NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3889 8.3049 120.3254 54.1972 33.0085 176.3579 2 D 4.0340 7.8719 116.6162 53.8763 44.0238 170.2446 3 D 4.5021 9.0683 133.2817 53.6155 42.1328 174.4332 4 I 3.6512 8.7291 123.8656 64.5181 38.1742 177.2552 5 Y 3.8955 7.9762 116.7326 61.0541 38.0283 177.7486 6 K 3.8619 8.3611 119.7474 59.6777 31.5975 178.3080 7 A 4.0481 8.5167 121.1803 54.6938 18.0402 179.5050 8 A 3.9503 7.8955 119.3651 55.1747 18.3933 179.8976 9 V 3.7842 7.6992 117.0752 64.6296 31.6119 178.2534 10 E 4.1043 8.2576 118.3438 58.1657 29.3043 177.8117 11 Q 5.1263 7.3513 117.4920 54.5528 31.5336 176.2068 12 L 4.7578 7.3008 116.8739 53.1664 41.8614 174.7004 13 T 4.5806 7.1123 113.6687 59.7848 71.1630 173.0125 14 E 4.0623 9.0209 119.7204 59.8539 29.1329 178.9776 15 E 4.1436 8.3753 117.1792 59.5819 28.9838 178.9762 16 Q 4.0286 8.2677 118.1553 59.2565 28.3335 178.7927 17 K 4.0320 8.3863 120.7291 59.4761 32.0835 178.6985 18 N 4.7913 8.1783 116.5261 56.2454 38.9049 176.2101 19 E 3.9476 8.3065 121.0555 58.6984 29.1905 178.4403 20 F 3.9740 8.1466 113.4916 59.6632 37.6469 177.5477 21 K 3.0941 7.7167 120.0581 59.2476 31.8535 178.6294 22 A 3.7699 7.7393 118.6815 54.7478 18.2467 178.9203 23 A 3.6725 7.0449 119.5428 55.5161 18.3072 180.0057 24 F 3.0392 6.1834 115.4847 59.9593 38.7421 177.3050 25 D 3.3700 6.8179 117.3459 57.0033 40.5136 178.3352 26 I 3.5093 6.4996 119.5749 64.1307 37.0154 177.4451 27 F 4.6249 7.1395 118.2438 60.0966 38.7905 176.4942 28 V 4.4344 7.5704 122.1127 60.0268 31.4713 174.3272 29 L 4.9588 7.7973 125.4267 55.6290 41.8785 177.8265 30 G 4.1059 7.6446 108.8336 43.6758 0.0000 171.9977 31 A 4.1951 8.0063 121.5257 52.1033 19.1207 177.9521 32 E 4.2411 8.5923 117.5446 58.1984 29.8259 177.7269 33 D 4.6989 8.0148 115.9261 53.1719 42.6668 176.9950 34 G 3.9054 8.3982 106.3421 45.8165 0.0000 172.8891 35 S 4.7317 7.7089 112.2873 55.7527 66.0007 173.1144 36 I 3.9370 7.9380 121.5755 60.5468 37.9217 176.1268 37 S 4.6659 8.0987 120.1121 56.8466 64.6733 174.0001 38 T 4.4139 8.1744 111.1256 63.9929 68.1184 175.8537 39 K 3.9387 8.0806 121.3428 59.0136 32.1024 178.2515 40 E 3.8546 8.0306 117.7781 58.4000 29.2903 179.0781 41 L 4.0471 7.8681 122.6322 58.2463 42.2435 178.8717 42 G 3.7561 7.9197 104.7945 46.7184 0.0000 175.4215 43 K 3.5985 7.9529 121.2232 59.7507 32.1999 179.1821 44 V 3.6837 7.4412 118.7699 66.3427 31.6735 177.8645 45 M 4.3177 7.9794 116.0349 57.9614 31.1591 178.0011 46 R 3.9245 8.0823 119.5423 58.6091 29.2892 175.7098 47 M 4.7070 7.7942 114.4575 57.0643 34.1082 177.2957 48 L 4.1417 8.5085 119.1915 55.9595 42.8062 176.7406 49 G 4.2871 7.2671 103.7304 46.8024 0.0000 171.6332 50 Q 4.6994 7.8479 114.2417 54.1261 31.8450 175.9382 51 N 4.7860 8.2038 116.2384 50.1641 36.3701 172.6298 52 P 4.4870 0.0000 0.0000 63.3521 32.6569 176.4723 53 T 4.5570 8.1117 108.7364 59.3626 70.2510 174.0657 54 P 4.3535 0.0000 0.0000 64.9825 32.0492 178.1369 55 E 3.9556 7.8075 120.1665 59.1671 29.1851 178.0830 56 E 3.8971 7.6605 118.1549 59.4753 29.7863 178.9314 57 L 4.3095 7.7303 117.9879 56.9794 41.9101 178.8620 58 Q 3.9737 8.0408 120.1655 59.2808 29.1402 178.3647 59 E 4.0999 8.1325 117.4163 58.8783 29.6298 178.1477 60 M 4.0350 7.6218 119.0759 59.0453 32.2640 177.8661 61 I 3.9654 7.2349 117.9364 63.9354 37.3458 177.9960 62 D 4.6558 7.9546 118.8631 54.2682 41.0457 176.2529 63 E 4.9451 7.8639 119.3433 56.0191 32.8022 175.8093 64 V 4.6737 8.4406 125.6230 61.3135 33.4352 175.5821 65 D 4.5566 8.0096 120.3574 53.9348 41.1693 175.1602 66 E 4.7376 8.7472 123.5574 55.8925 31.6492 175.5600 67 D 4.7388 8.3453 117.7977 52.5954 40.9884 176.0668 68 G 3.7813 8.3112 107.4690 