NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 V 3.9177 8.0501 114.0569 60.4899 33.7475 174.7941 60 A 4.3398 7.7939 122.1817 49.0545 19.4075 170.6294 61 V 3.8377 8.9786 124.0731 63.4117 33.0305 175.0555 62 S 4.3002 8.6993 123.0806 60.5597 63.2054 174.1559 63 A 4.7109 7.4586 121.2332 50.3069 22.3531 175.0805 64 D 4.6854 8.4842 121.0305 53.1010 40.9086 176.3299 65 P 4.0848 0.0000 0.0000 63.8580 31.5880 177.2209 66 N 4.3703 7.4140 110.8831 54.0858 36.5105 174.0445 67 V 4.1774 7.0504 112.2831 59.1199 32.2786 174.7599 68 P 4.4661 0.0000 0.0000 62.3522 32.1776 176.0696 69 N 4.5294 8.9613 119.8995 56.0116 40.1542 174.5709 70 V 4.9559 7.8757 117.9322 60.9691 33.9329 175.0925 71 V 4.2844 8.6599 128.1384 60.9711 33.6753 174.5530 72 V 3.9890 8.3787 129.4153 62.8911 31.4183 175.4491 73 T 4.2153 8.8321 119.4934 63.2933 70.7437 174.7301 74 G 4.1262 7.1427 106.1398 45.2776 0.0000 171.9857 75 L 5.2829 7.9364 122.1853 53.3417 45.3177 175.4685 76 T 4.9010 8.6885 121.3584 61.9691 73.2307 172.8139 77 L 4.7610 7.9719 126.4167 53.4774 42.8885 177.0517 78 V 3.8764 8.8553 126.6742 62.2069 31.8442 174.7976 79 C 4.6824 8.3296 128.7708 57.7063 33.6621 174.3085 80 S 4.1356 9.0746 123.7355 61.8025 62.7147 176.5508 81 S 4.1388 8.0694 114.8436 60.7166 63.0137 174.8209 82 A 2.0000 6.9878 122.7817 51.2259 18.1715 175.9333 83 P 4.1208 0.0000 0.0000 64.6357 31.8087 175.7829 84 G 4.0528 7.1479 105.8704 43.2007 0.0000 170.0167 85 P 4.3455 0.0000 0.0000 63.2851 32.3776 176.2024 86 L 4.2187 7.8087 117.7164 53.9860 41.8497 175.0817 87 E 4.9932 8.0549 118.5347 54.3201 33.1412 175.4498 88 L 4.2960 8.7877 126.6496 52.8762 43.6307 175.2903 89 D 4.4782 8.6973 124.9013 53.6793 41.6079 176.0280 90 L 4.5575 8.5287 126.0593 55.3983 41.7491 177.9919 91 T 4.2866 7.9567 108.5118 61.6366 70.0721 175.6204 92 G 4.0626 7.1510 112.2513 44.8544 0.0000 172.5094 93 D 4.3737 8.3930 122.3969 53.6807 41.3170 177.2325 94 L 3.4379 8.2061 126.9108 57.0891 42.5425 179.1843 95 E 3.9958 8.0228 118.4058 59.2021 29.6319 179.0432 96 S 4.2521 7.3490 113.3148 60.7110 62.8415 176.3995 97 F 4.6286 7.6438 119.7239 60.3019 38.3204 177.3402 98 K 4.2214 8.0792 117.1540 58.1717 32.0010 178.3158 99 K 4.4533 7.5761 116.8667 56.6677 32.8035 175.3876 100 Q 4.8783 7.3113 117.9017 54.7414 31.9526 174.0257 101 S 4.7449 8.0998 110.5853 58.3456 65.6657 174.2800 102 F 5.3333 8.8673 119.9163 56.1498 40.8651 175.0073 103 V 4.8307 8.7256 123.8339 61.4346 33.0796 174.5985 104 L 4.5012 8.5074 129.1311 52.7617 45.2882 175.3656 105 K 4.1042 6.0064 127.3541 55.3402 33.3819 175.8927 106 E 4.0771 7.8348 124.8820 57.3205 29.7587 177.4418 107 G 4.0717 8.6582 110.8720 45.5402 0.0000 174.3996 108 V 3.9148 7.2034 113.9174 61.4982 32.5308 175.9031 109 E 4.9425 8.9197 124.4155 56.8530 30.4338 175.4949 110 Y 5.3649 8.8067 118.6852 57.4356 41.7494 173.2483 111 R 4.7936 8.5503 118.7035 54.4950 34.4826 174.7478 112 I 4.7616 8.4457 122.2974 59.7280 39.4217 174.7879 113 K 4.6138 9.2979 130.4358 55.1727 33.6479 175.2904 114 I 4.6364 8.6982 129.8364 59.8950 39.0144 175.0704 115 S 5.0567 8.9760 125.6093 57.5458 64.0676 173.7859 116 F 5.2833 8.5733 119.0715 55.3173 42.1074 173.1269 117 R 4.7230 9.1308 119.7878 54.4894 33.0985 174.1971 118 V 4.7800 8.6512 125.9651 61.9570 33.0092 175.3697 119 N 4.4220 9.6597 126.5058 55.9436 38.5249 176.3336 120 R 4.4401 8.2518 113.5086 57.3158 32.1854 176.1229 121 E 4.7752 7.9270 114.4218 54.1450 32.0558 175.5760 122 I 4.1967 8.2316 122.1334 61.4734 38.0585 175.5170 123 V 4.4895 9.0295 127.9112 61.1696 33.5084 174.5255 124 S 5.1921 8.2650 122.3276 56.8795 65.7239 171.2919 125 G 3.9685 8.4776 112.3589 44.3239 0.0000 172.0700 *127 K 4.0761 8.1637 122.7207 56.2049 34.1159 173.5205 128 Y 5.2411 8.9690 128.1819 56.1749 41.1624 174.0626 129 I 4.8375 8.3376 127.9653 59.5818 40.2858 174.8117 130 E 4.9525 9.0957 124.8625 54.8975 33.8298 174.2558 131 H 5.2107 8.9103 120.8294 54.4747 31.9773 172.8518 132 T 5.0773 8.5444 120.7727 62.5207 