NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5118 8.1633 120.6180 55.5030 34.2305 173.7063 2 I 4.7843 8.2617 125.7787 59.7517 39.3872 173.2869 3 S 5.3625 9.9726 123.0163 56.9171 68.1107 172.5871 4 L 5.4281 8.8097 122.1942 53.0949 44.7869 175.3698 5 I 5.2925 8.8296 122.0681 59.5190 40.9623 174.2246 6 A 4.8557 9.0042 128.3120 50.9535 23.0616 174.5663 7 A 4.9189 8.6532 122.1042 50.2083 20.9784 176.2565 8 L 4.7405 9.0309 123.4822 53.0707 44.5625 176.8186 9 A 4.8399 8.1581 127.0293 49.9265 21.3123 176.0890 10 V 3.7300 7.6519 115.9346 64.7371 31.8971 177.1097 11 D 4.8265 8.7683 125.2216 53.5128 38.4901 174.3900 12 R 3.9074 7.5728 116.9019 57.1668 28.0170 176.3090 13 V 4.1544 7.6264 117.3145 62.3995 32.5567 175.8725 14 I 4.4618 8.4196 119.8278 60.5341 39.9569 174.6453 15 G 3.7996 8.1244 105.1158 43.6794 0.0000 171.5554 *21 P 4.2237 0.0000 0.0000 61.6854 33.0777 176.7275 22 W 4.8617 6.5954 112.1683 54.9081 30.0434 175.5578 23 N 4.9726 8.6481 117.3804 51.3778 37.9761 172.1230 24 L 4.8190 7.7971 121.9018 51.5088 41.2865 173.7980 25 P 4.2213 0.0000 0.0000 65.5038 31.3989 177.7107 26 A 4.0377 8.3142 119.4752 55.0204 18.2558 179.2190 27 D 4.4026 7.6039 116.0106 57.6957 41.4372 178.0675 28 L 4.0582 8.1805 119.3834 58.0130 41.6209 179.2525 29 A 4.2368 8.1792 119.6077 53.9221 18.1909 179.4187 30 W 4.0039 7.9635 127.7757 60.1600 30.6403 177.9736 31 F 4.1026 8.5614 120.7123 61.2328 38.8797 176.5977 32 K 3.5942 7.9621 118.7747 59.8236 31.7581 178.3509 33 R 3.7381 7.6408 117.7827 59.2646 29.9339 177.3890 34 N 4.2073 7.0849 112.8897 53.5224 38.7264 175.6615 35 T 4.0434 6.8861 108.7574 60.7893 70.2963 174.1899 36 L 3.8686 7.2436 125.1131 56.5015 42.2976 175.8057 37 D 4.4390 9.3475 124.7248 54.9134 39.9199 173.0923 38 K 4.6915 7.3919 113.3759 53.5809 37.2614 174.0582 39 P 4.7006 0.0000 0.0000 62.6482 33.0037 175.8632 40 V 4.6947 8.1572 116.4651 59.7070 35.0622 174.5305 41 I 4.7711 9.2272 128.5266 59.9443 38.7883 174.9479 42 M 5.0029 8.6555 123.8928 53.2858 35.1453 174.9977 43 G 4.1787 8.5545 107.0355 45.3365 0.0000 174.9423 44 R 4.1830 8.8094 120.4648 59.7218 29.9605 178.6114 45 H 4.3609 8.2166 115.5440 58.8279 28.9496 177.5546 46 T 4.2673 7.9070 118.4763 66.0406 68.3312 175.5992 47 W 4.3931 8.4244 129.9854 61.2291 30.3695 177.6518 48 E 3.7291 8.2111 118.5177 59.4021 29.4260 179.4555 49 S 4.2159 8.3718 114.5930 61.0903 62.9714 176.7738 50 I 3.6135 7.7640 123.3727 63.3994 37.0635 177.7778 51 G 3.6193 9.0199 106.7467 45.3320 0.0000 173.2419 52 R 4.6007 7.0206 113.2618 53.6850 32.2615 172.8919 53 P 4.6484 0.0000 0.0000 63.1093 31.8276 176.3111 54 L 4.2840 8.8342 123.1498 53.5091 42.1893 175.5211 55 P 4.2740 0.0000 0.0000 64.0426 32.0943 176.4184 56 G 3.8936 10.1167 108.2649 45.7178 0.0000 172.5605 57 R 4.9189 7.3781 115.5178 54.5181 34.4033 174.5397 58 K 4.3577 8.0919 121.5739 55.6898 34.1434 175.6003 59 N 4.7214 8.5189 121.8641 52.2719 40.3673 174.0102 60 I 4.7261 8.4498 124.2799 59.3523 41.0718 174.3813 61 I 4.4658 8.9736 127.9262 59.3627 39.4235 174.5180 62 L 4.7740 8.8171 130.5242 53.7861 42.2554 175.2171 63 S 4.8628 9.1503 120.8623 56.7070 65.9948 174.9965 64 S 4.1315 8.9704 119.7746 60.9839 63.3834 174.6777 65 Q 4.3664 7.6882 118.5628 53.0772 30.0588 173.0391 66 P 4.2982 0.0000 0.0000 62.2547 32.0374 176.0382 67 G 2.0000 7.3038 108.2857 44.1339 0.0000 173.2695 68 T 4.4327 6.5720 107.3868 59.8314 68.6912 174.5717 69 D 4.4424 7.7113 118.3393 55.3124 43.2141 174.3266 70 D 4.7617 8.8728 126.4779 55.2340 41.3887 177.9489 71 R 4.0963 8.6610 118.9058 58.0995 30.2866 175.9142 72 V 4.4054 7.2994 109.0098 59.6502 35.4519 174.4211 73 T 4.4736 7.9753 117.4508 62.1525 70.2456 174.2404 74 W 4.8917 8.7724 126.1498 55.2008 30.8699 176.0169 75 V 4.5971 9.3557 118.4806 59.7022 34.4650 176.9455 76 K 4.5965 9.5517 122.5477 57.2746 32.9072 176.9726 77 S 4.6756 7.4724 110.6605 55.4770 67.4823 175.1279 78 V 3.3681 8.1512 120.4885 66.4146 31.2113 177.6158 