NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5995 8.4444 117.8329 55.6085 30.9233 172.5291 *2 Q 4.4145 7.7852 120.4961 56.3421 29.4868 174.2983 3 T 4.7890 8.6999 121.1354 62.1046 73.3635 172.6678 4 Q 5.0184 8.6861 123.3267 54.2291 31.8792 175.0778 5 I 4.4597 8.5098 123.1454 59.3224 41.3072 174.1107 6 K 4.6254 8.4617 128.1199 55.1257 33.4071 175.9741 7 V 3.8558 8.7308 128.7226 62.9646 32.6662 175.3972 8 R 4.7783 8.5388 126.1246 53.8944 33.1154 177.2973 9 G 3.6575 8.6333 108.7352 48.9418 0.0000 174.9942 10 Y 4.3802 7.6197 115.4759 58.4737 38.6670 175.9216 11 H 4.5009 7.7113 118.1868 57.2213 29.3897 175.2828 12 L 4.8913 7.2962 119.3059 53.7519 42.5345 176.1209 13 D 5.2509 8.2507 121.5381 51.5879 41.7385 176.7853 14 V 3.4931 8.4758 117.1279 65.1944 29.9661 176.1817 15 Y 4.2581 8.5506 116.8121 57.3609 37.8986 175.9771 16 Q 3.8517 8.4785 117.9209 57.0784 27.0423 172.7449 17 H 5.3652 7.4531 113.9881 53.4721 32.9062 173.4449 18 V 4.0997 8.3287 121.0454 63.2239 32.0483 175.5398 19 N 4.6983 8.6547 126.2952 53.1960 39.9407 175.2606 20 N 4.2056 9.1575 122.6777 56.6157 39.1776 177.2774 21 A 4.1542 8.0768 120.3044 55.0335 19.0141 179.3657 22 R 3.6907 7.9148 115.3839 59.6921 29.8258 178.2650 23 Y 3.8658 7.5535 115.5268 61.0321 37.8521 178.7124 24 L 4.0827 8.0749 119.6318 57.5558 41.5789 179.4012 25 E 4.0930 7.9174 118.4863 59.2616 29.5158 178.9259 26 F 4.5773 7.9354 117.9216 60.8081 39.1050 177.7600 27 L 4.0846 8.4604 118.8152 57.8054 41.3439 179.2058 28 E 3.9743 8.4907 119.3564 59.1018 29.5022 178.3011 29 E 4.1401 8.8641 119.6946 59.5386 29.7189 178.7701 30 A 4.1041 8.0385 121.9521 54.6579 18.3074 179.9073 31 R 3.7851 7.8994 116.4720 58.9936 29.8921 179.2344 32 W 4.0193 8.1929 118.0887 59.7690 29.1624 177.5405 33 D 4.7414 8.3488 117.0541 57.5942 40.6913 178.3980 34 G 3.7081 7.9583 104.8543 46.2371 0.0000 174.9023 35 L 4.6236 7.7146 121.6502 53.2826 38.8744 175.6608 36 E 3.9890 7.5484 115.4443 56.7926 32.3892 177.2136 37 N 4.6928 7.9300 113.8290 52.8203 39.6998 174.8190 38 S 4.3354 7.8113 112.6335 58.7195 63.8293 174.7315 39 D 4.5912 8.6091 119.1964 57.2248 41.1392 179.0249 40 S 4.1139 8.0272 113.0206 61.4318 62.1015 175.6644 41 F 4.0950 7.7701 122.2647 61.4612 39.2367 176.8708 42 Q 4.3671 8.4505 117.7202 58.2537 28.5237 178.3116 43 W 4.6252 8.2170 121.4034 56.7480 28.3942 178.1891 *45 T 4.1654 7.9766 116.2124 63.5598 70.1752 176.6843 46 A 3.9073 7.7342 122.9576 55.2071 17.1433 177.7488 47 H 4.4870 8.0344 110.2764 54.9753 28.9860 174.9078 48 N 4.1503 8.2056 117.5164 54.7325 37.7551 173.3197 49 I 4.8385 6.8863 112.9407 59.2590 39.7151 175.3206 50 A 4.5436 8.0116 123.9269 50.1794 22.9340 175.2725 51 F 5.0485 8.5361 119.4702 57.1763 40.1905 175.4164 52 V 4.4611 8.9357 123.0278 61.0090 34.5153 174.4532 53 V 4.3323 8.6730 128.4298 63.0877 31.5396 175.7690 54 V 4.4213 9.0591 120.5803 61.7744 33.8807 175.5894 55 N 5.0235 7.8968 118.0395 52.2344 42.5218 173.0407 56 I 4.9146 8.3863 125.4614 59.5372 40.6945 174.2964 57 N 4.8204 9.0571 125.9465 51.8635 40.9414 172.3741 58 I 4.7328 8.1937 126.0762 59.0288 40.8641 173.9917 59 N 4.6899 8.9654 126.9467 51.9596 40.5184 173.5562 60 Y 4.1367 8.4985 122.0167 57.1646 38.3650 175.1039 61 R 4.3546 8.7971 122.9707 57.0486 31.2363 176.6114 62 R 4.6750 7.5656 119.3092 53.4641 32.3865 172.8426 63 P 4.6145 0.0000 0.0000 62.8877 32.1930 175.8882 64 A 4.5368 9.1123 125.8630 51.8160 20.0011 177.0090 65 V 4.5935 9.2264 114.5994 58.4296 35.2533 174.8695 66 L 4.0437 8.3124 121.8960 57.4230 41.8337 177.4448 67 S 4.1811 8.8856 120.5773 58.4497 61.8209 169.7547 68 D 4.4456 7.9039 121.5287 54.4047 41.8199 175.2416 69 L 4.6928 8.4113 125.0343 53.5877 43.1048 175.3931 70 L 4.6357 