NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3107 8.1227 123.5809 52.2799 21.0526 178.9014 9 E 3.7304 8.1186 116.0802 58.5813 29.6539 177.0074 10 L 3.9583 8.0309 120.0462 57.8482 42.6021 178.4805 11 V 3.5726 7.6834 118.1239 65.7806 31.5153 177.8325 12 R 3.8655 8.0243 118.4935 59.5981 29.9561 178.2172 13 D 4.3340 8.2880 118.8296 57.2650 40.7160 178.8099 14 R 3.8541 7.8245 118.9382 59.5340 30.0590 178.4250 15 Q 3.9443 8.1267 119.3669 59.0867 28.9855 177.9696 16 E 3.9279 8.3960 119.8673 59.3470 29.4948 179.3371 17 L 3.9774 7.9249 118.9730 57.7165 41.6083 179.4638 18 I 3.6334 7.8872 119.7721 64.7212 37.1827 178.1568 19 D 4.1987 8.2899 119.4305 57.3028 40.5879 178.8605 20 A 3.9308 7.9792 121.2391 55.2711 18.2957 179.9644 21 R 3.8583 7.9438 116.5583 59.1845 30.0691 179.4557 22 K 3.8879 8.1416 118.6508 59.0924 31.9683 179.2426 23 K 3.7633 7.8161 119.8020 59.4449 32.0409 178.6027 24 E 3.3901 7.8261 118.7208 59.2211 29.1087 179.2635 25 L 3.8452 7.5780 117.7459 57.8526 41.7743 179.4982 26 K 3.7338 7.4289 116.8187 59.0434 31.9374 179.0654 27 A 4.1288 7.2336 119.7077 54.1625 18.4686 177.6412 28 Y 4.1814 7.0408 115.7239 58.7226 38.1238 176.5698 *32 G 3.7561 8.7601 113.7324 45.4881 0.0000 174.7589 33 V 3.4115 7.8087 118.2971 65.7943 31.7666 177.7122 34 T 4.0196 7.8278 108.8397 64.4821 68.6783 176.3438 35 A 4.0376 8.0496 122.6845 54.3604 18.6522 178.4207 36 I 4.2414 7.2720 108.8246 60.8237 38.1247 177.4146 37 K 3.8145 7.7425 123.1842 59.5208 32.0868 176.5811 38 P 4.2650 0.0000 0.0000 65.5775 31.0555 178.5579 39 L 4.0642 7.8388 116.0263 57.9211 41.7641 178.4557 40 Y 3.5831 8.3105 119.7584 60.7371 38.4748 177.8598 41 D 4.2168 8.3150 119.0185 56.8270 41.0198 178.0244 42 S 4.4675 7.5580 111.1147 57.3949 63.9275 173.9711 43 D 4.3697 7.1716 122.8094 54.5788 41.7029 175.7218 44 V 4.1199 8.4905 125.2866 61.5280 32.7315 175.0140 45 N 3.9075 9.9713 128.5237 54.5700 37.4627 174.7337 46 G 3.7738 9.2453 105.2340 44.6569 0.0000 175.5993 47 S 4.0527 7.6466 114.6553 61.1152 62.9377 175.7228 48 N 4.8206 9.0524 116.1222 52.7382 38.7866 176.7520 49 K 2.6941 7.3105 121.7603 59.0699 32.1298 178.7014 50 Q 3.9267 7.9107 118.9296 59.2509 28.7866 178.1107 51 A 4.0362 7.9930 120.9951 55.1338 18.4014 179.3384 52 A 4.1079 8.2749 119.3439 55.0990 18.4236 179.7948 53 K 3.8748 8.6410 117.5579 60.0238 31.9843 179.3896 54 E 3.9929 7.8969 116.6713 59.1936 29.4965 179.4089 55 I 3.9301 7.5871 119.8319 64.5016 37.0969 178.4704 56 L 3.9757 7.9042 118.4537 57.7264 41.4914 179.5601 57 K 4.2097 8.3045 117.4056 58.3155 33.1850 178.2074 58 A 4.2505 7.4799 122.7073 50.3289 15.7841 177.2814 *60 R 4.7074 7.3164 120.8515 55.9270 31.8225 176.4874 61 F 4.6245 7.4108 114.7129 56.4196 38.9979 174.5731 62 E 4.6646 6.8542 118.2324 55.8313 31.3876 176.6766 63 S 3.9932 8.8548 114.8992 61.6433 62.7419 175.4651 64 D 4.7329 7.9983 116.7357 53.8343 40.9354 176.4840 65 G 2.4013 7.7560 110.9905 43.3577 0.0000 172.3804 66 Y 4.7946 6.9780 123.0094 55.0903 41.6466 173.7749 67 F 5.1675 8.6600 118.3410 56.0066 41.7586 175.0421 68 F 5.4732 8.1751 115.5486 55.4367 41.9135 173.2004 69 A 5.2856 8.7061 119.9444 50.8770 22.8465 174.8844 70 Y 5.1539 9.0003 117.4753 56.1043 42.6694 175.6211 71 D 5.8500 9.0738 122.0662 51.9623 41.0311 177.4949 72 S 4.2301 9.1313 114.8605 61.3012 62.6833 175.6972 73 Q 4.0360 8.3317 117.1967 56.0588 28.9929 176.5306 74 G 4.1491 8.7893 107.5541 45.4466 0.0000 173.0278 75 I 4.5686 8.1830 121.8787 60.2503 37.8759 174.8814 76 N 4.3413 9.1597 125.6061 54.2020 39.0618 175.1493 77 T 4.4367 8.3735 116.5708 62.2765 70.8565 174.5888 78 L 4.6182 6.9905 120.3328 54.8277 43.8322 174.2247 79 H 4.8707 9.1618 120.9151 54.8906 31.9466 173.0191 80 A 4.1281 8.7735 128.6971 55.0437 18.3584 178.6577 81 I 3.8635 7.7940 114.9317 63.0381 38.0917 176.2564 82 K 4.5060 7.6816 121.8869 53.2116 32.0247 174.1466 83 P 4.5022 0.0000 0.0000 64.5990 31.7864 179.4534 84 S 4.2466 8.0449 112.8708 60.5686 62.9956 175.3384 85 L 4.1622 8.0868 121.3728 56.9132 41.6806 176.9967 86 E 4.6336 7.2111 118.7023 57.2472 29.5581 