NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3886 8.2229 122.4601 51.1975 21.3432 176.5214 32 E 4.9076 8.1195 112.9110 54.2825 32.7329 176.0351 33 V 4.4137 8.8473 116.3124 59.1172 36.4236 174.4913 34 L 4.7498 8.5679 125.1002 54.8436 41.6625 176.9079 35 L 4.4578 9.4332 124.6043 56.7686 42.9974 177.0947 36 L 4.5937 7.6394 118.5117 53.9726 45.8258 173.4136 37 D 5.4232 8.7085 124.8056 52.3805 43.6855 176.1324 38 S 4.2710 9.3701 122.2085 61.1139 62.9793 175.8465 39 K 4.0844 8.3889 118.8542 58.2416 32.7297 177.2390 40 A 4.6804 8.1922 125.0682 52.6822 19.4490 176.6258 41 Q 4.7487 7.8896 122.1424 55.2818 31.2757 177.7070 *46 E 4.4193 8.3569 109.0354 56.9441 31.1403 171.4714 47 W 4.7342 9.0273 121.9858 57.0370 30.0846 175.6342 48 I 4.3855 8.4681 124.0410 60.7198 38.3432 174.8379 49 S 5.4151 8.7862 122.3134 56.9172 65.3355 173.6451 50 S 4.6579 9.5538 119.4449 55.7787 65.0486 171.7659 51 P 4.7936 0.0000 0.0000 61.5260 32.1761 175.5591 52 P 4.3231 0.0000 0.0000 65.9853 31.2480 177.3470 53 N 4.7601 8.1791 112.3306 53.6248 40.3244 175.1842 54 G 3.4930 8.5130 109.7558 46.6933 0.0000 176.3965 55 W 4.5486 9.4911 117.0583 57.0676 30.4796 176.3145 56 E 4.9222 9.6163 123.3448 54.5560 33.6794 174.1361 57 E 4.4992 8.8725 124.1140 55.5021 30.8884 175.4351 58 I 4.5321 8.3273 127.1869 59.6256 40.6837 175.0870 59 S 4.6770 8.6915 123.0248 58.4827 64.1835 174.5728 60 G 4.0176 8.2742 108.2676 46.2056 0.0000 171.9218 61 L 5.2251 8.4190 120.8959 52.8721 45.4788 176.1973 62 D 4.6793 8.4264 122.3913 51.7751 41.2524 176.8745 63 E 3.6840 8.5143 116.1176 59.1149 29.3732 177.3026 64 N 4.6957 8.1913 114.7416 52.7248 38.7785 174.1819 65 Y 3.5434 7.5319 115.0244 59.2755 36.2269 169.8039 66 T 4.4490 8.3968 116.5919 61.6132 69.7874 172.9111 67 P 4.9777 0.0000 0.0000 62.9748 32.0821 175.6601 68 I 4.6703 8.7493 116.5198 59.0777 41.4748 174.5735 69 R 4.7021 8.4734 122.1879 54.7647 32.0818 175.1852 70 T 4.6472 8.3286 115.0174 60.2437 71.8278 173.2549 71 Y 5.1689 8.8936 120.9753 56.4843 41.0283 174.7213 72 Q 5.3000 9.5128 123.4086 54.2561 33.0513 175.0122 73 V 4.3163 8.0216 120.4438 60.3591 34.8178 173.7755 74 C 4.9033 7.8764 122.2133 56.3863 44.5728 175.2668 75 Q 4.2773 7.3872 124.1667 54.7815 27.3980 176.7283 76 V 3.9253 7.4877 112.9742 63.1585 32.7788 178.1584 77 M 4.3437 7.8690 116.2532 54.9806 31.8364 181.3098 78 E 4.7617 7.7216 116.0323 54.6599 32.6377 174.1347 79 P 4.5141 0.0000 0.0000 62.6408 32.3992 175.0057 80 N 4.2494 8.6042 113.4007 54.5383 35.8539 175.1020 81 Q 4.1346 7.8832 116.2051 56.1219 30.1493 176.4772 82 N 5.4731 8.4188 120.6698 52.5790 39.3695 171.6997 83 N 5.2596 9.2325 118.7447 51.3723 41.1953 174.3865 84 W 5.2289 9.7215 124.7635 54.7587 31.9998 174.7255 85 L 5.3149 8.9156 126.9983 53.0626 44.3613 175.1148 86 R 5.1103 8.6679 122.5831 54.1418 32.4892 175.4150 87 T 2.6840 8.4290 115.6402 61.4367 69.6038 174.2182 88 N 4.7630 7.9612 118.9743 51.2973 38.3868 174.0489 89 W 3.6575 8.8130 127.7920 58.7856 31.4233 175.1073 90 I 3.8047 7.2068 128.1810 58.9955 38.4849 174.9877 91 S 3.5151 7.6441 123.0518 57.5632 62.6150 174.4336 92 K 4.1276 8.7467 126.6341 57.7052 34.1708 179.4801 93 G 3.8878 7.1176 105.6989 47.0386 0.0000 174.3663 94 N 4.5515 8.9189 121.0657 52.4364 38.8822 174.8056 95 A 3.0952 6.8196 121.8524 51.9191 19.0148 175.7757 96 Q 4.0652 7.9016 118.8050 56.6538 30.3763 175.6111 97 R 4.3411 8.0701 118.7093 56.2327 31.7696 176.3874 98 I 4.3607 8.4911 125.0765 59.4257 40.1560 174.5108 99 F 5.0303 8.7553 125.0083 55.6279 41.5487 174.7178 100 V 4.8335 8.9355 123.3693 61.0824 33.9766 173.5965 101 E 5.2350 9.8517 129.4861 54.5088 32.0452 174.2454 102 L 5.4635 9.3483 127.1976 52.9757 44.9522 175.4289 103 K 5.3679 9.2432 123.5708 54.6806 35.0389 175.2400 104 F 5.4557 8.6303 118.3477 56.2826 41.7622 172.9319 105 T 4.8589 8.8878 114.0958 60.4944 70.9119 172.5943 106 L 5.2622 8.5645 126.1407 53.5811 44.0458 176.2809 107 R 4.4240 8.1989 123.0373 55.4729 31.6250 177.2521 108 D 4.4032 8.6977 118.5358 55.3213 39.9734 176.7612 109 C 4.4759 8.4063 120.3022 58.1034 39.1162 174.4594 110 N 4.2789 8.0516 114.9480 55.4624 38.3396 175.4112 111 S 4.7703 7.8802 111.6908 58.0935 63.7216 173.5192 112 L 4.7938 7.5643 119.5719 52.7994 44.3649 174.8799 113 P 4.1206 0.0000 0.0000 63.6412 31.8163 172.6747 114 G 3.7876 8.6439 118.0524 46.0422 0.0000 174.5424 115 V 2.8681 8.0042 120.7462 62.1364 31.3281 175.4859 *119 C 4.4015 8.7017 127.2545 57.9670 40.9650 174.4592 120 K 4.2811 8.6684 126.3316 55.0476 