#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 3I6C_min 1761 1776 113 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N -2.4970 39.4370 35.8180 N.4 1 GLU1 -0.0641 2 H1 -2.2713 40.4397 36.0166 H 1 GLU1 0.2750 3 H2 -2.2381 39.3756 34.8031 H 1 GLU1 0.2750 4 H3 -1.9382 38.7782 36.3823 H 1 GLU1 0.2750 5 CA -3.9140 39.2250 35.9380 C.3 1 GLU1 0.1937 6 HA -4.1061 38.9841 36.9835 H 1 GLU1 0.0690 7 C -4.5080 38.0840 35.1330 C.2 1 GLU1 0.2342 8 O -5.6210 38.2550 34.5830 O.2 1 GLU1 -0.2771 9 CB -4.6941 40.5433 35.6175 C.3 1 GLU1 -0.0068 10 HB1 -5.7645 40.4129 35.7828 H 1 GLU1 0.0295 11 HB2 -4.3923 41.2978 36.3457 H 1 GLU1 0.0295 12 CG -4.4620 41.1324 34.2006 C.3 1 GLU1 0.0360 13 HG1 -4.9587 40.5430 33.4294 H 1 GLU1 0.0374 14 HG2 -4.8125 42.1611 34.1208 H 1 GLU1 0.0374 15 CD -2.9570 41.0840 33.9898 C.2 1 GLU1 0.1760 16 OE1 -2.2430 41.7970 34.6803 O.co2 1 GLU1 -0.6478 17 OE2 -2.4855 40.2544 33.2276 O.co2 1 GLU1 -0.6478 18 N -3.9020 36.9200 34.9940 N.am 2 PRO2 -0.2312 19 CA -4.6470 35.8420 34.3440 C.3 2 PRO2 0.0907 20 HA -4.9865 36.1812 33.3624 H 2 PRO2 0.0559 21 C -5.8400 35.4310 35.2220 C.2 2 PRO2 0.2189 22 O -5.7760 35.4510 36.4750 O.2 2 PRO2 -0.2778 23 CB -3.5908 34.7417 34.2175 C.3 2 PRO2 -0.0276 24 HB1 -3.0784 34.8502 33.2609 H 2 PRO2 0.0285 25 HB2 -4.0089 33.7381 34.2390 H 2 PRO2 0.0285 26 CG -2.5955 35.0190 35.3440 C.3 2 PRO2 -0.0379 27 HG1 -1.6104 34.5949 35.1493 H 2 PRO2 0.0278 28 HG2 -2.9707 34.5758 36.2681 H 2 PRO2 0.0278 29 CD -2.5772 36.5461 35.4721 C.3 2 PRO2 0.0071 30 HD1 -2.4429 36.8734 36.5037 H 2 PRO2 0.0431 31 HD2 -1.8462 37.0069 34.8051 H 2 PRO2 0.0431 32 N -6.8790 35.0530 34.4920 N.am 3 ALA3 -0.2459 33 H -6.8500 35.1600 33.4780 H 3 ALA3 0.1312 34 CA -8.0690 34.4830 35.1290 C.3 3 ALA3 0.0850 35 HA -8.4679 35.2496 35.7957 H 3 ALA3 0.0554 36 C -7.7440 33.2610 35.9590 C.2 3 ALA3 0.2184 37 O -8.3520 32.9680 36.9980 O.2 3 ALA3 -0.2778 38 CB -9.0983 34.1390 34.0466 C.3 3 ALA3 -0.0411 39 HB1 -10.0192 33.7511 34.4834 H 3 ALA3 0.0249 40 HB2 -8.7127 33.3912 33.3527 H 3 ALA3 0.0249 41 HB3 -9.3576 35.0249 33.4665 H 3 ALA3 0.0249 42 N -6.7880 32.4800 35.4610 N.am 4 ARG4 -0.2457 43 H -6.3500 32.6970 34.5660 H 4 ARG4 0.1312 44 CA -6.3840 31.3120 36.2220 C.3 4 ARG4 0.0879 45 HA -6.6474 31.4636 37.2687 H 4 ARG4 0.0557 46 C -4.8540 31.2060 36.2370 C.2 4 ARG4 0.2187 47 O -4.0860 31.7000 35.4030 O.2 4 ARG4 -0.2778 48 CB -7.0330 30.0190 35.7041 C.3 4 ARG4 -0.0258 49 HB1 -6.6161 29.1777 36.2610 H 4 ARG4 0.0286 50 HB2 -6.7726 29.8531 34.6583 H 4 ARG4 0.0286 51 CG -8.5578 30.0255 35.8882 C.3 4 ARG4 -0.0154 52 HG1 -8.7886 30.4835 36.8460 H 4 ARG4 0.0299 53 HG2 -9.0258 30.6538 35.1300 H 4 ARG4 0.0299 54 CD -9.1812 28.6279 35.8899 C.3 4 ARG4 0.1045 55 HD1 -8.7376 28.0247 36.6833 H 4 ARG4 0.0711 56 HD2 -10.2594 28.6837 36.0607 H 4 ARG4 0.0711 57 NE -8.9483 27.9704 34.6054 N.pl3 4 ARG4 -0.4450 58 HE -8.5776 28.5107 33.8509 H 4 ARG4 0.3153 59 CZ -9.1871 26.6814 34.3881 C.cat 4 ARG4 0.5062 60 NH1 -8.9573 26.1822 33.2030 N.pl3 4 ARG4 -0.4573 61 HH11 -8.5942 26.7628 32.4773 H 4 ARG4 0.3114 62 HH12 -9.1303 25.2177 33.0198 H 4 ARG4 0.3114 63 NH2 -9.6341 25.9015 35.3387 N.pl3 4 ARG4 -0.4573 64 HH21 -9.8340 24.9416 35.1620 H 4 ARG4 0.3114 65 HH22 -9.7631 26.2659 36.2600 H 4 ARG4 0.3114 66 N -4.2840 30.5580 37.2530 N.am 5 VAL5 -0.2454 67 H -4.8130 30.4650 38.1200 H 5 VAL5 0.1312 68 CA -2.9610 29.9800 37.1970 C.3 5 VAL5 0.0901 69 HA -2.5182 30.1629 36.2146 H 5 VAL5 0.0560 70 C -3.1320 28.4610 37.3120 C.2 5 VAL5 0.2189 71 O -4.1680 28.0780 37.8410 O.2 5 VAL5 -0.2778 72 CB -2.0331 30.5511 38.2882 C.3 5 VAL5 -0.0227 73 HB -1.0893 30.0039 38.2379 H 5 VAL5 0.0315 74 CG1 -1.7026 32.0187 37.9944 C.3 5 VAL5 -0.0608 75 HG11 -1.0094 32.4252 38.7309 H 5 VAL5 0.0233 76 HG12 -2.5999 32.6325 37.9910 H 5 VAL5 0.0233 77 HG13 -1.2476 32.1176 37.0103 H 5 VAL5 0.0233 78 CG2 -2.5895 30.3739 39.7105 C.3 5 VAL5 -0.0608 79 HG21 -1.9024 30.7787 40.4542 H 5 VAL5 0.0233 80 HG22 -2.7383 29.3198 39.9439 H 5 VAL5 0.0233 81 HG23 -3.5467 30.8782 39.8360 H 5 VAL5 0.0233 82 N -2.1240 27.7090 36.8630 N.am 6 ARG6 -0.2456 83 H -1.3550 28.1390 36.3490 H 6 ARG6 0.1312 84 CA -2.1250 26.2790 37.1080 C.3 6 ARG6 0.0879 85 HA -3.0109 26.0011 37.6784 H 6 ARG6 0.0557 86 C -0.9180 25.9570 37.9960 C.2 6 ARG6 0.2187 87 O 0.1490 26.4890 37.7190 O.2 6 ARG6 -0.2778 88 CB -2.1076 25.5114 35.7910 C.3 6 ARG6 -0.0258 89 HB1 -2.9419 25.8352 35.1688 H 6 ARG6 0.0286 90 HB2 -1.2144 25.7701 35.2350 H 6 ARG6 0.0286 91 CG -2.1814 23.9946 35.9879 C.3 6 ARG6 -0.0154 92 HG1 -1.4460 23.6473 36.7129 H 6 ARG6 0.0299 93 HG2 -3.1496 23.7217 36.3911 H 6 ARG6 0.0299 94 CD -1.9601 23.2610 34.6786 C.3 6 ARG6 0.1045 95 HD1 -2.7406 23.4976 33.9525 H 6 ARG6 0.0711 96 HD2 -0.9793 23.5135 34.2729 H 6 ARG6 0.0711 97 NE -1.9817 21.8337 34.9232 N.pl3 6 ARG6 -0.4450 98 HE -2.1899 21.4394 35.8231 H 6 ARG6 0.3153 99 CZ -1.7036 20.9504 33.9901 C.cat 6 ARG6 0.5062 100 NH1 -1.3971 21.3242 32.7768 N.pl3 6 ARG6 -0.4573 101 HH11 -1.4053 22.3096 32.5549 H 6 ARG6 0.3114 102 HH12 -1.1575 20.6688 32.0756 H 6 ARG6 0.3114 103 NH2 -1.7423 19.6925 34.3079 N.pl3 6 ARG6 -0.4573 104 HH21 -1.5071 18.9660 33.6796 H 6 ARG6 0.3114 105 HH22 -2.0313 19.4702 35.2515 H 6 ARG6 0.3114 106 N -1.0910 25.1150 39.0180 N.am 7 CYS7 -0.2449 107 H -2.0090 24.6980 39.1750 H 7 CYS7 0.1312 108 CA -0.0040 24.7870 39.9000 C.3 7 CYS7 0.0965 109 HA 0.9358 25.0140 39.3947 H 7 CYS7 0.0565 110 C -0.0030 23.2810 40.1830 C.2 7 CYS7 0.2195 111 O -1.0650 22.6640 40.1920 O.2 7 CYS7 -0.2778 112 CB -0.0863 25.5553 41.2274 C.3 7 CYS7 0.0147 113 HB1 0.6975 25.2000 41.8975 H 7 CYS7 0.0394 114 HB2 -1.0303 25.3423 41.7273 H 7 CYS7 0.0394 115 SG 0.1051 27.3497 41.0815 S.3 7 CYS7 -0.1762 116 HG 0.0867 27.8821 42.3061 H 7 CYS7 0.1017 117 N 1.2060 22.7840 40.4150 N.am 8 SER8 -0.2436 118 H 2.0210 23.3020 40.0850 H 8 SER8 0.1312 119 CA 1.4130 21.5310 41.1210 C.3 8 SER8 0.1109 120 HA 0.4517 21.0297 41.1776 H 8 SER8 0.0580 121 C 1.9040 21.8510 42.5310 C.2 8 SER8 0.2209 122 O 2.4580 22.9130 42.8010 O.2 8 SER8 -0.2777 123 CB 2.4268 20.6469 40.3778 C.3 8 SER8 0.0681 124 HB1 3.3742 21.1831 40.2613 H 8 SER8 0.0577 125 HB2 2.6146 19.7359 40.9575 H 8 SER8 0.0577 126 OG 1.9071 20.3043 39.1028 O.3 8 SER8 -0.3930 127 HG 2.4842 19.7127 38.6237 H 8 SER8 0.2095 128 N 1.6840 20.9200 43.4550 N.am 9 HIS9 -0.2452 129 H 1.1210 20.0920 43.2590 H 9 HIS9 0.1312 130 CA 2.2970 21.1460 44.7800 C.3 9 HIS9 0.0930 131 HA 3.2399 21.6612 44.6234 H 9 HIS9 0.0561 132 C 2.6380 19.8040 45.4130 C.2 9 HIS9 0.2190 133 O 2.1610 18.7410 44.9830 O.2 9 HIS9 -0.2778 134 CB 1.3865 22.0072 45.6790 C.3 9 HIS9 0.0152 135 HB1 1.0124 22.8708 45.1305 H 9 HIS9 0.0346 136 HB2 1.9531 22.3994 46.5239 H 9 HIS9 0.0346 137 CG 0.2210 21.2098 46.2225 C.ar 9 HIS9 0.0954 138 ND1 -0.0592 21.1054 47.5369 N.ar 9 HIS9 -0.0318 139 CD2 -0.6894 20.4088 45.5170 C.ar 9 HIS9 0.0831 140 HD2 -0.7064 20.2872 44.4448 H 9 HIS9 0.0839 141 CE1 -1.1194 20.2899 47.6276 C.ar 9 HIS9 0.1815 142 HE1 -1.5861 20.0339 48.5667 H 9 HIS9 0.1035 143 NE2 -1.5150 19.8385 46.4247 N.ar 9 HIS9 -0.0346 144 HE2 -2.2582 19.2291 46.2390 H 9 HIS9 0.2290 145 HD1 0.4306 21.5514 48.2993 H 9 HIS9 0.2293 146 N 3.4570 19.9320 46.4130 N.am 10 LEU10 -0.2456 147 H 3.8830 20.8440 46.5750 H 10 LEU10 0.1312 148 CA 3.8010 18.8330 47.3220 C.3 10 LEU10 0.0880 149 HA 3.1955 17.9612 47.0755 H 10 LEU10 0.0557 150 C 3.4350 19.3330 48.7120 C.2 10 LEU10 0.2187 151 O 4.0370 20.3080 49.1600 O.2 10 LEU10 -0.2778 152 CB 5.3025 18.5103 47.1821 C.3 10 LEU10 -0.0266 153 HB1 5.9094 19.3525 47.5183 H 10 LEU10 0.0287 154 HB2 5.5073 18.4142 46.1147 H 10 LEU10 0.0287 155 CG 5.7681 17.2081 47.8732 C.3 10 LEU10 -0.0449 156 HG 5.0536 16.4206 47.6389 H 10 LEU10 0.0296 157 CD1 7.1287 16.7608 47.3185 C.3 10 LEU10 -0.0626 158 HD11 7.4302 15.8028 47.7439 H 10 LEU10 0.0232 159 HD12 7.9088 17.4868 47.5492 H 10 LEU10 0.0232 160 HD13 7.0955 16.6417 46.2353 H 10 LEU10 0.0232 161 CD2 5.8481 17.3249 49.4028 C.3 10 LEU10 -0.0626 162 HD21 4.8669 17.4377 49.8578 H 10 LEU10 0.0232 163 HD22 6.4621 18.1744 49.7031 H 10 LEU10 0.0232 164 HD23 6.2873 16.4270 49.8379 H 10 LEU10 0.0232 165 N 2.5370 18.6480 49.3860 N.am 11 LEU11 -0.2456 166 H 2.1340 17.8230 48.9410 H 11 LEU11 0.1312 167 CA 2.0820 18.9900 50.7220 C.3 11 LEU11 0.0880 168 HA 2.4489 19.9865 50.9761 H 11 LEU11 0.0557 169 C 2.6010 18.0050 51.7630 C.2 11 LEU11 0.2187 170 O 2.4680 16.7990 51.5430 O.2 11 LEU11 -0.2778 171 CB 0.5399 19.0034 50.7169 C.3 11 LEU11 -0.0266 172 HB1 0.1886 18.1273 50.1691 H 11 LEU11 0.0287 173 HB2 0.2074 19.8682 50.1438 H 11 LEU11 0.0287 174 CG -0.1460 19.0131 52.1022 C.3 11 LEU11 -0.0449 175 HG 0.1436 18.1076 52.6336 H 11 LEU11 0.0296 176 CD1 0.2579 20.2087 52.9747 C.3 11 LEU11 -0.0626 177 HD11 -0.1759 20.1086 53.9667 H 11 LEU11 0.0232 178 HD12 -0.0954 21.1472 52.5583 H 11 LEU11 0.0232 179 HD13 1.3340 20.2941 53.1016 H 11 LEU11 0.0232 180 CD2 -1.6690 18.9695 51.9480 C.3 11 LEU11 -0.0626 181 HD21 -2.1622 18.9755 52.9198 H 11 LEU11 0.0232 182 HD22 -1.9835 18.0726 51.4149 H 11 LEU11 0.0232 183 HD23 -2.0262 19.8364 51.3925 H 11 LEU11 0.0232 184 N 3.1760 18.5310 52.8370 N.am 12 VAL12 -0.2454 185 H 3.3930 19.5270 52.8680 H 12 VAL12 0.1312 186 CA 3.4940 17.6750 53.9700 C.3 12 VAL12 0.0901 187 HA 3.2405 16.6426 53.7423 H 12 VAL12 0.0560 188 C 2.6060 18.1600 55.1090 C.2 12 VAL12 0.2189 189 O 2.7510 19.2970 55.5630 O.2 12 VAL12 -0.2778 190 CB 5.0023 17.7595 54.2769 C.3 12 VAL12 -0.0227 191 HB 5.2557 18.8028 54.4745 H 12 VAL12 0.0315 192 CG1 5.3889 16.9300 55.5079 C.3 12 VAL12 -0.0608 193 HG11 4.8377 17.2345 56.3966 H 12 VAL12 0.0233 194 HG12 6.4509 17.0446 55.7169 H 12 VAL12 0.0233 195 HG13 5.2038 15.8697 55.3393 H 12 VAL12 0.0233 196 CG2 5.8359 17.2814 53.0755 C.3 12 VAL12 -0.0608 197 HG21 6.9038 17.3623 53.2810 H 12 VAL12 0.0233 198 HG22 5.6326 17.8618 52.1775 H 12 VAL12 0.0233 199 HG23 5.6212 16.2387 52.8403 H 12 VAL12 0.0233 200 N 1.6730 17.3020 55.5260 N.am 13 LYS13 -0.2456 201 H 1.5780 16.3900 55.0810 H 13 LYS13 0.1312 202 CA 0.7770 17.6860 56.6410 C.3 13 LYS13 0.0878 203 HA 0.5443 18.7406 56.5118 H 13 LYS13 0.0557 204 C 1.4690 17.5180 57.9670 C.2 13 LYS13 0.2187 205 O 2.4870 16.8540 58.0830 O.2 13 LYS13 -0.2778 206 CB -0.5148 16.8672 56.5806 C.3 13 LYS13 -0.0289 207 HB1 -0.2463 15.8180 56.6247 H 13 LYS13 0.0285 208 HB2 -1.1413 17.0712 57.4511 H 13 LYS13 0.0285 209 CG -1.3239 17.1334 55.3069 C.3 13 LYS13 -0.0496 210 HG1 -1.6356 18.1735 55.2783 H 13 LYS13 0.0266 211 HG2 -0.6903 16.9922 54.4359 H 13 LYS13 0.0266 212 CD -2.5548 16.2328 55.1887 C.3 13 LYS13 -0.0278 213 HD1 -2.2480 15.1924 55.2714 H 13 LYS13 0.0282 214 HD2 -3.2354 16.4263 56.0174 H 13 LYS13 0.0282 215 CE -3.2717 16.4216 53.8527 C.3 13 LYS13 0.1103 216 HE1 -2.5675 16.2995 53.0301 H 13 LYS13 0.0559 217 HE2 -3.6919 17.4246 53.7704 H 13 LYS13 0.0559 218 NZ -4.3506 15.4633 53.6669 N.4 13 LYS13 -0.0749 219 HZ1 -4.6299 15.4241 52.6618 H 13 LYS13 0.2742 220 HZ2 -5.2092 15.7965 54.1560 H 13 LYS13 0.2742 221 HZ3 -4.0922 14.5216 54.0126 H 13 LYS13 0.2742 222 N 0.9140 18.1310 59.0350 N.am 14 HIS14 -0.2453 223 H 0.1940 18.8390 58.8940 H 14 HIS14 0.1312 224 CA 1.3330 17.7910 60.3790 C.3 14 HIS14 0.0932 225 HA 1.8506 16.8305 60.3741 H 14 HIS14 0.0561 226 C 0.0930 17.5910 61.2430 C.2 14 HIS14 0.2191 227 O -1.0390 17.7170 60.7770 O.2 14 HIS14 -0.2778 228 CB 2.2768 18.8799 60.9260 C.3 14 HIS14 0.0146 229 HB1 3.2316 18.8381 60.4021 H 14 HIS14 0.0348 230 HB2 2.5008 18.7324 61.9824 H 14 HIS14 0.0348 231 CG 1.6785 20.2546 60.7283 C.ar 14 HIS14 0.0551 232 ND1 0.5714 20.6947 61.3612 N.ar 14 HIS14 -0.2469 233 CD2 2.1195 21.2639 59.8566 C.ar 14 HIS14 0.0047 234 HD2 2.9816 21.2113 59.2083 H 14 HIS14 0.0764 235 CE1 0.3411 21.9310 60.8873 C.ar 14 HIS14 0.0737 236 HE1 -0.4916 22.5473 61.1989 H 14 HIS14 0.0963 237 NE2 1.2631 22.3033 59.9803 N.ar 14 HIS14 -0.2539 238 HE2 1.2985 23.1633 59.5112 H 14 HIS14 0.1339 239 N 0.3300 17.2850 62.5160 N.am 15 SER15 -0.2436 240 H 1.2710 17.3600 62.9030 H 15 SER15 0.1312 241 CA -0.7960 16.8350 63.3570 C.3 15 SER15 0.1109 242 HA -1.2939 16.0161 62.8357 H 15 SER15 0.0580 243 C -1.8300 17.9260 63.6320 C.2 15 SER15 0.2209 244 O -2.9720 17.6570 64.0060 O.2 15 SER15 -0.2777 245 CB -0.2039 16.3299 64.6792 C.3 15 SER15 0.0681 246 HB1 0.4564 15.4814 64.4647 H 15 SER15 0.0577 247 HB2 -1.0027 15.9774 65.3404 H 15 SER15 0.0577 248 OG 0.5309 17.3752 65.3065 O.3 15 SER15 -0.3930 249 HG 0.9642 17.0689 66.1001 H 15 SER15 0.2095 250 N -1.4740 19.1830 63.4330 N.am 16 GLN16 -0.2456 251 H -0.5300 19.3900 63.1070 H 16 GLN16 0.1312 252 CA -2.4000 20.2730 63.6700 C.3 16 GLN16 0.0882 253 HA -3.2406 19.9390 64.2804 H 16 GLN16 0.0557 254 C -2.9550 20.8000 62.3640 C.2 16 GLN16 0.2187 255 O -3.6700 21.8190 62.3910 O.2 16 GLN16 -0.2778 256 CB -1.6306 21.3851 64.4068 C.3 16 GLN16 -0.0210 257 HB1 -2.2909 22.2334 64.5934 H 16 GLN16 0.0289 258 HB2 -0.8373 21.7630 63.7602 H 16 GLN16 0.0289 259 CG -0.9921 20.9249 65.7317 C.3 16 GLN16 0.0225 260 HG1 -0.2671 20.1283 65.5628 H 16 GLN16 0.0356 261 HG2 -0.4464 21.7487 66.1911 H 16 GLN16 0.0356 262 CD -2.0370 20.4202 66.7367 C.2 16 GLN16 0.1981 263 OE1 -2.0448 19.2643 67.1346 O.2 16 GLN16 -0.2798 264 NE2 -2.9161 21.3564 67.1231 N.am 16 GLN16 -0.2724 265 HE21 -2.8690 22.2885 66.7672 H 16 GLN16 0.1266 266 HE22 -3.6285 21.1073 67.7775 H 16 GLN16 0.1266 267 N -2.6610 20.1210 61.2700 N.am 17 SER17 -0.2436 268 H -2.0040 19.3420 61.3080 H 17 SER17 0.1312 269 CA -3.2880 20.4980 60.0030 C.3 17 SER17 0.1109 270 HA -3.0928 21.5604 59.8421 H 17 SER17 0.0580 271 C -4.7890 20.2810 59.9860 C.2 17 SER17 0.2209 272 O -5.2780 19.5130 60.8230 