70.7203 173.7676 133 Y 5.2275 9.3204 122.2862 56.2161 42.2108 174.5872 134 R 4.5619 8.7687 122.4781 54.9531 33.4628 175.4592 135 K 3.8585 9.8398 126.0815 57.4093 29.8830 175.0033 136 G 4.1691 8.5925 106.6880 45.0156 0.0000 174.3778 137 V 4.3444 7.5085 112.5128 58.8939 33.4966 175.1202 138 K 3.6363 8.3001 125.4404 56.4137 31.9529 176.2680 139 I 4.3838 7.9149 119.3364 60.8824 38.8392 174.8960 140 D 4.6505 7.4447 121.2641 53.3854 44.7687 174.0128 141 K 4.9155 8.2004 121.5591 55.2219 35.8488 176.0030 142 T 4.4468 9.3979 121.8558 61.7444 72.3123 172.6799 143 D 5.0334 8.4854 125.6228 52.7674 42.9586 175.7623 144 Y 4.7561 8.5679 121.2566 57.7051 41.6682 177.4033 *146 V 2.9646 8.6976 120.5565 62.8493 33.2867 175.4310 147 G 3.7307 8.0543 102.7151 44.0832 0.0000 171.4081 148 S 4.9470 8.3264 114.1232 57.4151 64.7650 173.1590 149 Y 4.7823 9.2459 122.8811 56.0827 40.7708 175.9042 150 G 4.4684 8.8202 111.6609 44.1108 0.0000 171.5345 151 P 4.7998 0.0000 0.0000 63.1484 31.8845 175.6427 152 R 4.4093 8.1633 116.9609 55.6941 33.3582 174.8065 153 A 4.0837 8.5839 126.2200 54.7460 18.8531 178.2299 154 E 3.9878 7.6957 115.7756 55.4063 30.3809 175.8560 155 E 3.9090 8.3374 126.4013 56.6609 30.7489 175.1192 156 Y 4.5977 8.5385 121.2594 56.1991 40.9689 175.0630 157 E 4.7391 8.5852 120.5988 54.8127 32.9314 174.7035 158 F 4.9847 9.4580 128.7184 56.8760 41.0516 174.3087 159 L 4.7821 7.9913 126.2556 53.1241 43.2884 176.5976 160 T 3.9182 7.4605 113.7837 59.7912 70.2399 172.8167 161 P 4.3699 0.0000 0.0000 61.9606 32.0069 176.6094 162 V 3.5920 8.2100 120.2418 63.7199 31.8111 175.0553 163 E 4.7532 8.9662 127.0245 54.5351 33.0325 174.6131 164 E 5.2866 8.4019 119.3993 54.3927 32.9823 175.9846 165 A 4.5660 9.3078 125.9211 51.0659 19.7170 175.5994 166 P 4.6710 0.0000 0.0000 62.8595 32.8869 175.0078 167 K 4.6795 8.6586 121.2297 54.4850 35.4576 174.1053 168 G 4.0573 8.9791 111.2057 44.8231 0.0000 176.9888 *170 L 4.2551 8.6200 124.9899 53.7787 43.1104 176.6166 171 A 4.7153 7.8760 120.0733 52.2919 20.5614 177.4155 172 R 4.3432 8.0158 114.3636 55.8372 31.3186 176.5830 173 G 3.8683 7.6383 106.7694 44.0159 0.0000 171.8461 174 S 4.9141 7.9622 116.2826 57.6259 64.0251 173.7115 175 Y 4.9029 8.8226 121.0673 56.4724 42.2744 175.0715 176 S 4.7575 8.9939 116.1260 57.7691 67.4914 173.4735 177 I 4.6058 8.5627 126.8209 59.5317 39.3485 175.1153 178 K 4.7158 8.7916 126.8940 55.0751 33.5187 175.6618 179 S 4.7911 8.4069 122.0254 57.3552 65.2451 174.1656 180 R 4.8841 8.3978 121.0695 54.8705 34.2788 173.8107 181 F 5.2513 9.5859 127.6979 57.3379 40.7028 174.2883 182 T 5.2887 8.8139 122.0307 60.2436 71.4452 170.5618 183 D 5.1785 7.9534 117.5240 52.7810 41.3307 174.6064 184 D 4.3177 8.3350 117.3221 58.0941 40.8347 177.7495 185 D 4.7213 8.2530 115.5800 53.3675 40.9090 176.0890 186 K 3.9836 7.5842 116.7524 56.4884 30.4815 175.7837 187 T 4.0558 7.5887 114.7124 63.5567 69.0434 174.3864 188 D 4.5538 8.2519 126.0499 52.9608 39.8761 175.2682 189 H 4.4117 8.7373 121.5903 58.0860 29.5007 176.0262 190 L 4.6767 7.4454 116.6456 54.5889 45.1165 173.3473 191 S 5.5384 9.1616 121.0237 56.7938 66.4369 173.1493 192 W 5.3501 8.7502 119.3892 55.5572 31.8804 172.6911 193 E 5.3563 9.2023 121.8913 54.2715 31.4939 174.8936 194 W 5.4392 9.0832 122.8274 54.9817 32.3590 173.6360 195 N 5.3382 8.8595 117.7756 51.6123 41.4635 173.6680 196 L 5.2844 8.4412 123.2498 53.9526 45.5012 175.2340 197 T 5.0344 9.1375 124.6767 62.1699 70.5192 173.9344 198 I 4.7094 8.7568 128.7940 60.3607 38.7134 175.5210 199 K 4.8741 8.4670 125.4803 54.2063 36.0104 177.8745 200 K 4.0591 8.7178 120.2899 59.2454 32.1257 177.3755 201 D 4.8228 7.4704 114.9229 51.8284 44.9704 175.4944 202 W 4.2519 8.8883 120.7463 58.3422 29.3333 176.5183 203 K 4.2088 8.2815 122.4329 56.9142 32.6374 174.3634 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 59 V 8.05 3.92 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 0.88 0.00 0.00 0.93 0.00 0.00 60 A 7.79 4.34 1.26 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 0.00 0.00 0.00 61 V 8.98 3.