8.9699 127.7289 54.1886 43.6299 175.9938 71 T 4.8571 8.8548 120.0630 61.8716 71.2675 173.2394 72 I 4.8260 9.0809 127.8842 59.9389 39.7444 174.6593 73 T 4.8853 8.9471 124.8852 61.8330 70.6765 173.7390 74 S 5.4617 8.6323 122.2556 56.9056 66.1616 173.5120 75 Q 4.7210 8.7999 119.9160 54.6679 32.2093 173.3352 76 L 4.3309 8.5869 124.3883 55.6421 42.1521 176.1353 77 Q 4.2899 9.2978 128.6576 58.6231 29.8899 175.2662 78 Q 4.6218 7.5480 116.6966 55.4325 32.7328 173.2105 79 L 4.7894 8.4219 122.3958 53.2888 44.4055 175.7620 80 N 4.9490 8.6767 125.2154 51.7488 41.1626 174.6613 81 G 3.9158 8.8310 106.8483 49.3372 0.0000 175.4000 82 K 4.8964 7.7998 114.7622 55.2574 34.5382 175.7276 83 S 4.6689 7.6934 113.0092 56.9776 66.5566 172.8589 84 G 3.9287 8.1540 107.7086 44.2587 0.0000 171.4639 85 I 5.0545 8.5244 120.1938 59.2618 40.8361 174.3342 86 L 5.0878 9.2810 129.9401 53.4264 44.3214 174.8184 87 S 5.1442 9.0686 121.5540 57.1427 64.5949 172.7307 88 Q 4.9373 9.0897 125.0914 54.2225 32.5927 174.0902 89 V 4.7408 8.9349 124.3789 61.0513 34.7093 174.0280 90 I 5.0690 9.1353 129.2549 59.9814 39.1285 174.8909 91 T 5.1527 8.9995 116.7763 59.9005 73.1076 172.6230 92 L 4.8526 8.5891 121.9062 53.3363 43.2562 176.1158 93 E 4.9048 8.6983 123.6352 54.0192 31.6569 174.4940 94 P 4.5286 0.0000 0.0000 63.7017 32.2264 176.9935 95 E 3.9264 8.2024 119.0916 58.5707 29.3674 178.2683 96 G 3.9507 8.8480 104.8733 44.9534 0.0000 173.2859 97 Q 4.0963 7.8533 118.8963 55.9509 29.7593 175.6199 98 V 4.3413 8.2972 123.3896 62.3353 32.4651 176.4843 99 V 3.7483 9.4486 129.1974 64.9816 32.4847 175.4372 100 A 4.9254 7.7158 119.3783 51.3834 22.6343 174.3157 101 D 5.1611 8.4062 116.9282 52.3631 43.1879 174.2735 102 A 5.0483 9.2185 121.2926 50.7089 23.5521 174.8045 103 L 4.9313 8.7287 119.7370 53.0534 44.5125 175.7545 104 I 4.5995 9.1862 126.1619 60.0646 39.2044 174.7819 105 T 4.9396 8.8972 125.9021 62.3989 69.9360 174.4307 106 F 5.6414 8.5972 120.9476 55.1212 42.2689 173.7195 107 V 4.8629 9.1336 117.9103 60.3797 35.6635 174.1548 108 C 5.2683 8.7593 118.3962 58.1851 30.2693 173.3841 109 I 4.9173 8.5690 119.7510 57.8696 39.0217 174.8576 110 D 4.7054 8.5734 128.2021 53.3057 39.7526 177.3548 111 L 3.9824 8.6223 124.7726 56.3478 41.5589 178.6222 112 K 3.8248 7.6210 117.7320 58.9512 32.2206 177.2037 113 T 4.2240 7.6320 112.3266 61.0128 68.6103 173.8756 114 Q 3.5224 8.1469 120.6382 57.4455 27.6436 173.2889 115 K 4.7506 7.8586 115.1761 54.3292 37.4603 177.3178 116 A 4.2172 8.8030 125.1400 53.1456 18.5652 176.8108 117 L 4.6741 8.7120 122.6953 52.8074 44.0038 176.7048 118 A 4.1808 8.4423 124.1985 51.9649 19.1966 177.9890 119 L 4.2592 9.3147 121.8891 55.2198 41.3928 178.0997 120 E 4.3752 7.9723 119.6320 56.5150 30.5637 176.7656 121 G 3.8455 7.8311 109.6434 46.0405 0.0000 174.3244 122 E 3.8883 8.1607 114.1592 57.2041 28.1483 177.3540 123 L 3.9928 7.7015 119.7464 58.1882 41.7961 179.3226 124 R 3.6104 7.6771 117.4027 59.9051 29.9763 177.9605 125 E 3.9459 8.2282 119.0861 59.0816 29.4420 178.7106 126 K 3.8982 7.6997 119.7801 59.7452 32.8479 178.9344 127 L 4.1646 8.5201 120.3204 57.9123 41.7145 178.7577 128 E 4.0808 8.0505 117.2589 59.0987 30.5847 178.6517 129 Q 4.1796 7.5672 119.5795 55.1929 26.7680 176.2984 *131 V 4.0572 7.3968 118.6937 61.1113 34.0186 175.9000 132 K 4.1024 7.7154 125.9492 56.6811 32.3097 175.2935 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 0 H 8.44 4.60 0.00 3.32 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 Q 7.79 4.41 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 3 T 8.70 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 1.20 0.00 0.00 4 Q 8.69 5.02 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 5 I 8.51 