# Name: 1HY7_min # Creating user name: Agnese Pozzi # Creation time: Fri Apr 10 16:12:57 2026 # Modifying user name: Agnese Pozzi # Modification time: Fri Apr 10 16:12:57 2026 @MOLECULE 1HY7_min 2669 2702 180 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.5 @ATOM 1 N -5.6790 59.2420 63.6970 N.4 1 PHE1 -0.0638 2 CA -6.1770 58.2410 62.7010 C.3 1 PHE1 0.1969 3 C -6.8990 58.8660 61.4930 C.2 1 PHE1 0.2318 4 O -7.4730 59.9550 61.6080 O.2 1 PHE1 -0.2773 5 CB -7.1850 57.2517 63.3448 C.3 1 PHE1 0.0088 6 CG -8.4086 57.9409 63.9053 C.ar 1 PHE1 -0.0449 7 CD1 -9.4925 58.2587 63.0867 C.ar 1 PHE1 -0.0585 8 CD2 -8.4809 58.2565 65.2583 C.ar 1 PHE1 -0.0585 9 CE1 -10.5986 58.9235 63.5990 C.ar 1 PHE1 -0.0615 10 CE2 -9.5878 58.9160 65.7747 C.ar 1 PHE1 -0.0615 11 CZ -10.6465 59.2542 64.9450 C.ar 1 PHE1 -0.0617 12 H1 -4.9556 59.8621 63.3015 H 1 PHE1 0.2751 13 H2 -5.2474 58.7193 64.4984 H 1 PHE1 0.2751 14 H3 -6.4696 59.7637 64.1189 H 1 PHE1 0.2751 15 HA -5.3106 57.6809 62.3441 H 1 PHE1 0.0694 16 HB1 -6.7170 56.6761 64.1426 H 1 PHE1 0.0338 17 HB2 -7.5065 56.5039 62.6177 H 1 PHE1 0.0338 18 HD1 -9.4819 57.9923 62.0397 H 1 PHE1 0.0620 19 HD2 -7.6819 57.9707 65.9264 H 1 PHE1 0.0620 20 HE1 -11.4231 59.1823 62.9512 H 1 PHE1 0.0618 21 HE2 -9.6249 59.1617 66.8257 H 1 PHE1 0.0618 22 HZ -11.5095 59.7632 65.3490 H 1 PHE1 0.0618 23 N -6.9040 58.1710 60.3540 N.am 2 ARG2 -0.2452 24 CA -7.7190 58.6100 59.1960 C.3 2 ARG2 0.0879 25 C -8.5280 57.4900 58.5660 C.2 2 ARG2 0.2187 26 O -8.2340 56.3030 58.7650 O.2 2 ARG2 -0.2778 27 CB -6.7964 59.2023 58.1075 C.3 2 ARG2 -0.0258 28 CG -6.3082 60.6271 58.4055 C.3 2 ARG2 -0.0154 29 CD -5.6009 61.2440 57.1883 C.3 2 ARG2 0.1045 30 NE -5.3647 62.6747 57.4021 N.pl3 2 ARG2 -0.4450 31 CZ -4.9407 63.5056 56.4493 C.cat 2 ARG2 0.5062 32 NH1 -4.7747 64.7719 56.7251 N.pl3 2 ARG2 -0.4573 33 NH2 -4.6872 63.0817 55.2386 N.pl3 2 ARG2 -0.4573 34 H -6.3390 57.3250 60.2790 H 2 ARG2 0.1312 35 HA -8.4456 59.3546 59.5281 H 2 ARG2 0.0557 36 HB1 -7.3259 59.2427 57.1531 H 2 ARG2 0.0286 37 HB2 -5.9459 58.5387 57.9426 H 2 ARG2 0.0286 38 HG1 -5.6456 60.6274 59.2714 H 2 ARG2 0.0299 39 HG2 -7.1671 61.2457 58.6691 H 2 ARG2 0.0299 40 HD1 -6.2265 61.1320 56.2980 H 2 ARG2 0.0711 41 HD2 -4.6404 60.7549 57.0050 H 2 ARG2 0.0711 42 HE -5.5317 63.0651 58.3062 H 2 ARG2 0.3153 43 HH11 -4.4580 65.4013 56.0181 H 2 ARG2 0.3114 44 HH12 -4.9643 65.1190 57.6405 H 2 ARG2 0.3114 45 HH21 -4.3713 63.7153 54.5353 H 2 ARG2 0.3114 46 HH22 -4.8111 62.1185 55.0152 H 2 ARG2 0.3114 47 N -9.4960 57.8860 57.7340 N.am 3 THR3 -0.2434 48 CA -10.3340 56.9850 56.9650 C.3 3 THR3 0.1135 49 C -10.2120 57.2930 55.4590 C.2 3 THR3 0.2212 50 O -9.5190 58.2490 55.0790 O.2 3 THR3 -0.2777 51 CB -11.7717 57.1422 57.4906 C.3 3 THR3 0.0763 52 OG1 -12.0700 58.5304 57.5086 O.3 3 THR3 -0.3900 53 CG2 -11.8996 56.5359 58.9021 C.3 3 THR3 -0.0370 54 H -9.6560 58.8880 57.6330 H 3 THR3 0.1313 55 HA -9.9913 55.9589 57.1109 H 3 THR3 0.0583 56 HB -12.4621 56.6257 56.8145 H 3 THR3 0.0611 57 HG1 -12.9061 58.6885 57.9331 H 3 THR3 0.2098 58 HG21 -12.9132 56.6126 59.2925 H 3 THR3 0.0255 59 HG22 -11.2430 57.0351 59.6145 H 3 THR3 0.0255 60 HG23 -11.6335 55.4788 58.8953 H 3 THR3 0.0255 61 N -10.8240 56.4610 54.6120 N.am 4 PHE4 -0.2453 62 CA -10.7860 56.6360 53.1530 C.3 4 PHE4 0.0920 63 C -11.8380 57.6540 52.7130 C.2 4 PHE4 0.2217 64 O -12.8060 57.8860 53.4270 O.2 4 PHE4 -0.2776 65 CB -11.0330 55.2756 52.4784 C.3 4 PHE4 -0.0036 66 CG -9.9200 54.2917 52.7110 C.ar 4 PHE4 -0.0454 67 CD1 -10.0088 53.3713 53.7486 C.ar 4 PHE4 -0.0585 68 CD2 -8.8285 54.2363 51.8502 C.ar 4 PHE4 -0.0585 69 CE1 -9.0317 52.4022 53.9197 C.ar 4 PHE4 -0.0615 70 CE2 -7.8492 53.2652 52.0176 C.ar 4 PHE4 -0.0615 71 CZ -7.9497 52.3475 53.0542 C.ar 4 PHE4 -0.0617 72 H -11.3410 55.6690 54.9940 H 4 PHE4 0.1312 73 HA -9.7858 56.9961 52.9220 H 4 PHE4 0.0560 74 HB1 -11.1770 55.3815 51.4039 H 4 PHE4 0.0333 75 HB2 -11.9475 54.8322 52.8598 H 4 PHE4 0.0333 76 HD1 -10.8592 53.3960 54.4129 H 4 PHE4 0.0620 77 HD2 -8.7534 54.9347 51.0294 H 4 PHE4 0.0620 78 HE1 -9.1227 51.6836 54.7208 H 4 PHE4 0.0618 79 HE2 -7.0137 53.2175 51.3349 H 4 PHE4 0.0618 80 HZ -7.1966 51.5843 53.1835 H 4 PHE4 0.0618 81 N -11.6530 58.2540 51.5250 N.am 5 PRO5 -0.2316 82 CA -12.5920 59.2640 51.0200 C.3 5 PRO5 0.0907 83 C -14.0130 58.7530 50.9340 C.2 5 PRO5 0.2187 84 O -14.2580 57.7120 50.3020 O.2 5 PRO5 -0.2778 85 CB -12.0416 59.6099 49.6278 C.3 5 PRO5 -0.0276 86 CG -10.5712 59.2113 49.6758 C.3 5 PRO5 -0.0379 87 CD -10.5222 58.0156 50.6251 C.3 5 PRO5 0.0071 88 HA -12.5278 60.1167 51.6975 H 5 PRO5 0.0559 89 HB1 -12.1821 60.6607 49.3737 H 5 PRO5 0.0285 90 HB2 -12.5301 59.0188 48.8507 H 5 PRO5 0.0285 91 HG1 -9.9891 60.0319 50.0965 H 5 PRO5 0.0278 92 HG2 -10.1624 58.9839 48.6910 H 5 PRO5 0.0278 93 HD1 -10.7045 57.0765 50.1023 H 5 PRO5 0.0431 94 HD2 -9.5757 57.9866 51.1621 H 5 PRO5 0.0431 95 N -14.9350 59.5000 51.5350 N.am 6 GLY6 -0.2485 96 CA -16.3380 59.1180 51.5860 C.3 6 GLY6 0.0765 97 C -16.5530 58.1520 52.7360 C.2 6 GLY6 0.2155 98 O -17.6340 57.5650 52.9040 O.2 6 GLY6 -0.2781 99 H -14.6480 60.3730 51.9770 H 6 GLY6 0.1309 100 HA1 -16.6290 58.6565 50.6411 H 6 GLY6 0.0521 101 HA2 -16.9248 60.0216 51.7460 H 6 GLY6 0.0521 102 N -15.4860 57.9820 53.5190 N.am 7 ILE7 -0.2456 103 CA -15.5170 57.0780 54.6560 C.3 7 ILE7 0.0906 104 C -16.2970 55.7880 54.3700 C.2 7 ILE7 0.2216 105 O -17.3210 55.5410 55.0060 O.2 7 ILE7 -0.2776 106 CB -16.0508 57.8194 55.9091 C.3 7 ILE7 -0.0201 107 CG1 -15.4508 59.2391 56.0235 C.3 7 ILE7 -0.0514 108 CG2 -15.7881 56.9946 57.1853 C.3 7 ILE7 -0.0605 109 CD1 -15.8683 59.9996 57.2886 C.3 7 ILE7 -0.0650 110 H -14.6300 58.4980 53.3150 H 7 ILE7 0.1312 111 HA -14.4799 56.8108 54.8494 H 7 ILE7 0.0560 112 HB -17.1299 57.9425 55.8027 H 7 ILE7 0.0318 113 HG11 -15.7688 59.8411 55.1721 H 7 ILE7 0.0266 114 HG12 -14.3646 59.1896 55.9590 H 7 ILE7 0.0266 115 HG21 -16.2392 57.4533 58.0640 H 7 ILE7 0.0233 116 HG22 -14.7207 56.8912 57.3701 H 7 ILE7 0.0233 117 HG23 -16.1994 55.9888 57.1156 H 7 ILE7 0.0233 118 HD11 -15.4936 61.0231 57.2620 H 7 ILE7 0.0230 119 HD12 -15.4753 59.5355 58.1923 H 7 ILE7 0.0230 120 HD13 -16.9538 60.0462 57.3764 H 7 ILE7 0.0230 121 N -15.8310 54.9710 53.4230 N.am 8 PRO8 -0.2316 122 CA -16.4820 53.6950 53.1290 C.3 8 PRO8 0.0907 123 C -16.3730 52.7840 54.3350 C.2 8 PRO8 0.2189 124 O -15.2790 52.7180 54.9340 O.2 8 PRO8 -0.2778 125 CB -15.6884 53.1532 51.9326 C.3 8 PRO8 -0.0276 126 CG -14.3347 53.8517 52.0217 C.3 8 PRO8 -0.0379 127 CD -14.6524 55.2262 52.6065 C.3 8 PRO8 0.0071 128 HA -17.5277 53.8847 52.8824 H 8 PRO8 0.0559 129 HB1 -16.1833 53.4536 51.0087 H 8 PRO8 0.0285 130 HB2 -15.5999 52.0656 51.9158 H 8 PRO8 0.0285 131 HG1 -13.8160 53.9062 51.0646 H 8 PRO8 0.0278 132 HG2 -13.6997 53.3070 52.7203 H 8 PRO8 0.0278 133 HD1 -13.8484 55.6216 53.2197 H 8 PRO8 0.0431 134 HD2 -14.9405 55.9380 51.8346 H 8 PRO8 0.0431 135 N -17.4530 52.0960 54.6910 N.am 9 LYS9 -0.2456 136 CA -17.3910 51.1710 55.8110 C.3 9 LYS9 0.0878 137 C -18.4100 50.1010 55.5300 C.2 9 LYS9 0.2187 138 O -19.3530 50.2850 54.7270 O.2 9 LYS9 -0.2778 139 CB -17.4772 51.8897 57.1677 C.3 9 LYS9 -0.0289 140 CG -18.7740 52.6532 57.4679 C.3 9 LYS9 -0.0496 141 CD -18.5282 53.7125 58.5571 C.3 9 LYS9 -0.0278 142 CE -19.8026 54.3298 59.1425 C.3 9 LYS9 0.1103 143 NZ -20.2863 53.5937 60.3120 N.4 9 LYS9 -0.0749 144 H -18.3260 52.2170 54.1780 H 9 LYS9 0.1312 145 HA -16.4315 50.6748 55.7692 H 9 LYS9 0.0557 146 HB1 -16.6421 52.5896 57.2026 H 9 LYS9 0.0285 147 HB2 -17.2878 51.1813 57.9729 H 9 LYS9 0.0285 148 HG1 -19.5450 51.9451 57.7736 H 9 LYS9 0.0266 149 HG2 -19.1396 53.1470 56.5665 H 9 LYS9 0.0266 150 HD1 -17.9240 54.5069 58.1154 H 9 LYS9 0.0282 151 HD2 -17.9241 53.2934 59.3627 H 9 LYS9 0.0282 152 HE1 -20.5959 54.3770 58.3935 H 9 LYS9 0.0559 153 HE2 -19.6023 55.3547 59.4633 H 9 LYS9 0.0559 154 HZ1 -21.1700 54.0119 60.6651 H 9 LYS9 0.2742 155 HZ2 -19.5746 53.6352 61.0718 H 9 LYS9 0.2742 156 HZ3 -20.4383 52.5940 60.0694 H 9 LYS9 0.2742 157 N -18.2140 48.9410 56.1340 N.am 10 TRP10 -0.2453 158 CA -19.1630 47.8610 55.9910 C.3 10 TRP10 0.0918 159 C -20.4980 48.1910 56.6690 C.2 10 TRP10 0.2190 160 O -20.5420 48.7670 57.7480 O.2 10 TRP10 -0.2778 161 CB -18.6109 46.5793 56.6506 C.3 10 TRP10 -0.0021 162 CG -17.3005 46.1407 56.0286 C.ar 10 TRP10 -0.0260 163 CD1 -16.0403 46.2167 56.6310 C.ar 10 TRP10 -0.0136 164 CD2 -17.1002 45.4943 54.7531 C.ar 10 TRP10 -0.0028 165 NE1 -15.1084 45.7144 55.7897 N.ar 10 TRP10 -0.2641 166 CE2 -15.7137 45.2395 54.6393 C.ar 10 TRP10 0.0269 167 CE3 -17.9459 45.1247 53.7412 C.ar 10 TRP10 -0.0528 168 CZ2 -15.2145 44.6300 53.5250 C.ar 10 TRP10 -0.0430 169 CZ3 -17.4388 44.5086 52.5955 C.ar 10 TRP10 -0.0611 170 CH2 -16.0690 44.2656 52.4849 C.ar 10 TRP10 -0.0602 171 H -17.3820 48.8070 56.7080 H 10 TRP10 0.1312 172 HA -19.3212 47.7021 54.9225 H 10 TRP10 0.0560 173 HB1 -19.3284 45.7625 56.5579 H 10 TRP10 0.0334 174 HB2 -18.4546 46.7313 57.7197 H 10 TRP10 0.0334 175 HD1 -15.8240 46.5977 57.6178 H 10 TRP10 0.0748 176 HE1 -14.1444 45.6789 55.9713 H 10 TRP10 0.1331 177 HE3 -19.0054 45.3107 53.8327 H 10 TRP10 0.0624 178 HZ2 -14.1536 44.4401 53.4745 H 10 TRP10 0.0633 179 HZ3 -18.1077 44.2140 51.7998 H 10 TRP10 0.0618 180 HH2 -15.6734 43.7854 51.6046 H 10 TRP10 0.0618 181 N -21.5830 47.7900 56.0330 N.am 11 ARG11 -0.2456 182 CA -22.9090 48.0110 56.5900 C.3 11 ARG11 0.0879 183 C -23.3060 46.9030 57.5440 C.2 11 ARG11 0.2187 184 O -24.0910 47.1190 58.4730 O.2 11 ARG11 -0.2778 185 CB -23.9398 48.1253 55.4518 C.3 11 ARG11 -0.0258 186 CG -23.7469 49.3911 54.5982 C.3 11 ARG11 -0.0154 187 CD -24.7848 49.5438 53.4742 C.3 11 ARG11 0.1045 188 NE -26.1365 49.6702 54.0299 N.pl3 11 ARG11 -0.4450 189 CZ -27.2200 49.9503 53.3058 C.cat 11 ARG11 0.5062 190 NH1 -27.1443 50.1500 52.0161 N.pl3 11 ARG11 -0.4573 191 NH2 -28.3840 50.0280 53.8939 N.pl3 11 ARG11 -0.4573 192 H -21.4900 47.3160 55.1340 H 11 ARG11 0.1312 193 HA -22.8968 48.9422 57.1603 H 11 ARG11 0.0557 194 HB1 -24.9435 48.1357 55.8791 H 11 ARG11 0.0286 195 HB2 -23.8868 47.2395 54.8171 H 11 ARG11 0.0286 196 HG1 -22.7496 49.3813 54.1561 H 11 ARG11 0.0299 197 HG2 -23.7818 50.2717 55.2406 H 11 ARG11 0.0299 198 HD1 -24.7667 48.6770 52.8082 H 11 ARG11 0.0711 199 HD2 -24.5662 50.4397 52.8867 H 11 ARG11 0.0711 200 HE -26.2786 49.5409 55.0104 H 11 ARG11 0.3153 201 HH11 -27.9649 50.3563 51.4874 H 11 ARG11 0.3114 202 HH12 -26.2614 50.0969 51.5577 H 11 ARG11 0.3114 203 HH21 -29.2013 50.2414 53.3628 H 11 ARG11 0.3114 204 HH22 -28.4658 49.8749 54.8762 H 11 ARG11 0.3114 205 N -22.7140 45.7330 57.3740 N.am 12 LYS12 -0.2457 206 CA -23.0300 44.6050 58.2400 C.3 12 LYS12 0.0878 207 C -21.9840 44.4470 59.3500 C.2 12 LYS12 0.2187 208 O -20.9040 44.9950 59.2320 O.2 12 LYS12 -0.2778 209 CB -23.1882 43.3225 57.4010 C.3 12 LYS12 -0.0289 210 CG -22.0257 43.0274 56.4408 C.3 12 LYS12 -0.0496 211 CD -22.2064 41.6827 55.7180 C.3 12 LYS12 -0.0278 212 CE -21.1340 41.4283 54.6509 C.3 12 LYS12 0.1103 213 NZ -21.0102 40.0271 54.2674 N.4 12 LYS12 -0.0749 214 H -22.0280 45.6190 56.6280 H 12 LYS12 0.1312 215 HA -23.9845 44.7900 58.7376 H 12 LYS12 0.0557 216 HB1 -24.1048 43.4034 56.8161 H 12 LYS12 0.0285 217 HB2 -23.3371 42.4691 58.0649 H 12 LYS12 0.0285 218 HG1 -21.0914 43.0206 57.0010 H 12 LYS12 0.0266 219 HG2 -21.9393 43.8248 55.7025 H 12 LYS12 0.0266 220 HD1 -23.1912 41.6407 55.2516 H 12 LYS12 0.0282 221 HD2 -22.1933 40.8818 56.4555 H 12 LYS12 0.0282 222 HE1 -20.1517 41.7440 55.0030 H 12 LYS12 0.0559 223 HE2 -21.3394 42.0092 53.7507 H 12 LYS12 0.0559 224 HZ1 -20.2911 39.9492 53.5119 H 12 LYS12 0.2742 225 HZ2 -21.9082 39.6155 53.9622 H 12 LYS12 0.2742 226 HZ3 -20.5721 39.4902 55.0440 H 12 LYS12 0.2742 227 N -22.3230 43.7340 60.4180 N.am 13 THR13 -0.2434 228 CA -21.4190 43.5580 61.5590 C.3 13 THR13 0.1135 229 C -20.6580 42.2570 61.4800 C.2 13 THR13 0.2212 230 O -19.6580 42.0810 62.1790 O.2 13 THR13 -0.2777 231 CB -22.2209 43.6024 62.8726 C.3 13 THR13 0.0763 232 OG1 -23.2793 42.6589 62.7850 O.3 13 THR13 -0.3900 233 CG2 -22.7779 45.0092 63.1402 C.3 13 THR13 -0.0370 234 H -23.2430 43.2940 60.4450 H 13 THR13 0.1313 235 HA -20.6869 44.3650 61.5549 H 13 THR13 0.0583 236 HB -21.5462 43.3338 63.6973 H 13 THR13 0.0611 237 HG1 -23.7613 42.6196 63.6061 H 13 THR13 0.2098 238 HG21 -23.2700 45.0693 64.1113 H 13 THR13 0.0255 239 HG22 -23.5028 45.2994 62.3795 H 13 THR13 0.0255 240 HG23 -21.9771 45.7489 63.1382 H 13 THR13 0.0255 241 N -21.1500 41.3210 60.6930 N.am 14 HIS14 -0.2452 242 CA -20.5010 40.0300 60.5590 C.3 14 HIS14 0.0932 243 C -19.9620 39.9630 59.1400 C.2 14 HIS14 0.2190 244 O -20.7150 40.1460 58.1840 O.2 14 HIS14 -0.2778 245 CB -21.5110 38.9026 60.8319 C.3 14 HIS14 0.0146 246 CG -20.9544 37.5755 60.3602 C.ar 14 HIS14 0.0551 247 ND1 -21.3990 36.9455 59.2509 N.ar 14 HIS14 -0.2469 248 CD2 -19.7863 36.9272 60.7968 C.ar 14 HIS14 0.0047 249 CE1 -20.5327 35.9463 59.0216 C.ar 14 HIS14 0.0737 250 NE2 -19.5529 35.9064 59.9413 N.ar 14 HIS14 -0.2539 251 H -22.0040 41.5080 60.1680 H 14 HIS14 0.1312 252 HA -19.6712 39.9455 61.2616 H 14 HIS14 0.0561 253 HB1 -22.4494 39.0957 60.3114 H 14 HIS14 0.0348 254 HB2 -21.7370 38.8454 61.8966 H 14 HIS14 0.0348 255 HD2 -19.1515 37.2345 61.6147 H 14 HIS14 0.0764 256 HE1 -20.5987 35.2820 58.1722 H 14 HIS14 0.0963 257 HE2 -18.7849 35.2975 59.9494 H 14 HIS14 0.1339 258 N -18.6650 39.6710 59.0320 N.am 15 LEU15 -0.2456 259 CA -17.9740 39.6120 57.7340 C.3 15 LEU15 0.0880 260 C -17.4180 38.2430 57.5270 C.2 15 LEU15 0.2187 261 O -17.0760 37.5490 58.4940 O.2 15 LEU15 -0.2778 262 CB -16.8390 40.6562 57.7417 C.3 15 LEU15 -0.0266 263 CG -17.2994 42.0973 58.0418 C.3 15 LEU15 -0.0449 264 CD1 -16.1034 43.0434 58.2060 C.3 15 LEU15 -0.0626 265 CD2 -18.2552 42.6180 56.9659 C.3 15 LEU15 -0.0626 266 H -18.1320 39.4820 59.8810 H 15 LEU15 0.1312 267 HA -18.6853 39.8153 56.9343 H 15 LEU15 0.0557 268 HB1 -16.3086 40.6355 56.7882 H 15 LEU15 0.0287 269 HB2 -16.1143 40.3712 58.5029 H 15 LEU15 0.0287 270 HG -17.8324 42.1058 58.9936 H 15 LEU15 0.0296 271 HD11 -16.4365 44.0537 58.4425 H 15 LEU15 0.0232 272 HD12 -15.5003 43.0888 57.2988 H 15 LEU15 0.0232 273 HD13 -15.4612 42.7215 59.0245 H 15 LEU15 0.0232 274 HD21 -18.5791 43.6335 57.1902 H 15 LEU15 0.0232 275 HD22 -19.1449 41.9954 56.9196 H 15 LEU15 0.0232 276 HD23 -17.7869 42.6173 55.9811 H 15 LEU15 0.0232 277 N -17.2810 37.8280 56.2560 N.am 16 THR16 -0.2434 278 CA -16.6210 36.5810 55.9760 C.3 16 THR16 0.1135 279 C -15.2690 36.8660 55.3160 C.2 16 THR16 0.2212 280 O -15.0440 37.8790 54.6640 O.2 16 THR16 -0.2777 281 CB -17.5082 35.7629 55.0228 C.3 16 THR16 0.0763 282 OG1 -17.7852 36.4681 53.8282 O.3 16 THR16 -0.3900 283 CG2 -18.8141 35.3146 55.6917 C.3 16 THR16 -0.0370 284 H -17.6440 38.3960 55.4910 H 16 THR16 0.1313 285 HA -16.4644 36.0385 56.9006 H 16 THR16 0.0583 286 HB -16.9612 34.8658 54.7330 H 16 THR16 0.0611 287 HG1 -18.1654 37.3155 54.0481 H 16 THR16 0.2098 288 HG21 -19.4198 34.7207 55.0084 H 16 THR16 0.0255 289 HG22 -19.4172 36.1607 56.0217 H 16 THR16 0.0255 290 HG23 -18.6027 34.6999 56.5656 H 16 THR16 0.0255 291 N -14.3900 35.9110 55.5370 N.am 17 TYR17 -0.2453 292 CA -13.0830 35.9520 54.8560 C.3 17 TYR17 0.0917 293 C -12.7950 34.6020 54.2500 C.2 17 TYR17 0.2190 294 O -13.3460 33.5840 54.6440 O.2 17 TYR17 -0.2778 295 CB -11.9751 36.4130 55.8204 C.3 17 TYR17 -0.0036 296 CG -11.5871 35.3633 56.8315 C.ar 17 TYR17 -0.0453 297 CD1 -10.4506 34.5824 56.6342 C.ar 17 TYR17 -0.0561 298 CD2 -12.3578 35.1570 57.9714 C.ar 17 TYR17 -0.0561 299 CE1 -10.0825 33.6222 57.5664 C.ar 17 TYR17 -0.0317 300 CE2 -11.9895 34.2001 58.9083 C.ar 17 TYR17 -0.0317 301 CZ -10.8489 33.4359 58.7063 C.ar 17 TYR17 0.0726 302 OH -10.4887 32.4692 59.6209 O.3 17 TYR17 -0.3598 303 H -14.6120 35.1470 56.1760 H 17 TYR17 0.1312 304 HA -13.1551 36.6542 54.0267 H 17 TYR17 0.0560 305 HB1 -12.2957 37.3140 56.3449 H 17 TYR17 0.0333 306 HB2 -11.0894 36.6995 55.2511 H 17 TYR17 0.0333 307 HD1 -9.8476 34.7179 55.7487 H 17 TYR17 0.0621 308 HD2 -13.2496 35.7444 58.1341 H 17 TYR17 0.0621 309 HE1 -9.1960 33.0241 57.4136 H 17 TYR17 0.0643 310 HE2 -12.5910 34.0521 59.7933 H 17 TYR17 0.0643 311 HH -10.8558 32.6836 60.4706 H 17 TYR17 0.2173 312 N -11.8260 34.5930 53.3420 N.am 18 ARG18 -0.2456 313 CA -11.4390 33.3620 52.6900 C.3 18 ARG18 0.0879 314 C -9.9570 33.4660 52.3190 C.2 18 ARG18 0.2187 315 O -9.5720 34.4390 51.7280 O.2 18 ARG18 -0.2778 316 CB -12.3404 33.2406 51.4333 C.3 18 ARG18 -0.0258 317 CG -11.9033 32.3158 50.2751 C.3 18 ARG18 -0.0154 318 CD -12.9731 32.3144 49.1592 C.3 18 ARG18 0.1045 319 NE -12.4923 31.7424 47.8870 N.pl3 18 ARG18 -0.4450 320 CZ -12.8013 32.2356 46.6742 C.cat 18 ARG18 0.5062 321 NH1 -13.4311 33.3540 46.5166 N.pl3 18 ARG18 -0.4573 322 NH2 -12.4823 31.6002 45.5852 N.pl3 18 ARG18 -0.4573 323 H -11.3500 35.4630 53.1020 H 18 ARG18 0.1312 324 HA -11.5741 32.5173 53.3692 H 18 ARG18 0.0557 325 HB1 -12.4596 34.2378 51.0070 H 18 ARG18 0.0286 326 HB2 -13.3334 32.9374 51.7644 H 18 ARG18 0.0286 327 HG1 -11.7352 31.3011 50.6369 H 18 ARG18 0.0299 328 HG2 -10.9556 32.6681 49.8680 H 18 ARG18 0.0299 329 HD1 -13.3418 33.3283 48.9970 H 18 ARG18 0.0711 330 HD2 -13.8387 31.7213 49.4657 H 18 ARG18 0.0711 331 HE -11.9278 30.9234 47.8925 H 18 ARG18 0.3153 332 HH11 -13.7241 33.7083 45.6172 H 18 ARG18 0.3114 333 HH12 -13.6784 33.9313 47.2842 H 18 ARG18 0.3114 334 HH21 -12.7800 32.0297 44.7313 H 18 ARG18 0.3114 335 HH22 -11.9853 30.7418 45.5951 H 18 ARG18 0.3114 336 N -9.1640 32.4560 52.6810 N.am 19 ILE19 -0.2454 337 CA -7.7430 32.4200 52.2840 C.3 19 ILE19 0.0903 338 C -7.6900 31.6130 50.9950 C.2 19 ILE19 0.2189 339 O -7.9570 30.4240 50.9530 O.2 19 ILE19 -0.2778 340 CB -6.8925 31.8363 53.4340 C.3 19 ILE19 -0.0201 341 CG1 -6.9581 32.7649 54.6683 C.3 19 ILE19 -0.0514 342 CG2 -5.4315 31.6023 53.0041 C.3 19 ILE19 -0.0605 343 CD1 -6.3783 32.1416 55.9426 C.3 19 ILE19 -0.0650 344 H -9.5460 31.6950 53.2420 H 19 ILE19 0.1312 345 HA -7.4037 33.4365 52.0764 H 19 ILE19 0.0560 346 HB -7.3156 30.8701 53.7118 H 19 ILE19 0.0318 347 HG11 -7.9913 33.0383 54.8812 H 19 ILE19 0.0266 348 HG12 -6.4413 33.7013 54.4531 H 19 ILE19 0.0266 349 HG21 -4.8414 31.1681 53.8112 H 19 ILE19 0.0233 350 HG22 -4.9521 32.5356 52.7070 H 19 ILE19 0.0233 351 HG23 -5.3634 30.9125 52.1629 H 19 ILE19 0.0233 352 HD11 -6.4996 32.8066 56.7952 H 19 ILE19 0.0230 353 HD12 -5.3139 31.9282 55.8467 H 19 ILE19 0.0230 354 HD13 -6.8883 31.2126 56.1881 H 19 ILE19 0.0230 355 N -7.4050 32.3400 49.9220 N.am 20 VAL20 -0.2454 356 CA -7.5620 31.8220 48.5730 C.3 20 VAL20 0.0901 357 C -6.4070 30.9460 48.1200 C.2 20 VAL20 0.2189 358 O -6.5660 30.0250 47.3020 O.2 20 VAL20 -0.2778 359 CB -7.6892 33.0451 47.6372 C.3 20 VAL20 -0.0227 360 CG1 -7.9324 32.6539 46.1700 C.3 20 VAL20 -0.0608 361 CG2 -8.7968 34.0014 48.1010 C.3 20 VAL20 -0.0608 362 H -7.0650 33.2930 50.0480 H 20 VAL20 0.1312 363 HA -8.4797 31.2326 48.5439 H 20 VAL20 0.0560 364 HB -6.7503 33.5982 47.6817 H 20 VAL20 0.0315 365 HG11 -8.0536 33.5403 45.5466 H 20 VAL20 0.0233 366 HG12 -8.8356 32.0521 46.0682 H 20 VAL20 0.0233 367 HG13 -7.0989 32.0851 45.7580 H 20 VAL20 0.0233 368 HG21 -8.8359 34.8799 47.4585 H 20 VAL20 0.0233 369 HG22 -8.6530 34.3690 49.1163 H 20 VAL20 0.0233 370 HG23 -9.7633 33.5022 48.0627 H 20 VAL20 0.0233 371 N -5.2310 31.2590 48.6550 N.am 21 ASN21 -0.2452 372 CA -4.0290 30.5060 48.3190 C.3 21 ASN21 0.0957 373 C -3.0500 