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 62 S 8.70 4.30 0.00 3.90 3.91 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 63 A 7.46 4.71 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.48 4.69 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.08 0.00 2.18 2.10 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 66 N 7.41 4.37 0.00 2.94 2.91 0.00 0.00 6.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.05 4.18 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 0.69 0.00 0.00 0.95 0.00 0.00 68 P 0.00 4.47 0.00 2.22 2.04 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 69 N 8.96 4.53 0.00 2.87 2.89 0.00 0.00 6.44 7.71 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 70 V 7.88 4.96 2.17 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 0.93 0.00 0.00 0.97 0.00 0.00 71 V 8.66 4.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 72 V 8.38 3.99 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 0.45 0.00 0.00 0.66 0.00 0.00 73 T 8.83 4.22 4.15 0.00 0.00 0.00 0.00 0.00 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 74 G 7.14 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 0.00 0.00 0.00 75 L 7.94 5.28 0.00 1.69 1.26 1.05 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.69 4.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 77 L 7.97 4.76 0.00 1.19 1.49 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.86 3.88 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 0.87 0.00 0.00 0.88 0.00 0.00 79 C 8.33 4.68 0.00 3.10 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.07 4.14 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.14 0.00 4.27 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 82 A 6.99 2.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.12 0.00 2.04 1.94 0.00 2.47 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 84 G 7.15 4.05 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 0.00 0.00 0.00 85 P 0.00 4.35 0.00 2.15 2.02 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 86 L 7.81 4.22 0.00 1.25 0.94 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.05 4.99 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 88 L 8.79 4.30 0.00 1.22 0.95 0.55 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.70 4.48 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 4.56 0.00 1.27 1.27 -0.53 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.96 4.29 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 1.15 0.00 0.00 92 G 7.15 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.39 4.37 0.00 2.53 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 94 L 8.21 3.44 0.00 1.72 1.70 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.02 4.00 0.00 1.92 1.95 0.00 0.00 0.00 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 2.22 0.00 96 S 7.35 4.25 0.00 4.01 4.07 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 97 F 7.64 4.63 0.00 3.38 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.08 4.22 0.00 1.90 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.56 7.81 99 K 7.58 4.45 0.00 1.70 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 100 Q 7.31 4.88 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 101 S 8.10 4.74 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.87 5.33 0.00 3.36 3.02 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 0.00 103 V 8.73 4.83 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 0.82 0.00 0.00 1.05 0.00 0.00 104 L 8.51 4.50 0.00 1.71 1.25 1.01 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 105 K 6.01 4.10 0.00 0.79 0.74 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.27 7.81 106 E 7.83 4.08 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.17 0.00 107 G 8.66 4.07 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 0.00 108 V 7.20 3.91 2.30 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 0.82 0.00 0.00 1.10 