NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.6811 8.1927 115.5694 57.5799 66.0990 172.6339 4 V 4.6416 7.9625 119.9792 59.9740 33.9527 172.7461 5 N 5.0015 10.0719 128.3880 52.2524 41.3915 172.6220 6 T 5.0647 8.5546 122.6018 61.9355 71.3705 174.0143 7 S 4.7549 8.6324 120.6112 56.8892 67.5937 173.0662 8 F 4.7649 9.0295 122.9009 56.4446 38.9127 175.9345 9 L 4.2352 8.9517 125.9472 57.1079 41.7858 176.7509 10 S 4.7031 7.6171 110.9436 56.5362 65.9456 172.6585 11 P 4.4474 0.0000 0.0000 65.1132 31.2117 178.1648 12 S 4.8421 8.1296 110.9322 57.5532 63.3919 172.7937 13 L 5.0174 7.9330 123.2755 53.8134 44.9366 175.1032 14 V 4.6459 8.8935 127.1678 61.0787 34.6939 174.2375 15 T 4.4533 8.4547 117.8392 60.4029 71.2036 173.7401 16 I 4.5367 7.7797 124.7481 59.5182 40.8171 174.2571 17 R 4.3402 8.6442 128.9650 54.4616 32.1507 174.3732 18 D 4.9779 8.4649 127.8351 52.8675 41.9751 177.0997 19 F 4.2694 9.2613 126.9414 60.8006 39.2875 178.1237 20 D 4.4286 8.4363 118.7499 57.0665 40.6825 176.9077 21 N 4.6364 8.7139 113.5285 52.0508 39.3967 175.0029 22 G 4.0664 7.7018 106.2476 47.0092 0.0000 172.6434 23 Q 5.0006 8.1817 115.7392 53.0147 34.0726 176.1133 24 F 5.2192 8.7015 121.5835 56.8425 42.5817 173.3761 25 A 5.0382 8.1357 126.1422 50.3979 23.1986 174.7480 26 V 4.3173 8.7636 121.1023 61.4193 33.5615 174.3481 27 L 5.0631 8.9523 130.9530 53.4779 43.8945 175.1958 28 R 5.0532 8.8756 122.2282 54.7008 33.2894 174.8612 29 I 4.1516 8.6085 124.2869 60.2771 35.7238 176.7897 30 G 3.4849 8.9626 114.4851 48.5345 0.0000 172.9772 31 R 3.9620 7.4228 119.5780 58.6809 30.1492 177.5876 32 T 3.6931 7.6231 105.5721 61.1959 69.4627 175.6699 33 G 3.9363 7.8953 108.3800 45.8258 0.0000 173.7431 34 F 4.8247 7.8607 117.8548 56.4306 39.4942 173.5979 35 P 4.7632 0.0000 0.0000 62.4586 31.9016 176.2239 36 A 4.5448 9.0750 126.8420 52.3446 19.1519 176.7992 37 D 4.9502 9.0609 122.2647 51.4552 42.4951 177.5353 38 K 4.1465 8.8149 116.9975 59.5445 31.7712 179.6849 39 G 3.6707 8.1591 105.5946 47.9757 0.0000 175.3027 40 D 4.6062 9.1752 123.2012 56.6780 40.7941 179.0551 41 I 3.6987 7.8828 120.3723 64.2483 37.0942 177.9671 42 D 4.2921 8.4313 119.2840 57.0858 41.0540 177.8289 43 L 3.6131 8.1114 121.2732 58.3370 41.8079 178.5202 44 C 3.9992 7.8349 116.8856 62.6119 31.5719 175.1953 45 L 4.0749 7.8205 119.2603 57.9568 41.3535 179.0157 46 D 4.5668 8.0884 118.9062 56.7680 40.8376 178.2696 47 K 4.3455 7.9686 119.1801 56.5218 32.5660 179.1250 *49 K 4.1808 8.1711 122.0844 56.4354 34.2091 177.5930 50 G 3.6662 8.3235 105.6470 47.8603 0.0000 175.7570 51 V 3.5309 7.8646 121.0320 65.6707 31.6346 178.3847 52 R 3.9191 7.9097 115.0725 59.0404 29.3229 178.4055 53 D 4.3111 8.2138 119.9314 57.0321 40.9462 178.2279 54 A 3.9328 8.1577 121.5540 55.1758 18.3588 179.2423 55 Q 3.9113 8.2714 118.1656 59.7697 29.0857 178.9291 56 Q 4.0289 8.1310 118.6236 58.7777 28.3898 179.0726 57 S 4.1040 7.7040 115.7346 61.8308 63.0513 176.5562 58 I 4.0518 7.6328 120.1274 60.9990 37.3124 175.7499 59 G 4.2913 7.0003 113.5044 44.1426 0.0000 171.5654 60 D 4.6778 8.5382 123.3634 53.8603 40.7131 176.3687 61 D 3.3700 8.0613 126.2562 54.1259 39.7164 177.1076 62 T 4.2177 7.6755 109.4958 62.0237 69.7222 174.8339 63 E 4.1015 7.7160 125.0196 55.8180 30.2092 175.7887 64 F 4.5765 8.7872 128.3906 59.5185 40.0351 175.3023 65 G 3.3833 7.7416 114.0748 44.9871 0.0000 172.5800 66 F 4.0316 7.6897 121.4007 58.4626 38.9529 175.4763 67 K 3.7732 8.0165 127.2170 56.6594 32.3938 176.2860 68 G 2.9690 5.5414 103.6638 42.9054 0.0000 170.8940 69 P 4.6148 0.0000 0.0000 62.3784 33.2247 174.9031 70 H 5.2442 9.2981 117.6242 54.4170 