NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5781 8.1627 118.3419 55.2829 33.7133 173.4105 2 R 4.9380 8.3095 118.5837 53.7309 33.4744 168.3928 3 V 4.7996 9.2257 128.1272 61.0048 35.1118 173.3225 4 A 4.8977 8.6537 128.9969 50.3238 21.4569 175.7275 5 I 5.1135 8.5800 122.1742 57.3869 41.0452 173.1776 6 P 3.3923 0.0000 0.0000 62.2977 32.3398 174.9407 7 A 4.9628 7.9180 126.6565 50.1162 20.0150 177.0080 8 E 4.1372 8.7396 120.5666 58.9173 30.4941 176.0794 9 D 4.6729 7.7409 117.6897 51.9970 42.5872 174.4886 10 D 3.3700 8.2707 116.9342 53.9525 39.4748 177.7416 11 R 4.0484 8.3235 120.0524 56.9865 31.3910 177.9909 12 G 3.8638 7.0964 106.7558 46.7818 0.0000 178.2641 13 I 3.8498 8.3018 127.0023 63.2859 37.0225 177.4234 14 K 4.1027 7.5037 118.4178 57.8827 32.3713 176.9740 15 S 4.4496 8.0830 115.2129 57.9067 64.1650 172.4041 16 N 5.2779 8.3065 118.9164 51.2091 41.0394 174.9879 17 V 4.1081 8.2424 121.8285 63.3016 31.6097 176.0810 18 S 4.1773 8.8465 123.5809 58.3902 63.5346 175.4580 19 K 4.2375 8.9872 123.2669 58.9577 33.3797 176.2156 20 H 5.2586 7.8550 117.9719 53.6920 31.4588 173.6873 21 F 4.3257 8.9915 126.6623 59.2788 39.6889 173.6753 22 G 4.3877 8.3117 113.3456 46.3418 0.0000 175.2818 23 R 4.0755 7.2014 116.4422 57.5362 30.4937 177.2328 24 S 3.9617 7.8468 112.6045 58.9266 62.6872 173.6090 25 R 4.4683 8.4718 123.9230 56.0774 32.0060 174.6835 26 Y 5.2150 7.5700 116.5493 56.2454 42.7970 174.2126 27 F 4.9304 9.6951 121.0143 55.6678 43.4983 174.0858 28 V 4.6817 8.6197 123.3529 61.6747 33.0262 174.3295 29 F 5.2231 9.5899 127.9353 55.9711 41.2340 175.1371 30 V 4.6928 9.0663 123.7695 61.1498 34.1240 174.0966 31 D 5.1109 8.9869 129.3735 53.9357 41.9410 175.6239 32 I 4.9924 8.4564 125.2783 59.5427 39.4297 175.3266 33 E 4.5267 9.0303 127.1419 55.3099 32.0416 176.4068 34 G 4.0044 9.2506 113.1832 47.0659 0.0000 172.9270 35 E 3.8809 8.5362 114.1463 56.7223 27.5132 174.1086 36 D 4.9493 7.8429 117.9243 52.0062 43.3894 175.9194 37 V 4.0912 8.4000 123.4205 63.2626 31.8224 175.4735 38 K 4.4165 9.0616 127.7087 58.5033 33.2829 176.9546 39 N 5.1661 7.8327 114.8497 51.9213 43.2678 174.0637 40 V 5.1426 8.3136 120.8124 59.9979 34.3797 174.5875 41 E 4.9434 9.2485 121.6063 54.8523 33.2909 174.1145 42 V 5.0638 8.4934 121.5447 60.4719 33.6857 175.4374 43 V 4.7084 9.3267 116.6626 59.6129 35.7916 174.1198 44 E 4.3109 8.8427 125.4903 54.9066 30.9992 175.7010 45 V 2.4671 7.9793 127.3446 61.7419 32.3579 174.2642 46 P 4.4199 0.0000 0.0000 63.1311 