177.4786 87 G 3.9976 9.3064 113.0859 45.1073 0.0000 173.5909 88 K 4.2443 8.0649 120.1491 55.3977 33.0505 175.7588 89 N 5.1214 8.6837 121.7694 53.2495 38.7426 174.2306 90 L 4.7841 9.0180 126.5286 54.6483 42.4066 178.2362 91 Y 3.8731 8.4965 122.9186 60.9173 38.5965 177.0781 92 D 4.5794 8.0689 115.7572 54.3788 41.3887 176.2148 93 L 4.0374 7.8145 123.5124 54.9362 42.5744 175.7790 94 K 4.8046 8.2808 124.8004 54.3745 35.0514 176.1366 95 D 4.7429 8.5806 122.4612 52.3740 40.9434 176.6635 96 E 4.0548 8.7407 116.0089 58.8974 29.5523 177.1443 97 N 4.6823 8.7186 116.0464 52.7765 38.8060 175.5897 98 G 3.8605 8.1861 106.1899 45.6065 0.0000 173.9982 99 V 3.6273 7.8420 120.1359 62.1941 32.0600 175.3586 100 A 4.8061 8.3118 130.1402 50.6935 17.3324 177.7461 101 V 3.2167 8.0667 121.0101 66.5016 31.7346 177.7565 102 I 3.1222 7.1956 118.6682 64.0867 37.0391 178.0755 103 A 3.7038 7.3725 121.2121 54.9320 18.0152 179.7747 104 G 3.4512 7.8998 104.2009 47.8655 0.0000 176.0503 105 L 3.9726 7.8153 121.4072 57.3486 41.7267 179.5871 106 I 3.6903 7.8419 119.9487 64.5800 37.1307 178.2492 107 D 4.3119 8.2138 119.4279 57.2111 40.6314 178.5881 108 A 4.0170 8.3091 121.9322 55.3581 18.1705 179.9129 109 S 4.1345 7.9690 111.3840 61.0091 63.1976 176.0093 110 Q 4.2571 7.7060 119.9834 56.9983 29.3065 176.6676 111 K 4.5664 8.5079 115.8264 55.9779 34.0955 176.3200 112 G 4.1319 7.6018 108.5582 44.8443 0.0000 172.6856 113 D 4.7018 9.0141 123.8558 53.2425 39.9749 177.3892 114 G 3.7049 8.3876 110.3687 45.1163 0.0000 173.2506 115 F 5.3723 8.0456 117.7365 56.2093 40.9733 175.4611 116 L 4.7443 8.7116 123.4196 54.1739 45.8087 174.0462 117 Y 4.9750 8.8614 124.3238 57.6247 39.1382 174.5041 118 F 4.9980 8.4870 117.2064 56.7955 41.8707 172.5656 119 S 5.4053 9.6375 115.9032 57.1480 64.8516 173.7913 120 W 5.2593 9.1028 131.2976 56.4582 34.7117 172.9564 121 H 4.4460 8.3293 123.2622 57.1143 29.9583 173.8621 122 K 3.9980 8.8418 127.1574 54.1108 33.3544 174.5261 123 P 4.1769 0.0000 0.0000 66.0489 31.3221 178.6109 124 T 4.0697 8.2482 106.0370 63.1580 68.7303 174.6531 125 I 4.3111 7.3677 113.4518 59.4265 39.0546 174.5372 126 N 3.9536 7.7157 118.6847 53.7070 37.7241 172.4235 127 A 4.6103 6.8627 117.3984 50.8336 23.5191 177.1586 128 Q 4.5781 8.5722 118.1719 56.4875 30.1375 175.5906 129 A 5.0360 9.0538 123.2493 49.6714 23.4228 173.8537 130 P 4.6893 0.0000 0.0000 63.0266 32.7128 175.2289 131 K 4.6761 9.0594 123.1405 54.4650 36.5252 174.4760 132 L 4.2918 8.7303 127.5304 53.2658 44.0023 175.7056 133 G 4.6112 8.8962 114.5152 45.4444 0.0000 171.3819 134 Y 5.1605 9.0108 121.6791 55.6802 42.1279 173.7900 135 A 4.9770 8.0709 127.8197 50.0087 22.4185 174.8535 136 E 4.5699 8.7910 119.5210 54.5425 33.5898 174.3349 137 Y 5.0295 8.5026 123.9296 56.7188 40.9919 174.1718 138 L 4.3874 8.7932 127.7116 52.7833 42.2287 176.9381 139 Q 3.1959 8.0791 126.1168 58.2935 29.5686 178.3297 140 K 3.7335 7.9771 118.5914 58.5795 32.0538 177.1782 141 W 4.6403 7.8609 114.9138 55.5442 30.0913 174.9230 142 D 4.6007 7.5840 117.4596 54.0700 39.8393 172.7497 143 W 5.5722 8.0729 117.7532 55.2135 32.0341 176.9363 144 V 4.6992 9.5925 126.3791 62.0059 31.6750 173.9058 145 L 4.9790 8.9842 131.4717 53.6958 43.6970 175.5566 146 G 4.0194 8.6907 112.5291 45.1926 0.0000 171.0675 147 T 4.5789 7.3909 112.9064 62.2291 70.8846 172.0412 148 G 4.3212 7.9391 106.1548 46.3304 0.0000 173.0647 149 I 4.8333 8.0589 120.3757 59.3651 40.2597 175.0227 150 Y 4.5931 8.6882 121.8715 57.5392 38.7500 175.5230 151 I 4.4814 8.7501 116.5894 60.3899 38.3928 176.9299 152 D 4.4054 8.4298 122.3491 56.8413 38.7842 178.1092 153 D 4.5011 8.0406 119.3277 57.1193 39.6286 177.8430 154 I 3.6984 7.8327 120.0759 63.9986 37.1528 175.4126 155 D 4.4805 8.6208 124.5167 54.6290 41.0522 176.2411 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 8 A 8.12 4.31 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 9 E 8.12 3.73 0.00 2.12 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 2.37 2.42 0.00 10 L 8.03 3.96 0.00 1.75 1.64 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.68 