NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6969 8.4201 119.2045 53.4004 41.7563 176.2998 0 A 4.0396 8.1359 126.6306 51.7290 17.7532 177.5945 2 K 3.9886 9.1426 115.6912 57.6548 31.9521 173.2193 3 K 4.0439 8.3194 129.7138 57.6606 32.8356 177.1128 4 G 3.8537 8.8738 107.4698 44.5436 0.0000 172.7146 5 T 4.4118 8.1508 106.2185 61.0879 69.9754 174.5169 6 V 3.9861 7.5816 122.4139 61.9836 30.1950 174.5760 7 L 4.3302 8.0529 126.0719 55.7368 42.8412 177.9365 8 N 4.4652 7.9474 117.6744 53.3530 40.5504 175.6218 9 S 4.1516 8.5941 122.7872 61.6301 63.3321 176.6134 10 E 3.9697 8.1848 121.8000 59.0796 29.3163 179.1586 11 I 3.6901 8.2538 119.9696 64.4518 37.1901 178.6080 12 S 4.1050 8.1301 115.9529 61.6341 62.4484 176.7309 13 S 4.0765 7.8712 114.7162 61.4205 62.4875 176.3252 14 V 3.7838 8.0436 122.0467 64.8567 31.1673 178.3972 15 I 3.7473 7.9942 120.8228 63.9746 36.7290 178.1494 16 S 4.3257 7.9375 113.3108 60.2049 63.1225 175.6219 17 R 4.2969 7.6696 120.3784 55.8340 30.7574 176.6828 18 L 4.1950 7.1519 119.4138 54.6571 42.3457 176.3933 19 G 4.1704 9.4021 110.9934 43.0433 0.0000 171.6827 20 H 4.4711 8.5946 118.7074 58.0943 29.8000 175.3256 21 T 3.4838 8.8802 116.5818 61.5583 68.8917 171.9866 22 D 4.6517 7.8887 122.8547 54.8636 42.1370 175.5322 23 T 5.1595 8.4049 110.8064 59.9585 72.7068 172.4308 24 L 5.0486 8.6675 123.5222 53.5565 45.8811 174.8750 25 V 4.8291 8.7782 126.0966 61.2472 34.0803 174.2711 26 V 4.9679 8.6617 127.3857 61.3168 33.9468 174.1318 27 C 5.6868 9.1449 121.9951 56.4431 33.4626 172.7422 28 D 5.2117 9.2464 119.5739 51.9884 41.0450 177.2631 29 A 4.1161 9.0361 121.4201 54.0876 18.2664 178.4517 30 G 3.9868 7.7760 102.4621 44.7625 0.0000 173.6092 31 L 4.1389 7.5443 122.4806 53.8997 42.6300 174.9178 32 P 4.4548 0.0000 0.0000 62.6084 32.1041 175.6064 33 I 4.4457 7.9830 120.8907 58.8052 39.1708 174.0638 34 P 4.4582 0.0000 0.0000 62.3620 31.7726 177.0104 35 N 4.6138 8.5679 117.7629 54.1758 37.7116 175.8489 36 S 4.4224 7.9036 112.6888 59.2455 63.5053 173.5974 37 T 4.5981 7.3903 114.7406 59.9815 70.4568 173.0151 38 A 4.2055 8.0625 128.3735 51.9723 19.8181 176.4173 39 R 4.6143 8.5507 121.8268 54.7998 31.8765 175.4587 40 I 4.3563 8.7244 128.7804 59.8563 38.8125 174.5664 41 D 4.9455 8.5559 126.4901 52.7275 43.1289 175.3962 *43 A 4.0284 8.2867 123.6921 52.3138 19.1159 175.8931 44 L 4.1963 8.9397 125.2285 56.7652 42.9734 176.0166 45 T 4.4321 7.3521 109.8750 60.6460 70.1881 171.8145 46 Q 3.9995 8.6273 121.8286 57.7979 28.6775 178.0089 47 G 3.8812 9.3301 111.0780 45.5080 0.0000 173.1189 48 V 4.4425 8.0172 120.2425 60.2967 34.3759 173.2417 49 P 5.0532 0.0000 0.0000 62.1309 33.3574 175.8543 50 S 4.6361 9.2261 116.1300 57.3025 64.7694 175.1485 51 F 4.2496 9.0999 119.5389 59.6877 39.2270 176.8116 *53 Q 4.1865 8.1401 119.8584 55.6371 30.6736 177.8529 54 V 3.4849 7.6102 116.5043 65.8745 31.5231 178.1337 55 V 3.3524 7.4833 118.1473 65.9389 31.0348 177.3398 56 D 4.2129 7.7424 115.7181 57.3640 41.4091 177.9637 57 V 3.6943 7.6917 118.5659 65.9998 31.5964 177.9593 58 V 3.5806 7.9868 118.5414 66.2565 31.1685 177.6146 59 T 4.1905 7.8584 106.6859 63.4194 68.9131 176.3961 60 R 4.1027 7.8102 121.1329 58.1507 30.5425 176.6907 61 E 4.4718 7.7520 117.9426 55.7947 30.0911 176.5219 *63 Q 4.2279 7.8700 117.4023 55.9874 30.6497 175.1747 64 V 4.8238 8.8776 125.2242 61.2616 32.2059 175.1820 65 E 4.6813 9.3994 125.1989 56.8049 31.8735 175.2982 66 A 4.8780 7.6491 120.1666 50.8368 23.0398 174.7952 67 A 5.1691 9.2601 121.0886 50.2616 22.9410 175.2541 68 I 4.9792 8.9208 122.3900 59.5336 40.4998 174.8846 69 L 5.2980 8.5966 124.5311 52.5793 46.5133 175.8026 70 A 4.6705 8.0610 123.5575 52.0718 19.3698 179.0406 71 T 3.8813 8.9413 120.1003 66.8432 68.4635 176.8478 72 E 3.7040 7.8196 119.6359 58.8180 29.1804 178.8917 73 I 3.6421 7.4732 119.0904 63.6923 37.6977 177.9845 74 K 