NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2977 8.3449 119.6826 55.6679 30.1848 174.1927 4 L 4.6718 8.0848 121.1638 51.1094 44.6633 175.4704 5 T 4.2291 9.3815 113.3326 60.9277 72.0944 175.1706 6 E 3.8608 8.6019 121.6095 59.5232 29.5082 178.5333 7 E 3.8722 7.9999 118.6256 59.4877 29.7376 178.7084 8 Q 3.5590 7.7977 117.7974 58.7085 28.5906 178.7914 9 I 3.6382 7.5486 120.7331 64.2124 37.1243 178.3503 10 A 4.0986 7.9738 121.6172 55.0137 18.1746 179.6571 11 E 4.3697 8.0752 118.6239 59.2465 29.6189 179.5745 12 F 4.8863 8.5744 118.1524 60.4699 38.8290 177.7460 13 K 4.0363 8.7738 119.7878 59.4648 31.8694 178.7587 14 E 3.9973 8.4214 118.7551 59.3712 29.0285 179.2792 15 A 4.1738 8.3326 120.8481 55.0829 18.5144 179.3550 16 F 3.7494 8.6240 119.5574 61.4799 39.2432 177.5770 17 S 4.2323 8.3531 112.6507 61.0759 62.8491 175.3089 18 L 3.9865 7.5040 124.1150 57.5689 41.9593 177.6743 19 F 4.0530 7.6156 115.3726 58.4610 40.0439 175.9310 20 D 4.5381 7.3760 123.5191 52.2506 39.4673 176.7203 21 K 3.8664 7.7872 121.6384 59.4931 32.7000 178.5256 22 D 4.3924 8.0238 115.7888 53.6434 39.8599 176.7274 23 G 3.8816 7.8993 108.1433 46.7403 0.0000 173.7627 24 D 4.5758 8.4102 116.6152 52.6784 39.4701 177.0587 25 G 4.1169 9.0026 108.3763 46.2012 0.0000 173.0911 26 T 5.3785 8.1935 108.4119 59.9498 72.2421 173.0117 27 I 4.8514 8.7143 115.2156 59.1665 41.6455 174.7961 28 T 4.7859 9.3494 114.1010 61.3364 69.5627 175.9351 29 T 3.9482 8.4987 112.9959 64.3844 68.4342 176.8414 30 K 3.9184 7.9108 122.4752 59.6820 32.4557 178.3731 31 E 3.9126 8.1632 118.8136 59.1425 29.0474 179.0271 32 L 3.8972 7.5979 119.8352 58.2779 42.2020 179.0979 33 G 3.7092 7.4145 102.7496 48.0135 0.0000 175.4852 34 T 4.0819 7.5826 118.4115 66.0516 68.3938 178.4727 35 V 2.9874 7.5148 120.7766 61.7509 31.2601 178.3012 *37 R 4.8185 8.3086 119.9590 57.4109 31.9360 178.2331 38 S 4.1700 8.0272 111.4377 60.7621 63.0472 174.8944 39 L 4.3629 7.6872 119.1906 54.6126 41.5098 177.2508 40 G 3.9199 8.4356 107.4024 45.4137 0.0000 172.5128 41 C 4.7632 7.9848 117.4974 55.3068 41.9850 173.6621 42 N 5.0889 8.3737 123.4199 51.1513 37.9878 172.6213 43 P 4.6300 0.0000 0.0000 62.3644 32.9983 177.8436 44 T 4.2433 8.7553 111.3249 61.0359 70.9982 175.5195 45 E 3.9023 8.7688 120.7647 59.7205 29.3422 179.6268 46 A 3.9638 7.9088 119.7592 55.3637 18.3663 179.2751 47 E 3.8767 7.7497 115.1155 59.3769 29.5718 179.2256 48 L 4.0554 7.9481 119.5537 58.2805 42.5019 178.3353 49 Q 4.1672 8.1692 119.4689 59.2370 28.9540 178.6707 50 D 4.7223 8.2400 119.0124 54.6176 40.8774 178.6773 *52 I 4.0765 7.7455 120.2298 61.5987 39.1274 177.9484 53 N 4.2255 8.2679 116.6153 56.2992 38.6117 176.4467 54 E 4.0733 8.1038 118.3125 58.4036 30.0135 177.5549 55 V 3.9312 7.7548 116.8596 64.2548 32.6631 175.4895 56 D 4.9187 8.7832 121.0049 51.3853 39.4087 176.1086 57 A 4.0813 8.1737 126.6172 54.2032 18.8179 178.5315 58 D 4.5102 8.2068 113.2642 53.3341 40.0791 176.4169 59 G 4.0799 7.6670 107.8270 46.6717 0.0000 173.3634 60 N 4.6373 8.1534 113.8347 52.0975 37.7959 175.9777 61 G 3.9974 8.5199 106.9950 45.8913 0.0000 173.0584 62 T 5.3058 7.6125 107.2911 59.8036 72.0732 173.3595 63 I 5.0439 8.9782 116.0388 59.5011 41.7437 174.2309 64 N 5.6195 9.3566 121.8105 50.9045 40.0487 175.6706 65 F 3.5701 8.7240 119.5875 60.8673 39.3548 175.0934 66 P 3.8979 0.0000 0.0000 65.7229 30.8749 178.1130 67 E 3.9381 9.2223 118.7581 59.1751 29.1503 179.0277 68 F 4.2867 8.2171 119.8803 61.3196 39.5472 176.8440 69 L 3.8220 7.7771 117.9689 57.3140 42.9944 179.1214 70 T 4.0166 7.5724 116.2452 63.7134 63.9137 174.2765 *73 A 4.2477 7.5893 125.5314 52.1177 21.3343 178.6322 74 R 3.9882 7.9521 115.9094 59.7034 30.4899 178.9415 75 C 4.5404 7.9091 116.1876 56.6509 42.4699 175.0025 *77 K 4.1786 8.2642 