NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4940 8.3349 115.4194 58.8142 63.6807 172.3275 3 N 4.4516 8.0149 122.9680 52.4153 42.0404 170.7738 4 T 4.7391 7.8446 112.8970 62.1955 71.5299 173.0942 5 L 4.5106 8.3260 119.5269 56.0347 43.9864 173.6232 6 F 4.9077 6.9924 120.8453 57.3057 42.3368 171.9676 7 D 5.6895 6.0821 123.4867 54.0370 43.5703 175.6860 8 D 4.3077 7.3931 121.9227 54.8222 46.6177 174.0842 9 I 5.1573 9.0494 116.4933 60.3694 41.8289 174.4320 10 F 5.5611 9.8169 123.6592 55.9929 44.3559 173.4142 11 Q 4.7081 9.3680 121.1932 54.3493 31.9969 174.5432 12 V 4.3553 8.4036 127.7709 62.6626 31.7413 176.8146 13 S 4.3284 10.7700 125.7107 61.6966 63.4991 174.9225 14 E 4.7655 7.7463 115.9430 55.3666 33.9690 175.2361 15 V 4.6069 8.1696 122.1580 60.3799 34.1243 173.7646 16 D 4.6939 8.7537 129.0476 52.7585 42.3234 174.5757 17 P 4.8212 0.0000 0.0000 62.4836 31.6878 173.6527 18 G 4.0135 7.2421 109.3198 48.6358 0.0000 171.8613 19 R 4.3542 8.6954 125.1351 56.0769 28.0078 177.2293 20 Y 4.5469 6.0549 113.3166 58.2006 38.3331 175.3826 21 N 4.8457 8.7631 118.2345 53.5574 40.2147 175.8017 22 K 4.6070 8.0357 115.5925 55.9038 34.4027 175.7968 23 V 4.9870 7.8202 119.1723 61.3983 34.5335 174.1578 24 C 5.0244 9.0195 122.3458 58.4495 33.4615 172.9398 25 R 4.9082 9.4693 122.8993 54.6925 31.6256 175.2113 26 I 4.8115 8.3933 128.8742 60.5583 38.2402 175.5236 27 E 4.6400 8.9701 127.5875 56.0386 30.2395 175.4491 28 A 5.2356 8.6769 126.7571 50.0705 22.0744 175.2096 29 A 5.0933 9.1283 122.5160 50.3525 22.2801 175.8638 30 S 4.6750 8.4386 114.3392 57.6684 63.5697 174.0074 31 T 4.3094 8.4413 117.4830 63.0711 69.2515 172.1487 32 T 3.8211 8.8426 124.6262 61.9345 65.7484 175.6554 33 Q 4.0253 9.2164 135.0000 57.5645 28.0174 176.5383 34 D 4.3798 8.4722 124.3510 57.3167 40.5739 178.1168 35 Q 4.1490 7.1940 118.1947 57.2790 29.6122 175.1609 36 C 5.0216 8.1590 115.6551 59.8712 33.0183 172.6141 37 K 5.2250 8.8647 125.9543 54.6132 36.4585 174.1713 38 L 5.0402 8.6728 124.5635 53.6959 45.5829 174.8561 39 T 5.0010 8.1301 122.8814 61.8200 71.4390 173.0436 40 L 5.1852 8.4632 124.8694 55.1711 46.5051 172.3727 41 D 5.3751 8.8897 125.0380 53.0443 42.4352 175.9319 42 I 4.6626 8.5682 123.7792 59.3160 42.0467 174.6252 43 N 5.1770 9.4507 125.5438 53.4884 38.8933 175.0034 44 V 4.3719 8.7006 124.6667 61.7268 32.1926 177.6956 45 E 4.3369 8.9778 122.0384 58.6097 30.2014 177.1941 46 L 4.3400 8.0968 114.9902 55.2736 42.1685 177.0196 47 F 4.5041 7.3320 115.1907 57.2316 41.5358 171.1932 48 P 4.5515 0.0000 0.0000 61.3380 32.5146 175.9160 49 V 4.1294 7.6042 114.8670 62.3716 34.0568 171.6471 50 A 4.7595 8.7772 129.2359 49.5470 22.1020 175.3687 51 A 3.9781 8.5089 121.9993 53.1100 18.8415 176.9038 52 Q 3.2504 8.5029 116.0049 56.8757 29.2189 173.9347 53 D 4.7549 7.6813 119.7077 55.7998 42.1733 175.2244 54 S 5.2342 8.3071 112.4684 57.6339 66.6262 173.3827 55 L 4.8453 10.3743 119.3166 53.5334 46.1426 176.0735 56 T 5.0468 8.5947 120.7763 61.6783 69.8712 174.1827 57 V 4.2653 8.7127 128.3255 61.9667 32.8908 174.5987 58 T 5.4009 8.4787 126.1632 61.0176 70.1737 174.7894 59 I 4.6174 8.8830 127.1918 61.0717 38.8822 174.9460 60 A 4.8980 8.2980 124.4849 52.7051 21.8894 177.1372 61 S 5.0411 8.8283 109.2292 59.0912 68.4613 174.1528 62 S 4.6682 8.3220 115.6972 59.0297 65.1444 177.8015 63 L 3.4439 8.0315 114.0712 55.7035 38.3273 176.1477 *76 T 4.1858 7.6676 113.9113 62.4487 70.4360 171.5204 77 R 4.0680 8.0320 125.6357 55.0991 30.7372 177.3949 78 S 4.7014 8.4115 110.3421 57.4103 61.2643 173.5221 79 W 5.2959 8.5241 127.3170 56.1689 33.6440 173.8808 80 R 4.7282 6.8706 120.0077 54.0471 34.7347 175.8602 81 P 4.4591 0.0000 0.0000 61.5891 31.0061 176.6202 82 P 4.6237 0.0000 0.0000 63.5594 28.8568 174.8744 83 Q 3.8488 8.2637 114.9560 