3.57 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 0.96 0.00 0.00 0.92 0.00 0.00 12 R 8.02 3.87 0.00 2.07 2.10 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 13 D 8.29 4.33 0.00 2.80 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 14 R 7.82 3.85 0.00 1.85 2.09 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 15 Q 8.13 3.94 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 16 E 8.40 3.93 0.00 2.21 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 2.31 2.53 0.00 17 L 7.92 3.98 0.00 1.89 1.72 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.89 3.63 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.93 0.90 0.00 0.00 19 D 8.29 4.20 0.00 2.62 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 20 A 7.98 3.93 1.35 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 0.00 0.00 21 R 7.94 3.86 0.00 1.99 1.97 0.00 3.43 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 22 K 8.14 3.89 0.00 1.65 1.39 0.00 1.25 0.00 0.00 1.22 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.47 1.26 7.81 23 K 7.82 3.76 0.00 1.86 1.83 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.38 7.81 24 E 7.83 3.39 0.00 1.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 25 L 7.58 3.85 0.00 1.74 1.67 1.16 1.19 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 26 K 7.43 3.73 0.00 1.66 1.70 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.68 1.07 7.81 27 A 7.23 4.13 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 28 Y 7.04 4.18 0.00 2.81 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 *32 G 8.76 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 33 V 7.81 3.41 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 0.73 0.00 0.00 0.82 0.00 0.00 34 T 7.83 4.02 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 35 A 8.05 4.04 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.27 4.24 2.00 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 1.53 1.22 0.96 0.00 0.00 37 K 7.74 3.81 0.00 1.95 1.97 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.59 7.81 38 P 0.00 4.26 0.00 2.22 2.10 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 39 L 7.84 4.06 0.00 1.96 1.97 1.02 0.87 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 40 Y 8.31 3.58 0.00 2.64 2.80 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 41 D 8.31 4.22 0.00 2.70 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 42 S 7.56 4.47 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.17 4.37 0.00 3.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.49 4.12 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 0.90 0.00 0.00 0.97 0.00 0.00 45 N 9.97 3.91 0.00 2.78 2.78 0.00 0.00 7.46 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 46 G 9.25 3.77 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 0.00 0.00 0.00 47 S 7.65 4.05 0.00 4.00 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 48 N 9.05 4.82 0.00 3.08 3.05 0.00 0.00 6.94 7.21 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 49 K 7.31 2.69 0.00 1.48 1.51 0.00 1.10 0.00 0.00 1.19 0.00 0.00 2.36 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.21 7.81 50 Q 7.91 3.93 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 51 A 7.99 4.04 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 52 A 8.27 4.11 1.74 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 0.00 0.00 53 K 8.64 3.87 0.00 2.03 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.86 7.81 54 E 7.90 3.99 0.00 2.14 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 2.52 0.00 55 I 7.59 3.93 2.05 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 1.56 1.51 0.94 0.00 0.00 56 L 7.90 3.98 0.00 1.57 1.57 0.97 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.30 4.21 0.00 1.82 1.90 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 58 A 7.48 4.25 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 *60 R 7.32 4.71 0.00 1.81 1.97 0.00 3.49 0.00 0.00 4.01 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 61 F 7.41 4.62 0.00 2.55 