NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6925 8.4444 120.3951 55.9344 31.2755 172.0290 6 D 4.8427 7.9666 125.2907 50.9914 43.8429 174.3438 7 P 4.7743 0.0000 0.0000 64.8982 32.2846 178.2607 8 L 3.2820 8.7518 120.0250 57.8660 41.6821 178.7017 9 D 4.2873 7.6846 118.3179 57.0120 40.7935 178.2525 10 D 4.4922 7.8295 119.0564 57.5168 41.1562 178.3658 11 I 3.7546 7.8260 119.0326 64.3500 37.6993 177.9256 12 Q 3.9458 8.0542 117.8923 58.3534 28.5736 177.6624 13 A 4.8410 7.5518 118.9209 51.7791 19.2492 176.7386 14 D 4.5354 7.8669 118.0366 52.9458 40.7864 175.0544 15 P 3.6749 0.0000 0.0000 64.3357 31.1990 177.3811 16 W 4.8621 7.6580 115.2009 56.2248 30.0395 175.8976 17 A 4.1754 7.9327 122.7788 51.8768 18.3881 176.9228 18 L 4.6331 8.2726 123.3135 53.6983 43.6738 175.7467 19 W 5.1702 8.7541 122.3831 54.9853 32.0429 174.7263 20 L 4.7550 8.4620 123.3543 55.1819 43.8471 174.2267 21 S 4.7140 8.3709 111.7156 57.4222 65.8782 173.6492 22 G 3.8715 8.7422 106.4200 47.2911 0.0000 174.2509 *33 Y 4.4429 7.8142 116.1580 57.3197 40.7203 176.8504 34 R 4.0386 7.8783 119.8095 55.8354 31.3798 175.9458 35 R 5.1940 8.4778 122.1246 54.9714 33.1196 174.9613 36 A 5.2910 9.0237 122.5242 51.4434 23.6976 174.5619 37 A 5.1258 8.9166 118.9443 51.0485 23.1097 176.0064 38 V 4.7750 8.3554 112.2481 59.3805 36.0046 174.5389 39 L 4.5462 8.6734 126.6615 54.2308 43.2933 176.7636 40 V 3.9803 8.6592 126.9479 60.8396 32.3031 172.3071 41 A 4.9266 8.1409 127.1254 50.4358 20.6585 175.6335 42 L 5.3506 8.6500 123.1023 52.8670 44.6930 176.5647 43 T 4.4621 8.3098 113.5969 61.8134 69.9200 175.1043 44 R 4.4317 8.7068 125.6710 55.0574 28.9703 174.8427 45 E 4.6187 8.0628 120.9687 54.6037 32.5234 175.9127 46 A 4.0877 8.7392 121.8892 54.7927 18.4583 177.7256 47 D 4.8096 7.5697 115.3460 50.8957 40.8545 172.2058 48 P 4.3052 0.0000 0.0000 62.9108 32.7852 175.3317 49 R 5.0749 8.9272 123.0198 54.3985 33.5282 175.2690 50 V 4.7883 8.1925 121.0056 59.6674 34.1538 174.5424 51 L 4.2559 8.5763 127.4354 54.9538 42.2705 175.7857 52 L 4.9109 8.8105 126.0885 52.9887 46.0848 175.6518 53 T 5.0369 8.7808 110.2970 59.9278 72.7803 172.8356 54 V 4.6422 8.1621 122.3030 61.1075 33.7898 174.9720 55 R 4.5529 8.9182 128.5151 56.0594 31.4270 176.5934 56 S 4.4842 8.5717 118.9143 57.5250 62.5326 173.1128 *63 K 4.0646 8.3301 124.9473 56.2692 33.1778 176.6041 64 G 3.8371 8.4214 111.5703 44.3928 0.0000 172.8634 65 Q 4.1079 8.4807 122.7010 55.9074 30.0718 174.9402 66 I 4.5819 8.2815 128.0146 60.8769 38.1127 175.1718 67 A 4.4260 8.5678 127.2630 51.0443 23.0631 175.2906 68 F 4.6472 8.3343 117.6883 56.2619 40.3388 174.2929 69 P 4.9023 0.0000 0.0000 61.5378 32.4613 177.0081 70 G 3.7663 8.6214 110.5302 47.0093 0.0000 170.8825 71 G 3.9398 7.0338 106.7412 45.5136 0.0000 171.7416 72 S 4.9303 9.0825 116.0087 58.3424 63.3690 175.0410 73 L 4.2479 8.2337 123.1691 55.0390 42.4849 176.9947 74 D 4.8299 9.2333 122.9144 52.8616 43.1669 175.6285 75 A 4.1145 8.4563 122.7831 53.7097 18.6378 178.1010 76 G 3.8847 8.7869 109.7274 45.7062 0.0000 172.7736 77 E 4.6901 7.7432 120.0118 54.7521 31.1401 176.3859 78 T 4.3919 8.5132 116.3590 60.0996 71.5849 174.3653 79 P 4.2216 0.0000 0.0000 66.0917 31.2550 179.0324 80 T 3.8436 7.8618 113.8941 66.8547 68.3462 176.4722 81 Q 3.9567 7.8887 119.7220 58.7734 28.6338 178.8699 82 A 3.9290 8.0813 121.5459 55.0201 18.5091 179.3478 83 A 3.9052 8.2704 119.6903 55.4885 18.5303 179.8834 84 L 3.9203 8.1071 117.5269 57.8702 41.6034 179.7567 85 R 3.8761 8.1962 118.7692 59.4473 29.9466 178.4351 86 E 3.9191 8.5936 118.5169 59.4817 29.5064 179.2453 87 A 3.9863 8.0488 120.7190 55.0935 18.4784 179.4943 88 Q 4.2133 7.8804 119.4667 58.7471 28.9427 178.1075 89 E 4.0367 8.2781 119.0593 59.0743 29.8811 178.9886 90 E 4.2484 8.5002 120.4053 58.2357 29.6733 178.8097 91 V 4.9361 7.7204 108.2660 