NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.7388 8.2833 119.2102 53.2111 41.1452 176.2684 14 P 4.1914 0.0000 0.0000 65.5187 31.2601 177.8575 *15 L 4.0803 8.7298 122.1001 59.4615 41.4867 180.4318 16 D 4.6606 8.0737 119.1082 57.3892 40.7553 178.9395 17 K 4.2671 8.5735 119.3697 59.0061 31.9959 179.2726 18 W 4.2503 8.4420 128.8592 60.4897 30.6497 177.5217 19 N 4.2393 8.6022 117.0251 56.7326 38.5338 176.4953 20 D 4.5291 8.0840 119.8366 57.7120 40.8708 178.9445 21 I 3.7874 8.0475 120.3411 64.2984 36.8029 178.7194 22 I 3.4545 7.6240 120.2065 64.2779 37.0394 178.0803 23 F 4.3633 8.2016 115.6569 58.9261 39.0428 175.8637 24 H 4.7311 7.8307 113.3805 55.4317 30.0925 174.6149 25 A 4.2953 7.4101 122.8168 50.9128 19.2289 177.9211 26 S 4.1561 8.2926 114.6140 58.2952 64.9030 175.1864 27 K 3.3597 8.5427 124.6912 59.7080 31.8553 178.9108 28 K 3.8486 7.7964 118.9915 59.5477 32.3406 178.6950 29 L 4.0047 7.4552 118.1210 57.7627 41.5456 179.6652 30 S 4.1311 7.9460 114.2506 60.9141 62.9159 176.5669 31 K 3.9596 7.8437 123.3070 59.1766 31.9970 178.7285 32 K 3.9464 7.9321 119.7463 59.4541 32.0995 178.4351 33 E 4.0141 8.1033 119.0852 59.3760 29.6371 178.8043 34 L 4.2904 8.2060 119.0932 57.9689 41.6645 179.3592 35 E 4.1189 8.6768 118.7615 59.2294 29.3499 179.3383 36 R 3.9183 8.2355 118.7948 59.6085 30.2214 178.6321 37 L 4.0911 8.0013 118.5791 57.6302 41.4835 179.3914 38 L 3.8721 8.0977 120.4349 58.0177 42.0408 178.5352 39 E 3.9034 8.3571 119.4343 59.2662 29.4796 178.5596 40 L 4.0948 7.9883 120.3843 57.9775 42.1575 178.7464 41 L 3.9013 8.0546 120.1346 58.1106 42.0777 178.7974 42 A 4.0213 8.3026 121.0565 55.0489 18.3127 179.6052 43 L 4.1630 8.5139 117.8610 58.0450 41.8141 179.7504 44 L 4.1500 8.3364 119.0293 58.0336 41.7174 179.4825 45 E 3.8554 8.2474 118.4123 59.7148 29.3602 179.6643 46 T 3.9360 8.0799 115.8351 66.4170 68.4536 176.4795 47 F 3.2376 8.2535 122.5753 61.0831 39.2678 177.0743 48 I 3.4619 7.6596 119.2522 64.4392 36.7964 178.3386 49 E 3.8438 7.8686 118.6631 59.3428 29.1449 179.2891 50 K 3.8340 8.1103 118.6523 58.9629 32.2883 177.3837 51 E 4.0269 7.7334 116.8452 54.8645 30.0128 174.8457 52 D 4.5169 7.7765 115.6875 55.5434 40.2504 174.1124 53 L 4.6619 8.2795 114.8991 54.3827 41.6268 177.2164 54 E 3.9419 8.1673 120.5979 59.8978 29.3910 179.1095 55 E 4.0004 8.0829 116.5452 59.4944 29.5259 178.8289 56 K 4.0257 8.0815 120.2584 59.0588 32.2714 178.3947 57 F 3.2532 8.3342 121.4312 60.7653 39.1226 177.1266 58 E 3.7913 8.0150 118.5078 59.2362 29.0845 179.2724 59 S 4.1640 8.0004 112.6102 60.2909 63.0686 175.9226 60 F 4.3640 7.5889 123.4342 61.0975 38.8968 177.2988 61 A 3.7160 8.0166 123.1462 55.4012 18.0965 180.4067 62 K 3.8936 8.1316 122.3619 59.7099 31.7740 182.2417 63 A 4.1917 7.5086 119.9936 54.5777 17.9296 179.3137 64 L 3.8805 7.2480 119.8184 58.7508 42.0934 179.6327 65 R 4.2505 7.7902 121.8581 60.8432 29.3254 181.5485 66 I 4.8559 7.4147 113.8356 58.9601 37.4161 179.0681 67 D 4.8455 8.0200 122.5902 53.2988 43.9119 175.9772 68 E 4.1064 8.7227 126.5533 61.2969 29.8675 175.2834 69 E 4.1651 8.2364 119.4106 59.0280 29.5553 179.2181 70 L 3.9291 7.6328 119.0531 58.3024 42.2697 178.6756 71 Q 4.0328 8.0002 120.3584 59.9200 28.5995 180.1402 *72 Q 4.0153 7.8856 121.1779 60.2750 28.0016 180.5849 73 K 4.1988 7.8382 120.8144 58.7993 31.8958 179.5411 74 I 3.9062 7.7736 120.2017 64.0327 37.2863 177.8258 75 E 3.9199 8.1444 119.3936 59.6227 29.1678 179.5616 76 S 4.0707 8.2744 113.0871 61.4123 62.5362 176.2196 