30.7430 174.1405 71 I 4.8117 9.3654 124.2566 59.4033 39.6251 174.8199 72 R 4.7377 9.0072 128.8573 54.1479 33.5393 175.0182 73 I 4.0997 8.5543 124.1068 61.4757 38.5596 174.7487 74 R 4.6136 9.1066 126.7287 57.5920 32.8466 175.4879 75 C 4.9312 7.5326 117.1893 57.8871 35.3662 172.3779 76 V 4.5652 8.7059 125.6988 61.1961 33.2106 173.6093 77 D 5.3157 8.7785 128.0863 52.7763 41.7189 174.5512 78 I 4.4520 8.7779 128.2976 60.1936 39.3099 174.6193 79 D 4.9628 9.1475 127.5583 52.2596 42.7288 175.7434 80 D 5.6051 8.2643 126.7981 52.1140 39.8337 178.1537 81 K 3.9663 8.1374 121.6386 59.8842 32.6965 177.0442 82 H 4.7254 8.0679 114.5084 56.9995 30.1917 174.2410 83 T 4.6493 7.5316 111.3838 60.4744 70.7004 170.4949 84 Y 5.2218 8.5125 122.8924 56.3044 40.3662 174.4417 85 N 5.3482 9.0859 123.4379 51.8003 43.6042 173.9501 86 A 4.4972 8.1414 120.8153 49.7880 23.0496 174.4434 *88 V 4.1592 8.2985 113.7036 63.4231 33.1697 175.3320 89 Y 4.9743 9.1922 126.7406 57.0994 39.1326 175.3421 90 V 4.9937 8.8322 117.3322 59.6181 35.7952 174.6414 91 D 5.1012 9.2301 122.3309 52.5566 43.6986 175.0931 92 L 5.0079 9.0411 125.8505 53.6104 44.1907 174.9529 93 I 4.9823 9.2371 128.4941 59.8397 39.6448 175.2320 94 V 4.4967 8.6835 121.2503 58.9134 34.4745 175.8742 95 G 3.8862 8.4739 110.0417 47.2581 0.0000 174.0950 96 T 4.1471 8.4789 119.3639 63.1292 67.8600 174.6521 97 G 4.0719 7.5559 109.6908 45.6140 0.0000 172.9933 98 A 4.6342 7.7212 121.8160 49.8412 21.1107 178.6727 99 S 4.3838 8.1872 115.9572 57.7333 65.1624 175.3847 100 E 3.8901 8.7185 121.4500 60.1055 28.9924 179.6395 101 V 3.6171 7.6862 118.4609 65.4000 31.6639 177.7341 102 E 3.9657 8.0789 118.5038 59.0955 29.2514 179.5024 103 R 3.8488 8.2256 118.3873 59.3247 30.2003 178.6399 104 E 3.9606 8.2397 118.3738 60.0308 29.5998 179.7841 105 T 3.8596 8.1302 115.2772 66.5070 68.4779 176.6659 106 A 3.9907 7.9463 122.7164 55.2297 18.4732 179.5656 107 E 3.9471 8.7174 117.4968 59.6288 29.4705 179.4081 108 E 4.1173 8.2899 118.5455 58.8717 29.5966 178.9839 109 L 3.9917 7.9429 120.2903 57.8868 42.0502 178.8544 110 A 3.9711 8.0394 120.9627 54.9207 18.3424 179.5014 111 K 3.9067 7.9651 117.7687 59.5007 32.0519 178.7318 112 E 3.9805 8.0641 119.3533 59.1628 29.6595 178.8598 113 K 3.9644 8.0490 118.5474 59.2769 32.0496 179.4678 114 L 3.7724 8.0213 119.6175 57.7048 41.4832 179.3512 115 R 4.0822 7.8814 117.7979 59.3174 29.8408 178.9186 116 A 3.9975 7.7410 119.8626 54.9802 18.5763 179.6438 117 A 3.9325 8.2441 119.2904 54.6951 18.5504 178.3116 118 L 4.2967 8.3016 113.6023 54.0837 42.7014 176.2552 119 Q 3.4232 7.7179 117.7857 56.6295 26.6410 174.0691 120 V 3.9328 7.8257 117.4716 64.4391 32.4720 176.0319 121 D 4.5878 8.9916 124.5281 54.6638 39.4800 173.5090 122 I 4.6010 7.2735 112.0118 58.3547 40.5639 174.4642 123 A 4.4016 8.4748 124.8926 52.0285 19.1352 177.5020 124 D 5.3006 8.6810 124.3031 51.6491 41.9262 176.7535 125 E 4.0997 8.8153 117.2201 59.3099 29.5150 177.2071 126 H 4.8390 9.0093 115.5944 54.9209 29.0016 174.3615 127 S 3.8158 7.9378 113.5460 59.8559 61.0786 171.5750 128 C 5.1131 8.4011 118.3702 57.7257 34.4694 172.1124 129 V 4.9299 8.3626 125.1199 61.0043 32.9777 174.4704 130 T 5.1756 8.4677 124.1160 62.0786 71.2320 173.4131 131 Q 5.1493 9.0395 123.4967 54.0950 32.8525 174.2300 132 F 5.1143 8.1947 114.2653 55.4106 41.6753 172.8181 133 E 4.4351 8.9182 119.8607 54.3361 33.9844 173.5129 *135 K 4.3174 8.3703 120.0791 56.3029 33.6392 174.3088 136 L 5.0481 8.4958 126.6090 53.7707 43.0081 176.1183 137 R 4.9148 9.2535 122.1676 54.2991 34.7902 173.9764 138 E 5.6390 8.5706 118.0647 53.8260 32.5767 174.5992 139 E 4.6903 