NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8857 8.1676 115.9096 57.2434 40.2613 176.8827 11 H 3.3115 6.0612 117.5727 56.7652 28.6667 173.9632 12 E 3.8999 8.3590 121.2810 58.9973 30.5063 179.3003 13 M 4.4990 7.2975 115.2309 55.6529 31.6480 177.4007 14 R 4.5323 7.6930 117.3207 55.4958 32.9091 175.5663 15 E 4.0436 8.0081 117.4267 55.0353 30.0203 174.6353 16 P 4.4692 0.0000 0.0000 63.1826 32.4092 175.3125 17 R 4.4300 8.0827 116.5604 54.8598 33.4720 173.9366 18 I 4.2472 8.2505 121.1899 61.3421 37.2084 175.6896 19 E 4.2189 9.3217 130.0511 58.2634 29.9698 176.6073 20 K 4.5733 7.3458 115.3011 56.1815 35.7696 174.0707 21 V 4.4720 8.3176 121.3212 61.3465 34.4361 174.5448 22 V 4.5833 8.5279 129.8253 61.5538 33.0418 174.8801 23 V 4.6604 8.1656 122.8266 60.2694 33.0810 174.9412 24 H 5.2795 9.0483 124.7567 54.6284 34.1155 171.9905 25 M 4.5152 8.4809 122.5613 53.3475 34.7068 175.6040 26 G 3.6611 8.1836 114.1721 44.9819 0.0000 172.2011 27 I 3.6026 8.0187 123.1786 61.1443 36.6060 175.5370 28 G 3.3215 7.9004 117.1554 45.5659 0.0000 173.3743 29 H 4.3864 7.4877 113.6934 55.9995 31.3207 174.5052 *35 A 4.2302 7.8064 123.5347 52.4917 19.3851 177.7419 36 N 4.5236 9.0572 117.5709 52.8709 38.1317 176.3418 37 A 4.5356 7.7383 121.4709 52.4703 20.3032 178.6705 38 E 3.8201 8.1698 117.0248 59.2577 29.4243 178.8165 39 D 4.4062 8.1317 118.7895 57.4319 40.9246 178.8078 40 I 3.7339 7.3087 113.1226 64.1228 37.5257 178.3357 41 L 4.1165 7.9446 120.5016 57.2363 41.5023 179.5064 42 G 3.6263 7.9883 105.3876 47.2823 0.0000 175.7041 43 E 4.0269 7.9333 120.0804 59.0408 29.5666 178.9580 44 I 3.9765 7.8925 118.1908 63.5381 38.1197 177.4683 45 T 4.3791 8.4115 109.7330 65.4322 69.4688 174.6214 46 G 3.5879 7.0921 113.0703 44.5948 0.0000 173.5177 47 Q 4.4775 7.4756 118.5632 54.4063 31.0546 173.3192 48 M 4.4645 8.2482 117.5771 54.0617 32.9944 174.2297 49 P 4.8367 0.0000 0.0000 62.4090 33.4585 175.4038 50 V 4.5638 8.2481 112.2406 59.2668 35.4449 176.1864 51 R 4.5899 8.6379 122.4916 56.7684 31.5773 176.2925 52 T 4.5042 8.6063 116.4131 61.9710 71.8810 174.6059 53 K 5.3695 8.9244 125.8779 55.0676 33.9012 175.4088 54 A 4.8687 8.0199 121.7205 50.4762 22.4429 175.4799 55 K 4.5831 8.1348 116.8649 55.6224 36.0580 173.3425 56 R 4.0803 8.7720 127.8161 55.8334 30.1463 176.7050 57 T 4.1585 8.4063 118.8657 63.5182 69.0775 173.9345 58 V 4.4847 8.5363 125.0845 60.7480 34.0818 176.9021 59 G 3.6729 8.6550 114.2732 47.8586 0.0000 174.1147 60 E 4.2313 8.0427 120.0300 57.2803 28.7553 176.4393 61 F 4.1247 7.8528 120.0657 60.2943 38.9643 175.5672 62 D 4.6669 7.6759 117.9041 52.6540 41.2996 175.3389 63 I 3.7010 7.4901 115.5406 63.1519 38.7902 177.4006 64 R 3.8057 7.6734 121.5656 55.8854 28.9553 174.8140 65 E 3.8527 8.2289 129.0297 58.9787 29.7713 176.5186 66 G 4.2238 7.9337 117.1952 45.7360 0.0000 171.0540 67 D 4.7947 8.1517 124.0920 51.1735 42.6841 173.2635 68 P 4.5142 0.0000 0.0000 63.9495 31.5562 176.1064 69 I 4.5434 8.5702 119.9091 62.2725 42.0101 174.7605 70 G 4.0807 7.9240 106.2399 47.2649 0.0000 171.8706 71 A 5.7413 8.5122 120.5733 51.7790 23.1876 175.5909 72 K 4.9866 8.2607 116.6438 56.0486 36.6377 175.4019 73 V 4.4252 8.4622 120.8665 61.6647 34.6806 174.1373 74 T 4.5115 8.5302 119.6094 60.6418 69.5353 174.0921 75 L 4.5719 8.7370 127.8600 53.6616 43.5545 176.3547 76 R 4.8568 7.9119 120.2968 54.8345 34.3241 176.1505 77 D 4.3352 8.9646 120.6029 55.5275 39.1582 176.2543 78 E 3.9703 9.0071 123.4890 61.1196 28.8928 178.4256 79 M 4.1463 8.2740 117.6926 58.4710 31.8282 178.6971 80 A 3.9582 7.8843 120.4648 55.0344 18.7269 179.5385 81 E 3.9425 8.0996 116.5222 59.8187 29.5359 179.3217 82 E 3.9400 8.4609 117.2668 59.0378 29.7179 178.8726 83 F 4.3655 7.7244 120.5240 60.8924 39.6874 177.5918 84 L 4.1249 8.2834 118.6262 57.6931 41.1678 179.3443 85 Q 3.9938 8.2466 117.6195 57.9524 28.6126 177.6088 86 T 4.3828 7.5669 107.7301 61.5141 70.5082 175.7364 87 A 4.0423 7.5593 123.9541 54.7868 18.7735 179.2386 88 L 3.7053 7.9021 117.4976 57.6299 41.5006 177.9660 