NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 Q 4.2150 8.3444 119.1200 55.0538 28.9979 172.2730 3 D 4.5329 8.2388 123.0488 52.2665 41.5221 174.5654 4 E 4.1940 9.6262 125.1689 58.6213 30.9376 175.3500 5 R 3.9961 8.1434 115.4020 59.0489 30.1004 177.7940 6 W 4.3349 8.0030 116.2594 58.1428 29.4726 177.3892 7 N 4.4932 8.4462 116.7686 56.2744 38.3154 175.6150 8 H 4.9099 7.6415 112.7764 53.3690 29.1735 170.9137 9 P 4.5967 0.0000 0.0000 61.7400 32.7854 177.6357 10 L 4.1760 8.3649 118.6070 57.8771 41.7734 177.2813 11 Y 4.8203 7.3729 115.7927 56.7722 41.4540 173.1851 12 T 4.4948 7.3991 114.6307 60.2488 71.9967 172.5176 13 T 4.5272 7.8533 115.8703 60.9551 70.4242 172.5829 14 T 4.8423 8.1587 112.7025 59.7776 72.3276 172.4957 15 A 4.9050 8.5508 124.3179 50.2322 22.2169 175.3019 16 I 4.3931 8.3300 121.5499 59.2725 41.1691 174.3544 17 N 5.1092 8.6988 123.8808 51.6703 41.1596 173.1057 18 D 4.9590 8.9028 125.2724 52.8980 40.0134 174.9313 19 E 4.7437 8.1613 118.3771 54.4949 32.6716 175.2664 20 E 4.2073 8.3586 119.1610 56.0476 30.3133 178.0936 21 L 3.9109 8.6407 121.6507 58.3448 41.9596 176.4418 22 E 4.8204 7.9969 119.2683 55.6094 29.1679 176.1832 23 G 3.8731 8.3808 119.2658 46.2286 0.0000 170.1148 24 H 5.5508 8.8170 121.5356 54.5278 33.3731 172.5957 25 A 5.2293 9.0447 121.6288 50.7154 22.6424 174.7127 26 Y 5.3172 8.6198 116.8501 55.9180 42.2989 173.7036 27 I 4.7667 8.8569 122.3317 58.4137 38.9316 173.8387 28 P 4.5823 0.0000 0.0000 64.2899 31.4658 176.7929 29 G 4.0913 9.4411 110.8445 45.7018 0.0000 173.4086 30 G 3.9417 8.2345 111.2900 43.8464 0.0000 172.9976 31 L 4.0502 8.6971 124.8713 54.9092 42.7237 175.8743 32 K 5.1364 8.6091 126.2901 54.5736 34.7202 175.1497 33 V 4.6051 8.6360 119.0909 59.3292 35.2164 174.8431 34 Q 4.5673 8.7067 125.7949 56.2882 30.3598 174.7008 35 T 5.3766 8.5448 115.9307 60.3742 72.4492 172.5996 36 S 5.1082 8.4228 115.3622 58.0226 66.2822 174.5161 37 S 4.1736 8.9204 116.8436 56.9183 62.5667 173.7221 38 P 4.3693 0.0000 0.0000 62.3411 29.5520 174.2107 *40 N 4.4530 7.5899 115.0562 53.8187 38.6777 173.9677 41 D 4.7662 8.3229 114.7352 53.3591 39.6995 176.4464 42 H 4.4746 8.2219 117.0679 55.2444 29.2462 173.7097 43 P 4.2995 0.0000 0.0000 63.2115 31.7783 175.3294 44 G 4.1599 8.2532 106.2318 43.6863 0.0000 173.7806 45 T 4.4579 8.7504 116.2053 60.8818 69.4556 172.8024 46 N 4.9702 7.9393 117.3993 50.6234 40.8887 173.1581 47 P 4.2533 0.0000 0.0000 65.5436 31.2800 178.8752 48 E 3.4635 7.8616 116.9571 59.3238 29.2711 179.0909 49 Q 3.9235 8.5216 118.2641 59.1174 28.7700 179.1178 50 L 3.9830 8.0792 120.0220 57.5951 41.5237 179.4023 51 L 4.0384 8.2916 120.7131 57.9965 41.9886 179.1768 52 G 3.5979 8.1513 105.7118 47.8347 0.0000 175.5095 53 L 3.9587 8.2647 122.0345 57.4431 41.6034 179.5637 54 S 4.0341 8.1935 112.9922 61.4174 62.3757 176.0645 55 L 3.9238 8.2179 123.5724 58.0419 41.8381 178.9178 56 S 4.1604 8.2732 114.4768 61.8506 62.7586 176.7312 57 T 3.8603 7.8315 119.0984 66.3567 68.1928 176.3583 58 C 4.0763 8.2303 120.6590 62.4156 31.5463 175.5498 59 L 3.9992 8.3163 121.0398 57.8330 41.3537 179.1456 60 E 3.9595 8.4167 119.0335 59.2152 29.7032 178.7103 61 A 4.0597 8.2363 120.9726 55.4494 18.4548 179.7938 62 T 3.7988 8.0551 114.2925 66.6005 68.5220 176.6562 63 L 3.9308 8.2598 122.6750 58.1051 42.0876 178.5527 64 E 4.4268 8.5609 120.3577 58.7234 29.4863 178.7200 65 A 3.9128 7.7979 120.2957 55.1248 18.5080 179.8398 66 V 3.3735 7.7803 116.7509 65.9261 31.6885 178.0096 67 E 3.6734 8.3667 118.7660 59.2959 29.2773 179.2612 68 K 3.9108 7.9191 119.4735 59.6535 32.0396 178.6477 69 E 3.9075 8.1109 117.6025 58.9784 29.3448 178.0067 70 H 4.7556 7.6315 113.5488 54.5026 29.0780 175.1451 71 G 3.9636 8.0628 108.7073 46.5928 0.0000 173.8225 72 L 4.8221 7.7906 118.3529 51.5014 44.2515 174.9904 73 P 4.4055 0.0000 0.0000 62.5346 32.0388 176.0251 74 H 4.9013 8.6113 119.2896 56.3427 28.7579 174.4805 75 T 4.4659 8.9855 116.0378 