119.6017 56.0712 33.5759 177.3204 78 D 4.3755 8.1425 118.5399 57.8070 40.5625 179.0871 79 T 3.9998 7.9174 116.0347 66.4199 68.3438 176.7974 80 D 4.3761 7.9004 120.5612 57.3948 40.9314 178.3392 81 S 4.1049 8.3745 115.9914 61.7738 62.8788 176.0984 82 E 3.9630 8.2233 121.5036 59.9152 29.3036 179.1590 83 E 4.0488 8.1402 117.8114 59.3531 29.5148 179.0950 84 E 4.0528 8.5350 119.1119 59.5061 29.4845 179.5395 85 I 3.9272 8.2835 120.2646 64.4182 37.1634 178.6784 86 R 4.2177 8.3764 119.0515 59.3752 29.7015 178.7315 87 E 3.9963 8.3094 117.7512 59.1843 30.0325 178.3724 88 A 4.3434 8.3346 120.9242 55.1063 18.4692 179.2598 89 F 3.1047 8.7982 119.5413 61.4662 39.2904 177.5695 90 R 3.9545 8.1094 115.9498 58.9997 29.8080 179.1248 91 V 3.7550 7.3975 117.0858 65.9184 31.7161 177.8210 92 F 4.0901 8.2983 115.5270 60.1153 40.5056 176.7748 93 D 4.5128 7.7129 118.2620 53.0065 36.6871 176.2888 94 K 3.7997 7.6571 123.4935 59.6867 32.6646 177.9981 95 D 4.5644 8.1418 114.1143 52.5729 39.6324 176.1813 96 G 4.0366 8.1033 108.2630 46.8929 0.0000 173.9017 97 N 4.6309 8.5041 114.2032 52.3136 37.7048 175.8748 98 G 3.9372 9.3416 108.0958 45.5838 0.0000 172.4819 99 Y 5.0572 7.8411 115.8299 56.1771 41.9776 174.8839 100 I 4.4591 9.0469 125.7603 60.4463 38.7579 176.0027 101 S 4.8464 9.3375 122.7298 57.0373 65.2932 175.4662 102 A 3.9705 8.7013 121.1058 55.3220 18.0570 179.4313 103 A 3.9623 8.0839 118.7688 55.6862 18.1566 179.6159 104 E 4.0142 7.8364 115.7973 59.1856 29.7548 178.9760 105 L 4.1590 8.0208 120.6972 57.9562 41.9375 179.0257 106 R 3.8076 7.9076 117.6527 59.8113 30.3181 177.7855 107 H 4.1079 8.5977 118.1059 58.3840 29.6529 175.6969 108 V 4.3338 7.1928 119.0526 64.0311 32.1485 177.4227 *110 T 4.2785 7.8878 113.0848 62.8502 70.5169 175.7532 111 N 4.2649 7.8060 120.8948 56.0891 39.1605 176.6262 112 L 4.0210 7.8127 119.7333 58.3820 42.2650 176.5679 113 G 3.6022 7.6043 106.4791 45.3886 0.0000 173.8754 114 E 4.0293 8.0054 122.0213 55.6809 30.2124 175.6608 115 K 4.5952 8.5449 125.0023 54.7866 34.3148 175.3610 116 L 4.7731 8.1683 123.2861 53.5005 43.6119 176.1436 117 T 4.0399 8.1932 110.5267 61.5488 69.6533 174.8402 118 D 4.3903 8.9832 124.1779 58.0947 40.9348 179.1840 119 E 3.9895 8.2512 118.1134 59.6388 29.1961 179.2139 120 E 4.0494 8.2724 118.1644 59.1413 29.6274 179.0932 121 V 3.7671 7.5999 117.1800 66.1612 31.9109 177.4594 122 D 4.5634 8.8494 118.9681 56.8004 40.5514 177.8388 123 E 4.3529 7.9128 119.6421 56.4170 29.6937 178.8130 *125 I 4.1264 7.7353 118.1508 61.1468 39.2981 178.0554 126 R 4.1964 8.3005 118.3178 59.4076 30.0579 178.1838 127 E 4.0975 8.3554 114.2042 58.9688 29.9993 178.0837 128 A 3.9834 7.9964 121.5471 54.5829 18.6781 176.4011 129 D 4.5205 9.0387 116.5921 55.0253 40.6819 175.8719 130 I 4.0762 9.9111 129.7475 63.9087 37.6746 177.9721 131 D 4.6061 8.4948 115.3566 53.0047 39.3310 175.9492 132 G 3.9787 7.5752 107.1327 47.3570 0.0000 174.0393 133 D 4.6383 8.5261 115.0417 52.3966 40.1573 177.1487 134 G 3.9273 9.0541 107.7833 45.9710 0.0000 172.7854 135 Q 4.7841 8.7559 117.5094 54.2282 33.8706 174.4777 136 V 4.7372 8.6933 120.0146 61.4206 33.6069 175.0980 137 N 5.1464 9.4803 127.0310 51.5345 39.3863 175.5763 138 Y 3.1115 8.4413 118.2735 60.7486 38.6756 177.7070 139 E 3.7618 8.1410 118.7628 59.5983 29.4351 179.2047 140 E 4.0478 8.9877 117.2544 58.7711 29.4737 179.0985 141 F 4.3044 7.6018 120.2204 61.4593 39.7042 177.6044 142 V 3.4207 7.3277 110.2772 63.3528 32.8270 177.7097 143 Q 4.1139 7.4786 121.3088 55.6532 24.5746 175.8825 *146 T 4.1630 7.4525 113.7180 61.3673 71.2756 174.6461 147 A 4.1758 7.3129 127.4270 51.4785 18.7948 176.7908 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 3 Q 8.34 4.30 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 4 L 8.08 4.67 0.00 1.59 1.43 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.38 4.23 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 1.19 0.00 0.00 6 E 8.60 3.86 0.00 2.03 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 2.37 2.37 0.00 7 E 8.00 3.87 0.00 2.08 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 2.34 2.39 0.00 8 Q 7.80 3.56 0.00 1.