0.00 0.00 109 E 8.92 4.94 0.00 1.93 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 0.00 2.35 2.36 0.00 110 Y 8.81 5.36 0.00 3.06 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 0.00 111 R 8.55 4.79 0.00 1.70 1.71 0.00 3.02 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 112 I 8.45 4.76 1.88 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 1.06 0.00 0.00 113 K 9.30 4.61 0.00 1.71 1.60 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.34 7.81 114 I 8.70 4.64 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.19 0.62 0.00 0.00 115 S 8.98 5.06 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.57 5.28 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 9.13 4.72 0.00 1.87 1.79 0.00 3.02 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 118 V 8.65 4.78 2.62 0.00 0.00 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 0.00 0.00 1.25 0.00 0.00 119 N 9.66 4.42 0.00 2.72 2.88 0.00 0.00 6.90 7.54 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 0.00 120 R 8.25 4.44 0.00 1.81 1.97 0.00 3.20 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 121 E 7.93 4.78 0.00 2.18 1.89 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 2.26 2.27 0.00 122 I 8.23 4.20 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 0.94 0.00 0.00 123 V 9.03 4.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.05 0.00 0.00 124 S 8.26 5.19 0.00 4.04 3.96 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 0.00 125 G 8.48 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.16 4.08 0.00 1.76 1.59 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 128 Y 8.97 5.24 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.34 4.84 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.75 0.00 0.00 130 E 9.10 4.95 0.00 1.86 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 2.16 2.10 0.00 131 H 8.91 5.21 0.00 3.17 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.54 5.08 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 133 Y 9.32 5.23 0.00 2.92 2.79 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 0.00 0.00 0.00 0.00 134 R 8.77 4.56 0.00 1.62 1.65 0.00 2.98 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 135 K 9.84 3.86 0.00 1.82 1.79 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.32 7.81 136 G 8.59 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.51 4.34 2.04 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 0.71 0.00 0.00 1.00 0.00 0.00 138 K 8.30 3.64 0.00 0.79 1.35 0.00 1.46 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.00 0.55 7.81 139 I 7.91 4.38 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.93 0.00 0.00 140 D 7.44 4.65 0.00 2.66 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.20 4.92 0.00 1.50 1.46 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.51 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.72 1.14 7.81 142 T 9.40 4.45 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 143 D 8.49 5.03 0.00 2.43 2.49 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 0.00 144 Y 8.57 4.76 0.00 3.27 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *146 V 8.70 2.96 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.11 0.00 0.00 147 G 8.05 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.33 4.95 0.00 3.71 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 9.25 4.78 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.82 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.31 2.14 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 152 R 8.16 4.41 0.00 1.74 1.69 0.00 2.67 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 153 A 8.58 4.08 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.70 3.99 0.00 1.81 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 155 E 8.34 3.91 0.00 1.86 1.65 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 2.15 2.19 0.00 156 Y 8.54 4.60 0.00 1.43 1.72 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 0.00 157 E 8.59 4.74 0.00 1.79 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 158 F 9.46 4.98 0.00 3.43 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.99 4.78 0.00 1.34 1.34 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.46 3.92 3.69 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 0.00 0.00 0.00 0.62 0.00 0.00 161 P 0.00 4.37 0.00 2.14 2.06 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 162 V 8.21 3.59 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 0.74 0.00 0.00 0.90 0.00 0.00 163 E 8.97 4.75 0.00 1.