46.9935 0.0000 174.0164 69 S 4.5187 8.6700 112.7819 57.1194 64.9744 175.2195 70 G 3.9760 10.3974 109.8082 45.5218 0.0000 172.5784 71 T 4.5170 7.2264 106.8778 60.3821 71.9336 173.4812 72 V 4.1393 7.9014 120.9362 59.8336 31.5426 175.8804 73 D 4.2838 8.3319 126.0796 53.5070 42.7388 176.9019 74 F 4.1917 7.8852 118.4284 61.1203 39.1689 177.2634 75 D 4.7279 8.2331 118.3386 56.6637 39.4884 178.0750 76 E 4.1854 8.3994 119.5997 59.1946 29.2099 178.8979 77 F 4.2759 8.1814 120.4415 60.6211 39.1839 177.1508 78 L 3.9862 8.1924 118.5429 57.2929 42.0378 179.0623 79 V 3.8951 7.7261 112.1670 64.0317 31.8545 177.7610 80 M 4.2821 8.2520 115.7972 56.9037 31.1152 177.9936 81 M 3.7591 7.1800 117.8767 58.3549 31.2540 178.1366 82 V 3.9611 7.3116 111.4551 62.9474 31.9858 178.2758 83 R 3.8831 7.6480 117.6243 59.1403 29.8716 178.4034 84 S 4.2076 8.1050 112.9715 61.9986 62.9029 174.4612 85 M 4.1986 7.8950 120.8082 54.9531 32.4126 176.3542 86 K 4.1620 8.3824 117.6897 56.7448 29.9910 175.7960 87 D 4.9176 8.1210 122.2859 52.5328 44.2626 176.2096 88 D 4.9963 8.1065 121.3988 51.9596 40.2581 177.8503 89 S 4.6668 7.4044 113.9107 57.3412 63.2973 175.9847 90 K 4.5833 8.3537 115.0616 57.0313 34.5444 177.6401 91 G 3.8471 8.6463 112.9030 44.6637 0.0000 177.2091 92 K 4.0408 9.1465 124.4880 56.8512 32.7489 176.4507 93 S 4.8567 8.2988 117.7907 55.8882 65.3824 174.4411 94 E 4.1796 8.6174 122.8009 58.4711 29.7015 178.8268 95 E 4.0209 8.1183 120.0683 59.2841 29.4295 178.3969 96 E 3.9763 7.9252 118.3265 59.5654 29.6192 178.8785 97 L 4.0502 7.7561 120.3522 58.4295 41.9908 178.9290 98 S 3.4977 7.7601 114.0382 61.6766 62.6927 176.1579 99 D 4.3835 8.0386 121.2688 55.5744 40.4253 178.5684 100 L 3.9500 7.5653 120.6145 58.0637 42.4929 178.2988 101 F 4.0716 8.3189 113.6088 59.6226 37.7321 177.0865 102 R 3.0626 6.7795 118.1937 58.6702 29.8467 177.4500 103 M 3.6555 7.1536 114.6539 56.9480 32.2020 176.1656 *105 D 4.2983 7.8134 118.8390 53.6253 41.1984 175.7342 106 K 3.8920 8.7345 124.6500 59.3704 30.9853 178.4711 107 N 4.4337 8.7038 114.3734 53.2798 38.8544 175.7464 108 A 4.0655 7.6445 119.8400 53.2524 16.5924 177.0911 109 D 4.9026 7.7021 116.4959 54.6199 39.9801 176.1414 110 G 4.0761 8.7477 105.4283 46.8983 0.0000 173.6450 111 Y 5.2634 7.8585 116.5972 56.2458 42.0241 173.0439 112 I 4.7237 7.8758 127.1066 59.4895 39.3807 175.4035 113 D 4.5445 7.9526 125.4695 52.6582 44.5968 175.9831 114 L 4.0488 8.3524 118.1029 58.3107 41.4840 179.3498 115 D 4.3911 7.9418 118.1352 57.3265 40.5474 178.4940 116 E 4.0987 8.0251 118.3497 58.8528 29.3594 178.8253 117 L 4.0429 8.5813 119.3567 56.7709 41.9003 179.0921 118 K 3.9742 7.9602 119.4987 59.2916 32.0313 178.8091 119 I 3.6631 7.6591 120.0413 64.8707 36.9141 178.2040 120 M 4.0997 7.4264 116.7775 58.0810 32.1781 177.8893 121 L 4.2381 7.8330 122.4454 57.5821 42.2254 178.7023 122 Q 3.9280 8.4909 116.2408 59.2676 28.2717 178.0956 123 A 4.2284 7.4325 122.1080 54.5433 19.5507 177.9177 124 T 4.5470 7.9951 110.9909 60.6761 68.2328 172.2826 125 G 4.3308 7.8120 113.8060 43.2789 0.0000 170.9113 126 E 4.4963 8.0741 114.8061 55.7248 29.4859 174.5719 127 T 3.5064 8.0906 120.0149 63.0206 68.1858 172.8329 128 I 4.3470 7.5246 112.7328 60.7212 39.8544 175.4891 129 T 4.2922 7.9728 115.8121 61.6334 69.6547 175.5819 130 E 4.0952 8.5278 123.8867 59.1665 29.3718 178.7031 131 D 4.3664 8.1462 117.0649 57.8295 41.5659 177.9090 132 D 4.5060 8.0239 118.4042 56.8743 40.9515 178.6701 133 I 3.6556 7.2456 119.2301 64.5430 37.3055 178.0705 134 E 4.2058 8.2427 119.2148 59.4854 29.2374 178.9835 135 E 4.0326 7.9876 118.7701 59.4013 29.4503 178.1122 136 L 3.9741 8.3689 119.2266 58.5375 41.4994 178.9055 137 M 