NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.5699 8.4444 117.3699 54.3459 29.7248 173.4476 *5 K 4.5050 9.1445 120.6768 57.7351 34.1996 176.2876 6 H 4.0893 8.0009 115.3375 59.2803 28.3987 177.7699 7 T 3.9218 7.8206 116.9912 66.4637 68.2660 176.5564 8 E 3.9270 7.9968 120.0986 59.4143 29.7199 178.6845 9 L 3.8569 7.8574 118.8888 58.2616 41.8361 179.9231 10 R 4.0088 7.9888 116.7263 58.5494 29.8686 179.1188 11 A 3.9658 7.6215 120.9902 54.7837 18.7566 178.9484 12 A 4.0848 8.1739 119.8416 55.8491 18.3652 179.7436 13 V 3.4758 7.6271 115.7509 65.9671 31.4004 177.7793 14 L 4.0460 7.6833 117.9796 58.6531 41.9530 179.0732 15 D 4.2628 9.0165 119.2995 56.9356 40.4945 178.3067 16 A 3.9355 7.9591 121.7566 55.8014 18.5325 179.4969 17 L 4.2527 8.0244 118.5855 58.3261 41.0006 180.0265 18 E 3.6040 7.9902 120.7669 61.5487 29.4713 182.1277 19 K 4.3331 7.8821 123.2288 59.1671 31.6105 178.7407 20 H 5.2464 7.7021 111.7521 55.4572 30.5486 174.0857 21 D 4.7024 7.7633 121.7828 54.2677 42.4284 176.0693 22 T 5.0467 7.4645 110.3687 59.4349 71.8758 175.8778 23 G 4.1232 8.7065 111.1586 45.2960 0.0000 173.0908 24 A 4.7463 8.3020 121.7665 51.1472 21.4699 176.5353 25 T 4.4571 8.4603 115.7340 62.6147 69.5671 174.7296 26 F 5.0586 9.0389 126.0429 56.7912 40.3156 175.4374 27 F 4.7740 9.9181 122.1737 55.8807 42.1936 174.3641 28 D 5.1523 8.8313 122.8570 54.0061 40.6595 175.8474 29 G 4.1468 9.0951 111.5950 44.2122 0.0000 171.5229 30 R 3.7502 7.8076 121.5239 54.7698 30.4808 174.7202 31 P 3.9416 0.0000 0.0000 62.1338 31.4302 174.9676 32 A 3.6163 8.0025 128.4659 53.2151 18.3533 180.0697 33 V 4.2042 7.3841 114.8478 57.9037 35.0576 177.2339 34 F 5.1760 8.2121 114.7964 57.1166 42.1695 174.5309 35 D 4.7053 8.5824 125.4599 52.1763 40.9159 177.5417 36 E 3.6129 8.9729 120.5900 58.9814 29.7824 175.8196 37 A 4.1476 7.9325 123.0686 55.3720 18.8434 178.8898 38 D 4.6691 8.3093 114.9689 55.5042 39.8815 181.8312 39 F 4.3681 6.5232 117.7150 57.3196 39.4905 173.0277 40 P 4.8384 0.0000 0.0000 62.1244 32.9043 174.8661 41 A 5.2405 8.2919 124.3128 50.1258 22.7739 175.0917 42 V 4.7971 8.6467 118.2821 61.0139 35.3330 174.2477 43 A 5.4346 9.0062 128.2480 50.1961 22.6272 174.8037 44 V 5.2090 9.1343 121.9459 60.4746 34.1498 174.1595 45 Y 5.2330 7.8951 124.3601 56.1214 41.7155 173.2275 46 L 5.6611 8.8250 118.8276 52.8179 44.9226 176.0745 47 T 4.5416 8.5140 109.3484 61.2785 72.1172 174.0157 48 G 4.0812 9.0870 109.6664 46.1716 0.0000 173.3824 49 A 4.5531 8.2596 122.5201 52.5090 18.6257 177.3576 50 E 4.5232 9.3346 120.6366 54.6324 33.7991 174.1709 51 Y 2.7967 7.2497 122.3252 57.6292 38.7457 175.2824 52 T 3.9330 9.9806 123.9381 63.3979 70.0745 175.4852 53 G 3.4123 5.3800 109.9646 44.4015 0.0000 171.6442 54 E 5.0430 8.0415 115.5647 54.0672 32.8918 171.8461 55 E 4.5006 8.5229 123.4351 54.3957 31.6435 175.6042 56 L 4.0593 8.6612 120.8234 59.2630 41.6143 179.4174 57 D 4.9221 7.8675 113.7878 52.7682 41.6964 176.7998 58 S 4.8103 8.2052 115.9117 57.8865 65.8010 172.6307 59 D 5.3750 8.4781 123.3353 52.3305 42.4432 175.3546 60 T 4.6642 8.7199 122.3484 61.9637 69.7574 174.3528 61 W 4.7086 9.0595 125.8456 54.6905 33.4571 174.1383 62 Q 5.1102 8.8430 122.7136 54.8008 32.2827 173.8695 63 A 4.9489 9.0994 125.0694 51.4879 23.9425 174.5003 64 E 4.9226 9.1158 120.3194 54.5353 31.7923 174.6602 65 L 4.5622 9.1768 131.2757 54.8936 43.4176 175.1422 66 H 5.1043 9.2752 124.0057 54.5449 31.6930 174.6720 67 I 4.5930 8.1106 121.8388 60.0974 40.1591 172.0347 68 E 4.7250 9.0446 127.8329 54.0541 31.9815 174.2876 69 V 4.2494 8.1141 127.7746 61.6176 33.0293 174.4629 70 F 5.3585 8.9050 126.9089 56.1187 41.5817 174.8496 71 L 4.5126 8.7310 120.6262 52.2268 46.6681 173.6245 72 P 3.4142 0.0000 0.0000 62.8714 31.2573 175.8521 73 A 3.4630 9.0549 125.2508 57.6154 18.8628 179.5627 74 Q 4.4081 7.5568 117.6884 54.5144 26.0342 178.1315 75 V 4.5878 7.2769 115.1661 58.5518 36.1823 174.2208 76 P 4.4794 0.0000 0.0000 62.8390 32.3130 175.7435 77 A 4.6241 8.3253 117.1962 53.3692 19.6641 179.2776 78 S 4.1804 7.9435 113.9000 61.5460 62.9790 176.0779 79 E 3.9004 8.2218 121.6777 59.1173 29.2433 178.6782 80 L 4.0965 7.9594 117.8676 57.9877 41.8795 178.7533 81 D 4.8200 8.4179 118.7333 56.6982 41.0123 178.1677 82 A 4.2948 8.8429 122.1203 55.1101 18.3028 180.0293 83 W 4.0661 8.3566 126.1816 59.4359 30.8715 177.8964 *85 E 4.4713 8.1065 114.6393 55.3441 30.7864 179.4358 86 S 4.4044 7.7078 112.8834 60.2709 62.8310 174.7081 87 R 4.2228 8.2816 123.4537 