55.7013 27.3217 173.9264 84 A 3.9679 7.7615 120.3098 55.5857 19.3608 178.0743 85 G 4.3742 7.5089 105.6805 42.3982 0.0000 171.1994 86 D 4.5327 7.1671 127.1824 53.7046 42.6533 178.7939 87 R 4.2908 8.1534 115.6972 57.9757 32.1605 177.9327 88 S 4.3905 7.8899 109.4040 58.9757 62.1585 175.8112 89 L 4.1886 7.7833 122.9207 54.6639 38.7956 177.5633 90 A 3.9351 8.2684 122.0296 53.1161 18.6607 176.8293 91 D 5.1190 8.3600 117.1604 53.0450 42.3399 175.8814 92 D 4.9628 8.9060 128.1443 54.4680 41.5486 175.9248 93 Y 4.8140 7.9366 116.7201 56.5728 40.1997 175.8397 94 D 4.7474 8.7791 120.6085 57.2494 41.9096 177.1817 95 Y 4.4545 7.9204 119.6027 55.9563 41.9432 174.0909 96 V 4.8440 8.0704 125.8618 61.4972 34.8911 174.3578 97 M 4.6994 8.8801 126.6924 53.7898 35.4934 173.9856 98 Y 5.0151 8.5548 119.6794 56.5825 42.3368 173.6761 99 G 3.6856 8.2774 114.8860 45.6722 0.0000 170.7598 100 T 4.9111 7.7876 114.5745 62.2812 73.5406 172.7442 101 A 5.0128 8.0032 124.8626 50.4032 20.5864 176.2733 102 Y 4.5172 8.3259 117.4409 55.6550 38.8596 175.4679 103 K 3.7928 6.4469 124.1945 55.7658 31.3006 178.4151 104 F 3.7783 8.0922 116.5746 65.1378 35.4362 178.7586 105 E 4.1890 6.6445 120.0485 59.6261 25.7166 177.8531 106 E 4.4709 8.5511 120.0011 57.2960 30.1990 178.3274 107 V 3.0740 6.6001 109.8089 64.7154 29.3934 172.5131 108 S 4.8476 8.4093 122.4560 56.2120 66.6649 178.0954 109 K 3.7814 8.7174 124.6735 57.6757 31.5870 176.0592 110 D 4.7729 8.8211 122.1484 54.9394 42.6949 174.6095 111 L 5.2713 7.5383 117.5290 53.7106 43.6162 176.2489 112 I 4.7079 8.0417 121.3325 59.8117 40.6964 174.3808 113 A 5.8437 8.3974 123.8943 49.5854 22.0539 175.5225 114 V 4.2996 8.2242 121.7107 60.4757 34.2058 175.7712 115 Y 4.1297 7.6480 118.6840 57.6582 39.8482 173.6720 116 Y 3.5692 7.0918 120.8151 57.7704 38.0928 169.1354 117 S 4.9086 9.0793 118.1131 56.5297 65.1317 172.8078 118 F 4.2764 10.4295 127.4844 56.5102 37.9754 175.3285 119 G 3.7324 9.7228 111.1523 46.0434 0.0000 172.4394 120 G 3.9164 8.0503 107.6384 44.4292 0.0000 174.3493 121 L 4.2244 8.0758 121.2149 54.9481 42.6117 176.3575 122 L 5.2700 9.0431 124.1545 53.5097 44.3112 175.1400 123 M 5.6015 9.1473 120.2561 53.2555 36.9707 173.9492 124 R 4.5127 8.0107 117.7347 55.3951 33.9221 172.9418 125 L 5.5319 7.9689 126.6725 52.3109 43.6925 175.5171 126 E 4.5262 8.6184 125.5091 55.3763 31.8205 175.9745 127 G 4.0773 9.1616 119.1991 46.5632 0.0000 173.4245 128 N 4.3134 8.2776 130.7449 54.2074 42.1422 174.7229 129 Y 4.5127 8.0857 114.1243 58.3717 39.1962 175.3998 130 R 4.7292 7.4284 117.0196 55.2752 28.7679 175.3992 131 N 4.3363 7.5606 116.6519 56.9222 40.1232 176.2137 132 L 4.3432 7.4584 120.8989 54.2592 40.7812 175.7908 133 N 4.8715 7.6380 115.0983 54.0377 45.7800 173.4018 134 N 4.8050 7.5846 115.4481 51.6280 39.0264 174.3935 135 L 3.7744 8.6209 122.7507 55.0545 41.3910 178.8531 136 K 4.1055 8.3249 124.2556 58.4954 32.6611 175.2735 137 Q 4.5740 7.6402 117.3339 54.8197 33.6941 173.3966 138 E 4.0837 9.1810 120.7800 56.5475 29.8176 178.7236 139 N 3.9919 7.7898 111.1312 54.1882 35.4695 172.9117 140 A 4.7077 7.9718 119.6320 50.0323 22.2735 176.0098 141 Y 5.1162 9.2851 119.9661 58.5417 39.9860 174.9265 142 L 5.0560 8.6593 122.6530 53.7280 46.1853 174.8886 143 L 5.1009 8.2067 123.0717 53.2028 46.5176 175.3364 144 I 5.3152 8.5854 122.7731 59.6840 41.2742 174.5212 145 R 5.2089 9.0809 122.3026 54.3535 33.2920 175.7513 146 R 4.2858 8.3468 118.1422 56.6681 30.0719 176.0576 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 S 8.33 4.49 0.00 4.01 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 3 N 8.01 4.45 0.00 2.81 2.81 0.00 0.00 6.85 6.65 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 4 T 7.84 4.74 4.30 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 1.26 