O.2 17 SER17 -0.2777 273 CB -2.7064 19.6819 58.8396 C.3 17 SER17 0.0681 274 HB1 -2.7148 18.6189 59.0932 H 17 SER17 0.0577 275 HB2 -3.3502 19.8013 57.9545 H 17 SER17 0.0577 276 OG -1.3670 20.0761 58.5724 O.3 17 SER17 -0.3930 277 HG -1.1723 20.0083 57.6445 H 17 SER17 0.2095 278 N -5.5310 20.9200 59.0930 N.am 18 ARG18 -0.2456 279 H -5.0680 21.4720 58.3710 H 18 ARG18 0.1312 280 CA -6.9930 20.8600 59.1090 C.3 18 ARG18 0.0879 281 HA -7.2662 21.2665 60.0828 H 18 ARG18 0.0557 282 C -7.5550 19.4570 59.0290 C.2 18 ARG18 0.2187 283 O -8.5350 19.1270 59.6850 O.2 18 ARG18 -0.2778 284 CB -7.5043 21.7836 57.9917 C.3 18 ARG18 -0.0258 285 HB1 -7.2776 21.3505 57.0169 H 18 ARG18 0.0286 286 HB2 -6.9402 22.7177 58.0277 H 18 ARG18 0.0286 287 CG -9.0024 22.1144 58.0773 C.3 18 ARG18 -0.0154 288 HG1 -9.2404 22.8434 57.3018 H 18 ARG18 0.0299 289 HG2 -9.5891 21.2245 57.8487 H 18 ARG18 0.0299 290 CD -9.4406 22.6723 59.4393 C.3 18 ARG18 0.1045 291 HD1 -9.3885 21.8985 60.2080 H 18 ARG18 0.0711 292 HD2 -10.4664 23.0431 59.3889 H 18 ARG18 0.0711 293 NE -8.5837 23.7827 59.8413 N.pl3 18 ARG18 -0.4450 294 HE -7.8725 24.2007 59.2528 H 18 ARG18 0.3153 295 CZ -8.6097 24.3961 61.0125 C.cat 18 ARG18 0.5062 296 NH1 -9.4227 24.0175 61.9599 N.pl3 18 ARG18 -0.4573 297 HH11 -9.4141 24.4972 62.8302 H 18 ARG18 0.3114 298 HH12 -10.0308 23.2515 61.7874 H 18 ARG18 0.3114 299 NH2 -7.8078 25.3936 61.2163 N.pl3 18 ARG18 -0.4573 300 HH21 -7.7590 25.9243 62.0495 H 18 ARG18 0.3114 301 HH22 -7.1949 25.6055 60.4370 H 18 ARG18 0.3114 302 N -6.9640 18.5980 58.2330 N.am 19 ARG19 -0.2456 303 H -6.1610 18.9320 57.6990 H 19 ARG19 0.1312 304 CA -7.3580 17.2060 58.0470 C.3 19 ARG19 0.0881 305 HA -8.0951 16.9334 58.8022 H 19 ARG19 0.0557 306 C -6.0980 16.3620 58.2160 C.2 19 ARG19 0.2213 307 O -5.3990 16.1230 57.2190 O.2 19 ARG19 -0.2776 308 CB -7.9787 17.0579 56.6457 C.3 19 ARG19 -0.0258 309 HB1 -7.3067 17.4660 55.8886 H 19 ARG19 0.0286 310 HB2 -8.8785 17.6732 56.6090 H 19 ARG19 0.0286 311 CG -8.3378 15.6089 56.2815 C.3 19 ARG19 -0.0154 312 HG1 -7.4255 15.0428 56.0898 H 19 ARG19 0.0299 313 HG2 -8.8238 15.1287 57.1316 H 19 ARG19 0.0299 314 CD -9.2614 15.5108 55.0617 C.3 19 ARG19 0.1045 315 HD1 -10.2399 15.9402 55.2880 H 19 ARG19 0.0711 316 HD2 -8.8778 16.0546 54.1971 H 19 ARG19 0.0711 317 NE -9.4758 14.0975 54.7388 N.pl3 19 ARG19 -0.4450 318 HE -10.1415 13.5875 55.2797 H 19 ARG19 0.3153 319 CZ -8.8411 13.4276 53.7792 C.cat 19 ARG19 0.5062 320 NH1 -7.9877 14.0015 52.9760 N.pl3 19 ARG19 -0.4573 321 HH11 -7.7659 14.9773 53.0838 H 19 ARG19 0.3114 322 HH12 -7.5303 13.5157 52.2405 H 19 ARG19 0.3114 323 NH2 -9.0824 12.1518 53.6403 N.pl3 19 ARG19 -0.4573 324 HH21 -8.6250 11.6315 52.9260 H 19 ARG19 0.3114 325 HH22 -9.7233 11.6969 54.2539 H 19 ARG19 0.3114 326 N -5.7650 15.9490 59.4320 N.am 20 PRO20 -0.2316 327 CA -4.4930 15.2400 59.6520 C.3 20 PRO20 0.0907 328 HA -3.7049 15.7118 59.0620 H 20 PRO20 0.0559 329 C -4.5450 13.7530 59.3290 C.2 20 PRO20 0.2190 330 O -4.3340 12.8250 60.1380 O.2 20 PRO20 -0.2778 331 CB -4.2617 15.4887 61.1481 C.3 20 PRO20 -0.0276 332 HB1 -3.6275 14.7466 61.6358 H 20 PRO20 0.0285 333 HB2 -3.7722 16.4561 61.2759 H 20 PRO20 0.0285 334 CG -5.6661 15.5669 61.7476 C.3 20 PRO20 -0.0379 335 HG1 -6.0205 14.5595 61.9682 H 20 PRO20 0.0278 336 HG2 -5.6908 16.1391 62.6757 H 20 PRO20 0.0278 337 CD -6.5354 16.1893 60.6499 C.3 20 PRO20 0.0071 338 HD1 -7.5144 15.7158 60.5687 H 20 PRO20 0.0431 339 HD2 -6.6358 17.2685 60.7780 H 20 PRO20 0.0431 340 N -4.8160 13.5120 58.0550 N.am 21 SER21 -0.2436 341 H -4.9050 14.3280 57.4500 H 21 SER21 0.1312 342 CA -5.0010 12.2190 57.4210 C.3 21 SER21 0.1109 343 HA -4.3316 11.5018 57.9012 H 21 SER21 0.0580 344 C -4.6420 12.3050 55.9300 C.2 21 SER21 0.2210 345 O -4.8530 13.4020 55.3710 O.2 21 SER21 -0.2777 346 CB -6.4743 11.8023 57.5848 C.3 21 SER21 0.0681 347 HB1 -6.6856 11.5364 58.6271 H 21 SER21 0.0577 348 HB2 -7.1137 12.6584 57.3635 H 21 SER21 0.0577 349 OG -6.8808 10.7563 56.7155 O.3 21 SER21 -0.3930 350 HG -6.3489 9.9810 56.8820 H 21 SER21 0.2095 351 N -4.1580 11.2360 55.3120 N.am 22 SER22 -0.2435 352 H -3.9400 10.3880 55.8360 H 22 SER22 0.1312 353 CA -3.9420 11.2930 53.8650 C.3 22 SER22 0.1109 354 HA -4.7748 11.8277 53.4069 H 22 SER22 0.0580 355 C -3.9550 9.8570 53.3270 C.2 22 SER22 0.2209 356 O -4.0480 8.8910 54.1070 O.2 22 SER22 -0.2777 357 CB -2.5909 11.9713 53.5511 C.3 22 SER22 0.0681 358 HB1 -2.6136 12.9971 53.9321 H 22 SER22 0.0577 359 HB2 -2.4380 12.0305 52.4689 H 22 SER22 0.0577 360 OG -1.5144 11.2488 54.1340 O.3 22 SER22 -0.3930 361 HG -0.6897 11.7360 54.0791 H 22 SER22 0.2095 362 N -3.7910 9.7550 52.0210 N.am 23 TRP23 -0.2453 363 H -3.7840 10.5840 51.4270 H 23 TRP23 0.1312 364 CA -3.6190 8.4200 51.4490 C.3 23 TRP23 0.0918 365 HA -4.4853 7.8303 51.7555 H 23 TRP23 0.0560 366 C -2.3780 7.6950 51.9790 C.2 23 TRP23 0.2190 367 O -2.3080 6.4470 51.9100 O.2 23 TRP23 -0.2778 368 CB -3.6051 8.5127 49.9120 C.3 23 TRP23 -0.0021 369 HB1 -3.5464 7.5161 49.4713 H 23 TRP23 0.0334 370 HB2 -4.5395 8.9494 49.5606 H 23 TRP23 0.0334 371 CG -2.4535 9.3616 49.4058 C.ar 23 TRP23 -0.0260 372 CD1 -2.4511 10.7528 49.2563 C.ar 23 TRP23 -0.0136 373 HD1 -3.2698 11.4149 49.4954 H 23 TRP23 0.0748 374 CD2 -1.1604 8.9011 48.9604 C.ar 23 TRP23 -0.0028 375 NE1 -1.2501 11.1476 48.7723 N.ar 23 TRP23 -0.2641 376 HE1 -0.9851 12.0749 48.5864 H 23 TRP23 0.1331 377 CE2 -0.4268 10.0466 48.5726 C.ar 23 TRP23 0.0269 378 CE3 -0.5878 7.6600 48.8736 C.ar 23 TRP23 -0.0528 379 HE3 -1.1456 6.7860 49.1775 H 23 TRP23 0.0624 380 CZ2 0.8565 9.9142 48.1133 C.ar 23 TRP23 -0.0430 381 HZ2 1.4205 10.7884 47.8235 H 23 TRP23 0.0633 382 CZ3 0.7161 7.5220 48.3964 C.ar 23 TRP23 -0.0611 383 HZ3 1.1645 6.5421 48.3214 H 23 TRP23 0.0618 384 CH2 1.4395 8.6517 48.0138 C.ar 23 TRP23 -0.0602 385 HH2 2.4473 8.5509 47.6369 H 23 TRP23 0.0618 386 N -1.4040 8.4080 52.5290 N.am 24 ARG24 -0.2456 387 H -1.4810 9.4240 52.5640 H 24 ARG24 0.1312 388 CA -0.2130 7.7470 53.0890 C.3 24 ARG24 0.0879 389 HA 0.0629 6.9273 52.4222 H 24 ARG24 0.0557 390 C -0.4450 7.1810 54.4620 C.2 24 ARG24 0.2187 391 O 0.1570 6.1620 54.8150 O.2 24 ARG24 -0.2778 392 CB 0.9167 8.7985 53.1078 C.3 24 ARG24 -0.0258 393 HB1 1.8443 8.3446 53.4584 H 24 ARG24 0.0286 394 HB2 0.6690 9.5746 53.8319 H 24 ARG24 0.0286 395 CG 1.1486 9.4507 51.7275 C.3 24 ARG24 -0.0154 396 HG1 0.1995 9.7514 51.2906 H 24 ARG24 0.0299 397 HG2 1.5828 8.7244 51.0407 H 24 ARG24 0.0299 398 CD 1.9981 10.7219 51.7643 C.3 24 ARG24 0.1045 399 HD1 1.5682 11.4350 52.4645 H 24 ARG24 0.0711 400 HD2 2.0157 11.1970 50.7809 H 24 ARG24 0.0711 401 NE 3.3859 10.4136 52.1046 N.pl3 24 ARG24 -0.4450 402 HE 3.7515 9.5411 51.7870 H 24 ARG24 0.3153 403 CZ 4.1832 11.2437 52.7719 C.cat 24 ARG24 0.5062 404 NH1 3.7511 12.3561 53.2969 N.pl3 24 ARG24 -0.4573 405 HH11 2.7731 12.5996 53.2935 H 24 ARG24 0.3114 406 HH12 4.3652 13.0171 53.7106 H 24 ARG24 0.3114 407 NH2 5.4460 10.9396 52.9007 N.pl3 24 ARG24 -0.4573 408 HH21 6.0594 11.5684 53.3711 H 24 ARG24 0.3114 409 HH22 5.7893 10.0847 52.5230 H 24 ARG24 0.3114 410 N -1.2490 7.8120 55.3070 N.am 25 GLN25 -0.2456 411 H -1.8000 8.5940 54.9530 H 25 GLN25 0.1312 412 CA -1.3910 7.4510 56.7140 C.3 25 GLN25 0.0882 413 HA -1.2465 6.3745 56.8252 H 25 GLN25 0.0557 414 C -2.7560 7.8440 57.2570 C.2 25 GLN25 0.2187 415 O -3.1640 8.9690 56.9850 O.2 25 GLN25 -0.2778 416 CB -0.3807 8.2708 57.5541 C.3 25 GLN25 -0.0210 417 HB1 -0.5298 8.0435 58.6120 H 25 GLN25 0.0289 418 HB2 -0.6089 9.3333 57.4415 H 25 GLN25 0.0289 419 CG 1.1037 8.0623 57.2118 C.3 25 GLN25 0.0225 420 HG1 1.3003 8.2707 56.1617 H 25 GLN25 0.0356 421 HG2 1.4079 7.0335 57.4042 H 25 GLN25 0.0356 422 CD 1.9846 9.0185 58.0355 C.2 25 GLN25 0.1981 423 OE1 2.6041 9.9368 57.5121 O.2 25 GLN25 -0.2798 424 NE2 2.0022 8.7500 59.3497 N.am 25 GLN25 -0.2724 425 HE21 2.5624 9.2955 59.9726 H 25 GLN25 0.1266 426 HE22 1.4584 8.0044 59.7343 H 25 GLN25 0.1266 427 N -3.3740 6.9710 58.0170 N.am 26 GLU26 -0.2456 428 H -2.9390 6.0720 58.2270 H 26 GLU26 0.1312 429 CA -4.6790 7.2940 58.5550 C.3 26 GLU26 0.0883 430 HA -5.2952 7.6189 57.7148 H 26 GLU26 0.0557 431 C -4.6140 8.4260 59.5530 C.2 26 GLU26 0.2187 432 O -5.5990 9.1340 59.6660 O.2 26 GLU26 -0.2778 433 CB -5.2899 6.0571 59.1750 C.3 26 GLU26 -0.0193 434 CG -5.5145 4.9925 58.1280 C.3 26 GLU26 0.0356 435 CD -4.2131 4.2301 57.8900 C.2 26 GLU26 0.1760 436 OE1 -3.2168 4.5595 58.5875 O.co2 26 GLU26 -0.6478 437 OE2 -4.2276 3.3255 57.0130 O.co2 26 GLU26 -0.6478 438 HB2 -4.6167 5.6704 59.9401 H 26 GLU26 0.0290 439 HB3 -6.2438 6.3180 59.6334 H 26 GLU26 0.0290 440 HG2 -6.2830 4.3005 58.4726 H 26 GLU26 0.0374 441 HG3 -5.8372 5.4600 57.1977 H 26 GLU26 0.0374 442 N -3.4870 8.5140 60.2520 N.am 27 GLN27 -0.2456 443 H -2.7440 7.8360 60.0820 H 27 GLN27 0.1312 444 CA -3.2860 9.5460 61.2480 C.3 27 GLN27 0.0882 445 HA -4.0433 10.3239 61.1239 H 27 GLN27 0.0557 446 C -1.9270 10.1340 60.9580 C.2 27 GLN27 0.2187 447 O -0.9280 9.4000 61.0010 O.2 27 GLN27 -0.2778 448 CB -3.3171 8.9866 62.6833 C.3 27 GLN27 -0.0210 449 HB1 -2.4765 8.3123 62.8586 H 27 GLN27 0.0289 450 HB2 -3.1607 9.8221 63.3672 H 27 GLN27 0.0289 451 CG -4.6416 8.3046 63.0705 C.3 27 GLN27 0.0225 452 HG1 -5.4917 8.8363 62.6424 H 27 GLN27 0.0356 453 HG2 -4.7619 8.3289 64.1533 H 27 GLN27 0.0356 454 CD -4.6954 6.8293 62.6463 C.2 27 GLN27 0.1981 455 OE1 -3.7105 6.2340 62.2325 O.2 27 GLN27 -0.2798 456 NE2 -5.9099 6.2780 62.7796 N.am 27 GLN27 -0.2724 457 HE21 -6.0351 5.3190 62.5286 H 27 GLN27 0.1266 458 HE22 -6.6885 6.8023 63.1209 H 27 GLN27 0.1266 459 N -1.9020 11.4280 60.7040 N.am 28 ILE28 -0.2454 460 H -2.7700 11.9560 60.6110 H 28 ILE28 0.1312 461 CA -0.5910 12.0980 60.5570 C.3 28 ILE28 0.0903 462 HA 0.1459 11.3650 60.2190 H 28 ILE28 0.0560 463 C -0.1690 12.5950 61.9160 C.2 28 ILE28 0.2190 464 O -0.8880 13.3970 62.5070 O.2 28 ILE28 -0.2778 465 CB -0.7226 13.1735 59.4672 C.3 28 ILE28 -0.0201 466 HB -1.5370 13.8474 59.7393 H 28 ILE28 0.0318 467 CG1 -1.0923 12.4709 58.1405 C.3 28 ILE28 -0.0514 468 HG11 -0.3286 11.7384 57.8755 H 28 ILE28 0.0266 469 HG12 -2.0161 11.9058 58.2633 H 28 ILE28 0.0266 470 CG2 0.5613 14.0093 59.3453 C.3 28 ILE28 -0.0605 471 HG21 0.7498 14.5776 60.2569 H 28 ILE28 0.0233 472 HG22 0.5037 14.7280 58.5296 H 28 ILE28 0.0233 473 HG23 1.4215 13.3653 59.1748 H 28 ILE28 0.0233 474 CD1 -1.3042 13.4170 56.9673 C.3 28 ILE28 -0.0650 475 HD11 -1.8351 12.9145 56.1621 H 28 ILE28 0.0230 476 HD12 -0.3472 13.7452 56.5659 H 28 ILE28 0.0230 477 HD13 -1.8934 14.2822 57.2708 H 28 ILE28 0.0230 478 N 0.9450 12.0800 62.3920 N.am 29 THR29 -0.2434 479 H 1.5210 11.4830 61.7980 H 29 THR29 0.1313 480 CA 1.3630 12.3580 63.7660 C.3 29 THR29 0.1135 481 HA 0.5548 12.8368 64.3212 H 29 THR29 0.0583 482 C 2.5630 13.2950 63.8130 C.2 29 THR29 0.2212 483 O 2.9040 13.7650 64.9100 O.2 29 THR29 -0.2777 484 CB 1.7259 11.0171 64.4294 C.3 29 THR29 0.0763 485 HB 2.1863 11.2280 65.4040 H 29 THR29 0.0611 486 OG1 2.6421 10.3320 63.5859 O.3 29 THR29 -0.3900 487 HG1 2.9954 9.5623 64.0223 H 29 THR29 0.2098 488 CG2 0.4789 10.1445 64.6447 C.3 29 THR29 -0.0370 489 HG21 0.7195 9.2283 65.1840 H 29 THR29 0.0255 490 HG22 0.0241 9.8607 63.6950 H 29 THR29 0.0255 491 HG23 -0.2727 10.6777 65.2266 H 29 THR29 0.0255 492 N 3.2240 13.6140 62.7150 N.am 30 ARG30 -0.2456 493 H 2.9160 13.2520 61.8120 H 30 ARG30 0.1312 494 CA 4.4040 14.4910 62.7920 C.3 30 ARG30 0.0879 495 HA 5.0738 14.0493 63.5313 H 30 ARG30 0.0557 496 C 4.1000 15.9110 63.2000 C.2 30 ARG30 0.2187 497 O 2.9650 16.3780 63.0130 O.2 30 ARG30 -0.2778 498 CB 5.0635 14.4433 61.4015 C.3 30 ARG30 -0.0258 499 HB1 5.3103 13.4043 61.1809 H 30 ARG30 0.0286 500 HB2 6.0140 14.9699 61.4268 H 30 ARG30 0.0286 501 CG 4.2174 15.0317 60.2561 C.3 30 ARG30 -0.0154 502 HG1 3.1807 14.7050 60.3234 H 30 ARG30 0.0299 503 HG2 4.1948 16.1164 60.3727 H 30 ARG30 0.0299 504 CD 4.7820 14.6846 58.8682 C.3 30 ARG30 0.1045 505 HD1 4.7640 15.5611 58.2192 H 30 ARG30 0.0711 506 HD2 5.8313 14.3856 58.9435 H 30 ARG30 0.0711 507 NE 4.0443 13.5603 58.2564 N.pl3 30 ARG30 -0.4450 508 HE 4.1304 12.6658 58.6938 H 30 ARG30 0.3153 509 CZ 3.2746 13.6469 57.1648 C.cat 30 ARG30 0.5062 510 NH1 3.0840 14.7729 56.5597 N.pl3 30 ARG30 -0.4573 511 HH11 3.4090 15.6269 56.9568 H 30 ARG30 0.3114 512 HH12 2.5938 14.7667 55.6843 H 30 ARG30 0.3114 513 NH2 2.6756 12.6064 56.6556 N.pl3 30 ARG30 -0.4573 514 HH21 2.1063 12.7375 55.8314 H 30 ARG30 0.3114 515 HH22 2.7629 11.7001 57.0640 H 30 ARG30 0.3114 516 N 5.0970 16.5990 63.7220 N.am 31 THR31 -0.2434 517 H 5.9850 16.1320 63.9030 H 31 THR31 0.1313 518 CA 4.9560 18.0120 64.0460 C.3 31 THR31 0.1135 519 HA 3.9309 18.1910 64.3739 H 31 THR31 0.0583 520 C 5.2670 18.9350 62.8810 C.2 31 THR31 0.2212 521 O 5.7960 18.4990 61.8470 O.2 31 THR31 -0.2777 522 CB 5.9277 18.3535 65.1959 C.3 31 THR31 0.0763 523 HB 5.7634 19.3991 65.4896 H 31 THR31 0.0611 524 OG1 7.2588 18.2070 64.7261 O.3 31 THR31 -0.3900 525 HG1 7.8742 18.4264 65.4190 H 31 THR31 0.2098 526 CG2 5.6923 17.4575 66.4234 C.3 31 THR31 -0.0370 527 HG21 6.2773 17.7917 67.2804 H 31 THR31 0.0255 528 HG22 5.9693 16.4223 66.2186 H 31 THR31 0.0255 529 HG23 4.6438 17.4716 66.7198 H 31 THR31 0.0255 530 N 4.9470 20.2300 63.0420 N.am 32 GLN32 -0.2456 531 H 4.4790 20.5400 63.8940 H 32 GLN32 0.1312 532 CA 5.2740 21.2010 61.9840 C.3 32 GLN32 0.0882 533 HA 4.7841 20.8250 61.0861 H 32 GLN32 0.0557 534 C 6.7600 21.2180 61.6970 C.2 32 GLN32 0.2187 535 O 7.2200 21.2830 60.5510 O.2 32 GLN32 -0.2778 536 CB 4.6921 22.5796 62.3298 C.3 32 GLN32 -0.0210 537 HB1 5.2057 23.0143 63.1900 H 32 GLN32 0.0289 538 HB2 3.6559 22.4316 62.6379 H 32 GLN32 0.0289 539 CG 4.7367 23.5387 61.1277 C.3 