8.3082 119.9891 54.5730 34.9731 174.6674 140 L 4.1042 8.4453 123.5982 54.6510 41.0783 177.5681 141 L 3.3693 8.1135 126.6434 56.1895 41.6880 178.3085 142 S 4.5745 7.6224 111.5414 58.1688 64.3391 174.5244 143 S 4.2140 7.9690 117.6986 58.4931 62.4287 174.7098 144 D 4.5267 8.8175 127.3637 56.8074 40.7340 177.1775 145 S 4.4626 7.9392 112.1072 58.4030 63.5938 173.5819 146 F 4.8204 8.2639 124.7327 57.0812 40.6368 174.3589 147 H 4.2230 7.4375 125.7112 53.5602 32.7318 172.2594 148 P 4.2982 0.0000 0.0000 64.9693 31.2642 176.6798 149 D 5.2769 8.1632 117.4424 53.4225 41.8628 175.5462 150 K 3.7596 7.8581 120.4745 56.7791 32.7731 177.2934 151 D 4.3449 8.4623 124.2223 56.4614 39.2960 178.1421 152 E 3.8941 8.0459 120.2762 59.5421 29.2562 178.0212 153 Y 4.6108 7.6051 114.8320 59.8680 38.1920 176.6140 154 Y 4.8591 8.1145 117.0178 57.5350 38.3024 176.9155 155 K 3.9695 7.9622 122.6338 59.9954 31.9522 178.1996 156 D 3.9174 7.8413 117.1482 55.9765 40.7092 176.7247 157 F 4.8832 8.1916 115.8952 56.9048 40.7322 175.4839 158 L 4.4367 7.5413 125.4166 54.8099 41.9710 176.1107 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 3 S 8.19 4.68 0.00 4.10 4.28 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 4 V 7.96 4.64 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 0.71 0.00 0.00 0.93 0.00 0.00 5 N 10.07 5.00 0.00 2.93 2.60 0.00 0.00 6.68 7.25 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 6 T 8.55 5.06 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 1.08 0.00 0.00 7 S 8.63 4.75 0.00 3.72 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.03 4.76 0.00 2.89 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 9 L 8.95 4.24 0.00 1.76 1.76 0.96 1.16 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 10 S 7.62 4.70 0.00 4.01 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 11 P 0.00 4.45 0.00 2.30 2.21 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 12 S 8.13 4.84 0.00 3.99 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 13 L 7.93 5.02 0.00 1.76 1.55 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.89 4.65 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 0.55 0.00 0.00 -0.15 0.00 0.00 15 T 8.45 4.45 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 1.28 0.00 0.00 16 I 7.78 4.54 1.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.42 0.73 0.00 0.00 17 R 8.64 4.34 0.00 1.81 1.50 0.00 2.77 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 18 D 8.46 4.98 0.00 2.69 2.49 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 19 F 9.26 4.27 0.00 3.20 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 20 D 8.44 4.43 0.00 2.71 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 21 N 8.71 4.64 0.00 2.83 2.84 0.00 0.00 7.10 7.27 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 22 G 7.70 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 0.00 0.00 0.00 0.00 23 Q 8.18 5.00 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 24 F 8.70 5.22 0.00 2.81 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 25 A 8.14 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.76 4.32 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 1.08 0.00 0.00 1.18 0.00 0.00 27 L 8.95 5.06 0.00 1.62 1.46 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.88 5.05 0.00 1.96 1.97 0.00 2.85 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 29 I 8.61 4.15 2.02 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 1.22 1.69 0.98 0.00 0.00 30 G 8.96 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.42 3.96 0.00 1.78 1.88 0.00 3.28 0.00 0.00 3.