0.00 0.00 5 L 8.33 4.51 0.00 1.91 1.91 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 F 6.99 4.91 0.00 3.18 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 7 D 6.08 5.69 0.00 2.78 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 8 D 7.39 4.31 0.00 2.05 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 0.00 0.00 0.00 9 I 9.05 5.16 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.99 0.00 0.00 10 F 9.82 5.56 0.00 2.79 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 11 Q 9.37 4.71 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 12 V 8.40 4.36 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 0.98 0.00 0.00 0.96 0.00 0.00 13 S 10.77 4.33 0.00 3.83 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 14 E 7.75 4.77 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 15 V 8.17 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 1.11 0.00 0.00 0.95 0.00 0.00 16 D 8.75 4.69 0.00 2.87 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 17 P 0.00 4.82 0.00 2.43 2.26 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 18 G 7.24 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 0.00 0.00 0.00 19 R 8.70 4.35 0.00 1.58 2.09 0.00 3.32 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 20 Y 6.05 4.55 0.00 3.17 2.75 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 21 N 8.76 4.85 0.00 2.74 2.89 0.00 0.00 6.81 7.61 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 22 K 8.04 4.61 0.00 1.70 1.83 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 23 V 7.82 4.99 1.98 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 0.80 0.00 0.00 0.89 0.00 0.00 24 C 9.02 5.02 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.47 4.91 0.00 1.84 1.84 0.00 3.14 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 26 I 8.39 4.81 2.01 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 1.22 0.27 0.87 0.00 0.00 27 E 8.97 4.64 0.00 1.94 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 0.00 2.40 2.31 0.00 28 A 8.68 5.24 1.18 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 0.00 0.00 0.00 29 A 9.13 5.09 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 30 S 8.44 4.67 0.00 3.35 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 31 T 8.44 4.31 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 1.22 0.00 0.00 32 T 8.84 3.82 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 1.07 0.00 0.00 33 Q 9.22 4.03 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 34 D 8.47 4.38 0.00 2.66 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 35 Q 7.19 4.15 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 36 C 8.16 5.02 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.86 5.23 0.00 1.88 1.61 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.49 7.81 38 L 8.67 5.04 0.00 1.27 1.15 0.63 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.13 5.00 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 1.28 0.00 0.00 40 L 8.46 5.19 0.00 1.67 1.32 0.90 1.07 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 41 D 8.89 5.38 0.00 2.87 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 42 I 8.57 4.66 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.83 0.96 0.00 0.00 43 N 9.45 5.18 0.00 2.85 2.85 0.00 0.00 6.80 7.33 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 44 V 8.70 4.37 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 1.02 0.00 0.00 0.99 0.00 0.00 45 E 8.98 4.34 0.00 2.19 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 0.00 2.30 2.29 0.00 46 L 8.10 4.34 0.00 1.73 1.76 0.86 0.76 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 47 F 7.33 4.50 0.00 3.59 3.23 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 48 P 0.00 4.55 0.00 1.97 2.02 0.00 3.45 