NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3176 8.3044 120.3139 54.6480 33.3989 174.5770 2 V 3.4826 8.0279 121.6782 62.6977 32.0310 173.7849 3 K 4.5791 9.3781 128.1729 54.5569 36.0862 174.2743 4 E 5.3495 8.5585 119.5750 54.7058 33.5340 175.3229 5 F 4.8503 9.5094 124.5327 56.5957 42.4550 173.2375 6 N 5.5736 8.3493 122.7913 52.0310 41.6129 173.4390 7 T 4.7188 8.8387 116.4446 61.7767 71.7449 171.5368 8 Q 5.1299 8.3744 119.1609 56.0276 31.3684 173.3371 9 T 4.7160 8.8104 113.2896 60.9650 71.4072 171.8447 10 E 5.1149 8.7761 126.5383 54.8038 31.3292 175.2078 11 L 4.8497 8.9659 124.6403 52.5530 44.7903 177.2464 12 S 4.6307 9.1008 120.4239 56.2501 61.4183 173.8529 13 V 4.5631 6.9322 112.9315 58.6271 36.3123 175.9476 14 R 4.2825 8.3747 121.0057 55.7126 31.7465 177.4176 15 L 3.9236 8.5786 124.8066 58.7871 42.1129 179.5128 16 E 4.1045 8.2064 117.4123 59.1721 29.4699 179.1402 17 A 4.0504 7.9506 120.6184 55.0156 18.5175 179.2977 18 L 3.9162 8.0255 118.9758 57.9431 42.1480 178.8619 19 W 4.3468 8.6877 128.5576 60.4735 30.5710 177.7202 20 A 3.8519 8.1931 120.8639 55.1812 17.6430 180.0599 21 V 3.5273 7.3718 115.8873 64.7241 31.6834 178.0572 22 L 3.9728 8.0414 120.7955 57.3822 42.0349 178.2973 23 S 4.4067 7.6479 112.0204 59.0902 63.6280 174.9796 24 K 4.3873 7.7484 117.2285 57.3416 36.0630 176.5177 25 D 4.6461 8.1225 116.3321 53.9376 40.8742 177.3699 26 F 4.4556 7.0866 115.3621 58.3909 38.6561 177.6297 27 I 3.6782 7.2023 122.5263 64.6157 36.7783 177.3112 28 T 4.1315 7.6875 109.2941 63.5102 69.5934 176.8510 29 V 3.4901 7.6415 121.8936 65.5204 31.5659 177.6052 30 V 3.7568 8.0577 118.1875 65.9786 31.1781 176.4231 31 P 4.4757 0.0000 0.0000 65.3339 31.2371 178.4953 32 K 4.2259 7.5756 116.8077 58.9662 32.1104 178.9799 33 V 4.2296 8.0582 110.7024 61.3852 33.1679 176.1103 34 L 4.9637 8.1081 119.1214 53.2988 41.8627 176.1372 35 P 4.4542 0.0000 0.0000 65.1333 32.0084 177.2821 36 H 4.5822 8.2226 113.2015 56.7668 29.4340 175.0181 37 I 4.1817 7.5683 118.8658 62.4598 39.2449 174.9007 38 V 4.8351 7.8198 119.6041 61.1565 32.5039 175.2661 39 K 4.3475 9.2585 130.3260 59.2354 32.6041 176.1975 40 D 4.6682 7.6937 116.7004 52.5484 42.6359 174.0105 41 V 4.4907 8.2104 118.7595 61.0859 34.0467 174.3710 42 Q 4.5932 8.8000 126.7861 53.8425 31.6018 174.4196 43 L 4.3239 8.4138 125.9698 55.0763 42.1960 175.7331 44 I 4.2657 8.6954 127.6597 62.8501 38.7561 175.8340 45 E 4.5297 8.0108 120.3999 56.0350 33.1489 175.5780 46 G 4.3535 9.2803 111.3426 45.3893 0.0000 172.6065 47 D 4.7114 8.3793 114.1477 52.9260 40.0951 175.9457 48 G 3.7738 8.3288 106.6815 46.5406 0.0000 176.0332 49 G 3.0833 8.0512 109.8805 43.6244 0.0000 172.8181 50 V 3.9443 8.0101 118.0949 64.5732 31.7091 176.8705 51 G 4.0071 8.9152 115.2677 45.2811 0.0000 173.7474 52 T 4.2841 7.7761 117.5969 63.6951 69.7064 173.3746 53 I 5.0487 8.7557 126.4510 59.5033 40.3018 174.6009 54 L 5.2317 9.1042 126.0330 52.9607 45.6092 175.3147 55 I 4.8100 8.3707 123.0278 59.6585 39.9269 174.5542 56 F 4.8340 9.2465 126.6155 56.0172 40.6277 174.5800 57 N 4.8376 8.7944 122.7651 52.1470 39.8961 175.5394 58 F 5.4185 8.6004 123.3899 56.1148 40.9341 175.6542 59 L 4.1923 8.6023 119.9938 54.4946 41.9760 177.1877 60 P 4.2498 0.0000 0.0000 65.9239 31.3881 177.6592 61 E 4.1377 8.1463 115.1460 57.5404 29.9422 176.5920 62 V 4.1882 8.0131 121.0219 61.1917 32.7192 174.6348 63 S 4.7637 8.2796 120.9223 55.4483 65.4023 172.1969 64 P 4.4494 0.0000 0.0000 62.8189 31.8165 176.2186 65 S 4.8958 8.8536 112.9507 58.8551 64.5120 172.4698 66 Y 4.7195 7.3098 118.3177 56.3787 41.4877 173.1241 67 Q 4.8100 8.7300 116.9202 54.6880 32.4752 173.5040 68 R 5.1374 9.2307 123.5882 54.9987 32.0894 174.7158 69 E 5.3294 9.4418 125.1731 54.5398 34.1729 174.1785 70 E 5.1579 9.0558 123.0512 54.3264 33.1437 174.9252 71 I 4.5958 9.0168 128.6218 61.8625 37.3903 176.3634 72 T 4.4309 9.0920 118.4823 62.0821 70.4961 174.7155 73 E 4.8715 8.1086 122.3662 54.5390 33.6070 174.1830 74 F 5.1421 8.7755 128.1344 57.4283 42.4643 172.8365 75 D 4.6949 9.4592 126.7650 52.5341 43.5839 175.6149 76 E 3.8083 9.2045 128.3533 59.1286 30.0652 179.0430 77 