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 32 T 7.62 3.69 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 0.74 0.00 0.00 33 G 7.90 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 34 F 7.86 4.82 0.00 3.06 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 35 P 0.00 4.76 0.00 2.00 2.04 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 36 A 9.08 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 37 D 9.06 4.95 0.00 2.85 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 38 K 8.81 4.15 0.00 1.85 1.94 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.56 7.81 39 G 8.16 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 40 D 9.18 4.61 0.00 2.88 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 41 I 7.88 3.70 2.01 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 1.30 0.69 0.87 0.00 0.00 42 D 8.43 4.29 0.00 2.95 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 43 L 8.11 3.61 0.00 1.72 1.83 0.68 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.83 4.00 0.00 2.94 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 45 L 7.82 4.07 0.00 1.82 1.71 0.91 0.91 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 46 D 8.09 4.57 0.00 2.86 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 47 K 7.97 4.35 0.00 1.85 1.77 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.53 7.81 *49 K 8.17 4.18 0.00 1.80 1.98 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.44 7.81 50 G 8.32 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 51 V 7.86 3.53 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 1.11 0.00 0.00 0.92 0.00 0.00 52 R 7.91 3.92 0.00 2.06 2.17 0.00 3.01 0.00 0.00 3.57 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 53 D 8.21 4.31 0.00 2.85 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 54 A 8.16 3.93 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 55 Q 8.27 3.91 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 56 Q 8.13 4.03 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 57 S 7.70 4.10 0.00 4.03 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 58 I 7.63 4.05 1.92 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 1.47 0.35 0.97 0.00 0.00 59 G 7.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.54 4.68 0.00 2.67 2.59 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 61 D 8.06 3.37 0.00 2.38 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 0.00 0.00 0.00 62 T 7.68 4.22 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 63 E 7.72 4.10 0.00 2.12 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 2.43 2.34 0.00 64 F 8.79 4.58 0.00 2.96 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 65 G 7.74 3.38 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 66 F 7.69 4.03 0.00 3.15 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 67 K 8.02 3.77 0.00 1.52 1.62 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.44 7.81 68 G 5.54 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.61 0.00 2.07 2.03 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 70 H 9.30 5.24 0.00 3.20 3.39 0.00 5.57 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 71 I 9.37 4.81 1.88 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 1.16 0.71 0.97 0.00 0.00 72 R 9.01 4.74 0.00 1.69 1.82 0.00 3.40 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 73 I 8.55 4.10 1.87 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 1.33 0.73 0.94 0.00 0.00 74 R 9.11 4.61 0.00 1.52 1.55 0.00 2.21 0.00 0.00 2.69 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 75 C 7.53 4.93 0.00 1.83 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 