4.46 1.30 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.13 0.00 0.00 6 K 8.46 4.63 0.00 1.69 1.66 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.45 7.81 7 V 8.73 3.86 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 0.97 0.00 0.00 0.93 0.00 0.00 8 R 8.54 4.78 0.00 0.73 1.62 0.00 3.35 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 9 G 8.63 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.62 4.38 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 7.71 4.50 0.00 3.31 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.30 4.89 0.00 1.62 1.62 0.98 0.96 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 13 D 8.25 5.25 0.00 2.94 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 14 V 8.48 3.49 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 0.24 0.00 0.00 0.64 0.00 0.00 15 Y 8.55 4.26 0.00 3.13 2.88 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 16 Q 8.48 3.85 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 17 H 7.45 5.37 0.00 3.28 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.33 4.10 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 -0.00 0.00 0.00 0.89 0.00 0.00 19 N 8.65 4.70 0.00 2.92 2.63 0.00 0.00 7.06 6.87 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 20 N 9.16 4.21 0.00 2.66 2.66 0.00 0.00 6.96 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 21 A 8.08 4.15 1.32 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 0.00 0.00 0.00 22 R 7.91 3.69 0.00 1.75 1.68 0.00 3.04 0.00 0.00 2.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 23 Y 7.55 3.87 0.00 3.47 3.04 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 24 L 8.07 4.08 0.00 2.04 1.77 1.02 0.94 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 25 E 7.92 4.09 0.00 2.08 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 2.45 2.39 0.00 26 F 7.94 4.58 0.00 3.29 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 27 L 8.46 4.08 0.00 1.90 1.96 0.93 1.18 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 28 E 8.49 3.97 0.00 2.26 2.26 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 2.71 2.37 0.00 29 E 8.86 4.14 0.00 2.33 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 2.38 2.45 0.00 30 A 8.04 4.10 1.42 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 31 R 7.90 3.79 0.00 1.85 1.69 0.00 2.85 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 32 W 8.19 4.02 0.00 3.38 3.19 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 33 D 8.35 4.74 0.00 2.86 2.89 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 34 G 7.96 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 35 L 7.71 4.62 0.00 1.49 1.68 0.93 0.86 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 36 E 7.55 3.99 0.00 1.93 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 2.26 2.24 0.00 37 N 7.93 4.69 0.00 2.71 2.89 0.00 0.00 6.89 7.57 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 38 S 7.81 4.34 0.00 4.03 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 39 D 8.61 4.59 0.00 2.65 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 40 S 8.03 4.11 0.00 3.92 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 41 F 7.77 4.09 0.00 3.26 3.14 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 42 Q 8.45 4.37 0.00 2.50 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 43 W 8.22 4.63 0.00 3.49 3.14 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 *45 T 7.98 4.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 46 A 7.73 3.