30.6310 49.4650 C.2 21 ASN21 0.2191 374 O -3.2860 31.3530 50.4420 O.2 21 ASN21 -0.2778 375 CB -3.4358 30.9516 46.9680 C.3 21 ASN21 0.0446 376 CG -2.9760 32.4118 46.9975 C.2 21 ASN21 0.2000 377 OD1 -3.7579 33.3158 47.2446 O.2 21 ASN21 -0.2797 378 ND2 -1.6736 32.5863 46.7332 N.am 21 ASN21 -0.2723 379 H -5.1690 32.0380 49.3110 H 21 ASN21 0.1312 380 HA -4.3127 29.4538 48.2665 H 21 ASN21 0.0562 381 HB1 -4.1849 30.8567 46.1826 H 21 ASN21 0.0375 382 HB2 -2.5995 30.3149 46.6784 H 21 ASN21 0.0375 383 HD21 -1.2967 33.5125 46.7091 H 21 ASN21 0.1266 384 HD22 -1.0532 31.8236 46.5559 H 21 ASN21 0.1266 385 N -1.9110 29.9610 49.3000 N.am 22 TYR22 -0.2453 386 CA -0.9470 29.8540 50.3940 C.3 22 TYR22 0.0917 387 C 0.4730 30.0850 49.8930 C.2 22 TYR22 0.2191 388 O 0.8580 29.6580 48.8140 O.2 22 TYR22 -0.2778 389 CB -1.0345 28.4671 51.0500 C.3 22 TYR22 -0.0036 390 CG -2.2812 28.2977 51.8783 C.ar 22 TYR22 -0.0453 391 CD1 -3.4678 27.8505 51.3039 C.ar 22 TYR22 -0.0561 392 CD2 -2.2530 28.5715 53.2429 C.ar 22 TYR22 -0.0561 393 CE1 -4.5960 27.6481 52.0884 C.ar 22 TYR22 -0.0317 394 CE2 -3.3714 28.3451 54.0329 C.ar 22 TYR22 -0.0317 395 CZ -4.5389 27.8691 53.4559 C.ar 22 TYR22 0.0726 396 OH -5.6353 27.5876 54.2404 O.3 22 TYR22 -0.3598 397 H -1.7100 29.5190 48.4030 H 22 TYR22 0.1312 398 HA -1.1512 30.6299 51.1360 H 22 TYR22 0.0560 399 HB1 -0.1749 28.3035 51.7039 H 22 TYR22 0.0333 400 HB2 -0.9892 27.6868 50.2898 H 22 TYR22 0.0333 401 HD1 -3.5153 27.6706 50.2402 H 22 TYR22 0.0621 402 HD2 -1.3469 28.9347 53.7071 H 22 TYR22 0.0621 403 HE1 -5.5210 27.3129 51.6449 H 22 TYR22 0.0643 404 HE2 -3.3294 28.5260 55.0985 H 22 TYR22 0.0643 405 HH -5.4149 27.7971 55.1508 H 22 TYR22 0.2173 406 N 1.2550 30.7310 50.7260 N.am 23 THR23 -0.2434 407 CA 2.6510 31.0390 50.4430 C.3 23 THR23 0.1137 408 C 3.5600 29.8220 50.6220 C.2 23 THR23 0.2239 409 O 3.3490 29.0320 51.4780 O.2 23 THR23 -0.2775 410 CB 3.0652 32.1324 51.4618 C.3 23 THR23 0.0763 411 OG1 4.4096 32.5373 51.3118 O.3 23 THR23 -0.3900 412 CG2 2.9332 31.7170 52.9356 C.3 23 THR23 -0.0370 413 H 0.8650 31.0330 51.6190 H 23 THR23 0.1313 414 HA 2.6735 31.4368 49.4333 H 23 THR23 0.0583 415 HB 2.4021 32.9919 51.3214 H 23 THR23 0.0611 416 HG1 4.5063 33.0009 50.4802 H 23 THR23 0.2098 417 HG21 3.2049 32.5466 53.5886 H 23 THR23 0.0255 418 HG22 3.5925 30.8858 53.1834 H 23 THR23 0.0255 419 HG23 1.9145 31.4293 53.1843 H 23 THR23 0.0255 420 N 4.5950 29.7060 49.8180 N.am 24 PRO24 -0.2315 421 CA 5.5560 28.6320 50.0810 C.3 24 PRO24 0.0907 422 C 6.3230 28.8960 51.3860 C.2 24 PRO24 0.2189 423 O 6.9730 27.9720 51.8750 O.2 24 PRO24 -0.2778 424 CB 6.5116 28.7077 48.8762 C.3 24 PRO24 -0.0276 425 CG 5.7952 29.5620 47.8320 C.3 24 PRO24 -0.0379 426 CD 4.9065 30.5065 48.6359 C.3 24 PRO24 0.0071 427 HA 5.0216 27.6821 50.1261 H 24 PRO24 0.0559 428 HB1 6.7707 27.7200 48.4952 H 24 PRO24 0.0285 429 HB2 7.4462 29.2060 49.1413 H 24 PRO24 0.0285 430 HG1 5.1679 28.9220 47.2109 H 24 PRO24 0.0278 431 HG2 6.4833 30.0940 47.1750 H 24 PRO24 0.0278 432 HD1 5.4549 31.3892 48.9596 H 24 PRO24 0.0431 433 HD2 4.0126 30.7783 48.0761 H 24 PRO24 0.0431 434 N 6.2430 30.1200 51.9310 N.am 25 ASP25 -0.2451 435 CA 7.1800 30.5280 53.0260 C.3 25 ASP25 0.0974 436 C 6.8820 29.8730 54.3750 C.2 25 ASP25 0.2192 437 O 7.7710 29.8010 55.2090 O.2 25 ASP25 -0.2778 438 CB 7.0950 32.0310 53.2850 C.3 25 ASP25 0.0576 439 CG 7.4000 32.8700 52.0800 C.2 25 ASP25 0.1780 440 OD1 7.9080 32.3200 51.0140 O.co2 25 ASP25 -0.6478 441 OD2 7.2080 34.0900 52.1070 O.co2 25 ASP25 -0.6478 442 H 5.5380 30.7780 51.5970 H 25 ASP25 0.1312 443 HA 8.2220 30.2720 52.7230 H 25 ASP25 0.0563 444 HB1 7.7490 32.3200 54.1410 H 25 ASP25 0.0394 445 HB2 6.0440 32.2540 53.5840 H 25 ASP25 0.0394 446 N 5.6540 29.4200 54.5910 N.am 26 LEU26 -0.2456 447 CA 5.1850 28.9450 55.9000 C.3 26 LEU26 0.0883 448 C 4.2520 27.7550 55.6990 C.2 26 LEU26 0.2214 449 O 3.5870 27.6570 54.6530 O.2 26 LEU26 -0.2776 450 CB 4.3754 30.0778 56.5682 C.3 26 LEU26 -0.0266 451 CG 5.2210 31.2356 57.1262 C.3 26 LEU26 -0.0449 452 CD1 4.3304 32.4405 57.4627 C.3 26 LEU26 -0.0626 453 CD2 6.0152 30.7908 58.3625 C.3 26 LEU26 -0.0626 454 H 5.0010 29.4000 53.8070 H 26 LEU26 0.1312 455 HA 6.0541 28.6521 56.4825 H 26 LEU26 0.0557 456 HB1 3.7666 29.6821 57.3811 H 26 LEU26 0.0287 457 HB2 3.6640 30.4684 55.8382 H 26 LEU26 0.0287 458 HG 5.9260 31.5588 56.3604 H 26 LEU26 0.0296 459 HD11 4.9178 33.2678 57.8607 H 26 LEU26 0.0232 460 HD12 3.5754 32.1785 58.2047 H 26 LEU26 0.0232 461 HD13 3.8129 32.8028 56.5738 H 26 LEU26 0.0232 462 HD21 6.5856 31.6162 58.7838 H 26 LEU26 0.0232 463 HD22 6.7234 29.9997 58.1179 H 26 LEU26 0.0232 464 HD23 5.3505 30.4159 59.1415 H 26 LEU26 0.0232 465 N 4.0910 26.8990 56.7060 N.am 27 PRO27 -0.2316 466 CA 3.0530 25.8620 56.6550 C.3 27 PRO27 0.0907 467 C 1.6530 26.5270 56.5840 C.2 27 PRO27 0.2189 468 O 1.4310 27.6300 57.1040 O.2 27 PRO27 -0.2778 469 CB 3.2125 25.1424 58.0044 C.3 27 PRO27 -0.0276 470 CG 4.6150 25.4852 58.4919 C.3 27 PRO27 -0.0379 471 CD 4.8986 26.8736 57.9226 C.3 27 PRO27 0.0071 472 HA 3.2493 25.2186 55.7973 H 27 PRO27 0.0559 473 HB1 3.0370 24.0688 57.9361 H 27 PRO27 0.0285 474 HB2 2.5095 25.5349 58.7410 H 27 PRO27 0.0285 475 HG1 5.3242 24.7684 58.0773 H 27 PRO27 0.0278 476 HG2 4.6982 25.4487 59.5784 H 27 PRO27 0.0278 477 HD1 4.5416 27.6742 58.5716 H 27 PRO27 0.0431 478 HD2 5.9573 26.9922 57.6943 H 27 PRO27 0.0431 479 N 0.7170 25.8450 55.9500 N.am 28 LYS28 -0.2456 480 CA -0.6400 26.3760 55.8730 C.3 28 LYS28 0.0878 481 C -1.2110 26.7540 57.2040 C.2 28 LYS28 0.2187 482 O -1.8720 27.7870 57.3300 O.2 28 LYS28 -0.2778 483 CB -1.5995 25.3403 55.2745 C.3 28 LYS28 -0.0289 484 CG -1.3827 25.0510 53.7889 C.3 28 LYS28 -0.0496 485 CD -2.6338 24.3761 53.2193 C.3 28 LYS28 -0.0278 486 CE -2.6016 24.2011 51.7042 C.3 28 LYS28 0.1103 487 NZ -3.9097 23.7536 51.2264 N.4 28 LYS28 -0.0749 488 H 0.9420 24.9500 55.5150 H 28 LYS28 0.1312 489 HA -0.5942 27.2777 55.2624 H 28 LYS28 0.0557 490 HB1 -2.6214 25.7078 55.3976 H 28 LYS28 0.0285 491 HB2 -1.5490 24.4090 55.8418 H 28 LYS28 0.0285 492 HG1 -0.4993 24.4270 53.6491 H 28 LYS28 0.0266 493 HG2 -1.1920 25.9828 53.2583 H 28 LYS28 0.0266 494 HD1 -3.5031 24.9831 53.4789 H 28 LYS28 0.0282 495 HD2 -2.7803 23.4112 53.7072 H 28 LYS28 0.0282 496 HE1 -1.8448 23.4696 51.4127 H 28 LYS28 0.0559 497 HE2 -2.3590 25.1454 51.2123 H 28 LYS28 0.0559 498 HZ1 -3.8949 23.6380 50.1928 H 28 LYS28 0.2742 499 HZ2 -4.6314 24.4572 51.4893 H 28 LYS28 0.2742 500 HZ3 -4.1519 22.8467 51.6762 H 28 LYS28 0.2742 501 N -0.9800 25.9200 58.2200 N.am 29 ASP29 -0.2451 502 CA -1.5190 26.2140 59.5280 C.3 29 ASP29 0.0974 503 C -1.0180 27.5260 60.1260 C.2 29 ASP29 0.2192 504 O -1.7570 28.2040 60.8650 O.2 29 ASP29 -0.2778 505 CB -1.1358 25.0483 60.4633 C.3 29 ASP29 0.0576 506 CG 0.3602 24.6872 60.3510 C.2 29 ASP29 0.1780 507 OD1 0.7004 23.8671 59.4970 O.co2 29 ASP29 -0.6478 508 OD2 1.1644 25.2299 61.1088 O.co2 29 ASP29 -0.6478 509 H -0.4240 25.0770 58.0730 H 29 ASP29 0.1312 510 HA -2.6034 26.2776 59.4314 H 29 ASP29 0.0563 511 HB1 -1.7080 24.1610 60.1960 H 29 ASP29 0.0394 512 HB2 -1.3735 25.2698 61.5035 H 29 ASP29 0.0394 513 N 0.2260 27.8720 59.8480 N.am 30 ALA30 -0.2459 514 CA 0.7840 29.1050 60.3750 C.3 30 ALA30 0.0850 515 C 0.1620 30.3250 59.6870 C.2 30 ALA30 0.2184 516 O -0.0150 31.3790 60.2970 O.2 30 ALA30 -0.2778 517 CB 2.2991 29.0710 60.1513 C.3 30 ALA30 -0.0411 518 H 0.7990 27.2690 59.2590 H 30 ALA30 0.1312 519 HA 0.5592 29.1422 61.4419 H 30 ALA30 0.0554 520 HB1 2.7843 29.9674 60.5375 H 30 ALA30 0.0249 521 HB2 2.5344 28.9858 59.0911 H 30 ALA30 0.0249 522 HB3 2.7392 28.2070 60.6505 H 30 ALA30 0.0249 523 N -0.1250 30.1830 58.3810 N.am 31 VAL31 -0.2454 524 CA -0.8520 31.2330 57.6540 C.3 31 VAL31 0.0901 525 C -2.2410 31.4220 58.2410 C.2 31 VAL31 0.2189 526 O -2.6620 32.5420 58.5800 O.2 31 VAL31 -0.2778 527 CB -0.9186 30.8465 56.1589 C.3 31 VAL31 -0.0227 528 CG1 -1.7675 31.8212 55.3253 C.3 31 VAL31 -0.0608 529 CG2 0.4856 30.7148 55.5486 C.3 31 VAL31 -0.0608 530 H 0.1650 29.3370 57.8900 H 31 VAL31 0.1312 531 HA -0.2961 32.1615 57.7819 H 31 VAL31 0.0560 532 HB -1.3924 29.8677 56.0854 H 31 VAL31 0.0315 533 HG11 -1.7834 31.5193 54.2785 H 31 VAL31 0.0233 534 HG12 -1.3727 32.8354 55.3784 H 31 VAL31 0.0233 535 HG13 -2.8040 31.8458 55.6630 H 31 VAL31 0.0233 536 HG21 0.4237 30.3973 54.5083 H 31 VAL31 0.0233 537 HG22 1.0911 29.9744 56.0710 H 31 VAL31 0.0233 538 HG23 1.0210 31.6643 55.5791 H 31 VAL31 0.0233 539 N -2.9390 30.3070 58.4370 N.am 32 ASP32 -0.2451 540 CA -4.2790 30.4240 59.0040 C.3 32 ASP32 0.0974 541 C -4.2520 31.0620 60.4040 C.2 32 ASP32 0.2193 542 O -5.0970 31.9090 60.7160 O.2 32 ASP32 -0.2778 543 CB -4.9009 29.0145 59.0003 C.3 32 ASP32 0.0576 544 CG -5.3529 28.5545 57.5898 C.2 32 ASP32 0.1780 545 OD1 -5.8707 27.4517 57.4462 O.co2 32 ASP32 -0.6478 546 OD2 -5.2359 29.2845 56.6148 O.co2 32 ASP32 -0.6478 547 H -2.5490 29.3950 58.1980 H 32 ASP32 0.1312 548 HA -4.8516 31.0919 58.3575 H 32 ASP32 0.0563 549 HB1 -5.7800 28.9877 59.6429 H 32 ASP32 0.0394 550 HB2 -4.1962 28.2825 59.3953 H 32 ASP32 0.0394 551 N -3.3040 30.6520 61.2440 N.am 33 SER33 -0.2436 552 CA -3.2210 31.2350 62.5920 C.3 33 SER33 0.1109 553 C -2.9160 32.7330 62.5690 C.2 33 SER33 0.2209 554 O -3.5190 33.5320 63.3360 O.2 33 SER33 -0.2777 555 CB -2.2458 30.4441 63.4671 C.3 33 SER33 0.0681 556 OG -2.3726 30.8393 64.8363 O.3 33 SER33 -0.3930 557 H -2.6380 29.9360 60.9540 H 33 SER33 0.1312 558 HA -4.2147 31.1346 63.0055 H 33 SER33 0.0580 559 HB1 -1.2225 30.5919 63.1020 H 33 SER33 0.0577 560 HB2 -2.4806 29.3778 63.3614 H 33 SER33 0.0577 561 HG -1.7477 30.3535 65.3723 H 33 SER33 0.2095 562 N -1.9810 33.1530 61.7080 N.am 34 ALA34 -0.2459 563 CA -1.6420 34.5750 61.6470 C.3 34 ALA34 0.0850 564 C -2.8570 35.3730 61.2040 C.2 34 ALA34 0.2184 565 O -3.1120 36.4640 61.7170 O.2 34 ALA34 -0.2778 566 CB -0.4878 34.7608 60.6533 C.3 34 ALA34 -0.0411 567 H -1.5080 32.4860 61.0980 H 34 ALA34 0.1312 568 HA -1.3502 34.8961 62.6481 H 34 ALA34 0.0554 569 HB1 -0.2022 35.8088 60.5636 H 34 ALA34 0.0249 570 HB2 -0.7584 34.4006 59.6594 H 34 ALA34 0.0249 571 HB3 0.3920 34.2026 60.9730 H 34 ALA34 0.0249 572 N -3.5690 34.8690 60.1890 N.am 35 VAL35 -0.2454 573 CA -4.7810 35.5570 59.7340 C.3 35 VAL35 0.0901 574 C -5.8480 35.6250 60.8360 C.2 35 VAL35 0.2189 575 O -6.4090 36.6950 61.0690 O.2 35 VAL35 -0.2778 576 CB -5.3178 34.8846 58.4494 C.3 35 VAL35 -0.0227 577 CG1 -6.6952 35.4305 58.0250 C.3 35 VAL35 -0.0608 578 CG2 -4.3258 35.0431 57.2851 C.3 35 VAL35 -0.0608 579 H -3.2690 34.0080 59.7330 H 35 VAL35 0.1312 580 HA -4.4923 36.5844 59.5048 H 35 VAL35 0.0560 581 HB -5.4279 33.8173 58.6498 H 35 VAL35 0.0315 582 HG11 -7.0136 35.0033 57.0745 H 35 VAL35 0.0233 583 HG12 -6.6701 36.5142 57.9083 H 35 VAL35 0.0233 584 HG13 -7.4682 35.1920 58.7560 H 35 VAL35 0.0233 585 HG21 -4.6722 34.5090 56.3999 H 35 VAL35 0.0233 586 HG22 -3.3386 34.6553 57.5318 H 35 VAL35 0.0233 587 HG23 -4.2067 36.0921 57.0128 H 35 VAL35 0.0233 588 N -6.1360 34.4780 61.4720 N.am 36 GLU36 -0.2456 589 CA -7.0950 34.4570 62.5870 C.3 36 GLU36 0.0883 590 C -6.7190 35.4920 63.6390 C.2 36 GLU36 0.2187 591 O -7.5920 36.2500 64.1230 O.2 36 GLU36 -0.2778 592 CB -6.9607 33.1558 63.4002 C.3 36 GLU36 -0.0193 593 CG -7.5343 31.8172 62.9253 C.3 36 GLU36 0.0356 594 CD -7.0300 30.8478 64.0174 C.2 36 GLU36 0.1760 595 OE1 -6.1133 30.0781 63.7823 O.co2 36 GLU36 -0.6478 596 OE2 -7.5028 30.8988 65.1468 O.co2 36 GLU36 -0.6478 597 H -5.6850 33.6120 61.1790 H 36 GLU36 0.1312 598 HA -8.1026 34.6371 62.2105 H 36 GLU36 0.0557 599 HB1 -7.4191 33.3151 64.3825 H 36 GLU36 0.0290 600 HB2 -5.8927 33.0054 63.5591 H 36 GLU36 0.0290 601 HG1 -7.1584 31.5176 61.9489 H 36 GLU36 0.0374 602 HG2 -8.6235 31.8195 62.9024 H 36 GLU36 0.0374 603 N -5.4470 35.4930 64.0290 N.am 37 LYS37 -0.2457 604 CA -5.0260 36.4390 65.0390 C.3 37 LYS37 0.0878 605 C -5.2050 37.8930 64.5850 C.2 37 LYS37 0.2187 606 O -5.5780 38.7520 65.3630 O.2 37 LYS37 -0.2778 607 CB -3.6181 36.0714 65.5521 C.3 37 LYS37 -0.0289 608 CG -3.5967 35.0450 66.7201 C.3 37 LYS37 -0.0496 609 CD -3.5622 33.5379 66.3641 C.3 37 LYS37 -0.0278 610 CE -4.9409 32.8563 66.2282 C.3 37 LYS37 0.1103 611 NZ -4.9353 31.5357 65.5818 N.4 37 LYS37 -0.0749 612 H -4.7800 34.8370 63.6220 H 37 LYS37 0.1312 613 HA -5.7212 36.3195 65.8721 H 37 LYS37 0.0557 614 HB1 -3.1588 36.9814 65.9390 H 37 LYS37 0.0285 615 HB2 -2.9761 35.7518 64.7302 H 37 LYS37 0.0285 616 HG1 -4.4010 35.2512 67.4274 H 37 LYS37 0.0266 617 HG2 -2.6809 35.2450 67.2785 H 37 LYS37 0.0266 618 HD1 -3.0358 33.0161 67.1641 H 37 LYS37 0.0282 619 HD2 -2.9321 33.3803 65.4955 H 37 LYS37 0.0282 620 HE1 -5.6349 33.4929 65.6866 H 37 LYS37 0.0559 621 HE2 -5.3775 32.7300 67.2202 H 37 LYS37 0.0559 622 HZ1 -5.8418 31.0329 65.7383 H 37 LYS37 0.2742 623 HZ2 -4.1436 30.9407 65.8843 H 37 LYS37 0.2742 624 HZ3 -4.9128 31.6141 64.5446 H 37 LYS37 0.2742 625 N -4.9540 38.1740 63.3170 N.am 38 ALA38 -0.2459 626 CA -5.0430 39.5310 62.8010 C.3 38 ALA38 0.0850 627 C -6.4770 39.9780 62.8220 C.2 38 ALA38 0.2184 628 O -6.7370 41.1220 63.1510 O.2 38 ALA38 -0.2778 629 CB -4.4800 39.5400 61.3744 C.3 38 ALA38 -0.0411 630 H -4.6910 37.4190 62.6840 H 38 ALA38 0.1312 631 HA -4.4597 40.1850 63.4505 H 38 ALA38 0.0554 632 HB1 -4.5975 40.5134 60.9034 H 38 ALA38 0.0249 633 HB2 -4.9825 38.8086 60.7413 H 38 ALA38 0.0249 634 HB3 -3.4169 39.2976 61.3778 H 38 ALA38 0.0249 635 N -7.3860 39.0760 62.4780 N.am 39 LEU39 -0.2457 636 CA -8.8130 39.3940 62.5530 C.3 39 LEU39 0.0880 637 C -9.2440 39.6370 64.0020 C.2 39 LEU39 0.2187 638 O -10.0090 40.5580 64.2740 O.2 39 LEU39 -0.2778 639 CB -9.6105 38.2376 61.9285 C.3 39 LEU39 -0.0266 640 CG -9.3244 38.0226 60.4284 C.3 39 LEU39 -0.0449 641 CD1 -9.9139 36.6905 59.9597 C.3 39 LEU39 -0.0626 642 CD2 -9.8504 39.1738 59.5634 C.3 39 LEU39 -0.0626 643 H -7.0890 38.1540 62.1590 H 39 LEU39 0.1312 644 HA -8.9770 40.3187 61.9992 H 39 LEU39 0.0557 645 HB1 -10.6793 38.3996 62.0702 H 39 LEU39 0.0287 646 HB2 -9.3765 37.3207 62.4719 H 39 LEU39 0.0287 647 HG -8.2492 37.9699 60.2716 H 39 LEU39 0.0296 648 HD11 -9.6993 36.5188 58.9052 H 39 LEU39 0.0232 649 HD12 -10.9955 36.6797 60.0955 H 39 LEU39 0.0232 650 HD13 -9.4955 35.8556 60.5225 H 39 LEU39 0.0232 651 HD21 -9.6694 38.9833 58.5054 H 39 LEU39 0.0232 652 HD22 -9.3606 40.1126 59.8119 H 39 LEU39 0.0232 653 HD23 -10.9218 39.3070 59.6992 H 39 LEU39 0.0232 654 N -8.7520 38.7980 64.9300 N.am 40 LYS40 -0.2457 655 CA -9.1280 38.9270 66.3200 C.3 40 LYS40 0.0878 656 C -8.7520 40.2920 66.9130 C.2 40 LYS40 0.2187 657 O -9.5030 40.8430 67.7520 O.2 40 LYS40 -0.2778 658 CB -8.3986 37.8136 67.0922 C.3 40 LYS40 -0.0289 659 CG -9.1055 36.4473 67.0514 C.3 40 LYS40 -0.0496 660 CD -9.4092 35.9177 68.4634 C.3 40 LYS40 -0.0278 661 CE -10.6176 36.5911 69.1338 C.3 40 LYS40 0.1103 662 NZ -10.7204 38.0257 68.8885 N.4 40 LYS40 -0.0749 663 H -8.1050 38.0610 64.6500 H 40 LYS40 0.1312 664 HA -10.2061 38.8245 66.3691 H 40 LYS40 0.0557 665 HB1 -8.2428 38.1055 68.1275 H 40 LYS40 0.0285 666 HB2 -7.3878 37.7074 66.7020 H 40 LYS40 0.0285 667 HG1 -8.4561 35.7354 66.5406 H 40 LYS40 0.0266 668 HG2 -10.0185 36.4860 66.4545 H 40 LYS40 0.0266 669 HD1 -8.5252 36.0400 69.0907 H 40 LYS40 0.0282 670 HD2 -9.5932 34.8440 68.4149 H 40 LYS40 0.0282 671 HE1 -10.5903 36.4322 70.2126 H 40 LYS40 0.0559 672 HE2 -11.5391 36.1357 68.7656 H 40 LYS40 0.0559 673 HZ1 -11.5472 38.4114 69.3778 H 40 LYS40 0.2742 674 HZ2 -10.8986 38.1677 67.8697 H 40 LYS40 0.2742 675 HZ3 -9.8527 38.5203 69.1930 H 40 LYS40 0.2742 676 N -7.6360 40.8720 66.4830 N.am 41 VAL41 -0.2454 677 CA -7.2150 42.1910 66.9760 C.3 41 VAL41 0.0901 678 C -8.3690 43.1850 66.8370 C.2 41 VAL41 0.2189 679 O -8.6660 43.9800 67.7410 O.2 41 VAL41 -0.2778 680 CB -5.9602 42.5881 66.1635 C.3 41 VAL41 -0.0227 681 CG1 -5.6440 44.0812 66.2132 C.3 41 VAL41 -0.0608 682 CG2 -4.7322 41.7823 66.6110 C.3 41 VAL41 -0.0608 683 H -7.0580 40.3900 65.7940 H 41 VAL41 0.1312 684 HA -6.9857 42.0698 68.0337 H 41 VAL41 0.0560 685 HB -6.1474 42.3510 65.1173 H 41 VAL41 0.0315 686 HG11 -4.6903 44.3064 65.7339 H 41 VAL41 0.0233 687 HG12 -5.5949 44.4017 67.2470 H 41 VAL41 0.0233 688 HG13 -6.4085 44.6663 65.7015 H 41 VAL41 0.0233 689 HG21 -3.8840 41.9698 65.9521 H 41 VAL41 0.0233 690 HG22 -4.9246 40.7117 66.5974 H 41 VAL41 0.0233 691 HG23 -4.4345 42.0473 67.6255 H 41 VAL41 0.0233 692 N -9.0640 43.1160 65.7080 N.am 42 TRP42 -0.2453 693 CA -10.1220 44.0880 65.4310 C.3 42 TRP42 0.0918 694 C -11.4380 43.6930 66.0410 C.2 42 TRP42 0.2190 695 O -12.2040 44.5910 66.4840 O.2 42 TRP42 -0.2778 696 CB -10.2893 44.2420 63.9124 C.3 42 TRP42 -0.0021 697 CG -9.0095 44.7595 63.2917 C.ar 42 TRP42 -0.0260 698 CD1 -8.1579 44.0368 62.4523 C.ar 42 TRP42 -0.0136 699 CD2 -8.4298 46.0742 63.4331 C.ar 42 TRP42 -0.0028 700 NE1 -7.1478 44.8415 62.0434 N.ar 42 TRP42 -0.2641 701 CE2 -7.2704 46.0967 62.6236 C.ar 42 TRP42 0.0269 702 CE3 -8.7869 47.1881 64.1477 C.ar 42 TRP42 -0.0528 703 CZ2 -6.5154 47.2341 62.5407 C.ar 42 TRP42 -0.0430 704 CZ3 -7.9996 48.3392 64.0906 C.ar 42 TRP42 -0.0611 705 CH2 -6.8624 48.3630 63.2837 C.ar 42 TRP42 -0.0602 706 H -8.8600 42.3820 65.0300 H 42 TRP42 0.1312 707 HA -9.8324 45.0463 65.8654 H 42 TRP42 0.0560 708 HB1 -11.0955 44.9392 63.6782 H 42 TRP42 0.0334 709 HB2 -10.5499 43.2867 63.4530 H 42 TRP42 0.0334 710 HD1 -8.3008 43.0077 62.1546 H 42 TRP42 0.0748 711 HE1 -6.4263 44.5830 61.4311 H 42 TRP42 0.1331 712 HE3 -9.6706 47.1721 64.7675 H 42 TRP42 0.0624 713 HZ2 -5.6355 47.2481 61.9138 H 42 TRP42 0.0633 714 HZ3 -8.2650 49.2140 64.6670 H 42 TRP42 0.0618 715 HH2 -6.2469 49.2514 63.2394 H 42 TRP42 0.0618 716 N -11.7190 42.3970 66.0780 N.am 43 GLU43 -0.2456 717 CA -12.9160 41.8890 66.7440 C.3 43 GLU43 0.0883 718 C -12.9500 42.3290 68.1920 C.2 43 GLU43 0.2187 719 O -14.0060 42.6670 68.7190 O.2 43 GLU43 -0.2778 720 CB -12.8554 40.3566 66.8607 C.3 43 GLU43 -0.0193 721 CG -12.9403 39.5542 65.5616 C.3 43 GLU43 0.0356 722 CD -12.6194 38.0671 65.8242 C.2 43 GLU43 0.1760 723 OE1 -12.3556 37.6938 66.9694 O.co2 43 GLU43 -0.6478 724 OE2 -12.6240 37.2907 64.8804 O.co2 43 GLU43 -0.6478 725 H -11.0820 41.7380 65.6300 H 43 GLU43 0.1312 726 HA -13.8026 42.2396 66.2136 H 43 GLU43 0.0557 727 HB1 -13.6613 39.9988 67.5067 H 43 GLU43 0.0290 728 HB2 -11.9232 40.0970 67.3645 H 43 GLU43 0.0290 729 HG1 -12.2296 39.9262 64.8307 H 43 GLU43 0.0374 730 HG2 -13.9350 39.6317 65.1255 H 43 GLU43 0.0374 731 N -11.8030 42.3230 68.8460 N.am 44 GLU44 -0.2456 732 CA -11.7070 42.6300 70.2890 C.3 44 GLU44 0.0883 733 C -12.1340 44.0220 70.6800 C.2 44 GLU44 0.2187 734 O -12.4260 44.2990 71.8620 O.2 44 GLU44 -0.2778 735 CB -10.2956 42.2773 70.7672 C.3 44 GLU44 -0.0193 736 CG -10.1939 40.7616 70.9949 C.3 44 GLU44 0.0356 737 CD -8.7698 40.2210 70.8615 C.2 44 GLU44 0.1760 738 OE1 -7.8354 40.8544 71.3497 O.co2 44 GLU44 -0.6478 739 OE2 -8.6161 39.1611 70.2611 O.co2 44 GLU44 -0.6478 740 H -10.9490 42.0980 68.3360 H 44 GLU44 0.1312 741 HA -12.4258 41.9719 70.7821 H 44 GLU44 0.0557 742 HB1 -10.0435 42.7889 71.6972 H 44 GLU44 0.0290 743 HB2 -9.5758 42.6138 70.0195 H 44 GLU44 0.0290 744 HG1 -10.8143 40.2381 70.2690 H 44 GLU44 0.0374 745 HG2 -10.5758 40.4955 71.9799 H 44 GLU44 0.0374 746 N -12.1200 44.9400 69.7250 N.am 45 VAL45 -0.2454 747 CA -12.4290 46.3200 70.0800 C.3 45 VAL45 0.0901 748 C -13.6110 46.9170 69.2970 C.2 45 VAL45 0.2190 749 O -13.7760 48.1160 69.2890 O.2 45 VAL45 -0.2778 750 CB -11.1469 47.1746 69.9242 C.3 45 VAL45 -0.0227 751 CG1 -10.0413 46.6996 70.8798 C.3 45 VAL45 -0.0608 752 CG2 -10.6171 47.2168 68.4816 C.3 45 VAL45 -0.0608 753 H -11.8980 44.6870 68.7620 H 45 VAL45 0.1312 754 HA -12.7472 46.3900 71.1217 H 45 VAL45 0.0560 755 HB -11.3898 48.1991 70.2133 H 45 VAL45 0.0315 756 HG11 -9.1824 47.3696 70.8494 H 45 VAL45 0.0233 757 HG12 -9.6882 45.7011 70.6207 H 45 VAL45 0.0233 758 HG13 -10.4009 46.6706 71.9088 H 45 VAL45 0.0233 759 HG21 -9.7271 47.8424 68.4133 H 45 VAL45 0.0233 760 HG22 -11.3550 47.6398 67.8047 H 45 VAL45 0.0233 761 HG23 -10.3539 46.2236 68.1162 H 45 VAL45 0.0233 762 N -14.3960 46.0660 68.6250 N.am 46 THR46 -0.2434 763 CA -15.5780 46.5200 67.8680 C.3 46 THR46 0.1137 764 C -16.6450 45.4600 67.9880 C.2 46 THR46 0.2239 765 O -16.4400 44.4230 68.6050 O.2 46 THR46 -0.2775 766 CB -15.1839 46.7588 66.3855 C.3 46 THR46 0.0763 767 OG1 -14.8912 45.5609 65.6946 O.3 46 THR46 -0.3900 768 CG2 -14.0370 47.7540 66.2019 C.3 46 THR46 -0.0370 769 H -14.1700 45.0720 68.6370 H 46 THR46 0.1313 770 HA -15.9432 47.4262 68.3490 H 46 THR46 0.0583 771 HB -16.0203 47.2059 65.8566 H 46 THR46 0.0611 772 HG1 -14.2247 45.0824 66.1800 H 46 THR46 0.2098 773 HG21 -13.9032 47.9644 65.1438 H 46 THR46 0.0255 774 HG22 -13.0929 47.3659 66.5762 H 46 THR46 0.0255 775 HG23 -14.2499 48.6965 66.7076 H 46 THR46 0.0255 776 N -17.8050 45.6760 67.4020 N.am 47 PRO47 -0.2315 777 CA -18.8220 44.6460 67.3420 C.3 47 PRO47 0.0907 778 C -18.6550 43.6630 66.1680 C.2 47 PRO47 0.2189 779 O -19.4590 42.7560 65.9890 O.2 47 PRO47 -0.2778 780 CB -20.1351 45.4340 67.1400 C.3 47 PRO47 -0.0276 781 CG -19.7519 46.9094 67.1937 C.3 47 PRO47 -0.0379 782 CD -18.2721 46.9331 66.8339 C.3 47 PRO47 0.0071 783 HA -18.8355 44.0969 68.2860 H 47 PRO47 0.0559 784 HB1 -20.8810 45.1844 67.8938 H 47 PRO47 0.0285 785 HB2 -20.5963 45.2294 66.1717 H 47 PRO47 0.0285 786 HG1 -19.8813 47.2817 68.2103 H 47 PRO47 0.0278 787 HG2 -20.3594 47.5272 66.5334 H 47 PRO47 0.0278 788 HD1 -18.1229 46.8820 65.7558 H 47 PRO47 0.0431 789 HD2 -17.7671 47.7876 67.2654 H 47 PRO47 0.0431 790 N -17.5950 43.8450 65.3980 N.am 48 LEU48 -0.2456 791 CA -17.4290 43.0210 64.2090 C.3 48 LEU48 0.0880 792 C -17.0170 41.6060 64.5460 C.2 48 LEU48 0.2187 793 O -16.2090 41.4140 65.4570 O.2 48 LEU48 -0.2778 794 CB -16.3560 43.6335 63.2923 C.3 48 LEU48 -0.0266 795 CG -16.6703 45.0515 62.7869 C.3 48 LEU48 -0.0449 796 CD1 -15.5288 45.5419 61.8890 C.3 48 LEU48 -0.0626 797 CD2 -18.0073 45.1021 62.0353 C.3 48 LEU48 -0.0626 798 H -16.9020 44.5550 65.6350 H 48 LEU48 0.1312 799 HA -18.3896 43.0055 63.7147 H 48 LEU48 0.0557 800 HB1 -16.2101 42.9835 62.4271 H 48 LEU48 0.0287 801 HB2 -15.4004 43.6499 63.8197 H 48 LEU48 0.0287 802 HG -16.7335 45.7265 63.6417 H 48 LEU48 0.0296 803 HD11 -15.7255 46.5416 61.5065 H 48 LEU48 0.0232 804 HD12 -15.3994 44.8768 61.0350 H 48 LEU48 0.0232 805 HD13 -14.5848 45.5738 62.4342 H 48 LEU48 0.0232 806 HD21 -18.1678 46.0759 61.5767 H 48 LEU48 0.0232 807 HD22 -18.8416 44.9242 62.7126 H 48 LEU48 0.0232 808 HD23 -18.0459 44.3526 61.2437 H 48 LEU48 0.0232 809 N -17.5770 40.6170 63.8330 N.am 49 THR49 -0.2434 810 CA -17.1050 39.2390 63.9360 C.3 49 THR49 0.1135 811 C -16.8380 38.7370 62.5330 C.2 49 THR49 0.2212 812 O -17.4020 39.2570 61.5570 O.2 49 THR49 -0.2777 813 CB -18.1551 38.3729 64.6558 C.3 49 THR49 0.0763 814 OG1 -19.3667 38.3692 63.9111 O.3 49 THR49 -0.3900 815 CG2 -18.3905 38.8765 66.0913 C.3 49 THR49 -0.0370 816 H -18.3510 40.8330 63.2040 H 49 THR49 0.1313 817 HA -16.1592 39.2187 64.4812 H 49 THR49 0.0583 818 HB -17.7600 37.3515 64.7039 H 49 THR49 0.0611 819 HG1 -20.0372 37.8802 64.3764 H 49 THR49 0.2098 820 HG21 -19.0137 38.1914 66.6662 H 49 THR49 0.0255 821 HG22 -18.8766 39.8526 66.0971 H 49 THR49 0.0255 822 HG23 -17.4453 38.9775 66.6259 H 49 THR49 0.0255 823 N -15.9580 37.7470 62.4320 N.am 50 PHE50 -0.2453 824 CA -15.5650 37.1670 61.1480 C.3 50 PHE50 0.0918 825 C -15.7740 35.6590 61.1490 C.2 50 PHE50 0.2191 826 O -15.5840 34.9970 62.1860 O.2 50 PHE50 -0.2778 827 CB -14.0641 37.4240 60.9136 C.3 50 PHE50 -0.0036 828 CG -13.7062 38.8853 60.8743 C.ar 50 PHE50 -0.0454 829 CD1 -13.2675 39.5274 62.0265 C.ar 50 PHE50 -0.0585 830 CD2 -13.7565 39.5999 59.6825 C.ar 50 PHE50 -0.0585 831 CE1 -12.8901 40.8624 61.9976 C.ar 50 PHE50 -0.0615 832 CE2 -13.3761 40.9360 59.6470 C.ar 50 PHE50 -0.0615 833 CZ -12.9446 41.5683 60.8054 C.ar 50 PHE50 -0.0617 834 H -15.5390 37.3760 63.2850 H 50 PHE50 0.1312 835 HA -16.1470 37.6444 60.3851 H 50 PHE50 0.0560 836 HB1 -13.7467 36.9728 59.9744 H 50 PHE50 0.0333 837 HB2 -13.4731 36.9449 61.6974 H 50 PHE50 0.0333 838 HD1 -13.2060 38.9702 62.9492 H 50 PHE50 0.0620 839 HD2 -14.0868 39.1122 58.7771 H 50 PHE50 0.0620 840 HE1 -12.5473 41.3445 62.9018 H 50 PHE50 0.0618 841 HE2 -13.4179 41.4851 58.7186 H 50 PHE50 0.0618 842 HZ -12.6490 42.6054 60.7832 H 50 PHE50 0.0618 843 N -16.1750 35.1000 60.0000 N.am 51 SER51 -0.2436 844 CA -16.2150 33.6650 59.8440 C.3 51 SER51 0.1109 845 C -15.5530 33.3090 58.5080 C.2 51 SER51 0.2209 846 O -15.6260 34.0910 57.5320 O.2 51 SER51 -0.2777 847 CB -17.6473 33.1197 59.9345 C.3 51 SER51 0.0681 848 OG -18.4178 33.4694 58.7913 O.3 51 SER51 -0.3930 849 H -16.4570 35.6970 59.2230 H 51 SER51 0.1312 850 HA -15.6093 33.2129 60.6323 H 51 SER51 0.0580 851 HB1 -18.1172 33.5126 60.8429 H 51 SER51 0.0577 852 HB2 -17.5994 32.0293 60.0332 H 51 SER51 0.0577 853 HG -19.2926 33.0907 58.8371 H 51 SER51 0.2095 854 N -14.9260 32.1470 58.4930 N.am 52 ARG52 -0.2456 855 CA -14.1800 31.6440 57.3380 C.3 52 ARG52 0.0879 856 C -15.0480 30.8830 56.3460 C.2 52 ARG52 0.2187 857 O -15.9130 30.0520 56.7210 O.2 52 ARG52 -0.2778 858 CB -13.0720 30.7361 57.8759 C.3 52 ARG52 -0.0258 859 CG -12.0156 30.3929 56.8230 C.3 52 ARG52 -0.0154 860 CD -10.7911 29.7537 57.4709 C.3 52 ARG52 0.1045 861 NE -9.8227 29.4090 56.4401 N.pl3 52 ARG52 -0.4450 862 CZ -8.6316 28.9124 56.7405 C.cat 52 ARG52 0.5062 863 NH1 -8.2865 28.6612 57.9695 N.pl3 52 ARG52 -0.4573 864 NH2 -7.7779 28.6690 55.7959 N.pl3 52 ARG52 -0.4573 865 H -14.9630 31.5680 59.3320 H 52 ARG52 0.1312 866 HA -13.7376 32.5113 56.8444 H 52 ARG52 0.0557 867 HB1 -13.4948 29.8208 58.2941 H 52 ARG52 0.0286 868 HB2 -12.5885 31.2418 58.7108 H 52 ARG52 0.0286 869 HG1 -11.7105 31.2980 56.2959 H 52 ARG52 0.0299 870 HG2 -12.4378 29.7214 56.0742 H 52 ARG52 0.0299 871 HD1 -11.0575 28.8471 58.0161 H 52 ARG52 0.0711 872 HD2 -10.3177 30.4499 58.1679 H 52 ARG52 0.0711 873 HE -10.0126 29.5398 55.4720 H 52 ARG52 0.3153 874 HH11 -7.3724 28.2532 58.0899 H 52 ARG52 0.3114 875 HH12 -8.8662 28.8531 58.7511 H 52 ARG52 0.3114 876 HH21 -6.8550 28.3889 56.1104 H 52 ARG52 0.3114 877 HH22 -7.9583 28.7541 54.8268 H 52 ARG52 0.3114 878 N -14.8230 31.1750 55.0680 N.am 53 LEU53 -0.2456 879 CA -15.4300 30.4510 53.9510 C.3 53 LEU53 0.0880 880 C -14.3210 29.6760 53.2470 C.2 53 LEU53 0.2187 881 O -13.1590 30.1200 53.2230 O.2 53 LEU53 -0.2778 882 CB -16.1390 31.4160 52.9901 C.3 53 LEU53 -0.0266 883 CG -17.3451 32.1372 53.6182 C.3 53 LEU53 -0.0449 884 CD1 -17.9421 33.1327 52.6179 C.3 53 LEU53 -0.0626 885 CD2 -18.4294 31.1634 54.1002 C.3 53 LEU53 -0.0626 886 H -14.1920 31.9470 54.8550 H 53 LEU53 0.1312 887 HA -16.1353 29.7168 54.3426 H 53 LEU53 0.0557 888 HB1 -16.4781 30.8717 52.1065 H 53 LEU53 0.0287 889 HB2 -15.4228 32.1568 52.6334 H 53 LEU53 0.0287 890 HG -16.9970 32.6973 54.4855 H 53 LEU53 0.0296 891 HD11 -18.7764 33.6840 53.0501 H 53 LEU53 0.0232 892 HD12 -18.3045 32.6267 51.7223 H 53 LEU53 0.0232 893 HD13 -17.1954 33.8571 52.3076 H 53 LEU53 0.0232 894 HD21 -19.2999 31.7057 54.4703 H 53 LEU53 0.0232 895 HD22 -18.0757 30.5357 54.9174 H 53 LEU53 0.0232 896 HD23 -18.7626 30.5124 53.2914 H 53 LEU53 0.0232 897 N -14.6770 28.5340 52.6600 N.am 54 TYR54 -0.2453 898 CA -13.7330 27.6540 51.9680 C.3 54 TYR54 0.0917 899 C -14.0340 27.5590 50.4880 C.2 54 TYR54 0.2190 900 O -13.2690 26.9700 49.7440 O.2 54 TYR54 -0.2778 901 CB -13.7816 26.2713 52.6390 C.3 54 TYR54 -0.0036 902 CG -13.4032 26.3640 54.0966 C.ar 54 TYR54 -0.0453 903 CD1 -14.3735 26.6093 55.0657 C.ar 54 TYR54 -0.0561 904 CD2 -12.0726 26.2508 54.4900 C.ar 54 TYR54 -0.0561 905 CE1 -14.0185 26.7660 56.3985 C.ar 54 TYR54 -0.0317 906 CE2 -11.7182 26.3810 55.8274 C.ar 54 TYR54 -0.0317 907 CZ -12.6915 26.6456 56.7801 C.ar 54 TYR54 0.0726 908 OH -12.3427 26.7985 58.1052 O.3 54 TYR54 -0.3598 909 H -15.6580 28.2590 52.6950 H 54 TYR54 0.1312 910 HA -12.7275 28.0665 52.0600 H 54 TYR54 0.0560 911 HB1 -13.1045 25.5776 52.1383 H 54 TYR54 0.0333 912 HB2 -14.7814 25.8417 52.5524 H 54 TYR54 0.0333 913 HD1 -15.4111 26.7057 54.7788 H 54 TYR54 0.0621 914 HD2 -11.3083 26.0615 53.7505 H 54 TYR54 0.0621 915 HE1 -14.7746 26.9752 57.1407 H 54 TYR54 0.0643 916 HE2 -10.6850 26.2898 56.1275 H 54 TYR54 0.0643 917 HH -11.5821 26.2647 58.2980 H 54 TYR54 0.2173 918 N -15.1410 28.1590 50.0790 N.am 55 GLU55 -0.2456 919 CA -15.4910 28.2340 48.6680 C.3 55 GLU55 0.0883 920 C -16.3710 29.4560 48.4820 C.2 55 GLU55 0.2185 921 O -16.8910 29.9820 49.4430 O.2 55 GLU55 -0.2778 922 CB -16.1977 26.9498 48.2158 C.3 55 GLU55 -0.0193 923 CG -17.4974 26.6576 48.9811 C.3 55 GLU55 0.0356 924 CD -18.1328 25.3862 48.4263 C.2 55 GLU55 0.1760 925 OE1 -18.7091 25.4519 47.3432 O.co2 55 GLU55 -0.6478 926 OE2 -18.0394 24.3519 49.0807 O.co2 55 GLU55 -0.6478 927 H -15.7640 28.5790 50.7690 H 55 GLU55 0.1312 928 HA -14.5752 28.3897 48.0961 H 55 GLU55 0.0557 929 HB1 -15.5162 26.1064 48.3353 H 55 GLU55 0.0290 930 HB2 -16.4107 27.0111 47.1473 H 55 GLU55 0.0290 931 HG1 -18.2171 27.4680 48.8733 H 55 GLU55 0.0374 932 HG2 -17.3104 26.5246 50.0462 H 55 GLU55 0.0374 933 N -16.5290 29.9170 47.2490 N.am 56 GLY56 -0.2485 934 CA -17.3740 31.0750 46.9880 C.3 56 GLY56 0.0765 935 C -16.7040 32.3810 47.3820 C.2 56 GLY56 0.2155 936 O -15.5220 32.4000 47.7010 O.2 56 GLY56 -0.2781 937 H -16.0530 29.4560 46.4740 H 56 GLY56 0.1309 938 HA1 -18.3166 30.9526 47.5248 H 56 GLY56 0.0521 939 HA2 -17.5806 31.0844 45.9182 H 56 GLY56 0.0521 940 N -17.4470 33.4790 47.3230 N.am 57 GLU57 -0.2459 941 CA -16.8860 34.7700 47.5920 C.3 57 GLU57 0.0883 942 C -17.1120 35.1940 49.0320 C.2 57 GLU57 0.2187 943 O -18.2190 35.1530 49.5380 O.2 57 GLU57 -0.2778 944 CB -17.3203 35.7889 46.5276 C.3 57 GLU57 -0.0193 945 CG -16.8469 35.3965 45.1064 C.3 57 GLU57 0.0356 946 CD -15.3389 35.0689 45.0494 C.2 57 GLU57 0.1760 947 OE1 -14.5517 35.7559 45.6946 O.co2 57 GLU57 -0.6478 948 OE2 -14.9464 34.1149 44.3791 O.co2 57 GLU57 -0.6478 949 H -18.4350 33.4030 47.0820 H 57 GLU57 0.1312 950 HA -15.8033 34.6848 47.5121 H 57 GLU57 0.0557 951 HB1 -16.9022 36.7653 46.7766 H 57 GLU57 0.0290 952 HB2 -18.4040 35.9046 46.5384 H 57 GLU57 0.0290 953 HG1 -17.0433 36.2030 44.4018 H 57 GLU57 0.0374 954 HG2 -17.3987 34.5255 44.7533 H 57 GLU57 0.0374 955 N -16.0270 35.5760 49.7010 N.am 58 ALA58 -0.2459 956 CA -16.1200 36.0840 51.0540 C.3 58 ALA58 0.0850 957 C -15.9590 37.6040 50.9470 C.2 58 ALA58 0.2184 958 O -15.3890 38.0860 49.9870 O.2 58 ALA58 -0.2778 959 CB -14.9975 35.4764 51.8910 C.3 58 ALA58 -0.0411 960 H -15.1130 35.5100 49.2530 H 58 ALA58 0.1312 961 HA -17.0986 35.8623 51.4816 H 58 ALA58 0.0554 962 HB1 -15.1080 35.7640 52.9310 H 58 ALA58 0.0249 963 HB2 -14.0151 35.8021 51.5480 H 58 ALA58 0.0249 964 HB3 -15.0299 34.3895 51.8489 H 58 ALA58 0.0249 965 N -16.3970 38.3760 51.9610 N.am 59 ASP59 -0.2451 966 CA -16.1930 39.8050 51.8710 C.3 59 ASP59 0.0974 967 C -14.7070 40.1910 51.7140 C.2 59 ASP59 0.2192 968 O -14.3220 41.0090 50.8570 O.2 59 ASP59 -0.2778 969 CB -16.7140 40.4780 53.1440 C.3 59 ASP59 0.0576 970 CG -18.1610 40.1850 53.3900 C.2 59 ASP59 0.1780 971 OD1 -19.0030 40.5530 52.5170 O.co2 59 ASP59 -0.6478 972 OD2 -18.6130 39.5990 54.4000 O.co2 59 ASP59 -0.6478 973 H -16.8600 37.9630 52.7710 H 59 ASP59 0.1312 974 HA -16.7630 40.1970 50.9960 H 59 ASP59 0.0563 975 HB1 -16.5230 41.5760 53.1260 H 59 ASP59 0.0394 976 HB2 -16.1400 40.0560 54.0010 H 59 ASP59 0.0394 977 N -13.8610 39.5590 52.5350 N.am 60 ILE60 -0.2454 978 CA -12.4240 39.8230 52.5000 C.3 60 ILE60 0.0903 979 C -11.7100 38.5770 51.9350 C.2 60 ILE60 0.2189 980 O -11.5440 37.5480 52.5990 O.2 60 ILE60 -0.2778 981 CB -11.9418 40.1649 53.9311 C.3 60 ILE60 -0.0201 982 CG1 -12.6431 41.4378 54.4580 C.3 60 ILE60 -0.0514 983 CG2 -10.4082 40.3043 54.0026 C.3 60 ILE60 -0.0605 984 CD1 -12.2708 41.8062 55.9004 C.3 60 ILE60 -0.0650 985 H -14.2270 38.8780 53.2000 H 60 ILE60 0.1312 986 HA -12.2059 40.6677 51.8438 H 60 ILE60 0.0560 987 HB -12.2252 39.3384 54.5857 H 60 ILE60 0.0318 988 HG11 -13.7245 41.3037 54.4224 H 60 ILE60 0.0266 989 HG12 -12.4222 42.2821 53.8050 H 60 ILE60 0.0266 990 HG21 -10.0702 40.5064 55.0175 H 60 ILE60 0.0233 991 HG22 -10.0476 41.1077 53.3631 H 60 ILE60 0.0233 992 HG23 -9.9051 39.3912 53.6910 H 60 ILE60 0.0233 993 HD11 -12.8891 42.6288 56.2617 H 60 ILE60 0.0230 994 HD12 -11.2317 42.1257 55.9810 H 60 ILE60 0.0230 995 HD13 -12.4184 40.9599 56.5719 H 60 ILE60 0.0230 996 N -11.3540 38.6620 50.6590 N.am 61 MET61 -0.2456 997 CA -10.6290 37.6000 49.9810 C.3 61 MET61 0.0885 998 C -9.1610 37.8940 50.1800 C.2 61 MET61 0.2187 999 O -8.6740 39.0050 49.8650 O.2 61 MET61 -0.2778 1000 CB -10.9476 37.6682 48.4839 C.3 61 MET61 -0.0199 1001 CG -12.2161 36.9149 48.1078 C.3 61 MET61 -0.0047 1002 SD -11.7868 35.1868 47.9352 S.3 61 MET61 -0.1641 1003 CE -11.1863 35.2578 46.2286 C.3 61 MET61 -0.0181 1004 H -11.5980 39.5030 50.1360 H 61 MET61 0.1312 1005 HA -10.8881 36.6286 50.4089 H 61 MET61 0.0557 1006 HB1 -10.1181 37.2803 47.8918 H 61 MET61 0.0293 1007 HB2 -11.0467 38.6988 48.1813 H 61 MET61 0.0293 1008 HG1 -12.6141 37.2745 47.1574 H 61 MET61 0.0377 1009 HG2 -13.0138 37.0382 48.8410 H 61 MET61 0.0377 1010 HE1 -10.7727 34.2977 45.9225 H 61 MET61 0.0340 1011 HE2 -10.4115 36.0153 46.1215 H 61 MET61 0.0340 1012 HE3 -11.9944 35.5340 45.5510 H 61 MET61 0.0340 1013 N -8.4760 36.9230 50.7720 N.am 62 ILE62 -0.2454 1014 CA -7.0600 37.0490 51.1650 C.3 62 ILE62 0.0903 1015 C -6.1700 36.1680 50.2680 C.2 62 ILE62 0.2190 1016 O -6.4290 34.9910 50.1270 O.2 62 ILE62 -0.2778 1017 CB -6.9495 36.5948 52.6435 C.3 62 ILE62 -0.0201 1018 CG1 -7.8448 37.4551 53.5613 C.3 62 ILE62 -0.0514 1019 CG2 -5.4942 36.5730 53.1455 C.3 62 ILE62 -0.0605 1020 CD1 -7.8385 37.0105 55.0287 C.3 62 ILE62 -0.0650 1021 H -8.9540 36.0430 50.9650 H 62 ILE62 0.1312 1022 HA -6.7608 38.0892 51.0767 H 62 ILE62 0.0560 1023 HB -7.3230 35.5726 52.7048 H 62 ILE62 0.0318 1024 HG11 -8.8765 37.4080 53.2136 H 62 ILE62 0.0266 1025 HG12 -7.5471 38.5022 53.4957 H 62 ILE62 0.0266 1026 HG21 -5.4244 36.1874 54.1621 H 62 ILE62 0.0233 1027 HG22 -5.0701 37.5732 53.1377 H 62 ILE62 0.0233 1028 HG23 -4.8571 35.9356 52.5327 H 62 ILE62 0.0233 1029 HD11 -8.5992 37.5436 55.5997 H 62 ILE62 0.0230 1030 HD12 -6.8778 37.2091 55.5033 H 62 ILE62 0.0230 1031 HD13 -8.0412 35.9434 55.1124 H 62 ILE62 0.0230 1032 N -5.1320 36.7340 49.6440 N.am 63 SER63 -0.2436 1033 CA -4.2720 35.9160 48.7690 C.3 63 SER63 0.1109 1034 C -2.8370 36.4400 48.8010 C.2 63 SER63 0.2209 1035 O -2.6100 37.6040 49.1750 O.2 63 SER63 -0.2777 1036 CB -4.8156 36.0469 47.3319 C.3 63 SER63 0.0681 1037 OG -4.8902 37.4129 46.9238 O.3 63 SER63 -0.3930 1038 H -4.9360 37.7260 49.7730 H 63 SER63 0.1312 1039 HA -4.2680 34.8817 49.1181 H 63 SER63 0.0580 1040 HB1 -5.8084 35.5852 47.3016 H 63 SER63 0.0577 1041 HB2 -4.1758 35.5048 46.6297 H 63 SER63 0.0577 1042 HG -5.3379 37.4911 46.0844 H 63 SER63 0.2095 1043 N -1.9200 35.5720 48.3870 N.am 64 PHE64 -0.2453 1044 CA -0.5120 35.9120 48.1580 C.3 64 PHE64 0.0917 1045 C -0.3650 36.1110 46.6550 C.2 64 PHE64 0.2190 1046 O -1.0330 35.4230 45.8590 O.2 64 PHE64 -0.2778 1047 CB 0.4173 34.8073 48.6822 C.3 64 PHE64 -0.0036 1048 CG 0.3079 34.6605 50.1763 C.ar 64 PHE64 -0.0454 1049 CD1 -0.6098 33.7780 50.7383 C.ar 64 PHE64 -0.0585 1050 CD2 1.1261 35.4101 51.0164 C.ar 64 PHE64 -0.0585 1051 CE1 -0.7133 33.6516 52.1172 C.ar 64 PHE64 -0.0615 1052 CE2 1.0234 35.2877 52.3961 C.ar 64 PHE64 -0.0615 1053 CZ 0.1042 34.4061 52.9482 C.ar 64 PHE64 -0.0617 1054 H -2.2130 34.6100 48.2180 H 64 PHE64 0.1312 1055 HA -0.2998 36.8493 48.6715 H 64 PHE64 0.0560 1056 HB1 1.4521 35.0451 48.4326 H 64 PHE64 0.0333 1057 HB2 0.2020 33.8499 48.2090 H 64 PHE64 0.0333 1058 HD1 -1.2503 33.1872 50.0996 H 64 PHE64 0.0620 1059 HD2 1.8565 36.0866 50.5948 H 64 PHE64 0.0620 1060 HE1 -1.4345 32.9677 52.5382 H 64 PHE64 0.0618 1061 HE2 1.6674 35.8742 53.0345 H 64 PHE64 0.0618 1062 HZ 0.0285 34.3064 54.0208 H 64 PHE64 0.0618 1063 N 0.4560 37.0640 46.2900 N.am 65 ALA65 -0.2459 1064 CA 0.5990 37.4130 44.8870 C.3 65 ALA65 0.0850 1065 C 1.9940 37.9080 44.5750 C.2 65 ALA65 0.2184 1066 O 2.6920 38.3610 45.4610 O.2 65 ALA65 -0.2778 1067 CB -0.4556 38.4471 44.5097 C.3 65 ALA65 -0.0411 1068 H 0.9980 37.5640 46.9950 H 65 ALA65 0.1312 1069 HA 0.4611 36.5059 44.2936 H 65 ALA65 0.0554 1070 HB1 -0.3220 38.7338 43.4733 H 65 ALA65 0.0249 1071 HB2 -0.3774 39.3407 45.1214 H 65 ALA65 0.0249 1072 HB3 -1.4614 38.0433 44.6259 H 65 ALA65 0.0249 1073 N 2.4160 37.8170 43.2970 N.am 66 VAL66 -0.2454 1074 CA 3.7400 38.2830 42.8760 C.3 66 VAL66 0.0901 1075 C 3.5370 39.1450 41.6160 C.2 66 VAL66 0.2189 1076 O 2.7520 38.7490 40.7470 O.2 66 VAL66 -0.2778 1077 CB 4.6088 37.0042 42.7387 C.3 66 VAL66 -0.0227 1078 CG1 5.9932 37.2489 42.1396 C.3 66 VAL66 -0.0608 1079 CG2 4.7777 36.3096 44.1040 C.3 66 VAL66 -0.0608 1080 H 1.7920 37.4100 42.6000 H 66 VAL66 0.1312 1081 HA 4.1572 38.9306 43.6519 H 66 VAL66 0.0560 1082 HB 4.0904 36.3040 42.0818 H 66 VAL66 0.0315 1083 HG11 6.7223 36.5134 42.4795 H 66 VAL66 0.0233 1084 HG12 6.3597 38.2306 42.4258 H 66 VAL66 0.0233 1085 HG13 5.9611 37.1611 41.0570 H 66 VAL66 0.0233 1086 HG21 5.4323 35.4415 44.0285 H 66 VAL66 0.0233 1087 HG22 3.8321 35.9472 44.5052 H 66 VAL66 0.0233 1088 HG23 5.2147 36.9905 44.8361 H 66 VAL66 0.0233 1089 N 4.1780 40.3170 41.5750 N.am 67 ARG67 -0.2456 1090 CA 4.1530 41.1940 40.4130 C.3 67 ARG67 0.0879 1091 C 2.7100 41.3450 39.8910 C.2 67 ARG67 0.2187 1092 O 1.8140 41.6890 40.6790 O.2 67 ARG67 -0.2778 1093 CB 5.0628 40.6721 39.2592 C.3 67 ARG67 -0.0258 1094 CG 6.2636 39.8143 39.6233 C.3 67 ARG67 -0.0154 1095 CD 7.3515 40.4774 40.4624 C.3 67 ARG67 0.1045 1096 NE 8.1617 39.4538 41.1202 N.pl3 67 ARG67 -0.4450 1097 CZ 8.8549 38.4852 40.5493 C.cat 67 ARG67 0.5062 1098 NH1 8.9191 38.3536 39.2516 N.pl3 67 ARG67 -0.4573 1099 NH2 9.4774 37.6459 41.3237 N.pl3 67 ARG67 -0.4573 1100 H 4.7090 40.6100 42.3950 H 67 ARG67 0.1312 1101 HA 4.4959 42.1640 40.7623 H 67 ARG67 0.0557 1102 HB1 5.3524 41.4939 38.6024 H 67 ARG67 0.0286 1103 HB2 4.5168 39.9678 38.6320 H 67 ARG67 0.0286 1104 HG1 6.6888 39.4464 38.6906 H 67 ARG67 0.0299 1105 HG2 5.8874 38.9389 40.1325 H 67 ARG67 0.0299 1106 HD1 6.9039 41.0653 41.2653 H 67 ARG67 0.0711 1107 HD2 7.9953 41.1278 39.8678 H 67 ARG67 0.0711 1108 HE 8.2012 39.3985 42.1268 H 67 ARG67 0.3153 1109 HH11 9.4580 37.6294 38.8341 H 67 ARG67 0.3114 1110 HH12 8.4034 38.9899 38.6804 H 67 ARG67 0.3114 1111 HH21 10.0153 36.8911 40.9694 H 67 ARG67 0.3114 1112 HH22 9.3865 37.7891 42.3186 H 67 ARG67 0.3114 1113 N 2.4600 41.1420 38.5970 N.am 68 GLU68 -0.2456 1114 CA 1.0880 41.2950 38.0760 C.3 68 GLU68 0.0883 1115 C 0.2440 40.1130 38.5140 C.2 68 GLU68 0.2187 1116 O 0.5760 38.9540 38.2870 O.2 68 GLU68 -0.2778 1117 CB 1.2141 41.4169 36.5350 C.3 68 GLU68 -0.0193 1118 CG 2.2276 40.4622 35.8336 C.3 68 GLU68 0.0356 