77 R 3.9722 7.7128 121.0508 58.9179 29.6614 178.6905 78 K 3.9026 8.2497 119.1587 59.4560 31.9950 179.2222 79 T 3.8119 7.6455 109.8495 64.9920 68.4557 176.1526 80 D 4.3176 7.8847 121.5293 57.0078 40.8181 178.7767 81 I 3.6314 7.7203 120.2241 64.4122 37.0328 178.6032 82 V 3.2887 7.8280 119.2375 65.9469 31.2791 178.1868 83 I 3.7415 7.9637 119.6091 64.3254 36.9408 178.1001 84 Q 3.9725 8.3461 120.7239 59.2251 28.9771 178.1392 85 S 4.7023 8.4169 115.7929 61.3961 62.0857 176.2021 86 M 4.1958 8.5796 121.1772 58.2967 31.7956 178.6711 87 A 4.0529 8.2940 121.0554 55.1199 18.6454 179.3728 88 N 4.3091 8.4158 115.0703 56.6701 38.4502 177.5803 89 I 3.7758 7.4161 119.2466 64.5400 37.2525 178.2307 90 L 4.1499 7.5097 118.3526 57.7176 41.5108 179.1177 91 S 4.4124 7.7952 112.2353 58.3445 62.3404 172.2989 92 G 3.5793 7.3860 112.2901 45.5810 0.0000 172.5356 *101 G 3.7842 8.0850 114.7154 44.8679 0.0000 171.1425 102 N 4.2452 8.8986 115.8803 56.6374 38.6985 175.4377 103 P 4.2916 0.0000 0.0000 65.7965 31.4501 178.6338 104 L 4.2459 7.9271 117.1868 57.7073 41.6285 179.1206 105 D 4.4336 8.4726 119.1986 57.3477 40.7580 178.9539 106 K 4.2044 8.4261 119.2302 59.2189 31.9795 179.1869 107 W 4.2613 8.4402 128.7195 60.4879 30.6102 177.5199 108 N 4.1649 8.4778 117.0086 56.6695 38.4867 176.4108 109 D 4.4781 8.1599 120.2609 57.5957 40.9755 178.9696 110 I 3.7073 7.8924 119.9919 64.5092 36.9308 178.5001 111 I 3.3597 7.3382 119.3428 64.3535 36.9399 178.1527 112 F 4.3870 7.9280 116.0584 59.1724 38.9979 176.4708 113 H 4.8197 7.7865 113.1041 54.6142 29.9918 174.4186 114 A 4.1630 7.2323 123.7160 51.2695 19.1138 177.6741 115 S 4.1303 8.6295 116.0691 59.2635 63.3969 175.8331 116 K 3.6421 8.7452 133.8264 59.7587 31.3749 175.6528 117 K 4.0891 7.8329 118.7282 59.7475 32.2719 178.8680 118 L 4.0442 7.6674 119.1119 57.6686 41.5821 179.4245 119 S 4.1311 8.0482 114.4135 60.9743 62.9123 176.5808 120 K 3.9271 7.7712 122.8504 59.2504 32.0306 178.7029 121 K 3.9303 7.9172 119.6985 59.4252 31.9352 178.3939 122 E 3.9907 8.2059 119.4436 59.4303 29.6834 178.7879 123 L 4.2932 8.4256 119.4534 57.9673 41.6128 179.4205 124 E 4.0659 8.7170 118.8374 59.2720 29.3863 179.2906 125 R 3.9110 8.1781 118.7929 59.5707 30.2062 178.6328 126 L 4.0859 8.0265 118.6260 57.5520 41.5008 179.3370 127 L 3.8268 7.8860 120.3805 57.9537 41.9903 178.4488 128 E 3.8765 8.2986 119.4160 59.3201 29.5027 178.4260 129 L 4.0501 7.8652 120.1634 58.1656 42.1433 178.6846 130 L 3.9091 8.0321 119.8676 58.2178 41.9788 178.7988 131 A 4.0465 8.2378 120.8409 55.0336 18.2722 179.6925 132 L 4.1987 8.4205 117.9242 58.1034 41.8381 179.6385 133 L 4.0180 8.4267 119.2842 58.0387 41.4241 179.5887 134 E 3.9108 8.3114 118.4116 59.5658 29.3527 179.5876 135 T 3.9842 7.9697 115.7804 66.2469 68.4494 176.6800 136 F 3.1567 8.3798 122.5932 61.0447 39.4583 176.8459 137 I 3.5723 7.7140 119.3861 64.7004 36.9525 178.2025 138 E 4.0128 7.7528 118.9474 59.2670 29.0906 179.2919 139 K 3.8254 7.6338 118.3548 59.3760 32.3752 177.7803 140 E 3.8671 7.8329 116.6614 55.7762 29.9284 175.5658 141 D 4.5642 7.4834 116.0456 55.5613 39.0448 174.5394 142 L 4.6603 8.2010 115.9694 54.7236 41.9788 177.4463 143 E 3.9379 8.0639 121.2731 59.8091 29.3760 179.1660 144 E 4.2512 8.0890 117.7226 59.4047 29.4355 179.2488 145 K 4.1533 8.0698 119.3974 58.9531 32.2687 178.9860 146 F 2.9713 8.3775 121.1916 60.6931 39.1353 177.1669 147 E 3.8248 8.0370 118.0193 59.3560 29.1521 179.2085 148 S 4.2831 8.4788 113.3583 60.1113 62.7181 175.5610 