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.03 4.49 0.00 3.26 3.25 0.00 5.97 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.21 4.15 0.00 2.86 2.77 0.00 0.00 7.09 7.52 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 49 I 6.89 4.84 1.69 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 1.11 0.76 0.75 0.00 0.00 50 A 8.01 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.54 5.05 0.00 2.86 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 52 V 8.94 4.46 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 1.07 0.00 0.00 0.98 0.00 0.00 53 V 8.67 4.33 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 0.90 0.00 0.00 0.95 0.00 0.00 54 V 9.06 4.42 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 0.74 0.00 0.00 0.97 0.00 0.00 55 N 7.90 5.02 0.00 2.72 2.59 0.00 0.00 6.99 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.39 4.91 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 0.81 0.91 0.00 0.00 57 N 9.06 4.82 0.00 2.91 2.64 0.00 0.00 6.20 8.04 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 58 I 8.19 4.73 1.67 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.76 0.74 0.00 0.00 59 N 8.97 4.69 0.00 2.76 2.62 0.00 0.00 6.62 7.44 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 60 Y 8.50 4.14 0.00 2.73 2.74 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 0.00 0.00 0.00 61 R 8.80 4.35 0.00 1.94 1.92 0.00 3.07 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 62 R 7.57 4.67 0.00 1.72 1.89 0.00 3.11 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 63 P 0.00 4.61 0.00 1.76 1.96 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 64 A 9.11 4.54 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 65 V 9.23 4.59 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 0.76 0.00 0.00 1.01 0.00 0.00 66 L 8.31 4.04 0.00 1.59 1.61 0.90 0.94 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 67 S 8.89 4.18 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.90 4.45 0.00 2.72 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 69 L 8.41 4.69 0.00 1.59 1.56 0.86 0.96 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 70 L 8.97 4.64 0.00 1.48 1.51 0.81 0.54 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 71 T 8.85 4.86 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 1.24 0.00 0.00 72 I 9.08 4.83 1.88 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 1.27 0.88 0.94 0.00 0.00 73 T 8.95 4.89 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 1.19 0.00 0.00 74 S 8.63 5.46 0.00 3.69 3.70 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 75 Q 8.80 4.72 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 76 L 8.59 4.33 0.00 1.70 1.67 1.20 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.30 4.29 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.46 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 78 Q 7.55 4.62 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 79 L 8.42 4.79 0.00 1.63 1.55 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.68 4.95 0.00 2.72 2.74 0.00 0.00 7.00 7.27 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 81 G 8.83 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 82 K 7.80 4.90 0.00 1.67 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 83 S 7.69 4.67 0.00 3.75 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 84 G 8.15 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 85 I 8.52 5.05 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.92 0.00 0.00 86 L 9.28 5.09 0.00 1.82 1.57 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.07 5.14 0.00 3.91 3.82 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 88 Q 9.09 4.94 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 89 V 8.93 4.74 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 1.06 0.00 0.00 0.91 0.00 0.00 90 I 9.14 5.07 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 1.01 0.00 