1119 CD 3.7274 40.8460 35.9759 C.2 68 GLU68 0.1760 1120 OE1 4.0389 42.0306 36.0728 O.co2 68 GLU68 -0.6478 1121 OE2 4.5748 39.9534 36.0094 O.co2 68 GLU68 -0.6478 1122 H 3.2180 40.8810 37.9660 H 68 GLU68 0.1312 1123 HA 0.6639 42.2099 38.4899 H 68 GLU68 0.0557 1124 HB1 1.4885 42.4435 36.2901 H 68 GLU68 0.0290 1125 HB2 0.2299 41.2747 36.0884 H 68 GLU68 0.0290 1126 HG1 2.0217 40.4458 34.7647 H 68 GLU68 0.0374 1127 HG2 2.0940 39.4411 36.1890 H 68 GLU68 0.0374 1128 N -0.9350 40.4210 39.0670 N.am 69 HIS69 -0.2453 1129 CA -1.7690 39.3990 39.6210 C.3 69 HIS69 0.0932 1130 C -3.2610 39.5960 39.4300 C.2 69 HIS69 0.2188 1131 O -4.0560 39.0520 40.2180 O.2 69 HIS69 -0.2778 1132 CB -1.4480 39.2080 41.1380 C.3 69 HIS69 0.0146 1133 CG -1.5750 40.4470 41.9850 C.ar 69 HIS69 0.0551 1134 ND1 -0.6030 41.4180 42.0390 N.ar 69 HIS69 -0.2469 1135 CD2 -2.5600 40.8610 42.8290 C.ar 69 HIS69 0.0047 1136 CE1 -0.9680 42.3660 42.8840 C.ar 69 HIS69 0.0737 1137 NE2 -2.1520 42.0440 43.3760 N.ar 69 HIS69 -0.2539 1138 H -1.2420 41.3930 39.0940 H 69 HIS69 0.1312 1139 HA -1.4990 38.4460 39.1090 H 69 HIS69 0.0561 1140 HB1 -0.4330 38.7630 41.2610 H 69 HIS69 0.0348 1141 HB2 -2.1800 38.4660 41.5350 H 69 HIS69 0.0348 1142 HD2 -3.5100 40.3380 43.0330 H 69 HIS69 0.0764 1143 HE1 -0.3860 43.2690 43.1350 H 69 HIS69 0.0963 1144 HE2 -2.6780 42.5920 44.0570 H 69 HIS69 0.1339 1145 N -3.6470 40.3660 38.4250 N.am 70 GLY70 -0.2485 1146 CA -5.0660 40.4190 38.0820 C.3 70 GLY70 0.0765 1147 C -5.8170 41.5780 38.6530 C.2 70 GLY70 0.2155 1148 O -7.0570 41.6030 38.6100 O.2 70 GLY70 -0.2781 1149 H -2.9650 40.9130 37.8990 H 70 GLY70 0.1309 1150 HA1 -5.5625 39.4870 38.3592 H 70 GLY70 0.0521 1151 HA2 -5.1091 40.4934 36.9958 H 70 GLY70 0.0521 1152 N -5.1040 42.5300 39.2220 N.am 71 ASP71 -0.2454 1153 CA -5.7850 43.7620 39.6780 C.3 71 ASP71 0.0974 1154 C -5.0220 44.9820 39.1130 C.2 71 ASP71 0.2192 1155 O -4.1200 44.7980 38.2630 O.2 71 ASP71 -0.2778 1156 CB -6.0390 43.7950 41.1910 C.3 71 ASP71 0.0576 1157 CG -4.7860 43.9550 42.0010 C.2 71 ASP71 0.1780 1158 OD1 -3.6650 44.1460 41.4340 O.co2 71 ASP71 -0.6478 1159 OD2 -4.8740 43.8930 43.2730 O.co2 71 ASP71 -0.6478 1160 H -4.0980 42.4190 39.3460 H 71 ASP71 0.1312 1161 HA -6.7880 43.7650 39.1910 H 71 ASP71 0.0563 1162 HB1 -6.6080 42.8930 41.5160 H 71 ASP71 0.0394 1163 HB2 -6.6810 44.6830 41.3980 H 71 ASP71 0.0394 1164 N -5.3390 46.1930 39.5660 N.am 72 PHE72 -0.2453 1165 CA -4.7400 47.3970 38.9470 C.3 72 PHE72 0.0917 1166 C -3.3510 47.6880 39.4330 C.2 72 PHE72 0.2190 1167 O -2.7110 48.5570 38.8730 O.2 72 PHE72 -0.2778 1168 CB -5.6609 48.6086 39.1596 C.3 72 PHE72 -0.0036 1169 CG -7.0934 48.2917 38.8187 C.ar 72 PHE72 -0.0454 1170 CD1 -7.4787 48.1165 37.4932 C.ar 72 PHE72 -0.0585 1171 CD2 -8.0463 48.1471 39.8238 C.ar 72 PHE72 -0.0585 1172 CE1 -8.7925 47.7967 37.1766 C.ar 72 PHE72 -0.0615 1173 CE2 -9.3610 47.8289 39.5099 C.ar 72 PHE72 -0.0615 1174 CZ -9.7348 47.6520 38.1853 C.ar 72 PHE72 -0.0617 1175 H -5.9960 46.2920 40.3410 H 72 PHE72 0.1312 1176 HA -4.6687 47.2044 37.8746 H 72 PHE72 0.0560 1177 HB1 -5.3298 49.4459 38.5437 H 72 PHE72 0.0333 1178 HB2 -5.6101 48.9525 40.1890 H 72 PHE72 0.0333 1179 HD1 -6.7509 48.2208 36.7015 H 72 PHE72 0.0620 1180 HD2 -7.7675 48.2802 40.8584 H 72 PHE72 0.0620 1181 HE1 -9.0803 47.6588 36.1446 H 72 PHE72 0.0618 1182 HE2 -10.0937 47.7197 40.2961 H 72 PHE72 0.0618 1183 HZ -10.7568 47.4034 37.9394 H 72 PHE72 0.0618 1184 N -2.8540 46.9610 40.4460 N.am 73 TYR73 -0.2453 1185 CA -1.6670 47.3990 41.1380 C.3 73 TYR73 0.0920 1186 C -0.6860 46.2700 41.3040 C.2 73 TYR73 0.2217 1187 O -0.7240 45.5420 42.2720 O.2 73 TYR73 -0.2776 1188 CB -2.0981 47.8727 42.5464 C.3 73 TYR73 -0.0036 1189 CG -3.2929 48.7907 42.5490 C.ar 73 TYR73 -0.0453 1190 CD1 -4.5616 48.2865 42.8294 C.ar 73 TYR73 -0.0561 1191 CD2 -3.1455 50.1524 42.3063 C.ar 73 TYR73 -0.0561 1192 CE1 -5.6612 49.1321 42.8841 C.ar 73 TYR73 -0.0317 1193 CE2 -4.2468 50.9987 42.3525 C.ar 73 TYR73 -0.0317 1194 CZ -5.5031 50.4888 42.6497 C.ar 73 TYR73 0.0726 1195 OH -6.5989 51.3223 42.7170 O.3 73 TYR73 -0.3598 1196 H -3.3170 46.0970 40.7270 H 73 TYR73 0.1312 1197 HA -1.2095 48.2460 40.6310 H 73 TYR73 0.0560 1198 HB1 -1.2658 48.3667 43.0502 H 73 TYR73 0.0333 1199 HB2 -2.3713 47.0237 43.1692 H 73 TYR73 0.0333 1200 HD1 -4.6978 47.2290 43.0030 H 73 TYR73 0.0621 1201 HD2 -2.1684 50.5583 42.0861 H 73 TYR73 0.0621 1202 HE1 -6.6433 48.7409 43.1032 H 73 TYR73 0.0643 1203 HE2 -4.1243 52.0553 42.1665 H 73 TYR73 0.0643 1204 HH -6.3591 52.1891 42.4151 H 73 TYR73 0.2173 1205 N 0.1840 46.0520 40.3370 N.am 74 PRO74 -0.2316 1206 CA 1.1520 44.9720 40.4490 C.3 74 PRO74 0.0907 1207 C 2.0640 45.1460 41.6570 C.2 74 PRO74 0.2189 1208 O 2.3790 46.2840 42.0560 O.2 74 PRO74 -0.2778 1209 CB 1.9122 45.0077 39.1169 C.3 74 PRO74 -0.0276 1210 CG 1.6690 46.4043 38.5543 C.3 74 PRO74 -0.0379 1211 CD 0.3056 46.8284 39.1028 C.3 74 PRO74 0.0071 1212 HA 0.5983 44.0362 40.5457 H 74 PRO74 0.0559 1213 HB1 1.4785 44.2786 38.4334 H 74 PRO74 0.0285 1214 HB2 2.9726 44.7658 39.2058 H 74 PRO74 0.0285 1215 HG1 1.7132 46.4329 37.4654 H 74 PRO74 0.0278 1216 HG2 2.4364 47.0789 38.9355 H 74 PRO74 0.0278 1217 HD1 0.2894 47.8990 39.3011 H 74 PRO74 0.0431 1218 HD2 -0.5205 46.5411 38.4502 H 74 PRO74 0.0431 1219 N 2.4410 44.0190 42.2590 N.am 75 PHE75 -0.2453 1220 CA 3.4670 44.1090 43.2940 C.3 75 PHE75 0.0917 1221 C 4.8000 44.4540 42.6520 C.2 75 PHE75 0.2190 1222 O 4.9340 44.4780 41.4260 O.2 75 PHE75 -0.2778 1223 CB 3.4544 42.8267 44.1389 C.3 75 PHE75 -0.0036 1224 CG 2.3718 42.8562 45.1936 C.ar 75 PHE75 -0.0454 1225 CD1 1.5235 41.7668 45.3670 C.ar 75 PHE75 -0.0585 1226 CD2 2.2476 43.9428 46.0608 C.ar 75 PHE75 -0.0585 1227 CE1 0.5612 41.7754 46.3696 C.ar 75 PHE75 -0.0615 1228 CE2 1.2612 43.9700 47.0342 C.ar 75 PHE75 -0.0615 1229 CZ 0.4132 42.8868 47.1848 C.ar 75 PHE75 -0.0617 1230 H 2.0260 43.1220 42.0050 H 75 PHE75 0.1312 1231 HA 3.2285 44.9768 43.9082 H 75 PHE75 0.0560 1232 HB1 4.4073 42.6865 44.6356 H 75 PHE75 0.0333 1233 HB2 3.3243 41.9559 43.4971 H 75 PHE75 0.0333 1234 HD1 1.6473 40.8877 44.7498 H 75 PHE75 0.0620 1235 HD2 2.9334 44.7758 46.0074 H 75 PHE75 0.0620 1236 HE1 -0.0364 40.8979 46.5547 H 75 PHE75 0.0618 1237 HE2 1.1811 44.8195 47.6984 H 75 PHE75 0.0618 1238 HZ -0.3206 42.9000 47.9732 H 75 PHE75 0.0618 1239 N 5.7980 44.6870 43.5040 N.am 76 ASP76 -0.2468 1240 CA 7.0240 45.3820 43.0610 C.3 76 ASP76 0.0795 1241 C 8.3090 44.6610 43.3610 C.2 76 ASP76 0.1380 1242 O 9.3880 45.3130 43.3770 O.2 76 ASP76 -0.2994 1243 CB 7.0890 46.7680 43.6720 C.3 76 ASP76 0.0560 1244 CG 7.1070 46.7410 45.1960 C.2 76 ASP76 0.1779 1245 OD1 7.0330 45.6130 45.7620 O.co2 76 ASP76 -0.6478 1246 OD2 7.1110 47.7950 45.8540 O.co2 76 ASP76 -0.6478 1247 H 5.7140 44.3820 44.4740 H 76 ASP76 0.1311 1248 HA 6.9590 45.5060 41.9550 H 76 ASP76 0.0545 1249 H 8.3080 43.5770 43.5640 H 76 ASP76 0.1043 1250 HB1 6.2600 47.4100 43.2940 H 76 ASP76 0.0393 1251 HB2 8.0460 47.2320 43.3380 H 76 ASP76 0.0393 1252 N 8.2330 43.3510 43.5630 N.4 77 GLY77 -0.0668 1253 CA 9.3930 42.5290 43.8850 C.3 77 GLY77 0.1828 1254 C 9.7760 42.5740 45.3560 C.2 77 GLY77 0.2310 1255 O 9.1180 43.2340 46.1580 O.2 77 GLY77 -0.2774 1256 H1 7.9760 43.3210 42.5770 H 77 GLY77 0.2747 1257 H2 8.3750 44.3130 43.8700 H 77 GLY77 0.2747 1258 H3 7.4440 42.9790 44.0920 H 77 GLY77 0.2747 1259 HA1 10.2620 42.8020 43.2420 H 77 GLY77 0.0654 1260 HA2 9.1250 41.4730 43.6460 H 77 GLY77 0.0654 1261 N 10.8950 41.9480 45.7180 N.am 78 PRO78 -0.2314 1262 CA 11.3440 41.9750 47.1190 C.3 78 PRO78 0.0907 1263 C 11.5060 43.3820 47.6780 C.2 78 PRO78 0.2187 1264 O 12.0950 44.2910 47.0380 O.2 78 PRO78 -0.2778 1265 CB 12.6775 41.2175 47.0667 C.3 78 PRO78 -0.0276 1266 CG 12.5915 40.3528 45.8090 C.3 78 PRO78 -0.0379 1267 CD 11.7456 41.1651 44.8279 C.3 78 PRO78 0.0071 1268 HA 10.6028 41.4236 47.7029 H 78 PRO78 0.0559 1269 HB1 12.8531 40.6289 47.9676 H 78 PRO78 0.0285 1270 HB2 13.5148 41.9091 46.9572 H 78 PRO78 0.0285 1271 HG1 12.0732 39.4230 46.0485 H 78 PRO78 0.0278 1272 HG2 13.5710 40.0929 45.4074 H 78 PRO78 0.0278 1273 HD1 12.3465 41.8654 44.2458 H 78 PRO78 0.0431 1274 HD2 11.1440 40.5280 44.1773 H 78 PRO78 0.0431 1275 N 10.9840 43.5730 48.8830 N.am 79 GLY79 -0.2485 1276 CA 11.0600 44.8350 49.5810 C.3 79 GLY79 0.0765 1277 C 10.0450 45.8300 49.0990 C.2 79 GLY79 0.2155 1278 O 9.1010 45.4680 48.3980 O.2 79 GLY79 -0.2781 1279 H 10.5080 42.7930 49.3360 H 79 GLY79 0.1309 1280 HA1 12.0900 45.2590 49.5280 H 79 GLY79 0.0521 1281 HA2 10.8400 44.6320 50.6550 H 79 GLY79 0.0521 1282 N 10.2030 47.0650 49.5350 N.am 80 ASN80 -0.2454 1283 CA 9.2830 48.1330 49.2090 C.3 80 ASN80 0.0957 1284 C 7.8570 47.7310 49.5770 C.2 80 ASN80 0.2191 1285 O 7.6360 47.3810 50.7330 O.2 80 ASN80 -0.2778 1286 CB 9.4271 48.5482 47.7305 C.3 80 ASN80 0.0446 1287 CG 10.8261 49.0899 47.4167 C.2 80 ASN80 0.2000 1288 OD1 11.6764 49.2510 48.2815 O.2 80 ASN80 -0.2797 1289 ND2 11.0056 49.3605 46.1161 N.am 80 ASN80 -0.2723 1290 H 11.0070 47.2750 50.1260 H 80 ASN80 0.1312 1291 HA 9.5518 48.9650 49.8605 H 80 ASN80 0.0562 1292 HB1 8.7073 49.3243 47.4685 H 80 ASN80 0.0375 1293 HB2 9.2493 47.6976 47.0748 H 80 ASN80 0.0375 1294 HD21 11.8849 49.7197 45.8065 H 80 ASN80 0.1266 1295 HD22 10.2674 49.2087 45.4591 H 80 ASN80 0.1266 1296 N 6.8990 47.7580 48.6440 N.am 81 VAL81 -0.2454 1297 CA 5.5250 47.4530 49.0760 C.3 81 VAL81 0.0901 1298 C 5.3940 45.9890 49.5110 C.2 81 VAL81 0.2189 1299 O 5.8010 45.0740 48.8060 O.2 81 VAL81 -0.2778 1300 CB 4.5070 47.7630 47.9740 C.3 81 VAL81 -0.0227 1301 CG1 3.1240 47.2340 48.3680 C.3 81 VAL81 -0.0608 1302 CG2 4.4240 49.2780 47.6890 C.3 81 VAL81 -0.0608 1303 H 7.1120 47.9810 47.6720 H 81 VAL81 0.1312 1304 HA 5.2890 48.0970 49.9550 H 81 VAL81 0.0560 1305 HB 4.8300 47.2460 47.0410 H 81 VAL81 0.0315 1306 HG11 2.3830 47.4600 47.5660 H 81 VAL81 0.0233 1307 HG12 2.7960 47.6230 49.3600 H 81 VAL81 0.0233 1308 HG13 3.2000 46.1250 48.4520 H 81 VAL81 0.0233 1309 HG21 3.6830 49.5040 46.8870 H 81 VAL81 0.0233 1310 HG22 5.4260 49.7030 47.4490 H 81 VAL81 0.0233 1311 HG23 4.0660 49.7730 48.6220 H 81 VAL81 0.0233 1312 N 4.8320 45.7720 50.6970 N.am 82 LEU82 -0.2456 1313 CA 4.7490 44.4220 51.2490 C.3 82 LEU82 0.0880 1314 C 3.4090 43.7420 50.9840 C.2 82 LEU82 0.2187 1315 O 3.3050 42.5150 50.9340 O.2 82 LEU82 -0.2778 1316 CB 4.9677 44.5136 52.7716 C.3 82 LEU82 -0.0266 1317 CG 6.2565 45.2511 53.1848 C.3 82 LEU82 -0.0449 1318 CD1 6.3443 45.3673 54.7128 C.3 82 LEU82 -0.0626 1319 CD2 7.5111 44.5780 52.6091 C.3 82 LEU82 -0.0626 1320 H 4.4550 46.5570 51.2270 H 82 LEU82 0.1312 1321 HA 5.5295 43.7994 50.8086 H 82 LEU82 0.0557 1322 HB1 4.9765 43.5100 53.1996 H 82 LEU82 0.0287 1323 HB2 4.1176 45.0282 53.2236 H 82 LEU82 0.0287 1324 HG 6.2187 46.2695 52.7962 H 82 LEU82 0.0296 1325 HD11 7.2334 45.9210 55.0146 H 82 LEU82 0.0232 1326 HD12 6.3876 44.3855 55.1809 H 82 LEU82 0.0232 1327 HD13 5.4762 45.8892 55.1166 H 82 LEU82 0.0232 1328 HD21 8.4179 45.0706 52.9596 H 82 LEU82 0.0232 1329 HD22 7.5247 44.6215 51.5198 H 82 LEU82 0.0232 1330 HD23 7.5646 43.5297 52.8991 H 82 LEU82 0.0232 1331 N 2.3920 44.5910 50.8770 N.am 83 ALA83 -0.2459 1332 CA 1.0040 44.1070 50.8020 C.3 83 ALA83 0.0850 1333 C 0.0990 45.2830 50.4480 C.2 83 ALA83 0.2184 1334 O 0.4940 46.4430 50.5040 O.2 83 ALA83 -0.2778 1335 CB 0.5822 43.5113 52.1562 C.3 83 ALA83 -0.0411 1336 H 2.5760 45.5940 50.8460 H 83 ALA83 0.1312 1337 HA 0.9535 43.3621 50.0087 H 83 ALA83 0.0554 1338 HB1 -0.4439 43.1456 52.1293 H 83 ALA83 0.0249 1339 HB2 0.6502 44.2534 52.9529 H 83 ALA83 0.0249 1340 HB3 1.2163 42.6711 52.4363 H 83 ALA83 0.0249 1341 N -1.1290 44.9800 50.0560 N.am 84 HIS84 -0.2453 1342 CA -2.1030 46.0300 49.8920 C.3 84 HIS84 0.0932 1343 C -3.5050 45.5000 50.0920 C.2 84 HIS84 0.2190 1344 O -3.7480 44.3170 49.9860 O.2 84 HIS84 -0.2778 1345 CB -1.9790 46.8120 48.5560 C.3 84 HIS84 0.0146 1346 CG -2.1080 45.9840 47.3060 C.ar 84 HIS84 0.0551 1347 ND1 -1.3220 46.2390 46.1970 N.ar 84 HIS84 -0.2469 1348 CD2 -2.8760 44.9060 46.9790 C.ar 84 HIS84 0.0047 1349 CE1 -1.6430 45.3870 45.2290 C.ar 84 HIS84 0.0737 1350 NE2 -2.5980 44.5880 45.6610 N.ar 84 HIS84 -0.2539 1351 H -1.3840 44.0100 49.8710 H 84 HIS84 0.1312 1352 HA -1.9200 46.7650 50.7100 H 84 HIS84 0.0561 1353 HB1 -1.0230 47.3850 48.5370 H 84 HIS84 0.0348 1354 HB2 -2.8070 47.5590 48.5380 H 84 HIS84 0.0348 1355 HD2 -3.5870 44.3840 47.6420 H 84 HIS84 0.0764 1356 HE1 -1.1840 45.3540 44.2260 H 84 HIS84 0.0963 1357 HE2 -3.0550 43.8580 45.1160 H 84 HIS84 0.1339 1358 N -4.4210 46.4150 50.4270 N.am 85 ALA85 -0.2459 1359 CA -5.7950 46.0200 50.6800 C.3 85 ALA85 0.0850 1360 C -6.7230 47.1220 50.2390 C.2 85 ALA85 0.2184 1361 O -6.3260 48.2740 50.0550 O.2 85 ALA85 -0.2778 1362 CB -5.9605 45.6769 52.1642 C.3 85 ALA85 -0.0411 1363 H -4.1530 47.3960 50.5050 H 85 ALA85 0.1312 1364 HA -6.0153 45.1520 50.0599 H 85 ALA85 0.0554 1365 HB1 -6.9980 45.4652 52.4217 H 85 ALA85 0.0249 1366 HB2 -5.6065 46.4893 52.7963 H 85 ALA85 0.0249 1367 HB3 -5.3731 44.7945 52.4140 H 85 ALA85 0.0249 1368 N -7.9580 46.7260 50.0270 N.am 86 TYR86 -0.2453 1369 CA -8.9300 47.6520 49.4910 C.3 86 TYR86 0.0917 1370 C -9.9490 48.0750 50.5550 C.2 86 TYR86 0.2190 1371 O -10.3500 47.2520 51.4080 O.2 86 TYR86 -0.2778 1372 CB -9.6013 47.0154 48.2716 C.3 86 TYR86 -0.0036 1373 CG -8.5491 46.4748 47.3465 C.ar 86 TYR86 -0.0453 1374 CD1 -8.1985 45.1373 47.4405 C.ar 86 TYR86 -0.0561 1375 CD2 -7.7929 47.3178 46.5414 C.ar 86 TYR86 -0.0561 1376 CE1 -7.0769 44.6425 46.8020 C.ar 86 TYR86 -0.0317 1377 CE2 -6.6762 46.8252 45.8806 C.ar 86 TYR86 -0.0317 1378 CZ -6.3085 45.4951 46.0311 C.ar 86 TYR86 0.0726 1379 OH -5.1697 45.0300 45.4173 O.3 86 TYR86 -0.3598 1380 H -8.2300 45.7660 50.2400 H 86 TYR86 0.1312 1381 HA -8.4266 48.5609 49.1543 H 86 TYR86 0.0560 1382 HB1 -10.2269 47.7362 47.7443 H 86 TYR86 0.0333 1383 HB2 -10.2342 46.1908 48.5958 H 86 TYR86 0.0333 1384 HD1 -8.7634 44.5097 48.1034 H 86 TYR86 0.0621 1385 HD2 -8.0296 48.3705 46.4827 H 86 TYR86 0.0621 1386 HE1 -6.7948 43.6101 46.9383 H 86 TYR86 0.0643 1387 HE2 -6.0642 47.4914 45.2926 H 86 TYR86 0.0643 1388 HH -4.9890 45.6466 44.7123 H 86 TYR86 0.2173 1389 N -10.4080 49.3180 50.4670 N.am 87 ALA87 -0.2459 1390 CA -11.4010 49.8300 51.4540 C.3 87 ALA87 0.0852 1391 C -12.7020 49.0180 51.3530 C.2 87 ALA87 0.2211 1392 O -12.9100 48.2770 50.3890 O.2 87 ALA87 -0.2776 1393 CB -11.6330 51.3147 51.1495 C.3 87 ALA87 -0.0411 1394 H -10.0780 49.9270 49.7180 H 87 ALA87 0.1312 1395 HA -10.9398 49.6973 52.4320 H 87 ALA87 0.0554 1396 HB1 -12.2427 51.7957 51.9102 H 87 ALA87 0.0249 1397 HB2 -12.1242 51.4532 50.1859 H 87 ALA87 0.0249 1398 HB3 -10.6841 51.8488 51.1143 H 87 ALA87 0.0249 1399 N -13.5840 49.1090 52.3590 N.am 88 PRO88 -0.2316 1400 CA -14.8040 48.3080 52.3210 C.3 88 PRO88 0.0907 1401 C -15.7030 48.5720 51.1130 C.2 88 PRO88 0.2187 1402 O -15.7950 49.7110 50.6200 O.2 88 PRO88 -0.2778 1403 CB -15.5116 48.7814 53.6088 C.3 88 PRO88 -0.0276 1404 CG -14.3858 49.2671 54.5186 C.3 88 PRO88 -0.0379 1405 CD -13.3943 49.9043 53.5639 C.3 88 PRO88 0.0071 1406 HA -14.5051 47.2609 52.3802 H 88 PRO88 0.0559 1407 HB1 -16.1206 48.0082 54.0690 H 88 PRO88 0.0285 1408 HB2 -16.1675 49.6303 53.4058 H 88 PRO88 0.0285 1409 HG1 -13.9431 48.4120 55.0161 H 88 PRO88 0.0278 1410 HG2 -14.6649 49.9569 55.3049 H 88 PRO88 0.0278 1411 HD1 -13.6562 50.9374 53.3351 H 88 PRO88 0.0431 1412 HD2 -12.3738 49.8230 53.9349 H 88 PRO88 0.0431 1413 N -16.3730 47.5220 50.6770 N.am 89 GLY89 -0.2484 1414 CA -17.2870 47.6200 49.5380 C.3 89 GLY89 0.0767 1415 C -17.3770 46.2600 48.8930 C.2 89 GLY89 0.2182 1416 O -16.7960 45.2910 49.3820 O.2 89 GLY89 -0.2779 1417 H -16.2510 46.6230 51.1440 H 89 GLY89 0.1309 1418 HA1 -16.8976 48.3509 48.8264 H 89 GLY89 0.0521 1419 HA2 -18.2591 47.9394 49.9135 H 89 GLY89 0.0521 1420 N -18.0830 46.1530 47.7870 N.am 90 PRO90 -0.2318 1421 CA -18.2720 44.8680 47.1260 C.3 90 PRO90 0.0907 1422 C -17.1220 44.4430 46.1870 C.2 90 PRO90 0.2187 1423 O -16.2510 45.2760 45.8630 O.2 90 PRO90 -0.2778 1424 CB -19.5308 45.1475 46.2937 C.3 90 PRO90 -0.0276 1425 CG -19.4331 46.6292 45.9303 C.3 90 PRO90 -0.0379 1426 CD -18.7540 47.2780 47.1373 C.3 90 PRO90 0.0071 1427 HA -18.4595 44.0935 47.8711 H 90 PRO90 0.0559 1428 HB1 -20.4125 44.9948 46.9171 H 90 PRO90 0.0285 1429 HB2 -19.6421 44.5054 45.4185 H 90 PRO90 0.0285 1430 HG1 -20.4024 47.0737 45.7031 H 90 PRO90 0.0278 1431 HG2 -18.7997 46.7467 45.0499 H 90 PRO90 0.0278 1432 HD1 -18.0174 48.0309 46.8499 H 90 PRO90 0.0431 1433 HD2 -19.4788 47.6940 47.8390 H 90 PRO90 0.0431 1434 N -17.1020 43.1830 45.7900 N.am 91 GLY91 -0.2485 1435 CA -16.0930 42.7480 44.8280 C.3 91 GLY91 0.0765 1436 C -14.6720 42.7830 45.3970 C.2 91 GLY91 0.2155 1437 O -14.4150 42.2830 46.5200 O.2 91 GLY91 -0.2781 1438 H -17.7860 42.5190 46.1530 H 91 GLY91 0.1309 1439 HA1 -16.1590 43.3400 43.8860 H 91 GLY91 0.0521 1440 HA2 -16.3190 41.6880 44.5690 H 91 GLY91 0.0521 1441 N -13.7690 43.3830 44.6370 N.am 92 ILE92 -0.2456 1442 CA -12.3880 43.5250 45.0900 C.3 92 ILE92 0.0903 1443 C -12.2790 44.3540 46.3500 C.2 92 ILE92 0.2189 1444 O -11.3090 44.2010 47.1170 O.2 92 ILE92 -0.2778 1445 CB -11.5729 44.1658 43.9369 C.3 92 ILE92 -0.0201 1446 CG1 -10.0622 44.2775 44.2256 C.3 92 ILE92 -0.0514 1447 CG2 -12.1214 45.5440 43.5175 C.3 92 ILE92 -0.0605 1448 CD1 -9.3757 42.9301 44.4648 C.3 92 ILE92 -0.0650 1449 H -14.0410 43.7500 43.7250 H 92 ILE92 0.1312 1450 HA -12.0174 42.5209 45.2918 H 92 ILE92 0.0560 1451 HB -11.6808 43.5087 43.0725 H 92 ILE92 0.0318 1452 HG11 -9.8873 44.9371 45.0748 H 92 ILE92 0.0266 1453 HG12 -9.5759 44.7579 43.3757 H 92 ILE92 0.0266 1454 HG21 -11.5775 45.9295 42.6546 H 92 ILE92 0.0233 1455 HG22 -12.0186 46.2781 44.3171 H 92 ILE92 0.0233 1456 HG23 -13.1736 45.5021 43.2372 H 92 ILE92 0.0233 1457 HD11 -8.3021 43.0655 44.5824 H 92 ILE92 0.0230 1458 HD12 -9.5381 42.2493 43.6290 H 92 ILE92 0.0230 1459 HD13 -9.7451 42.4475 45.3672 H 92 ILE92 0.0230 1460 N -13.2290 45.2340 46.6180 N.am 93 ASN93 -0.2452 1461 CA -13.1550 46.0000 47.8410 C.3 93 ASN93 0.0957 1462 C -13.1410 45.0900 49.0510 C.2 93 ASN93 0.2189 1463 O -13.6670 43.9890 48.9960 O.2 93 ASN93 -0.2778 1464 CB -14.2680 47.0490 47.8520 C.3 93 ASN93 0.0446 1465 CG -13.9610 48.1670 46.8580 C.2 93 ASN93 0.2000 1466 OD1 -14.4730 48.1680 45.7480 O.2 93 ASN93 -0.2797 1467 ND2 -13.0760 49.0610 47.2300 N.am 93 ASN93 -0.2723 1468 H -14.0040 45.3710 45.9700 H 93 ASN93 0.1312 1469 HA -12.1840 46.5490 47.8290 H 93 ASN93 0.0562 1470 HB1 -14.4530 47.4460 48.8770 H 93 ASN93 0.0375 1471 HB2 -15.2040 46.5470 47.5130 H 93 ASN93 0.0375 1472 HD21 -12.8710 49.8080 46.5660 H 93 ASN93 0.1266 1473 HD22 -12.6160 49.0120 48.1390 H 93 ASN93 0.1266 1474 N -12.4310 45.5500 50.0780 N.am 94 GLY94 -0.2485 1475 CA -12.1900 44.7460 51.2830 C.3 94 GLY94 0.0765 1476 C -11.0890 43.6900 51.1350 C.2 94 GLY94 0.2155 1477 O -10.6620 43.1540 52.1730 O.2 94 GLY94 -0.2781 1478 H -12.0420 46.4910 50.0270 H 94 GLY94 0.1309 1479 HA1 -13.1188 44.2539 51.5603 H 94 GLY94 0.0521 1480 HA2 -11.9185 45.4363 52.0826 H 94 GLY94 0.0521 1481 N -10.6910 43.2870 49.9140 N.am 95 ASP95 -0.2454 1482 CA -9.7230 42.2220 49.7390 C.3 95 ASP95 0.0974 1483 C -8.2890 42.6080 50.1530 C.2 95 ASP95 0.2192 1484 O -7.9310 43.7530 50.1800 O.2 95 ASP95 -0.2778 1485 CB -9.7330 41.7860 48.2650 C.3 95 ASP95 0.0576 1486 CG -11.0320 41.1560 47.8480 C.2 95 ASP95 0.1780 1487 OD1 -12.0090 41.0360 48.6690 