4.2116 7.8062 117.7939 58.6528 32.1955 178.2185 138 K 4.1339 7.8358 118.5969 59.1480 32.6190 177.8343 139 D 4.7284 8.5634 117.9663 55.9210 41.4646 176.3222 140 G 2.5811 8.2610 110.8116 46.3481 0.0000 172.5244 141 D 4.6443 7.6510 120.4491 53.6160 42.4483 176.5861 142 K 4.1190 8.9698 126.6765 57.9614 32.3120 177.9888 143 N 4.7379 7.9513 113.3328 51.7137 40.7563 173.3007 144 N 4.3133 7.6433 115.1679 55.2548 37.3916 173.4692 145 D 4.8648 8.0611 111.1309 52.7094 40.6481 175.9757 146 G 4.0439 8.8210 105.7429 46.6721 0.0000 174.4506 147 R 5.3071 7.8618 115.2369 54.9215 32.4593 174.2294 148 I 4.4573 8.6005 124.6442 59.1517 39.3134 174.0736 149 D 5.2884 8.2015 127.9951 51.9843 43.3159 175.1020 150 Y 3.2153 8.5346 118.5731 61.3095 38.4668 178.6239 151 D 3.8119 8.0921 117.8124 57.3497 41.3193 177.6484 152 E 4.0557 8.0115 116.0858 58.0293 29.5108 178.6286 153 F 4.8895 8.7460 124.0335 60.6374 38.4637 177.2097 154 L 4.2256 8.3502 119.3215 58.6965 40.1933 178.9104 155 E 4.1313 8.1017 118.9958 59.6663 29.3841 178.3089 156 F 3.5620 7.3438 112.1251 59.7324 38.9504 174.6891 157 M 4.5702 8.4346 118.2048 55.4986 32.8960 175.2361 158 K 3.9138 7.8837 115.2378 57.5468 31.4886 174.9827 159 G 4.1813 7.9259 103.5274 46.2203 0.0000 174.3031 160 V 3.8223 6.9187 114.3151 58.4938 30.1593 175.4846 161 E 4.4034 7.8350 124.3062 56.7214 29.6078 176.1089 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 4.39 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 D 7.87 4.03 0.00 2.71 2.57 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 3 D 9.07 4.50 0.00 2.98 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 4 I 8.73 3.65 1.89 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 1.63 0.55 1.03 0.00 0.00 5 Y 7.98 3.90 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.36 3.86 0.00 1.91 2.10 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.61 7.81 7 A 8.52 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 8 A 7.90 3.95 1.17 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 9 V 7.70 3.78 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 10 E 8.26 4.10 0.00 2.08 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 2.38 2.52 0.00 11 Q 7.35 5.13 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.22 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 12 L 7.30 4.76 0.00 1.80 1.58 0.91 0.60 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 13 T 7.11 4.58 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 1.27 0.00 0.00 14 E 9.02 4.06 0.00 2.05 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 2.39 0.00 15 E 8.38 4.14 0.00 2.19 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 2.37 2.39 0.00 16 Q 8.27 4.03 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 17 K 8.39 4.03 0.00 1.85 1.82 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.52 7.81 18 N 8.18 4.79 0.00 2.83 2.88 0.00 0.00 6.85 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 19 E 8.31 3.95 0.00 2.24 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 2.26 2.44 0.00 20 F 8.15 3.97 0.00 3.29 3.31 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 21 K 7.72 3.09 0.00 1.43 1.71 0.00 1.66 0.00 0.00 1.51 0.00 0.00 3.13 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.41 1.44 7.81 22 A 7.74 3.77 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 23 A 7.04 3.67 0.72 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 0.00 0.00 24 F 6.18 3.04 0.00 2.21 2.82 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 25 D 6.82 3.37 0.00 2.49 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 0.00 0.00 0.00 0.00 26 I 6.50 3.51 1.49 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.86 