3.7108 7.4686 118.6605 59.5551 31.9736 178.8838 75 Q 4.1334 7.7947 116.0742 57.9655 29.0841 177.3269 76 Q 4.4994 7.7629 116.1952 55.6896 30.7821 175.6750 77 N 5.0169 8.2714 119.6209 50.6441 39.7834 173.5186 78 P 4.2705 0.0000 0.0000 65.9841 31.8325 177.8518 79 Q 3.9343 8.0504 118.8466 59.0964 29.0489 178.0743 80 L 4.0027 8.0026 120.7972 58.1093 42.2109 177.8383 81 H 4.1989 8.4571 118.5538 59.7195 29.7804 177.0798 82 E 3.9688 8.4160 120.1083 59.6396 29.2762 179.4620 83 T 3.9269 7.9688 115.9027 66.4497 68.4023 176.5078 84 L 4.0828 8.2109 122.3516 58.0968 42.1337 178.9805 85 L 4.0056 8.0706 118.9651 58.0906 41.5693 179.5325 86 T 3.8510 8.0074 115.6158 66.9898 68.3605 176.0844 87 H 4.1287 8.2881 119.9569 59.3697 29.9245 177.3648 88 L 3.9192 8.3789 121.0967 57.4307 41.2250 179.1508 89 E 3.9122 8.2653 119.7423 59.4041 29.6239 178.9312 90 Q 3.8985 7.9961 118.1470 58.5251 28.6391 178.3143 91 L 3.7767 7.9187 121.8799 58.1226 42.1736 179.1063 92 Q 4.2143 7.9416 118.9300 58.7916 28.2917 178.5238 93 Q 3.9930 7.7972 120.1283 59.1532 28.5446 178.4383 94 H 4.2670 7.9878 116.0082 59.0452 28.8460 177.6429 95 Q 4.2163 8.3793 118.8526 56.4639 28.6186 176.7808 96 G 3.8917 7.8110 107.6894 46.2186 0.0000 172.7131 97 N 4.9389 8.1560 117.7193 51.1615 40.0898 172.0527 98 T 4.8161 8.2888 111.9944 60.6498 69.3821 173.7546 99 I 4.3094 9.1557 131.2429 60.4550 38.0053 175.7993 100 K 4.1955 8.7678 129.9794 56.2503 33.1913 175.4417 101 I 5.0260 8.3708 128.2587 59.6550 39.3768 174.9484 102 S 4.7721 8.5984 119.9328 57.0447 67.0958 172.2301 103 Y 5.4838 8.5838 117.1150 56.5821 41.2977 174.8532 104 T 4.9853 8.9674 112.5470 59.6620 73.2504 173.3861 105 T 4.2768 8.4386 111.2658 61.6452 69.5676 174.7446 106 H 4.2151 8.8506 122.3911 59.6407 29.7234 177.5129 107 E 3.9649 8.2784 119.9152 59.6168 29.3344 179.0300 108 Q 4.0265 8.1044 119.4130 58.7551 29.1215 177.6792 109 F 4.0666 8.5736 122.2480 61.4083 39.2228 177.1650 110 K 4.0128 8.2408 116.7198 59.5437 32.2536 179.1045 111 K 4.1065 7.9196 118.2734 59.5318 31.9588 179.4258 112 L 3.9781 8.0493 119.4516 57.8070 41.5490 179.5888 113 T 3.7019 7.8439 109.5470 64.5633 68.2477 176.2334 114 A 4.0505 7.6276 122.4587 54.3516 18.4102 178.1700 115 D 4.6825 7.7374 115.3640 53.4065 41.5610 176.8776 116 S 4.9514 7.0253 114.0195 57.1183 64.1093 174.5091 117 Q 4.0754 8.8901 120.2081 58.8435 28.8916 176.1166 118 A 4.9000 7.3235 113.6125 50.9729 23.4415 175.4653 119 V 4.6040 8.6373 120.1149 61.2540 34.1267 174.6447 120 I 4.6814 9.0824 130.0559 59.9680 38.4692 174.8299 121 R 4.6396 8.8373 129.7351 55.6036 30.6616 176.3340 122 S 4.6332 8.8083 122.0226 56.9058 65.6995 173.9996 123 G 4.0406 8.9292 105.1949 46.2430 0.0000 173.3595 124 E 4.4851 8.2295 122.6701 56.6962 30.2620 176.9610 125 C 4.7817 8.7390 122.6205 59.5937 29.8398 174.3980 126 S 4.3422 7.6627 113.1756 57.0307 63.4555 172.2108 127 P 4.1330 0.0000 0.0000 63.6724 31.6495 175.8330 128 Y 3.3712 7.6938 117.6145 59.0656 35.8054 171.5976 129 A 3.8540 7.4491 121.6206 50.7459 16.9818 177.2769 130 N 5.6424 7.3407 117.2178 50.8312 43.2412 175.4167 131 V 5.0790 9.5507 122.3239 60.2270 35.5445 174.2866 132 I 4.6504 8.9235 124.2116 60.0245 39.0230 174.4452 133 L 5.0002 8.9702 128.1630 53.4489 43.7953 175.2587 134 C 5.1670 8.9924 121.8411 57.9162 30.6143 172.9636 135 A 4.6922 8.9251 126.4028 51.9051 19.1293 176.6362 136 G 4.4115 8.2023 107.0275 46.5217 0.0000 173.2976 137 V 4.6325 8.2631 114.1126 59.1487 35.5461 175.8915 138 T 4.0427 8.3733 114.8362 62.5039 67.2184 174.3375 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 N 8.42 4.70 0.00 2.68 2.92 0.00 0.00 6.98 7.08 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 A 8.14 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.14 3.99 0.00 1.81 2.13 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.32 4.04 0.00 1.78 