89 P 4.2175 0.0000 0.0000 65.5941 31.4053 178.1260 90 L 4.1625 7.5534 114.9080 55.2252 41.7714 176.7042 91 A 4.8073 7.2086 121.4610 50.2706 21.5925 176.3168 92 E 4.4864 8.2134 120.0813 53.7774 29.2353 175.3989 93 L 4.2100 8.2925 121.2767 54.1262 42.4131 176.5439 94 A 5.0411 8.3736 124.0699 49.7337 22.4793 176.1866 95 T 4.2006 8.4835 113.8458 66.7402 68.7879 177.9629 96 S 4.2863 8.1401 113.8037 61.2187 62.6095 175.1468 97 Q 4.2984 8.3632 117.8966 56.7231 28.3958 174.9254 98 F 5.0566 7.9449 117.6279 55.4464 41.0569 175.4298 99 D 4.6812 9.4154 125.4856 53.9451 41.7378 176.9521 100 D 4.4990 8.5678 122.6379 57.4576 41.2494 178.4470 101 T 4.0259 7.8467 115.9906 67.2465 68.5216 174.2871 102 G 3.4445 6.7524 108.7534 45.2271 0.0000 172.7858 103 N 5.2359 8.0931 118.7938 51.6855 41.9561 173.5034 104 F 5.2340 7.9561 112.6179 56.4059 41.2824 173.2457 105 S 5.1041 8.6412 115.6198 56.7151 65.5208 172.4340 106 F 4.8246 8.3942 119.5417 56.6193 41.4887 174.3665 107 G 3.8016 8.8130 105.2889 45.1929 0.0000 174.3698 *128 L 3.9901 8.2285 125.6550 55.0433 42.9110 176.6890 129 D 4.7418 8.7043 127.0314 53.5703 42.8750 176.3138 130 V 4.3023 8.0956 121.6848 61.5516 34.2834 173.9337 131 T 4.6617 8.3935 125.2189 61.5832 70.8688 174.0579 132 V 4.4302 7.8314 125.3623 60.9863 34.2429 173.7979 133 N 4.8886 9.5016 128.7989 52.7560 39.7965 173.6211 134 L 5.2866 8.0715 126.1840 53.2216 44.6894 175.9881 135 V 4.1271 7.7222 119.4464 60.9966 34.9180 172.3221 136 R 3.9177 8.6778 120.3763 55.9812 30.5527 174.6373 137 P 3.4810 0.0000 0.0000 66.9028 32.3346 177.8337 138 G 3.9865 8.1275 110.2153 45.9379 0.0000 174.0983 139 Y 4.0453 7.8215 119.7889 59.7407 39.3514 175.7547 140 R 3.8202 8.1528 119.4981 59.5111 29.9011 177.9325 141 V 3.4633 7.2935 117.5243 65.7033 31.1819 177.0494 142 A 4.7138 7.3792 118.6939 51.6560 19.2329 177.5796 143 K 4.1634 7.3478 115.0538 56.4226 33.5656 176.8375 144 R 4.2248 7.7155 115.4340 55.6458 30.2235 176.3715 145 D 4.4538 8.2760 117.4307 56.7528 40.5948 177.3868 146 K 3.9758 7.8751 117.9321 57.3670 32.5023 177.1877 147 A 3.9719 8.7867 126.8438 52.6620 16.2782 177.0524 148 S 4.5234 7.1640 113.2978 60.5164 64.0733 173.7180 149 R 4.6654 8.7188 120.6535 54.8437 33.8469 173.8883 150 S 4.5666 8.5905 120.0079 57.6773 63.3701 173.8427 151 I 3.8134 8.3489 127.9283 60.6758 37.5506 174.3206 152 P 4.4068 0.0000 0.0000 62.6881 32.2276 177.2771 153 T 3.8970 8.7585 112.6009 65.3679 68.0758 176.7179 154 K 4.0486 8.0782 119.6334 58.8119 32.2345 177.6273 155 H 4.5798 8.0761 116.1401 55.5857 30.5665 175.3926 156 R 4.0999 7.1590 119.3386 56.1850 30.4897 176.2019 157 L 4.2116 8.2642 123.4048 55.1560 43.1318 175.8695 158 N 5.1970 8.1584 117.2025 49.9839 43.4635 174.0166 159 P 4.3237 0.0000 0.0000 65.6931 31.5553 178.9014 160 A 3.8398 7.8634 118.9334 55.4599 18.3276 179.3760 161 D 4.3807 8.1147 116.2320 56.9109 40.7376 178.9486 162 A 4.0883 7.9565 121.7685 55.1076 18.5336 179.4975 163 V 3.2122 7.5829 116.6252 66.0747 31.4239 177.7442 164 A 4.0341 7.9054 120.1611 55.2929 18.0028 179.2197 165 F 4.0943 7.7887 117.2357 61.5595 39.8046 177.1701 166 I 3.6075 8.0955 119.3167 64.4719 36.7885 177.9704 167 E 4.6392 8.4537 120.6455 58.5295 29.2985 177.7358 168 S 4.5668 7.6456 111.4806 57.8519 64.2893 175.1781 169 T 4.7296 7.6061 114.9377 63.0943 70.7643 173.2815 170 Y 3.4060 7.7290 123.2241 56.9913 35.3597 167.9096 171 D 4.3502 6.5713 119.2039 53.4588 42.1345 175.8252 172 V 4.6517 8.0593 117.6553 61.0144 34.9636 175.4530 173 E 4.3491 8.4128 123.9145 56.1509 31.2976 176.4394 174 V 4.2735 8.2701 116.3769 62.8856 32.6209 173.3236 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 10 F 8.17 4.89 0.00 3.36 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 11 H 6.06 3.31 0.00 3.00 2.32 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.36 3.90 0.00 1.71 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 2.31 2.19 0.00 13 M 7.30 4.50 0.00 2.18 2.09 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 2.65 2.65 0.00 14 R 7.69 