O.co2 95 ASP95 -0.6478 1488 OD2 -11.1520 40.7070 46.6830 O.co2 95 ASP95 -0.6478 1489 H -11.0810 43.7430 49.0890 H 95 ASP95 0.1312 1490 HA -10.0440 41.3540 50.3610 H 95 ASP95 0.0563 1491 HB1 -8.8740 41.1100 48.0440 H 95 ASP95 0.0394 1492 HB2 -9.5980 42.7050 47.6480 H 95 ASP95 0.0394 1493 N -7.4880 41.5950 50.4610 N.am 96 ALA96 -0.2459 1494 CA -6.1480 41.8540 50.9430 C.3 96 ALA96 0.0850 1495 C -5.2050 40.9180 50.2490 C.2 96 ALA96 0.2184 1496 O -5.3890 39.7270 50.2570 O.2 96 ALA96 -0.2778 1497 CB -6.0892 41.6355 52.4597 C.3 96 ALA96 -0.0411 1498 H -7.8170 40.6350 50.3580 H 96 ALA96 0.1312 1499 HA -5.8478 42.8779 50.7110 H 96 ALA96 0.0554 1500 HB1 -5.0820 41.8011 52.8450 H 96 ALA96 0.0249 1501 HB2 -6.3952 40.6252 52.7341 H 96 ALA96 0.0249 1502 HB3 -6.7455 42.3345 52.9738 H 96 ALA96 0.0249 1503 N -4.1500 41.5080 49.6740 N.am 97 HIS97 -0.2453 1504 CA -3.1400 40.7520 48.9310 C.3 97 HIS97 0.0932 1505 C -1.7580 40.9890 49.5320 C.2 97 HIS97 0.2190 1506 O -1.4190 42.1110 49.9380 O.2 97 HIS97 -0.2778 1507 CB -3.0880 41.3050 47.4920 C.3 97 HIS97 0.0146 1508 CG -4.3770 41.1850 46.7530 C.ar 97 HIS97 0.0551 1509 ND1 -4.6040 41.8660 45.5680 N.ar 97 HIS97 -0.2469 1510 CD2 -5.4920 40.4610 46.9990 C.ar 97 HIS97 0.0047 1511 CE1 -5.8100 41.5770 45.1250 C.ar 97 HIS97 0.0737 1512 NE2 -6.3790 40.7330 45.9740 N.ar 97 HIS97 -0.2539 1513 H -4.0460 42.5190 49.7560 H 97 HIS97 0.1312 1514 HA -3.3860 39.6640 48.9260 H 97 HIS97 0.0561 1515 HB1 -2.2600 40.8270 46.9180 H 97 HIS97 0.0348 1516 HB2 -2.8520 42.3920 47.5660 H 97 HIS97 0.0348 1517 HD2 -5.6620 39.7840 47.8530 H 97 HIS97 0.0764 1518 HE1 -6.2690 41.9710 44.2030 H 97 HIS97 0.0963 1519 HE2 -7.3190 40.3470 45.8850 H 97 HIS97 0.1339 1520 N -0.9780 39.9050 49.6060 N.am 98 PHE98 -0.2453 1521 CA 0.3450 39.9390 50.2130 C.3 98 PHE98 0.0917 1522 C 1.4140 39.6030 49.1770 C.2 98 PHE98 0.2190 1523 O 1.2770 38.6290 48.4850 O.2 98 PHE98 -0.2778 1524 CB 0.3300 38.9331 51.3775 C.3 98 PHE98 -0.0036 1525 CG -0.6433 39.3665 52.4460 C.ar 98 PHE98 -0.0454 1526 CD1 -1.9982 39.0571 52.3412 C.ar 98 PHE98 -0.0585 1527 CD2 -0.2178 40.1585 53.5082 C.ar 98 PHE98 -0.0585 1528 CE1 -2.9174 39.5917 53.2323 C.ar 98 PHE98 -0.0615 1529 CE2 -1.1327 40.6554 54.4273 C.ar 98 PHE98 -0.0615 1530 CZ -2.4857 40.3910 54.2772 C.ar 98 PHE98 -0.0617 1531 H -1.3220 39.0240 49.2240 H 98 PHE98 0.1312 1532 HA 0.5501 40.9401 50.5993 H 98 PHE98 0.0560 1533 HB1 1.3210 38.8256 51.8162 H 98 PHE98 0.0333 1534 HB2 0.0398 37.9476 51.0145 H 98 PHE98 0.0333 1535 HD1 -2.3541 38.4520 51.5215 H 98 PHE98 0.0620 1536 HD2 0.8254 40.4197 53.6071 H 98 PHE98 0.0620 1537 HE1 -3.9724 39.4139 53.0979 H 98 PHE98 0.0618 1538 HE2 -0.7976 41.2781 55.2415 H 98 PHE98 0.0618 1539 HZ -3.2057 40.8167 54.9602 H 98 PHE98 0.0618 1540 N 2.4680 40.4170 49.1120 N.am 99 ASP99 -0.2451 1541 CA 3.4970 40.2530 48.0890 C.3 99 ASP99 0.0974 1542 C 4.3460 39.0430 48.4780 C.2 99 ASP99 0.2192 1543 O 5.0400 39.0650 49.5240 O.2 99 ASP99 -0.2778 1544 CB 4.3560 41.5410 48.0350 C.3 99 ASP99 0.0576 1545 CG 5.3170 41.5780 46.8520 C.2 99 ASP99 0.1780 1546 OD1 5.5600 40.5110 46.2280 O.co2 99 ASP99 -0.6478 1547 OD2 5.8700 42.6660 46.5500 O.co2 99 ASP99 -0.6478 1548 H 2.5570 41.1720 49.7930 H 99 ASP99 0.1312 1549 HA 3.0190 40.0760 47.0980 H 99 ASP99 0.0563 1550 HB1 4.9040 41.6920 48.9940 H 99 ASP99 0.0394 1551 HB2 3.6550 42.4000 47.9170 H 99 ASP99 0.0394 1552 N 4.3330 37.9890 47.6850 N.am 100 ASP100 -0.2451 1553 CA 5.1290 36.8000 48.0460 C.3 100 ASP100 0.0974 1554 C 6.6040 36.9570 47.6810 C.2 100 ASP100 0.2192 1555 O 7.3880 36.0190 47.8890 O.2 100 ASP100 -0.2778 1556 CB 4.5810 35.5100 47.4800 C.3 100 ASP100 0.0576 1557 CG 4.4530 34.4140 48.5300 C.2 100 ASP100 0.1780 1558 OD1 5.2900 34.4540 49.4830 O.co2 100 ASP100 -0.6478 1559 OD2 3.5580 33.5470 48.4930 O.co2 100 ASP100 -0.6478 1560 H 3.7770 37.9960 46.8290 H 100 ASP100 0.1312 1561 HA 5.0820 36.7080 49.1560 H 100 ASP100 0.0563 1562 HB1 5.1900 35.1640 46.6130 H 100 ASP100 0.0394 1563 HB2 3.5550 35.7250 47.0990 H 100 ASP100 0.0394 1564 N 6.9690 38.1100 47.1520 N.am 101 ASP101 -0.2451 1565 CA 8.4040 38.3690 46.9890 C.3 101 ASP101 0.0974 1566 C 9.0050 38.7710 48.3130 C.2 101 ASP101 0.2192 1567 O 10.2240 38.9520 48.4100 O.2 101 ASP101 -0.2778 1568 CB 8.6430 39.5353 46.0137 C.3 101 ASP101 0.0576 1569 CG 8.4865 39.2553 44.5024 C.2 101 ASP101 0.1780 1570 OD1 9.2373 38.4627 43.9422 O.co2 101 ASP101 -0.6478 1571 OD2 7.6395 39.8639 43.8555 O.co2 101 ASP101 -0.6478 1572 H 6.2750 38.8000 46.8650 H 101 ASP101 0.1312 1573 HA 8.9019 37.4714 46.6194 H 101 ASP101 0.0563 1574 HB1 9.6778 39.8404 46.1167 H 101 ASP101 0.0394 1575 HB2 8.0370 40.3974 46.2890 H 101 ASP101 0.0394 1576 N 8.1620 38.9320 49.3360 N.am 102 GLU102 -0.2456 1577 CA 8.6850 39.0430 50.7060 C.3 102 GLU102 0.0883 1578 C 8.7420 37.6600 51.3030 C.2 102 GLU102 0.2187 1579 O 8.1150 36.7170 50.8500 O.2 102 GLU102 -0.2778 1580 CB 7.7780 39.8970 51.5940 C.3 102 GLU102 -0.0193 1581 CG 7.1650 41.1030 50.8670 C.3 102 GLU102 0.0356 1582 CD 8.1740 41.9710 50.1010 C.2 102 GLU102 0.1760 1583 OE1 9.3890 42.0060 50.4890 O.co2 102 GLU102 -0.6478 1584 OE2 7.7540 42.6680 49.1220 O.co2 102 GLU102 -0.6478 1585 H 7.1570 38.9780 49.1680 H 102 GLU102 0.1312 1586 HA 9.7090 39.4840 50.6820 H 102 GLU102 0.0557 1587 HB1 8.3200 40.2240 52.5120 H 102 GLU102 0.0290 1588 HB2 6.9340 39.2470 51.9240 H 102 GLU102 0.0290 1589 HG1 6.5800 41.7290 51.5810 H 102 GLU102 0.0374 1590 HG2 6.4440 40.7010 50.1170 H 102 GLU102 0.0374 1591 N 9.5230 37.5480 52.3690 N.am 103 GLN103 -0.2456 1592 CA 9.5680 36.3060 53.1140 C.3 103 GLN103 0.0882 1593 C 8.7310 36.4070 54.3680 C.2 103 GLN103 0.2187 1594 O 9.1020 37.0200 55.3510 O.2 103 GLN103 -0.2778 1595 CB 11.0379 36.0501 53.5012 C.3 103 GLN103 -0.0210 1596 CG 11.2916 34.6550 54.1012 C.3 103 GLN103 0.0225 1597 CD 11.1401 33.5712 53.0246 C.2 103 GLN103 0.1981 1598 OE1 11.6995 33.6689 51.9405 O.2 103 GLN103 -0.2798 1599 NE2 10.3524 32.5479 53.3792 N.am 103 GLN103 -0.2724 1600 H 10.0940 38.3390 52.6660 H 103 GLN103 0.1312 1601 HA 9.2137 35.4796 52.4995 H 103 GLN103 0.0557 1602 HB1 11.3720 36.8112 54.2086 H 103 GLN103 0.0289 1603 HB2 11.6708 36.1847 52.6225 H 103 GLN103 0.0289 1604 HG1 10.6168 34.4531 54.9342 H 103 GLN103 0.0356 1605 HG2 12.3074 34.5944 54.4908 H 103 GLN103 0.0356 1606 HE21 10.1594 31.8210 52.7196 H 103 GLN103 0.1266 1607 HE22 9.9338 32.4885 54.2849 H 103 GLN103 0.1266 1608 N 7.5730 35.7810 54.3150 N.am 104 TRP104 -0.2453 1609 CA 6.5830 35.8550 55.3970 C.3 104 TRP104 0.0918 1610 C 6.9840 34.9480 56.5420 C.2 104 TRP104 0.2191 1611 O 7.2200 33.7800 56.3330 O.2 104 TRP104 -0.2778 1612 CB 5.2062 35.4438 54.8487 C.3 104 TRP104 -0.0021 1613 CG 4.7793 36.4276 53.7821 C.ar 104 TRP104 -0.0260 1614 CD1 4.6720 36.1658 52.4141 C.ar 104 TRP104 -0.0136 1615 CD2 4.4266 37.8137 53.9638 C.ar 104 TRP104 -0.0028 1616 NE1 4.3326 37.3078 51.7687 N.ar 104 TRP104 -0.2641 1617 CE2 4.1814 38.3450 52.6775 C.ar 104 TRP104 0.0269 1618 CE3 4.3185 38.6147 55.0685 C.ar 104 TRP104 -0.0528 1619 CZ2 3.8629 39.6668 52.5332 C.ar 104 TRP104 -0.0430 1620 CZ3 3.9557 39.9531 54.9261 C.ar 104 TRP104 -0.0611 1621 CH2 3.7441 40.4857 53.6549 C.ar 104 TRP104 -0.0602 1622 H 7.3550 35.2230 53.4890 H 104 TRP104 0.1312 1623 HA 6.5599 36.8859 55.7443 H 104 TRP104 0.0560 1624 HB1 4.4549 35.4290 55.6381 H 104 TRP104 0.0334 1625 HB2 5.2431 34.4409 54.4195 H 104 TRP104 0.0334 1626 HD1 4.8453 35.2055 51.9499 H 104 TRP104 0.0748 1627 HE1 4.2059 37.3945 50.7999 H 104 TRP104 0.1331 1628 HE3 4.5045 38.2063 56.0506 H 104 TRP104 0.0624 1629 HZ2 3.6920 40.0695 51.5470 H 104 TRP104 0.0633 1630 HZ3 3.8477 40.5767 55.7996 H 104 TRP104 0.0618 1631 HH2 3.4775 41.5253 53.5327 H 104 TRP104 0.0618 1632 N 6.9990 35.4900 57.7640 N.am 105 THR105 -0.2434 1633 CA 7.4170 34.6820 58.9110 C.3 105 THR105 0.1135 1634 C 6.4390 34.7880 60.0950 C.2 105 THR105 0.2212 1635 O 5.6120 35.7130 60.1910 O.2 105 THR105 -0.2777 1636 CB 8.8284 35.1215 59.3418 C.3 105 THR105 0.0763 1637 OG1 8.7930 36.5119 59.6218 O.3 105 THR105 -0.3900 1638 CG2 9.8638 34.8105 58.2487 C.3 105 THR105 -0.0370 1639 H 6.7200 36.4620 57.8970 H 105 THR105 0.1313 1640 HA 7.4439 33.6304 58.6272 H 105 THR105 0.0583 1641 HB 9.1019 34.5641 60.2460 H 105 THR105 0.0611 1642 HG1 9.6204 36.8065 59.9846 H 105 THR105 0.2098 1643 HG21 10.8791 35.0337 58.5713 H 105 THR105 0.0255 1644 HG22 9.6717 35.3845 57.3434 H 105 THR105 0.0255 1645 HG23 9.8367 33.7549 57.9789 H 105 THR105 0.0255 1646 N 6.5840 33.8060 60.9960 N.am 106 LYS106 -0.2456 1647 CA 5.8430 33.7410 62.2690 C.3 106 LYS106 0.0878 1648 C 6.5080 34.6850 63.2910 C.2 106 LYS106 0.2187 1649 O 5.8280 35.1520 64.2000 O.2 106 LYS106 -0.2778 1650 CB 5.9070 32.2949 62.7940 C.3 106 LYS106 -0.0289 1651 CG 4.9813 32.0310 63.9953 C.3 106 LYS106 -0.0496 1652 CD 5.3133 30.7343 64.7550 C.3 106 LYS106 -0.0278 1653 CE 6.2841 30.9473 65.9297 C.3 106 LYS106 0.1103 1654 NZ 7.6364 31.3135 65.5311 N.4 106 LYS106 -0.0749 1655 H 7.2470 33.0590 60.7880 H 106 LYS106 0.1312 1656 HA 4.8165 34.0607 62.0828 H 106 LYS106 0.0557 1657 HB1 6.9388 32.0536 63.0511 H 106 LYS106 0.0285 1658 HB2 5.6383 31.6080 61.9903 H 106 LYS106 0.0285 1659 HG1 3.9568 31.9806 63.6239 H 106 LYS106 0.0266 1660 HG2 4.9950 32.8666 64.6947 H 106 LYS106 0.0266 1661 HD1 5.6872 29.9708 64.0714 H 106 LYS106 0.0282 1662 HD2 4.3845 30.3348 65.1643 H 106 LYS106 0.0282 1663 HE1 6.3532 30.0401 66.5321 H 106 LYS106 0.0559 1664 HE2 5.9118 31.7366 66.5860 H 106 LYS106 0.0559 1665 HZ1 8.2193 31.6292 66.3366 H 106 LYS106 0.2742 1666 HZ2 7.6471 32.1826 64.9507 H 106 LYS106 0.2742 1667 HZ3 8.1310 30.5805 64.9938 H 106 LYS106 0.2742 1668 N 7.7990 34.9800 63.1030 N.am 107 ASP107 -0.2451 1669 CA 8.5630 35.8530 64.0120 C.3 107 ASP107 0.0974 1670 C 9.0810 37.0480 63.2570 C.2 107 ASP107 0.2193 1671 O 8.4900 37.3940 62.2220 O.2 107 ASP107 -0.2778 1672 CB 9.7083 35.0076 64.6134 C.3 107 ASP107 0.0576 1673 CG 9.1865 33.6210 65.0284 C.2 107 ASP107 0.1780 1674 OD1 9.2432 32.6867 64.2299 O.co2 107 ASP107 -0.6478 1675 OD2 8.7012 33.4540 66.1426 O.co2 107 ASP107 -0.6478 1676 H 8.2770 34.5830 62.2940 H 107 ASP107 0.1312 1677 HA 7.9035 36.2032 64.8068 H 107 ASP107 0.0563 1678 HB1 10.1472 35.4939 65.4843 H 107 ASP107 0.0394 1679 HB2 10.5082 34.8531 63.8887 H 107 ASP107 0.0394 1680 N 10.1860 37.6500 63.7250 N.am 108 THR108 -0.2434 1681 CA 10.7540 38.8060 63.0300 C.3 108 THR108 0.1135 1682 C 11.9160 38.4890 62.1130 C.2 108 THR108 0.2213 1683 O 12.6340 39.3970 61.7080 O.2 108 THR108 -0.2777 1684 CB 11.1686 39.8260 64.1109 C.3 108 THR108 0.0763 1685 OG1 12.1365 39.2176 64.9514 O.3 108 THR108 -0.3900 1686 CG2 9.9532 40.2886 64.9392 C.3 108 THR108 -0.0370 1687 H 10.6330 37.2990 64.5720 H 108 THR108 0.1313 1688 HA 9.9810 39.2583 62.4063 H 108 THR108 0.0583 1689 HB 11.6119 40.6972 63.6153 H 108 THR108 0.0611 1690 HG1 12.4091 39.8075 65.6462 H 108 THR108 0.2098 1691 HG21 10.2151 41.0772 65.6434 H 108 THR108 0.0255 1692 HG22 9.5259 39.4693 65.5184 H 108 THR108 0.0255 1693 HG23 9.1674 40.6783 64.2920 H 108 THR108 0.0255 1694 N 12.0990 37.2330 61.7620 N.am 109 THR109 -0.2433 1695 CA 13.2090 36.9050 60.8580 C.3 109 THR109 0.1135 1696 C 12.9680 37.2950 59.4190 C.2 109 THR109 0.2210 1697 O 13.9030 37.2940 58.6420 O.2 109 THR109 -0.2777 1698 CB 13.4770 35.3884 60.9486 C.3 109 THR109 0.0763 1699 OG1 12.3273 34.6352 60.6122 O.3 109 THR109 -0.3900 1700 CG2 14.0042 34.9667 62.3302 C.3 109 THR109 -0.0370 1701 H 11.4810 36.5010 62.1120 H 109 THR109 0.1313 1702 HA 14.0950 37.4430 61.2004 H 109 THR109 0.0583 1703 HB 14.2450 35.1223 60.2182 H 109 THR109 0.0611 1704 HG1 11.6479 34.8004 61.2547 H 109 THR109 0.2098 1705 HG21 14.1848 33.8922 62.3626 H 109 THR109 0.0255 1706 HG22 13.3077 35.2099 63.1335 H 109 THR109 0.0255 1707 HG23 14.9469 35.4664 62.5531 H 109 THR109 0.0255 1708 N 11.7140 37.5590 59.0340 N.am 110 GLY110 -0.2484 1709 CA 11.4080 38.0370 57.6900 C.3 110 GLY110 0.0765 1710 C 10.4240 39.1970 57.8430 C.2 110 GLY110 0.2156 1711 O 10.6180 40.0740 58.7120 O.2 110 GLY110 -0.2781 1712 H 10.9520 37.4220 59.6980 H 110 GLY110 0.1309 1713 HA1 10.9655 37.2167 57.1281 H 110 GLY110 0.0521 1714 HA2 12.3094 38.3901 57.1872 H 110 GLY110 0.0521 1715 N 9.3610 39.2020 57.0410 N.am 111 THR111 -0.2436 1716 CA 8.2860 40.1580 57.2330 C.3 111 THR111 0.1135 1717 C 7.1790 39.4220 57.9970 C.2 111 THR111 0.2212 1718 O 6.7100 38.3710 57.5650 O.2 111 THR111 -0.2777 1719 CB 7.8098 40.7039 55.8778 C.3 111 THR111 0.0763 1720 OG1 8.9292 41.3434 55.2871 O.3 111 THR111 -0.3900 1721 CG2 6.6610 41.7125 56.0411 C.3 111 THR111 -0.0370 1722 H 9.3010 38.5240 56.2810 H 111 THR111 0.1312 1723 HA 8.6410 40.9940 57.8369 H 111 THR111 0.0583 1724 HB 7.4918 39.8621 55.2510 H 111 THR111 0.0611 1725 HG1 8.6957 41.7459 54.4566 H 111 THR111 0.2098 1726 HG21 6.2570 42.0260 55.0777 H 111 THR111 0.0255 1727 HG22 6.9955 42.6020 56.5743 H 111 THR111 0.0255 1728 HG23 5.8400 41.2840 56.6128 H 111 THR111 0.0255 1729 N 6.7890 39.9670 59.1570 N.am 112 ASN112 -0.2451 1730 CA 5.8090 39.2750 59.9780 C.3 112 ASN112 0.0957 1731 C 4.4140 39.2930 59.3810 C.2 112 ASN112 0.2191 1732 O 3.8350 40.3560 59.1980 O.2 112 ASN112 -0.2778 1733 CB 5.8260 39.8641 61.3955 C.3 112 ASN112 0.0446 1734 CG 5.0104 39.0071 62.3757 C.2 112 ASN112 0.2000 1735 OD1 3.9369 39.3857 62.8169 O.2 112 ASN112 -0.2797 1736 ND2 5.5811 37.8367 62.6896 N.am 112 ASN112 -0.2723 1737 H 7.1760 40.8600 59.4620 H 112 ASN112 0.1312 1738 HA 6.1522 38.2378 60.0329 H 112 ASN112 0.0562 1739 HB1 5.4295 40.8787 61.3975 H 112 ASN112 0.0375 1740 HB2 6.8495 39.9183 61.7666 H 112 ASN112 0.0375 1741 HD21 5.1427 37.2247 63.3477 H 112 ASN112 0.1266 1742 HD22 6.4454 37.5458 62.2793 H 112 ASN112 0.1266 1743 N 3.9020 38.1010 59.1330 N.am 113 LEU113 -0.2456 1744 CA 2.6060 37.9590 58.4390 C.3 113 LEU113 0.0880 1745 C 1.4820 38.4870 59.3440 C.2 113 LEU113 0.2187 1746 O 0.6290 39.2390 58.8890 O.2 113 LEU113 -0.2778 1747 CB 2.4116 36.4792 58.0666 C.3 113 LEU113 -0.0266 1748 CG 1.1188 36.1698 57.2874 C.3 113 LEU113 -0.0449 1749 CD1 1.0506 36.9301 55.9543 C.3 113 LEU113 -0.0626 1750 CD2 0.9882 34.6592 57.0484 C.3 113 LEU113 -0.0626 1751 H 4.4090 37.2660 59.4250 H 113 LEU113 0.1312 1752 HA 2.6501 38.5845 57.5465 H 113 LEU113 0.0557 1753 HB1 2.4353 35.8768 58.9761 H 113 LEU113 0.0287 1754 HB2 3.2686 36.1530 57.4770 H 113 LEU113 0.0287 1755 HG 0.2662 36.4771 57.8944 H 113 LEU113 0.0296 1756 HD11 0.1491 36.6674 55.3998 H 113 LEU113 0.0232 1757 HD12 1.9070 36.6941 55.3227 H 113 LEU113 0.0232 1758 HD13 1.0310 38.0095 56.1048 H 113 LEU113 0.0232 1759 HD21 0.0390 34.4175 56.5696 H 113 LEU113 0.0232 1760 HD22 1.0341 34.1066 57.9871 H 113 LEU113 0.0232 1761 HD23 1.7882 34.2893 56.4061 H 113 LEU113 0.0232 1762 N 1.4620 38.0820 60.6200 N.am 114 PHE114 -0.2453 1763 CA 0.4460 38.6240 61.5400 C.3 114 PHE114 0.0917 1764 C 0.3790 40.1490 61.5500 C.2 114 PHE114 0.2190 1765 O -0.7220 40.7230 61.3930 O.2 114 PHE114 -0.2778 1766 CB 0.7327 38.0514 62.9416 C.3 114 PHE114 -0.0036 1767 CG 0.0302 38.7857 64.0556 C.ar 114 PHE114 -0.0454 1768 CD1 -1.3572 38.7624 64.1632 C.ar 114 PHE114 -0.0585 1769 CD2 0.7670 39.5419 64.9641 C.ar 114 PHE114 -0.0585 1770 CE1 -1.9939 39.4856 65.1636 C.ar 114 PHE114 -0.0615 1771 CE2 0.1314 40.2565 65.9695 C.ar 114 PHE114 -0.0615 1772 CZ -1.2516 40.2263 66.0704 C.ar 114 PHE114 -0.0617 1773 H 2.1460 37.4030 60.9540 H 114 PHE114 0.1312 1774 HA -0.5219 38.2637 61.1867 H 114 PHE114 0.0560 1775 HB1 1.8059 38.0748 63.1324 H 114 PHE114 0.0333 1776 HB2 0.4462 37.0001 62.9742 H 114 PHE114 0.0333 1777 HD1 -1.9477 38.1976 63.4558 H 114 PHE114 0.0620 1778 HD2 1.8438 39.5887 64.8830 H 114 PHE114 0.0620 1779 HE1 -3.0694 39.4766 65.2417 H 114 PHE114 0.0618 1780 HE2 0.7146 40.8417 66.6655 H 114 PHE114 0.0618 1781 HZ -1.7532 40.7820 66.8481 H 114 PHE114 0.0618 1782 N 1.5290 40.8190 61.7050 N.am 115 LEU115 -0.2456 1783 CA 1.4930 42.2730 61.8510 C.3 115 LEU115 0.0880 1784 C 1.0450 42.9330 60.5470 C.2 115 LEU115 0.2187 1785 O 0.2170 43.8400 60.5530 O.2 115 LEU115 -0.2778 1786 CB 2.8819 42.8129 62.2350 C.3 115 LEU115 -0.0266 1787 CG 3.3245 42.4983 63.6737 C.3 115 LEU115 -0.0449 1788 CD1 4.7907 42.9063 63.8661 C.3 115 LEU115 -0.0626 1789 CD2 2.4404 43.1981 64.7150 C.3 115 LEU115 -0.0626 1790 H 2.4190 40.3210 61.7210 H 115 LEU115 0.1312 1791 HA 0.7508 42.5168 62.6121 H 115 LEU115 0.0557 1792 HB1 2.9028 43.8971 62.1133 H 115 LEU115 0.0287 1793 HB2 3.6167 42.4185 61.5316 H 115 LEU115 0.0287 1794 HG 3.2465 41.4266 63.8459 H 115 LEU115 0.0296 1795 HD11 5.1140 42.7299 64.8893 H 115 LEU115 0.0232 1796 HD12 4.9328 43.9665 63.6544 H 115 LEU115 0.0232 1797 HD13 5.4488 42.3410 63.2068 H 115 LEU115 0.0232 1798 HD21 2.7998 42.9986 65.7247 H 115 LEU115 0.0232 1799 HD22 1.4079 42.8530 64.6700 H 115 LEU115 0.0232 1800 HD23 2.4382 44.2788 64.5682 H 115 LEU115 0.0232 1801 N 1.5750 42.4560 59.4210 N.am 116 VAL116 -0.2454 1802 CA 1.1410 43.0300 58.1560 C.3 116 VAL116 0.0901 1803 C -0.3340 42.7330 57.8930 C.2 116 VAL116 0.2189 1804 O -1.0780 43.6180 57.3960 O.2 116 VAL116 -0.2778 1805 CB 2.0735 42.6273 56.9953 C.3 116 VAL116 -0.0227 1806 CG1 1.6252 43.2405 55.6553 C.3 116 VAL116 -0.0608 1807 CG2 3.5201 43.0667 57.2769 C.3 116 VAL116 -0.0608 1808 H 2.2670 41.7080 59.4450 H 116 VAL116 0.1312 1809 HA 1.2114 44.1139 58.2670 H 116 VAL116 0.0560 1810 HB 2.0532 41.5410 56.8996 H 116 VAL116 0.0315 1811 HG11 2.3220 42.9990 54.8536 H 116 VAL116 0.0233 1812 HG12 1.5611 44.3265 55.7159 H 116 VAL116 0.0233 1813 HG13 0.6472 42.8815 55.3463 H 116 VAL116 0.0233 1814 HG21 4.1670 42.8324 56.4329 H 116 VAL116 0.0233 1815 HG22 3.9356 42.5806 58.1580 H 116 VAL116 0.0233 1816 HG23 3.5795 44.1431 57.4353 H 116 VAL116 0.0233 1817 N -0.7840 41.5260 58.2140 N.am 117 ALA117 -0.2459 1818 CA -2.1790 41.2120 57.9770 C.3 117 ALA117 0.0850 1819 C -3.0700 42.0600 58.8790 C.2 117 ALA117 0.2184 1820 O -4.1070 42.5450 58.4390 O.2 117 ALA117 -0.2778 1821 CB -2.4063 39.7183 58.2348 C.3 117 ALA117 -0.0411 1822 H -0.1580 40.8310 58.6210 H 117 ALA117 0.1312 1823 HA -2.4100 41.4657 56.9438 H 117 ALA117 0.0554 1824 HB1 -3.4474 39.4401 58.0684 H 117 ALA117 0.0249 1825 HB2 -2.1429 39.4483 59.2583 H 117 ALA117 0.0249 1826 HB3 -1.7906 39.1161 57.5663 H 117 ALA117 0.0249 1827 N -2.6530 42.3130 60.1260 N.am 118 ALA118 -0.2459 1828 CA -3.5020 43.1470 60.9860 C.3 118 ALA118 0.0850 1829 C -3.6020 44.5690 60.4240 C.2 118 ALA118 0.2184 1830 O -4.6680 45.1780 60.4460 O.2 118 ALA118 -0.2778 1831 CB -2.9175 43.1447 62.4035 C.3 118 ALA118 -0.0411 1832 H -1.7690 41.9370 60.4690 H 118 ALA118 0.1312 1833 HA -4.5042 42.7164 60.9939 H 118 ALA118 0.0554 1834 HB1 -3.5523 43.6982 63.0958 H 118 ALA118 0.0249 1835 HB2 -1.9214 43.5893 62.4247 H 118 ALA118 0.0249 1836 HB3 -2.8305 42.1256 62.7810 H 118 ALA118 0.0249 1837 N -2.4770 45.1000 59.9440 N.am 119 HIS119 -0.2453 1838 CA -2.4770 46.4120 59.2780 C.3 119 HIS119 0.0932 1839 C -3.3960 46.4330 58.0460 C.2 119 HIS119 0.2190 1840 O -4.1820 47.3840 57.8550 O.2 119 HIS119 -0.2778 1841 CB -1.0280 46.7450 58.8560 C.3 119 HIS119 0.0146 1842 CG -0.8670 48.0630 58.1490 C.ar 119 HIS119 0.0551 1843 ND1 -0.4920 49.2150 58.8160 N.ar 119 HIS119 -0.2469 1844 CD2 -0.9830 48.4150 56.8380 C.ar 119 HIS119 0.0047 1845 CE1 -0.4060 50.2140 57.9640 C.ar 119 HIS119 0.0737 1846 NE2 -0.6890 49.7550 56.7620 N.ar 119 HIS119 -0.2539 1847 H -1.6000 44.5870 60.0400 H 119 HIS119 0.1312 1848 HA -2.8280 47.1840 60.0020 H 119 HIS119 0.0561 1849 HB1 -0.6060 45.9200 58.2370 H 119 HIS119 0.0348 1850 HB2 -0.4200 46.7980 59.7890 H 119 HIS119 0.0348 1851 HD2 -1.2590 47.7530 56.0000 H 119 HIS119 0.0764 1852 HE1 -0.1420 51.2560 58.2130 H 119 HIS119 0.0963 1853 HE2 -0.6900 50.3090 55.9060 H 119 HIS119 0.1339 1854 N -3.2500 45.4440 57.1760 N.am 120 GLU120 -0.2456 1855 CA -4.0400 45.4040 55.9520 C.3 120 GLU120 0.0883 1856 C -5.5150 45.2220 56.2640 C.2 120 GLU120 0.2187 1857 O -6.3580 45.8110 55.5700 O.2 120 GLU120 -0.2778 1858 CB -3.6237 44.1920 55.0822 C.3 120 GLU120 -0.0193 1859 CG -2.2072 44.2321 54.4817 C.3 120 GLU120 0.0356 1860 CD -1.7767 45.6467 54.1031 C.2 120 GLU120 0.1760 1861 OE1 -2.5412 46.3172 53.4089 O.co2 120 GLU120 -0.6478 1862 OE2 -0.6928 46.0584 54.5190 O.co2 120 GLU120 -0.6478 1863 H -2.5770 44.7020 57.3650 H 120 GLU120 0.1312 1864 HA -3.9305 46.2884 55.3971 H 120 GLU120 0.0557 1865 HB1 -4.3166 44.1150 54.2442 H 120 GLU120 0.0290 1866 HB2 -3.7385 43.2652 55.6457 H 120 GLU120 0.0290 1867 HG1 -2.1635 43.6142 53.5867 H 120 GLU120 0.0374 1868 HG2 -1.4749 43.8205 55.1657 H 120 GLU120 0.0374 1869 N -5.8720 44.4480 57.2910 N.am 121 ILE121 -0.2454 1870 CA -7.2880 44.2890 57.5980 C.3 121 ILE121 0.0903 1871 C -7.8340 45.6150 58.1110 C.2 121 ILE121 0.2187 1872 O -8.9990 45.9640 57.8760 O.2 121 ILE121 -0.2778 1873 CB -7.5071 43.1423 58.6135 C.3 121 ILE121 -0.0201 1874 CG1 -7.1771 41.7584 58.0130 C.3 121 ILE121 -0.0514 1875 CG2 -8.9232 43.1407 59.2243 C.3 121 ILE121 -0.0605 1876 CD1 -8.1703 41.2691 56.9484 C.3 121 ILE121 -0.0650 1877 H -5.1640 43.9750 57.8530 H 121 ILE121 0.1312 1878 HA -7.8008 44.0619 56.6644 H 121 ILE121 0.0560 1879 HB -6.8085 43.3089 59.4359 H 121 ILE121 0.0318 1880 HG11 -7.1367 41.0239 58.8183 H 121 ILE121 0.0266 1881 HG12 -6.1826 41.7696 57.5712 H 121 ILE121 0.0266 1882 HG21 -9.0555 42.3043 59.9088 H 121 ILE121 0.0233 1883 HG22 -9.6932 43.0754 58.4555 H 121 ILE121 0.0233 1884 HG23 -9.1152 44.0477 59.7959 H 121 ILE121 0.0233 1885 HD11 -7.8703 40.2935 56.5652 H 121 ILE121 0.0230 1886 HD12 -8.2180 41.9509 56.1001 H 121 ILE121 0.0230 1887 HD13 -9.1761 41.1623 57.3535 H 121 ILE121 0.0230 1888 N -6.9690 46.4060 58.7280 N.am 122 GLY122 -0.2485 1889 CA -7.3750 47.7470 59.1080 C.3 122 GLY122 0.0765 1890 C -7.8520 48.5070 57.8650 C.2 122 GLY122 0.2155 1891 O -8.9030 49.1430 57.9090 O.2 122 GLY122 -0.2781 1892 H -6.0260 46.0760 58.9340 H 122 GLY122 0.1309 1893 HA1 -6.5084 48.2425 59.5442 H 122 GLY122 0.0521 1894 HA2 -8.1722 47.6763 59.8493 H 122 GLY122 0.0521 1895 N -7.0890 48.4160 56.7750 N.am 123 HIS123 -0.2455 1896 CA -7.5230 49.0520 55.5330 C.3 123 HIS123 0.0932 1897 C -8.8080 48.4450 55.0070 C.2 123 HIS123 0.2191 1898 O -9.7490 49.1700 54.5970 O.2 123 HIS123 -0.2778 1899 CB -6.4820 48.8720 54.4670 C.3 123 HIS123 0.0146 1900 CG -5.2240 49.5590 54.7960 C.ar 123 HIS123 0.0551 1901 ND1 -5.1680 50.9180 55.0050 N.ar 123 HIS123 -0.2469 1902 CD2 -3.9740 49.0760 55.0150 C.ar 123 HIS123 0.0047 1903 CE1 -3.9030 51.2460 55.2830 C.ar 123 HIS123 0.0737 1904 NE2 -3.1690 50.1470 55.3100 N.ar 123 HIS123 -0.2539 1905 H -6.2070 47.9050 56.8080 H 123 HIS123 0.1312 1906 HA -7.6790 50.1410 55.7140 H 123 HIS123 0.0561 1907 HB1 -6.8670 49.1910 53.4700 H 123 HIS123 0.0348 1908 HB2 -6.2580 47.7820 54.4030 H 123 HIS123 0.0348 1909 HD2 -3.6630 48.0190 54.9650 H 123 HIS123 0.0764 1910 HE1 -3.5310 52.2690 55.4610 H 123 HIS123 0.0963 1911 HE2 -2.1710 50.1030 55.5160 H 123 HIS123 0.1339 1912 N -8.9100 47.1160 55.0400 N.am 124 SER124 -0.2436 1913 CA -10.1030 46.4390 54.5790 C.3 124 SER124 0.1109 1914 C -11.3360 46.8570 55.3790 C.2 124 SER124 0.2209 1915 O -12.4360 46.7110 54.9000 O.2 124 SER124 -0.2777 1916 CB -9.9345 44.9203 54.6899 C.3 124 SER124 0.0681 1917 OG -8.8704 44.4973 53.8515 O.3 124 SER124 -0.3930 1918 H -8.1300 46.5640 55.3980 H 124 SER124 0.1312 1919 HA -10.2549 46.7217 53.5487 H 124 SER124 0.0580 1920 HB1 -10.8678 44.4281 54.3934 H 124 SER124 0.0577 1921 HB2 -9.7288 44.6470 55.7293 H 124 SER124 0.0577 1922 HG -8.7902 43.5482 53.8477 H 124 SER124 0.2095 1923 N -11.1280 47.3410 56.5860 N.am 125 LEU125 -0.2456 1924 CA -12.2330 47.7670 57.4510 C.3 125 LEU125 0.0880 1925 C -12.5120 49.2560 57.3590 C.2 125 LEU125 0.2185 1926 O -13.4840 49.7640 57.9420 O.2 125 LEU125 -0.2778 1927 CB -11.9196 47.3846 58.9080 C.3 125 LEU125 -0.0266 1928 CG -11.9039 45.8687 59.1828 C.3 125 LEU125 -0.0449 1929 CD1 -11.4228 45.5963 60.6150 C.3 125 LEU125 -0.0626 1930 CD2 -13.2766 45.2295 58.9341 C.3 125 LEU125 -0.0626 1931 H -10.1710 47.4220 56.9290 H 125 LEU125 0.1312 1932 HA -13.1464 47.2661 57.1322 H 125 LEU125 0.0557 1933 HB1 -12.6589 47.8368 59.5700 H 125 LEU125 0.0287 1934 HB2 -10.9566 47.8155 59.1880 H 125 LEU125 0.0287 1935 HG -11.1995 45.3882 58.5066 H 125 LEU125 0.0296 1936 HD11 -11.3422 44.5271 60.8089 H 125 LEU125 0.0232 1937 HD12 -12.1078 46.0186 61.3507 H 125 LEU125 0.0232 1938 HD13 -10.4380 46.0336 60.7851 H 125 LEU125 0.0232 1939 HD21 -13.3006 44.1946 59.2723 H 125 LEU125 0.0232 1940 HD22 -13.5200 45.2195 57.8735 H 125 LEU125 0.0232 1941 HD23 -14.0638 45.7735 59.4544 H 125 LEU125 0.0232 1942 N -11.6760 49.9740 56.6190 N.am 126 GLY126 -0.2485 1943 CA -11.9160 51.3960 56.4470 C.3 126 GLY126 0.0765 1944 C -10.9360 52.3520 57.0580 C.2 126 GLY126 0.2155 1945 O -11.1790 53.5690 57.0450 O.2 126 GLY126 -0.2781 1946 H -10.8720 49.5300 56.1750 H 126 GLY126 0.1309 1947 HA1 -12.9198 51.6736 56.7729 H 126 GLY126 0.0521 1948 HA2 -11.8967 51.5585 55.3714 H 126 GLY126 0.0521 1949 N -9.8340 51.8600 57.6310 N.am 127 LEU127 -0.2459 1950 CA -8.8640 52.7780 58.1830 C.3 127 LEU127 0.0880 1951 C -7.7540 53.0400 57.1910 C.2 127 LEU127 0.2187 1952 O -7.2750 52.1360 56.5490 O.2 127 LEU127 -0.2778 1953 CB -8.2278 52.1622 59.4358 C.3 127 LEU127 -0.0266 1954 CG -9.2094 51.8565 60.5694 C.3 127 LEU127 -0.0449 1955 CD1 -8.4386 51.2269 61.7330 C.3 127 LEU127 -0.0626 1956 CD2 -9.9653 53.1092 61.0303 C.3 127 LEU127 -0.0626 1957 H -9.6800 50.8530 57.6780 H 127 LEU127 0.1312 1958 HA -9.3352 53.7278 58.4406 H 127 LEU127 0.0557 1959 HB1 -7.4611 52.8364 59.8218 H 127 LEU127 0.0287 1960 HB2 -7.7185 51.2357 59.1649 H 127 LEU127 0.0287 1961 HG -9.9398 51.1268 60.2166 H 127 LEU127 0.0296 1962 HD11 -9.1059 50.9759 62.5484 H 127 LEU127 0.0232 1963 HD12 -7.6841 51.9075 62.1283 H 127 LEU127 0.0232 1964 HD13 -7.9352 50.3119 61.4200 H 127 LEU127 0.0232 1965 HD21 -10.6555 52.8598 61.8302 H 127 LEU127 0.0232 1966 HD22 -10.5598 53.5447 60.2290 H 127 LEU127 0.0232 1967 HD23 -9.2827 53.8740 61.4014 H 127 LEU127 0.0232 1968 N -7.3170 54.2910 57.1320 N.am 128 PHE128 -0.2453 1969 CA -6.2210 54.6660 56.2580 C.3 128 PHE128 0.0917 1970 C -5.0260 54.8820 57.1850 C.2 128 PHE128 0.2190 1971 O -5.0380 54.4190 58.3340 O.2 128 PHE128 -0.2778 1972 CB -6.7056 55.9224 55.5013 C.3 128 PHE128 -0.0036 1973 CG -5.7577 56.4140 54.4386 C.ar 128 PHE128 -0.0454 1974 CD1 -5.3425 55.5689 53.4140 C.ar 128 PHE128 -0.0585 1975 CD2 -5.2603 57.7136 54.4857 C.ar 128 PHE128 -0.0585 1976 CE1 -4.4387 56.0098 52.4571 C.ar 128 PHE128 -0.0615 1977 CE2 -4.3530 58.1560 53.5319 C.ar 128 PHE128 -0.0615 1978 CZ -3.9408 57.3035 52.5174 C.ar 128 PHE128 -0.0617 1979 H -7.7600 55.0030 57.7120 H 128 PHE128 0.1312 1980 HA -5.9981 53.8507 55.5678 H 128 PHE128 0.0560 1981 HB1 -6.9207 56.7247 56.2082 H 128 PHE128 0.0333 1982 HB2 -7.6545 55.6973 55.0115 H 128 PHE128 0.0333 1983 HD1 -5.7229 54.5599 53.3577 H 128 PHE128 0.0620 1984 HD2 -5.5745 58.3824 55.2732 H 128 PHE128 0.0620 1985 HE1 -4.1292 55.3492 51.6600 H 128 PHE128 0.0618 1986 HE2 -3.9695 59.1647 53.5709 H 128 PHE128 0.0618 1987 HZ -3.2429 57.6494 51.7683 H 128 PHE128 0.0618 1988 N -3.9810 55.5490 56.7210 N.am 129 HIS129 -0.2453 1989 CA -2.7600 55.6920 57.5380 C.3 129 HIS129 0.0932 1990 C -2.8050 56.7100 58.6710 C.2 129 HIS129 0.2191 1991 O -3.4060 57.7770 58.5450 O.2 129 HIS129 -0.2778 1992 CB -1.5390 55.9500 56.6430 C.3 129 HIS129 0.0146 1993 CG -1.1780 54.7930 55.7710 C.ar 129 HIS129 0.0551 1994 ND1 -0.6350 54.9420 54.5110 N.ar 129 HIS129 -0.2469 1995 CD2 -1.2870 53.4550 55.9790 C.ar 129 HIS129 0.0047 1996 CE1 -0.4520 53.7500 53.9700 C.ar 129 HIS129 0.0737 1997 NE2 -0.8380 52.8330 54.8400 N.ar 129 HIS129 -0.2539 1998 H -4.0200 55.9670 55.7910 H 129 HIS129 0.1312 1999 HA -2.5890 54.7000 58.0180 H 129 HIS129 0.0561 2000 HB1 -0.6630 56.2690 57.2550 H 129 HIS129 0.0348 2001 HB2 -1.7980 56.8010 55.9700 H 129 HIS129 0.0348 2002 HD2 -1.6650 52.9610 56.8900 H 129 HIS129 0.0764 2003 HE1 -0.0460 53.5540 52.9630 H 129 HIS129 0.0963 2004 HE2 -0.8070 51.8240 54.6900 H 129 HIS129 0.1339 2005 N -2.1630 56.3660 59.7810 N.am 130 SER130 -0.2436 2006 CA -2.0510 57.2140 60.9570 C.3 130 SER130 0.1109 2007 C -0.7080 57.9540 61.0110 C.2 130 SER130 0.2209 2008 O 0.3150 57.4770 60.5180 O.2 130 SER130 -0.2777 2009 CB -2.2699 56.4236 62.2478 C.3 130 SER130 0.0681 2010 OG -2.3894 57.3938 63.2784 O.3 130 SER130 -0.3930 2011 H -1.7200 55.4480 59.8110 H 130 SER130 0.1312 2012 HA -2.8390 57.9655 60.8944 H 130 SER130 0.0580 2013 HB1 -1.4305 55.7515 62.4550 H 130 SER130 0.0577 2014 HB2 -3.1801 55.8166 62.1630 H 130 SER130 0.0577 2015 HG -2.7496 57.0000 64.0779 H 130 SER130 0.2095 2016 N -0.7120 59.1260 61.6280 N.am 131 ALA131 -0.2459 2017 CA 0.4990 59.9200 61.7200 C.3 131 ALA131 0.0850 2018 C 1.1550 59.6050 63.0430 C.2 131 ALA131 0.2184 2019 O 2.2080 60.1300 63.4000 O.2 131 ALA131 -0.2778 2020 CB 0.1320 61.4058 61.6403 C.3 131 ALA131 -0.0411 2021 H -1.5760 59.4740 62.0430 H 131 ALA131 0.1312 2022 HA 1.1885 59.6584 60.9147 H 131 ALA131 0.0554 2023 HB1 1.0193 62.0359 61.7150 H 131 ALA131 0.0249 2024 HB2 -0.5504 61.6919 62.4416 H 131 ALA131 0.0249 2025 HB3 -0.3537 61.6324 60.6915 H 131 ALA131 0.0249 2026 N 0.5070 58.7200 63.7790 N.am 132 ASN132 -0.2452 2027 CA 0.9760 58.3370 65.0840 C.3 132 ASN132 0.0957 2028 C 1.9180 57.1480 64.9400 C.2 132 ASN132 0.2192 2029 O 1.5430 56.1470 64.3400 O.2 132 ASN132 -0.2778 2030 CB -0.2294 57.9401 65.9579 C.3 132 ASN132 0.0446 2031 CG 0.1948 57.7016 67.4132 C.2 132 ASN132 0.2000 2032 OD1 1.1622 58.2779 67.8904 O.2 132 ASN132 -0.2797 2033 ND2 -0.5749 56.8246 68.0761 N.am 132 ASN132 -0.2723 2034 H -0.3470 58.2980 63.4130 H 132 ASN132 0.1312 2035 HA 1.5091 59.1802 65.5304 H 132 ASN132 0.0562 2036 HB1 -0.7060 57.0392 65.5762 H 132 ASN132 0.0375 2037 HB2 -0.9805 58.7290 65.9539 H 132 ASN132 0.0375 2038 HD21 -0.3513 56.5950 69.0270 H 132 ASN132 0.1266 2039 HD22 -1.3653 56.3818 67.6557 H 132 ASN132 0.1266 2040 N 3.1400 57.2410 65.4800 N.am 133 THR133 -0.2434 2041 CA 4.1430 56.1770 65.2640 C.3 133 THR133 0.1135 2042 C 3.9200 54.8570 66.0170 C.2 133 THR133 0.2212 2043 O 4.5090 53.8140 65.6830 O.2 133 THR133 -0.2777 2044 CB 5.5287 56.7295 65.6655 C.3 133 THR133 0.0763 2045 OG1 5.5284 57.0050 67.0580 O.3 133 THR133 -0.3900 2046 CG2 5.9001 58.0074 64.8939 C.3 133 THR133 -0.0370 2047 H 3.3810 58.0540 66.0460 H 133 THR133 0.1313 2048 HA 4.1522 55.9382 64.2072 H 133 THR133 0.0583 2049 HB 6.2733 55.9551 65.4446 H 133 THR133 0.0611 2050 HG1 6.3829 57.3019 67.3531 H 133 THR133 0.2098 2051 HG21 6.9189 58.3278 65.1119 H 133 THR133 0.0255 2052 HG22 5.2346 58.8343 65.1424 H 133 THR133 0.0255 2053 HG23 5.8428 57.8474 63.8212 H 133 THR133 0.0255 2054 N 3.0930 54.8690 67.0480 N.am 134 GLU134 -0.2456 2055 CA 2.9130 53.6230 67.7540 C.3 134 GLU134 0.0883 2056 C 1.7040 52.9070 67.1930 C.2 134 GLU134 0.2187 2057 O 1.4420 51.8010 67.6010 O.2 134 GLU134 -0.2778 2058 CB 2.7153 53.8899 69.2567 C.3 134 GLU134 -0.0193 2059 CG 1.5382 54.8256 69.5899 C.3 134 GLU134 0.0356 2060 CD 1.1850 54.8161 71.0854 C.2 134 GLU134 0.1760 2061 OE1 0.0220 55.0562 71.4073 O.co2 134 GLU134 -0.6478 2062 OE2 2.0666 54.5685 71.9092 O.co2 134 GLU134 -0.6478 2063 H 2.6050 55.7190 67.3310 H 134 GLU134 0.1312 2064 HA 3.7786 52.9675 67.6481 H 134 GLU134 0.0557 2065 HB1 3.6301 54.3134 69.6717 H 134 GLU134 0.0290 2066 HB2 2.5728 52.9355 69.7669 H 134 GLU134 0.0290 2067 HG1 0.6468 54.5274 69.0416 H 134 GLU134 0.0374 2068 HG2 1.7680 55.8507 69.3051 H 134 GLU134 0.0374 2069 N 0.9920 53.5400 66.2700 N.am 135 ALA135 -0.2459 2070 CA -0.2190 52.9380 65.6930 C.3 135 ALA135 0.0850 2071 C 0.1030 51.7930 64.7460 C.2 135 ALA135 0.2184 2072 O 1.1060 51.8030 63.9960 O.2 135 ALA135 -0.2778 2073 CB -0.9850 54.0177 64.9175 C.3 135 ALA135 -0.0411 2074 H 1.2910 54.4630 65.9540 H 135 ALA135 0.1312 2075 HA -0.8326 52.5479 66.5022 H 135 ALA135 0.0554 2076 HB1 -1.9270 53.6318 64.5263 H 135 ALA135 0.0249 2077 HB2 -0.3992 54.3897 64.0772 H 135 ALA135 0.0249 2078 HB3 -1.2205 54.8681 65.5527 H 135 ALA135 0.0249 2079 N -0.7490 50.7830 64.8230 N.am 136 LEU136 -0.2457 2080 CA -0.7010 49.7120 63.8540 C.3 136 LEU136 0.0880 2081 C -0.8820 50.2990 62.4420 C.2 136 LEU136 0.2187 2082 O -0.2710 49.7960 61.4730 O.2 136 LEU136 -0.2778 2083 CB -1.8209 48.6991 64.1550 C.3 136 LEU136 -0.0266 2084 CG -2.0089 47.5742 63.1168 C.3 136 LEU136 -0.0449 2085 CD1 -0.7392 46.7447 62.8956 C.3 136 LEU136 -0.0626 2086 CD2 -3.1893 46.6851 63.5154 C.3 136 LEU136 -0.0626 2087 H -1.4430 50.7600 65.5700 H 136 LEU136 0.1312 2088 HA 0.2769 49.2402 63.9300 H 136 LEU136 0.0557 2089 HB1 -2.7646 49.2395 64.2134 H 136 LEU136 0.0287 2090 HB2 -1.6579 48.2709 65.1443 H 136 LEU136 0.0287 2091 HG -2.2731 48.0331 62.1636 H 136 LEU136 0.0296 2092 HD11 -0.9193 45.9233 62.2020 H 136 LEU136 0.0232 2093 HD12 -0.3654 46.3234 63.8273 H 136 LEU136 0.0232 2094 HD13 0.0486 47.3603 62.4683 H 136 LEU136 0.0232 2095 HD21 -3.4428 45.9877 62.7211 H 136 LEU136 0.0232 2096 HD22 -4.0672 47.2958 63.7139 H 136 LEU136 0.0232 2097 HD23 -2.9813 46.1111 64.4156 H 136 LEU136 0.0232 2098 N -1.6860 51.3610 62.3320 N.am 137 MET137 -0.2456 2099 CA -1.9790 51.9820 61.0390 C.3 137 MET137 0.0885 2100 C -0.9580 53.0030 60.5790 C.2 137 MET137 0.2187 2101 O -1.1670 53.7000 59.5830 O.2 137 MET137 -0.2778 2102 CB -3.3990 52.5664 61.0977 C.3 137 MET137 -0.0199 2103 CG -4.4699 51.4816 61.3065 C.3 137 MET137 -0.0047 2104 SD -4.4273 50.2127 60.0191 S.3 137 MET137 -0.1641 2105 CE -4.9088 51.2063 58.6000 C.3 137 MET137 -0.0181 2106 H -2.1080 51.7510 63.1750 H 137 MET137 0.1312 2107 HA -1.9642 51.1833 60.2973 H 137 MET137 0.0557 2108 HB1 -3.6238 53.1104 60.1804 H 137 MET137 0.0293 2109 HB2 -3.4615 53.2916 61.9105 H 137 MET137 0.0293 2110 HG1 -5.4552 51.9467 61.3083 H 137 MET137 0.0377 2111 HG2 -4.3599 50.9972 62.2776 H 137 MET137 0.0377 2112 HE1 -5.4630 50.5930 57.8892 H 137 MET137 0.0340 2113 HE2 -4.0290 51.6255 58.1161 H 137 MET137 0.0340 2114 HE3 -5.5606 52.0194 58.9093 H 137 MET137 0.0340 2115 N 0.1270 53.1420 61.3100 N.am 138 TYR138 -0.2453 2116 CA 1.1760 54.0240 60.8170 C.3 138 TYR138 0.0920 2117 C 1.6680 53.4590 59.4830 C.2 138 TYR138 0.2217 2118 O 1.6990 52.2420 59.3080 O.2 138 TYR138 -0.2776 2119 CB 2.2618 53.9771 61.9109 C.3 138 TYR138 -0.0036 2120 CG 3.3845 54.9583 61.7145 C.ar 138 TYR138 -0.0453 2121 CD1 3.1580 56.3281 61.8355 C.ar 138 TYR138 -0.0561 2122 CD2 4.6720 54.5092 61.4413 C.ar 138 TYR138 -0.0561 2123 CE1 4.1882 57.2362 61.6342 C.ar 138 TYR138 -0.0317 2124 CE2 5.7092 55.4155 61.2713 C.ar 138 TYR138 -0.0317 2125 CZ 5.4642 56.7780 61.3451 C.ar 138 TYR138 0.0726 2126 OH 6.4947 57.6768 61.1672 O.3 138 TYR138 -0.3598 2127 H 0.2310 52.6470 62.1960 H 138 TYR138 0.1312 2128 HA 0.7504 55.0210 60.7110 H 138 TYR138 0.0560 2129 HB1 2.6653 52.9665 61.9973 H 138 TYR138 0.0333 2130 HB2 1.8067 54.1846 62.8795 H 138 TYR138 0.0333 2131 HD1 2.1667 56.6948 62.0535 H 138 TYR138 0.0621 2132 HD2 4.8729 53.4493 61.3729 H 138 TYR138 0.0621 2133 HE1 4.0023 58.2967 61.7186 H 138 TYR138 0.0643 2134 HE2 6.7109 55.0612 61.0883 H 138 TYR138 0.0643 2135 HH 7.2836 57.2121 60.9224 H 138 TYR138 0.2173 2136 N 2.1000 54.2940 58.5330 N.am 139 PRO139 -0.2316 2137 CA 2.4560 53.7870 57.2150 C.3 139 PRO139 0.0907 2138 C 3.8130 53.1140 57.0860 C.2 139 PRO139 0.2189 2139 O 4.1520 52.7520 55.9780 O.2 139 PRO139 -0.2778 2140 CB 2.4400 55.0510 56.3423 C.3 139 PRO139 -0.0276 2141 CG 2.7843 56.1829 57.2952 C.3 139 PRO139 -0.0379 2142 CD 2.1826 55.7479 58.6275 C.3 139 PRO139 0.0071 2143 HA 1.6919 53.0813 56.8908 H 139 PRO139 0.0559 2144 HB1 1.4381 55.2210 55.9641 H 139 PRO139 0.0285 2145 HB2 3.1021 55.0181 55.4753 H 139 PRO139 0.0285 2146 HG1 2.4122 57.1513 56.9601 H 139 PRO139 0.0278 2147 HG2 3.8686 56.2575 57.3917 H 139 PRO139 0.0278 2148 HD1 2.8356 56.0437 59.4290 H 139 PRO139 0.0431 2149 HD2 1.1725 56.1293 58.7642 H 139 PRO139 0.0431 2150 N 4.5640 52.9440 58.1670 N.am 140 LEU140 -0.2456 2151 CA 5.8610 52.2550 58.0670 C.3 140 LEU140 0.0880 2152 C 5.8800 51.0060 58.9170 C.2 140 LEU140 0.2186 2153 O 5.5320 51.0710 60.0960 O.2 140 LEU140 -0.2778 2154 CB 6.9924 53.2074 58.4950 C.3 140 LEU140 -0.0266 2155 CG 7.0461 54.5313 57.7056 C.3 140 LEU140 -0.0449 2156 CD1 8.1370 55.4539 58.2654 C.3 140 LEU140 -0.0626 2157 CD2 7.2796 54.3011 56.2055 C.3 140 LEU140 -0.0626 2158 H 4.2420 53.2920 59.0700 H 140 LEU140 0.1312 2159 HA 6.0362 51.9422 57.0365 H 140 LEU140 0.0557 2160 HB1 7.9524 52.6988 58.3944 H 140 LEU140 0.0287 2161 HB2 6.8854 53.4302 59.5555 H 140 LEU140 0.0287 2162 HG 6.0947 55.0508 57.8252 H 140 LEU140 0.0296 2163 HD11 8.1566 56.4049 57.7325 H 140 LEU140 0.0232 2164 HD12 9.1234 54.9993 58.1706 H 140 LEU140 0.0232 2165 HD13 7.9731 55.6745 59.3190 H 140 LEU140 0.0232 2166 HD21 7.3487 55.2497 55.6726 H 140 LEU140 0.0232 2167 HD22 6.4689 53.7363 55.7487 H 140 LEU140 0.0232 2168 HD23 8.2070 53.7551 56.0311 H 140 LEU140 0.0232 2169 N 6.3450 49.9010 58.3340 N.am 141 TYR141 -0.2470 2170 CA 6.3860 48.5890 59.0170 C.3 141 TYR141 0.0739 2171 C 7.2380 48.5700 60.2910 C.2 141 TYR141 0.1378 2172 O 6.7240 48.2460 61.3750 O.2 141 TYR141 -0.2994 2173 CB 6.8534 47.5422 57.9818 C.3 141 TYR141 -0.0052 2174 CG 7.1402 46.1650 58.5391 C.ar 141 TYR141 -0.0453 2175 CD1 6.2932 45.5581 59.4657 C.ar 141 TYR141 -0.0561 2176 CD2 8.2708 45.4706 58.1141 C.ar 141 TYR141 -0.0561 2177 CE1 6.6089 44.3162 60.0064 C.ar 141 TYR141 -0.0317 2178 CE2 8.5832 44.2258 58.6448 C.ar 141 TYR141 -0.0317 2179 CZ 7.7665 43.6598 59.6116 C.ar 141 TYR141 0.0726 2180 OH 8.1205 42.4593 60.1935 O.3 141 TYR141 -0.3598 2181 H 6.6880 49.9620 57.3750 H 141 TYR141 0.1311 2182 HA 5.3607 48.3698 59.3165 H 141 TYR141 0.0543 2183 H 8.3060 48.8430 60.2460 H 141 TYR141 0.1043 2184 HB1 7.7540 47.9120 57.4897 H 141 TYR141 0.0332 2185 HB2 6.1015 47.4447 57.1976 H 141 TYR141 0.0332 2186 HD1 5.3964 46.0626 59.7948 H 141 TYR141 0.0621 2187 HD2 8.9242 45.9030 57.3698 H 141 TYR141 0.0621 2188 HE1 5.9593 43.8662 60.7429 H 141 TYR141 0.0643 2189 HE2 9.4704 43.7045 58.3153 H 141 TYR141 0.0643 2190 HH 8.8419 42.0723 59.7089 H 141 TYR141 0.2173 2191 N 10.6690 45.6650 64.6050 N.4 142 LEU142 -0.0641 2192 CA 10.2260 45.3250 65.9530 C.3 142 LEU142 0.1932 2193 C 10.9240 44.0500 66.4360 C.2 142 LEU142 0.2316 2194 O 11.4610 43.2990 65.6150 O.2 142 LEU142 -0.2773 2195 CB 8.6865 45.1560 65.9681 C.3 142 LEU142 -0.0142 2196 CG 8.0327 44.8425 67.3331 C.3 142 LEU142 -0.0444 2197 CD1 8.3340 45.9120 68.3933 C.3 142 LEU142 -0.0626 2198 CD2 6.5158 44.6747 67.1759 C.3 142 LEU142 -0.0626 2199 H1 11.6978 45.8211 64.6043 H 142 LEU142 0.2750 2200 H2 10.1779 46.5193 64.2718 H 142 LEU142 0.2750 2201 H3 10.4575 44.8696 63.9673 H 142 LEU142 0.2750 2202 HA 10.5209 46.1397 66.6171 H 142 LEU142 0.0690 2203 HB1 8.4070 44.3675 65.2666 H 142 LEU142 0.0292 2204 HB2 8.2306 46.0678 65.5791 H 142 