0.00 0.00 27 F 7.14 4.62 0.00 3.15 3.03 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 28 V 7.57 4.43 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 1.07 0.00 0.00 1.04 0.00 0.00 29 L 7.80 4.96 0.00 1.74 2.04 0.90 0.47 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 30 G 7.64 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.01 4.20 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 32 E 8.59 4.24 0.00 1.95 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 2.30 2.39 0.00 33 D 8.01 4.70 0.00 2.61 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 34 G 8.40 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 0.00 0.00 0.00 35 S 7.71 4.73 0.00 3.89 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 36 I 7.94 3.94 1.73 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 0.68 0.00 0.00 37 S 8.10 4.67 0.00 3.81 3.72 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 38 T 8.17 4.41 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 1.18 0.00 0.00 39 K 8.08 3.94 0.00 1.75 1.85 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.44 7.81 40 E 8.03 3.85 0.00 1.69 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 1.47 1.54 0.00 41 L 7.87 4.05 0.00 1.70 1.81 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.92 3.76 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 0.00 0.00 0.00 43 K 7.95 3.60 0.00 2.19 2.21 0.00 1.19 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.41 1.59 7.81 44 V 7.44 3.68 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 1.25 0.00 0.00 1.32 0.00 0.00 45 M 7.98 4.32 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.82 0.00 46 R 8.08 3.92 0.00 1.71 1.88 0.00 3.20 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.53 0.00 47 M 7.79 4.71 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 48 L 8.51 4.14 0.00 1.91 1.79 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.27 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 0.00 0.00 0.00 0.00 50 Q 7.85 4.70 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.10 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 51 N 8.20 4.79 0.00 2.81 2.88 0.00 0.00 6.02 7.75 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 52 P 0.00 4.49 0.00 2.20 2.11 0.00 3.77 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 2.02 2.00 0.00 53 T 8.11 4.56 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 54 P 0.00 4.35 0.00 2.24 2.35 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 55 E 7.81 3.96 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 56 E 7.66 3.90 0.00 1.93 1.76 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 2.41 2.43 0.00 57 L 7.73 4.31 0.00 1.88 1.75 1.08 0.84 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 58 Q 8.04 3.97 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 59 E 8.13 4.10 0.00 2.27 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 0.00 2.33 2.56 0.00 60 M 7.62 4.03 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 61 I 7.23 3.97 1.88 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 1.53 0.54 0.92 0.00 0.00 62 D 7.95 4.66 0.00 2.80 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 63 E 7.86 4.95 0.00 1.89 1.83 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 2.07 2.06 0.00 64 V 8.44 4.67 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 1.32 0.00 0.00 1.01 0.00 0.00 65 D 8.01 4.56 0.00 2.65 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 66 E 8.75 4.74 0.00 1.94 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 2.21 2.27 0.00 67 D 8.35 4.74 0.00 2.77 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 68 G 8.31 