57.4876 30.7339 176.6479 88 I 4.4631 7.5757 115.9731 62.9702 39.8686 176.9180 89 Y 4.2935 8.2767 116.9752 61.0574 37.4633 176.2572 90 P 4.2711 0.0000 0.0000 65.6127 32.0307 177.3164 91 V 3.4014 7.7787 117.1124 64.3354 32.3464 178.2007 *93 S 4.3806 8.1681 116.0238 58.3161 64.5763 173.9904 94 D 4.2576 7.6165 114.9022 52.7617 42.6306 180.1714 95 I 4.5554 7.8738 126.8679 57.3709 40.0467 174.8818 96 P 4.1590 0.0000 0.0000 65.9896 31.0425 177.8469 97 A 3.9277 8.0421 120.8529 54.7560 18.0745 179.0101 98 L 3.8443 7.8398 117.4925 58.4519 41.9754 178.9925 99 S 4.0777 7.8591 111.7412 61.3982 62.2319 175.8622 100 D 4.4675 7.7484 120.4130 57.4683 40.7960 178.3666 101 L 4.1451 7.4702 118.0632 55.9324 41.7388 177.1286 102 I 4.6592 6.9462 110.9001 59.2945 40.0295 175.0937 103 T 4.5920 8.2590 110.1018 61.8285 70.1536 173.9266 104 S 4.5854 7.7233 116.0128 58.0577 66.0362 175.3808 *106 V 4.3149 7.7748 118.0558 61.2455 32.6495 175.0326 107 A 3.7739 8.8272 124.1434 53.2957 18.6107 175.0961 108 S 4.3982 9.0647 112.7721 58.1311 64.7955 176.0170 109 G 4.2854 7.3111 106.3326 45.1780 0.0000 170.6875 110 Y 4.5833 8.3221 120.6840 56.9735 41.1048 173.3620 111 D 5.0168 8.3760 126.8084 52.5849 44.7526 175.0801 112 Y 4.7231 8.6428 119.4699 56.9056 38.9936 175.2616 113 R 4.9091 8.7900 123.5697 54.3510 33.9801 175.0114 114 R 4.3591 8.1936 118.5400 55.0944 33.5700 175.6534 115 D 3.9238 7.3832 120.7458 52.1571 38.5496 175.7387 116 D 4.2715 8.5247 127.2867 56.3628 40.1390 176.8122 117 D 4.4986 8.0757 117.4629 55.6167 38.7977 178.8811 118 A 4.3391 8.0847 122.0257 51.7858 19.7431 178.4109 119 G 4.3280 8.0029 104.5115 47.0610 0.0000 174.5601 120 L 4.5934 7.2882 116.6604 53.3388 41.2394 178.6896 121 W 5.2175 6.9718 115.1226 57.0570 31.5269 173.1689 122 S 4.8954 9.3742 114.6194 57.0824 66.3698 173.1766 123 S 5.4096 9.7137 115.8205 56.3041 67.3918 172.0979 124 A 4.5946 7.9785 120.0448 49.9823 22.0165 174.4282 125 D 4.5899 8.4781 123.5900 52.3288 43.2885 174.5877 126 L 4.5615 8.1898 129.7352 54.1548 43.5396 175.4626 127 T 5.1134 8.3605 115.7402 60.1195 72.3099 172.4392 128 Y 5.1599 8.8095 120.3780 56.3097 42.4047 174.3282 129 V 4.9582 8.6427 122.3089 61.3770 33.0386 175.0709 130 I 5.1916 8.9636 121.0945 59.3139 41.2740 174.3197 131 T 5.2889 8.5815 113.0627 60.5125 71.9961 172.2566 132 Y 5.1399 8.5397 123.0611 57.0678 42.1427 175.2316 133 E 5.3263 8.7747 114.2670 55.6663 30.0623 176.0651 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 H 8.44 4.57 0.00 2.95 2.34 0.00 7.20 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 9.14 4.51 0.00 1.81 1.80 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.40 7.81 6 H 8.00 4.09 0.00 3.14 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.82 3.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 8 E 8.00 3.93 0.00 2.12 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 2.37 2.36 0.00 9 L 7.86 3.86 0.00 1.68 1.57 0.19 0.64 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 10 R 7.99 4.01 0.00 1.89 2.01 0.00 3.39 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 11 A 7.62 3.97 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 12 A 8.17 4.08 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 13 V 7.63 3.48 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.88 0.00 0.00 14 L 7.68 4.05 0.00 1.89 1.73 1.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.02 4.26 0.00 2.76 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 16 A 7.96 3.94 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 17 L 8.02 4.25 0.00 1.91 2.14 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.99 3.60 0.00 1.99 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 2.24 2.19 0.00 19 K 7.88 4.33 0.00 1.84 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.13 7.81 20 H 7.70 5.25 0.00 3.09 3.26 0.00 5.72 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 21 D 7.76 4.70 0.00 2.91 2.58 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 22 T 7.46 5.05 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 1.21 0.00 0.00 23 G 8.71 4.12 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 0.00 0.00 0.00 24 A 8.30 4.75 1.47 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 0.00 0.00 25 T 8.46 4.46 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 26 F 9.04 5.06 0.00 2.88 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 27 F 9.92 4.77 0.00 2.96 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 28 D 8.83 5.15 