32 GLN32 0.0225 540 HG1 4.5308 22.9837 60.2141 H 32 GLN32 0.0356 541 HG2 5.7284 23.9787 61.0233 H 32 GLN32 0.0356 542 CD 3.6930 24.6622 61.2302 C.2 32 GLN32 0.1981 543 OE1 3.4170 25.2035 62.2900 O.2 32 GLN32 -0.2798 544 NE2 3.1211 24.9755 60.0562 N.am 32 GLN32 -0.2724 545 HE21 2.4208 25.6881 60.0460 H 32 GLN32 0.1266 546 HE22 3.3779 24.5159 59.2080 H 32 GLN32 0.1266 547 N 7.5990 21.1720 62.7500 N.am 33 GLU33 -0.2456 548 H 7.2140 21.1800 63.6950 H 33 GLU33 0.1312 549 CA 9.0380 21.1110 62.5710 C.3 33 GLU33 0.0883 550 HA 9.3226 22.0277 62.0535 H 33 GLU33 0.0557 551 C 9.4490 19.9430 61.7000 C.2 33 GLU33 0.2187 552 O 10.2940 20.0440 60.7980 O.2 33 GLU33 -0.2778 553 CB 9.7239 21.0660 63.9498 C.3 33 GLU33 -0.0193 554 HB1 10.7975 20.9423 63.8068 H 33 GLU33 0.0290 555 HB2 9.3950 20.1870 64.4998 H 33 GLU33 0.0290 556 CG 9.5025 22.3242 64.8168 C.3 33 GLU33 0.0356 557 HG1 9.8509 23.2101 64.2873 H 33 GLU33 0.0374 558 HG2 10.0874 22.2524 65.7321 H 33 GLU33 0.0374 559 CD 8.0355 22.5355 65.2269 C.2 33 GLU33 0.1760 560 OE1 7.4771 21.6685 65.8954 O.co2 33 GLU33 -0.6478 561 OE2 7.4622 23.5588 64.8615 O.co2 33 GLU33 -0.6478 562 N 8.8570 18.7760 61.9850 N.am 34 GLU34 -0.2456 563 H 8.1650 18.7180 62.7320 H 34 GLU34 0.1312 564 CA 9.2130 17.5880 61.2150 C.3 34 GLU34 0.0883 565 HA 10.2934 17.4372 61.2456 H 34 GLU34 0.0557 566 C 8.7340 17.7450 59.7800 C.2 34 GLU34 0.2187 567 O 9.4500 17.3120 58.8700 O.2 34 GLU34 -0.2778 568 CB 8.4207 16.3597 61.7113 C.3 34 GLU34 -0.0193 569 HB1 7.3761 16.6426 61.8365 H 34 GLU34 0.0290 570 HB2 8.4333 15.5897 60.9351 H 34 GLU34 0.0290 571 CG 8.8878 15.6766 62.9990 C.3 34 GLU34 0.0356 572 HG1 8.8272 16.3533 63.8500 H 34 GLU34 0.0374 573 HG2 9.9179 15.3346 62.9135 H 34 GLU34 0.0374 574 CD 7.9802 14.4512 63.2411 C.2 34 GLU34 0.1760 575 OE1 7.8983 13.5837 62.3677 O.co2 34 GLU34 -0.6478 576 OE2 7.3515 14.3776 64.2904 O.co2 34 GLU34 -0.6478 577 N 7.5410 18.3320 59.6010 N.am 35 ALA35 -0.2459 578 H 6.9790 18.6290 60.3990 H 35 ALA35 0.1312 579 CA 7.0680 18.5350 58.2330 C.3 35 ALA35 0.0850 580 HA 7.0720 17.5632 57.7450 H 35 ALA35 0.0554 581 C 8.0140 19.4630 57.4890 C.2 35 ALA35 0.2184 582 O 8.2720 19.2740 56.3120 O.2 35 ALA35 -0.2778 583 CB 5.6500 19.1191 58.2849 C.3 35 ALA35 -0.0411 584 HB1 4.9637 18.4190 58.7614 H 35 ALA35 0.0249 585 HB2 5.2670 19.3371 57.2874 H 35 ALA35 0.0249 586 HB3 5.6241 20.0444 58.8610 H 35 ALA35 0.0249 587 N 8.5670 20.4830 58.1660 N.am 36 LEU36 -0.2457 588 H 8.3390 20.6210 59.1510 H 36 LEU36 0.1312 589 CA 9.5090 21.4110 57.4870 C.3 36 LEU36 0.0880 590 HA 9.0117 21.7271 56.5702 H 36 LEU36 0.0557 591 C 10.7940 20.6820 57.1030 C.2 36 LEU36 0.2187 592 O 11.3180 20.9300 55.9940 O.2 36 LEU36 -0.2778 593 CB 9.7587 22.6240 58.3929 C.3 36 LEU36 -0.0266 594 HB1 10.2280 22.2934 59.3210 H 36 LEU36 0.0287 595 HB2 8.7961 23.0441 58.6852 H 36 LEU36 0.0287 596 CG 10.6147 23.7297 57.7476 C.3 36 LEU36 -0.0449 597 HG 11.6152 23.3290 57.5901 H 36 LEU36 0.0296 598 CD1 10.0720 24.1804 56.3813 C.3 36 LEU36 -0.0626 599 HD11 10.6363 25.0312 55.9995 H 36 LEU36 0.0232 600 HD12 9.0249 24.4738 56.4464 H 36 LEU36 0.0232 601 HD13 10.1537 23.3890 55.6360 H 36 LEU36 0.0232 602 CD2 10.7480 24.9231 58.7007 C.3 36 LEU36 -0.0626 603 HD21 11.3843 25.6984 58.2737 H 36 LEU36 0.0232 604 HD22 11.1908 24.6168 59.6490 H 36 LEU36 0.0232 605 HD23 9.7759 25.3666 58.9164 H 36 LEU36 0.0232 606 N 11.3160 19.8410 57.9840 N.am 37 GLU37 -0.2456 607 H 10.8660 19.7210 58.8910 H 37 GLU37 0.1312 608 CA 12.5400 19.0740 57.6730 C.3 37 GLU37 0.0883 609 HA 13.2883 19.8349 57.4527 H 37 GLU37 0.0557 610 C 12.3370 18.2540 56.3990 C.2 37 GLU37 0.2187 611 O 13.2160 18.1550 55.5410 O.2 37 GLU37 -0.2778 612 CB 12.9906 18.2373 58.8777 C.3 37 GLU37 -0.0193 613 HB1 12.3045 17.4039 59.0310 H 37 GLU37 0.0290 614 HB2 12.9236 18.8468 59.7796 H 37 GLU37 0.0290 615 CG 14.4340 17.7157 58.7394 C.3 37 GLU37 0.0356 616 HG1 14.5452 17.1099 57.8410 H 37 GLU37 0.0374 617 HG2 14.6811 17.0756 59.5859 H 37 GLU37 0.0374 618 CD 15.4640 18.8608 58.6860 C.2 37 GLU37 0.1760 619 OE1 15.6741 19.4231 57.6113 O.co2 37 GLU37 -0.6478 620 OE2 16.0469 19.1772 59.7205 O.co2 37 GLU37 -0.6478 621 N 11.1390 17.6060 56.3390 N.am 38 LEU38 -0.2456 622 H 10.4740 17.6670 57.1100 H 38 LEU38 0.1312 623 CA 10.8290 16.8180 55.1370 C.3 38 LEU38 0.0880 624 HA 11.6386 16.1007 55.0002 H 38 LEU38 0.0557 625 C 10.7660 17.6850 53.9030 C.2 38 LEU38 0.2187 626 O 11.3760 17.3790 52.8750 O.2 38 LEU38 -0.2778 627 CB 9.4774 16.1055 55.3395 C.3 38 LEU38 -0.0266 628 HB1 9.1388 15.6631 54.4015 H 38 LEU38 0.0287 629 HB2 8.7316 16.8545 55.6054 H 38 LEU38 0.0287 630 CG 9.4951 15.0098 56.4208 C.3 38 LEU38 -0.0449 631 HG 9.9651 15.4091 57.3200 H 38 LEU38 0.0296 632 CD1 8.0670 14.5940 56.8002 C.3 38 LEU38 -0.0626 633 HD11 8.0768 13.8214 57.5696 H 38 LEU38 0.0232 634 HD12 7.5249 14.2062 55.9378 H 38 LEU38 0.0232 635 HD13 7.5063 15.4386 57.1978 H 38 LEU38 0.0232 636 CD2 10.3062 13.7870 55.9706 C.3 38 LEU38 -0.0626 637 HD21 10.2937 13.0094 56.7348 H 38 LEU38 0.0232 638 HD22 11.3496 14.0440 55.7902 H 38 LEU38 0.0232 639 HD23 9.9022 13.3613 55.0518 H 38 LEU38 0.0232 640 N 10.0530 18.7880 53.9840 N.am 39 ILE39 -0.2454 641 H 9.5740 19.0150 54.8550 H 39 ILE39 0.1312 642 CA 9.9380 19.7000 52.8300 C.3 39 ILE39 0.0903 643 HA 9.4835 19.1532 52.0062 H 39 ILE39 0.0560 644 C 11.2950 20.1810 52.3910 C.2 39 ILE39 0.2189 645 O 11.6170 20.2230 51.2190 O.2 39 ILE39 -0.2778 646 CB 9.0488 20.8902 53.2771 C.3 39 ILE39 -0.0201 647 HB 9.3924 21.1772 54.2721 H 39 ILE39 0.0318 648 CG1 7.5727 20.4778 53.4313 C.3 39 ILE39 -0.0514 649 HG11 7.0794 21.1870 54.0921 H 39 ILE39 0.0266 650 HG12 7.5033 19.5150 53.9348 H 39 ILE39 0.0266 651 CG2 9.1847 22.1548 52.4085 C.3 39 ILE39 -0.0605 652 HG21 8.4627 22.9169 52.7025 H 39 ILE39 0.0233 653 HG22 9.0259 21.9238 51.3578 H 39 ILE39 0.0233 654 HG23 10.1752 22.5996 52.5038 H 39 ILE39 0.0233 655 CD1 6.7963 20.4219 52.1097 C.3 39 ILE39 -0.0650 656 HD11 5.7811 20.0649 52.2719 H 39 ILE39 0.0230 657 HD12 7.2746 19.7565 51.3912 H 39 ILE39 0.0230 658 HD13 6.7124 21.4108 51.6597 H 39 ILE39 0.0230 659 N 12.1420 20.5660 53.3520 N.am 40 ASN40 -0.2452 660 H 11.8640 20.5350 54.3330 H 40 ASN40 0.1312 661 CA 13.4710 21.0310 52.9710 C.3 40 ASN40 0.0957 662 HA 13.3505 21.8756 52.2911 H 40 ASN40 0.0562 663 C 14.2830 19.9590 52.2750 C.2 40 ASN40 0.2189 664 O 15.0160 20.2800 51.3240 O.2 40 ASN40 -0.2778 665 CB 14.2296 21.4447 54.2452 C.3 40 ASN40 0.0446 666 HB1 15.2640 21.7051 54.0203 H 40 ASN40 0.0375 667 HB2 14.2568 20.6206 54.9619 H 40 ASN40 0.0375 668 CG 13.5896 22.6629 54.9209 C.2 40 ASN40 0.2000 669 OD1 12.9443 23.4957 54.2934 O.2 40 ASN40 -0.2797 670 ND2 13.8192 22.7070 56.2415 N.am 40 ASN40 -0.2723 671 HD21 13.4634 23.4567 56.7957 H 40 ASN40 0.1266 672 HD22 14.3458 21.9823 56.6930 H 40 ASN40 0.1266 673 N 14.2090 18.7190 52.7590 N.am 41 GLY41 -0.2485 674 H 13.6700 18.5200 53.6020 H 41 GLY41 0.1309 675 CA 14.9200 17.6460 52.0530 C.3 41 GLY41 0.0765 676 HA1 15.9842 17.8848 52.0370 H 41 GLY41 0.0521 677 HA2 14.7675 16.7303 52.6231 H 41 GLY41 0.0521 678 C 14.3940 17.4680 50.6430 C.2 41 GLY41 0.2155 679 O 15.1790 17.2220 49.7240 O.2 41 GLY41 -0.2781 680 N 13.0680 17.6020 50.4540 N.am 42 TYR42 -0.2456 681 H 12.4480 17.7440 51.2520 H 42 TYR42 0.1312 682 CA 12.5230 17.5430 49.1040 C.3 42 TYR42 0.0917 683 HA 12.9264 16.6454 48.6326 H 42 TYR42 0.0560 684 C 13.0160 18.7170 48.2730 C.2 42 TYR42 0.2190 685 O 13.4210 18.5190 47.1210 O.2 42 TYR42 -0.2778 686 CB 10.9814 17.4922 49.1312 C.3 42 TYR42 -0.0036 687 HB1 10.6051 18.4016 49.5989 H 42 TYR42 0.0333 688 HB2 10.5860 17.4772 48.1149 H 42 TYR42 0.0333 689 CG 10.4129 16.3014 49.8692 C.ar 42 TYR42 -0.0453 690 CD1 10.9670 15.0287 49.7389 C.ar 42 TYR42 -0.0561 691 HD1 11.8108 14.8538 49.0876 H 42 TYR42 0.0621 692 CD2 9.2900 16.4571 50.6793 C.ar 42 TYR42 -0.0561 693 HD2 8.8192 17.4243 50.7692 H 42 TYR42 0.0621 694 CE1 10.4516 13.9553 50.4537 C.ar 42 TYR42 -0.0317 695 HE1 10.8995 12.9782 50.3513 H 42 TYR42 0.0643 696 CE2 8.7710 15.3836 51.3925 C.ar 42 TYR42 -0.0317 697 HE2 7.9118 15.5202 52.0305 H 42 TYR42 0.0643 698 CZ 9.3614 14.1337 51.2921 C.ar 42 TYR42 0.0726 699 OH 8.8537 13.0622 52.0016 O.3 42 TYR42 -0.3598 700 HH 9.3677 12.2939 51.7846 H 42 TYR42 0.2173 701 N 12.9970 19.9100 48.8570 N.am 43 ILE43 -0.2454 702 H 12.6540 20.0480 49.8070 H 43 ILE43 0.1312 703 CA 13.5060 21.0160 48.0350 C.3 43 ILE43 0.0903 704 HA 12.8901 21.0542 47.1353 H 43 ILE43 0.0560 705 C 14.9390 20.8100 47.5820 C.2 43 ILE43 0.2189 706 O 15.3410 21.0930 46.4360 O.2 43 ILE43 -0.2778 707 CB 13.3140 22.3346 48.8310 C.3 43 ILE43 -0.0201 708 HB 13.7724 22.1894 49.8111 H 43 ILE43 0.0318 709 CG1 11.8131 22.6347 49.0478 C.3 43 ILE43 -0.0514 710 HG11 11.3019 21.7445 49.4051 H 43 ILE43 0.0266 711 HG12 11.3415 22.8789 48.0960 H 43 ILE43 0.0266 712 CG2 14.0010 23.5456 48.1705 C.3 43 ILE43 -0.0605 713 HG21 13.9066 24.4372 48.7891 H 43 ILE43 0.0233 714 HG22 13.5565 23.7646 47.2021 H 43 ILE43 0.0233 715 HG23 15.0690 23.3828 48.0264 H 43 ILE43 0.0233 716 CD1 11.5352 23.7537 50.0596 C.3 43 ILE43 -0.0650 717 HD11 10.4632 23.8661 50.2259 H 43 ILE43 0.0230 718 HD12 11.9111 24.7156 49.7147 H 43 ILE43 0.0230 719 HD13 11.9952 23.5337 51.0237 H 43 ILE43 0.0230 720 N 15.7610 20.3110 48.4950 N.am 44 GLN44 -0.2456 721 H 15.4200 20.0850 49.4290 H 44 GLN44 0.1312 722 CA 17.1530 20.0910 48.1450 C.3 44 GLN44 0.0882 723 HA 17.5662 21.0355 47.7886 H 44 GLN44 0.0557 724 C 17.2840 19.0540 47.0480 C.2 44 GLN44 0.2187 725 O 18.1300 19.1780 46.1540 O.2 44 GLN44 -0.2778 726 CB 17.8912 19.6142 49.3843 C.3 44 GLN44 -0.0210 727 CG 18.0197 20.7546 50.3885 C.3 44 GLN44 0.0225 728 CD 18.6853 20.2814 51.6729 C.2 44 GLN44 0.1981 729 OE1 19.8478 19.8826 51.6627 O.2 44 GLN44 -0.2798 730 NE2 17.9438 20.3264 52.7821 N.am 44 GLN44 -0.2724 731 HB2 17.3376 18.7932 49.8401 H 44 GLN44 0.0289 732 HB3 18.8852 19.2672 49.1020 H 44 GLN44 0.0289 733 HG2 18.6209 21.5502 49.9484 H 44 GLN44 0.0356 734 HG3 17.0275 21.1415 50.6205 H 44 GLN44 0.0356 735 HE21 16.9923 20.6624 52.7402 H 44 GLN44 0.1266 736 HE22 18.3344 20.0245 53.6632 H 44 GLN44 0.1266 737 N 16.4810 17.9930 47.0660 N.am 45 LYS45 -0.2457 738 H 15.7880 17.8610 47.8030 H 45 LYS45 0.1312 739 CA 16.6390 17.0220 45.9770 C.3 45 LYS45 0.0878 740 HA 17.6998 16.7759 45.8960 H 45 LYS45 0.0557 741 C 16.2060 17.6290 44.6580 C.2 45 LYS45 0.2187 742 O 16.8030 17.3290 43.6020 O.2 45 LYS45 -0.2778 743 CB 15.8593 15.7403 46.2939 C.3 45 LYS45 -0.0289 744 HB1 15.9772 15.0440 45.4645 H 45 LYS45 0.0285 745 HB2 14.7951 15.9708 46.3574 H 45 LYS45 0.0285 746 CG 16.2974 15.0512 47.6010 C.3 45 LYS45 -0.0496 747 HG1 15.5319 14.3347 47.8992 H 45 LYS45 0.0266 748 HG2 16.3256 15.7768 48.4050 H 45 LYS45 0.0266 749 CD 17.6735 14.3655 47.5425 C.3 45 LYS45 -0.0278 750 HD1 18.2883 14.7534 48.3551 H 45 LYS45 0.0282 751 HD2 18.1971 14.6432 46.6297 H 45 LYS45 0.0282 752 CE 17.6023 12.8368 47.6896 C.3 45 LYS45 0.1103 753 HE1 16.8672 12.5538 48.4432 H 45 LYS45 0.0559 754 HE2 18.5670 12.4305 47.9990 H 45 LYS45 0.0559 755 NZ 17.2438 12.1885 46.4422 N.4 45 LYS45 -0.0749 756 HZ1 16.6955 11.3158 46.5860 H 45 LYS45 0.2742 757 HZ2 18.0904 11.9786 45.8825 H 45 LYS45 0.2742 758 HZ3 16.5945 12.7954 45.9042 H 45 LYS45 0.2742 759 N 15.1970 18.4860 44.7010 N.am 46 ILE46 -0.2454 760 H 14.7460 18.7260 45.5840 H 46 ILE46 0.1312 761 CA 14.7410 19.0900 43.4130 C.3 46 ILE46 0.0903 762 HA 14.6237 18.2904 42.6868 H 46 ILE46 0.0560 763 C 15.8270 20.0270 42.9190 C.2 46 ILE46 0.2189 764 O 16.2550 20.0160 41.7600 O.2 46 ILE46 -0.2778 765 CB 13.3960 19.8159 43.6395 C.3 46 ILE46 -0.0201 766 HB 13.5383 20.5394 44.4438 H 46 ILE46 0.0318 767 CG1 12.3180 18.8151 44.0883 C.3 46 ILE46 -0.0514 768 HG11 12.7559 18.0955 44.7746 H 46 ILE46 0.0266 769 HG12 11.9753 18.2328 43.2315 H 46 ILE46 0.0266 770 CG2 12.9279 20.5678 42.3809 C.3 46 ILE46 -0.0605 771 HG21 11.9570 21.0364 42.5330 H 46 ILE46 0.0233 772 HG22 12.8329 19.8850 41.5356 H 46 ILE46 0.0233 773 HG23 13.6268 21.3541 42.0968 H 46 ILE46 0.0233 774 CD1 11.1268 19.4604 44.8043 C.3 46 ILE46 -0.0650 775 HD11 10.3591 18.7204 45.0309 H 46 ILE46 0.0230 776 HD12 10.6676 20.2350 44.1970 H 46 ILE46 0.0230 777 HD13 11.4367 19.9074 45.7479 H 46 ILE46 0.0230 778 N 16.3110 20.8960 43.8140 N.am 47 LYS47 -0.2456 779 H 16.0150 20.8520 44.7890 H 47 LYS47 0.1312 780 CA 17.2710 21.9100 43.3750 C.3 47 LYS47 0.0878 781 HA 16.7960 22.4134 42.5311 H 47 LYS47 0.0557 782 C 18.5210 21.3130 42.7650 C.2 47 LYS47 0.2187 783 O 19.1070 21.8460 41.8280 O.2 47 LYS47 -0.2778 784 CB 17.4946 22.9523 44.4878 C.3 47 LYS47 -0.0289 785 HB1 18.5332 23.2870 44.4808 H 47 LYS47 0.0285 786 HB2 17.3397 22.4938 45.4654 H 47 LYS47 0.0285 787 CG 16.5909 24.1953 44.3149 C.3 47 LYS47 -0.0496 788 HG1 16.8737 24.6848 43.3817 H 47 LYS47 0.0266 789 HG2 16.8076 24.9114 45.1079 H 47 LYS47 0.0266 790 CD 15.0782 23.8928 44.2882 C.3 47 LYS47 -0.0278 791 HD1 14.7430 23.5684 45.2727 H 47 LYS47 0.0282 792 HD2 14.8920 23.0478 43.6265 H 47 LYS47 0.0282 793 CE 14.2197 25.0569 43.7571 C.3 47 LYS47 0.1103 794 HE1 13.2393 24.6783 43.4663 H 47 LYS47 0.0559 795 HE2 14.6639 25.4712 42.8492 H 47 LYS47 0.0559 796 NZ 13.9955 26.1526 44.7039 N.4 47 LYS47 -0.0749 797 HZ1 13.3864 26.8777 44.2679 H 47 LYS47 0.2742 798 HZ2 14.9045 26.5850 44.9665 H 47 LYS47 0.2742 799 HZ3 13.5238 25.7920 45.5583 H 47 LYS47 0.2742 800 N 18.9720 20.1990 43.3240 N.am 48 SER48 -0.2436 801 H 18.4220 19.7210 44.0380 H 48 SER48 0.1312 802 CA 20.2670 19.6630 42.9050 C.3 48 SER48 0.1109 803 HA 20.9332 20.4681 42.5925 H 48 SER48 0.0580 804 C 20.0500 18.6970 41.7520 C.2 48 SER48 0.2207 805 O 20.9940 