S 3.9890 8.0093 112.4239 60.3693 63.2767 174.7380 78 S 4.3201 8.1512 113.1253 57.1909 63.7852 173.3947 79 H 2.0000 6.7765 117.4872 56.9404 26.4085 173.7320 80 E 5.2733 7.8119 119.5032 54.4423 33.1574 175.2455 81 I 5.2091 9.2302 126.2641 59.4310 41.9492 173.7036 82 G 4.6198 9.4462 116.3696 44.3913 0.0000 171.5470 83 L 5.4079 9.2020 124.1103 52.8507 45.2877 175.1013 84 Q 4.8459 9.0665 125.7879 54.2055 31.2602 174.5503 85 V 4.3338 8.6304 127.6798 62.9417 31.5794 175.5042 86 I 4.4891 8.7787 121.0153 61.0062 39.4350 175.1751 87 E 4.4889 8.2648 122.5923 56.2145 33.1055 176.1017 88 G 3.5119 8.8445 113.2850 45.7401 0.0000 172.7249 89 G 3.5878 7.9204 110.0546 46.6621 0.0000 175.9950 90 Y 4.3050 7.7883 117.7907 60.6289 37.9789 178.2120 91 L 4.5054 7.5398 118.1704 56.9002 41.8141 178.0163 92 S 4.5364 8.1933 113.4184 58.9920 63.0389 174.9212 93 Q 4.7013 8.2541 119.1155 55.9356 29.0582 176.3992 94 G 4.1278 8.4840 106.2505 45.2979 0.0000 174.3370 95 L 4.4318 7.8776 120.6031 54.6241 42.4161 177.2790 96 S 4.7553 8.7529 116.8524 59.2459 64.6566 173.6660 97 Y 4.8418 7.8369 121.2661 56.6530 42.4015 172.8785 98 Y 5.0305 7.8068 126.2065 56.5953 42.4836 172.9526 99 K 4.9590 8.7203 127.4295 54.9800 36.5305 174.6898 100 T 4.8166 8.9023 122.6992 61.9585 71.7481 172.9637 101 T 5.0433 8.7845 123.0784 61.7306 71.7687 172.9497 102 F 5.3856 9.5035 125.3687 55.6367 42.0065 174.6591 103 K 5.1107 9.1988 123.5667 54.8182 35.3827 174.7418 104 L 5.4150 8.8626 127.6399 53.3273 43.9281 175.9386 105 S 4.6761 8.8761 115.7890 56.7797 67.1506 172.1546 106 E 4.5968 8.6645 122.0926 55.6273 29.8586 175.3790 107 I 4.1426 8.5666 127.9790 62.8933 38.3674 175.3146 108 E 4.7286 7.5362 116.8901 54.2570 33.7641 175.4419 109 E 4.0794 8.9430 119.9215 59.5262 29.2358 177.2856 110 D 5.1140 7.9971 116.8411 53.6629 43.0049 175.6294 111 K 4.9413 8.2300 118.0531 55.1439 36.2661 175.5060 112 T 5.0655 8.9832 122.1655 61.5171 71.8057 173.0185 113 L 4.7078 8.7600 128.8666 54.3855 43.9742 175.3249 114 V 4.8281 8.9302 126.6546 61.3377 33.8453 173.8789 115 N 5.2477 9.1776 126.6897 52.3401 40.3509 174.3785 116 V 4.6714 8.9406 123.8478 60.8742 34.4946 173.8684 117 K 5.0393 8.9691 129.6263 54.7147 34.7433 174.4153 118 I 4.7840 9.0956 128.7142 59.6432 39.7780 174.6194 119 S 5.4460 8.7842 123.6297 56.9540 65.4278 172.9060 120 Y 5.5472 8.6319 121.4456 56.3892 41.7334 172.9994 121 D 4.8624 9.1333 118.7099 53.9284 45.4816 173.9639 122 H 5.2214 8.3553 118.4653 52.9026 31.9686 172.8580 *130 V 3.6716 8.1755 119.4448 63.6078 31.8134 175.8533 131 T 4.5175 7.7627 117.7372 59.1240 72.4026 173.4487 132 P 4.1464 0.0000 0.0000 65.3275 30.9716 178.7760 133 T 3.4965 7.3744 114.7737 66.2949 68.6802 175.8033 134 K 4.2829 7.7767 122.9868 59.0193 32.4118 179.0961 135 T 3.8194 7.7346 110.4666 64.6627 68.4752 176.6010 136 S 4.1227 7.9928 117.3713 61.2749 62.5788 176.5394 137 Q 4.0272 7.7870 121.2235 58.8984 28.4298 178.8853 138 S 4.2536 8.0038 115.6995 61.8977 62.9605 176.7460 139 T 4.0941 8.0082 118.4402 66.7173 68.2060 176.8135 140 L 4.1339 8.4520 121.3870 57.9327 41.5892 179.1888 141 M 4.0594 8.3681 118.3203 58.7410 32.0998 177.5146 142 Y 4.2648 8.1884 119.6327 60.8569 38.9704 178.1686 143 L 3.6673 8.0749 119.6707 57.9702 41.7790 179.8723 144 R 3.9913 8.2063 117.8605 59.1949 29.8293 179.4004 145 R 4.0057 8.1427 118.1945 59.0559 30.0108 178.9074 146 L 3.8633 7.9048 119.0890 57.6534 41.6853 179.0084 147 E 3.9350 8.0989 119.1727 59.6240 29.3343 179.2782 148 R 3.9838 7.8613 116.6461 59.1884 30.1757 177.8330 149 Y 4.1978 8.1416 118.9568 60.9601 38.8352 178.1782 150 L 4.2637 8.1932 117.9830 56.7830 41.8845 177.7693 151 S 4.5064 7.6894 119.1164 58.5766 63.1277 173.7153 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 8.30 4.32 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 2 V 8.03 3.48 1.79 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 0.43 0.00 0.00 0.28 0.00 0.00 3 K 9.38 4.58 0.00 0.79 1.41 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.38 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.34 7.81 4 E 8.56 5.35 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 