0.00 2.69 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 29 G 9.10 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 30 R 7.81 3.75 0.00 0.67 1.24 0.00 2.68 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.39 0.00 31 P 0.00 3.94 0.00 0.60 0.82 0.00 3.45 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.44 0.00 32 A 8.00 3.62 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 33 V 7.38 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 0.81 0.00 0.00 0.93 0.00 0.00 34 F 8.21 5.18 0.00 2.75 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.58 4.71 0.00 2.75 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 36 E 8.97 3.61 0.00 1.91 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 2.33 1.93 0.00 37 A 7.93 4.15 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 38 D 8.31 4.67 0.00 2.66 2.61 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 39 F 6.52 4.37 0.00 3.12 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 40 P 0.00 4.84 0.00 1.28 2.11 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 41 A 8.29 5.24 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.65 4.80 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 0.76 0.00 0.00 0.63 0.00 0.00 43 A 9.01 5.43 1.56 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 0.00 0.00 44 V 9.13 5.21 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 1.13 0.00 0.00 1.04 0.00 0.00 45 Y 7.90 5.23 0.00 3.06 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 46 L 8.82 5.66 0.00 1.54 1.63 0.69 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.51 4.54 4.35 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 1.32 0.00 0.00 48 G 9.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.26 4.55 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.33 4.52 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.11 0.00 51 Y 7.25 2.80 0.00 1.83 2.38 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 52 T 9.98 3.93 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 1.03 0.00 0.00 53 G 5.38 3.41 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 0.00 54 E 8.04 5.04 0.00 1.95 1.69 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 2.10 1.85 0.00 55 E 8.52 4.50 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 56 L 8.66 4.06 0.00 1.64 1.76 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.87 4.92 0.00 2.63 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.21 4.81 0.00 3.83 3.73 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 59 D 8.48 5.37 0.00 2.37 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 4.66 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 1.07 0.00 0.00 61 W 9.06 4.71 0.00 2.34 2.55 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 0.00 0.00 0.00 62 Q 8.84 5.11 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 63 A 9.10 4.95 1.56 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 0.00 0.00 64 E 9.12 4.92 0.00 2.12 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 0.00 2.12 2.20 0.00 65 L 9.18 4.56 0.00 1.79 1.63 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.28 5.10 0.00 1.53 2.31 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.11 4.59 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.90 0.00 0.00 68 E 9.04 4.72 0.00 2.08 1.72 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 1.47 1.86 0.00 69 V 8.11 4.25 1.75 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 0.13 0.00 0.00 0.67 0.00 0.00 70 F 8.90 5.36 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.73 4.51 0.00 1.47 1.36 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.41 0.00 1.76 1.81 0.00 3.51 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 73 A 9.05 3.46 1.19 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 0.00 0.00 0.00 74 Q 7.56 4.41 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.70 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 75 V 7.28 4.59 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 0.86 0.00 0.00 0.98 0.00 0.00 76 P 0.00 4.48 0.00 2.19 2.11 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 77 A 8.33 4.62 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 78 S 7.94 4.18 0.00 3.92 3.97 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 79 E 8.22 3.90 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 2.54 2.50 0.00 80 L 7.96 4.10 0.00 2.04 1.81 1.03 1.05 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 81 D 8.42 4.82 0.00 2.98 