59.4771 32.7711 175.8282 92 A 3.9269 7.8682 120.8924 53.0832 16.1534 178.1005 93 L 4.1599 7.7751 122.1685 55.6005 42.8574 175.2292 94 D 4.5149 8.6111 126.3963 53.3727 41.9840 174.6941 95 P 4.2108 0.0000 0.0000 65.7720 31.4885 178.2345 96 A 4.0521 8.2385 119.2044 54.2372 18.3042 177.8512 97 A 4.2535 8.1122 117.7381 52.5159 19.0152 177.1795 98 V 4.4011 7.4727 116.5718 61.1320 33.1831 174.8068 99 T 4.4711 8.7514 124.7530 62.0680 69.9707 174.0790 100 L 4.5158 8.5498 127.4276 54.7505 42.0863 176.9211 101 L 4.3933 8.5868 123.1160 54.2349 42.9632 175.5960 102 G 3.7499 8.2600 105.2134 43.7359 0.0000 172.0599 103 E 5.0552 8.1360 114.9888 54.3578 32.7719 175.6923 104 L 4.4235 8.3213 121.6296 53.9349 43.1710 176.3711 105 D 4.6229 8.4815 119.5272 54.4106 41.3469 176.7427 106 D 4.8080 8.8769 121.3646 54.9459 42.2838 175.7004 107 V 4.8263 8.7030 115.4705 59.9835 34.7402 174.7855 108 F 5.6485 9.0669 117.7029 56.1125 41.5285 172.7757 109 T 4.7191 8.2185 113.2753 58.6268 69.8057 172.7760 110 P 4.2873 0.0000 0.0000 66.1264 31.6120 177.6404 111 V 3.6877 7.7879 109.5666 64.1333 32.2096 176.3436 112 G 4.3763 6.3990 118.2755 45.6568 0.0000 172.1054 113 F 5.2265 7.4288 117.7160 56.3112 44.0187 175.0393 114 H 5.5655 9.9347 121.3202 53.9917 31.8762 173.1664 115 V 4.9153 9.3290 123.1581 61.4751 34.6360 174.1804 116 T 5.0574 9.0985 125.2380 60.6364 70.2808 172.3248 117 P 4.4465 0.0000 0.0000 62.0826 32.7555 175.5437 118 V 4.2441 8.5642 126.9083 61.7272 32.5177 175.0910 119 L 4.7481 8.9983 129.3197 54.5818 43.2180 176.3022 120 G 4.4076 8.5588 107.7022 45.4040 0.0000 171.6722 121 R 5.3056 9.2702 121.6432 54.1853 33.1696 174.4930 122 I 5.1263 8.5056 117.9980 58.6696 41.6482 174.7893 123 A 4.4474 8.3889 125.3938 51.2930 19.4355 177.0784 124 P 4.2744 0.0000 0.0000 65.7925 31.5003 179.1581 125 E 4.0220 8.2355 116.5215 59.0436 29.0619 178.8327 126 A 4.0407 7.8645 121.0412 55.1670 18.2615 179.6288 127 L 4.1011 7.8629 117.2045 57.9931 41.4211 179.1263 128 D 4.3787 7.8402 118.0250 57.2454 40.8783 177.5892 129 T 4.4747 7.1754 106.1992 61.1294 68.9786 174.7922 130 L 4.1972 7.4545 121.4996 55.1773 42.3785 176.3587 131 R 4.7211 8.8110 121.3579 54.4337 33.1622 174.6963 132 V 4.2427 8.5772 126.6391 61.8772 32.1837 175.9574 133 T 4.4066 8.4043 114.2952 59.6282 70.8383 173.7493 134 P 4.2636 0.0000 0.0000 65.9417 31.6272 177.8983 135 E 4.1191 8.2802 115.5807 58.3656 30.6684 176.9914 136 V 4.5911 7.7105 120.1945 61.1515 32.4789 175.7772 137 A 4.3912 9.0422 130.9172 54.8116 19.2860 176.8871 138 Q 4.5710 7.7580 110.9266 55.6503 32.2979 173.1662 139 I 4.9882 8.3132 120.2354 59.3942 39.4843 175.3669 140 I 4.7145 8.7162 120.6065 59.2949 40.5996 174.7869 141 T 5.6058 8.2068 113.7310 57.8560 68.1912 171.2774 142 P 3.8054 0.0000 0.0000 63.1767 33.0526 175.5351 143 T 4.5466 9.1656 117.6799 61.0845 68.6009 175.9539 144 L 3.9351 8.8926 127.3041 57.6677 41.5037 179.9418 145 A 3.9895 7.8976 120.4128 55.1182 18.4374 179.3118 146 E 3.9958 8.1590 116.5809 59.7474 29.4674 179.4421 147 L 4.1513 7.7007 117.5653 57.9667 41.6664 179.5913 148 R 4.1359 7.8710 117.1459 58.8587 30.0824 178.3091 149 A 4.2817 7.8448 119.1851 52.7969 19.2540 178.1137 150 V 3.8028 7.2955 117.3712 62.2173 32.2024 175.3656 151 P 4.5882 0.0000 0.0000 61.7505 28.8504 174.6150 152 L 3.9307 7.9339 127.1059 56.6393 43.1163 175.7463 153 V 4.2028 8.6390 125.9688 61.5672 33.2483 174.5886 154 R 4.6281 8.6654 127.1017 54.8042 31.9920 174.7212 155 E 4.7605 8.8489 123.7180 54.4251 33.5253 175.0021 156 R 5.0827 8.1741 119.1838 55.2697 33.3786 174.0759 157 R 4.8214 9.1830 123.0958 54.9009 35.0979 173.8805 158 T 5.0767 8.3558 117.3547 61.9284 70.5661 174.9152 159 L 4.3786 8.9548 126.5463 53.1992 42.7606 176.0673 160 P 4.2568 0.0000 0.0000 65.7880 31.1718 177.2370 161 D 4.5850 8.0804 114.5496 53.2167 