4.53 0.00 1.95 1.86 0.00 3.28 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 15 E 8.01 4.04 0.00 2.18 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 0.00 2.54 2.23 0.00 16 P 0.00 4.47 0.00 0.91 1.59 0.00 3.58 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 1.93 1.95 0.00 17 R 8.08 4.43 0.00 1.82 1.86 0.00 2.75 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 18 I 8.25 4.25 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.96 0.00 0.00 19 E 9.32 4.22 0.00 1.90 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 2.21 2.03 0.00 20 K 7.35 4.57 0.00 1.83 1.81 0.00 1.46 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.28 7.81 21 V 8.32 4.47 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 1.02 0.00 0.00 0.97 0.00 0.00 22 V 8.53 4.58 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 0.81 0.00 0.00 0.85 0.00 0.00 23 V 8.17 4.66 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 0.20 0.00 0.00 0.67 0.00 0.00 24 H 9.05 5.28 0.00 3.17 2.97 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.48 4.52 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.18 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 27 I 8.02 3.60 2.02 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 1.22 0.66 0.71 0.00 0.00 28 G 7.90 3.32 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 0.00 29 H 7.49 4.39 0.00 3.15 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.81 4.23 1.27 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 0.00 0.00 36 N 9.06 4.52 0.00 2.85 2.96 0.00 0.00 5.83 7.26 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 37 A 7.74 4.54 1.29 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 38 E 8.17 3.82 0.00 2.04 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 2.31 2.45 0.00 39 D 8.13 4.41 0.00 2.68 2.73 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 40 I 7.31 3.73 1.89 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 1.71 0.79 0.92 0.00 0.00 41 L 7.94 4.12 0.00 1.83 1.71 0.92 0.87 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 42 G 7.99 3.63 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 0.00 0.00 0.00 43 E 7.93 4.03 0.00 2.13 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 2.35 2.46 0.00 44 I 7.89 3.98 2.03 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 1.90 0.83 1.13 0.00 0.00 45 T 8.41 4.38 4.02 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 0.00 0.00 0.85 0.00 0.00 46 G 7.09 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.48 4.48 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 48 M 8.25 4.46 0.00 1.97 1.98 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 2.52 2.49 0.00 49 P 0.00 4.84 0.00 2.08 2.00 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 50 V 8.25 4.56 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 0.80 0.00 0.00 0.97 0.00 0.00 51 R 8.64 4.59 0.00 1.68 1.85 0.00 3.29 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 T 8.61 4.50 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 1.19 0.00 0.00 53 K 8.92 5.37 0.00 1.62 1.74 0.00 1.72 0.00 0.00 2.35 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.26 7.81 54 A 8.02 4.87 1.11 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 55 K 8.13 4.58 0.00 1.58 1.66 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 56 R 8.77 4.08 0.00 1.97 1.99 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 57 T 8.41 4.16 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 1.22 0.00 0.00 58 V 8.54 4.48 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 0.99 0.00 0.00 0.92 0.00 0.00 59 G 8.66 3.67 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 0.00 60 E 8.04 4.23 0.00 2.14 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 2.29 2.32 0.00 61 F 7.85 4.12 0.00 2.98 3.11 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 62 D 7.68 4.67 0.00 2.83 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.70 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.97 0.00 0.00 64 R 7.67 