60.9312 69.3712 174.6272 76 G 4.0224 7.8928 110.5341 45.5584 0.0000 173.0714 77 A 4.9382 8.0691 120.8310 50.0092 22.3051 175.3507 78 V 4.8829 8.4311 119.8223 61.1205 34.7148 174.5457 79 R 4.3632 8.8945 127.8931 54.2571 32.6450 174.2217 80 V 4.7772 8.2286 125.4982 61.0757 33.8275 174.5264 81 K 4.5152 9.1176 128.0782 55.2475 33.9547 175.8237 82 V 4.9011 8.2960 123.3260 61.0414 34.2236 174.1830 83 A 4.8425 9.0402 129.4400 50.0803 22.0211 174.5999 84 F 5.6930 8.8174 123.5085 56.6315 41.0515 174.7554 85 I 4.4450 9.2100 118.9382 59.6058 41.1840 173.3484 86 G 4.1118 8.8007 105.7554 45.0356 0.0000 172.1313 87 A 4.1786 7.7423 123.1045 50.3136 22.2404 175.2675 88 R 3.6333 8.1749 118.2406 58.2175 29.9796 175.8072 89 A 3.8299 8.9033 125.4855 52.9137 16.7645 177.1159 90 E 4.6763 7.9156 117.3037 56.3067 30.7545 174.4635 91 Y 5.2990 7.8562 115.1488 57.1938 40.1232 175.9176 92 Q 4.7514 9.3746 120.3522 54.6002 33.9649 173.6868 93 F 5.8594 8.8268 118.8998 56.1109 41.6164 175.0738 94 L 5.0770 9.0188 122.2168 53.1091 44.7587 175.6400 95 V 4.8975 9.0199 122.0634 61.4661 35.0990 173.6944 96 H 5.4438 9.5884 127.0513 54.5797 32.8686 171.5944 97 A 5.1271 9.0469 128.4969 50.7082 21.2638 175.5362 98 Q 5.0079 9.3448 120.2752 54.1711 32.4618 175.0685 99 V 5.1430 8.5375 122.5491 60.0228 35.8649 174.6730 *101 V 4.0225 8.1113 120.4981 62.2553 30.9593 175.3060 102 K 3.9390 8.4640 128.9682 58.9872 32.2165 178.2620 103 G 3.8330 8.2182 105.8806 46.5471 0.0000 173.2392 104 V 4.4966 7.2472 112.3598 58.2344 35.7561 175.3762 105 D 4.6069 8.2133 121.1838 53.2134 41.1966 177.1582 106 F 4.0243 8.6558 121.7150 61.5706 39.4363 176.9418 107 D 4.2540 8.1025 118.0973 57.5413 40.5436 178.7897 108 T 3.5199 8.1592 116.0803 66.3044 68.3224 176.5486 109 A 3.6466 7.7884 122.9042 55.0444 18.2513 179.8875 110 K 3.9083 8.0939 118.2494 58.8359 32.0822 179.4400 111 A 3.9741 7.7900 121.0171 55.3051 18.2891 179.7458 112 F 4.4216 8.3353 116.5845 60.9695 38.8880 178.0140 113 T 3.9048 8.2170 115.6139 66.7818 68.0607 176.3139 114 N 4.3346 8.3661 118.3872 56.3650 38.6091 177.3266 115 E 4.0262 8.3308 120.1631 59.4630 29.5205 179.5330 116 I 3.8242 8.0457 113.1894 63.7375 37.4573 177.7204 117 E 3.9719 8.2030 120.6228 59.3317 29.5307 178.1723 118 N 4.5926 7.8686 114.4547 54.8082 38.8203 175.9861 119 R 4.4013 7.1415 117.2994 56.8200 32.4328 176.2469 120 C 4.1978 8.3491 119.6840 58.6246 32.0534 172.1367 121 P 4.2103 0.0000 0.0000 65.8608 31.0344 178.8141 122 V 3.5385 7.6664 116.3994 65.9286 31.3170 177.8989 123 S 3.9476 7.9951 113.4374 61.7386 62.8878 176.4527 124 K 4.1591 8.3063 121.0626 59.4788 31.5442 179.3585 125 L 4.0002 7.7301 118.3692 57.4823 41.8757 178.8309 126 L 4.2937 7.6331 116.8066 55.2160 41.5990 178.4885 127 K 4.0308 7.4421 120.2008 59.4365 32.1106 176.7334 128 N 4.8819 7.7939 112.5968 53.0691 38.6863 176.1776 129 S 4.1647 8.2010 115.7046 59.3295 63.2870 175.7879 130 G 3.9821 8.3854 107.2100 45.8028 0.0000 173.1225 131 N 5.0923 8.3611 115.6150 52.7587 40.6812 172.9302 132 Y 5.5957 8.1639 120.6499 56.0284 41.1462 174.6632 133 T 4.5769 8.8967 115.8124 59.9439 72.7833 172.5632 134 I 5.0888 7.8771 121.6093 59.5888 41.3188 173.6274 135 E 4.8314 9.1749 125.4912 55.2524 33.7481 173.8142 136 T 5.0569 8.4303 116.9293 62.5265 70.5176 174.3324 137 V 5.1749 8.8965 118.8188 60.1452 35.5509 175.5845 138 T 4.4114 8.5683 110.1617 61.9816 69.8321 173.3307 139 D 4.2460 7.5214 119.6702 53.2832 41.6712 174.6405 140 F 5.3061 8.1755 115.8948 57.3284 39.4970 176.7660 141 K 4.1079 8.6234 122.2097 57.8415 32.6109 177.9805 142 D 4.8008 8.6629 119.0468 53.9279 39.6928 174.4041 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 *2 Q 8.34 4.22 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 D 8.24 4.53 0.00 2.88 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 4 E 9.63 4.19 0.00 1.93 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 2.31 1.90 0.00 5 R 8.14 4.00 