39.6297 177.1375 162 G 3.9422 8.3866 109.4129 45.3749 0.0000 174.0036 163 T 4.0813 7.8197 117.5775 63.4922 69.2607 173.9927 164 E 4.6162 8.7919 126.2934 56.5467 30.8002 176.6152 165 V 4.5574 8.5011 121.8025 60.9740 35.2984 172.1151 166 P 4.8688 0.0000 0.0000 62.4117 32.7157 175.3250 167 L 4.7609 8.5338 121.3698 53.2367 45.1153 175.3038 168 Y 5.8297 8.5861 119.6641 55.7330 41.6605 175.3574 169 R 4.9416 8.2515 118.7820 55.3512 35.0830 173.7181 170 Y 4.6868 9.4998 122.7429 55.7641 39.6555 173.6877 171 P 4.8723 0.0000 0.0000 61.7256 31.9312 175.9023 172 W 4.7519 9.0222 135.0000 56.4970 32.7862 175.4877 173 R 3.4465 9.4732 124.1001 56.8296 27.0803 177.3465 174 G 3.9297 8.4866 105.9476 45.0872 0.0000 174.2866 175 L 4.5000 8.1630 120.1159 53.4769 43.2022 175.1402 176 D 5.1996 8.5449 121.1761 52.8724 42.6712 175.6347 177 I 4.3941 8.6027 128.9460 60.0695 38.2301 175.1767 178 W 5.3134 7.9201 123.7833 54.8548 31.6429 176.8812 179 G 3.6132 9.2623 106.7668 46.6062 0.0000 175.5726 180 M 3.2654 7.8292 118.0583 58.8080 31.5981 178.5967 181 T 3.7524 7.2526 114.9113 66.5958 68.6430 176.3656 182 A 4.1137 7.7989 122.0660 54.8767 18.5907 179.5242 183 R 4.0577 7.9944 117.7565 59.5764 30.1011 178.9333 184 V 3.6207 7.8653 118.2491 65.6798 31.4724 177.6939 185 L 3.9072 8.1719 120.3322 58.4565 41.6008 178.5601 186 H 4.3656 8.0755 118.4930 58.8076 30.0727 176.6990 187 D 4.4774 8.0030 120.3404 57.1065 40.3816 178.5137 188 L 3.8950 7.9952 120.4602 58.1039 42.2843 178.6786 189 L 4.1485 7.9120 116.3548 56.0693 41.6101 176.9856 190 E 4.2326 7.6125 123.2967 56.3406 29.9238 175.6186 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 5 H 8.44 4.69 0.00 3.17 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.97 4.84 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.77 0.00 2.68 2.34 0.00 4.10 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 8 L 8.75 3.28 0.00 1.71 1.67 0.57 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.68 4.29 0.00 2.80 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 10 D 7.83 4.49 0.00 2.92 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 11 I 7.83 3.75 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.59 0.00 0.00 12 Q 8.05 3.95 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 1.93 2.17 0.00 13 A 7.55 4.84 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 14 D 7.87 4.54 0.00 2.88 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 15 P 0.00 3.67 0.00 0.49 0.92 0.00 3.45 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 16 W 7.66 4.86 0.00 3.36 3.22 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 17 A 7.93 4.18 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 18 L 8.27 4.63 0.00 1.55 1.57 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.75 5.17 0.00 3.15 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 20 L 8.46 4.75 0.00 1.46 1.61 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.37 4.71 0.00 3.94 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 22 G 8.74 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 *33 Y 7.81 4.44 0.00 2.77 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 34 R 7.88 4.04 0.00 1.00 0.83 0.00 2.69 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 35 R 8.48 5.19 0.00 1.75 1.84 0.00 3.02 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 36 A 9.02 5.29 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 0.00 0.00 0.00 0.00 0.00 37 A 8.92 5.13 1.21 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 0.00 0.00 0.00 38 V 8.36 4.77 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 0.67 0.00 0.00 0.64 0.00 0.00 39 L 8.67 4.55 0.00 1.71 1.53 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.66 3.98 1.79 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 0.60 0.00 0.00 0.08 0.00 0.00 41 A 