3.81 0.00 1.70 2.03 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 65 E 8.23 3.85 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 66 G 7.93 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 0.00 0.00 0.00 0.00 67 D 8.15 4.79 0.00 2.64 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 68 P 0.00 4.51 0.00 1.93 2.03 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 69 I 8.57 4.54 2.01 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 1.12 0.94 0.88 0.00 0.00 70 G 7.92 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 71 A 8.51 5.74 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 72 K 8.26 4.99 0.00 1.75 1.86 0.00 1.40 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 8.46 4.43 1.91 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 0.88 0.00 0.00 0.85 0.00 0.00 74 T 8.53 4.51 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 1.15 0.00 0.00 75 L 8.74 4.57 0.00 1.59 1.62 0.49 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.91 4.86 0.00 1.61 1.76 0.00 3.32 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 77 D 8.96 4.34 0.00 2.88 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 0.00 0.00 0.00 78 E 9.01 3.97 0.00 2.02 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 2.42 2.43 0.00 79 M 8.27 4.15 0.00 2.01 2.27 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 2.69 2.58 0.00 80 A 7.88 3.96 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 81 E 8.10 3.94 0.00 2.05 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 2.60 0.00 82 E 8.46 3.94 0.00 2.01 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 2.36 2.47 0.00 83 F 7.72 4.37 0.00 3.08 3.28 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 0.00 84 L 8.28 4.12 0.00 1.95 1.79 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.25 3.99 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.53 0.00 86 T 7.57 4.38 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 87 A 7.56 4.04 1.03 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 0.00 0.00 88 L 7.90 3.71 0.00 1.76 1.67 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.22 0.00 1.97 2.10 0.00 3.67 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 2.14 2.15 0.00 90 L 7.55 4.16 0.00 1.79 1.75 0.90 0.66 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 91 A 7.21 4.81 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 92 E 8.21 4.49 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 93 L 8.29 4.21 0.00 1.58 1.60 0.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.37 5.04 1.28 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 0.00 0.00 0.00 95 T 8.48 4.20 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 1.19 0.00 0.00 96 S 8.14 4.29 0.00 4.03 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 97 Q 8.36 4.30 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 98 F 7.94 5.06 0.00 3.18 3.05 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 0.00 0.00 0.00 99 D 9.42 4.68 0.00 2.79 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 0.00 100 D 8.57 4.50 0.00 2.73 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 0.00 101 T 7.85 4.03 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 0.00 102 G 6.75 3.44 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 0.00 0.00 0.00 103 N 8.09 5.24 0.00 2.73 2.79 0.00 0.00 6.56 8.13 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 0.00 104 F 7.96 5.23 0.00 2.64 1.77 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 0.00 105 S 8.64 5.10 0.00 3.74 3.68 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 0.00 106 F 8.39 4.82 0.00 3.15 3.18 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 0.00 107 G 8.81 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 0.00 0.00 0.00 *128 L 8.23 3.99 0.00 1.69 1.68 0.95 1.16 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 0.00 129 D 8.70 4.74 0.00 2.75 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 0.00 130 V 8.10 4.30 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 