31.7495 172.8327 121 E 4.8403 8.8477 119.9073 55.7815 30.3439 175.1831 122 T 5.3813 7.7361 108.3295 60.3001 72.6185 172.0261 123 F 5.1075 8.6987 116.1591 55.8826 42.3435 172.5374 124 N 5.2344 9.3546 115.5281 51.2644 41.7092 173.6877 125 L 5.0709 8.2532 124.4926 53.5593 44.5690 174.8082 126 Y 5.5307 9.0785 123.3452 56.4954 42.5082 173.8345 127 Y 5.7159 9.2166 117.8720 56.0683 42.4724 173.7564 128 Y 4.5402 8.9718 121.0681 56.0267 41.9779 173.8172 129 E 4.7504 8.4485 127.5416 56.4470 30.3742 176.5519 130 T 4.5642 8.7299 113.9254 60.0771 72.0845 175.0244 131 D 4.4795 8.9944 125.5582 57.7055 41.2568 176.4156 *132 Y 3.5582 6.9985 114.7065 54.1051 40.9239 177.6602 133 D 4.0076 7.0604 117.5133 55.4193 40.4476 176.1239 134 T 3.9125 8.6875 125.0145 63.8037 68.8704 176.2861 135 G 3.8593 7.2721 110.3638 46.7258 0.0000 172.8940 136 R 4.2754 8.3805 119.2426 55.7118 28.5700 174.9680 137 N 4.7382 7.4069 116.5597 50.8425 40.2781 176.3336 138 I 3.6874 8.1916 126.1605 60.3392 37.3783 176.7455 139 R 4.1799 8.1397 125.9144 54.1865 29.6346 176.8909 140 E 2.8824 7.8720 124.0248 58.7109 29.5604 179.4257 141 N 4.5110 7.6793 114.5722 55.2351 38.8838 176.0071 142 L 4.0623 7.4720 117.1174 56.2368 42.0221 176.7292 143 Y 4.3292 7.3178 115.6429 57.2342 38.9102 174.7315 144 V 4.3833 8.1977 124.3501 61.1626 33.4486 174.7661 145 K 3.8705 8.7448 129.8566 56.6657 32.0486 176.4682 146 I 3.9285 8.6795 129.6998 63.3966 37.5799 175.6743 147 D 4.3015 7.1793 118.6164 53.8248 44.4626 174.5995 148 T 4.5859 8.4819 119.1775 63.2771 69.6526 174.3137 149 I 4.1827 8.7170 127.5223 59.6715 38.6498 174.6944 150 A 5.2050 8.5247 128.2932 49.9397 21.7157 175.6038 151 A 4.5604 8.0751 121.9443 51.0466 20.0835 177.1015 152 D 4.4342 9.3458 120.4592 54.7220 41.2967 175.5543 153 E 3.8114 8.5197 122.2606 58.5513 28.9926 176.6521 *166 K 4.1586 7.7145 118.8227 52.8743 33.6982 176.8624 167 L 4.4316 7.8092 121.5508 55.1995 43.1312 175.5058 168 N 4.8246 8.8219 123.6766 51.9571 40.9960 174.0446 169 T 5.2222 8.3141 118.2031 61.9073 71.7505 173.1396 170 E 4.8557 9.5404 125.6960 54.4641 33.3094 174.9712 171 V 5.0919 8.6198 123.3486 61.2100 34.3709 174.7301 172 R 4.7430 9.0975 125.7593 54.3446 34.0289 173.7030 173 E 4.7505 8.7546 123.9139 54.4219 31.3047 174.7405 174 I 4.1800 8.6812 119.7935 59.5122 41.5747 175.5447 175 G 3.8309 8.2599 108.9531 43.7745 0.0000 171.2946 176 P 4.6518 0.0000 0.0000 62.0327 31.7384 176.4222 177 L 4.5465 8.0025 121.7041 53.5934 43.2004 176.7658 178 S 4.3675 8.5586 117.8395 60.1574 63.9761 175.7637 179 K 4.5471 7.8865 121.1298 53.3664 32.7855 180.6119 180 K 4.2667 8.6341 117.5264 60.4907 33.3265 177.0886 181 G 4.1015 8.4567 105.5947 45.9578 0.0000 171.5857 182 F 5.3683 7.7540 112.6704 56.2519 41.6316 172.7504 183 Y 4.9056 9.1063 117.9612 56.5183 40.5668 174.7359 184 L 5.4129 8.7039 122.3479 53.1963 44.4545 175.4651 185 A 4.9533 8.8905 123.6997 50.0419 23.1130 174.8307 186 F 5.1524 9.2212 119.2347 55.5719 42.6616 173.9133 187 Q 4.6923 9.3844 125.5253 54.2361 31.2133 173.6112 188 D 5.0787 9.5708 127.4610 52.9649 43.0620 176.9259 189 V 5.0373 7.8847 116.7480 60.5318 32.7847 175.1761 190 G 3.8620 7.6138 107.0814 45.8047 0.0000 174.5426 191 A 4.5212 8.9471 123.7059 50.4133 21.4078 176.1193 192 C 5.0631 8.3559 119.4544 55.0630 39.2494 171.7503 193 I 5.0257 8.7987 126.3553 59.0130 40.4534 174.5919 194 A 4.6048 8.8080 128.3342 50.1824 20.8702 175.7150 195 L 4.3157 9.3292 126.1516 55.4735 41.6596 177.2558 196 V 3.8300 8.9329 127.7842 65.2054 32.5050 176.2453 197 S 4.7608 7.8840 113.5329 56.9473 66.0872 173.1869 198 V 5.0798 9.3361 126.5599 61.2056 34.6122 174.1382 199 K 5.2706 9.5754 127.2336 54.6493 35.8365 175.2376 200 V 5.0612 9.3382 124.8982 61.3413 34.3153 173.8717 201 Y 5.5336 8.4898 124.7018 56.5128 41.9860 172.6934 202 Y 5.4575 8.7310 117.1892 55.6795 42.3443 173.6741 203 K 5.1015 8.8224 118.7008 54.1857 34.5482 176.8864 204 K 4.3198 9.0461 123.5555 56.9060 31.9070 176.8316 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 31 A 8.22 4.39 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.12 4.91 0.00 1.82 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 33 V 8.85 4.41 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.22 0.00 0.00 34 L 8.57 4.75 0.00 1.57 1.68 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.43 4.46 0.00 1.72 1.74 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.64 4.59 0.00 1.75 1.54 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.71 5.42 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.37 4.27 0.00 4.