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 4 G 8.87 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.15 4.41 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 1.21 0.00 0.00 6 V 7.58 3.99 2.22 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 0.82 0.00 0.00 0.98 0.00 0.00 7 L 8.05 4.33 0.00 1.67 1.70 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.95 4.47 0.00 2.75 2.68 0.00 0.00 7.00 7.63 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 9 S 8.59 4.15 0.00 4.08 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 10 E 8.18 3.97 0.00 2.15 2.03 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 2.40 2.34 0.00 11 I 8.25 3.69 1.86 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 1.51 0.72 0.90 0.00 0.00 12 S 8.13 4.11 0.00 4.01 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 13 S 7.87 4.08 0.00 3.92 4.03 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 14 V 8.04 3.78 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 0.83 0.00 0.00 0.92 0.00 0.00 15 I 7.99 3.75 1.95 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 1.57 1.41 0.91 0.00 0.00 16 S 7.94 4.33 0.00 4.05 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 17 R 7.67 4.30 0.00 1.94 2.01 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 18 L 7.15 4.19 0.00 1.61 1.60 0.92 1.26 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 19 G 9.40 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 20 H 8.59 4.47 0.00 3.09 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.88 3.48 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 0.92 0.00 0.00 22 D 7.89 4.65 0.00 2.78 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 0.00 0.00 0.00 0.00 23 T 8.40 5.16 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 1.22 0.00 0.00 24 L 8.67 5.05 0.00 1.73 1.47 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.78 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 1.03 0.00 0.00 0.84 0.00 0.00 26 V 8.66 4.97 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 0.91 0.00 0.00 0.86 0.00 0.00 27 C 9.14 5.69 0.00 3.32 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 28 D 9.25 5.21 0.00 3.02 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 29 A 9.04 4.12 1.35 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 30 G 7.78 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.54 4.14 0.00 1.81 1.65 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.45 0.00 2.24 2.05 0.00 3.82 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 2.02 2.01 0.00 33 I 7.98 4.45 1.89 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 1.44 0.87 0.92 0.00 0.00 34 P 0.00 4.46 0.00 2.17 1.96 0.00 3.59 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 2.09 2.06 0.00 35 N 8.57 4.61 0.00 2.81 2.93 0.00 0.00 6.12 7.64 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 36 S 7.90 4.42 0.00 3.99 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 37 T 7.39 4.60 4.23 0.00 0.00 0.00 0.00 0.00 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 38 A 8.06 4.21 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 39 R 8.55 4.61 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.72 4.36 1.87 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 1.11 0.67 0.91 0.00 0.00 41 D 8.56 4.95 0.00 2.69 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 *43 A 8.29 4.03 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 44 L 8.94 4.20 0.00 1.58 1.85 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.35 4.43 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 1.21 0.00 0.00 46 Q 8.63 4.00 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.33 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.02 4.44 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 1.08 0.00 0.00 0.98 0.00 0.00 49 P 0.00 5.05 0.00 2.16 2.15 