18.1030 41.2300 O.2 48 SER48 -0.2777 806 CB 20.8706 18.8801 44.0820 C.3 48 SER48 0.0681 807 HB1 21.0279 19.5621 44.9231 H 48 SER48 0.0577 808 HB2 21.8451 18.4699 43.7933 H 48 SER48 0.0577 809 OG 19.9893 17.8335 44.4729 O.3 48 SER48 -0.3930 810 HG 20.3582 17.3018 45.1759 H 48 SER48 0.2095 811 N 18.7780 18.5820 41.3850 N.am 49 GLY49 -0.2484 812 H 18.0470 19.0940 41.8790 H 49 GLY49 0.1309 813 CA 18.4470 17.7170 40.2710 C.3 49 GLY49 0.0765 814 HA1 17.4230 17.9518 39.9829 H 49 GLY49 0.0521 815 HA2 19.1089 17.9361 39.4322 H 49 GLY49 0.0521 816 C 18.5290 16.2550 40.6350 C.2 49 GLY49 0.2155 817 O 18.4660 15.4130 39.7380 O.2 49 GLY49 -0.2781 818 N 18.6420 15.9170 41.9260 N.am 50 GLU50 -0.2459 819 H 18.7440 16.6150 42.6630 H 50 GLU50 0.1312 820 CA 18.6090 14.4720 42.2120 C.3 50 GLU50 0.0883 821 HA 19.3646 14.0100 41.5734 H 50 GLU50 0.0557 822 C 17.2550 13.8590 41.8630 C.2 50 GLU50 0.2187 823 O 17.1900 12.7180 41.3870 O.2 50 GLU50 -0.2778 824 CB 18.9929 14.2309 43.6788 C.3 50 GLU50 -0.0193 825 HB1 18.1241 14.3646 44.3249 H 50 GLU50 0.0290 826 HB2 19.7146 14.9875 43.9866 H 50 GLU50 0.0290 827 CG 19.6336 12.8464 43.8885 C.3 50 GLU50 0.0356 828 HG1 18.9778 12.0680 43.4976 H 50 GLU50 0.0374 829 HG2 20.5768 12.7733 43.3492 H 50 GLU50 0.0374 830 CD 19.9103 12.5500 45.3698 C.2 50 GLU50 0.1760 831 OE1 19.7289 11.4102 45.7868 O.co2 50 GLU50 -0.6478 832 OE2 20.2781 13.4484 46.1140 O.co2 50 GLU50 -0.6478 833 N 16.1380 14.5480 42.0610 N.am 51 GLU51 -0.2456 834 H 16.2560 15.5060 42.3900 H 51 GLU51 0.1312 835 CA 14.7780 14.1080 41.8680 C.3 51 GLU51 0.0883 836 HA 14.7937 13.2746 41.1630 H 51 GLU51 0.0557 837 C 13.9400 15.2200 41.2170 C.2 51 GLU51 0.2187 838 O 14.2350 16.3980 41.4470 O.2 51 GLU51 -0.2778 839 CB 14.1829 13.6483 43.2153 C.3 51 GLU51 -0.0193 840 HB1 13.0940 13.6542 43.1747 H 51 GLU51 0.0290 841 HB2 14.4499 14.3863 43.9704 H 51 GLU51 0.0290 842 CG 14.6288 12.2184 43.6127 C.3 51 GLU51 0.0356 843 HG1 15.5602 11.9581 43.1146 H 51 GLU51 0.0374 844 HG2 13.8933 11.4888 43.2765 H 51 GLU51 0.0374 845 CD 14.8820 11.9957 45.1169 C.2 51 GLU51 0.1760 846 OE1 15.1981 10.8821 45.5222 O.co2 51 GLU51 -0.6478 847 OE2 14.8063 12.9253 45.9099 O.co2 51 GLU51 -0.6478 848 N 12.9240 14.8460 40.4710 N.am 52 ASP52 -0.2451 849 H 12.7720 13.8500 40.3130 H 52 ASP52 0.1312 850 CA 12.0060 15.8020 39.8610 C.3 52 ASP52 0.0974 851 HA 12.5766 16.7136 39.6769 H 52 ASP52 0.0563 852 C 10.8710 16.1730 40.8030 C.2 52 ASP52 0.2192 853 O 10.4580 15.3320 41.6220 O.2 52 ASP52 -0.2778 854 CB 11.4633 15.3250 38.4821 C.3 52 ASP52 0.0576 855 HB1 10.8093 16.0844 38.0539 H 52 ASP52 0.0394 856 HB2 12.3025 15.2335 37.7942 H 52 ASP52 0.0394 857 CG 10.7144 13.9698 38.4327 C.2 52 ASP52 0.1780 858 OD1 9.5275 13.9186 38.0862 O.co2 52 ASP52 -0.6478 859 OD2 11.3323 12.9567 38.7279 O.co2 52 ASP52 -0.6478 860 N 10.3790 17.4040 40.7160 N.am 53 PHE53 -0.2453 861 H 10.7820 18.0590 40.0460 H 53 PHE53 0.1312 862 CA 9.2620 17.8370 41.5700 C.3 53 PHE53 0.0917 863 HA 9.6409 17.9004 42.5907 H 53 PHE53 0.0560 864 C 8.1050 16.8530 41.5280 C.2 53 PHE53 0.2190 865 O 7.5120 16.3860 42.5040 O.2 53 PHE53 -0.2778 866 CB 8.8108 19.2124 41.0401 C.3 53 PHE53 -0.0036 867 HB1 8.3941 19.1222 40.0354 H 53 PHE53 0.0333 868 HB2 9.6843 19.8570 40.9361 H 53 PHE53 0.0333 869 CG 7.8077 19.9057 41.9248 C.ar 53 PHE53 -0.0454 870 CD1 6.4506 19.5940 41.8610 C.ar 53 PHE53 -0.0585 871 HD1 6.0997 18.8319 41.1795 H 53 PHE53 0.0620 872 CD2 8.2265 20.9120 42.7860 C.ar 53 PHE53 -0.0585 873 HD2 9.2668 21.1951 42.8175 H 53 PHE53 0.0620 874 CE1 5.5347 20.2568 42.6684 C.ar 53 PHE53 -0.0615 875 HE1 4.4851 20.0060 42.6158 H 53 PHE53 0.0618 876 CE2 7.3139 21.5780 43.5872 C.ar 53 PHE53 -0.0615 877 HE2 7.6443 22.3703 44.2345 H 53 PHE53 0.0618 878 CZ 5.9702 21.2512 43.5318 C.ar 53 PHE53 -0.0617 879 HZ 5.2731 21.7946 44.1466 H 53 PHE53 0.0618 880 N 7.7040 16.4970 40.3220 N.am 54 GLU54 -0.2456 881 H 8.2270 16.8420 39.5170 H 54 GLU54 0.1312 882 CA 6.5480 15.6320 40.0800 C.3 54 GLU54 0.0883 883 HA 5.6931 16.0960 40.5747 H 54 GLU54 0.0557 884 C 6.6970 14.2440 40.6500 C.2 54 GLU54 0.2187 885 O 5.7890 13.6290 41.1950 O.2 54 GLU54 -0.2778 886 CB 6.2740 15.5381 38.6012 C.3 54 GLU54 -0.0193 887 HB1 7.2211 15.2669 38.1442 H 54 GLU54 0.0290 888 HB2 5.5447 14.7422 38.5062 H 54 GLU54 0.0290 889 CG 5.6793 16.7323 37.8485 C.3 54 GLU54 0.0356 890 HG1 6.3751 17.5687 37.7951 H 54 GLU54 0.0374 891 HG2 4.7540 17.0765 38.3100 H 54 GLU54 0.0374 892 CD 5.3728 16.2031 36.4317 C.2 54 GLU54 0.1760 893 OE1 4.3079 15.6316 36.2238 O.co2 54 GLU54 -0.6478 894 OE2 6.2110 16.3275 35.5463 O.co2 54 GLU54 -0.6478 895 N 7.9060 13.6810 40.5240 N.am 55 SER55 -0.2436 896 H 8.6460 14.1510 40.0020 H 55 SER55 0.1312 897 CA 8.1430 12.3940 41.1430 C.3 55 SER55 0.1109 898 HA 7.3752 11.7166 40.7738 H 55 SER55 0.0580 899 C 8.0560 12.4400 42.6650 C.2 55 SER55 0.2209 900 O 7.4800 11.5530 43.2980 O.2 55 SER55 -0.2777 901 CB 9.5043 11.8309 40.7315 C.3 55 SER55 0.0681 902 HB1 10.2954 12.5397 41.0070 H 55 SER55 0.0577 903 HB2 9.5076 11.7157 39.6446 H 55 SER55 0.0577 904 OG 9.7203 10.5586 41.3380 O.3 55 SER55 -0.3930 905 HG 10.5974 10.2395 41.1333 H 55 SER55 0.2095 906 N 8.6960 13.4580 43.2540 N.am 56 LEU56 -0.2456 907 H 9.2620 14.1160 42.7180 H 56 LEU56 0.1312 908 CA 8.5440 13.5830 44.7140 C.3 56 LEU56 0.0880 909 HA 8.8650 12.6390 45.1551 H 56 LEU56 0.0557 910 C 7.1070 13.8030 45.1360 C.2 56 LEU56 0.2187 911 O 6.6570 13.2690 46.1420 O.2 56 LEU56 -0.2778 912 CB 9.3995 14.7420 45.2330 C.3 56 LEU56 -0.0266 913 HB1 9.2040 14.9091 46.2936 H 56 LEU56 0.0287 914 HB2 9.1093 15.6591 44.7170 H 56 LEU56 0.0287 915 CG 10.9012 14.5066 45.0496 C.3 56 LEU56 -0.0449 916 HG 11.1022 14.3336 43.9921 H 56 LEU56 0.0296 917 CD1 11.6763 15.7533 45.4650 C.3 56 LEU56 -0.0626 918 HD11 11.2635 16.6118 44.9445 H 56 LEU56 0.0232 919 HD12 12.7326 15.6682 45.2083 H 56 LEU56 0.0232 920 HD13 11.6000 15.9383 46.5362 H 56 LEU56 0.0232 921 CD2 11.3842 13.2898 45.8413 C.3 56 LEU56 -0.0626 922 HD21 12.4617 13.2056 45.7748 H 56 LEU56 0.0232 923 HD22 10.9752 12.3590 45.4515 H 56 LEU56 0.0232 924 HD23 11.1275 13.3729 46.8971 H 56 LEU56 0.0232 925 N 6.3400 14.5790 44.3750 N.am 57 ALA57 -0.2459 926 H 6.7260 15.0140 43.5370 H 57 ALA57 0.1312 927 CA 4.9540 14.8050 44.7380 C.3 57 ALA57 0.0850 928 HA 4.9397 15.1657 45.7661 H 57 ALA57 0.0554 929 C 4.1660 13.5190 44.6660 C.2 57 ALA57 0.2185 930 O 3.3390 13.2330 45.5400 O.2 57 ALA57 -0.2778 931 CB 4.3602 15.8624 43.7974 C.3 57 ALA57 -0.0411 932 HB1 3.3233 16.0860 44.0514 H 57 ALA57 0.0249 933 HB2 4.3885 15.5339 42.7571 H 57 ALA57 0.0249 934 HB3 4.9227 16.7943 43.8605 H 57 ALA57 0.0249 935 N 4.4150 12.7110 43.6360 N.am 58 SER58 -0.2436 936 H 5.1350 12.9630 42.9590 H 58 SER58 0.1312 937 CA 3.6590 11.4560 43.4650 C.3 58 SER58 0.1109 938 HA 2.6040 11.7148 43.5413 H 58 SER58 0.0580 939 C 3.9720 10.5280 44.6250 C.2 58 SER58 0.2209 940 O 3.0530 9.7700 44.9990 O.2 58 SER58 -0.2777 941 CB 3.9163 10.7878 42.1077 C.3 58 SER58 0.0681 942 HB1 3.4605 9.7949 42.0651 H 58 SER58 0.0577 943 HB2 3.4141 11.3786 41.3468 H 58 SER58 0.0577 944 OG 5.2716 10.6843 41.7217 O.3 58 SER58 -0.3930 945 HG 5.8191 10.6189 42.4984 H 58 SER58 0.2095 946 N 5.1760 10.5860 45.1820 N.am 59 GLN59 -0.2456 947 H 5.8410 11.2990 44.8820 H 59 GLN59 0.1312 948 CA 5.5550 9.6240 46.2330 C.3 59 GLN59 0.0882 949 HA 5.0385 8.6788 46.0545 H 59 GLN59 0.0557 950 C 5.2320 10.0860 47.6510 C.2 59 GLN59 0.2187 951 O 4.8890 9.2580 48.5070 O.2 59 GLN59 -0.2778 952 CB 7.0773 9.4160 46.1520 C.3 59 GLN59 -0.0210 953 HB1 7.5687 10.3894 46.1881 H 59 GLN59 0.0289 954 HB2 7.4205 8.8620 47.0285 H 59 GLN59 0.0289 955 CG 7.5462 8.6653 44.8987 C.3 59 GLN59 0.0225 956 HG1 7.0931 7.6758 44.8519 H 59 GLN59 0.0356 957 HG2 7.2754 9.1881 43.9853 H 59 GLN59 0.0356 958 CD 9.0687 8.4939 44.9493 C.2 59 GLN59 0.1981 959 OE1 9.5838 7.5978 45.6034 O.2 59 GLN59 -0.2798 960 NE2 9.7487 9.4018 44.2326 N.am 59 GLN59 -0.2724 961 HE21 10.7486 9.3822 44.2390 H 59 GLN59 0.1266 962 HE22 9.2893 10.1026 43.6853 H 59 GLN59 0.1266 963 N 5.3320 11.3930 47.8510 N.am 60 PHE60 -0.2453 964 H 5.3770 12.0340 47.0590 H 60 PHE60 0.1312 965 CA 5.3770 11.9040 49.2190 C.3 60 PHE60 0.0917 966 HA 5.1863 11.0933 49.9214 H 60 PHE60 0.0560 967 C 4.3650 12.9700 49.5410 C.2 60 PHE60 0.2191 968 O 4.2400 13.3560 50.6950 O.2 60 PHE60 -0.2778 969 CB 6.7802 12.4852 49.4740 C.3 60 PHE60 -0.0036 970 HB1 6.8578 12.8394 50.5015 H 60 PHE60 0.0333 971 HB2 6.9470 13.3557 48.8365 H 60 PHE60 0.0333 972 CG 7.8812 11.4829 49.2375 C.ar 60 PHE60 -0.0454 973 CD1 7.9388 10.3044 49.9765 C.ar 60 PHE60 -0.0585 974 HD1 7.1878 10.0968 50.7214 H 60 PHE60 0.0620 975 CD2 8.8605 11.7224 48.2772 C.ar 60 PHE60 -0.0585 976 HD2 8.8386 12.6299 47.6910 H 60 PHE60 0.0620 977 CE1 8.9426 9.3728 49.7470 C.ar 60 PHE60 -0.0615 978 HE1 8.9711 8.4521 50.3108 H 60 PHE60 0.0618 979 CE2 9.8673 10.7935 48.0485 C.ar 60 PHE60 -0.0615 980 HE2 10.6183 10.9763 47.2934 H 60 PHE60 0.0618 981 CZ 9.9067 9.6164 48.7799 C.ar 60 PHE60 -0.0617 982 HZ 10.6844 8.8910 48.5870 H 60 PHE60 0.0618 983 N 3.6200 13.4930 48.5770 N.am 61 SER61 -0.2436 984 H 3.7100 13.1860 47.6090 H 61 SER61 0.1312 985 CA 2.6650 14.5280 48.9620 C.3 61 SER61 0.1109 986 HA 3.1738 15.2645 49.5879 H 61 SER61 0.0580 987 C 1.4770 13.9340 49.7090 C.2 61 SER61 0.2209 988 O 0.9360 12.8970 49.2560 O.2 61 SER61 -0.2777 989 CB 2.1528 15.2107 47.6830 C.3 61 SER61 0.0681 990 HB1 3.0075 15.6089 47.1285 H 61 SER61 0.0577 991 HB2 1.6776 14.4636 47.0396 H 61 SER61 0.0577 992 OG 1.2328 16.2577 47.9814 O.3 61 SER61 -0.3930 993 HG 0.9169 16.6729 47.1800 H 61 SER61 0.2095 994 N 1.0610 14.5600 50.7830 N.am 62 ASP62 -0.2451 995 H 1.5950 15.3740 51.0880 H 62 ASP62 0.1312 996 CA -0.1060 14.1850 51.5780 C.3 62 ASP62 0.0974 997 HA -0.1520 13.0943 51.5883 H 62 ASP62 0.0563 998 C -1.3910 14.6730 50.9590 C.2 62 ASP62 0.2192 999 O -2.4510 14.3770 51.4990 O.2 62 ASP62 -0.2778 1000 CB 0.0591 14.7030 53.0198 C.3 62 ASP62 0.0576 1001 HB1 -0.8656 14.5903 53.5805 H 62 ASP62 0.0394 1002 HB2 0.2995 15.7645 52.9926 H 62 ASP62 0.0394 1003 CG 1.1600 13.9768 53.8260 C.2 62 ASP62 0.1780 1004 OD1 0.9646 12.8706 54.3081 O.co2 62 ASP62 -0.6478 1005 OD2 2.2399 14.5100 53.9967 O.co2 62 ASP62 -0.6478 1006 N -1.3500 15.3730 49.8420 N.am 63 CYS63 -0.2449 1007 H -0.4560 15.6570 49.4420 H 63 CYS63 0.1312 1008 CA -2.6080 15.7360 49.1850 C.3 63 CYS63 0.0965 1009 HA -3.3848 15.8983 49.9358 H 63 CYS63 0.0565 1010 C -3.0390 14.6420 48.2440 C.2 63 CYS63 0.2195 1011 O -2.1830 13.9460 47.6570 O.2 63 CYS63 -0.2778 1012 CB -2.4035 17.0295 48.3904 C.3 63 CYS63 0.0147 1013 HB1 -1.6274 16.8953 47.6371 H 63 CYS63 0.0394 1014 HB2 -2.0498 17.8118 49.0604 H 63 CYS63 0.0394 1015 SG -3.9153 17.6046 47.5711 S.3 63 CYS63 -0.1762 1016 HG -3.6821 18.7675 46.9546 H 63 CYS63 0.1017 1017 N -4.3140 14.4210 48.0120 N.am 64 SER64 -0.2436 1018 H -5.0310 14.9490 48.5090 H 64 SER64 0.1312 1019 CA -4.6890 13.3940 47.0180 C.3 64 SER64 0.1109 1020 HA -4.1153 12.5042 47.2890 H 64 SER64 0.0580 1021 C -4.2700 13.7580 45.6110 C.2 64 SER64 0.2210 1022 O -4.2800 12.8710 44.7490 O.2 64 SER64 -0.2777 1023 CB -6.1769 12.9982 47.0767 C.3 64 SER64 0.0681 1024 HB1 -6.2683 11.9790 46.6961 H 64 SER64 0.0577 1025 HB2 -6.5245 12.9421 48.1160 H 64 SER64 0.0577 1026 OG -7.0420 13.7996 46.2791 O.3 64 SER64 -0.3930 1027 HG -7.1418 14.6555 46.6938 H 64 SER64 0.2095 1028 N -3.8530 14.9940 45.3470 N.am 65 SER65 -0.2435 1029 H -3.9310 15.7130 46.0660 H 65 SER65 0.1312 1030 CA -3.2830 15.3400 44.0400 C.3 65 SER65 0.1109 1031 HA -3.9885 15.0510 43.2613 H 65 SER65 0.0580 1032 C -1.9510 14.6390 43.7900 C.2 65 SER65 0.2209 1033 O -1.4530 14.7060 42.6550 O.2 65 SER65 -0.2777 1034 CB -2.9947 16.8503 43.9811 C.3 65 SER65 0.0681 1035 HB1 -3.9246 17.4137 44.0435 H 65 SER65 0.0577 1036 HB2 -2.5293 17.1106 43.0194 H 65 SER65 0.0577 1037 OG -2.1666 17.2108 45.0807 O.3 65 SER65 -0.3930 1038 HG -1.7985 18.0836 44.9633 H 65 SER65 0.2095 1039 N -1.4080 13.9410 44.7920 N.am 66 ALA66 -0.2459 1040 H -1.7920 14.0160 45.7340 H 66 ALA66 0.1312 1041 CA -0.2620 13.0690 44.5360 C.3 66 ALA66 0.0850 1042 HA 0.5819 13.7184 44.2956 H 66 ALA66 0.0554 1043 C -0.4880 12.1170 43.3600 C.2 66 ALA66 0.2184 1044 O 0.3790 11.7090 42.6010 O.2 66 ALA66 -0.2778 1045 CB 0.0369 12.2619 45.8013 C.3 66 ALA66 -0.0411 1046 HB1 0.1634 12.9131 46.6646 H 66 ALA66 0.0249 1047 HB2 0.9521 11.6798 45.6865 H 66 ALA66 0.0249 1048 HB3 -0.7762 11.5736 46.0327 H 66 ALA66 0.0249 1049 N -1.7390 11.7050 43.2070 N.am 67 LYS67 -0.2457 1050 H -2.4610 12.0610 43.8330 H 67 LYS67 0.1312 1051 CA -2.1040 10.7570 42.1660 C.3 67 LYS67 0.0878 1052 HA -1.4486 9.8880 42.2513 H 67 LYS67 0.0557 1053 C -1.9580 11.3780 40.7880 C.2 67 LYS67 0.2187 1054 O -1.6960 10.6760 39.8240 O.2 67 LYS67 -0.2778 1055 CB -3.5855 10.3761 42.3987 C.3 67 LYS67 -0.0289 1056 HB1 -3.6930 10.0520 43.4344 H 67 LYS67 0.0285 1057 HB2 -3.8511 9.5138 41.7858 H 67 LYS67 0.0285 1058 CG -4.5680 11.5355 42.1086 C.3 67 LYS67 -0.0496 1059 HG1 -4.0960 12.4745 42.3936 H 67 LYS67 0.0266 1060 HG2 -4.7365 11.6144 41.0335 H 67 LYS67 0.0266 1061 CD -5.9177 11.4499 42.8359 C.3 67 LYS67 -0.0278 1062 HD1 -6.5211 10.6429 42.4186 H 67 LYS67 0.0282 1063 HD2 -5.7473 11.1878 43.8801 H 67 LYS67 0.0282 1064 CE -6.6674 12.7928 42.7515 C.3 67 LYS67 0.1103 1065 HE1 -7.1101 12.9131 41.7604 H 67 LYS67 0.0559 1066 HE2 -5.9728 13.6252 42.8851 H 67 LYS67 0.0559 1067 NZ -7.7191 12.9538 43.7565 N.4 67 LYS67 -0.0749 1068 HZ1 -8.2124 13.8582 43.6101 H 67 LYS67 0.2742 1069 HZ2 -7.2970 12.9634 44.7095 H 67 LYS67 0.2742 1070 HZ3 -8.4019 12.1729 43.6869 H 67 LYS67 0.2742 1071 N -2.0970 12.6920 40.7080 