0.00 1.78 1.89 0.00 3.06 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 6 W 8.00 4.33 0.00 3.43 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.45 4.49 0.00 2.79 2.72 0.00 0.00 6.71 8.94 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 8 H 7.64 4.91 0.00 3.11 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.60 0.00 2.31 1.98 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 10 L 8.36 4.18 0.00 1.71 1.81 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.37 4.82 0.00 2.83 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 12 T 7.40 4.49 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 1.27 0.00 0.00 13 T 7.85 4.53 4.17 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 1.31 0.00 0.00 14 T 8.16 4.84 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 1.17 0.00 0.00 15 A 8.55 4.91 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 16 I 8.33 4.39 0.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.46 0.79 0.00 0.00 17 N 8.70 5.11 0.00 2.65 2.65 0.00 0.00 6.85 8.47 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 18 D 8.90 4.96 0.00 2.80 2.72 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 19 E 8.16 4.74 0.00 2.02 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 2.28 2.32 0.00 20 E 8.36 4.21 0.00 2.18 1.90 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 2.41 2.32 0.00 21 L 8.64 3.91 0.00 1.71 1.68 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.00 4.82 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 23 G 8.38 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 24 H 8.82 5.55 0.00 3.10 3.32 0.00 5.80 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 25 A 9.04 5.23 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 26 Y 8.62 5.32 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 27 I 8.86 4.77 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.31 1.01 0.00 0.00 28 P 0.00 4.58 0.00 2.09 2.13 0.00 3.84 0.00 0.00 3.70 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 29 G 9.44 4.09 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 0.00 0.00 0.00 30 G 8.23 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 31 L 8.70 4.05 0.00 1.77 1.60 0.95 0.43 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 32 K 8.61 5.14 0.00 1.76 1.66 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.63 7.81 33 V 8.64 4.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 34 Q 8.71 4.57 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 35 T 8.54 5.38 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 1.26 0.00 0.00 36 S 8.42 5.11 0.00 4.14 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 37 S 8.92 4.17 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.37 0.00 2.14 1.96 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 *40 N 7.59 4.45 0.00 2.68 2.83 0.00 0.00 6.28 8.06 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 41 D 8.32 4.77 0.00 2.79 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 42 H 8.22 4.47 0.00 3.19 3.26 0.00 5.68 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 43 P 0.00 4.30 0.00 2.16 1.98 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 44 G 8.25 4.16 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 0.00 0.00 0.00 45 T 8.75 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 1.22 0.00 0.00 46 N 7.94 4.97 0.00 2.97 2.96 0.00 0.00 5.98 7.76 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 47 P 0.00 4.25 0.00 2.46 2.26 0.00 3.54 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 2.13 2.19 0.00 48 E 7.86 3.46 0.00 1.95 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 1.76 1.47 0.00 49 Q 8.52 3.92 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 50 L 8.08 3.98 0.00 1.68 1.72 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.29 4.04 0.00 1.89 1.87 0.92 1.35 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 52 G 8.15 3.60 