149 F 4.3803 7.7251 124.5572 60.5614 39.3187 176.8117 150 A 3.6901 7.2820 118.0566 53.5579 18.4595 178.9673 151 K 3.9761 7.9236 117.8384 58.5416 32.3992 177.7462 152 A 4.4419 6.9885 117.9321 51.8682 19.4388 178.2315 153 L 3.8365 7.1133 123.8272 58.7114 41.9473 179.5870 154 R 3.8413 7.8207 115.8320 59.3570 29.2139 179.2391 155 I 4.0002 7.6185 108.3860 61.3508 38.0081 175.6553 156 D 4.7051 7.7359 125.1086 52.8606 40.8034 176.5232 157 E 4.0448 8.3613 125.0013 60.4018 29.9237 177.2791 158 E 4.0895 8.1001 118.1894 59.7191 29.7524 179.1253 159 L 4.0031 7.8345 119.4689 58.0698 42.0899 178.8595 160 Q 3.9223 8.0402 119.8610 59.0656 28.9234 177.9556 161 Q 3.9484 8.1063 120.7574 58.8399 29.0793 177.8896 162 K 3.8993 8.0388 120.7823 59.5848 32.1421 178.8756 163 I 3.7356 7.6975 119.7012 64.5077 37.2084 178.1893 164 E 3.9277 8.0854 119.4034 59.5214 29.3973 179.5047 165 S 4.0830 8.2713 113.1931 61.4221 62.4330 176.2456 166 R 3.9546 8.1229 121.3675 58.9967 29.7028 178.7328 167 K 3.8726 8.2760 119.1074 59.5462 31.9936 179.3127 168 T 3.8584 7.7193 109.6324 64.9003 68.5249 176.2132 169 D 4.2983 7.9696 121.2026 57.1469 40.8344 178.7519 170 I 3.6320 7.8475 120.4355 64.2486 37.0511 178.5057 171 V 3.1413 7.8525 119.3924 65.9906 31.2367 178.0567 172 I 3.7119 7.9294 119.5679 64.4492 36.8904 178.0820 173 Q 3.9726 8.0758 120.2861 59.2758 28.9903 178.3519 174 S 4.5944 8.1730 115.3558 61.3808 62.5400 176.1160 175 M 4.2014 8.7193 121.5699 58.3190 31.5912 178.6391 176 A 4.0579 8.5245 121.4456 55.1595 18.3193 179.4642 177 N 4.3063 8.3066 114.3275 56.5212 38.8163 177.3688 178 I 3.9352 7.8346 123.2007 65.1024 37.0051 179.1908 179 L 4.0533 7.8411 121.8534 59.4834 40.7797 180.7734 180 S 4.5318 8.3678 113.0910 60.9642 62.3439 174.7619 181 G 3.8696 7.7140 112.4816 44.9395 0.0000 173.0686 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 13 N 8.28 4.74 0.00 2.84 2.89 0.00 0.00 7.07 6.82 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 14 P 0.00 4.19 0.00 2.29 2.11 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 *15 L 8.73 4.08 0.00 1.65 1.67 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.07 4.66 0.00 2.92 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 17 K 8.57 4.27 0.00 1.98 1.93 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.67 7.81 18 W 8.44 4.25 0.00 3.50 3.47 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 19 N 8.60 4.24 0.00 2.95 3.04 0.00 0.00 7.25 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 20 D 8.08 4.53 0.00 2.98 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 21 I 8.05 3.79 2.00 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 1.79 1.17 0.92 0.00 0.00 22 I 7.62 3.45 1.30 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.27 0.00 0.00 23 F 8.20 4.36 0.00 2.99 3.02 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 0.00 24 H 7.83 4.73 0.00 3.26 3.35 0.00 5.85 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 25 A 7.41 4.30 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 26 S 8.29 4.16 0.00 3.99 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 27 K 8.54 3.36 0.00 1.56 1.71 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.19 1.23 7.81 28 K 7.80 3.85 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 29 L 7.46 4.00 0.00 1.72 1.67 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.95 4.13 0.00 3.94 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 31 K 7.84 3.96 0.00 1.90 1.92 0.00 1.73 