N.am 68 ALA68 -0.2459 1072 H -2.4040 13.1950 41.5410 H 68 ALA68 0.1312 1073 CA -1.8390 13.4540 39.5100 C.3 68 ALA68 0.0850 1074 HA -1.9126 12.7960 38.6424 H 68 ALA68 0.0554 1075 C -0.4390 14.0710 39.5240 C.2 68 ALA68 0.2184 1076 O -0.2360 15.0950 38.8690 O.2 68 ALA68 -0.2778 1077 CB -2.9024 14.5567 39.4141 C.3 68 ALA68 -0.0411 1078 HB1 -2.8162 15.1108 38.4788 H 68 ALA68 0.0249 1079 HB2 -2.8145 15.2711 40.2344 H 68 ALA68 0.0249 1080 HB3 -3.9054 14.1325 39.4474 H 68 ALA68 0.0249 1081 N 0.5050 13.4530 40.2190 N.am 69 ARG69 -0.2457 1082 H 0.2700 12.5880 40.7050 H 69 ARG69 0.1312 1083 CA 1.8710 13.9660 40.3150 C.3 69 ARG69 0.0879 1084 HA 2.3481 13.4053 41.1175 H 69 ARG69 0.0557 1085 C 1.8950 15.4280 40.7400 C.2 69 ARG69 0.2185 1086 O 2.7780 16.1650 40.3140 O.2 69 ARG69 -0.2778 1087 CB 2.6457 13.7368 38.9549 C.3 69 ARG69 -0.0258 1088 HB1 1.9273 13.6947 38.1362 H 69 ARG69 0.0286 1089 HB2 3.2838 14.5834 38.7032 H 69 ARG69 0.0286 1090 CG 3.5492 12.4772 38.8992 C.3 69 ARG69 -0.0154 1091 HG1 4.3681 12.5820 39.6062 H 69 ARG69 0.0299 1092 HG2 2.9504 11.6372 39.2488 H 69 ARG69 0.0299 1093 CD 4.1286 12.0612 37.5160 C.3 69 ARG69 0.1045 1094 HD1 3.3178 11.9805 36.7893 H 69 ARG69 0.0711 1095 HD2 4.5945 11.0762 37.5774 H 69 ARG69 0.0711 1096 NE 5.1096 12.9778 36.9182 N.pl3 69 ARG69 -0.4450 1097 HE 4.7988 13.7708 36.3744 H 69 ARG69 0.3153 1098 CZ 6.4498 12.9728 36.9935 C.cat 69 ARG69 0.5062 1099 NH1 7.1418 13.8141 36.2830 N.pl3 69 ARG69 -0.4573 1100 HH11 8.1413 13.8095 36.3472 H 69 ARG69 0.3114 1101 HH12 6.6762 14.5024 35.7094 H 69 ARG69 0.3114 1102 NH2 7.1298 12.1826 37.7756 N.pl3 69 ARG69 -0.4573 1103 HH21 8.1190 12.3717 37.8480 H 69 ARG69 0.3114 1104 HH22 6.6977 11.4548 38.2899 H 69 ARG69 0.3114 1105 N 0.9480 15.7710 41.6080 N.am 70 GLY70 -0.2485 1106 H 0.2170 15.0920 41.8210 H 70 GLY70 0.1309 1107 CA 0.9030 17.0490 42.2600 C.3 70 GLY70 0.0765 1108 HA1 1.9152 17.4493 42.3397 H 70 GLY70 0.0521 1109 HA2 0.5392 16.8667 43.2706 H 70 GLY70 0.0521 1110 C 0.0190 18.0730 41.6150 C.2 70 GLY70 0.2155 1111 O -0.1880 19.1400 42.2020 O.2 70 GLY70 -0.2781 1112 N -0.5100 17.7610 40.4070 N.am 71 ASP71 -0.2454 1113 H -0.4140 16.8140 40.0420 H 71 ASP71 0.1312 1114 CA -1.2100 18.7630 39.6310 C.3 71 ASP71 0.0974 1115 HA -0.6060 19.6714 39.5896 H 71 ASP71 0.0563 1116 C -2.5500 19.0440 40.2800 C.2 71 ASP71 0.2192 1117 O -3.3620 18.1650 40.5540 O.2 71 ASP71 -0.2778 1118 CB -1.4150 18.1764 38.2213 C.3 71 ASP71 0.0576 1119 HB1 -0.4483 17.9929 37.7546 H 71 ASP71 0.0394 1120 HB2 -1.9187 17.2130 38.2834 H 71 ASP71 0.0394 1121 CG -2.2221 19.0806 37.2757 C.2 71 ASP71 0.1780 1122 OD1 -2.0491 20.2886 37.3042 O.co2 71 ASP71 -0.6478 1123 OD2 -3.0250 18.5816 36.4945 O.co2 71 ASP71 -0.6478 1124 N -2.8470 20.3120 40.5390 N.am 72 LEU72 -0.2456 1125 H -2.1480 21.0370 40.3760 H 72 LEU72 0.1312 1126 CA -4.1460 20.6760 41.0480 C.3 72 LEU72 0.0880 1127 HA -4.6238 19.8291 41.5384 H 72 LEU72 0.0557 1128 C -5.0810 21.1630 39.9460 C.2 72 LEU72 0.2185 1129 O -6.2370 21.5330 40.1700 O.2 72 LEU72 -0.2778 1130 CB -3.9747 21.8440 42.0389 C.3 72 LEU72 -0.0266 1131 HB1 -4.9423 22.2887 42.2794 H 72 LEU72 0.0287 1132 HB2 -3.4018 22.6337 41.5486 H 72 LEU72 0.0287 1133 CG -3.2910 21.4645 43.3599 C.3 72 LEU72 -0.0449 1134 HG -2.3698 20.9308 43.1278 H 72 LEU72 0.0296 1135 CD1 -2.9215 22.7342 44.1376 C.3 72 LEU72 -0.0626 1136 HD11 -2.4646 22.4965 45.0970 H 72 LEU72 0.0232 1137 HD12 -3.8034 23.3440 44.3372 H 72 LEU72 0.0232 1138 HD13 -2.2163 23.3454 43.5732 H 72 LEU72 0.0232 1139 CD2 -4.1866 20.5553 44.2143 C.3 72 LEU72 -0.0626 1140 HD21 -3.7266 20.3308 45.1748 H 72 LEU72 0.0232 1141 HD22 -4.3808 19.6080 43.7160 H 72 LEU72 0.0232 1142 HD23 -5.1472 21.0302 44.4156 H 72 LEU72 0.0232 1143 N -4.5770 21.2420 38.7000 N.am 73 GLY73 -0.2485 1144 H -3.6630 20.8410 38.4940 H 73 GLY73 0.1309 1145 CA -5.3300 21.8940 37.6580 C.3 73 GLY73 0.0765 1146 HA1 -6.3581 21.5313 37.6776 H 73 GLY73 0.0521 1147 HA2 -4.8694 21.5796 36.7210 H 73 GLY73 0.0521 1148 C -5.2880 23.4110 37.7490 C.2 73 GLY73 0.2155 1149 O -4.6690 24.0100 38.6140 O.2 73 GLY73 -0.2781 1150 N -5.9780 24.0640 36.8290 N.am 74 ALA74 -0.2462 1151 H -6.4970 23.5270 36.1340 H 74 ALA74 0.1311 1152 CA -6.0270 25.5210 36.7670 C.3 74 ALA74 0.0850 1153 HA -5.0586 25.8895 37.1006 H 74 ALA74 0.0554 1154 C -7.0600 26.0520 37.7410 C.2 74 ALA74 0.2184 1155 O -8.1460 25.4620 37.8890 O.2 74 ALA74 -0.2778 1156 CB -6.1996 25.9521 35.3139 C.3 74 ALA74 -0.0411 1157 HB1 -6.4016 27.0189 35.2258 H 74 ALA74 0.0249 1158 HB2 -6.9883 25.3797 34.8359 H 74 ALA74 0.0249 1159 HB3 -5.2868 25.7481 34.7525 H 74 ALA74 0.0249 1160 N -6.7750 27.1540 38.4120 N.am 75 PHE75 -0.2453 1161 H -5.8800 27.6310 38.3040 H 75 PHE75 0.1312 1162 CA -7.8080 27.6540 39.3170 C.3 75 PHE75 0.0917 1163 HA -8.7961 27.3425 38.9816 H 75 PHE75 0.0560 1164 C -7.7760 29.1770 39.2200 C.2 75 PHE75 0.2191 1165 O -6.7260 29.7570 38.8780 O.2 75 PHE75 -0.2778 1166 CB -7.5620 27.1468 40.7470 C.3 75 PHE75 -0.0036 1167 HB1 -7.7907 26.0818 40.7957 H 75 PHE75 0.0333 1168 HB2 -8.2461 27.6330 41.4328 H 75 PHE75 0.0333 1169 CG -6.1554 27.3558 41.2421 C.ar 75 PHE75 -0.0454 1170 CD1 -5.8023 28.5185 41.9234 C.ar 75 PHE75 -0.0585 1171 HD1 -6.5344 29.2982 42.0857 H 75 PHE75 0.0620 1172 CD2 -5.2020 26.3574 41.0700 C.ar 75 PHE75 -0.0585 1173 HD2 -5.4615 25.4446 40.5537 H 75 PHE75 0.0620 1174 CE1 -4.5150 28.6790 42.4206 C.ar 75 PHE75 -0.0615 1175 HE1 -4.2532 29.5816 42.9537 H 75 PHE75 0.0618 1176 CE2 -3.9153 26.5170 41.5600 C.ar 75 PHE75 -0.0615 1177 HE2 -3.1907 25.7311 41.4119 H 75 PHE75 0.0618 1178 CZ -3.5717 27.6757 42.2412 C.ar 75 PHE75 -0.0617 1179 HZ -2.5727 27.7908 42.6315 H 75 PHE75 0.0618 1180 N -8.9580 29.6980 39.5030 N.am 76 SER76 -0.2436 1181 H -9.7570 29.0910 39.6840 H 76 SER76 0.1312 1182 CA -9.1100 31.1450 39.5550 C.3 76 SER76 0.1109 1183 HA -8.2989 31.6204 39.0043 H 76 SER76 0.0580 1184 C -8.9990 31.6150 41.0010 C.2 76 SER76 0.2209 1185 O -8.9490 30.8090 41.9470 O.2 76 SER76 -0.2777 1186 CB -10.4684 31.5598 38.9567 C.3 76 SER76 0.0681 1187 HB1 -10.6988 32.5989 39.2256 H 76 SER76 0.0577 1188 HB2 -10.4067 31.5294 37.8674 H 76 SER76 0.0577 1189 OG -11.4984 30.6680 39.3669 O.3 76 SER76 -0.3930 1190 HG -12.3666 31.0352 39.2186 H 76 SER76 0.2095 1191 N -8.9740 32.9230 41.2430 N.am 77 ARG77 -0.2456 1192 H -8.8990 33.5960 40.4810 H 77 ARG77 0.1312 1193 CA -9.0570 33.3670 42.6330 C.3 77 ARG77 0.0879 1194 HA -8.2903 32.8063 43.1623 H 77 ARG77 0.0557 1195 C -10.4230 33.0600 43.2480 C.2 77 ARG77 0.2185 1196 O -11.4070 33.3100 42.5660 O.2 77 ARG77 -0.2778 1197 CB -8.7002 34.8686 42.6902 C.3 77 ARG77 -0.0258 1198 HB1 -9.5922 35.4956 42.6736 H 77 ARG77 0.0286 1199 HB2 -8.1761 35.1105 41.7648 H 77 ARG77 0.0286 1200 CG -7.7490 35.2809 43.8350 C.3 77 ARG77 -0.0154 1201 HG1 -7.1489 36.1141 43.4689 H 77 ARG77 0.0299 1202 HG2 -7.0313 34.4897 44.0472 H 77 ARG77 0.0299 1203 CD -8.4318 35.7536 45.1300 C.3 77 ARG77 0.1045 1204 HD1 -8.8355 34.9526 45.7472 H 77 ARG77 0.0711 1205 HD2 -9.2741 36.4030 44.8909 H 77 ARG77 0.0711 1206 NE -7.5001 36.5735 45.9129 N.pl3 77 ARG77 -0.4450 1207 HE -7.5448 37.5650 45.8886 H 77 ARG77 0.3153 1208 CZ -6.5194 36.1212 46.6975 C.cat 77 ARG77 0.5062 1209 NH1 -5.7190 36.9827 47.2521 N.pl3 77 ARG77 -0.4573 1210 HH11 -4.9547 36.6153 47.8110 H 77 ARG77 0.3114 1211 HH12 -5.7985 37.9628 47.1575 H 77 ARG77 0.3114 1212 NH2 -6.3129 34.8637 46.9400 N.pl3 77 ARG77 -0.4573 1213 HH21 -5.5406 34.6400 47.5465 H 77 ARG77 0.3114 1214 HH22 -6.8914 34.1391 46.5538 H 77 ARG77 0.3114 1215 N -10.3990 32.5520 44.4590 N.am 78 GLY78 -0.2485 1216 H -9.4810 32.4920 44.9000 H 78 GLY78 0.1309 1217 CA -11.5050 32.0700 45.2400 C.3 78 GLY78 0.0765 1218 HA1 -12.4171 32.5688 44.9133 H 78 GLY78 0.0521 1219 HA2 -11.2960 32.3479 46.2724 H 78 GLY78 0.0521 1220 C -11.6810 30.5670 45.1670 C.2 78 GLY78 0.2155 1221 O -12.5400 30.0630 45.9010 O.2 78 GLY78 -0.2781 1222 N -10.9570 29.8270 44.3320 N.am 79 GLN79 -0.2459 1223 H -10.2490 30.2610 43.7400 H 79 GLN79 0.1312 1224 CA -11.1870 28.3860 44.2730 C.3 79 GLN79 0.0882 1225 HA -12.2556 28.1955 44.3877 H 79 GLN79 0.0557 1226 C -10.4600 27.6780 45.4210 C.2 79 GLN79 0.2187 1227 O -10.9630 26.7060 45.9970 O.2 79 GLN79 -0.2778 1228 CB -10.7119 27.8348 42.9264 C.3 79 GLN79 -0.0210 1229 HB1 -9.6651 28.0996 42.8042 H 79 GLN79 0.0289 1230 HB2 -10.7550 26.7453 42.9657 H 79 GLN79 0.0289 1231 CG -11.5328 28.3731 41.7379 C.3 79 GLN79 0.0225 1232 HG1 -11.1195 29.3206 41.3961 H 79 GLN79 0.0356 1233 HG2 -12.5597 28.5730 42.0436 H 79 GLN79 0.0356 1234 CD -11.5924 27.3775 40.5621 C.2 79 GLN79 0.1981 1235 OE1 -11.1175 27.6208 39.4595 O.2 79 GLN79 -0.2798 1236 NE2 -12.2200 26.2325 40.8699 N.am 79 GLN79 -0.2724 1237 HE21 -12.3243 25.5157 40.1831 H 79 GLN79 0.1266 1238 HE22 -12.5870 26.0880 41.7887 H 79 GLN79 0.1266 1239 N -9.2710 28.1780 45.7370 N.am 80 MET80 -0.2456 1240 H -8.9420 28.9980 45.2280 H 80 MET80 0.1312 1241 CA -8.4140 27.6220 46.7660 C.3 80 MET80 0.0885 1242 HA -8.7412 26.6090 47.0038 H 80 MET80 0.0557 1243 C -8.4370 28.4680 48.0390 C.2 80 MET80 0.2187 1244 O -9.0050 29.5500 47.9930 O.2 80 MET80 -0.2778 1245 CB -6.9706 27.6200 46.2191 C.3 80 MET80 -0.0199 1246 HB1 -6.2742 27.2665 46.9805 H 80 MET80 0.0293 1247 HB2 -6.6755 28.6463 45.9923 H 80 MET80 0.0293 1248 CG -6.7764 26.7760 44.9534 C.3 80 MET80 -0.0047 1249 HG1 -7.4151 27.1283 44.1429 H 80 MET80 0.0377 1250 HG2 -5.7476 26.8972 44.6137 H 80 MET80 0.0377 1251 SD -7.0503 25.0198 45.2689 S.3 80 MET80 -0.1641 1252 CE -8.3967 24.7352 44.1067 C.3 80 MET80 -0.0181 1253 HE1 -8.6402 23.6743 44.0570 H 80 MET80 0.0340 1254 HE2 -8.1082 25.0744 43.1117 H 80 MET80 0.0340 1255 HE3 -9.2790 25.2986 44.4073 H 80 MET80 0.0340 1256 N -7.8340 27.9460 49.1100 N.am 81 GLN81 -0.2456 1257 H -7.4820 26.9920 49.0270 H 81 GLN81 0.1312 1258 CA -7.6350 28.6170 50.3840 C.3 81 GLN81 0.0882 1259 HA -8.6203 28.9355 50.7280 H 81 GLN81 0.0557 1260 C -6.7520 29.8360 50.2130 C.2 81 GLN81 0.2187 1261 O -5.7850 29.7850 49.4520 O.2 81 GLN81 -0.2778 1262 CB -6.9913 27.6535 51.3653 C.3 81 GLN81 -0.0210 1263 CG -7.9646 26.5332 51.7164 C.3 81 GLN81 0.0225 1264 CD -7.3506 25.5687 52.7210 C.2 81 GLN81 0.1981 1265 OE1 -6.2050 25.7411 53.1313 O.2 81 GLN81 -0.2798 1266 NE2 -8.1171 24.5500 53.1171 N.am 81 GLN81 -0.2724 1267 HB2 -6.0962 27.2248 50.9146 H 81 GLN81 0.0289 1268 HB3 -6.7168 28.1914 52.2727 H 81 GLN81 0.0289 1269 HG2 -8.8672 26.9677 52.1462 H 81 GLN81 0.0356 1270 HG3 -8.2260 25.9880 50.8095 H 81 GLN81 0.0356 1271 HE21 -9.0532 24.4503 52.7512 H 81 GLN81 0.1266 1272 HE22 -7.7609 23.8790 53.7826 H 81 GLN81 0.1266 1273 N -7.0460 30.9500 50.8820 N.am 82 LYS82 -0.2456 1274 H -7.7260 30.9400 51.6420 H 82 LYS82 0.1312 1275 CA -6.3710 32.1830 50.4990 C.3 82 LYS82 0.0880 1276 HA -6.5850 32.3087 49.4339 H 82 LYS82 0.0557 1277 C -4.8570 32.1540 50.6100 C.2 82 LYS82 0.2213 1278 O -4.1990 32.5880 49.6420 O.2 82 LYS82 -0.2776 1279 CB -6.9766 33.3546 51.2240 C.3 82 LYS82 -0.0289 1280 CG -6.3963 34.6404 50.6449 C.3 82 LYS82 -0.0496 1281 CD -7.0028 35.8408 51.3639 C.3 82 LYS82 -0.0278 1282 CE -6.4965 37.1275 50.7208 C.3 82 LYS82 0.1103 1283 NZ -5.0573 37.2728 50.9825 N.4 82 LYS82 -0.0749 1284 HB2 -8.0586 33.3483 51.0917 H 82 LYS82 0.0285 1285 HB3 -6.7376 33.2910 52.2856 H 82 LYS82 0.0285 1286 HG2 -5.3148 34.6442 50.7806 H 82 LYS82 0.0266 1287 HG3 -6.6294 34.6978 49.5817 H 82 LYS82 0.0266 1288 HD2 -8.0893 35.7994 51.2870 H 82 LYS82 0.0282 1289 HD3 -6.7118 35.8205 52.4141 H 82 LYS82 0.0282 1290 HE2 -6.6678 37.0878 49.6451 H 82 LYS82 0.0559 1291 HE3 -7.0303 37.9791 51.1426 H 82 LYS82 0.0559 1292 HZ1 -4.5333 36.8574 50.2256 H 82 LYS82 0.2742 1293 HZ2 -4.8255 38.2532 51.0538 H 82 LYS82 0.2742 1294 HZ3 -4.8239 36.8079 51.8483 H 82 LYS82 0.2742 1295 N -4.2400 31.7430 51.6940 N.am 83 PRO83 -0.2316 1296 CA -2.7670 31.7120 51.7110 C.3 83 PRO83 0.0907 1297 HA -2.4241 32.7449 51.6246 H 83 PRO83 0.0559 1298 C -2.1590 30.8700 50.5980 C.2 83 PRO83 0.2189 1299 O -1.1050 31.2170 50.0300 O.2 83 PRO83 -0.2778 1300 CB -2.4504 31.1184 53.0937 C.3 83 PRO83 -0.0276 1301 HB1 -1.5625 31.5642 53.5425 H 83 PRO83 0.0285 1302 HB2 -2.2786 30.0429 53.0295 H 83 PRO83 0.0285 1303 CG -3.7089 31.3510 53.9284 C.3 83 PRO83 -0.0379 1304 HG1 -3.6711 32.3498 54.3648 H 83 PRO83 0.0278 1305 HG2 -3.8156 30.6352 54.7436 H 83 PRO83 0.0278 1306 CD -4.8625 31.2828 52.9287 C.3 83 PRO83 0.0071 1307 HD1 -5.2010 30.2596 52.7602 H 83 PRO83 0.0431 1308 HD2 -5.6942 31.9198 53.2165 H 83 PRO83 0.0431 1309 N -2.7690 29.7520 50.2100 N.am 84 PHE84 -0.2453 1310 H -3.5930 29.4130 50.7060 H 84 PHE84 0.1312 1311 CA -2.2350 29.0140 49.0550 C.3 84 PHE84 0.0917 1312 HA -1.1725 28.8381 49.2331 H 84 PHE84 0.0560 1313 C -2.3920 29.8300 47.7750 C.2 84 PHE84 0.2190 1314 O -1.4630 29.9500 46.9800 O.2 84 PHE84 -0.2778 1315 CB -2.9892 27.6760 48.9548 C.3 84 PHE84 -0.0036 1316 HB1 -4.0392 27.8416 48.7061 H 84 PHE84 0.0333 1317 HB2 -2.9878 27.1856 49.9286 H 84 PHE84 0.0333 1318 CG -2.3760 26.7385 47.9470 C.ar 84 PHE84 -0.0454 1319 CD1 -2.7673 26.7811 46.6113 C.ar 84 PHE84 -0.0585 1320 HD1 -3.5169 27.4898 46.2872 H 84 PHE84 0.0620 1321 CD2 -1.4105 25.8148 48.3387 C.ar 84 PHE84 -0.0585 1322 HD2 -1.0964 25.7627 49.3711 H 84 PHE84 0.0620 1323 CE1 -2.1870 25.9320 45.6788 C.ar 84 PHE84 -0.0615 1324 HE1 -2.4876 25.9844 44.6422 H 84 PHE84 0.0618 1325 CE2 -0.8399 24.9539 47.4100 C.ar 84 PHE84 -0.0615 1326 HE2 -0.0921 24.2390 47.7216 H 84 PHE84 0.0618 1327 CZ -1.2182 25.0222 46.0769 C.ar 84 PHE84 -0.0617 1328 HZ -0.7659 24.3657 45.3491 H 84 PHE84 0.0618 1329 N -3.5980 30.3500 47.5380 N.am 85 GLU85 -0.2456 1330 H -4.3170 30.2490 48.2550 H 85 