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 0.00 0.00 0.00 53 L 8.26 3.96 0.00 1.82 1.72 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.19 4.03 0.00 3.88 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 55 L 8.22 3.92 0.00 1.70 1.67 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.27 4.16 0.00 4.07 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 57 T 7.83 3.86 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 58 C 8.23 4.08 0.00 3.11 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 59 L 8.32 4.00 0.00 1.81 1.75 1.01 0.79 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 60 E 8.42 3.96 0.00 2.23 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 0.00 2.37 2.43 0.00 61 A 8.24 4.06 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 62 T 8.06 3.80 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 1.22 0.00 0.00 63 L 8.26 3.93 0.00 1.89 1.90 1.03 0.94 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 64 E 8.56 4.43 0.00 1.98 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 2.19 1.91 0.00 65 A 7.80 3.91 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 66 V 7.78 3.37 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 0.44 0.00 0.00 0.88 0.00 0.00 67 E 8.37 3.67 0.00 2.14 2.17 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 2.47 2.43 0.00 68 K 7.92 3.91 0.00 1.84 1.99 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.49 7.81 69 E 8.11 3.91 0.00 1.99 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 2.28 2.42 0.00 70 H 7.63 4.76 0.00 3.18 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.79 4.82 0.00 1.84 1.66 1.20 0.91 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 73 P 0.00 4.41 0.00 2.20 2.08 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 74 H 8.61 4.90 0.00 3.09 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.99 4.47 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 1.22 0.00 0.00 76 G 7.89 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 77 A 8.07 4.94 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 78 V 8.43 4.88 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 0.90 0.00 0.00 1.08 0.00 0.00 79 R 8.89 4.36 0.00 0.67 0.88 0.00 2.86 0.00 0.00 2.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 0.00 80 V 8.23 4.78 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 0.88 0.00 0.00 0.95 0.00 0.00 81 K 9.12 4.52 0.00 1.76 1.71 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.38 7.81 82 V 8.30 4.90 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 0.55 0.00 0.00 0.91 0.00 0.00 83 A 9.04 4.84 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 84 F 8.82 5.69 0.00 2.85 2.92 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 85 I 9.21 4.45 1.87 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 1.41 0.68 0.94 0.00 0.00 86 G 8.80 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 0.00 0.00 0.00 87 A 7.74 4.18 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 88 R 8.17 3.63 0.00 1.75 1.82 0.00 3.39 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 89 A 8.90 3.83 1.33 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 90 E 7.92 4.68 0.00 1.80 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 2.23 2.31 0.00 91 Y 7.86 5.30 0.00 3.02 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 92 Q 9.37 4.75 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 93 F 8.83 5.86 0.00 2.89 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 94 L 9.02 5.08 0.00 1.64 1.63 0.97 1.05 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 95 V 9.02 4.90 2.25 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 0.98 0.00 0.00 1.01 0.00 0.00 96 H 9.59 5.44 0.00 3.26 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 9.05 5.13 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 98 Q 9.34 5.01 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.50 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 99 V 8.54 5.