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 9 I 7.55 3.64 1.98 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 1.39 0.56 1.01 0.00 0.00 10 A 7.97 4.10 1.41 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 11 E 8.08 4.37 0.00 2.12 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 2.38 2.33 0.00 12 F 8.57 4.89 0.00 3.34 3.35 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 13 K 8.77 4.04 0.00 2.20 2.02 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.11 0.67 7.81 14 E 8.42 4.00 0.00 2.36 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 0.00 2.38 2.59 0.00 15 A 8.33 4.17 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 16 F 8.62 3.75 0.00 3.22 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 17 S 8.35 4.23 0.00 4.06 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 0.00 18 L 7.50 3.99 0.00 1.65 1.97 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.62 4.05 0.00 2.86 2.87 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 20 D 7.38 4.54 0.00 2.26 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 21 K 7.79 3.87 0.00 1.72 1.81 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.32 7.81 22 D 8.02 4.39 0.00 2.77 2.77 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 23 G 7.90 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 24 D 8.41 4.58 0.00 2.82 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 25 G 9.00 4.12 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 0.00 0.00 0.00 26 T 8.19 5.38 4.44 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 0.00 0.00 0.00 1.30 0.00 0.00 27 I 8.71 4.85 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.07 0.00 0.00 28 T 9.35 4.79 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 1.24 0.00 0.00 29 T 8.50 3.95 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 1.23 0.00 0.00 30 K 7.91 3.92 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.59 7.81 31 E 8.16 3.91 0.00 2.13 1.88 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 2.43 2.34 0.00 32 L 7.60 3.90 0.00 1.63 1.88 1.12 0.97 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 33 G 7.41 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.58 4.08 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 1.43 0.00 0.00 35 V 7.51 2.99 0.67 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 0.61 0.00 0.00 0.65 0.00 0.00 *37 R 8.31 4.82 0.00 2.07 2.06 0.00 3.40 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 38 S 8.03 4.17 0.00 4.12 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 0.00 39 L 7.69 4.36 0.00 1.53 1.67 0.85 1.37 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 40 G 8.44 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 0.00 0.00 0.00 41 C 7.98 4.76 0.00 2.91 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 42 N 8.37 5.09 0.00 2.66 2.73 0.00 0.00 7.18 8.02 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 43 P 0.00 4.63 0.00 2.16 2.03 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 44 T 8.76 4.24 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 45 E 8.77 3.90 0.00 1.99 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 0.00 2.40 2.34 0.00 46 A 7.91 3.96 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 47 E 7.75 3.88 0.00 2.10 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 2.34 2.32 0.00 48 L 7.95 4.06 0.00 1.67 1.86 0.92 0.96 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 