GLU85 0.1312 1331 CA -3.9450 31.0560 46.3090 C.3 85 GLU85 0.0883 1332 HA -3.8317 30.3444 45.4899 H 85 GLU85 0.0557 1333 C -2.9520 32.1820 46.1500 C.2 85 GLU85 0.2187 1334 O -2.4020 32.4950 45.1010 O.2 85 GLU85 -0.2778 1335 CB -5.3707 31.4976 46.4802 C.3 85 GLU85 -0.0193 1336 HB1 -5.9273 30.6556 46.8993 H 85 GLU85 0.0290 1337 HB2 -5.4552 32.3019 47.2120 H 85 GLU85 0.0290 1338 CG -5.9635 31.8907 45.1426 C.3 85 GLU85 0.0356 1339 HG1 -5.6191 32.8715 44.8211 H 85 GLU85 0.0374 1340 HG2 -5.7248 31.1672 44.3627 H 85 GLU85 0.0374 1341 CD -7.4507 31.9041 45.3623 C.2 85 GLU85 0.1760 1342 OE1 -7.9316 32.8486 45.9773 O.co2 85 GLU85 -0.6478 1343 OE2 -8.1112 30.9728 44.9223 O.co2 85 GLU85 -0.6478 1344 N -2.7010 32.8630 47.2770 N.am 86 ASP86 -0.2451 1345 H -3.1100 32.5720 48.1650 H 86 ASP86 0.1312 1346 CA -1.8280 34.0310 47.2010 C.3 86 ASP86 0.0974 1347 HA -2.2050 34.6474 46.3803 H 86 ASP86 0.0563 1348 C -0.4410 33.5870 46.7610 C.2 86 ASP86 0.2192 1349 O 0.0720 34.1720 45.8480 O.2 86 ASP86 -0.2778 1350 CB -1.8838 34.8622 48.4897 C.3 86 ASP86 0.0576 1351 HB1 -1.0300 35.5355 48.5622 H 86 ASP86 0.0394 1352 HB2 -1.8867 34.2268 49.3746 H 86 ASP86 0.0394 1353 CG -3.1664 35.7169 48.4602 C.2 86 ASP86 0.1780 1354 OD1 -4.2411 35.2109 48.7497 O.co2 86 ASP86 -0.6478 1355 OD2 -3.1079 36.8964 48.1311 O.co2 86 ASP86 -0.6478 1356 N 0.1350 32.5970 47.4420 N.am 87 ALA87 -0.2459 1357 H -0.3750 32.1610 48.2100 H 87 ALA87 0.1312 1358 CA 1.4850 32.1150 47.1170 C.3 87 ALA87 0.0850 1359 HA 2.1730 32.9447 47.2839 H 87 ALA87 0.0554 1360 C 1.5550 31.7070 45.6620 C.2 87 ALA87 0.2185 1361 O 2.5590 31.9380 44.9760 O.2 87 ALA87 -0.2778 1362 CB 1.8171 30.9271 48.0297 C.3 87 ALA87 -0.0411 1363 HB1 2.8193 30.5441 47.8355 H 87 ALA87 0.0249 1364 HB2 1.1099 30.1081 47.8903 H 87 ALA87 0.0249 1365 HB3 1.7717 31.2214 49.0782 H 87 ALA87 0.0249 1366 N 0.4760 31.0960 45.1730 N.am 88 SER88 -0.2436 1367 H -0.3470 30.9870 45.7650 H 88 SER88 0.1312 1368 CA 0.4490 30.5840 43.8180 C.3 88 SER88 0.1109 1369 HA 1.3349 29.9643 43.6720 H 88 SER88 0.0580 1370 C 0.4670 31.7280 42.8020 C.2 88 SER88 0.2209 1371 O 1.2230 31.7320 41.8240 O.2 88 SER88 -0.2777 1372 CB -0.8297 29.7557 43.6168 C.3 88 SER88 0.0681 1373 HB1 -1.7324 30.3453 43.8194 H 88 SER88 0.0577 1374 HB2 -0.9124 29.4474 42.5737 H 88 SER88 0.0577 1375 OG -0.8190 28.5778 44.4051 O.3 88 SER88 -0.3930 1376 HG -0.8509 28.8134 45.3304 H 88 SER88 0.2095 1377 N -0.4040 32.7180 43.0140 N.am 89 PHE89 -0.2453 1378 H -1.0000 32.7270 43.8420 H 89 PHE89 0.1312 1379 CA -0.4740 33.7800 42.0270 C.3 89 PHE89 0.0917 1380 HA -0.5198 33.3255 41.0353 H 89 PHE89 0.0560 1381 C 0.7770 34.6540 42.0790 C.2 89 PHE89 0.2190 1382 O 1.0100 35.4260 41.1550 O.2 89 PHE89 -0.2778 1383 CB -1.7427 34.6276 42.2731 C.3 89 PHE89 -0.0036 1384 HB1 -1.9270 34.7276 43.3446 H 89 PHE89 0.0333 1385 HB2 -1.6027 35.6439 41.9022 H 89 PHE89 0.0333 1386 CG -2.9740 34.0786 41.5875 C.ar 89 PHE89 -0.0454 1387 CD1 -3.9289 33.3494 42.2916 C.ar 89 PHE89 -0.0585 1388 HD1 -3.7934 33.1483 43.3410 H 89 PHE89 0.0620 1389 CD2 -3.2081 34.3514 40.2417 C.ar 89 PHE89 -0.0585 1390 HD2 -2.4857 34.9214 39.6772 H 89 PHE89 0.0620 1391 CE1 -5.0810 32.8876 41.6661 C.ar 89 PHE89 -0.0615 1392 HE1 -5.8118 32.3195 42.2258 H 89 PHE89 0.0618 1393 CE2 -4.3652 33.9018 39.6141 C.ar 89 PHE89 -0.0615 1394 HE2 -4.5334 34.1129 38.5678 H 89 PHE89 0.0618 1395 CZ -5.2994 33.1619 40.3244 C.ar 89 PHE89 -0.0617 1396 HZ -6.1919 32.7962 39.8379 H 89 PHE89 0.0618 1397 N 1.5700 34.5900 43.1390 N.am 90 ALA90 -0.2459 1398 H 1.3270 33.9420 43.8880 H 90 ALA90 0.1312 1399 CA 2.7720 35.4000 43.2870 C.3 90 ALA90 0.0850 1400 HA 2.5963 36.3679 42.8157 H 90 ALA90 0.0554 1401 C 3.9920 34.7600 42.6420 C.2 90 ALA90 0.2184 1402 O 5.0830 35.3080 42.5100 O.2 90 ALA90 -0.2778 1403 CB 3.0166 35.5901 44.7885 C.3 90 ALA90 -0.0411 1404 HB1 3.8861 36.2202 44.9769 H 90 ALA90 0.0249 1405 HB2 3.1775 34.6335 45.2878 H 90 ALA90 0.0249 1406 HB3 2.1560 36.0631 45.2624 H 90 ALA90 0.0249 1407 N 3.8690 33.5060 42.2300 N.am 91 LEU91 -0.2457 1408 H 3.0360 32.9670 42.4670 H 91 LEU91 0.1312 1409 CA 4.9500 32.8930 41.4220 C.3 91 LEU91 0.0880 1410 HA 5.9149 33.1905 41.8280 H 91 LEU91 0.0557 1411 C 4.8290 33.3210 39.9710 C.2 91 LEU91 0.2187 1412 O 3.7050 33.4720 39.4590 O.2 91 LEU91 -0.2778 1413 CB 4.7806 31.3574 41.4563 C.3 91 LEU91 -0.0266 1414 HB1 5.4305 30.8856 40.7171 H 91 LEU91 0.0287 1415 HB2 3.7616 31.1201 41.1470 H 91 LEU91 0.0287 1416 CG 5.0501 30.6984 42.8208 C.3 91 LEU91 -0.0449 1417 HG 4.5083 31.2503 43.5877 H 91 LEU91 0.0296 1418 CD1 4.5308 29.2520 42.8340 C.3 91 LEU91 -0.0626 1419 HD11 4.6928 28.7814 43.8033 H 91 LEU91 0.0232 1420 HD12 5.0369 28.6444 42.0831 H 91 LEU91 0.0232 1421 HD13 3.4612 29.2155 42.6258 H 91 LEU91 0.0232 1422 CD2 6.5430 30.7274 43.1730 C.3 91 LEU91 -0.0626 1423 HD21 6.7270 30.2686 44.1427 H 91 LEU91 0.0232 1424 HD22 6.9253 31.7463 43.2193 H 91 LEU91 0.0232 1425 HD23 7.1290 30.1837 42.4324 H 91 LEU91 0.0232 1426 N 5.9840 33.4650 39.3010 N.am 92 ARG92 -0.2457 1427 H 6.8620 33.4740 39.8200 H 92 ARG92 0.1312 1428 CA 6.0130 33.6080 37.8550 C.3 92 ARG92 0.0879 1429 HA 5.1943 34.2546 37.5371 H 92 ARG92 0.0557 1430 C 5.8520 32.2150 37.2490 C.2 92 ARG92 0.2187 1431 O 6.0620 31.1910 37.9170 O.2 92 ARG92 -0.2778 1432 CB 7.3881 34.2069 37.5144 C.3 92 ARG92 -0.0258 1433 HB1 7.5736 34.1575 36.4403 H 92 ARG92 0.0286 1434 HB2 8.1569 33.5820 37.9742 H 92 ARG92 0.0286 1435 CG 7.5431 35.6678 37.9894 C.3 92 ARG92 -0.0154 1436 HG1 6.7531 35.9344 38.6923 H 92 ARG92 0.0299 1437 HG2 7.4039 36.3266 37.1322 H 92 ARG92 0.0299 1438 CD 8.9027 35.9656 38.6430 C.3 92 ARG92 0.1045 1439 HD1 9.1152 37.0352 38.6794 H 92 ARG92 0.0711 1440 HD2 9.7194 35.4930 38.0928 H 92 ARG92 0.0711 1441 NE 8.9405 35.4338 40.0010 N.pl3 92 ARG92 -0.4450 1442 HE 9.2697 34.5051 40.2315 H 92 ARG92 0.3153 1443 CZ 8.5542 36.0376 41.1173 C.cat 92 ARG92 0.5062 1444 NH1 8.0569 37.2431 41.1096 N.pl3 92 ARG92 -0.4573 1445 HH11 7.7581 37.6464 41.9682 H 92 ARG92 0.3114 1446 HH12 7.9841 37.7275 40.2470 H 92 ARG92 0.3114 1447 NH2 8.6743 35.4075 42.2446 N.pl3 92 ARG92 -0.4573 1448 HH21 8.4467 35.7851 43.1306 H 92 ARG92 0.3114 1449 HH22 9.0167 34.4561 42.1622 H 92 ARG92 0.3114 1450 N 5.4630 32.1300 35.9960 N.am 93 THR93 -0.2434 1451 H 5.2840 32.9730 35.4510 H 93 THR93 0.1313 1452 CA 5.2900 30.8050 35.3950 C.3 93 THR93 0.1135 1453 HA 4.5911 30.2730 36.0452 H 93 THR93 0.0583 1454 C 6.6200 30.0750 35.4220 C.2 93 THR93 0.2210 1455 O 7.6650 30.6120 35.0770 O.2 93 THR93 -0.2777 1456 CB 4.6541 30.8984 33.9988 C.3 93 THR93 0.0763 1457 HB 5.3998 31.2706 33.2897 H 93 THR93 0.0611 1458 OG1 3.6052 31.8544 34.0828 O.3 93 THR93 -0.3900 1459 HG1 3.0005 31.7429 33.3527 H 93 THR93 0.2098 1460 CG2 4.1402 29.5158 33.5465 C.3 93 THR93 -0.0370 1461 HG21 3.7134 29.5352 32.5431 H 93 THR93 0.0255 1462 HG22 3.3739 29.1495 34.2299 H 93 THR93 0.0255 1463 HG23 4.9427 28.7789 33.5323 H 93 THR93 0.0255 1464 N 6.5780 28.8150 35.8680 N.am 94 GLY94 -0.2484 1465 H 5.6910 28.4320 36.1940 H 94 GLY94 0.1309 1466 CA 7.7600 27.9820 35.9000 C.3 94 GLY94 0.0765 1467 HA1 8.4215 28.2399 35.0717 H 94 GLY94 0.0521 1468 HA2 7.4230 26.9543 35.7678 H 94 GLY94 0.0521 1469 C 8.5070 28.0910 37.2240 C.2 94 GLY94 0.2155 1470 O 9.4410 27.3300 37.4480 O.2 94 GLY94 -0.2781 1471 N 8.1160 28.9700 38.1250 N.am 95 GLU95 -0.2459 1472 H 7.2870 29.5350 37.9410 H 95 GLU95 0.1312 1473 CA 8.8410 29.1570 39.3830 C.3 95 GLU95 0.0883 1474 HA 9.8978 28.9486 39.2052 H 95 GLU95 0.0557 1475 C 8.2990 28.2120 40.4520 C.2 95 GLU95 0.2187 1476 O 7.0970 27.9080 40.5050 O.2 95 GLU95 -0.2778 1477 CB 8.6697 30.6193 39.7912 C.3 95 GLU95 -0.0193 1478 HB1 7.6241 30.8060 40.0396 H 95 GLU95 0.0290 1479 HB2 8.8822 31.2491 38.9258 H 95 GLU95 0.0290 1480 CG 9.5835 31.0469 40.9518 C.3 95 GLU95 0.0356 1481 HG1 10.6307 30.8787 40.7026 H 95 GLU95 0.0374 1482 HG2 9.3655 30.4892 41.8611 H 95 GLU95 0.0374 1483 CD 9.3717 32.5322 41.2435 C.2 95 GLU95 0.1760 1484 OE1 8.2372 32.9781 41.2489 O.co2 95 GLU95 -0.6478 1485 OE2 10.3233 33.2707 41.4587 O.co2 95 GLU95 -0.6478 1486 N 9.2110 27.7510 41.2950 N.am 96 MET96 -0.2456 1487 H 10.1920 27.9560 41.1050 H 96 MET96 0.1312 1488 CA 8.8870 26.9700 42.4740 C.3 96 MET96 0.0886 1489 HA 7.8526 26.6390 42.4019 H 96 MET96 0.0557 1490 C 9.0730 27.7620 43.7680 C.2 96 MET96 0.2188 1491 O 10.0620 28.4860 43.9790 O.2 96 MET96 -0.2778 1492 CB 9.8307 25.7560 42.4587 C.3 96 MET96 -0.0199 1493 HB1 10.8629 26.1074 42.4456 H 96 MET96 0.0293 1494 HB2 9.6891 25.2173 41.5214 H 96 MET96 0.0293 1495 CG 9.6526 24.7709 43.6217 C.3 96 MET96 -0.0047 1496 HG1 8.6469 24.3506 43.6039 H 96 MET96 0.0377 1497 HG2 9.7821 25.2891 44.5701 H 96 MET96 0.0377 1498 SD 10.8758 23.4490 43.4725 S.3 96 MET96 -0.1641 1499 CE 11.3274 23.1830 45.1992 C.3 96 MET96 -0.0181 1500 HE1 12.4073 23.2457 45.3097 H 96 MET96 0.0340 1501 HE2 11.0452 22.1779 45.5076 H 96 MET96 0.0340 1502 HE3 10.8649 23.9108 45.8648 H 96 MET96 0.0340 1503 N 8.1070 27.6290 44.6670 N.am 97 SER97 -0.2436 1504 H 7.3370 26.9860 44.4780 H 97 SER97 0.1312 1505 CA 8.1170 28.3780 45.9190 C.3 97 SER97 0.1109 1506 HA 8.4491 29.3922 45.6889 H 97 SER97 0.0580 1507 C 9.0920 27.7500 46.9090 C.2 97 SER97 0.2207 1508 O 9.5220 26.6120 46.7150 O.2 97 SER97 -0.2777 1509 CB 6.7080 28.4355 46.5261 C.3 97 SER97 0.0681 1510 HB1 6.6978 29.1538 47.3543 H 97 SER97 0.0577 1511 HB2 5.9967 28.7855 45.7716 H 97 SER97 0.0577 1512 OG 6.3310 27.1486 46.9876 O.3 97 SER97 -0.3930 1513 HG 5.4902 27.1666 47.4348 H 97 SER97 0.2095 1514 N 9.4270 28.5080 47.9380 N.am 98 GLY98 -0.2484 1515 H 9.2590 29.5130 47.8970 H 98 GLY98 0.1309 1516 CA 10.0320 27.9300 49.1280 C.3 98 GLY98 0.0767 1517 HA1 10.4852 28.7450 49.6917 H 98 GLY98 0.0521 1518 HA2 10.7968 27.2084 48.8394 H 98 GLY98 0.0521 1519 C 8.9400 27.2580 49.9640 C.2 98 GLY98 0.2182 1520 O 7.8100 27.0780 49.4900 O.2 98 GLY98 -0.2779 1521 N 9.2020 26.8740 51.2030 N.am 99 PRO99 -0.2318 1522 CA 8.1320 26.3600 52.0630 C.3 99 PRO99 0.0907 1523 HA 7.7477 25.4515 51.5955 H 99 PRO99 0.0559 1524 C 7.0350 27.3950 52.2420 C.2 99 PRO99 0.2189 1525 O 7.2630 28.5710 52.4940 O.2 99 PRO99 -0.2778 1526 CB 8.8653 26.0537 53.3801 C.3 99 PRO99 -0.0276 1527 HB1 8.4919 25.1521 53.8660 H 99 PRO99 0.0285 1528 HB2 8.7543 26.8745 54.0894 H 99 PRO99 0.0285 1529 CG 10.3438 25.9439 53.0023 C.3 99 PRO99 -0.0379 1530 HG1 10.5592 24.9249 52.6798 H 99 PRO99 0.0278 1531 HG2 11.0111 26.1723 53.8337 H 99 PRO99 0.0278 1532 CD 10.5197 26.9001 51.8212 C.3 99 PRO99 0.0071 1533 HD1 10.7082 27.9260 52.1414 H 99 PRO99 0.0431 1534 HD2 11.2819 26.5665 51.1165 H 99 PRO99 0.0431 1535 N 5.7980 26.9360 52.0750 N.am 100 VAL100 -0.2454 1536 H 5.6810 25.9570 51.8150 H 100 VAL100 0.1312 1537 CA 4.6040 27.7480 52.2420 C.3 100 VAL100 0.0901 1538 HA 4.8981 28.7541 52.5481 H 100 VAL100 0.0560 1539 C 3.8070 27.1350 53.3810 C.2 100 VAL100 0.2189 1540 O 3.4090 25.9890 53.2900 O.2 100 VAL100 -0.2778 1541 CB 3.8428 27.8339 50.9008 C.3 100 VAL100 -0.0227 1542 HB 3.7551 26.8266 50.4936 H 100 VAL100 0.0315 1543 CG1 2.4261 28.4101 51.0433 C.3 100 VAL100 -0.0608 1544 HG11 1.7966 27.7576 51.6416 H 100 VAL100 0.0233 1545 HG12 1.9446 28.5161 50.0705 H 100 VAL100 0.0233 1546 HG13 2.4424 29.3926 51.5155 H 100 VAL100 0.0233 1547 CG2 4.6306 28.6833 49.8937 C.3 100 VAL100 -0.0608 1548 HG21 5.6296 28.2841 49.7280 H 100 VAL100 0.0233 1549 HG22 4.7456 29.7064 50.2522 H 100 VAL100 0.0233 1550 HG23 4.1173 28.7303 48.9338 H 100 VAL100 0.0233 1551 N 3.6260 27.9100 54.4330 N.am 101 PHE101 -0.2453 1552 H 3.9670 28.8710 54.3980 H 101 PHE101 0.1312 1553 CA 2.9640 27.4510 55.6330 C.3 101 PHE101 0.0917 1554 HA 3.0574 26.3640 55.6991 H 101 PHE101 0.0560 1555 C 1.4770 27.8360 55.5590 C.2 101 PHE101 0.2191 1556 O 1.1950 29.0370 55.4630 O.2 101 PHE101 -0.2778 1557 CB 3.6409 28.1024 56.8517 C.3 101 PHE101 -0.0036 1558 HB1 3.1464 27.7854 57.7711 H 101 PHE101 0.0333 1559 HB2 3.5408 29.1879 56.8068 H 101 PHE101 0.0333 1560 CG 5.1070 27.7556 56.9374 C.ar 101 PHE101 -0.0454 1561 CD1 6.0567 28.5054 56.2468 C.ar 101 PHE101 -0.0585 1562 HD1 5.7494 29.3463 55.6426 H 101 PHE101 0.0620 1563 CD2 5.5362 26.6819 57.7118 C.ar 101 PHE101 -0.0585 1564 HD2 4.8203 26.0951 58.2664 H 101 PHE101 0.0620 1565 CE1 7.4036 28.1751 56.3099 C.ar 101 PHE101 -0.0615 1566 HE1 8.1275 28.7569 55.7582 H 101 PHE101 0.0618 1567 CE2 6.8841 26.3549 57.7859 C.ar 101 PHE101 -0.0615 1568 HE2 7.2066 25.5232 58.3959 H 101 PHE101 0.0618 1569 CZ 7.8187 27.0985 57.0798 C.ar 101 PHE101 -0.0617 1570 HZ 8.8670 26.8433 57.1340 H 101 PHE101 0.0618 1571 N 0.6230 26.8320 55.6310 N.am 102 THR102 -0.2434 1572 H 0.9910 25.8840 55.7160 H 102 THR102 0.1313 1573 CA -0.8200 27.0180 55.5950 C.3 102 THR102 0.1135 1574 HA -1.0436 28.0694 55.7841 H 102 THR102 0.0583 1575 C -1.5270 26.1880 56.6680 C.2 102 THR102 0.2212 1576 O -0.8790 25.4090 57.3650 O.2 102 THR102 -0.2777 1577 CB -1.3703 26.5850 54.2166 C.3 102 THR102 0.0763 1578 HB -2.4145 26.8971 54.1485 H 102 THR102 0.0611 1579 OG1 -1.3718 25.1775 54.0758 O.3 102 THR102 -0.3900 1580 HG1 -0.5178 24.8421 54.3313 H 102 THR102 0.2098 1581 CG2 -0.6304 27.2272 53.0373 C.3 102 THR102 -0.0370 1582 HG21 -0.6439 28.3147 53.1072 H 102 THR102 0.0255 1583 HG22 -1.0890 26.9458 52.0890 H 102 THR102 0.0255 1584 HG23 0.4096 26.9103 53.0077 H 102 THR102 0.0255 1585 N -2.8490 26.3440 56.7760 N.am 103 ASP103 -0.2450 1586 H -3.3100 27.0450 56.1960 H 103 ASP103 0.1312 1587 CA -3.6640 25.5440 57.6980 C.3 103 ASP103 0.0974 1588 HA -3.2293 25.6058 58.6970 H 103 ASP103 0.0563 1589 C -3.6940 24.0950 57.2340 C.2 103 ASP103 0.2193 1590 O -4.1990 23.2100 57.9580 O.2 103 ASP103 -0.2778 1591 CB -5.0722 26.1757 57.6445 C.3 103 ASP103 0.0576 1592 HB1 -4.9946 27.2421 57.8510 H 103 ASP103 0.0394 1593 HB2 -5.4870 26.0862 56.6406 H 103 ASP103 0.0394 1594 CG -6.1107 25.6212 58.6286 C.2 103 ASP103 0.1780 1595 OD1 -7.2862 25.9382 58.4984 O.co2 103 ASP103 -0.6478 1596 OD2 -5.7759 24.8778 59.5362 O.co2 103 ASP103 -0.6478 1597 N -3.2160 23.8040 56.0250 N.am 104 SER104 -0.2436 1598 H -2.8550 24.5430 55.4210 H 104 SER104 0.1312 1599 CA -3.2150 22.4130 55.5740 C.3 104 SER104 0.1109 1600 HA -4.0070 21.8578 56.0801 H 104 SER104 0.0580 1601 C -1.9130 21.6890 55.8250 C.2 104 SER104 0.2207 1602 O -1.8870 20.4420 55.7620 O.2 104 SER104 -0.2777 1603 CB -3.5072 22.3953 54.0658 C.3 104 SER104 0.0681 1604 HB1 -2.7782 22.9911 53.5073 H 104 SER104 0.0577 1605 HB2 -3.4366 21.3786 53.6740 H 104 SER104 0.0577 1606 OG -4.8160 22.8489 53.7800 O.3 104 SER104 -0.3930 1607 HG -4.9651 23.6966 54.1901 H 104 SER104 0.2095 1608 N -0.8320 22.4260 56.0920 N.am 105 GLY105 -0.2484 1609 H -0.9380 23.4400 56.1150 H 105 GLY105 0.1309 1610 CA 0.4830 21.8750 56.3510 C.3 105 GLY105 0.0765 1611 HA1 0.5736 20.8912 55.8932 H 105 GLY105 0.0521 1612 HA2 0.5978 21.7953 57.4306 H 105 GLY105 0.0521 1613 C 1.5570 22.7980 55.8110 C.2 105 GLY105 0.2155 1614 O 1.5150 24.0380 55.9930 O.2 105 GLY105 -0.2781 1615 N 2.5500 22.1760 55.1780 N.am 106 ILE106 -0.2456 1616 H 2.5790 21.1580 55.1270 H 106 ILE106 0.1312 1617 CA 3.5900 22.9790 54.5630 C.3 106 ILE106 0.0903 1618 HA 3.3159 24.0324 54.5680 H 106 ILE106 0.0560 1619 C 3.6840 22.5150 53.1140 C.2 106 ILE106 0.2189 1620 O 3.7060 21.2990 52.8540 O.2 106 ILE106 -0.2778 1621 CB 4.9423 22.7909 55.2846 C.3 106 ILE106 -0.0201 1622 HB 5.2244 21.7408 55.1936 H 106 ILE106 0.0318 1623 CG1 4.8352 23.1015 56.7907 C.3 106 ILE106 -0.0514 1624 HG11 4.0451 22.5028 57.2434 H 106 ILE106 0.0266 1625 HG12 4.5464 24.1420 56.9334 H 106 ILE106 0.0266 1626 CG2 6.0420 23.6514 54.6242 C.3 106 ILE106 -0.0605 1627 HG21 7.0217 23.4637 55.0619 H 106 ILE106 0.0233 1628 HG22 5.8266 24.7155 54.7304 H 106 ILE106 0.0233 1629 HG23 6.1417 23.4410 53.5595 H 106 ILE106 0.0233 1630 CD1 6.1315 22.8035 57.5503 C.3 106 ILE106 -0.0650 1631 HD11 6.0166 22.9597 58.6208 H 106 ILE106 0.0230 1632 HD12 6.9531 23.4372 57.2222 H 106 ILE106 0.0230 1633 HD13 6.4263 21.7686 57.3957 H 106 ILE106 0.0230 1634 N 3.7190 23.4560 52.1710 N.am 107 HIS107 -0.2453 1635 H 3.7340 24.4370 52.4490 H 107 HIS107 0.1312 1636 CA 3.7360 23.1230 50.7620 C.3 107 HIS107 0.0932 1637 HA 3.6347 22.0464 50.6463 H 107 HIS107 0.0561 1638 C 4.9910 23.5820 50.0270 C.2 107 HIS107 0.2190 1639 O 5.5970 24.5710 50.4300 O.2 107 HIS107 -0.2778 1640 CB 2.5752 23.8255 50.0290 C.3 107 HIS107 0.0146 1641 HB1 2.6991 24.9080 50.0577 H 107 HIS107 0.0348 1642 HB2 2.5539 23.5428 48.9745 H 107 HIS107 0.0348 1643 CG 1.2266 23.5063 50.6256 C.ar 107 HIS107 0.0551 1644 ND1 0.2965 22.7429 50.0149 N.ar 107 HIS107 -0.2469 1645 CD2 0.6252 24.1272 51.7289 C.ar 107 HIS107 0.0047 1646 HD2 1.1159 24.8387 52.3757 H 107 HIS107 0.0764 1647 CE1 -0.8368 22.9002 50.7168 C.ar 107 HIS107 0.0737 1648 HE1 -1.7717 22.4211 50.4630 H 107 HIS107 0.0963 1649 NE2 -0.6636 23.7178 51.7701 N.ar 107 HIS107 -0.2539 1650 HE2 -1.3470 23.9945 52.4158 H 107 HIS107 0.1339 1651 N 5.2880 22.8700 48.9590 N.am 108 ILE108 -0.2454 1652 H 4.9080 21.9270 48.8710 H 108 ILE108 0.1312 1653 CA 6.1540 23.3960 47.8870 C.3 108 ILE108 0.0903 1654 HA 6.5480 24.3712 48.1853 H 108 ILE108 0.0560 1655 C 5.2080 23.5590 46.7070 C.2 108 ILE108 0.2189 1656 O 4.4560 22.6200 46.4070 O.2 108 ILE108 -0.2778 1657 CB 7.2917 22.4137 47.5430 C.3 108 ILE108 -0.0201 1658 HB 6.8706 21.5845 46.9706 H 108 ILE108 0.0318 1659 CG1 7.9634 21.8056 48.7880 C.3 108 ILE108 -0.0514 1660 HG11 8.4744 22.5931 49.3417 H 108 ILE108 0.0266 1661 HG12 7.2139 21.3902 49.4589 H 108 ILE108 0.0266 1662 CG2 8.3340 23.1339 46.6795 C.3 108 ILE108 -0.0605 1663 HG21 8.9955 22.4118 46.2084 H 108 ILE108 0.0233 1664 HG22 8.9357 23.8175 47.2796 H 108 ILE108 0.0233 1665 HG23 7.8713 23.7278 45.8921 H 108 ILE108 0.0233 1666 CD1 8.9406 20.6701 48.4609 C.3 108 ILE108 -0.0650 1667 HD11 9.3818 20.2775 49.3769 H 108 ILE108 0.0230 1668 HD12 9.7540 21.0016 47.8167 H 108 ILE108 0.0230 1669 HD13 8.4309 19.8473 47.9594 H 108 ILE108 0.0230 1670 N 5.1970 24.7210 46.0620 N.am 109 ILE109 -0.2454 1671 H 5.8390 25.4620 46.3420 H 109 ILE109 0.1312 1672 CA 4.2700 24.9430 44.9540 C.3 109 ILE109 0.0903 1673 HA 3.6676 24.0501 44.7803 H 109 ILE109 0.0560 1674 C 5.0600 25.2160 43.7030 C.2 109 ILE109 0.2189 1675 O 6.0100 25.9990 43.7500 O.2 109 ILE109 -0.2778 1676 CB 3.3261 26.1234 45.2973 C.3 109 ILE109 -0.0201 1677 HB 3.9318 27.0270 45.3766 H 109 ILE109 0.0318 1678 CG1 2.6188 25.9097 46.6560 C.3 109 ILE109 -0.0514 1679 HG11 1.9423 25.0581 46.5841 H 109 ILE109 0.0266 1680 HG12 3.3357 25.6480 47.4330 H 109 ILE109 0.0266 1681 CG2 2.2889 26.3586 44.1813 C.3 109 ILE109 -0.0605 1682 HG21 1.6557 27.2195 44.3942 H 109 ILE109 0.0233 1683 HG22 1.6405 25.4900 44.0627 H 109 ILE109 0.0233 1684 HG23 2.7628 26.5542 43.2193 H 109 ILE109 0.0233 1685 CD1 1.8565 27.1445 47.1532 C.3 109 ILE109 -0.0650 1686 HD11 1.4677 26.9791 48.1581 H 109 ILE109 0.0230 1687 HD12 1.0083 27.3783 46.5121 H 109 ILE109 0.0230 1688 HD13 2.5046 28.0203 47.1886 H 109 ILE109 0.0230 1689 N 4.7040 24.6410 42.5830 N.am 110 LEU110 -0.2456 1690 H 3.9240 23.9840 42.6150 H 110 LEU110 0.1312 1691 CA 5.3400 24.8700 41.2950 C.3 110 LEU110 0.0880 1692 HA 6.1499 25.5908 41.4040 H 110 LEU110 0.0557 1693 C 4.2700 25.4780 40.3810 C.2 110 LEU110 0.2187 1694 O 3.2650 24.7980 40.1380 O.2 110 LEU110 -0.2778 1695 CB 5.8626 23.5357 40.7402 C.3 110 LEU110 -0.0266 1696 HB1 6.6636 23.1831 41.3874 H 110 LEU110 0.0287 1697 HB2 5.0695 22.7894 40.8051 H 110 LEU110 0.0287 1698 CG 6.3802 23.5899 39.2899 C.3 110 LEU110 -0.0449 1699 HG 5.5590 23.8888 38.6372 H 110 LEU110 0.0296 1700 CD1 7.5105 24.6139 39.1144 C.3 110 LEU110 -0.0626 1701 HD11 7.1682 25.6262 39.3261 H 110 LEU110 0.0232 1702 HD12 7.8836 24.6129 38.0900 H 110 LEU110 0.0232 1703 HD13 8.3484 24.3948 39.7754 H 110 LEU110 0.0232 1704 CD2 6.8310 22.1958 38.8355 C.3 110 LEU110 -0.0626 1705 HD21 6.0174 21.4742 38.9190 H 110 LEU110 0.0232 1706 HD22 7.6620 21.8318 39.4402 H 110 LEU110 0.0232 1707 HD23 7.1541 22.2074 37.7943 H 110 LEU110 0.0232 1708 N 4.4140 26.6970 39.8970 N.am 111 ARG111 -0.2457 1709 H 5.2180 27.2620 40.1720 H 111 ARG111 0.1312 1710 CA 3.4300 27.2390 38.9710 C.3 111 ARG111 0.0879 1711 HA 2.4404 26.8717 39.2540 H 111 ARG111 0.0557 1712 C 3.7680 26.7570 37.5700 C.2 111 ARG111 0.2187 1713 O 4.8690 26.9970 37.0560 O.2 111 ARG111 -0.2778 1714 CB 3.4342 28.7642 39.0588 C.3 111 ARG111 -0.0258 1715 HB1 4.4188 29.1560 38.7966 H 111 ARG111 0.0286 1716 HB2 3.2396 29.0697 40.0868 H 111 ARG111 0.0286 1717 CG 2.3642 29.3476 38.1381 C.3 111 ARG111 -0.0154 1718 HG1 2.5501 29.0077 37.1178 H 111 ARG111 0.0299 1719 HG2 1.3786 28.9611 38.4032 H 111 ARG111 0.0299 1720 CD 2.3327 30.8673 38.1273 C.3 111 ARG111 0.1045 1721 HD1 3.3395 31.2814 38.0537 H 111 ARG111 0.0711 1722 HD2 1.8217 31.2793 39.0008 H 111 ARG111 0.0711 1723 NE 1.5988 31.2096 36.9265 N.pl3 111 ARG111 -0.4450 1724 HE 1.1143 30.4854 36.4228 H 111 ARG111 0.3153 1725 CZ 1.4886 32.3834 36.3632 C.cat 111 ARG111 0.5062 1726 NH1 2.0215 33.4398 36.9159 N.pl3 111 ARG111 -0.4573 1727 HH11 1.9540 34.3231 36.4705 H 111 ARG111 0.3114 1728 HH12 2.4936 33.3256 37.7905 H 111 ARG111 0.3114 1729 NH2 0.8344 32.4537 35.2421 N.pl3 111 ARG111 -0.4573 1730 HH21 0.6790 33.2898 34.7373 H 111 ARG111 0.3114 1731 HH22 0.4774 31.5803 34.8709 H 111 ARG111 0.3114 1732 N 2.8090 26.0810 36.9510 N.am 112 THR112 -0.2434 1733 H 1.8910 25.9820 37.3840 H 112 THR112 0.1313 1734 CA 3.0700 25.4860 35.6600 C.3 112 THR112 0.1135 1735 HA 4.1424 25.4466 35.4630 H 112 THR112 0.0583 1736 C 2.4400 26.2670 34.5140 C.2 112 THR112 0.2212 1737 O 2.9020 26.0930 33.3740 O.2 112 THR112 -0.2777 1738 CB 2.5225 24.0431 35.7074 C.3 112 THR112 0.0763 1739 HB 2.4430 23.6239 34.6987 H 112 THR112 0.0611 1740 OG1 1.2542 23.9885 36.3265 O.3 112 THR112 -0.3900 1741 HG1 0.7456 24.7402 36.0519 H 112 THR112 0.2098 1742 CG2 3.4210 23.1179 36.5361 C.3 112 THR112 -0.0370 1743 HG21 4.4343 23.0847 36.1365 H 112 THR112 0.0255 1744 HG22 3.0279 22.1009 36.5401 H 112 THR112 0.0255 1745 HG23 3.4760 23.4498 37.5733 H 112 THR112 0.0255 1746 N 1.4460 27.0980 34.7950 N.am 113 GLU113 -0.2439 1747 H 1.0980 27.1620 35.7520 H 113 GLU113 0.1312 1748 CA 0.8460 27.9180 33.7590 C.3 113 GLU113 0.1010 1749 HA 1.6025 28.1654 33.0140 H 113 GLU113 0.0576 1750 C 0.3520 29.2170 34.3890 C.2 113 GLU113 0.1943 1751 O 0.0800 29.1940 35.6000 O.co2 113 GLU113 -0.6467 1752 CB -0.3773 27.2244 33.0919 C.3 113 GLU113 -0.0175 1753 HB1 -0.7213 27.8391 32.2595 H 113 GLU113 0.0291 1754 HB2 -1.2120 27.2261 33.7900 H 113 GLU113 0.0291 1755 CG -0.1389 25.7891 32.5662 C.3 113 GLU113 0.0356 1756 HG1 0.5200 25.8129 31.6995 H 113 GLU113 0.0374 1757 HG2 0.3583 25.1860 33.3206 H 113 GLU113 0.0374 1758 CD -1.4185 24.9981 32.1901 C.2 113 GLU113 0.1760 1759 OE1 -1.2889 23.8758 31.6986 O.co2 113 GLU113 -0.6478 1760 OE2 -2.5338 25.4720 32.4012 O.co2 113 GLU113 -0.6478 1761 OXT 0.2631 30.2555 33.7345 O.co2 113 GLU113 -0.6467 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 7 1 6 5 9 1 7 5 6 1 8 7 18 am 9 7 8 2 10 9 12 1 11 9 10 1 12 9 11 1 13 12 15 1 14 12 13 1 15 12 14 1 16 15 16 ar 17 15 17 ar 18 18 19 1 19 18 29 1 20 19 21 1 21 19 23 1 22 19 20 1 23 21 32 am 24 21 22 2 25 23 26 1 26 23 24 1 27 23 25 1 28 26 29 1 29 26 27 1 30 26 28 1 31 29 30 1 32 29 31 1 33 32 34 1 34 32 33 1 35 34 38 1 36 34 36 1 37 34 35 1 38 36 37 2 39 36 42 am 40 38 39 1 41 38 40 1 42 38 41 1 43 42 44 1 44 42 43 1 45 44 48 1 46 44 46 1 47 44 45 1 48 46 47 2 49 46 66 am 50 48 51 1 51 48 49 1 52 48 50 1 53 51 54 1 54 51 52 1 55 51 53 1 56 54 57 1 57 54 55 1 58 54 56 1 59 57 59 ar 60 57 58 1 61 59 63 ar 62 59 60 ar 63 60 61 1 64 60 62 1 65 63 64 1 66 63 65 1 67 66 68 1 68 66 67 1 69 68 70 1 70 68 72 1 71 68 69 1 72 70 71 2 73 70 82 am 74 72 74 1 75 72 78 1 76 72 73 1 77 74 75 1 78 74 76 1 79 74 77 1 80 78 79 1 81 78 80 1 82 78 81 1 83 82 84 1 84 82 83 1 85 84 88 1 86 84 86 1 87 84 85 1 88 86 106 am 89 86 87 2 90 88 91 1 91 88 89 1 92 88 90 1 93 91 94 1 94 91 92 1 95 91 93 1 96 94 97 1 97 94 95 1 98 94 96 1 99 97 99 ar 100 97 98 1 101 99 103 ar 102 99 100 ar 103 100 101 1 104 100 102 1 105 103 104 1 106 103 105 1 107 106 108 1 108 106 107 1 109 108 110 1 110 108 112 1 111 108 109 1 112 110 111 2 113 110 117 am 114 112 115 1 115 112 113 1 116 112 114 1 117 115 116 1 118 117 119 1 119 117 118 1 120 119 123 1 121 119 121 1 122 119 120 1 123 121 122 2 124 121 128 am 125 123 126 1 126 123 124 1 127 123 125 1 128 126 127 1 129 128 130 1 130 128 129 1 131 130 132 1 132 130 134 1 133 130 131 1 134 132 133 2 135 132 146 am 136 134 137 1 137 134 135 1 138 134 136 1 139 137 139 ar 140 137 138 ar 141 138 141 ar 142 138 145 1 143 139 143 ar 144 139 140 1 145 141 143 ar 146 141 142 1 147 143 144 1 148 146 148 1 149 146 147 1 150 148 152 1 151 148 150 1 152 148 149 1 153 150 165 am 154 150 151 2 155 152 155 1 156 152 153 1 157 152 154 1 158 155 157 1 159 155 161 1 160 155 156 1 161 157 158 1 162 157 159 1 163 157 160 1 164 161 162 1 165 161 163 1 166 161 164 1 167 165 167 1 168 165 166 1 169 167 171 1 170 167 169 1 171 167 168 1 172 169 170 2 173 169 184 am 174 171 174 1 175 171 172 1 176 171 173 1 177 174 180 1 178 174 176 1 179 174 175 1 180 176 177 1 181 176 178 1 182 176 179 1 183 180 181 1 184 180 182 1 185 180 183 1 186 184 186 1 187 184 185 1 188 186 188 1 189 186 190 1 190 186 187 1 191 188 189 2 192 188 200 am 193 190 196 1 194 190 192 1 195 190 191 1 196 192 193 1 197 192 194 1 198 192 195 1 199 196 197 1 200 196 198 1 201 196 199 1 202 200 202 1 203 200 201 1 204 202 206 1 205 202 204 1 206 202 203 1 207 204 205 2 208 204 222 am 209 206 209 1 210 206 207 1 211 206 208 1 212 209 212 1 213 209 210 1 214 209 211 1 215 212 215 1 216 212 213 1 217 212 214 1 218 215 218 1 219 215 216 1 220 215 217 1 221 218 219 1 222 218 220 1 223 218 221 1 224 222 224 1 225 222 223 1 226 224 226 1 227 224 228 1 228 224 225 1 229 226 227 2 230 226 239 am 231 228 231 1 232 228 229 1 233 228 230 1 234 231 232 ar 235 231 233 ar 236 232 235 ar 237 233 237 ar 238 233 234 1 239 235 237 ar 240 235 236 1 241 237 238 1 242 239 241 1 243 239 240 1 244 241 245 1 245 241 243 1 246 241 242 1 247 243 250 am 248 243 244 2 249 245 248 1 250 245 246 1 251 245 247 1 252 248 249 1 253 250 252 1 254 250 251 1 255 252 254 1 256 252 256 1 257 252 253 1 258 254 267 am 259 254 255 2 260 256 259 1 261 256 257 1 262 256 258 1 263 259 262 1 264 259 260 1 265 259 261 1 266 262 263 2 267 262 264 am 268 264 265 1 269 264 266 1 270 267 269 1 271 267 268 1 272 269 273 1 273 269 271 1 274 269 270 1 275 271 278 am 276 271 272 2 277 273 276 1 278 273 274 1 279 273 275 1 280 276 277 1 281 278 280 1 282 278 279 1 283 280 282 1 284 280 284 1 285 280 281 1 286 282 302 am 287 282 283 2 288 284 287 1 289 284 285 1 290 284 286 1 291 287 290 1 292 287 288 1 293 287 289 1 294 290 293 1 295 290 291 1 296 290 292 1 297 293 295 ar 298 293 294 1 299 295 296 ar 300 295 299 ar 301 296 297 1 302 296 298 1 303 299 300 1 304 299 301 1 305 302 304 1 306 302 303 1 307 304 306 1 308 304 308 1 309 304 305 1 310 306 326 am 311 306 307 2 312 308 311 1 313 308 309 1 314 308 310 1 315 311 314 1 316 311 312 1 317 311 313 1 318 314 317 1 319 314 315 1 320 314 316 1 321 317 319 ar 322 317 318 1 323 319 323 ar 324 319 320 ar 325 320 321 1 326 320 322 1 327 323 324 1 328 323 325 1 329 326 337 1 