79 D 4.3671 7.9933 117.9685 57.2868 40.6412 178.2981 80 E 3.9770 8.3105 119.7207 58.8530 29.3856 178.2423 81 A 4.0367 8.2979 120.5460 55.5292 18.7417 179.0940 82 I 3.8291 8.0872 117.3617 64.8472 36.9700 178.3346 83 A 4.0125 8.1759 120.8718 55.4041 17.9634 179.5042 84 A 3.8257 8.0463 117.8242 54.9987 18.4334 178.6655 85 C 4.1817 7.7763 114.6776 60.6931 29.4680 175.2894 86 G 4.0226 7.4974 106.5279 46.1261 0.0000 175.9480 87 D 4.8799 8.4179 115.9772 51.8786 40.6665 175.0983 88 V 4.5638 7.5019 114.3289 58.3476 35.3401 174.4588 89 P 4.4139 0.0000 0.0000 65.1457 31.6937 176.3749 90 E 4.9933 7.8179 117.7632 54.3201 32.9481 174.5063 91 I 4.4926 8.5478 126.7525 59.7806 40.1744 174.2226 92 M 4.7787 8.7669 126.7253 53.7396 34.3406 175.2042 93 V 4.5509 8.8640 124.7404 61.5535 32.7441 175.6483 94 I 4.4826 8.5573 121.6396 59.9313 38.6587 175.3406 95 G 3.4555 7.7973 110.2995 43.5083 0.0000 174.8964 96 G 4.4179 8.1430 120.1050 45.1580 0.0000 173.1836 97 G 4.5071 7.0802 116.0633 45.6906 0.0000 175.5846 98 R 4.1482 7.9512 116.8162 58.3577 30.6530 179.4767 99 V 3.7645 7.7416 117.5541 66.2565 31.6020 177.5307 100 Y 4.4339 8.0511 116.0391 61.1404 37.5454 177.9688 101 E 3.9277 8.7176 119.2984 59.4942 29.9220 178.4887 102 Q 4.1899 8.1344 115.1015 57.3552 29.1528 177.1799 103 F 4.5507 8.0782 118.0775 58.2588 39.9349 177.6790 104 L 4.0340 8.3051 121.0958 57.9728 41.7598 177.3022 105 P 4.5613 0.0000 0.0000 64.1413 31.3998 176.8750 106 K 4.5131 8.2276 115.3119 55.7688 33.3322 176.2658 107 A 4.6495 7.9695 122.5520 52.2797 19.2178 177.3285 108 Q 4.7157 9.2392 118.3202 55.7851 32.0362 175.4981 109 K 5.3922 8.2279 119.0600 54.7995 36.3491 174.6651 110 L 5.2140 9.0930 125.1176 53.1016 45.7908 175.2849 111 Y 5.1816 9.1004 119.7934 56.5061 40.8922 174.4882 112 L 5.3323 9.5469 124.7712 53.0546 45.6749 175.8719 113 T 4.7381 8.7980 119.5461 62.1049 71.1657 172.8762 114 H 4.7429 8.9387 127.9559 54.8986 31.0524 173.4026 115 I 4.3566 8.6806 128.9018 59.7341 39.0595 175.3587 116 D 4.9466 8.7154 127.4231 53.2737 40.1312 174.0421 117 A 4.6020 7.8629 122.9232 50.6435 23.0039 174.8258 118 E 4.5731 8.9588 123.2093 55.5596 30.4091 176.2484 119 V 4.4407 8.1289 122.0911 61.3720 34.7647 173.8667 120 E 4.5651 8.7538 124.0842 54.6626 30.1760 175.6164 121 G 4.2458 8.3085 113.8745 44.2268 0.0000 172.1447 *122 D 4.4567 8.8238 118.2868 56.1423 40.3029 177.4288 123 T 4.7862 7.6675 116.4236 62.4037 70.7228 173.5870 124 H 5.4581 8.7735 120.2337 54.0221 32.3120 173.0924 125 F 4.7589 8.9062 122.9079 56.4327 40.3393 174.0517 126 P 4.2716 0.0000 0.0000 63.2570 31.7570 176.3927 127 D 4.6801 8.5572 120.2910 52.9807 40.2688 176.5668 128 Y 4.8624 8.5587 122.7114 54.5035 40.0061 174.6317 129 E 4.6040 8.7249 121.6436 54.7172 30.8726 175.1960 130 P 4.3605 0.0000 0.0000 66.0655 31.6024 177.7645 131 D 4.7760 8.1884 113.3036 55.4510 40.7404 176.1781 132 D 4.7864 10.0923 120.3025 53.9516 43.7302 176.1315 133 W 5.1093 8.0897 115.2814 54.6405 32.5378 174.9790 134 E 4.7699 9.2602 123.0266 54.4599 32.0892 174.7639 135 S 4.9105 8.9253 121.9663 58.2745 62.4079 173.6498 136 V 4.4568 8.6728 120.4872 61.5362 33.3640 175.9353 137 F 5.0792 7.9521 121.8930 57.0451 43.1114 173.1353 138 S 4.6574 7.3752 118.9331 57.2505 67.0895 173.3601 139 E 4.2504 8.7981 125.1263 54.5551 32.7480 173.8280 140 F 4.6054 8.7103 125.9167 56.8753 40.3810 175.0029 141 H 4.6619 8.5100 119.4831 53.8867 32.8744 172.8288 142 D 4.8826 8.4546 120.5020 53.4513 42.0185 176.0620 143 A 4.6594 8.4020 122.4386 52.8092 19.5193 176.5628 144 D 4.4634 8.8513 116.9711 52.8560 42.0666 174.5789 145 A 4.1544 8.9298 121.0979 55.7526 18.3145 178.8392 146 Q 4.3003 8.2346 112.0396 56.7098 30.1353 175.5530 147 N 5.1834 9.0484 116.4384 50.3803 39.5430 175.9378 148 S 4.4863 8.8212 118.8341 60.8737 63.3012 173.6517 149 H 5.0686 7.7828 116.4226 53.9307 32.9858 173.2263 150 S 4.6229 8.6549 115.0213 58.6479 64.8198 172.2859 151 Y 5.1341 8.1520 118.6692 56.0837 