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.50 7.81 32 K 7.93 3.95 0.00 1.91 1.95 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 E 8.10 4.01 0.00 2.20 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 2.43 2.56 0.00 34 L 8.21 4.29 0.00 1.99 2.16 0.74 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.68 4.12 0.00 2.33 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 2.46 2.60 0.00 36 R 8.24 3.92 0.00 2.05 2.19 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 37 L 8.00 4.09 0.00 2.11 1.83 1.28 0.58 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 38 L 8.10 3.87 0.00 1.83 1.59 0.15 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.36 3.90 0.00 2.17 2.12 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 2.33 2.33 0.00 40 L 7.99 4.09 0.00 1.99 1.88 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.05 3.90 0.00 1.98 1.81 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.30 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 4.16 0.00 2.13 2.10 0.97 0.63 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 44 L 8.34 4.15 0.00 1.63 1.57 0.81 0.35 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 45 E 8.25 3.86 0.00 2.06 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 0.00 2.17 2.39 0.00 46 T 8.08 3.94 4.65 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 1.42 0.00 0.00 47 F 8.25 3.24 0.00 2.48 3.20 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 48 I 7.66 3.46 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.53 0.70 0.00 0.00 49 E 7.87 3.84 0.00 2.13 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 2.46 2.25 0.00 50 K 8.11 3.83 0.00 1.83 1.74 0.00 2.06 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.56 7.81 51 E 7.73 4.03 0.00 1.24 1.49 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 0.00 1.81 2.12 0.00 52 D 7.78 4.52 0.00 2.74 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 53 L 8.28 4.66 0.00 1.71 1.86 0.90 1.30 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 54 E 8.17 3.94 0.00 2.04 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 2.38 2.41 0.00 55 E 8.08 4.00 0.00 2.16 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 0.00 2.38 2.32 0.00 56 K 8.08 4.03 0.00 1.96 2.22 0.00 1.81 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.83 1.68 7.81 57 F 8.33 3.25 0.00 2.15 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 58 E 8.02 3.79 0.00 2.24 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 2.35 2.45 0.00 59 S 8.00 4.16 0.00 4.05 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 60 F 7.59 4.36 0.00 3.40 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 61 A 8.02 3.72 0.75 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 0.00 0.00 62 K 8.13 3.89 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 63 A 7.51 4.19 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.25 3.88 0.00 1.51 1.67 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 1.36 0.72 0.74 0.00 0.00 82 V 7.83 3.29 2.19 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 1.24 0.00 0.00 0.44 0.00 0.00 83 I 7.96 3.74 2.02 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 1.44 0.67 0.94 0.00 0.00 84 Q 8.35 3.97 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 85 S 8.42 4.70 0.00 4.22 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.58 4.20 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.71 0.00 87 A 8.29 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.42 4.31 0.00 