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.99 0.00 0.00 *101 V 8.11 4.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 102 K 8.46 3.94 0.00 2.04 1.80 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.26 7.81 103 G 8.22 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.25 4.50 1.90 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 0.74 0.00 0.00 0.72 0.00 0.00 105 D 8.21 4.61 0.00 2.95 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 0.00 106 F 8.66 4.02 0.00 3.08 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 0.00 107 D 8.10 4.25 0.00 2.69 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 0.00 108 T 8.16 3.52 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 0.38 0.00 0.00 109 A 7.79 3.65 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 0.00 110 K 8.09 3.91 0.00 1.71 1.70 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.10 0.49 7.81 111 A 7.79 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 0.00 112 F 8.34 4.42 0.00 3.08 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 0.00 113 T 8.22 3.90 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 1.20 0.00 0.00 114 N 8.37 4.33 0.00 2.93 2.88 0.00 0.00 7.08 7.38 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 0.00 115 E 8.33 4.03 0.00 2.23 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 2.37 2.59 0.00 116 I 8.05 3.82 1.89 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 1.73 1.04 1.02 0.00 0.00 117 E 8.20 3.97 0.00 2.10 2.22 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 2.37 2.40 0.00 118 N 7.87 4.59 0.00 2.88 2.87 0.00 0.00 6.91 7.48 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 0.00 119 R 7.14 4.40 0.00 1.90 1.93 0.00 3.15 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 120 C 8.35 4.20 0.00 2.98 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 0.00 121 P 0.00 4.21 0.00 2.17 2.06 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 122 V 7.67 3.54 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 0.97 0.00 0.00 0.90 0.00 0.00 123 S 8.00 3.95 0.00 4.10 4.17 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 0.00 124 K 8.31 4.16 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.67 7.81 125 L 7.73 4.00 0.00 1.76 1.71 0.90 1.04 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 0.00 126 L 7.63 4.29 0.00 1.42 1.54 0.35 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.44 4.03 0.00 1.77 1.98 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.57 7.81 128 N 7.79 4.88 0.00 2.77 2.84 0.00 0.00 6.92 7.57 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 0.00 129 S 8.20 4.16 0.00 4.04 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.39 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 0.00 0.00 0.00 131 N 8.36 5.09 0.00 2.81 3.00 0.00 0.00 6.35 7.57 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 0.00 132 Y 8.16 5.60 0.00 2.82 2.84 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 0.00 133 T 8.90 4.58 4.26 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 1.20 0.00 0.00 134 I 7.88 5.09 1.58 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 1.36 0.98 0.74 0.00 0.00 135 E 9.17 4.83 0.00 2.08 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 2.21 2.36 0.00 136 T 8.43 5.06 3.91 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 0.83 0.00 0.00 137 V 8.90 5.17 2.32 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 0.85 0.00 0.00 1.14 0.00 0.00 138 T 8.57 4.41 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 1.24 0.00 0.00 139 D 7.52 4.25 0.00 2.66 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 0.00 140 F 8.18 5.31 0.00 3.06 2.92 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 0.00 141 K 8.62 4.11 0.00 1.86 1.77 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.48 7.81 142 D 8.66 4.80 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.