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 164 E 8.40 5.29 0.00 1.82 1.86 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 2.22 2.27 0.00 165 A 9.31 4.57 1.26 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 0.00 0.00 0.00 166 P 0.00 4.67 0.00 2.15 2.16 0.00 3.57 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 167 K 8.66 4.68 0.00 1.73 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.30 1.56 7.81 168 G 8.98 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 L 8.62 4.26 0.00 1.67 1.79 0.92 0.68 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 0.00 171 A 7.88 4.72 1.36 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 0.00 0.00 0.00 172 R 8.02 4.34 0.00 1.82 1.95 0.00 3.19 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 173 G 7.64 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.96 4.91 0.00 3.69 3.77 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 0.00 0.00 0.00 175 Y 8.82 4.90 0.00 3.06 2.75 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 0.00 176 S 8.99 4.76 0.00 3.69 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 0.00 177 I 8.56 4.61 0.56 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.79 0.00 0.00 178 K 8.79 4.72 0.00 1.76 1.70 0.00 1.26 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.13 7.81 179 S 8.41 4.79 0.00 2.72 3.21 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 0.00 180 R 8.40 4.88 0.00 1.63 1.78 0.00 2.92 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 181 F 9.59 5.25 0.00 3.57 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.81 5.29 4.24 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 0.00 0.00 0.00 1.20 0.00 0.00 183 D 7.95 5.18 0.00 2.98 2.71 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 0.00 184 D 8.33 4.32 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 D 8.25 4.72 0.00 2.66 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 0.00 186 K 7.58 3.98 0.00 1.89 1.86 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.48 7.81 187 T 7.59 4.06 4.04 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 1.11 0.00 0.00 188 D 8.25 4.55 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.74 4.41 0.00 3.70 3.55 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.45 4.68 0.00 1.90 1.91 0.79 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 191 S 9.16 5.54 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.75 5.35 0.00 3.66 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.20 5.36 0.00 1.99 1.93 0.00 0.00 0.00 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 2.25 0.00 194 W 9.08 5.44 0.00 3.34 3.13 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 0.00 195 N 8.86 5.34 0.00 2.83 2.85 0.00 0.00 6.28 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.44 5.28 0.00 1.61 1.48 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 197 T 9.14 5.03 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 198 I 8.76 4.71 2.02 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 1.43 1.01 0.98 0.00 0.00 199 K 8.47 4.87 0.00 1.69 1.63 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.38 7.81 200 K 8.72 4.06 0.00 1.72 1.84 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 201 D 7.47 4.82 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.89 4.25 0.00 3.27 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.21 0.00 1.91 1.81 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.