3.78 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 0.00 0.00 0.00 69 S 8.67 4.52 0.00 3.95 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 70 G 10.40 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 71 T 7.23 4.52 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 1.18 0.00 0.00 72 V 7.90 4.14 2.14 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 0.71 0.00 0.00 1.10 0.00 0.00 73 D 8.33 4.28 0.00 2.76 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 74 F 7.89 4.19 0.00 3.12 3.07 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 75 D 8.23 4.73 0.00 3.28 3.03 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 76 E 8.40 4.19 0.00 2.32 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 0.00 2.46 2.42 0.00 77 F 8.18 4.28 0.00 3.13 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 78 L 8.19 3.99 0.00 1.94 1.80 1.26 0.95 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 79 V 7.73 3.90 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 1.06 0.00 0.00 1.01 0.00 0.00 80 M 8.25 4.28 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 81 M 7.18 3.76 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 82 V 7.31 3.96 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 0.73 0.00 0.00 0.95 0.00 0.00 83 R 7.65 3.88 0.00 1.98 2.11 0.00 3.52 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 84 S 8.11 4.21 0.00 4.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 M 7.89 4.20 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 86 K 8.38 4.16 0.00 1.76 1.78 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.48 7.81 87 D 8.12 4.92 0.00 2.89 2.54 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 0.00 0.00 0.00 0.00 88 D 8.11 5.00 0.00 2.67 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 89 S 7.40 4.67 0.00 4.15 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 90 K 8.35 4.58 0.00 1.72 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.54 7.81 91 G 8.65 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 92 K 9.15 4.04 0.00 1.90 1.89 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 93 S 8.30 4.86 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.62 4.18 0.00 2.14 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 2.45 2.34 0.00 95 E 8.12 4.02 0.00 2.03 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 2.33 2.43 0.00 96 E 7.93 3.98 0.00 2.21 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 2.36 2.51 0.00 97 L 7.76 4.05 0.00 1.80 2.08 1.06 1.19 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 98 S 7.76 3.50 0.00 3.05 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.04 4.38 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.57 3.95 0.00 1.81 1.89 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.32 4.07 0.00 1.56 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 0.00 0.00 0.00 102 R 6.78 3.06 0.00 0.96 1.69 0.00 3.28 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.54 0.00 103 M 7.15 3.66 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 *105 D 7.81 4.30 0.00 2.62 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 0.00 106 K 8.73 3.89 0.00 1.84 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.43 7.81 107 N 8.70 4.43 0.00 3.04 2.87 0.00 0.00 7.28 6.80 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 0.00 108 A 7.64 4.07 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 0.00 109 D 7.70 4.90 0.00 2.92 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 0.00 110 G 8.75 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 0.00 111 Y 7.86 5.26 0.00 3.09 2.91 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 0.00 112 I 