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 1.92 1.98 0.00 49 V 7.60 4.13 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 0.73 0.00 0.00 1.15 0.00 0.00 50 A 8.78 4.76 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.51 3.98 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 52 Q 8.50 3.25 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 53 D 7.68 4.75 0.00 2.84 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 54 S 8.31 5.23 0.00 4.04 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 10.37 4.85 0.00 1.68 1.63 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.59 5.05 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 57 V 8.71 4.27 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 0.98 0.00 0.00 0.87 0.00 0.00 58 T 8.48 5.40 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 1.32 0.00 0.00 59 I 8.88 4.62 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.75 0.91 0.00 0.00 60 A 8.30 4.90 1.18 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 0.00 0.00 0.00 61 S 8.83 5.04 0.00 4.07 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 62 S 8.32 4.67 0.00 3.97 3.37 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 63 L 8.03 3.44 0.00 1.61 1.60 0.91 0.80 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 *76 T 7.67 4.19 4.30 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 1.31 0.00 0.00 77 R 8.03 4.07 0.00 1.97 1.98 0.00 3.31 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 78 S 8.41 4.70 0.00 3.87 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 79 W 8.52 5.30 0.00 3.09 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 80 R 6.87 4.73 0.00 1.53 1.58 0.00 3.22 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 81 P 0.00 4.46 0.00 1.93 1.26 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 82 P 0.00 4.62 0.00 2.27 1.48 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 83 Q 8.26 3.85 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 84 A 7.76 3.97 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 85 G 7.51 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 0.00 0.00 0.00 0.00 86 D 7.17 4.53 0.00 2.80 2.83 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 87 R 8.15 4.29 0.00 1.74 1.95 0.00 3.24 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 88 S 7.89 4.39 0.00 3.84 3.85 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 89 L 7.78 4.19 0.00 1.69 1.95 0.96 0.91 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 90 A 8.27 3.94 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 91 D 8.36 5.12 0.00 2.64 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 92 D 8.91 4.96 0.00 2.48 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 93 Y 7.94 4.81 0.00 2.78 3.29 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 94 D 8.78 4.75 0.00 3.00 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 95 Y 7.92 4.45 0.00 2.65 2.48 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 96 V 8.07 4.84 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 0.91 0.00 0.00 0.91 0.00 0.00 97 M 8.88 4.70 0.00 1.66 1.32 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 98 Y 8.55 5.02 0.00 2.94 2.83 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 99 G 8.28 3.69 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 0.00 0.00 0.00 100 T 7.79 4.91 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 1.16 0.00 0.00 101 A 8.00 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.33 4.52 0.00 2.74 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 0.00 103 K 6.45 3.79 0.00 1.91 2.27 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.22 7.81 104 F 8.09 3.78 0.00 2.94 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 0.00 105 E 6.64 4.19 0.00 1.97 1.85 