330 326 327 1 331 327 329 1 332 327 331 1 333 327 328 1 334 329 340 am 335 329 330 2 336 331 334 1 337 331 332 1 338 331 333 1 339 334 337 1 340 334 335 1 341 334 336 1 342 337 338 1 343 337 339 1 344 340 342 1 345 340 341 1 346 342 346 1 347 342 344 1 348 342 343 1 349 344 351 am 350 344 345 2 351 346 349 1 352 346 347 1 353 346 348 1 354 349 350 1 355 351 353 1 356 351 352 1 357 353 355 1 358 353 357 1 359 353 354 1 360 355 356 2 361 355 362 am 362 357 360 1 363 357 358 1 364 357 359 1 365 360 361 1 366 362 364 1 367 362 363 1 368 364 368 1 369 364 366 1 370 364 365 1 371 366 367 2 372 366 386 am 373 368 371 1 374 368 369 1 375 368 370 1 376 371 372 ar 377 371 374 ar 378 372 375 ar 379 372 373 1 380 374 378 ar 381 374 377 ar 382 375 377 ar 383 375 376 1 384 377 380 ar 385 378 382 ar 386 378 379 1 387 380 384 ar 388 380 381 1 389 382 384 ar 390 382 383 1 391 384 385 1 392 386 388 1 393 386 387 1 394 388 390 1 395 388 392 1 396 388 389 1 397 390 391 2 398 390 410 am 399 392 395 1 400 392 393 1 401 392 394 1 402 395 398 1 403 395 396 1 404 395 397 1 405 398 401 1 406 398 399 1 407 398 400 1 408 401 403 ar 409 401 402 1 410 403 407 ar 411 403 404 ar 412 404 405 1 413 404 406 1 414 407 408 1 415 407 409 1 416 410 412 1 417 410 411 1 418 412 414 1 419 412 416 1 420 412 413 1 421 414 415 2 422 414 427 am 423 416 419 1 424 416 417 1 425 416 418 1 426 419 422 1 427 419 420 1 428 419 421 1 429 422 424 am 430 422 423 2 431 424 425 1 432 424 426 1 433 427 429 1 434 427 428 1 435 429 431 1 436 429 430 1 437 429 433 1 438 431 432 2 439 431 442 am 440 433 434 1 441 433 438 1 442 433 439 1 443 434 435 1 444 434 440 1 445 434 441 1 446 435 436 ar 447 435 437 ar 448 442 444 1 449 442 443 1 450 444 448 1 451 444 446 1 452 444 445 1 453 446 459 am 454 446 447 2 455 448 451 1 456 448 449 1 457 448 450 1 458 451 454 1 459 451 452 1 460 451 453 1 461 454 456 am 462 454 455 2 463 456 457 1 464 456 458 1 465 459 461 1 466 459 460 1 467 461 463 1 468 461 465 1 469 461 462 1 470 463 478 am 471 463 464 2 472 465 467 1 473 465 470 1 474 465 466 1 475 467 474 1 476 467 468 1 477 467 469 1 478 470 471 1 479 470 472 1 480 470 473 1 481 474 475 1 482 474 476 1 483 474 477 1 484 478 480 1 485 478 479 1 486 480 484 1 487 480 482 1 488 480 481 1 489 482 492 am 490 482 483 2 491 484 488 1 492 484 486 1 493 484 485 1 494 486 487 1 495 488 489 1 496 488 490 1 497 488 491 1 498 492 494 1 499 492 493 1 500 494 496 1 501 494 498 1 502 494 495 1 503 496 497 2 504 496 516 am 505 498 501 1 506 498 499 1 507 498 500 1 508 501 504 1 509 501 502 1 510 501 503 1 511 504 507 1 512 504 505 1 513 504 506 1 514 507 509 ar 515 507 508 1 516 509 513 ar 517 509 510 ar 518 510 511 1 519 510 512 1 520 513 514 1 521 513 515 1 522 516 518 1 523 516 517 1 524 518 520 1 525 518 522 1 526 518 519 1 527 520 521 2 528 520 530 am 529 522 526 1 530 522 524 1 531 522 523 1 532 524 525 1 533 526 527 1 534 526 528 1 535 526 529 1 536 530 532 1 537 530 531 1 538 532 534 1 539 532 536 1 540 532 533 1 541 534 547 am 542 534 535 2 543 536 539 1 544 536 537 1 545 536 538 1 546 539 542 1 547 539 540 1 548 539 541 1 549 542 543 2 550 542 544 am 551 544 545 1 552 544 546 1 553 547 549 1 554 547 548 1 555 549 551 1 556 549 553 1 557 549 550 1 558 551 552 2 559 551 562 am 560 553 556 1 561 553 554 1 562 553 555 1 563 556 559 1 564 556 557 1 565 556 558 1 566 559 560 ar 567 559 561 ar 568 562 564 1 569 562 563 1 570 564 568 1 571 564 566 1 572 564 565 1 573 566 567 2 574 566 577 am 575 568 571 1 576 568 569 1 577 568 570 1 578 571 574 1 579 571 572 1 580 571 573 1 581 574 575 ar 582 574 576 ar 583 577 579 1 584 577 578 1 585 579 583 1 586 579 581 1 587 579 580 1 588 581 582 2 589 581 587 am 590 583 584 1 591 583 585 1 592 583 586 1 593 587 589 1 594 587 588 1 595 589 593 1 596 589 591 1 597 589 590 1 598 591 592 2 599 591 606 am 600 593 596 1 601 593 594 1 602 593 595 1 603 596 598 1 604 596 602 1 605 596 597 1 606 598 599 1 607 598 600 1 608 598 601 1 609 602 603 1 610 602 604 1 611 602 605 1 612 606 608 1 613 606 607 1 614 608 610 1 615 608 612 1 616 608 609 1 617 610 611 2 618 610 621 am 619 612 615 1 620 612 613 1 621 612 614 1 622 615 618 1 623 615 616 1 624 615 617 1 625 618 620 ar 626 618 619 ar 627 621 623 1 628 621 622 1 629 623 627 1 630 623 625 1 631 623 624 1 632 625 640 am 633 625 626 2 634 627 630 1 635 627 628 1 636 627 629 1 637 630 632 1 638 630 636 1 639 630 631 1 640 632 633 1 641 632 634 1 642 632 635 1 643 636 637 1 644 636 638 1 645 636 639 1 646 640 642 1 647 640 641 1 648 642 646 1 649 642 644 1 650 642 643 1 651 644 645 2 652 644 659 am 653 646 648 1 654 646 651 1 655 646 647 1 656 648 655 1 657 648 649 1 658 648 650 1 659 651 652 1 660 651 653 1 661 651 654 1 662 655 656 1 663 655 657 1 664 655 658 1 665 659 661 1 666 659 660 1 667 661 663 1 668 661 665 1 669 661 662 1 670 663 664 2 671 663 673 am 672 665 668 1 673 665 666 1 674 665 667 1 675 668 669 2 676 668 670 am 677 670 671 1 678 670 672 1 679 673 675 1 680 673 674 1 681 675 678 1 682 675 676 1 683 675 677 1 684 678 680 am 685 678 679 2 686 680 682 1 687 680 681 1 688 682 684 1 689 682 686 1 690 682 683 1 691 684 685 2 692 684 701 am 693 686 689 1 694 686 687 1 695 686 688 1 696 689 692 ar 697 689 690 ar 698 690 694 ar 699 690 691 1 700 692 696 ar 701 692 693 1 702 694 698 ar 703 694 695 1 704 696 698 ar 705 696 697 1 706 698 699 1 707 699 700 1 708 701 703 1 709 701 702 1 710 703 705 1 711 703 707 1 712 703 704 1 713 705 706 2 714 705 720 am 715 707 709 1 716 707 712 1 717 707 708 1 718 709 716 1 719 709 710 1 720 709 711 1 721 712 713 1 722 712 714 1 723 712 715 1 724 716 717 1 725 716 718 1 726 716 719 1 727 720 722 1 728 720 721 1 729 722 724 1 730 722 723 1 731 722 726 1 732 724 725 2 733 724 737 am 734 726 727 1 735 726 731 1 736 726 732 1 737 727 728 1 738 727 733 1 739 727 734 1 740 728 729 2 741 728 730 am 742 730 735 1 743 730 736 1 744 737 739 1 745 737 738 1 746 739 743 1 747 739 741 1 748 739 740 1 749 741 742 2 750 741 759 am 751 743 746 1 752 743 744 1 753 743 745 1 754 746 749 1 755 746 747 1 756 746 748 1 757 749 752 1 758 749 750 1 759 749 751 1 760 752 755 1 761 752 753 1 762 752 754 1 763 755 756 1 764 755 757 1 765 755 758 1 766 759 761 1 767 759 760 1 768 761 763 1 769 761 765 1 770 761 762 1 771 763 764 2 772 763 778 am 773 765 770 1 774 765 767 1 775 765 766 1 776 767 774 1 777 767 768 1 778 767 769 1 779 770 771 1 780 770 772 1 781 770 773 1 782 774 775 1 783 774 776 1 784 774 777 1 785 778 780 1 786 778 779 1 787 780 782 1 788 780 784 1 789 780 781 1 790 782 783 2 791 782 800 am 792 784 787 1 793 784 785 1 794 784 786 1 795 787 790 1 796 787 788 1 797 787 789 1 798 790 793 1 799 790 791 1 800 790 792 1 801 793 796 1 802 793 794 1 803 793 795 1 804 796 797 1 805 796 798 1 806 796 799 1 807 800 802 1 808 800 801 1 809 802 804 1 810 802 806 1 811 802 803 1 812 804 805 2 813 804 811 am 814 806 809 1 815 806 807 1 816 806 808 1 817 809 810 1 818 811 813 1 819 811 812 1 820 813 816 1 821 813 814 1 822 813 815 1 823 816 817 2 824 816 818 am 825 818 820 1 826 818 819 1 827 820 822 1 828 820 824 1 829 820 821 1 830 822 823 2 831 822 833 am 832 824 827 1 833 824 825 1 834 824 826 1 835 827 830 1 836 827 828 1 837 827 829 1 838 830 831 ar 839 830 832 ar 840 833 835 1 841 833 834 1 842 835 837 1 843 835 839 1 844 835 836 1 845 837 838 2 846 837 848 am 847 839 842 1 848 839 840 1 849 839 841 1 850 842 845 1 851 842 843 1 852 842 844 1 853 845 846 ar 854 845 847 ar 855 848 850 1 856 848 849 1 857 850 854 1 858 850 852 1 859 850 851 1 860 852 853 2 861 852 860 am 862 854 857 1 863 854 855 1 864 854 856 1 865 857 858 ar 866 857 859 ar 867 860 862 1 868 860 861 1 869 862 864 1 870 862 866 1 871 862 863 1 872 864 865 2 873 864 880 am 874 866 869 1 875 866 867 1 876 866 868 1 877 869 870 ar 878 869 872 ar 879 870 874 ar 880 870 871 1 881 872 876 ar 882 872 873 1 883 874 878 ar 884 874 875 1 885 876 878 ar 886 876 877 1 887 878 879 1 888 880 882 1 889 880 881 1 890 882 886 1 891 882 884 1 892 882 883 1 893 884 885 2 894 884 895 am 895 886 889 1 896 886 887 1 897 886 888 1 898 889 892 1 899 889 890 1 900 889 891 1 901 892 893 ar 902 892 894 ar 903 895 897 1 904 895 896 1 905 897 899 1 906 897 901 1 907 897 898 1 908 899 900 2 909 899 906 am 910 901 904 1 911 901 902 1 912 901 903 1 913 904 905 1 914 906 908 1 915 906 907 1 916 908 910 1 917 908 912 1 918 908 909 1 919 910 925 am 920 910 911 2 921 912 915 1 922 912 913 1 923 912 914 1 924 915 921 1 925 915 917 1 926 915 916 1 927 917 918 1 928 917 919 1 929 917 920 1 930 921 922 1 931 921 923 1 932 921 924 1 933 925 927 1 934 925 926 1 935 927 929 1 936 927 931 1 937 927 928 1 938 929 930 2 939 929 935 am 940 931 932 1 941 931 933 1 942 931 934 1 943 935 937 1 944 935 936 1 945 937 941 1 946 937 939 1 947 937 938 1 948 939 940 2 949 939 946 am 950 941 944 1 951 941 942 1 952 941 943 1 953 944 945 1 954 946 948 1 955 946 947 1 956 948 952 1 957 948 950 1 958 948 949 1 959 950 951 2 960 950 963 am 961 952 955 1 962 952 953 1 963 952 954 1 964 955 958 1 965 955 956 1 966 955 957 1 967 958 959 2 968 958 960 am 969 960 961 1 970 960 962 1 971 963 965 1 972 963 964 1 973 965 967 1 974 965 969 1 975 965 966 1 976 967 968 2 977 967 983 am 978 969 972 1 979 969 970 1 980 969 971 1 981 972 973 ar 982 972 975 ar 983 973 977 ar 984 973 974 1 985 975 979 ar 986 975 976 1 987 977 981 ar 988 977 978 1 989 979 981 ar 990 979 980 1 991 981 982 1 992 983 985 1 993 983 984 1 994 985 987 1 995 985 989 1 996 985 986 1 997 987 988 2 998 987 994 am 999 989 992 1 1000 989 990 1 1001 989 991 1 1002 992 993 1 1003 994 996 1 1004 994 995 1 1005 996 998 1 1006 996 1000 1 1007 996 997 1 1008 998 1006 am 1009 998 999 2 1010 1000 1003 1 1011 1000 1001 1 1012 1000 1002 1 1013 1003 1004 ar 1014 1003 1005 ar 1015 1006 1008 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1756 1 1774 1755 1757 1 1775 1758 1759 ar 1776 1758 1760 ar @SUBSTRUCTURE 1 GLU1 5 RESIDUE 1 B GLU 1 ROOT 2 PRO2 19 RESIDUE 1 B PRO 2 3 ALA3 34 RESIDUE 1 B ALA 2 4 ARG4 44 RESIDUE 1 B ARG 2 5 VAL5 68 RESIDUE 1 B VAL 2 6 ARG6 84 RESIDUE 1 B ARG 2 7 CYS7 108 RESIDUE 1 B CYS 2 8 SER8 119 RESIDUE 1 B SER 2 9 HIS9 130 RESIDUE 1 B HIS 2 10 LEU10 148 RESIDUE 1 B LEU 2 11 LEU11 167 RESIDUE 1 B LEU 2 12 VAL12 186 RESIDUE 1 B VAL 2 13 LYS13 202 RESIDUE 1 B LYS 2 14 HIS14 224 RESIDUE 1 B HIS 2 15 SER15 241 RESIDUE 1 B SER 2 16 GLN16 252 RESIDUE 1 B GLN 2 17 SER17 269 RESIDUE 1 B SER 2 18 ARG18 280 RESIDUE 1 B ARG 2 19 ARG19 304 RESIDUE 1 B ARG 2 20 PRO20 327 RESIDUE 1 B PRO 2 21 SER21 342 RESIDUE 1 B SER 2 22 SER22 353 RESIDUE 1 B SER 2 23 TRP23 364 RESIDUE 1 B TRP 2 24 ARG24 388 RESIDUE 1 B ARG 2 25 GLN25 412 RESIDUE 1 B GLN 2 26 GLU26 429 RESIDUE 1 B GLU 2 27 GLN27 444 RESIDUE 1 B GLN 2 28 ILE28 461 RESIDUE 1 B ILE 2 29 THR29 480 RESIDUE 1 B THR 2 30 ARG30 494 RESIDUE 1 B ARG 2 31 THR31 518 RESIDUE 1 B THR 2 32 GLN32 532 RESIDUE 1 B GLN 2 33 GLU33 549 RESIDUE 1 B GLU 2 34 GLU34 564 RESIDUE 1 B GLU 2 35 ALA35 579 RESIDUE 1 B ALA 2 36 LEU36 589 RESIDUE 1 B LEU 2 37 GLU37 608 RESIDUE 1 B GLU 2 38 LEU38 623 RESIDUE 1 B LEU 2 39 ILE39 642 RESIDUE 1 B ILE 2 40 ASN40 661 RESIDUE 1 B ASN 2 41 GLY41 675 RESIDUE 1 B GLY 2 42 TYR42 682 RESIDUE 1 B TYR 2 43 ILE43 703 RESIDUE 1 B ILE 2 44 GLN44 722 RESIDUE 1 B GLN 2 45 LYS45 739 RESIDUE 1 B LYS 2 46 ILE46 761 RESIDUE 1 B ILE 2 47 LYS47 780 RESIDUE 1 B LYS 2 48 SER48 802 RESIDUE 1 B SER 2 49 GLY49 813 RESIDUE 1 B GLY 2 50 GLU50 820 RESIDUE 1 B GLU 2 51 GLU51 835 RESIDUE 1 B GLU 2 52 ASP52 850 RESIDUE 1 B ASP 2 53 PHE53 862 RESIDUE 1 B PHE 2 54 GLU54 882 RESIDUE 1 B GLU 2 55 SER55 897 RESIDUE 1 B SER 2 56 LEU56 908 RESIDUE 1 B LEU 2 57 ALA57 927 RESIDUE 1 B ALA 2 58 SER58 937 RESIDUE 1 B SER 2 59 GLN59 948 RESIDUE 1 B GLN 2 60 PHE60 965 RESIDUE 1 B PHE 2 61 SER61 985 RESIDUE 1 B SER 2 62 ASP62 996 RESIDUE 1 B ASP 2 63 CYS63 1008 RESIDUE 1 B CYS 2 64 SER64 1019 RESIDUE 1 B SER 2 65 SER65 1030 RESIDUE 1 B SER 2 66 ALA66 1041 RESIDUE 1 B ALA 2 67 LYS67 1051 RESIDUE 1 B LYS 2 68 ALA68 1073 RESIDUE 1 B ALA 2 69 ARG69 1083 RESIDUE 1 B ARG 2 70 GLY70 1107 RESIDUE 1 B GLY 2 71 ASP71 1114 RESIDUE 1 B ASP 2 72 LEU72 1126 RESIDUE 1 B LEU 2 73 GLY73 1145 RESIDUE 1 B GLY 2 74 ALA74 1152 RESIDUE 1 B ALA 2 75 PHE75 1162 RESIDUE 1 B PHE 2 76 SER76 1182 RESIDUE 1 B SER 2 77 ARG77 1193 RESIDUE 1 B ARG 2 78 GLY78 1217 RESIDUE 1 B GLY 2 79 GLN79 1224 RESIDUE 1 B GLN 2 80 MET80 1241 RESIDUE 1 B MET 2 81 GLN81 1258 RESIDUE 1 B GLN 2 82 LYS82 1275 RESIDUE 1 B LYS 2 83 PRO83 1296 RESIDUE 1 B PRO 2 84 PHE84 1311 RESIDUE 1 B PHE 2 85 GLU85 1331 RESIDUE 1 B GLU 2 86 ASP86 1346 RESIDUE 1 B ASP 2 87 ALA87 1358 RESIDUE 1 B ALA 2 88 SER88 1368 RESIDUE 1 B SER 2 89 PHE89 1379 RESIDUE 1 B PHE 2 90 ALA90 1399 RESIDUE 1 B ALA 2 91 LEU91 1409 RESIDUE 1 B LEU 2 92 ARG92 1428 RESIDUE 1 B ARG 2 93 THR93 1452 RESIDUE 1 B THR 2 94 GLY94 1466 RESIDUE 1 B GLY 2 95 GLU95 1473 RESIDUE 1 B GLU 2 96 MET96 1488 RESIDUE 1 B MET 2 97 SER97 1505 RESIDUE 1 B SER 2 98 GLY98 1516 RESIDUE 1 B GLY 2 99 PRO99 1522 RESIDUE 1 B PRO 2 100 VAL100 1537 RESIDUE 1 B VAL 2 101 PHE101 1553 RESIDUE 1 B PHE 2 102 THR102 1573 RESIDUE 1 B THR 2 103 ASP103 1587 RESIDUE 1 B ASP 2 104 SER104 1599 RESIDUE 1 B SER 2 105 GLY105 1610 RESIDUE 1 B GLY 2 106 ILE106 1617 RESIDUE 1 B ILE 2 107 HIS107 1636 RESIDUE 1 B HIS 2 108 ILE108 1653 RESIDUE 1 B ILE 2 109 ILE109 1672 RESIDUE 1 B ILE 2 110 LEU110 1691 RESIDUE 1 B LEU 2 111 ARG111 1710 RESIDUE 1 B ARG 2 112 THR112 1734 RESIDUE 1 B THR 2 113 GLU113 1748 RESIDUE 1 B GLU 1