3.05 2.93 0.00 0.00 7.03 6.84 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 89 I 7.42 3.78 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.48 0.91 0.00 0.00 90 L 7.51 4.15 0.00 1.81 1.74 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.80 4.41 0.00 4.01 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 92 G 7.39 3.58 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 *101 G 8.09 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 0.00 102 N 8.90 4.25 0.00 2.86 2.87 0.00 0.00 6.92 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 0.00 103 P 0.00 4.29 0.00 2.21 2.11 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 104 L 7.93 4.25 0.00 1.89 2.02 0.94 1.06 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 0.00 105 D 8.47 4.43 0.00 2.98 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 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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 0.00 0.00 115 S 8.63 4.13 0.00 3.87 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 0.00 116 K 8.75 3.64 0.00 1.80 1.83 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.08 7.81 117 K 7.83 4.09 0.00 1.73 1.78 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.44 7.81 118 L 7.67 4.04 0.00 1.80 1.68 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.05 4.13 0.00 3.99 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 0.00 120 K 7.77 3.93 0.00 1.83 1.93 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.49 7.81 121 K 7.92 3.93 0.00 1.91 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 122 E 8.21 3.99 0.00 2.26 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 2.44 2.56 0.00 123 L 8.43 4.29 0.00 1.97 2.23 0.75 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.72 4.07 0.00 2.32 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 2.42 2.57 0.00 125 R 8.18 3.91 0.00 2.06 2.18 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 126 L 8.03 4.09 0.00 2.10 1.83 1.28 0.56 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 0.00 127 L 7.89 3.83 0.00 1.80 1.61 -0.15 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.30 3.88 0.00 2.19 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 2.32 2.32 0.00 129 L 7.87 4.05 0.00 1.99 1.89 1.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.03 3.91 0.00 1.99 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.24 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.20 0.00 2.18 2.17 0.92 0.39 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 0.00 133 L 8.43 4.02 0.00 1.58 1.53 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.31 3.91 0.00 2.02 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 2.19 2.41 0.00 135 T 7.97 3.98 4.70 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 1.45 0.00 0.00 136 F 8.38 3.16 0.00 2.91 3.23 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 0.00 137 I 7.71 3.57 1.86 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 1.76 0.22 0.73 0.00 0.00 138 E 7.75 4.01 0.00 1.91 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 2.36 2.45 0.00 139 K 7.63 3.83 0.00 1.75 1.72 0.00 1.95 0.00 0.00 1.34 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.45 7.81 140 E 7.83 3.87 0.00 1.28 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.16 0.00 141 D 7.48 4.56 0.00 2.82 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 0.00 142 L 8.20 4.66 0.00 1.75 1.99 0.94 1.01 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 0.00 143 