LEU142 0.0292 2205 HG 8.4008 43.8849 67.7016 H 142 LEU142 0.0296 2206 HD11 7.8456 45.6645 69.3373 H 142 LEU142 0.0232 2207 HD12 7.9710 46.8917 68.0823 H 142 LEU142 0.0232 2208 HD13 9.3989 45.9980 68.6037 H 142 LEU142 0.0232 2209 HD21 6.0545 44.3849 68.1213 H 142 LEU142 0.0232 2210 HD22 6.2786 43.9014 66.4467 H 142 LEU142 0.0232 2211 HD23 6.0435 45.6003 66.8452 H 142 LEU142 0.0232 2212 N 10.9230 43.7940 67.7500 N.am 143 THR143 -0.2430 2213 CA 11.5620 42.5730 68.2750 C.3 143 THR143 0.1135 2214 C 10.7450 41.6760 69.2470 C.2 143 THR143 0.2212 2215 O 10.9600 40.4610 69.2900 O.2 143 THR143 -0.2777 2216 CB 12.8898 42.9712 68.9545 C.3 143 THR143 0.0763 2217 OG1 12.6559 44.1308 69.7395 O.3 143 THR143 -0.3900 2218 CG2 13.9896 43.2745 67.9260 C.3 143 THR143 -0.0370 2219 H 10.4770 44.4480 68.3930 H 143 THR143 0.1313 2220 HA 11.7892 41.9033 67.4450 H 143 THR143 0.0583 2221 HB 13.2327 42.1387 69.5850 H 143 THR143 0.0611 2222 HG1 13.3960 44.3129 70.3128 H 143 THR143 0.2098 2223 HG21 14.9430 43.4829 68.4122 H 143 THR143 0.0255 2224 HG22 13.7335 44.1392 67.3147 H 143 THR143 0.0255 2225 HG23 14.1440 42.4258 67.2593 H 143 THR143 0.0255 2226 N 9.8310 42.2560 70.0260 N.am 144 ASP144 -0.2450 2227 CA 8.9910 41.4460 70.9230 C.3 144 ASP144 0.0974 2228 C 7.5210 41.5120 70.5190 C.2 144 ASP144 0.2192 2229 O 6.8580 42.5200 70.7420 O.2 144 ASP144 -0.2778 2230 CB 9.1727 42.0789 72.3334 C.3 144 ASP144 0.0576 2231 CG 9.0529 43.6375 72.4832 C.2 144 ASP144 0.1780 2232 OD1 9.0157 44.1116 73.6115 O.co2 144 ASP144 -0.6478 2233 OD2 8.9988 44.3998 71.5165 O.co2 144 ASP144 -0.6478 2234 H 9.7130 43.2690 70.0000 H 144 ASP144 0.1312 2235 HA 9.3142 40.4042 70.9372 H 144 ASP144 0.0563 2236 HB1 10.1685 41.8251 72.6938 H 144 ASP144 0.0394 2237 HB2 8.4788 41.6248 73.0407 H 144 ASP144 0.0394 2238 N 7.0020 40.4300 69.9500 N.am 145 LEU145 -0.2456 2239 CA 5.6230 40.4270 69.4460 C.3 145 LEU145 0.0880 2240 C 4.5910 40.2310 70.5370 C.2 145 LEU145 0.2187 2241 O 3.3810 40.3730 70.3140 O.2 145 LEU145 -0.2778 2242 CB 5.4873 39.3239 68.3758 C.3 145 LEU145 -0.0266 2243 CG 6.4686 39.4550 67.1907 C.3 145 LEU145 -0.0449 2244 CD1 6.3287 38.2659 66.2294 C.3 145 LEU145 -0.0626 2245 CD2 6.2674 40.7695 66.4283 C.3 145 LEU145 -0.0626 2246 H 7.5710 39.5880 69.8620 H 145 LEU145 0.1312 2247 HA 5.4286 41.4020 68.9967 H 145 LEU145 0.0557 2248 HB1 4.4673 39.3163 67.9876 H 145 LEU145 0.0287 2249 HB2 5.6366 38.3515 68.8476 H 145 LEU145 0.0287 2250 HG 7.4900 39.4394 67.5729 H 145 LEU145 0.0296 2251 HD11 7.0365 38.3442 65.4036 H 145 LEU145 0.0232 2252 HD12 5.3266 38.2185 65.8016 H 145 LEU145 0.0232 2253 HD13 6.5191 37.3207 66.7385 H 145 LEU145 0.0232 2254 HD21 6.9182 40.8225 65.5553 H 145 LEU145 0.0232 2255 HD22 6.4912 41.6327 67.0540 H 145 LEU145 0.0232 2256 HD23 5.2368 40.8559 66.0834 H 145 LEU145 0.0232 2257 N 5.0870 39.8830 71.7140 N.am 146 THR146 -0.2434 2258 CA 4.2510 39.6400 72.8760 C.3 146 THR146 0.1135 2259 C 3.5850 40.9200 73.3520 C.2 146 THR146 0.2212 2260 O 2.4280 40.9090 73.7620 O.2 146 THR146 -0.2777 2261 CB 5.1110 39.0132 73.9934 C.3 146 THR146 0.0763 2262 OG1 5.7272 37.8184 73.5447 O.3 146 THR146 -0.3900 2263 CG2 4.2901 38.6357 75.2327 C.3 146 THR146 -0.0370 2264 H 6.0980 39.7810 71.8080 H 146 THR146 0.1313 2265 HA 3.4711 38.9400 72.5718 H 146 THR146 0.0583 2266 HB 5.8896 39.7186 74.3069 H 146 THR146 0.0611 2267 HG1 6.2114 37.9797 72.7411 H 146 THR146 0.2098 2268 HG21 4.9198 38.1516 75.9792 H 146 THR146 0.0255 2269 HG22 3.4894 37.9429 74.9738 H 146 THR146 0.0255 2270 HG23 3.8403 39.5113 75.7006 H 146 THR146 0.0255 2271 N 4.3360 42.0160 73.3000 N.am 147 ARG147 -0.2456 2272 CA 3.8550 43.3180 73.7400 C.3 147 ARG147 0.0879 2273 C 2.8260 43.9040 72.7790 C.2 147 ARG147 0.2187 2274 O 2.2930 44.9750 73.0380 O.2 147 ARG147 -0.2778 2275 CB 5.1858 44.0772 73.7028 C.3 147 ARG147 -0.0258 2276 CG 5.2353 45.6021 73.8090 C.3 147 ARG147 -0.0154 2277 CD 6.7158 45.9412 73.6266 C.3 147 ARG147 0.1045 2278 NE 7.0176 47.3623 73.5422 N.pl3 147 ARG147 -0.4450 2279 CZ 8.2692 47.7214 73.2600 C.cat 147 ARG147 0.5062 2280 NH1 8.5719 48.9903 73.2356 N.pl3 147 ARG147 -0.4573 2281 NH2 9.2009 46.8362 73.0073 N.pl3 147 ARG147 -0.4573 2282 H 5.2860 41.9420 72.9380 H 147 ARG147 0.1312 2283 HA 3.4405 43.2356 74.7456 H 147 ARG147 0.0557 2284 HB1 5.6734 43.8252 72.7569 H 147 ARG147 0.0286 2285 HB2 5.8328 43.6537 74.4738 H 147 ARG147 0.0286 2286 HG1 4.8592 45.9479 74.7717 H 147 ARG147 0.0299 2287 HG2 4.6411 46.0695 73.0238 H 147 ARG147 0.0299 2288 HD1 7.0626 45.4819 72.6971 H 147 ARG147 0.0711 2289 HD2 7.2886 45.5307 74.4623 H 147 ARG147 0.0711 2290 HE 6.3029 48.0394 73.6969 H 147 ARG147 0.3153 2291 HH11 9.5071 49.2658 73.0387 H 147 ARG147 0.3114 2292 HH12 7.8634 49.6673 73.4153 H 147 ARG147 0.3114 2293 HH21 10.1473 47.0750 72.8398 H 147 ARG147 0.3114 2294 HH22 8.9702 45.8460 72.9727 H 147 ARG147 0.3114 2295 N 2.4950 43.1890 71.7000 N.am 148 PHE148 -0.2453 2296 CA 1.5930 43.7970 70.7160 C.3 148 PHE148 0.0917 2297 C 0.1600 44.0860 71.1620 C.2 148 PHE148 0.2190 2298 O -0.5840 43.2060 71.5910 O.2 148 PHE148 -0.2778 2299 CB 1.5717 42.9301 69.4447 C.3 148 PHE148 -0.0036 2300 CG 0.7696 43.5861 68.3477 C.ar 148 PHE148 -0.0454 2301 CD1 1.2877 44.6761 67.6544 C.ar 148 PHE148 -0.0585 2302 CD2 -0.5346 43.1764 68.0832 C.ar 148 PHE148 -0.0585 2303 CE1 0.5158 45.3461 66.7148 C.ar 148 PHE148 -0.0615 2304 CE2 -1.3074 43.8417 67.1406 C.ar 148 PHE148 -0.0615 2305 CZ -0.7819 44.9292 66.4594 C.ar 148 PHE148 -0.0617 2306 H 2.8600 42.2460 71.5640 H 148 PHE148 0.1312 2307 HA 2.0582 44.7508 70.4550 H 148 PHE148 0.0560 2308 HB1 1.1639 41.9419 69.6635 H 148 PHE148 0.0333 2309 HB2 2.5897 42.7685 69.0883 H 148 PHE148 0.0333 2310 HD1 2.2893 45.0238 67.8609 H 148 PHE148 0.0620 2311 HD2 -0.9572 42.3448 68.6279 H 148 PHE148 0.0620 2312 HE1 0.9189 46.1986 66.1861 H 148 PHE148 0.0618 2313 HE2 -2.3176 43.5193 66.9381 H 148 PHE148 0.0618 2314 HZ -1.3795 45.4581 65.7341 H 148 PHE148 0.0618 2315 N -0.2170 45.3390 70.9900 N.am 149 ARG149 -0.2456 2316 CA -1.5800 45.7620 71.2480 C.3 149 ARG149 0.0879 2317 C -1.8560 46.9280 70.3740 C.2 149 ARG149 0.2187 2318 O -0.9460 47.6970 70.0820 O.2 149 ARG149 -0.2778 2319 CB -2.1053 45.7444 72.6961 C.3 149 ARG149 -0.0258 2320 CG -3.5617 45.2022 72.7643 C.3 149 ARG149 -0.0154 2321 CD -3.6936 43.6844 72.4519 C.3 149 ARG149 0.1045 2322 NE -5.0332 43.2801 71.9878 N.pl3 149 ARG149 -0.4450 2323 CZ -5.5489 43.5692 70.7928 C.cat 149 ARG149 0.5062 2324 NH1 -6.7299 43.1340 70.4611 N.pl3 149 ARG149 -0.4573 2325 NH2 -4.8856 44.2843 69.9286 N.pl3 149 ARG149 -0.4573 2326 H 0.4660 46.0250 70.6680 H 149 ARG149 0.1312 2327 HA -2.1345 44.9876 70.7210 H 149 ARG149 0.0557 2328 HB1 -2.0492 46.7481 73.1202 H 149 ARG149 0.0286 2329 HB2 -1.4638 45.1177 73.3164 H 149 ARG149 0.0286 2330 HG1 -4.1869 45.7848 72.0889 H 149 ARG149 0.0299 2331 HG2 -3.9685 45.3872 73.7589 H 149 ARG149 0.0299 2332 HD1 -3.4758 43.0978 73.3473 H 149 ARG149 0.0711 2333 HD2 -2.9872 43.3368 71.6983 H 149 ARG149 0.0711 2334 HE -5.6479 42.7230 72.5522 H 149 ARG149 0.3153 2335 HH11 -7.1994 43.4298 69.6342 H 149 ARG149 0.3114 2336 HH12 -7.1939 42.4523 71.0417 H 149 ARG149 0.3114 2337 HH21 -5.3018 44.5119 69.0519 H 149 ARG149 0.3114 2338 HH22 -3.9668 44.5887 70.1550 H 149 ARG149 0.3114 2339 N -3.1070 47.0630 69.9390 N.am 150 LEU150 -0.2456 2340 CA -3.5080 48.1910 69.1320 C.3 150 LEU150 0.0880 2341 C -3.2480 49.4470 69.9480 C.2 150 LEU150 0.2187 2342 O -3.3880 49.4200 71.1750 O.2 150 LEU150 -0.2778 2343 CB -5.0177 48.1553 68.8329 C.3 150 LEU150 -0.0266 2344 CG -5.4405 47.1089 67.8001 C.3 150 LEU150 -0.0449 2345 CD1 -6.9719 46.9842 67.7685 C.3 150 LEU150 -0.0626 2346 CD2 -4.8984 47.4337 66.4011 C.3 150 LEU150 -0.0626 2347 H -3.7980 46.3530 70.1810 H 150 LEU150 0.1312 2348 HA -2.8965 48.2182 68.2276 H 150 LEU150 0.0557 2349 HB1 -5.3493 49.1276 68.4710 H 150 LEU150 0.0287 2350 HB2 -5.5589 47.9898 69.7658 H 150 LEU150 0.0287 2351 HG -5.0124 46.1643 68.1145 H 150 LEU150 0.0296 2352 HD11 -7.3032 46.2456 67.0399 H 150 LEU150 0.0232 2353 HD12 -7.4311 47.9359 67.4973 H 150 LEU150 0.0232 2354 HD13 -7.3678 46.6903 68.7409 H 150 LEU150 0.0232 2355 HD21 -5.2431 46.7114 65.6631 H 150 LEU150 0.0232 2356 HD22 -3.8091 47.4331 66.3751 H 150 LEU150 0.0232 2357 HD23 -5.2298 48.4149 66.0668 H 150 LEU150 0.0232 2358 N -2.8730 50.5180 69.2670 N.am 151 SER151 -0.2436 2359 CA -2.7140 51.8250 69.8910 C.3 151 SER151 0.1109 2360 C -4.0940 52.4080 70.1800 C.2 151 SER151 0.2209 2361 O -5.1100 51.9560 69.6480 O.2 151 SER151 -0.2777 2362 CB -1.7947 52.7944 69.1377 C.3 151 SER151 0.0681 2363 OG -2.5077 53.6807 68.2791 O.3 151 SER151 -0.3930 2364 H -2.6890 50.4250 68.2680 H 151 SER151 0.1312 2365 HA -2.2399 51.6316 70.8552 H 151 SER151 0.0580 2366 HB1 -1.0499 52.2182 68.5826 H 151 SER151 0.0577 2367 HB2 -1.2460 53.3744 69.8908 H 151 SER151 0.0577 2368 HG -1.9123 54.3243 67.9097 H 151 SER151 0.2095 2369 N -4.1470 53.4190 71.0440 N.am 152 GLN152 -0.2456 2370 CA -5.4270 54.0220 71.3240 C.3 152 GLN152 0.0882 2371 C -5.9560 54.7180 70.0720 C.2 152 GLN152 0.2187 2372 O -7.1500 54.7730 69.8300 O.2 152 GLN152 -0.2778 2373 CB -5.3167 54.9829 72.5161 C.3 152 GLN152 -0.0210 2374 CG -6.6834 55.4755 73.0255 C.3 152 GLN152 0.0225 2375 CD -7.5563 54.3035 73.5031 C.2 152 GLN152 0.1981 2376 OE1 -7.1988 53.5717 74.4156 O.2 152 GLN152 -0.2798 2377 NE2 -8.7115 54.1692 72.8348 N.am 152 GLN152 -0.2724 2378 H -3.3000 53.7600 71.4990 H 152 GLN152 0.1312 2379 HA -6.1080 53.2062 71.5696 H 152 GLN152 0.0557 2380 HB1 -4.6926 55.8359 72.2461 H 152 GLN152 0.0289 2381 HB2 -4.7929 54.4791 73.3298 H 152 GLN152 0.0289 2382 HG1 -7.2107 56.0285 72.2496 H 152 GLN152 0.0356 2383 HG2 -6.5472 56.1560 73.8651 H 152 GLN152 0.0356 2384 HE21 -9.3527 53.4463 73.0906 H 152 GLN152 0.1266 2385 HE22 -8.9579 54.7790 72.0813 H 152 GLN152 0.1266 2386 N -5.0380 55.2340 69.2670 N.am 153 ASP153 -0.2451 2387 CA -5.4220 55.8580 68.0160 C.3 153 ASP153 0.0974 2388 C -6.1090 54.8420 67.0890 C.2 153 ASP153 0.2192 2389 O -7.0980 55.1540 66.4380 O.2 153 ASP153 -0.2778 2390 CB -4.2780 56.6045 67.2764 C.3 153 ASP153 0.0576 2391 CG -4.7381 57.5261 66.0895 C.2 153 ASP153 0.1780 2392 OD1 -5.3395 58.5820 66.2820 O.co2 153 ASP153 -0.6478 2393 OD2 -4.4951 57.2157 64.9285 O.co2 153 ASP153 -0.6478 2394 H -4.0530 55.1920 69.5300 H 153 ASP153 0.1312 2395 HA -6.1752 56.6020 68.2788 H 153 ASP153 0.0563 2396 HB1 -3.5594 55.8887 66.8818 H 153 ASP153 0.0394 2397 HB2 -3.7355 57.2305 67.9832 H 153 ASP153 0.0394 2398 N -5.5930 53.6130 67.0670 N.am 154 ASP154 -0.2451 2399 CA -6.1950 52.5810 66.2110 C.3 154 ASP154 0.0974 2400 C -7.5760 52.2600 66.7280 C.2 154 ASP154 0.2192 2401 O -8.5490 52.0920 65.9840 O.2 154 ASP154 -0.2778 2402 CB -5.4579 51.2378 66.2997 C.3 154 ASP154 0.0576 2403 CG -4.0662 51.1810 65.6922 C.2 154 ASP154 0.1780 2404 OD1 -3.8198 51.8004 64.6567 O.co2 154 ASP154 -0.6478 2405 OD2 -3.2419 50.4844 66.2761 O.co2 154 ASP154 -0.6478 2406 H -4.7820 53.3890 67.6430 H 154 ASP154 0.1312 2407 HA -6.2446 52.9529 65.1867 H 154 ASP154 0.0563 2408 HB1 -6.0269 50.4615 65.7890 H 154 ASP154 0.0394 2409 HB2 -5.3699 50.9380 67.3421 H 154 ASP154 0.0394 2410 N -7.6680 52.1560 68.0480 N.am 155 ILE155 -0.2454 2411 CA -8.9550 51.8580 68.6500 C.3 155 ILE155 0.0903 2412 C -9.9560 52.9770 68.4010 C.2 155 ILE155 0.2189 2413 O -11.0960 52.7130 68.0710 O.2 155 ILE155 -0.2778 2414 CB -8.6943 51.5645 70.1458 C.3 155 ILE155 -0.0201 2415 CG1 -7.8409 50.2858 70.3027 C.3 155 ILE155 -0.0514 2416 CG2 -9.9921 51.4519 70.9588 C.3 155 ILE155 -0.0605 2417 CD1 -7.2463 50.1065 71.7040 C.3 155 ILE155 -0.0650 2418 H -6.8430 52.2840 68.6340 H 155 ILE155 0.1312 2419 HA -9.3352 50.9535 68.1755 H 155 ILE155 0.0560 2420 HB -8.1246 52.4017 70.5517 H 155 ILE155 0.0318 2421 HG11 -7.0089 50.2964 69.6004 H 155 ILE155 0.0266 2422 HG12 -8.4367 49.4130 70.0364 H 155 ILE155 0.0266 2423 HG21 -9.7985 51.2084 72.0023 H 155 ILE155 0.0233 2424 HG22 -10.6492 50.6843 70.5499 H 155 ILE155 0.0233 2425 HG23 -10.5284 52.3991 70.9595 H 155 ILE155 0.0233 2426 HD11 -6.5957 49.2325 71.7365 H 155 ILE155 0.0230 2427 HD12 -8.0199 49.9705 72.4588 H 155 ILE155 0.0230 2428 HD13 -6.6462 50.9716 71.9868 H 155 ILE155 0.0230 2429 N -9.5060 54.2250 68.5490 N.am 156 ASN156 -0.2452 2430 CA -10.4050 55.3640 68.3310 C.3 156 ASN156 0.0957 2431 C -10.9010 55.4070 66.8880 C.2 156 ASN156 0.2189 2432 O -12.1110 55.6290 66.6310 O.2 156 ASN156 -0.2778 2433 CB -9.6536 56.6809 68.5950 C.3 156 ASN156 0.0446 2434 CG -9.2219 56.8521 70.0539 C.2 156 ASN156 0.2000 2435 OD1 -9.8398 56.3485 70.9794 O.2 156 ASN156 -0.2797 2436 ND2 -8.1196 57.6041 70.1998 N.am 156 ASN156 -0.2723 2437 H -8.5340 54.3870 68.8140 H 156 ASN156 0.1312 2438 HA -11.2615 55.2461 68.9986 H 156 ASN156 0.0562 2439 HB1 -10.2892 57.5322 68.3541 H 156 ASN156 0.0375 2440 HB2 -8.7662 56.7443 67.9633 H 156 ASN156 0.0375 2441 HD21 -7.7738 57.7835 71.1195 H 156 ASN156 0.1266 2442 HD22 -7.6333 57.9794 69.4113 H 156 ASN156 0.1266 2443 N -9.9500 55.1850 65.9610 N.am 157 GLY157 -0.2485 2444 CA -10.2080 55.1300 64.5350 C.3 157 GLY157 0.0765 2445 C -11.2520 54.0820 64.1930 C.2 157 GLY157 0.2155 2446 O -12.2680 54.3640 63.5790 O.2 157 GLY157 -0.2781 2447 H -8.9910 55.0470 66.2810 H 157 GLY157 0.1309 2448 HA1 -9.2664 54.9092 64.0328 H 157 GLY157 0.0521 2449 HA2 -10.5816 56.1028 64.2293 H 157 GLY157 0.0521 2450 N -10.9850 52.8320 64.5810 N.am 158 ILE158 -0.2456 2451 CA -11.9110 51.7710 64.2130 C.3 158 ILE158 0.0903 2452 C -13.2540 51.8990 64.9180 C.2 158 ILE158 0.2189 2453 O -14.2840 51.5560 64.3700 O.2 158 ILE158 -0.2778 2454 CB -11.2668 50.3878 64.4781 C.3 158 ILE158 -0.0201 2455 CG1 -11.9307 49.2700 63.6515 C.3 158 ILE158 -0.0514 2456 CG2 -11.2177 50.0138 65.9675 C.3 158 ILE158 -0.0605 2457 CD1 -11.5535 49.2920 62.1656 C.3 158 ILE158 -0.0650 2458 H -10.1470 52.6250 65.1250 H 158 ILE158 0.1312 2459 HA -12.0991 51.8790 63.1452 H 158 ILE158 0.0560 2460 HB -10.2274 50.4440 64.1699 H 158 ILE158 0.0318 2461 HG11 -13.0122 49.3362 63.7470 H 158 ILE158 0.0266 2462 HG12 -11.6498 48.2976 64.0568 H 158 ILE158 0.0266 2463 HG21 -10.6214 49.1152 66.1238 H 158 ILE158 0.0233 2464 HG22 -12.2090 49.8295 66.3786 H 158 ILE158 0.0233 2465 HG23 -10.7622 50.8120 66.5457 H 158 ILE158 0.0233 2466 HD11 -12.0548 48.4823 61.6380 H 158 ILE158 0.0230 2467 HD12 -10.4807 49.1558 62.0285 H 158 ILE158 0.0230 2468 HD13 -11.8403 50.2260 61.6838 H 158 ILE158 0.0230 2469 N -13.2240 52.4450 66.1210 N.am 159 GLN159 -0.2456 2470 CA -14.4720 52.6200 66.8290 C.3 159 GLN159 0.0882 2471 C -15.2460 53.8220 66.2660 C.2 159 GLN159 0.2187 2472 O -16.4420 53.8710 66.3970 O.2 159 GLN159 -0.2778 2473 CB -14.2013 52.7957 68.3266 C.3 159 GLN159 -0.0210 2474 CG -13.7294 51.4897 68.9892 C.3 159 GLN159 0.0225 2475 CD -13.3422 51.7447 70.4482 C.2 159 GLN159 0.1981 2476 OE1 -12.9083 52.8280 70.8129 O.2 159 GLN159 -0.2798 2477 NE2 -13.5280 50.6902 71.2546 N.am 159 GLN159 -0.2724 2478 H -12.3410 52.7360 66.5400 H 159 GLN159 0.1312 2479 HA -15.0858 51.7274 66.6868 H 159 GLN159 0.0557 2480 HB1 -15.1101 53.1276 68.8328 H 159 GLN159 0.0289 2481 HB2 -13.4660 53.5906 68.4643 H 159 GLN159 0.0289 2482 HG1 -12.8659 51.0674 68.4779 H 159 GLN159 0.0356 2483 HG2 -14.5192 50.7398 68.9547 H 159 GLN159 0.0356 2484 HE21 -13.3625 50.8042 72.2349 H 159 GLN159 0.1266 2485 HE22 -13.8451 49.8085 70.9082 H 159 GLN159 0.1266 2486 N -14.5800 54.7660 65.6160 N.am 160 SER160 -0.2436 2487 CA -15.3390 55.8440 64.9680 C.3 160 SER160 0.1109 2488 C -16.2310 55.3000 63.8580 C.2 160 SER160 0.2209 2489 O -17.2780 55.8870 63.5340 O.2 160 SER160 -0.2777 2490 CB -14.3812 56.9140 64.4151 C.3 160 SER160 0.0681 2491 OG -13.8293 56.5322 63.1584 O.3 160 SER160 -0.3930 2492 H -13.5610 54.7440 65.5670 H 160 SER160 0.1312 2493 HA -15.9716 56.2887 65.7381 H 160 SER160 0.0580 2494 HB1 -13.5957 57.1015 65.1571 H 160 SER160 0.0577 2495 HB2 -14.9341 57.8485 64.2827 H 160 SER160 0.0577 2496 HG -13.0973 57.0897 62.9111 H 160 SER160 0.2095 2497 N -15.8520 54.1650 63.2740 N.am 161 LEU161 -0.2456 2498 CA -16.6350 53.5810 62.2020 C.3 161 LEU161 0.0880 2499 C -17.6750 52.5880 62.7180 C.2 161 LEU161 0.2187 2500 O -18.8330 52.5910 62.2710 O.2 161 LEU161 -0.2778 2501 CB -15.6497 52.8173 61.2918 C.3 161 LEU161 -0.0266 2502 CG -14.6009 53.6875 60.5758 C.3 161 LEU161 -0.0449 2503 CD1 -13.5103 52.8026 59.9535 C.3 161 LEU161 -0.0626 2504 CD2 -15.2389 54.5689 59.4969 C.3 161 LEU161 -0.0626 2505 H -14.9990 53.7000 63.5850 H 161 LEU161 0.1312 2506 HA -17.1370 54.3725 61.6453 H 161 LEU161 0.0557 2507 HB1 -16.1902 52.2353 60.5440 H 161 LEU161 0.0287 2508 HB2 -15.1121 52.0954 61.9071 H 161 LEU161 0.0287 2509 HG -14.1131 54.3355 61.3061 H 161 LEU161 0.0296 2510 HD11 -12.7621 53.4031 59.4365 H 161 LEU161 0.0232 2511 HD12 -13.9313 52.1057 59.2279 H 161 LEU161 0.0232 2512 HD13 -12.9936 52.2179 60.7153 H 161 LEU161 0.0232 2513 HD21 -14.4828 55.1542 58.9787 H 161 LEU161 0.0232 2514 HD22 -15.9654 55.2643 59.9159 H 161 LEU161 0.0232 2515 HD23 -15.7367 53.9614 58.7439 H 161 LEU161 0.0232 2516 N -17.2990 51.7840 63.7330 N.am 162 TYR162 -0.2453 2517 CA -18.1440 50.6770 64.1290 C.3 162 TYR162 0.0917 2518 C -18.5710 50.6340 65.5940 C.2 162 TYR162 0.2188 2519 O -19.3450 49.7810 65.9350 O.2 162 TYR162 -0.2778 2520 CB -17.3765 49.3704 63.8501 C.3 162 TYR162 -0.0036 2521 CG -17.0489 49.2190 62.3923 C.ar 162 TYR162 -0.0453 2522 CD1 -15.7545 49.4333 61.9302 C.ar 162 TYR162 -0.0561 2523 CD2 -18.0470 48.8758 61.4869 C.ar 162 TYR162 -0.0561 2524 CE1 -15.4669 49.3358 60.5767 C.ar 162 TYR162 -0.0317 2525 CE2 -17.7586 48.7602 60.1356 C.ar 162 TYR162 -0.0317 2526 CZ -16.4719 49.0025 59.6823 C.ar 162 TYR162 0.0726 2527 OH -16.2000 48.9111 58.3381 O.3 162 TYR162 -0.3598 2528 H -16.4200 51.9550 64.2220 H 162 TYR162 0.1312 2529 HA -19.0681 50.6764 63.5504 H 162 TYR162 0.0560 2530 HB1 -17.9654 48.5017 64.1476 H 162 TYR162 0.0333 2531 HB2 -16.4566 49.3342 64.4374 H 162 TYR162 0.0333 2532 HD1 -14.9691 49.7013 62.6213 H 162 TYR162 0.0621 2533 HD2 -19.0521 48.6890 61.8361 H 162 TYR162 0.0621 2534 HE1 -14.4637 49.5185 60.2216 H 162 TYR162 0.0643 2535 HE2 -18.5347 48.4893 59.4357 H 162 TYR162 0.0643 2536 HH -16.7288 48.2179 57.9706 H 162 TYR162 0.2173 2537 N -17.9660 51.4890 66.4100 N.am 163 GLY163 -0.2484 2538 CA -18.2550 51.5600 67.8470 C.3 163 GLY163 0.0767 2539 C -17.4640 50.5040 68.6060 C.2 163 GLY163 0.2182 2540 O -16.7600 49.6760 68.0110 O.2 163 GLY163 -0.2779 2541 H -17.2700 52.1250 66.0210 H 163 GLY163 0.1309 2542 HA1 -19.3251 51.4198 68.0050 H 163 GLY163 0.0521 2543 HA2 -17.9648 52.5555 68.1827 H 163 GLY163 0.0521 2544 N -17.5340 50.5200 69.9250 N.am 164 PRO164 -0.2318 2545 CA -16.8850 49.4800 70.7260 C.3 164 PRO164 0.0909 2546 C -17.7210 48.2080 70.8100 C.2 164 PRO164 0.2216 2547 O -18.8860 48.1560 70.3690 O.2 164 PRO164 -0.2776 2548 CB -16.8617 50.1617 72.1055 C.3 164 PRO164 -0.0275 2549 CG -18.1221 51.0207 72.1255 C.3 164 PRO164 -0.0379 2550 CD -18.2449 51.5359 70.6964 C.3 164 PRO164 0.0071 2551 HA -15.8901 49.2886 70.3281 H 164 PRO164 0.0560 2552 HB1 -15.9974 50.8206 72.1808 H 164 PRO164 0.0285 2553 HB2 -16.8197 49.4845 72.9582 H 164 PRO164 0.0285 2554 HG1 -18.0735 51.8250 72.8545 H 164 PRO164 0.0278 2555 HG2 -18.9828 50.3996 72.3750 H 164 PRO164 0.0278 2556 HD1 -19.2807 51.6099 70.3645 H 164 PRO164 0.0431 2557 HD2 -17.7205 52.4841 70.5659 H 164 PRO164 0.0431 2558 N -17.1590 