7.88 4.72 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 1.12 0.00 0.00 113 D 7.95 4.54 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.35 4.05 0.00 1.76 1.72 0.92 1.08 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 0.00 115 D 7.94 4.39 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.03 4.10 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 2.39 2.39 0.00 117 L 8.58 4.04 0.00 1.88 1.76 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.96 3.97 0.00 1.89 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.62 7.81 119 I 7.66 3.66 1.90 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 1.41 0.62 0.93 0.00 0.00 120 M 7.43 4.10 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 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0.00 0.00 0.00 0.00 0.00 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 0.00 130 E 8.53 4.10 0.00 2.09 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 2.39 2.41 0.00 131 D 8.15 4.37 0.00 2.64 2.71 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 0.00 132 D 8.02 4.51 0.00 2.79 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 0.00 133 I 7.25 3.66 1.95 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 1.48 0.65 0.90 0.00 0.00 134 E 8.24 4.21 0.00 2.18 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 2.34 2.34 0.00 135 E 7.99 4.03 0.00 2.18 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 2.32 2.43 0.00 136 L 8.37 3.97 0.00 1.95 1.76 0.64 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.81 4.21 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 138 K 7.84 4.13 0.00 1.82 2.02 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 139 D 8.56 4.73 0.00 2.93 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 0.00 140 G 8.26 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 0.00 0.00 0.00 141 D 7.65 4.64 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.97 4.12 0.00 1.73 1.79 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.45 7.81 143 N 7.95 4.74 0.00 2.78 2.79 0.00 0.00 7.09 7.98 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 0.00 144 N 7.64 4.31 0.00 2.95 2.83 0.00 0.00 6.90 8.35 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 0.00 145 D 8.06 4.86 0.00 2.77 2.66 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 0.00 146 G 8.82 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 0.00 147 R 7.86 5.31 0.00 1.91 2.16 0.00 2.55 0.00 0.00 3.71 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 148 I 8.60 4.46 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.84 0.00 0.00 149 D 8.20 5.29 0.00 2.98 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 0.00 150 Y 8.53 3.22 0.00 2.59 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 0.00 151 D 8.09 3.81 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.01 4.06 0.00 1.97 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 2.26 2.46 0.00 153 F 8.75 4.89 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 0.00 154 L 8.35 4.23 0.00 2.10 2.18 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.10 4.13 0.00 1.98 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 2.34 2.37 0.00 156 F 7.34 3.56 0.00 3.12 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 0.00 157 M 8.43 4.57 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 158 K 7.88 3.91 0.00 1.83 1.85 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.41 7.81 159 G 7.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 6.92 3.82 1.44 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 0.45 0.00 0.00 -0.35 0.00 0.00 161 E 7.84 4.40 0.00 1.62 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.