42.0119 173.0367 152 C 4.4952 8.4291 119.1195 57.5725 35.5094 172.4121 153 F 4.9179 8.2051 124.8574 56.2872 40.2943 174.5268 154 E 5.4867 9.2963 123.8512 53.3987 33.6859 173.8916 155 I 5.0395 8.6939 125.3168 59.5042 40.5963 174.2701 156 L 5.4493 8.7214 126.0790 52.9902 45.1801 175.1734 157 E 5.3375 8.9719 122.5801 54.2728 32.4820 175.3385 158 R 3.4120 8.4359 125.6935 56.1014 30.5483 176.4865 159 R 4.2168 8.4098 123.2189 56.2631 29.3666 176.2842 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 1 M 8.16 4.51 0.00 2.34 2.03 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 2 I 8.26 4.78 2.18 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 1.06 0.00 0.00 3 S 9.97 5.36 0.00 3.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.81 5.43 0.00 1.77 1.70 1.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.83 5.29 1.78 0.00 0.00 0.59 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 1.11 1.02 0.00 0.00 6 A 9.00 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.65 4.92 1.19 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 0.00 0.00 8 L 9.03 4.74 0.00 1.39 1.19 0.60 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.16 4.84 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 0.00 0.00 0.00 0.00 0.00 10 V 7.65 3.73 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 0.84 0.00 0.00 1.03 0.00 0.00 11 D 8.77 4.83 0.00 2.89 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 12 R 7.57 3.91 0.00 2.20 2.18 0.00 3.38 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 13 V 7.63 4.15 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 1.06 0.00 0.00 0.92 0.00 0.00 14 I 8.42 4.46 2.08 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 1.11 0.00 0.00 15 G 8.12 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 0.00 0.00 0.00 *21 P 0.00 4.22 0.00 1.39 1.89 0.00 2.29 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.62 0.00 22 W 6.60 4.86 0.00 3.16 3.15 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 0.00 23 N 8.65 4.97 0.00 2.80 2.77 0.00 0.00 7.49 6.20 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 24 L 7.80 4.82 0.00 1.66 1.44 0.95 0.54 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 25 P 0.00 4.22 0.00 2.17 2.14 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 26 A 8.31 4.04 1.11 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 0.00 0.00 0.00 0.00 0.00 27 D 7.60 4.40 0.00 2.60 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 28 L 8.18 4.06 0.00 1.93 1.79 0.95 0.86 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 29 A 8.18 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 7.96 4.00 0.00 2.92 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 31 F 8.56 4.10 0.00 3.18 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 32 K 7.96 3.59 0.00 2.08 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 33 R 7.64 3.74 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 34 N 7.08 4.21 0.00 1.94 1.85 0.00 0.00 6.87 7.42 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 35 T 6.89 4.04 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 0.44 0.00 0.00 36 L 7.24 3.87 0.00 1.71 1.50 0.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.35 4.44 0.00 2.72 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 38 K 7.39 4.69 0.00 1.70 1.63 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.45 7.81 39 P 0.00 4.70 0.00 1.99 1.89 0.00 3.61 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 2.05 2.06 0.00 40 V 8.16 4.69 2.02 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 0.61 0.00 0.00 0.92 0.00 0.00 41 I 9.23 4.77 1.40 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.47 0.73 0.00 0.00 42 M 8.66 5.00 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 43 G 8.55 4.18 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 0.00 44 R 8.81 4.18 0.00 1.98 1.98 0.00 3.81 0.00 0.00 3.47 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 45 