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 50 S 9.23 4.64 0.00 3.97 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 51 F 9.10 4.25 0.00 3.08 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 *53 Q 8.14 4.19 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 54 V 7.61 3.48 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 1.03 0.00 0.00 0.95 0.00 0.00 55 V 7.48 3.35 1.68 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 0.83 0.00 0.00 -0.00 0.00 0.00 56 D 7.74 4.21 0.00 2.48 2.72 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 57 V 7.69 3.69 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 0.92 0.00 0.00 0.96 0.00 0.00 58 V 7.99 3.58 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 0.97 0.00 0.00 0.93 0.00 0.00 59 T 7.86 4.19 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 1.25 0.00 0.00 60 R 7.81 4.10 0.00 1.98 2.04 0.00 3.13 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 61 E 7.75 4.47 0.00 1.94 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 2.25 2.24 0.00 *63 Q 7.87 4.23 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 V 8.88 4.82 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 0.83 0.00 0.00 0.93 0.00 0.00 65 E 9.40 4.68 0.00 2.04 2.22 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 2.35 2.25 0.00 66 A 7.65 4.88 1.21 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 0.00 0.00 67 A 9.26 5.17 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 68 I 8.92 4.98 1.90 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 1.21 0.67 1.06 0.00 0.00 69 L 8.60 5.30 0.00 1.34 1.54 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.06 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.94 3.88 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 1.07 0.00 0.00 72 E 7.82 3.70 0.00 1.16 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 1.88 2.09 0.00 73 I 7.47 3.64 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.89 0.00 0.00 74 K 7.47 3.71 0.00 1.68 1.68 0.00 1.37 0.00 0.00 1.40 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.04 7.81 75 Q 7.79 4.13 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 76 Q 7.76 4.50 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.31 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 77 N 8.27 5.02 0.00 2.77 2.63 0.00 0.00 6.82 7.22 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 78 P 0.00 4.27 0.00 2.31 2.45 0.00 3.75 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 2.07 2.01 0.00 79 Q 8.05 3.93 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 80 L 8.00 4.00 0.00 1.84 1.82 1.02 0.50 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 81 H 8.46 4.20 0.00 3.34 3.54 0.00 5.66 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 82 E 8.42 3.97 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 83 T 7.97 3.93 4.43 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 1.26 0.00 0.00 84 L 8.21 4.08 0.00 2.06 1.97 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.07 4.01 0.00 1.86 1.70 0.83 0.65 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 86 T 8.01 3.85 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 1.23 0.00 0.00 87 H 8.29 4.13 0.00 3.28 3.49 0.00 5.78 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 88 L 8.38 3.92 0.00 1.84 1.69 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.27 3.91 0.00 2.32 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 0.00 2.30 2.35 0.00 90 Q 8.00 3.90 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 91 L 7.92 3.78 0.00 1.65 1.70 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.94 4.21 0.00 2.45 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 93 Q 7.80 3.99 0.00 2.19 2.22 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 2.38 2.39 0.00 94 H 7.99 4.27 0.00 3.26 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.38 4.22 