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 82 A 8.84 4.29 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 0.00 0.00 0.00 0.00 0.00 83 W 8.36 4.07 0.00 3.72 3.24 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 *85 E 8.11 4.47 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 86 S 7.71 4.40 0.00 3.77 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 87 R 8.28 4.22 0.00 1.70 2.05 0.00 2.65 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 88 I 7.58 4.46 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.27 0.90 0.00 0.00 89 Y 8.28 4.29 0.00 3.09 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 90 P 0.00 4.27 0.00 2.11 2.12 0.00 3.90 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 2.40 2.18 0.00 91 V 7.78 3.40 2.29 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 1.01 0.00 0.00 1.05 0.00 0.00 *93 S 8.17 4.38 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.62 4.26 0.00 2.70 2.46 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 0.00 0.00 0.00 0.00 95 I 7.87 4.56 1.82 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 1.49 0.65 0.90 0.00 0.00 96 P 0.00 4.16 0.00 2.25 2.30 0.00 3.71 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 2.06 2.03 0.00 97 A 8.04 3.93 1.31 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 0.00 0.00 98 L 7.84 3.84 0.00 1.71 1.63 0.85 0.77 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 99 S 7.86 4.08 0.00 4.00 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 0.00 100 D 7.75 4.47 0.00 2.89 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 0.00 101 L 7.47 4.15 0.00 1.69 1.71 0.88 0.77 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 0.00 102 I 6.95 4.66 2.15 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 1.56 0.68 0.90 0.00 0.00 103 T 8.26 4.59 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 1.26 0.00 0.00 104 S 7.72 4.59 0.00 3.89 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 *106 V 7.77 4.31 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 0.86 0.00 0.00 0.99 0.00 0.00 107 A 8.83 3.77 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 0.00 108 S 9.06 4.40 0.00 3.82 3.62 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 0.00 109 G 7.31 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 0.00 110 Y 8.32 4.58 0.00 3.03 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 0.00 111 D 8.38 5.02 0.00 2.53 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 0.00 112 Y 8.64 4.72 0.00 2.86 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 0.00 113 R 8.79 4.91 0.00 1.86 1.91 0.00 3.07 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 114 R 8.19 4.36 0.00 1.45 1.70 0.00 2.91 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 115 D 7.38 3.92 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.52 4.27 0.00 2.69 2.61 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 0.00 117 D 8.08 4.50 0.00 2.69 2.60 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 0.00 118 A 8.08 4.34 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.00 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 0.00 0.00 0.00 0.00 120 L 7.29 4.59 0.00 1.71 1.56 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 121 W 6.97 5.22 0.00 3.71 3.46 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 0.00 0.00 0.00 0.00 122 S 9.37 4.90 0.00 3.83 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 0.00 123 S 9.71 5.41 0.00 3.35 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 0.00 124 A 7.98 4.59 0.74 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 0.00 125 D 8.48 4.59 0.00 2.60 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 0.00 0.00 0.00 0.00 126 L 8.19 4.56 0.00 1.53 1.43 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.36 5.11 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 0.82 0.00 0.00 128 Y 8.81 5.16 0.00 2.93 2.93 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 0.00 129 V 8.64 4.96 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 0.84 0.00 0.00 0.97 0.00 0.00 130 I 8.96 5.19 2.01 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 0.87 0.96 0.00 0.00 131 T 8.58 5.29 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 1.23 0.00 0.00 132 Y 8.54 5.14 0.00 3.14 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 0.00 133 E 8.77 5.33 0.00 2.01 1.75 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 2.18 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.