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 62 E 6.85 4.66 0.00 2.06 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 1.70 2.12 0.00 63 S 8.85 3.99 0.00 3.84 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 64 D 8.00 4.73 0.00 2.68 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 65 G 7.76 2.40 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 0.00 66 Y 6.98 4.79 0.00 3.14 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 67 F 8.66 5.17 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.18 5.47 0.00 2.97 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 69 A 8.71 5.29 0.79 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 0.00 0.00 70 Y 9.00 5.15 0.00 2.96 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 71 D 9.07 5.85 0.00 3.39 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.13 4.23 0.00 4.06 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 73 Q 8.33 4.04 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 74 G 8.79 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.18 4.57 2.28 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 0.77 1.01 0.00 0.00 76 N 9.16 4.34 0.00 2.75 2.86 0.00 0.00 6.38 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 77 T 8.37 4.44 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 78 L 6.99 4.62 0.00 1.56 1.37 0.84 -0.12 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 79 H 9.16 4.87 0.00 3.30 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.77 4.13 1.50 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 0.00 0.00 81 I 7.79 3.86 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.36 0.84 0.00 0.00 82 K 7.68 4.51 0.00 1.67 1.54 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.34 7.81 83 P 0.00 4.50 0.00 2.25 2.30 0.00 3.75 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 2.06 1.95 0.00 84 S 8.04 4.25 0.00 3.99 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 85 L 8.09 4.16 0.00 1.84 1.83 1.04 0.72 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 86 E 7.21 4.63 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 87 G 9.31 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 0.00 0.00 0.00 88 K 8.06 4.24 0.00 2.00 1.78 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.47 7.81 89 N 8.68 5.12 0.00 2.74 2.81 0.00 0.00 6.91 7.78 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 90 L 9.02 4.78 0.00 1.79 1.68 1.25 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.50 3.87 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.07 4.58 0.00 2.74 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 93 L 7.81 4.04 0.00 1.73 1.64 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.28 4.80 0.00 1.73 1.66 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.52 7.81 95 D 8.58 4.74 0.00 3.08 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 96 E 8.74 4.05 0.00 2.11 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 0.00 2.32 2.36 0.00 97 N 8.72 4.68 0.00 2.86 2.90 0.00 0.00 7.03 8.41 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 98 G 8.19 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.84 3.63 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 1.09 0.00 0.00 1.03 0.00 0.00 100 A 8.31 4.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.07 3.22 1.92 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 -0.24 0.00 0.00 0.98 0.00 0.00 102 I 7.20 3.12 1.67 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 -0.36 0.54 0.00 0.00 103 A 7.37 3.70 0.61 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 0.00 104 G 7.90 3.45 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 0.00 0.00 0.00 105 L 7.82 3.97 0.00 1.66 1.71 0.45 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 0.00 106 I 7.84 3.69 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.24 0.93 0.00 0.00 107 D 8.21 4.31 0.00 2.67 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 0.00 108 A 8.31 4.02 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 0.00 109 S 7.97 4.13 0.00 4.02 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 