0.00 91 T 9.00 5.15 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 1.21 0.00 0.00 92 L 8.59 4.85 0.00 1.79 1.63 0.93 0.83 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 93 E 8.70 4.90 0.00 1.92 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 0.00 2.22 2.20 0.00 94 P 0.00 4.53 0.00 2.17 2.15 0.00 3.78 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 1.96 1.97 0.00 95 E 8.20 3.93 0.00 2.09 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 0.00 2.32 2.39 0.00 96 G 8.85 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 0.00 0.00 0.00 97 Q 7.85 4.10 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 98 V 8.30 4.34 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 0.95 0.00 0.00 0.97 0.00 0.00 99 V 9.45 3.75 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 1.45 0.00 0.00 1.00 0.00 0.00 100 A 7.72 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.41 5.16 0.00 2.65 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 0.00 102 A 9.22 5.05 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 0.00 0.00 0.00 0.00 0.00 103 L 8.73 4.93 0.00 1.57 1.56 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 104 I 9.19 4.60 1.93 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 1.31 0.64 0.96 0.00 0.00 105 T 8.90 4.94 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 1.17 0.00 0.00 106 F 8.60 5.64 0.00 3.26 3.10 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 0.00 107 V 9.13 4.86 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 0.86 0.00 0.00 0.99 0.00 0.00 108 C 8.76 5.27 0.00 2.87 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 0.00 109 I 8.57 4.92 1.87 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 0.93 1.32 0.93 0.00 0.00 110 D 8.57 4.71 0.00 2.74 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 0.00 111 L 8.62 3.98 0.00 1.80 1.78 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.62 3.82 0.00 1.83 1.80 0.00 1.99 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.41 7.81 113 T 7.63 4.22 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 1.32 0.00 0.00 114 Q 8.15 3.52 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 115 K 7.86 4.75 0.00 1.82 1.61 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.56 7.81 116 A 8.80 4.22 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 0.00 117 L 8.71 4.67 0.00 1.58 1.60 0.92 0.79 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 0.00 118 A 8.44 4.18 1.25 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 0.00 0.00 119 L 9.31 4.26 0.00 1.87 1.71 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.97 4.38 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 121 G 7.83 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 0.00 122 E 8.16 3.89 0.00 2.29 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 0.00 2.33 2.36 0.00 123 L 7.70 3.99 0.00 1.75 1.75 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.68 3.61 0.00 1.87 2.18 0.00 3.14 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.07 0.00 125 E 8.23 3.95 0.00 2.00 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 2.26 2.30 0.00 126 K 7.70 3.90 0.00 1.93 1.59 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.52 7.81 127 L 8.52 4.16 0.00 1.69 1.88 1.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.05 4.08 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 2.37 2.54 0.00 129 Q 7.57 4.18 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 *131 V 7.40 4.06 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 0.66 0.00 0.00 0.91 0.00 0.00 132 K 7.72 4.10 0.00 1.65 1.60 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.31 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.