E 8.06 3.94 0.00 2.00 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 2.36 0.00 144 E 8.09 4.25 0.00 2.00 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 2.41 2.35 0.00 145 K 8.07 4.15 0.00 2.33 2.24 0.00 2.06 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 0.93 7.81 146 F 8.38 2.97 0.00 2.17 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 0.00 147 E 8.04 3.82 0.00 2.26 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 2.35 2.50 0.00 148 S 8.48 4.28 0.00 4.03 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 0.00 149 F 7.73 4.38 0.00 3.32 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 0.00 150 A 7.28 3.69 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.92 3.98 0.00 1.83 1.79 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 152 A 6.99 4.44 1.26 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 0.00 0.00 153 L 7.11 3.84 0.00 1.47 1.55 0.78 0.61 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 0.00 154 R 7.82 3.84 0.00 1.87 1.85 0.00 3.32 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 155 I 7.62 4.00 1.84 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 1.25 1.03 0.88 0.00 0.00 156 D 7.74 4.71 0.00 2.85 2.56 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 0.00 157 E 8.36 4.04 0.00 2.01 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 0.00 2.31 1.97 0.00 158 E 8.10 4.09 0.00 2.02 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 2.45 2.31 0.00 159 L 7.83 4.00 0.00 1.93 1.57 0.99 0.63 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 0.00 160 Q 8.04 3.92 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 161 Q 8.11 3.95 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 162 K 8.04 3.90 0.00 2.02 1.91 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.36 7.81 163 I 7.70 3.74 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.71 0.93 0.00 0.00 164 E 8.09 3.93 0.00 2.15 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 2.46 2.46 0.00 165 S 8.27 4.08 0.00 3.91 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 R 8.12 3.95 0.00 2.02 2.04 0.00 3.17 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 167 K 8.28 3.87 0.00 2.04 1.75 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 168 T 7.72 3.86 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 1.27 0.00 0.00 169 D 7.97 4.30 0.00 3.01 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 0.00 170 I 7.85 3.63 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.74 0.00 0.00 171 V 7.85 3.14 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 1.21 0.00 0.00 0.46 0.00 0.00 172 I 7.93 3.71 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 1.43 0.60 0.93 0.00 0.00 173 Q 8.08 3.97 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 174 S 8.17 4.59 0.00 4.21 4.31 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 0.00 175 M 8.72 4.20 0.00 2.15 2.31 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 3.05 2.72 0.00 176 A 8.52 4.06 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 0.00 177 N 8.31 4.31 0.00 2.96 2.94 0.00 0.00 7.09 8.24 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 0.00 178 I 7.83 3.94 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.91 0.00 0.00 179 L 7.84 4.05 0.00 1.76 1.59 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.37 4.53 0.00 4.05 4.01 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 0.00 0.00 0.00 181 G 7.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.