49 Q 8.17 4.17 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.24 4.72 0.00 2.71 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 *52 I 7.75 4.08 2.06 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 1.43 1.04 0.92 0.00 0.00 53 N 8.27 4.23 0.00 2.70 2.89 0.00 0.00 7.13 7.34 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 54 E 8.10 4.07 0.00 2.00 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 0.00 2.31 2.23 0.00 55 V 7.75 3.93 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 0.91 0.00 0.00 56 D 8.78 4.92 0.00 2.73 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 57 A 8.17 4.08 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 58 D 8.21 4.51 0.00 2.81 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 59 G 7.67 4.08 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 60 N 8.15 4.64 0.00 2.83 2.92 0.00 0.00 6.89 6.79 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 61 G 8.52 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 0.00 0.00 0.00 62 T 7.61 5.31 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 63 I 8.98 5.04 1.98 0.00 0.00 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 1.39 0.91 0.97 0.00 0.00 64 N 9.36 5.62 0.00 2.90 3.10 0.00 0.00 6.52 7.80 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 65 F 8.72 3.57 0.00 2.20 2.87 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 66 P 0.00 3.90 0.00 2.22 2.17 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 67 E 9.22 3.94 0.00 2.30 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 0.00 2.34 2.47 0.00 68 F 8.22 4.29 0.00 3.20 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 80 D 7.90 4.38 0.00 2.85 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 81 S 8.37 4.10 0.00 3.99 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 82 E 8.22 3.96 0.00 2.16 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 2.40 2.48 0.00 83 E 8.14 4.05 0.00 2.22 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 2.35 2.50 0.00 84 E 8.54 4.05 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 85 I 8.28 3.93 2.14 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 1.52 0.81 1.05 0.00 0.00 86 R 8.38 4.22 0.00 2.08 2.01 0.00 3.12 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 0.00 87 E 8.31 4.00 0.00 2.13 2.23 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 2.40 2.38 0.00 88 A 8.33 4.34 1.67 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 0.00 0.00 89 F 8.80 3.10 0.00 3.16 3.26 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 90 R 8.11 3.95 0.00 1.99 2.03 0.00 3.26 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 91 V 7.40 3.75 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 0.78 0.00 0.00 1.03 0.00 0.00 92 F 8.30 4.09 0.00 2.59 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 93 D 7.71 4.51 0.00 1.98 2.27 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 0.00 94 K 7.66 3.80 0.00 1.83 1.82 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.20 7.81 95 D 8.14 4.56 0.00 2.77 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 96 G 8.10 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 97 N 8.50 4.63 0.00 2.99 3.00 0.00 0.00 6.96 6.32 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 98 G 9.34 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 0.00 0.00 0.00 99 Y 7.84 5.06 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 0.00 100 I 9.05 4.46 1.89 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.36 0.99 0.00 0.00 101 S 9.34 4.85 0.00 3.90 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 0.00 102 A 8.70 3.97 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 0.00 103 A 8.08 3.96 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 