0.93 0.00 0.00 0.86 0.00 0.00 131 T 8.39 4.66 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 1.04 0.00 0.00 132 V 7.83 4.43 1.01 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 1.00 0.00 0.00 0.71 0.00 0.00 133 N 9.50 4.89 0.00 2.73 2.77 0.00 0.00 6.60 6.27 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 0.00 134 L 8.07 5.29 0.00 1.76 1.52 1.31 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.72 4.13 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 0.15 0.00 0.00 0.57 0.00 0.00 136 R 8.68 3.92 0.00 1.63 1.79 0.00 3.18 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 137 P 0.00 3.48 0.00 2.08 1.93 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 138 G 8.13 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 0.00 139 Y 7.82 4.05 0.00 3.21 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 0.00 140 R 8.15 3.82 0.00 1.92 1.92 0.00 3.25 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 141 V 7.29 3.46 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 1.03 0.00 0.00 0.98 0.00 0.00 142 A 7.38 4.71 1.07 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 0.00 0.00 143 K 7.35 4.16 0.00 1.59 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.78 1.27 7.81 144 R 7.72 4.22 0.00 1.88 1.91 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.55 0.00 145 D 8.28 4.45 0.00 2.67 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 0.00 146 K 7.88 3.98 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.79 3.97 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 0.00 148 S 7.16 4.52 0.00 4.02 4.05 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 0.00 0.00 0.00 149 R 8.72 4.67 0.00 1.87 1.71 0.00 3.12 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 150 S 8.59 4.57 0.00 3.91 3.74 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 0.00 151 I 8.35 3.81 1.99 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 1.16 1.05 0.00 0.00 152 P 0.00 4.41 0.00 2.21 2.00 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.76 3.90 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 0.00 154 K 8.08 4.05 0.00 1.77 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.08 4.58 0.00 3.14 3.44 0.00 5.95 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.16 4.10 0.00 2.12 1.88 0.00 3.44 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 157 L 8.26 4.21 0.00 1.53 1.76 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.16 5.20 0.00 2.87 2.65 0.00 0.00 6.81 8.03 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 0.00 159 P 0.00 4.32 0.00 2.14 2.15 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.50 0.00 160 A 7.86 3.84 1.27 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 0.00 0.00 161 D 8.11 4.38 0.00 2.70 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 0.00 162 A 7.96 4.09 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 0.00 0.00 0.00 163 V 7.58 3.21 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 0.80 0.00 0.00 0.04 0.00 0.00 164 A 7.91 4.03 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 0.00 165 F 7.79 4.09 0.00 2.97 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 0.00 166 I 8.10 3.61 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.04 0.91 0.00 0.00 167 E 8.45 4.64 0.00 1.98 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 2.27 2.13 0.00 168 S 7.65 4.57 0.00 3.95 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 0.00 169 T 7.61 4.73 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 170 Y 7.73 3.41 0.00 2.95 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 0.00 171 D 6.57 4.35 0.00 2.81 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 0.00 172 V 8.06 4.65 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 0.85 0.00 0.00 0.90 0.00 0.00 173 E 8.41 4.35 0.00 2.00 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 2.38 2.23 0.00 174 V 8.27 4.27 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 0.98 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.