47.1500 71.3950 N.am 165 PRO165 -0.2316 2559 CA -17.9120 45.9040 71.5390 C.3 165 PRO165 0.0909 2560 C -19.1130 46.0530 72.4480 C.2 165 PRO165 0.2216 2561 O -19.0030 46.6950 73.4760 O.2 165 PRO165 -0.2776 2562 CB -16.8976 44.9251 72.1585 C.3 165 PRO165 -0.0275 2563 CG -15.5309 45.5838 71.9895 C.3 165 PRO165 -0.0379 2564 CD -15.8148 47.0853 71.9601 C.3 165 PRO165 0.0071 2565 HA -18.1746 45.6024 70.5265 H 165 PRO165 0.0560 2566 HB1 -16.9408 43.9416 71.6891 H 165 PRO165 0.0285 2567 HB2 -17.0821 44.7716 73.2234 H 165 PRO165 0.0285 2568 HG1 -15.1039 45.2637 71.0410 H 165 PRO165 0.0278 2569 HG2 -14.8306 45.3049 72.7770 H 165 PRO165 0.0278 2570 HD1 -15.8709 47.4966 72.9688 H 165 PRO165 0.0431 2571 HD2 -15.0971 47.6459 71.3697 H 165 PRO165 0.0431 2572 N -20.2230 45.4520 72.0750 N.am 166 PRO166 -0.2316 2573 CA -21.4530 45.6300 72.8530 C.3 166 PRO166 0.0907 2574 C -21.3920 44.9810 74.2540 C.2 166 PRO166 0.2189 2575 O -22.1630 45.3910 75.1100 O.2 166 PRO166 -0.2778 2576 CB -22.5047 44.9499 71.9675 C.3 166 PRO166 -0.0276 2577 CG -21.7246 43.9200 71.1506 C.3 166 PRO166 -0.0379 2578 CD -20.3533 44.5564 70.9323 C.3 166 PRO166 0.0071 2579 HA -21.6431 46.6985 72.9644 H 166 PRO166 0.0559 2580 HB1 -22.9299 45.6907 71.2903 H 166 PRO166 0.0285 2581 HB2 -23.3297 44.5067 72.5265 H 166 PRO166 0.0285 2582 HG1 -22.2179 43.6515 70.2169 H 166 PRO166 0.0278 2583 HG2 -21.6035 43.0091 71.7398 H 166 PRO166 0.0278 2584 HD1 -19.5465 43.8197 70.9431 H 166 PRO166 0.0431 2585 HD2 -20.3147 45.1725 70.0352 H 166 PRO166 0.0431 2586 N -20.5200 44.0120 74.4830 N.am 167 ASP167 -0.2451 2587 CA -20.4410 43.3690 75.7930 C.3 167 ASP167 0.0974 2588 C -19.2820 43.9610 76.6160 C.2 167 ASP167 0.2193 2589 O -18.9120 43.4200 77.6460 O.2 167 ASP167 -0.2778 2590 CB -20.2757 41.8505 75.5841 C.3 167 ASP167 0.0576 2591 CG -19.2017 41.4993 74.5400 C.2 167 ASP167 0.1780 2592 OD1 -18.0765 41.2003 74.9283 O.co2 167 ASP167 -0.6478 2593 OD2 -19.5076 41.5256 73.3476 O.co2 167 ASP167 -0.6478 2594 H -19.8950 43.7100 73.7350 H 167 ASP167 0.1312 2595 HA -21.3603 43.5467 76.3505 H 167 ASP167 0.0563 2596 HB1 -21.2154 41.4304 75.2291 H 167 ASP167 0.0394 2597 HB2 -20.0428 41.3417 76.5191 H 167 ASP167 0.0394 2598 N -18.6730 45.0440 76.1620 N.am 168 SER168 -0.2436 2599 CA -17.5480 45.6230 76.8810 C.3 168 SER168 0.1111 2600 C -18.0050 46.8920 77.5420 C.2 168 SER168 0.2236 2601 O -18.8820 47.5840 77.0410 O.2 168 SER168 -0.2775 2602 CB -16.4582 45.9565 75.8478 C.3 168 SER168 0.0681 2603 OG -15.3316 46.6136 76.4122 O.3 168 SER168 -0.3930 2604 H -18.9960 45.4790 75.2980 H 168 SER168 0.1312 2605 HA -17.1543 44.9104 77.6037 H 168 SER168 0.0580 2606 HB1 -16.8686 46.5433 75.0164 H 168 SER168 0.0577 2607 HB2 -16.1023 45.0273 75.3999 H 168 SER168 0.0577 2608 HG -15.5865 47.4878 76.7091 H 168 SER168 0.2095 2609 N -17.4690 47.2230 78.7010 N.am 169 PRO169 -0.2315 2610 CA -17.8140 48.5300 79.2840 C.3 169 PRO169 0.0907 2611 C -16.9000 49.5690 78.6390 C.2 169 PRO169 0.2189 2612 O -15.9490 49.2090 77.9240 O.2 169 PRO169 -0.2778 2613 CB -17.4284 48.3169 80.7514 C.3 169 PRO169 -0.0276 2614 CG -16.2668 47.3182 80.7064 C.3 169 PRO169 -0.0379 2615 CD -16.5625 46.4120 79.5068 C.3 169 PRO169 0.0071 2616 HA -18.8675 48.7749 79.1386 H 169 PRO169 0.0559 2617 HB1 -18.2698 47.8650 81.2767 H 169 PRO169 0.0285 2618 HB2 -17.1737 49.2404 81.2741 H 169 PRO169 0.0285 2619 HG1 -16.1526 46.7611 81.6359 H 169 PRO169 0.0278 2620 HG2 -15.3369 47.8593 80.5261 H 169 PRO169 0.0278 2621 HD1 -15.6714 46.1589 78.9317 H 169 PRO169 0.0431 2622 HD2 -17.1023 45.5093 79.7971 H 169 PRO169 0.0431 2623 N -17.2240 50.8520 78.8340 N.am 170 GLU170 -0.2456 2624 CA -16.3390 51.9270 78.4460 C.3 170 GLU170 0.0883 2625 C -15.7060 52.5230 79.7250 C.2 170 GLU170 0.2188 2626 O -16.3840 52.7540 80.7150 O.2 170 GLU170 -0.2778 2627 CB -17.1665 52.9898 77.6866 C.3 170 GLU170 -0.0193 2628 CG -16.4179 53.6642 76.5163 C.3 170 GLU170 0.0356 2629 CD -16.8395 53.0906 75.1449 C.2 170 GLU170 0.1760 2630 OE1 -16.1521 52.2132 74.6216 O.co2 170 GLU170 -0.6478 2631 OE2 -17.8586 53.5333 74.6097 O.co2 170 GLU170 -0.6478 2632 H -18.1190 51.0780 79.2680 H 170 GLU170 0.1312 2633 HA -15.5529 51.5384 77.7950 H 170 GLU170 0.0557 2634 HB1 -17.5070 53.7611 78.3792 H 170 GLU170 0.0290 2635 HB2 -18.0869 52.5404 77.3102 H 170 GLU170 0.0290 2636 HG1 -15.3375 53.5812 76.6317 H 170 GLU170 0.0374 2637 HG2 -16.6409 54.7304 76.5037 H 170 GLU170 0.0374 2638 N -14.4240 52.8110 79.6940 N.am 171 THR171 -0.2419 2639 CA -13.7990 53.4940 80.7990 C.3 171 THR171 0.1264 2640 C -14.1920 54.9460 80.8310 C.2 171 THR171 0.1969 2641 O -13.9900 55.6450 81.7950 O.co2 171 THR171 -0.6466 2642 CB -12.2651 53.3151 80.7526 C.3 171 THR171 0.0781 2643 OG1 -11.7682 53.3878 79.4198 O.3 171 THR171 -0.3900 2644 CG2 -11.8587 51.9542 81.3357 C.3 171 THR171 -0.0369 2645 OXT -14.7275 55.4500 79.8442 O.co2 171 THR171 -0.6466 2646 H -13.8660 52.5490 78.8810 H 171 THR171 0.1313 2647 HA -14.1817 53.0606 81.7229 H 171 THR171 0.0602 2648 HB -11.8236 54.1064 81.3727 H 171 THR171 0.0612 2649 HG1 -10.8246 53.4886 79.4078 H 171 THR171 0.2098 2650 HG21 -10.7758 51.8388 81.3727 H 171 THR171 0.0255 2651 HG22 -12.2642 51.1401 80.7346 H 171 THR171 0.0255 2652 HG23 -12.2359 51.8398 82.3517 H 171 THR171 0.0255 2653 ZN -1.1130 50.7700 54.9880 Zn 172 ZN172 2.0000 2654 ZN -3.4170 43.1610 44.5020 Zn 173 ZN173 2.0000 2655 CA 7.4260 44.1130 47.4870 Ca 174 CA174 2.0000 2656 CA 7.6630 34.5580 49.7500 Ca 175 CA175 2.0000 2657 CA -14.2410 41.7720 48.6950 Ca 176 CA176 2.0000 2658 O -16.4280 42.5550 49.1180 O.t3p 177 HOH180 -0.4105 2659 H1 -15.4780 42.5550 49.1180 H.t3p 177 HOH180 0.2052 2660 H2 -16.6740 43.4730 49.1180 H.t3p 177 HOH180 0.2052 2661 O 9.9970 34.4800 49.7870 O.t3p 178 HOH183 -0.4105 2662 H1 10.9470 34.4800 49.7870 H.t3p 178 HOH183 0.2052 2663 H2 9.7510 35.3980 49.7870 H.t3p 178 HOH183 0.2052 2664 O 7.9530 33.0420 47.9450 O.t3p 179 HOH197 -0.4105 2665 H1 8.9030 33.0420 47.9450 H.t3p 179 HOH197 0.2052 2666 H2 7.7070 33.9600 47.9450 H.t3p 179 HOH197 0.2052 2667 O -15.2880 39.7860 47.9640 O.t3p 180 HOH204 -0.4105 2668 H1 -14.3380 39.7860 47.9640 H.t3p 180 HOH204 0.2052 2669 H2 -15.5340 40.7040 47.9640 H.t3p 180 HOH204 0.2052 @BOND 1 1 2 1 2 1 12 1 3 1 13 1 4 1 14 1 5 2 5 1 6 2 3 1 7 2 15 1 8 3 4 2 9 3 23 am 10 5 6 1 11 5 16 1 12 5 17 1 13 6 7 ar 14 6 8 ar 15 7 9 ar 16 7 18 1 17 8 10 ar 18 8 19 1 19 9 11 ar 20 9 20 1 21 10 11 ar 22 10 21 1 23 11 22 1 24 23 24 1 25 23 34 1 26 24 27 1 27 24 25 1 28 24 35 1 29 25 26 2 30 25 47 am 31 27 28 1 32 27 36 1 33 27 37 1 34 28 29 1 35 28 38 1 36 28 39 1 37 29 30 1 38 29 40 1 39 29 41 1 40 30 31 ar 41 30 42 1 42 31 32 ar 43 31 33 ar 44 32 43 1 45 32 44 1 46 33 45 1 47 33 46 1 48 47 48 1 49 47 54 1 50 48 51 1 51 48 49 1 52 48 55 1 53 49 50 2 54 49 61 am 55 51 53 1 56 51 52 1 57 51 56 1 58 52 57 1 59 53 58 1 60 53 59 1 61 53 60 1 62 61 62 1 63 61 72 1 64 62 65 1 65 62 63 1 66 62 73 1 67 63 64 2 68 63 81 am 69 65 66 1 70 65 74 1 71 65 75 1 72 66 67 ar 73 66 68 ar 74 67 69 ar 75 67 76 1 76 68 70 ar 77 68 77 1 78 69 71 ar 79 69 78 1 80 70 71 ar 81 70 79 1 82 71 80 1 83 81 87 1 84 81 82 1 85 82 85 1 86 82 83 1 87 82 88 1 88 83 84 2 89 83 95 am 90 85 86 1 91 85 89 1 92 85 90 1 93 86 87 1 94 86 91 1 95 86 92 1 96 87 93 1 97 87 94 1 98 95 96 1 99 95 99 1 100 96 97 1 101 96 100 1 102 96 101 1 103 97 98 2 104 97 102 am 105 102 103 1 106 102 110 1 107 103 106 1 108 103 104 1 109 103 111 1 110 104 105 2 111 104 121 am 112 106 108 1 113 106 107 1 114 106 112 1 115 107 109 1 116 107 113 1 117 107 114 1 118 108 115 1 119 108 116 1 120 108 117 1 121 109 118 1 122 109 119 1 123 109 120 1 124 121 127 1 125 121 122 1 126 122 125 1 127 122 123 1 128 122 128 1 129 123 124 2 130 123 135 am 131 125 126 1 132 125 129 1 133 125 130 1 134 126 127 1 135 126 131 1 136 126 132 1 137 127 133 1 138 127 134 1 139 135 136 1 140 135 144 1 141 136 139 1 142 136 137 1 143 136 145 1 144 137 138 2 145 137 157 am 146 139 140 1 147 139 146 1 148 139 147 1 149 140 141 1 150 140 148 1 151 140 149 1 152 141 142 1 153 141 150 1 154 141 151 1 155 142 143 1 156 142 152 1 157 142 153 1 158 143 154 1 159 143 155 1 160 143 156 1 161 157 158 1 162 157 171 1 163 158 161 1 164 158 159 1 165 158 172 1 166 159 160 2 167 159 181 am 168 161 162 1 169 161 173 1 170 161 174 1 171 162 163 ar 172 162 164 ar 173 163 165 ar 174 163 175 1 175 164 166 ar 176 164 167 ar 177 165 166 ar 178 165 176 1 179 166 168 ar 180 167 169 ar 181 167 177 1 182 168 170 ar 183 168 178 1 184 169 170 ar 185 169 179 1 186 170 180 1 187 181 182 1 188 181 192 1 189 182 185 1 190 182 183 1 191 182 193 1 192 183 184 2 193 183 205 am 194 185 186 1 195 185 194 1 196 185 195 1 197 186 187 1 198 186 196 1 199 186 197 1 200 187 188 1 201 187 198 1 202 187 199 1 203 188 189 ar 204 188 200 1 205 189 190 ar 206 189 191 ar 207 190 201 1 208 190 202 1 209 191 203 1 210 191 204 1 211 205 206 1 212 205 214 1 213 206 209 1 214 206 207 1 215 206 215 1 216 207 208 2 217 207 227 am 218 209 210 1 219 209 216 1 220 209 217 1 221 210 211 1 222 210 218 1 223 210 219 1 224 211 212 1 225 211 220 1 226 211 221 1 227 212 213 1 228 212 222 1 229 212 223 1 230 213 224 1 231 213 225 1 232 213 226 1 233 227 228 1 234 227 234 1 235 228 231 1 236 228 229 1 237 228 235 1 238 229 230 2 239 229 241 am 240 231 233 1 241 231 232 1 242 231 236 1 243 232 237 1 244 233 238 1 245 233 239 1 246 233 240 1 247 241 242 1 248 241 251 1 249 242 245 1 250 242 243 1 251 242 252 1 252 243 244 2 253 243 258 am 254 245 246 1 255 245 253 1 256 245 254 1 257 246 247 ar 258 246 248 ar 259 247 249 ar 260 248 250 ar 261 248 255 1 262 249 250 ar 263 249 256 1 264 250 257 1 265 258 259 1 266 258 266 1 267 259 262 1 268 259 260 1 269 259 267 1 270 260 261 2 271 260 277 am 272 262 263 1 273 262 268 1 274 262 269 1 275 263 264 1 276 263 265 1 277 263 270 1 278 264 271 1 279 264 272 1 280 264 273 1 281 265 274 1 282 265 275 1 283 265 276 1 284 277 278 1 285 277 284 1 286 278 281 1 287 278 279 1 288 278 285 1 289 279 280 2 290 279 291 am 291 281 283 1 292 281 282 1 293 281 286 1 294 282 287 1 295 283 288 1 296 283 289 1 297 283 290 1 298 291 292 1 299 291 303 1 300 292 295 1 301 292 293 1 302 292 304 1 303 293 294 2 304 293 312 am 305 295 296 1 306 295 305 1 307 295 306 1 308 296 297 ar 309 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2529 2488 2489 2 2530 2488 2497 am 2531 2490 2491 1 2532 2490 2494 1 2533 2490 2495 1 2534 2491 2496 1 2535 2497 2498 1 2536 2497 2505 1 2537 2498 2501 1 2538 2498 2499 1 2539 2498 2506 1 2540 2499 2500 2 2541 2499 2516 am 2542 2501 2502 1 2543 2501 2507 1 2544 2501 2508 1 2545 2502 2503 1 2546 2502 2504 1 2547 2502 2509 1 2548 2503 2510 1 2549 2503 2511 1 2550 2503 2512 1 2551 2504 2513 1 2552 2504 2514 1 2553 2504 2515 1 2554 2516 2517 1 2555 2516 2528 1 2556 2517 2520 1 2557 2517 2518 1 2558 2517 2529 1 2559 2518 2519 2 2560 2518 2537 am 2561 2520 2521 1 2562 2520 2530 1 2563 2520 2531 1 2564 2521 2522 ar 2565 2521 2523 ar 2566 2522 2524 ar 2567 2522 2532 1 2568 2523 2525 ar 2569 2523 2533 1 2570 2524 2526 ar 2571 2524 2534 1 2572 2525 2526 ar 2573 2525 2535 1 2574 2526 2527 1 2575 2527 2536 1 2576 2537 2538 1 2577 2537 2541 1 2578 2538 2539 1 2579 2538 2542 1 2580 2538 2543 1 2581 2539 2540 2 2582 2539 2544 am 2583 2544 2550 1 2584 2544 2545 1 2585 2545 2548 1 2586 2545 2546 1 2587 2545 2551 1 2588 2546 2547 2 2589 2546 2558 am 2590 2548 2549 1 2591 2548 2552 1 2592 2548 2553 1 2593 2549 2550 1 2594 2549 2554 1 2595 2549 2555 1 2596 2550 2556 1 2597 2550 2557 1 2598 2558 2564 1 2599 2558 2559 1 2600 2559 2562 1 2601 2559 2560 1 2602 2559 2565 1 2603 2560 2561 2 2604 2560 2572 am 2605 2562 2563 1 2606 2562 2566 1 2607 2562 2567 1 2608 2563 2564 1 2609 2563 2568 1 2610 2563 2569 1 2611 2564 2570 1 2612 2564 2571 1 2613 2572 2578 1 2614 2572 2573 1 2615 2573 2576 1 2616 2573 2574 1 2617 2573 2579 1 2618 2574 2575 2 2619 2574 2586 am 2620 2576 2577 1 2621 2576 2580 1 2622 2576 2581 1 2623 2577 2578 1 2624 2577 2582 1 2625 2577 2583 1 2626 2578 2584 1 2627 2578 2585 1 2628 2586 2587 1 2629 2586 2594 1 2630 2587 2590 1 2631 2587 2588 1 2632 2587 2595 1 2633 2588 2589 2 2634 2588 2598 am 2635 2590 2591 1 2636 2590 2596 1 2637 2590 2597 1 2638 2591 2592 ar 2639 2591 2593 ar 2640 2598 2599 1 2641 2598 2604 1 2642 2599 2602 1 2643 2599 2600 1 2644 2599 2605 1 2645 2600 2601 2 2646 2600 2609 am 2647 2602 2603 1 2648 2602 2606 1 2649 2602 2607 1 2650 2603 2608 1 2651 2609 2615 1 2652 2609 2610 1 2653 2610 2613 1 2654 2610 2611 1 2655 2610 2616 1 2656 2611 2612 2 2657 2611 2623 am 2658 2613 2614 1 2659 2613 2617 1 2660 2613 2618 1 2661 2614 2615 1 2662 2614 2619 1 2663 2614 2620 1 2664 2615 2621 1 2665 2615 2622 1 2666 2623 2624 1 2667 2623 2632 1 2668 2624 2627 1 2669 2624 2625 1 2670 2624 2633 1 2671 2625 2626 2 2672 2625 2638 am 2673 2627 2628 1 2674 2627 2634 1 2675 2627 2635 1 2676 2628 2629 1 2677 2628 2636 1 2678 2628 2637 1 2679 2629 2630 ar 2680 2629 2631 ar 2681 2638 2639 1 2682 2638 2646 1 2683 2639 2642 1 2684 2639 2640 1 2685 2639 2647 1 2686 2640 2641 ar 2687 2640 2645 ar 2688 2642 2644 1 2689 2642 2643 1 2690 2642 2648 1 2691 2643 2649 1 2692 2644 2650 1 2693 2644 2651 1 2694 2644 2652 1 2695 2658 2659 1 2696 2658 2660 1 2697 2661 2662 1 2698 2661 2663 1 2699 2664 2665 1 2700 2664 2666 1 2701 2667 2668 1 2702 2667 2669 1 @SUBSTRUCTURE 1 PHE1 2 RESIDUE 1 B PHE 1 ROOT 2 ARG2 24 RESIDUE 1 B ARG 2 3 THR3 48 RESIDUE 1 B THR 2 4 PHE4 62 RESIDUE 1 B PHE 2 5 PRO5 82 RESIDUE 1 B PRO 2 6 GLY6 96 RESIDUE 1 B GLY 2 7 ILE7 103 RESIDUE 1 B ILE 2 8 PRO8 122 RESIDUE 1 B PRO 2 9 LYS9 136 RESIDUE 1 B LYS 2 10 TRP10 158 RESIDUE 1 B TRP 2 11 ARG11 182 RESIDUE 1 B ARG 2 12 LYS12 206 RESIDUE 1 B LYS 2 13 THR13 228 RESIDUE 1 B THR 2 14 HIS14 242 RESIDUE 1 B HIS 2 15 LEU15 259 RESIDUE 1 B LEU 2 16 THR16 278 RESIDUE 1 B THR 2 17 TYR17 292 RESIDUE 1 B TYR 2 18 ARG18 313 RESIDUE 1 B ARG 2 19 ILE19 337 RESIDUE 1 B ILE 2 20 VAL20 356 RESIDUE 1 B VAL 2 21 ASN21 372 RESIDUE 1 B ASN 2 22 TYR22 386 RESIDUE 1 B TYR 2 23 THR23 407 RESIDUE 1 B THR 2 24 PRO24 421 RESIDUE 1 B PRO 2 25 ASP25 435 RESIDUE 1 B ASP 2 26 LEU26 447 RESIDUE 1 B LEU 2 27 PRO27 466 RESIDUE 1 B PRO 2 28 LYS28 480 RESIDUE 1 B LYS 2 29 ASP29 502 RESIDUE 1 B ASP 2 30 ALA30 514 RESIDUE 1 B ALA 2 31 VAL31 524 RESIDUE 1 B VAL 2 32 ASP32 540 RESIDUE 1 B ASP 2 33 SER33 552 RESIDUE 1 B SER 2 34 ALA34 563 RESIDUE 1 B ALA 2 35 VAL35 573 RESIDUE 1 B VAL 2 36 GLU36 589 RESIDUE 1 B GLU 2 37 LYS37 604 RESIDUE 1 B LYS 2 38 ALA38 626 RESIDUE 1 B ALA 2 39 LEU39 636 RESIDUE 1 B LEU 2 40 LYS40 655 RESIDUE 1 B LYS 2 41 VAL41 677 RESIDUE 1 B VAL 2 42 TRP42 693 RESIDUE 1 B TRP 2 43 GLU43 717 RESIDUE 1 B GLU 2 44 GLU44 732 RESIDUE 1 B GLU 2 45 VAL45 747 RESIDUE 1 B VAL 2 46 THR46 763 RESIDUE 1 B THR 2 47 PRO47 777 RESIDUE 1 B PRO 2 48 LEU48 791 RESIDUE 1 B LEU 2 49 THR49 810 RESIDUE 1 B THR 2 50 PHE50 824 RESIDUE 1 B PHE 2 51 SER51 844 RESIDUE 1 B SER 2 52 ARG52 855 RESIDUE 1 B ARG 2 53 LEU53 879 RESIDUE 1 B LEU 2 54 TYR54 898 RESIDUE 1 B TYR 2 55 GLU55 919 RESIDUE 1 B GLU 2 56 GLY56 934 RESIDUE 1 B GLY 2 57 GLU57 941 RESIDUE 1 B GLU 2 58 ALA58 956 RESIDUE 1 B ALA 2 59 ASP59 966 RESIDUE 1 B ASP 2 60 ILE60 978 RESIDUE 1 B ILE 2 61 MET61 997 RESIDUE 1 B MET 2 62 ILE62 1014 RESIDUE 1 B ILE 2 63 SER63 1033 RESIDUE 1 B SER 2 64 PHE64 1044 RESIDUE 1 B PHE 2 65 ALA65 1064 RESIDUE 1 B ALA 2 66 VAL66 1074 RESIDUE 1 B VAL 2 67 ARG67 1090 RESIDUE 1 B ARG 2 68 GLU68 1114 RESIDUE 1 B GLU 2 69 HIS69 1129 RESIDUE 1 B HIS 2 70 GLY70 1146 RESIDUE 1 B GLY 2 71 ASP71 1153 RESIDUE 1 B ASP 2 72 PHE72 1165 RESIDUE 1 B PHE 2 73 TYR73 1185 RESIDUE 1 B TYR 2 74 PRO74 1206 RESIDUE 1 B PRO 2 75 PHE75 1220 RESIDUE 1 B PHE 2 76 ASP76 1240 RESIDUE 1 B ASP 1 77 GLY77 1253 RESIDUE 1 B GLY 1 ROOT 78 PRO78 1262 RESIDUE 1 B PRO 2 79 GLY79 1276 RESIDUE 1 B GLY 2 80 ASN80 1283 RESIDUE 1 B ASN 2 81 VAL81 1297 RESIDUE 1 B VAL 2 82 LEU82 1313 RESIDUE 1 B LEU 2 83 ALA83 1332 RESIDUE 1 B ALA 2 84 HIS84 1342 RESIDUE 1 B HIS 2 85 ALA85 1359 RESIDUE 1 B ALA 2 86 TYR86 1369 RESIDUE 1 B TYR 2 87 ALA87 1390 RESIDUE 1 B ALA 2 88 PRO88 1400 RESIDUE 1 B PRO 2 89 GLY89 1414 RESIDUE 1 B GLY 2 90 PRO90 1421 RESIDUE 1 B PRO 2 91 GLY91 1435 RESIDUE 1 B GLY 2 92 ILE92 1442 RESIDUE 1 B ILE 2 93 ASN93 1461 RESIDUE 1 B ASN 2 94 GLY94 1475 RESIDUE 1 B GLY 2 95 ASP95 1482 RESIDUE 1 B ASP 2 96 ALA96 1494 RESIDUE 1 B ALA 2 97 HIS97 1504 RESIDUE 1 B HIS 2 98 PHE98 1521 RESIDUE 1 B PHE 2 99 ASP99 1541 RESIDUE 1 B ASP 2 100 ASP100 1553 RESIDUE 1 B ASP 2 101 ASP101 1565 RESIDUE 1 B ASP 2 102 GLU102 1577 RESIDUE 1 B GLU 2 103 GLN103 1592 RESIDUE 1 B GLN 2 104 TRP104 1609 RESIDUE 1 B TRP 2 105 THR105 1633 RESIDUE 1 B THR 2 106 LYS106 1647 RESIDUE 1 B LYS 2 107 ASP107 1669 RESIDUE 1 B ASP 2 108 THR108 1681 RESIDUE 1 B THR 2 109 THR109 1695 RESIDUE 1 B THR 2 110 GLY110 1709 RESIDUE 1 B GLY 2 111 THR111 1716 RESIDUE 1 B THR 2 112 ASN112 1730 RESIDUE 1 B ASN 2 113 LEU113 1744 RESIDUE 1 B LEU 2 114 PHE114 1763 RESIDUE 1 B PHE 2 115 LEU115 1783 RESIDUE 1 B LEU 2 116 VAL116 1802 RESIDUE 1 B VAL 2 117 ALA117 1818 RESIDUE 1 B ALA 2 118 ALA118 1828 RESIDUE 1 B ALA 2 119 HIS119 1838 RESIDUE 1 B HIS 2 120 GLU120 1855 RESIDUE 1 B GLU 2 121 ILE121 1870 RESIDUE 1 B ILE 2 122 GLY122 1889 RESIDUE 1 B GLY 2 123 HIS123 1896 RESIDUE 1 B HIS 2 124 SER124 1913 RESIDUE 1 B SER 2 125 LEU125 1924 RESIDUE 1 B LEU 2 126 GLY126 1943 RESIDUE 1 B GLY 2 127 LEU127 1950 RESIDUE 1 B LEU 2 128 PHE128 1969 RESIDUE 1 B PHE 2 129 HIS129 1989 RESIDUE 1 B HIS 2 130 SER130 2006 RESIDUE 1 B SER 2 131 ALA131 2017 RESIDUE 1 B ALA 2 132 ASN132 2027 RESIDUE 1 B ASN 2 133 THR133 2041 RESIDUE 1 B THR 2 134 GLU134 2055 RESIDUE 1 B GLU 2 135 ALA135 2070 RESIDUE 1 B ALA 2 136 LEU136 2080 RESIDUE 1 B LEU 2 137 MET137 2099 RESIDUE 1 B MET 2 138 TYR138 2116 RESIDUE 1 B TYR 2 139 PRO139 2137 RESIDUE 1 B PRO 2 140 LEU140 2151 RESIDUE 1 B LEU 2 141 TYR141 2170 RESIDUE 1 B TYR 1 142 LEU142 2192 RESIDUE 1 B LEU 1 ROOT 143 THR143 2213 RESIDUE 1 B THR 2 144 ASP144 2227 RESIDUE 1 B ASP 2 145 LEU145 2239 RESIDUE 1 B LEU 2 146 THR146 2258 RESIDUE 1 B THR 2 147 ARG147 2272 RESIDUE 1 B ARG 2 148 PHE148 2296 RESIDUE 1 B PHE 2 149 ARG149 2316 RESIDUE 1 B ARG 2 150 LEU150 2340 RESIDUE 1 B LEU 2 151 SER151 2359 RESIDUE 1 B SER 2 152 GLN152 2370 RESIDUE 1 B GLN 2 153 ASP153 2387 RESIDUE 1 B ASP 2 154 ASP154 2399 RESIDUE 1 B ASP 2 155 ILE155 2411 RESIDUE 1 B ILE 2 156 ASN156 2430 RESIDUE 1 B ASN 2 157 GLY157 2444 RESIDUE 1 B GLY 2 158 ILE158 2451 RESIDUE 1 B ILE 2 159 GLN159 2470 RESIDUE 1 B GLN 2 160 SER160 2487 RESIDUE 1 B SER 2 161 LEU161 2498 RESIDUE 1 B LEU 2 162 TYR162 2517 RESIDUE 1 B TYR 2 163 GLY163 2538 RESIDUE 1 B GLY 2 164 PRO164 2545 RESIDUE 1 B PRO 2 165 PRO165 2559 RESIDUE 1 B PRO 2 166 PRO166 2573 RESIDUE 1 B PRO 2 167 ASP167 2587 RESIDUE 1 B ASP 2 168 SER168 2599 RESIDUE 1 B SER 2 169 PRO169 2610 RESIDUE 1 B PRO 2 170 GLU170 2624 RESIDUE 1 B GLU 2 171 THR171 2639 RESIDUE 1 B THR 1 172 ZN172 2653 RESIDUE 1 B ZN 0 ROOT 173 ZN173 2654 RESIDUE 1 B ZN 0 ROOT 174 CA174 2655 RESIDUE 1 B CA 0 ROOT 175 CA175 2656 RESIDUE 1 B CA 0 ROOT 176 CA176 2657 RESIDUE 1 B CA 0 ROOT 177 HOH180 2658 RESIDUE 1 B HOH 0 ROOT 178 HOH183 2661 RESIDUE 1 B HOH 0 ROOT 179 HOH197 2664 RESIDUE 1 B HOH 0 ROOT 180 HOH204 2667 RESIDUE 1 B HOH 0 ROOT