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.39 4.08 0.00 2.01 1.98 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.85 1.40 7.81 40 A 8.19 4.68 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.89 4.75 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.47 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 *46 E 8.36 4.42 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 47 W 9.03 4.73 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.47 4.39 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.94 0.00 0.00 49 S 8.79 5.42 0.00 3.88 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 9.55 4.66 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.79 0.00 2.30 2.19 0.00 4.01 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 52 P 0.00 4.32 0.00 2.10 2.22 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 53 N 8.18 4.76 0.00 2.73 2.86 0.00 0.00 6.84 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.51 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 9.49 4.55 0.00 3.29 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.62 4.92 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 57 E 8.87 4.50 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.93 0.00 58 I 8.33 4.53 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.37 0.85 0.00 0.00 59 S 8.69 4.68 0.00 3.68 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.27 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.42 5.23 0.00 1.51 1.44 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.43 4.68 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.51 3.68 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 64 N 8.19 4.70 0.00 2.87 2.92 0.00 0.00 6.94 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.53 3.54 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.40 4.45 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 P 0.00 4.98 0.00 1.92 1.98 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 68 I 8.75 4.67 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.89 0.00 0.00 69 R 8.47 4.70 0.00 1.60 1.48 0.00 3.14 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 70 T 8.33 4.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 71 Y 8.89 5.17 0.00 2.94 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.51 5.30 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 73 V 8.02 4.32 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 0.50 0.00 0.00 74 C 7.88 4.90 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.39 4.28 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 76 V 7.49 3.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.91 0.00 0.00 77 M 7.87 4.34 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.12 0.00 78 E 7.72 4.76 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 79 P 0.00 4.51 0.00 2.05 1.99 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 80 N 8.60 4.25 0.00 2.89 2.93 0.00 0.00 6.95 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.88 4.13 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 82 N 8.42 5.47 0.00 2.77 2.79 0.00 0.00 7.01 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 9.23 5.26 0.00 2.63 2.80 0.00 0.00 6.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 W 9.72 5.23 0.00 3.27 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.92 5.31 0.00 0.78 0.49 1.09 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.67 5.11 0.00 2.03 1.90 0.00 2.83 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 87 T 8.43 2.68 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 88 N 7.96 4.76 0.00 2.77 2.65 0.00 0.00 6.60 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.81 3.66 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.21 3.80 0.56 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.22 0.47 0.00 0.00 91 S 7.64 3.52 0.00 3.43 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.75 4.13 0.00 1.91 2.05 0.00 1.37 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.27 7.81 93 G 7.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.92 4.55 0.00 2.80 2.85 0.00 0.00 6.73 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 6.82 3.