76 V 8.71 4.57 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 0.82 0.00 0.00 0.88 0.00 0.00 77 D 8.78 5.32 0.00 2.96 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 78 I 8.78 4.45 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.66 0.86 0.00 0.00 79 D 9.15 4.96 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.26 5.61 0.00 3.03 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 81 K 8.14 3.97 0.00 1.60 1.69 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.98 1.24 7.81 82 H 8.07 4.73 0.00 3.21 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.53 4.65 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 1.33 0.00 0.00 84 Y 8.51 5.22 0.00 3.01 3.01 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 85 N 9.09 5.35 0.00 2.66 2.69 0.00 0.00 6.26 7.46 0.00 0.00 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 A 8.14 4.50 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 *88 V 8.30 4.16 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 1.00 0.00 0.00 0.90 0.00 0.00 89 Y 9.19 4.97 0.00 2.64 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.83 4.99 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 0.66 0.00 0.00 0.99 0.00 0.00 91 D 9.23 5.10 0.00 2.49 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 92 L 9.04 5.01 0.00 1.72 1.54 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 I 9.24 4.98 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.48 0.98 0.00 0.00 94 V 8.68 4.50 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 0.68 0.00 0.00 0.89 0.00 0.00 95 G 8.47 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 0.00 0.00 0.00 96 T 8.48 4.15 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 1.16 0.00 0.00 97 G 7.56 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 0.00 0.00 0.00 0.00 98 A 7.72 4.63 1.23 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 0.00 0.00 99 S 8.19 4.38 0.00 4.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.72 3.89 0.00 2.20 2.26 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 2.36 2.37 0.00 101 V 7.69 3.62 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 1.05 0.00 0.00 0.92 0.00 0.00 102 E 8.08 3.97 0.00 2.27 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 2.30 2.32 0.00 103 R 8.23 3.85 0.00 1.99 2.11 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 104 E 8.24 3.96 0.00 2.15 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 2.33 2.62 0.00 105 T 8.13 3.86 4.37 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 1.20 0.00 0.00 106 A 7.95 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 0.00 107 E 8.72 3.95 0.00 2.10 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 2.33 2.63 0.00 108 E 8.29 4.12 0.00 2.00 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 2.55 2.46 0.00 109 L 7.94 3.99 0.00 1.88 1.69 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.04 3.97 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 0.00 111 K 7.97 3.91 0.00 2.18 2.02 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.68 1.92 7.81 112 E 8.06 3.98 0.00 2.07 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 2.30 2.35 0.00 113 K 8.05 3.96 0.00 1.77 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.61 7.81 114 L 8.02 3.77 0.00 1.04 0.78 0.50 0.96 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 0.00 115 R 7.88 4.08 0.00 2.07 2.06 0.00 3.18 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.15 0.00 116 A 7.74 4.00 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 0.00 117 A 8.24 3.93 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 0.00 118 L 8.30 4.30 0.00 1.65 1.69 0.75 0.88 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 0.00 119 Q 7.72 3.42 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 120 V 7.83 3.