2.20 2.24 0.00 5 F 9.51 4.85 0.00 3.08 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 6 N 8.35 5.57 0.00 2.48 2.61 0.00 0.00 6.84 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 7 T 8.84 4.72 4.35 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 0.00 0.00 0.00 1.39 0.00 0.00 8 Q 8.37 5.13 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 9 T 8.81 4.72 4.29 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 1.27 0.00 0.00 10 E 8.78 5.11 0.00 1.89 1.87 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 2.24 2.33 0.00 11 L 8.97 4.85 0.00 1.54 1.54 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.10 4.63 0.00 3.93 3.84 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 0.00 0.00 0.00 13 V 6.93 4.56 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 0.70 0.00 0.00 0.95 0.00 0.00 14 R 8.37 4.28 0.00 1.84 1.86 0.00 3.64 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 15 L 8.58 3.92 0.00 1.66 1.62 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.21 4.10 0.00 2.07 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 2.42 2.37 0.00 17 A 7.95 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.03 3.92 0.00 1.82 1.87 0.86 1.04 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 19 W 8.69 4.35 0.00 3.41 3.24 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 20 A 8.19 3.85 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 21 V 7.37 3.53 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 0.77 0.00 0.00 0.74 0.00 0.00 22 L 8.04 3.97 0.00 1.58 1.63 0.28 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.65 4.41 0.00 3.11 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 24 K 7.75 4.39 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.24 1.40 7.81 25 D 8.12 4.65 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.09 4.46 0.00 3.33 3.52 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 27 I 7.20 3.68 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 -0.10 0.85 0.00 0.00 28 T 7.69 4.13 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 1.18 0.00 0.00 29 V 7.64 3.49 1.97 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 0.54 0.00 0.00 0.57 0.00 0.00 30 V 8.06 3.76 2.25 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 1.15 0.00 0.00 1.23 0.00 0.00 31 P 0.00 4.48 0.00 2.10 2.30 0.00 3.87 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 2.04 2.21 0.00 32 K 7.58 4.23 0.00 1.81 2.03 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.63 7.81 33 V 8.06 4.23 2.20 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 0.92 0.00 0.00 1.17 0.00 0.00 34 L 8.11 4.96 0.00 1.79 1.51 0.82 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 35 P 0.00 4.45 0.00 2.23 2.33 0.00 3.97 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 2.08 2.03 0.00 36 H 8.22 4.58 0.00 3.31 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.57 4.18 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.19 0.65 0.00 0.00 38 V 7.82 4.84 2.20 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 0.93 0.00 0.00 1.14 0.00 0.00 39 K 9.26 4.35 0.00 1.84 1.99 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.41 7.81 40 D 7.69 4.67 0.00 2.75 2.69 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 0.00 41 V 8.21 4.49 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 0.30 0.00 0.00 0.77 0.00 0.00 42 Q 8.80 4.59 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 43 L 8.41 4.32 0.00 1.55 1.50 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.70 4.27 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.96 0.88 0.00 0.00 45 E 8.01 4.53 0.00 1.99 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 2.27 2.31 0.00 46 G 9.28 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.38 4.71 0.00 2.68 2.64 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 48 G 8.33 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 0.00 0.00 0.00 49 G 8.05 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 0.00 0.00 0.00 50 V 8.01 3.94 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 0.91 0.00 0.00 1.08 0.00 0.00 