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.90 4.07 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 97 R 8.07 4.34 0.00 1.50 1.44 0.00 3.12 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 98 I 8.49 4.36 1.46 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.89 0.00 0.00 99 F 8.76 5.03 0.00 1.91 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.94 4.83 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.92 0.00 0.00 101 E 9.85 5.23 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 102 L 9.35 5.46 0.00 1.90 1.85 1.23 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.24 5.37 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.45 7.81 104 F 8.63 5.46 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.89 4.86 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.00 2.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 *119 C 8.70 4.40 0.00 3.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.67 4.28 0.00 1.77 1.60 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.04 7.81 121 E 8.85 4.84 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 122 T 7.74 5.38 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 123 F 8.70 5.11 0.00 3.46 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 9.35 5.23 0.00 2.83 2.50 0.00 0.00 6.91 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.25 5.07 0.00 1.67 1.47 0.77 0.66 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.69 3.91 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 135 G 7.27 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.38 4.28 0.00 1.84 1.78 0.00 3.24 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 137 N 7.41 4.74 0.00 2.67 2.59 0.00 0.00 7.01 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.19 3.69 1.60 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.41 0.00 0.00 139 R 8.14 4.18 0.00 1.63 1.67 0.00 3.12 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 140 E 7.87 2.88 0.00 1.38 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 141 N 7.68 4.51 0.00 2.58 2.81 0.00 0.00 6.94 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.08 4.56 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 9.35 4.43 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.52 3.81 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 *166 K 7.71 4.16 0.00 1.82 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 167 L 7.81 4.43 0.00 1.58 1.53 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 168 N 8.82 4.82 0.00 1.44 2.24 0.00 0.00 6.47 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 8.31 5.22 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 170 E 9.54 4.86 0.00 2.09 1.91 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.89 4.55 0.00 1.80 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.02 7.81 180 K 8.63 4.27 0.00 2.08 2.12 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.61 7.81 181 G 8.46 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 7.75 5.37 0.00 3.30 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 9.11 4.91 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.70 5.41 0.00 1.38 1.15 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.89 4.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 9.22 5.15 0.00 2.23 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 9.38 4.69 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.07 1.45 0.00 188 D 9.57 5.08 0.00 2.59 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 7.88 5.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.99 0.00 0.00 190 G 7.61 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 8.95 4.52 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 C 8.36 5.06 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 I 8.80 5.03 1.57 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.81 0.00 0.00 194 A 8.81 4.60 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 9.33 4.32 0.00 1.77 1.94 0.95 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.93 3.83 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 197 S 7.88 4.76 0.00 3.95 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 9.34 5.08 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.01 0.00 0.00 199 K 9.58 5.27 0.00 1.95 1.93 0.00 1.92 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.46 7.81 200 V 9.34 5.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.07 0.00 0.00 201 Y 8.49 5.53 0.00 3.23 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 Y 8.73 5.46 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.82 5.10 0.00 1.81 1.84 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.64 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.42 1.66 7.81 204 K 9.05 4.32 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.