8.14 4.93 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 42 L 8.65 5.35 0.00 1.50 1.50 0.87 0.63 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 43 T 8.31 4.46 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 44 R 8.71 4.43 0.00 1.89 1.89 0.00 3.29 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 45 E 8.06 4.62 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 46 A 8.74 4.09 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 47 D 7.57 4.81 0.00 2.60 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 48 P 0.00 4.31 0.00 2.07 1.95 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 49 R 8.93 5.07 0.00 1.71 1.75 0.00 3.07 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 50 V 8.19 4.79 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 0.52 0.00 0.00 1.12 0.00 0.00 51 L 8.58 4.26 0.00 1.66 1.65 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.81 4.91 0.00 1.46 1.19 0.41 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.78 5.04 4.20 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 1.18 0.00 0.00 54 V 8.16 4.64 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 1.07 0.00 0.00 0.95 0.00 0.00 55 R 8.92 4.55 0.00 1.76 1.80 0.00 3.30 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 56 S 8.57 4.48 0.00 3.90 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 *63 K 8.33 4.06 0.00 1.83 1.88 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 64 G 8.42 3.84 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 0.00 0.00 0.00 65 Q 8.48 4.11 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 66 I 8.28 4.58 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.75 0.00 0.00 67 A 8.57 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.33 4.65 0.00 2.83 2.96 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 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0.00 1.95 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 2.25 2.38 0.00 78 T 8.51 4.39 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 79 P 0.00 4.22 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 80 T 7.86 3.84 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 1.19 0.00 0.00 81 Q 7.89 3.96 0.00 2.16 2.15 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 2.37 0.00 82 A 8.08 3.93 1.40 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 0.00 0.00 83 A 8.27 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.11 3.92 0.00 1.68 1.72 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.20 3.88 0.00 1.90 2.14 0.00 3.21 0.00 0.00 3.17 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0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 111 V 7.79 3.69 2.15 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 0.71 0.00 0.00 1.01 0.00 0.00 112 G 6.40 4.38 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 0.00 113 F 7.43 5.23 0.00 3.09 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 0.00 114 H 9.93 5.57 0.00 3.05 3.28 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 9.33 4.92 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 0.94 0.00 0.00 1.09 0.00 0.00 116 T 9.10 5.06 4.25 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 1.22 0.00 0.00 117 P 0.00 4.45 0.00 1.91 1.99 0.00 3.68 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 1.99 1.89 0.00 118 V 8.56 4.24 2.00 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 1.30 0.00 0.00 144 L 8.89 3.94 0.00 1.63 1.65 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.90 3.99 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 0.00 146 E 8.16 4.00 0.00 2.32 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 2.55 2.51 0.00 147 L 7.70 4.15 0.00 1.66 1.54 0.53 0.57 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 0.00 148 R 7.87 4.14 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 