51 G 8.92 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 0.00 0.00 0.00 52 T 7.78 4.28 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 1.29 0.00 0.00 53 I 8.76 5.05 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.02 0.93 0.00 0.00 54 L 9.10 5.23 0.00 1.59 1.24 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.37 4.81 1.75 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.80 0.00 0.00 56 F 9.25 4.83 0.00 2.65 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 57 N 8.79 4.84 0.00 2.71 2.69 0.00 0.00 6.56 8.60 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 58 F 8.60 5.42 0.00 3.03 2.93 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 0.00 0.00 0.00 59 L 8.60 4.19 0.00 1.67 1.63 1.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.25 0.00 2.08 2.15 0.00 3.97 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 2.03 0.00 61 E 8.15 4.14 0.00 1.97 2.01 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 2.33 2.25 0.00 62 V 8.01 4.19 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 0.92 0.00 0.00 63 S 8.28 4.76 0.00 3.97 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 64 P 0.00 4.45 0.00 1.97 1.98 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 65 S 8.85 4.90 0.00 4.04 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 66 Y 7.31 4.72 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.73 4.81 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 68 R 9.23 5.14 0.00 2.05 1.92 0.00 3.08 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 69 E 9.44 5.33 0.00 2.14 1.87 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 2.22 2.24 0.00 70 E 9.06 5.16 0.00 2.02 1.78 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 2.23 2.43 0.00 71 I 9.02 4.60 2.12 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 1.41 0.51 1.14 0.00 0.00 72 T 9.09 4.43 4.30 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 1.34 0.00 0.00 73 E 8.11 4.87 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 74 F 8.78 5.14 0.00 3.17 2.95 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 75 D 9.46 4.69 0.00 2.88 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 76 E 9.20 3.81 0.00 2.36 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 2.49 2.32 0.00 77 S 8.01 3.99 0.00 3.94 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 S 8.15 4.32 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 6.78 2.00 0.00 3.21 2.68 0.00 5.75 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.81 5.27 0.00 1.99 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 2.25 2.43 0.00 81 I 9.23 5.21 1.87 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 1.34 1.63 1.06 0.00 0.00 82 G 9.45 4.62 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 83 L 9.20 5.41 0.00 1.67 1.60 1.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 9.07 4.85 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 85 V 8.63 4.33 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 0.81 0.00 0.00 1.02 0.00 0.00 86 I 8.78 4.49 1.89 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 1.25 0.87 0.96 0.00 0.00 87 E 8.26 4.49 0.00 2.10 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 2.37 2.39 0.00 88 G 8.84 3.51 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 89 G 7.92 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.79 4.30 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.54 4.51 0.00 1.80 1.75 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.19 4.54 0.00 3.95 3.84 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 0.00 0.00 0.00 93 Q 8.25 4.70 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 94 G 8.48 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 95 L 7.88 4.43 0.00 1.91 1.69 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.75 4.76 0.00 3.91 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 0.00 97 Y 7.84 4.84 0.00 3.00 2.84 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 0.00 0.00 0.00 98 Y 7.81 5.03 0.00 3.18 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 99 K 8.72 4.96 0.00 1.59 1.53 