H 8.22 4.36 0.00 3.23 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.91 4.27 4.41 0.00 0.00 0.00 0.00 0.00 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 47 W 8.42 4.39 0.00 3.27 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 48 E 8.21 3.73 0.00 2.14 1.96 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 2.38 2.53 0.00 49 S 8.37 4.22 0.00 3.94 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 50 I 7.76 3.61 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.88 0.00 0.00 51 G 9.02 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.02 4.60 0.00 1.90 1.79 0.00 3.21 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 53 P 0.00 4.65 0.00 2.14 2.11 0.00 3.79 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 2.17 2.43 0.00 54 L 8.83 4.28 0.00 1.77 1.64 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.27 0.00 2.17 2.06 0.00 3.84 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 1.99 1.97 0.00 56 G 10.12 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 57 R 7.38 4.92 0.00 1.60 1.71 0.00 3.12 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 58 K 8.09 4.36 0.00 1.71 1.65 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.35 7.81 59 N 8.52 4.72 0.00 2.51 2.53 0.00 0.00 6.91 7.49 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 60 I 8.45 4.73 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.83 0.00 0.00 61 I 8.97 4.47 0.58 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 0.58 0.00 0.00 62 L 8.82 4.77 0.00 1.67 1.80 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.15 4.86 0.00 4.16 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.97 4.13 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.69 4.37 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 66 P 0.00 4.30 0.00 1.94 1.93 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 67 G 7.30 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 6.57 4.43 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 1.00 0.00 0.00 69 D 7.71 4.44 0.00 3.05 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 70 D 8.87 4.76 0.00 2.76 2.73 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 71 R 8.66 4.10 0.00 2.25 2.07 0.00 3.18 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 72 V 7.30 4.41 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 -0.25 0.00 0.00 73 T 7.98 4.47 4.11 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 0.00 0.00 1.18 0.00 0.00 74 W 8.77 4.89 0.00 3.11 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 75 V 9.36 4.60 2.12 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 0.75 0.00 0.00 1.05 0.00 0.00 76 K 9.55 4.60 0.00 1.77 1.88 0.00 1.80 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 77 S 7.47 4.68 0.00 3.93 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 78 V 8.15 3.37 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.44 0.00 0.00 79 D 7.99 4.37 0.00 2.72 2.70 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 80 E 8.31 3.98 0.00 2.09 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 0.00 2.33 2.34 0.00 81 A 8.30 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.09 3.83 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.96 0.00 0.00 83 A 8.18 4.01 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 0.00 0.00 0.00 0.00 0.00 84 A 8.05 3.83 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.78 4.18 0.00 3.30 2.98 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 0.00 86 G 7.50 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 87 D 8.42 4.88 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.50 4.56 2.06 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 0.74 0.00 0.00 0.90 0.00 0.00 89 P 0.00 4.41 0.00 2.16 2.16 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 90 E 7.82 4.99 0.00 1.92 1.74 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 0.00 2.18 2.36 0.00 91 I 8.55 4.49 1.85 0.00 0.00 0.88 