0.00 110 Q 7.71 4.26 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 1.73 2.11 0.00 111 K 8.51 4.57 0.00 1.74 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.31 7.81 112 G 7.60 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 113 D 9.01 4.70 0.00 3.00 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 0.00 114 G 8.39 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.05 5.37 0.00 3.14 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 0.00 116 L 8.71 4.74 0.00 1.83 1.67 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.86 4.97 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.49 5.00 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 9.64 5.41 0.00 3.87 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 0.00 120 W 9.10 5.26 0.00 3.89 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 0.00 121 H 8.33 4.45 0.00 3.06 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.84 4.00 0.00 1.41 1.49 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.87 0.21 7.81 123 P 0.00 4.18 0.00 2.30 2.07 0.00 3.72 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 124 T 8.25 4.07 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 1.27 0.00 0.00 125 I 7.37 4.31 1.82 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 1.05 0.71 0.86 0.00 0.00 126 N 7.72 3.95 0.00 2.72 2.81 0.00 0.00 6.87 9.26 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 0.00 127 A 6.86 4.61 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.57 4.58 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 129 A 9.05 5.04 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.69 0.00 2.19 2.25 0.00 3.73 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 2.24 2.20 0.00 131 K 9.06 4.68 0.00 1.26 0.99 0.00 1.03 0.00 0.00 0.97 0.00 0.00 2.54 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.56 0.45 7.81 132 L 8.73 4.29 0.00 1.47 1.36 0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.90 4.61 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 0.00 134 Y 9.01 5.16 0.00 2.80 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 0.00 135 A 8.07 4.98 1.13 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 0.00 0.00 0.00 0.00 0.00 136 E 8.79 4.57 0.00 1.78 1.74 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 2.09 1.85 0.00 137 Y 8.50 5.03 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.79 4.39 0.00 1.57 1.20 0.72 0.04 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 0.00 139 Q 8.08 3.20 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 140 K 7.98 3.73 0.00 1.21 0.84 0.00 0.77 0.00 0.00 1.28 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.11 7.81 141 W 7.86 4.64 0.00 2.80 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 0.00 0.00 0.00 142 D 7.58 4.60 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 W 8.07 5.57 0.00 3.47 3.12 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 0.00 144 V 9.59 4.70 2.43 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 1.01 0.00 0.00 1.11 0.00 0.00 145 L 8.98 4.98 0.00 1.90 1.51 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.69 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 0.00 0.00 0.00 0.00 147 T 7.39 4.58 3.54 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 1.17 0.00 0.00 148 G 7.94 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.06 4.83 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 1.02 0.00 0.00 150 Y 8.69 4.59 0.00 3.03 3.09 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 0.00 0.00 0.00 0.00 151 I 8.75 4.48 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.98 0.00 0.00 152 D 8.43 4.41 0.00 2.89 2.94 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 0.00 153 D 8.04 4.50 0.00 2.86 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 0.00 154 I 7.83 3.70 2.03 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 1.55 0.57 0.92 0.00 0.00 155 D 8.62 4.48 0.00 2.61 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 * Residues marked with a * may have inaccurate shift predictions.