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.50 7.81 100 T 8.90 4.82 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 0.59 0.00 0.00 101 T 8.78 5.04 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 1.29 0.00 0.00 102 F 9.50 5.39 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.20 5.11 0.00 1.82 1.63 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.52 7.81 104 L 8.86 5.42 0.00 1.48 1.55 1.16 1.23 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 0.00 105 S 8.88 4.68 0.00 3.81 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 0.00 106 E 8.66 4.60 0.00 1.96 1.87 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 2.22 2.46 0.00 107 I 8.57 4.14 1.98 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 1.30 0.98 0.91 0.00 0.00 108 E 7.54 4.73 0.00 1.96 1.80 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 2.29 2.28 0.00 109 E 8.94 4.08 0.00 1.92 2.01 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 2.31 2.37 0.00 110 D 8.00 5.11 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 0.00 111 K 8.23 4.94 0.00 1.68 1.66 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 112 T 8.98 5.07 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 1.30 0.00 0.00 113 L 8.76 4.71 0.00 1.79 1.53 0.94 0.57 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 0.00 114 V 8.93 4.83 2.18 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 1.15 0.00 0.00 0.99 0.00 0.00 115 N 9.18 5.25 0.00 2.71 2.73 0.00 0.00 5.98 8.49 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 0.00 116 V 8.94 4.67 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 0.88 0.00 0.00 1.02 0.00 0.00 117 K 8.97 5.04 0.00 1.87 1.59 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.53 7.81 118 I 9.10 4.78 1.88 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 1.08 0.61 0.50 0.00 0.00 119 S 8.78 5.45 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 0.00 120 Y 8.63 5.55 0.00 3.10 2.95 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 0.00 121 D 9.13 4.86 0.00 2.70 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 0.00 122 H 8.36 5.22 0.00 3.17 3.27 0.00 6.03 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *130 V 8.18 3.67 1.97 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 0.37 0.00 0.00 0.91 0.00 0.00 131 T 7.76 4.52 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 1.13 0.00 0.00 132 P 0.00 4.15 0.00 1.25 1.46 0.00 3.56 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.96 0.00 133 T 7.37 3.50 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 1.22 0.00 0.00 134 K 7.78 4.28 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.25 7.81 135 T 7.73 3.82 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 0.28 0.00 0.00 136 S 7.99 4.12 0.00 4.11 3.79 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 0.00 137 Q 7.79 4.03 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 138 S 8.00 4.25 0.00 4.07 3.93 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 0.00 0.00 0.00 139 T 8.01 4.09 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 140 L 8.45 4.13 0.00 1.73 1.79 1.00 0.77 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 0.00 141 M 8.37 4.06 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 142 Y 8.19 4.26 0.00 3.10 3.24 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 0.00 143 L 8.07 3.67 0.00 1.96 1.70 1.17 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.21 3.99 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 145 R 8.14 4.01 0.00 2.05 2.04 0.00 3.25 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 146 L 7.90 3.86 0.00 1.63 1.55 0.37 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.10 3.93 0.00 2.05 2.19 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 2.32 2.37 0.00 148 R 7.86 3.98 0.00 1.89 2.01 0.00 3.26 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 149 Y 8.14 4.20 0.00 3.03 3.12 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 0.00 0.00 0.00 150 L 8.19 4.26 0.00 1.86 1.77 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 151 S 7.69 4.51 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.