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 0.52 0.80 0.00 0.00 92 M 8.77 4.78 0.00 1.74 1.79 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 93 V 8.86 4.55 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 0.76 0.00 0.00 0.40 0.00 0.00 94 I 8.56 4.48 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.95 0.00 0.00 95 G 7.80 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.14 4.42 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 0.00 0.00 0.00 97 G 7.08 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 4.15 0.00 1.89 2.05 0.00 3.34 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 99 V 7.74 3.76 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 1.03 0.00 0.00 1.02 0.00 0.00 100 Y 8.05 4.43 0.00 3.23 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.72 3.93 0.00 2.24 2.16 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 2.35 2.37 0.00 102 Q 8.13 4.19 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 103 F 8.08 4.55 0.00 3.27 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 0.00 104 L 8.31 4.03 0.00 1.92 1.76 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.56 0.00 2.09 2.14 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 106 K 8.23 4.51 0.00 1.90 1.92 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.37 7.81 107 A 7.97 4.65 1.57 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 0.00 0.00 0.00 108 Q 9.24 4.72 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 109 K 8.23 5.39 0.00 1.88 1.67 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.23 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.06 1.53 7.81 110 L 9.09 5.21 0.00 1.17 1.11 -0.48 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 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 0.00 136 V 8.67 4.46 2.16 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 0.76 0.00 0.00 1.06 0.00 0.00 137 F 7.95 5.08 0.00 3.11 2.83 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 0.00 138 S 7.38 4.66 0.00 3.54 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.80 4.25 0.00 1.43 1.66 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 2.11 2.26 0.00 140 F 8.71 4.61 0.00 2.70 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 0.00 141 H 8.51 4.66 0.00 1.40 2.51 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.45 4.88 0.00 2.50 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 0.00 143 A 8.40 4.66 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 0.00 144 D 8.85 4.46 0.00 2.71 2.70 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 0.00 145 A 8.93 4.15 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 0.00 146 Q 8.23 4.30 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 147 N 9.05 5.18 0.00 2.98 2.83 0.00 0.00 6.55 7.14 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 0.00 148 S 8.82 4.49 0.00 4.03 4.09 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 0.00 149 H 7.78 5.07 0.00 3.00 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.65 4.62 0.00 3.84 3.95 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 0.00 151 Y 8.15 5.13 0.00 2.62 2.81 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 0.00 0.00 0.00 152 C 8.43 4.50 0.00 2.48 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 0.00 153 F 8.21 4.92 0.00 2.71 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 0.00 0.00 0.00 154 E 9.30 5.49 0.00 1.81 1.66 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 2.26 2.18 0.00 155 I 8.69 5.04 1.95 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 1.41 1.16 0.51 0.00 0.00 156 L 8.72 5.45 0.00 1.50 1.80 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.97 5.34 0.00 1.98 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 2.26 2.26 0.00 158 R 8.44 3.41 0.00 1.11 1.50 0.00 2.41 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.15 0.00 159 R 8.41 4.22 0.00 1.78 1.85 0.00 3.16 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.