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.19 0.00 0.00 121 D 8.99 4.59 0.00 2.88 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 0.00 122 I 7.27 4.60 1.88 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 1.38 1.26 0.97 0.00 0.00 123 A 8.47 4.40 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 0.00 124 D 8.68 5.30 0.00 2.92 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 0.00 125 E 8.82 4.10 0.00 1.95 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 2.30 2.39 0.00 126 H 9.01 4.84 0.00 3.32 3.55 0.00 6.00 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.94 3.82 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 0.00 128 C 8.40 5.11 0.00 2.98 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 0.00 129 V 8.36 4.93 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 1.22 0.00 0.00 0.96 0.00 0.00 130 T 8.47 5.18 4.36 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 1.25 0.00 0.00 131 Q 9.04 5.15 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 132 F 8.19 5.11 0.00 3.03 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 0.00 133 E 8.92 4.44 0.00 1.71 1.48 0.00 0.00 0.00 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 2.18 0.00 *135 K 8.37 4.32 0.00 1.99 1.92 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 136 L 8.50 5.05 0.00 1.57 1.58 1.04 0.92 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 0.00 137 R 9.25 4.91 0.00 1.57 1.71 0.00 2.51 0.00 0.00 2.82 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 138 E 8.57 5.64 0.00 1.95 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 2.15 2.14 0.00 139 E 8.31 4.69 0.00 1.47 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 2.40 2.66 0.00 140 L 8.45 4.10 0.00 1.69 1.57 0.86 0.57 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 0.00 141 L 8.11 3.37 0.00 1.47 1.55 0.74 0.22 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 0.00 142 S 7.62 4.57 0.00 3.95 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 0.00 143 S 7.97 4.21 0.00 3.92 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 0.00 144 D 8.82 4.53 0.00 2.74 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 0.00 145 S 7.94 4.46 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 0.00 146 F 8.26 4.82 0.00 3.04 3.25 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 0.00 147 H 7.44 4.22 0.00 2.97 2.83 0.00 5.74 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 0.00 148 P 0.00 4.30 0.00 2.05 2.07 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 149 D 8.16 5.28 0.00 2.82 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 0.00 150 K 7.86 3.76 0.00 1.54 0.74 0.00 1.44 0.00 0.00 1.31 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.17 7.81 151 D 8.46 4.34 0.00 2.78 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 0.00 152 E 8.05 3.89 0.00 1.90 1.66 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 2.39 2.39 0.00 153 Y 7.61 4.61 0.00 2.99 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 0.00 154 Y 8.11 4.86 0.00 3.02 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 0.00 155 K 7.96 3.97 0.00 1.97 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.49 7.81 156 D 7.84 3.92 0.00 1.58 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.19 4.88 0.00 3.18 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 0.00 158 L 7.54 4.44 0.00 1.71 1.57 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.