149 A 7.84 4.28 1.40 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 0.00 0.00 150 V 7.30 3.80 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 1.06 0.00 0.00 1.29 0.00 0.00 151 P 0.00 4.59 0.00 2.23 2.10 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 152 L 7.93 3.93 0.00 1.52 1.59 -0.05 0.99 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 0.00 153 V 8.64 4.20 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 0.89 0.00 0.00 0.97 0.00 0.00 154 R 8.67 4.63 0.00 1.68 1.77 0.00 3.26 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 155 E 8.85 4.76 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 156 R 8.17 5.08 0.00 1.70 1.70 0.00 3.16 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 157 R 9.18 4.82 0.00 1.75 1.77 0.00 3.26 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 158 T 8.36 5.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 159 L 8.95 4.38 0.00 1.86 1.61 0.98 0.93 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 0.00 160 P 0.00 4.26 0.00 2.04 2.14 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 161 D 8.08 4.58 0.00 2.79 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 0.00 162 G 8.39 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 7.82 4.08 4.33 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 1.24 0.00 0.00 164 E 8.79 4.62 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 165 V 8.50 4.56 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 1.01 0.00 0.00 0.92 0.00 0.00 166 P 0.00 4.87 0.00 1.60 1.89 0.00 3.75 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 1.98 2.03 0.00 167 L 8.53 4.76 0.00 1.45 1.58 0.99 0.82 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 0.00 168 Y 8.59 5.83 0.00 2.86 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 0.00 169 R 8.25 4.94 0.00 1.74 2.01 0.00 3.08 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 170 Y 9.50 4.69 0.00 2.91 2.96 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 0.00 171 P 0.00 4.87 0.00 2.01 2.09 0.00 3.70 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 2.21 2.13 0.00 172 W 9.02 4.75 0.00 3.36 3.08 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 0.00 173 R 9.47 3.45 0.00 1.04 1.37 0.00 2.91 0.00 0.00 2.68 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 174 G 8.49 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 0.00 175 L 8.16 4.50 0.00 1.99 1.71 1.11 0.83 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 0.00 176 D 8.54 5.20 0.00 2.71 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 0.00 177 I 8.60 4.39 2.10 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 1.26 0.51 0.76 0.00 0.00 178 W 7.92 5.31 0.00 3.40 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 0.00 179 G 9.26 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 M 7.83 3.27 0.00 0.99 0.57 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.70 0.00 181 T 7.25 3.75 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 182 A 7.80 4.11 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 R 7.99 4.06 0.00 2.18 2.16 0.00 3.36 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 184 V 7.87 3.62 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 185 L 8.17 3.91 0.00 1.94 1.32 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 186 H 8.08 4.37 0.00 3.11 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 D 8.00 4.48 0.00 2.96 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 0.00 188 L 8.00 3.89 0.00 1.55 1.87 0.84 0.84 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 0.00 189 L 7.91 4.15 0.00 1.54 1.65 0.83 0.95 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 0.00 190 E 7.61 4.23 0.00 1.86 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 2.09 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.