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.41 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 96 G 7.81 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 97 N 8.16 4.94 0.00 2.83 2.91 0.00 0.00 6.41 6.57 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 98 T 8.29 4.82 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 1.21 0.00 0.00 99 I 9.16 4.31 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.90 0.00 0.00 100 K 8.77 4.20 0.00 1.87 1.68 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 101 I 8.37 5.03 1.87 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 1.38 0.57 0.63 0.00 0.00 102 S 8.60 4.77 0.00 3.87 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 0.00 103 Y 8.58 5.48 0.00 2.85 2.85 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 0.00 0.00 0.00 104 T 8.97 4.99 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 1.28 0.00 0.00 105 T 8.44 4.28 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 106 H 8.85 4.22 0.00 3.40 3.45 0.00 5.79 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 0.00 107 E 8.28 3.96 0.00 2.06 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 0.00 2.46 2.35 0.00 108 Q 8.10 4.03 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 109 F 8.57 4.07 0.00 3.30 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 0.00 110 K 8.24 4.01 0.00 1.93 1.89 0.00 1.79 0.00 0.00 1.50 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.54 7.81 111 K 7.92 4.11 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.05 3.98 0.00 1.62 1.56 0.89 0.48 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 0.00 113 T 7.84 3.70 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 1.01 0.00 0.00 114 A 7.63 4.05 1.38 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 0.00 0.00 115 D 7.74 4.68 0.00 2.72 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 0.00 116 S 7.03 4.95 0.00 4.11 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 0.00 117 Q 8.89 4.08 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 118 A 7.32 4.90 1.20 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 0.00 0.00 119 V 8.64 4.60 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 1.10 0.00 0.00 0.93 0.00 0.00 120 I 9.08 4.68 1.88 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 1.11 0.47 0.91 0.00 0.00 121 R 8.84 4.64 0.00 1.83 1.86 0.00 3.26 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 122 S 8.81 4.63 0.00 4.15 3.94 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 0.00 123 G 8.93 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 0.00 0.00 0.00 124 E 8.23 4.49 0.00 2.33 1.90 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 2.27 2.31 0.00 125 C 8.74 4.78 0.00 2.86 2.90 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 0.00 126 S 7.66 4.34 0.00 4.07 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 0.00 127 P 0.00 4.13 0.00 2.17 1.91 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 128 Y 7.69 3.37 0.00 3.00 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 0.00 129 A 7.45 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.34 5.64 0.00 2.21 2.99 0.00 0.00 6.99 7.68 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 0.00 131 V 9.55 5.08 2.44 0.00 0.00 0.00 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 1.15 0.00 0.00 132 I 8.92 4.65 1.80 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 0.84 0.11 0.81 0.00 0.00 133 L 8.97 5.00 0.00 1.68 1.57 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.99 5.17 0.00 2.82 2.80 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 0.00 135 A 8.93 4.69 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 0.00 0.00 0.00 0.00 137 V 8.26 4.63 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 0.89 0.00 0.00 138 T 8.37 4.04 4.23 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.