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 2.31 2.30 0.00 106 E 8.55 4.47 0.00 2.09 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 0.00 2.39 2.48 0.00 107 V 6.60 3.07 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 0.70 0.00 0.00 0.86 0.00 0.00 108 S 8.41 4.85 0.00 3.88 3.65 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 0.00 109 K 8.72 3.78 0.00 1.85 1.02 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.51 7.81 110 D 8.82 4.77 0.00 2.61 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 0.00 111 L 7.54 5.27 0.00 1.70 1.68 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.04 4.71 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 1.23 0.76 0.83 0.00 0.00 113 A 8.40 5.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.22 4.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.33 0.00 0.00 115 Y 7.65 4.13 0.00 2.03 1.71 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 0.00 116 Y 7.09 3.57 0.00 3.26 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 0.00 117 S 9.08 4.91 0.00 3.73 3.52 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 0.00 118 F 10.43 4.28 0.00 3.38 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 0.00 119 G 9.72 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 0.00 0.00 0.00 120 G 8.05 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 0.00 0.00 0.00 121 L 8.08 4.22 0.00 2.04 1.79 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.04 5.27 0.00 1.74 1.78 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.15 5.60 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 124 R 8.01 4.51 0.00 1.60 1.50 0.00 2.91 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 125 L 7.97 5.53 0.00 1.41 1.38 0.30 1.13 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 0.00 126 E 8.62 4.53 0.00 2.03 1.80 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 2.35 2.28 0.00 127 G 9.16 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 0.00 128 N 8.28 4.31 0.00 2.84 2.92 0.00 0.00 6.65 7.56 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 0.00 129 Y 8.09 4.51 0.00 3.19 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 0.00 130 R 7.43 4.73 0.00 2.03 2.18 0.00 2.75 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 0.00 131 N 7.56 4.34 0.00 2.74 2.81 0.00 0.00 7.23 7.85 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 0.00 132 L 7.46 4.34 0.00 1.66 1.70 0.94 0.92 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 0.00 133 N 7.64 4.87 0.00 2.69 2.96 0.00 0.00 7.21 7.79 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 0.00 134 N 7.58 4.81 0.00 2.88 2.77 0.00 0.00 7.03 7.73 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 0.00 135 L 8.62 3.77 0.00 1.73 1.70 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.32 4.11 0.00 1.74 1.87 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 137 Q 7.64 4.57 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 138 E 9.18 4.08 0.00 1.88 1.70 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 2.15 2.16 0.00 139 N 7.79 3.99 0.00 2.94 3.18 0.00 0.00 6.99 7.35 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 0.00 140 A 7.97 4.71 1.17 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 0.00 0.00 141 Y 9.29 5.12 0.00 3.02 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 0.00 142 L 8.66 5.06 0.00 1.50 0.93 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.21 5.10 0.00 1.05 0.13 0.63 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.59 5.32 1.51 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.38 0.28 0.00 0.00 145 R 9.08 5.21 0.00 1.89 2.01 0.00 2.70 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.58 0.00 146 R 8.35 4.29 0.00 2.17 1.92 0.00 2.94 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.