0.00 104 E 7.84 4.01 0.00 2.07 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 0.00 2.29 2.29 0.00 105 L 8.02 4.16 0.00 1.88 1.87 1.22 1.05 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 0.00 106 R 7.91 3.81 0.00 2.02 2.09 0.00 3.48 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 107 H 8.60 4.11 0.00 3.28 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.19 4.33 1.94 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 0.37 0.00 0.00 0.61 0.00 0.00 *110 T 7.89 4.28 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 1.15 0.00 0.00 111 N 7.81 4.26 0.00 2.81 2.86 0.00 0.00 7.15 7.73 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 0.00 112 L 7.81 4.02 0.00 1.64 1.73 0.90 0.90 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 0.00 113 G 7.60 3.60 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 0.00 0.00 0.00 114 E 8.01 4.03 0.00 1.92 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 2.30 2.36 0.00 115 K 8.54 4.60 0.00 1.86 1.76 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.38 7.81 116 L 8.17 4.77 0.00 1.70 1.62 0.93 0.73 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 0.00 117 T 8.19 4.04 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 1.21 0.00 0.00 118 D 8.98 4.39 0.00 2.71 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 0.00 119 E 8.25 3.99 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 2.41 2.48 0.00 120 E 8.27 4.05 0.00 2.10 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 2.35 2.32 0.00 121 V 7.60 3.77 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 0.90 0.00 0.00 0.94 0.00 0.00 122 D 8.85 4.56 0.00 3.00 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 0.00 123 E 7.91 4.35 0.00 2.23 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 2.31 2.40 0.00 *125 I 7.74 4.13 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.01 0.99 0.00 0.00 126 R 8.30 4.20 0.00 2.13 2.04 0.00 3.39 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 127 E 8.36 4.10 0.00 2.07 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 0.00 2.56 2.27 0.00 128 A 8.00 3.98 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 0.00 129 D 9.04 4.52 0.00 2.57 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 9.91 4.08 2.01 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 1.36 1.04 0.92 0.00 0.00 131 D 8.49 4.61 0.00 2.80 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 0.00 132 G 7.58 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 0.00 0.00 0.00 0.00 133 D 8.53 4.64 0.00 2.72 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 0.00 134 G 9.05 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 0.00 0.00 0.00 135 Q 8.76 4.78 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 136 V 8.69 4.74 2.21 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 1.13 0.00 0.00 1.04 0.00 0.00 137 N 9.48 5.15 0.00 2.73 3.04 0.00 0.00 6.45 7.97 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 0.00 138 Y 8.44 3.11 0.00 2.24 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 0.00 139 E 8.14 3.76 0.00 2.21 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 2.41 2.50 0.00 140 E 8.99 4.05 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 141 F 7.60 4.30 0.00 3.21 3.17 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 0.00 142 V 7.33 3.42 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.81 0.00 0.00 143 Q 7.48 4.11 0.00 2.36 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.39 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 *146 T 7.45 4.16 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 1.14 0.00 0.00 147 A 7.31 4.18 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 * Residues marked with a * may have inaccurate shift predictions.