31.3734 176.4993 47 F 5.0313 6.7587 119.7173 56.8551 41.1245 175.4006 *51 G 3.7407 8.2554 109.5533 45.6059 0.0000 171.7693 52 P 4.5732 0.0000 0.0000 63.2739 31.0678 177.6290 53 G 3.9513 8.1472 105.3348 44.7817 0.0000 174.8044 54 D 4.1366 8.0858 120.9999 57.9324 40.7571 178.8005 55 L 4.4072 7.9129 118.4843 57.3155 41.9127 177.6006 56 P 3.8302 0.0000 0.0000 65.9987 30.9492 178.1645 57 N 4.3657 8.2809 116.4695 55.7658 38.2140 176.9597 58 F 4.3262 8.6527 121.5154 61.6041 39.7614 177.0471 59 I 3.9362 8.1236 119.2036 64.1163 37.1032 177.9965 60 K 3.9473 8.6717 120.9087 59.8345 31.8077 177.7502 61 D 4.5914 8.1132 115.4702 55.4468 40.9088 176.9707 62 H 4.4099 7.8147 116.2404 54.9280 29.0903 175.4947 63 G 3.8246 7.8881 108.9801 45.1323 0.0000 173.7569 64 A 4.4388 7.7772 122.5666 52.0501 19.2131 177.8445 65 K 4.5308 9.0644 121.7555 56.9070 34.4460 176.5509 66 I 5.0071 7.6017 119.4938 59.2799 41.8769 174.3659 67 V 4.6271 8.3884 124.7992 61.0280 34.5199 174.0778 68 L 4.8141 9.0338 128.3231 53.6487 43.5575 175.4521 69 T 4.2400 8.8262 119.0438 61.3923 71.2854 171.1892 70 Y 4.3909 8.8929 121.0439 56.8859 39.9304 175.1226 71 G 3.8506 7.9463 104.4502 44.5913 0.0000 171.6035 72 I 4.6848 7.7496 118.2112 58.4971 40.9590 175.0581 73 G 3.9340 8.4819 113.0061 44.5402 0.0000 174.9308 74 R 3.9968 8.5177 121.6714 58.9685 30.1336 179.0135 75 R 3.8685 8.1495 119.4386 58.6480 30.0505 178.1844 76 A 3.9052 7.8913 120.0410 55.1877 18.5039 179.3407 77 I 3.7787 7.7200 118.2620 64.6246 36.9634 178.2666 78 E 3.9648 8.4969 119.6018 59.9462 29.3598 179.1964 79 Y 4.5517 7.9357 116.5349 61.0258 37.7812 178.5768 80 F 4.2123 8.3842 119.0358 60.8059 39.0483 177.3993 81 N 4.6087 8.3044 117.1555 56.1066 38.1821 177.5830 82 S 4.2949 8.2188 115.2367 61.3377 62.9897 175.9341 83 L 4.4510 7.7688 119.1093 54.3934 41.7014 177.1239 84 G 3.9217 8.4837 107.5717 46.0596 0.0000 173.1980 85 I 4.8993 8.2660 120.2002 59.0617 40.4331 175.0183 86 S 4.9900 8.5324 120.0501 56.6419 65.9070 173.0678 87 V 4.7118 8.1913 120.3435 61.0824 34.4814 174.4924 88 V 4.5172 8.9010 127.2958 61.3267 33.7570 174.7480 89 T 4.4311 8.5046 117.2080 60.5776 71.6197 174.6255 90 G 3.6365 7.5089 108.4136 45.4554 0.0000 173.4211 91 V 4.1559 7.5479 120.5334 62.3364 31.9140 174.8025 92 Y 4.7915 7.6773 123.0131 55.5117 41.3831 173.2957 93 G 3.7155 8.6012 104.4100 44.1314 0.0000 172.3494 94 R 4.4008 8.5033 118.4339 55.8540 31.5334 177.6679 95 I 3.6660 8.7781 128.1154 64.6205 37.0459 178.7078 96 S 4.1033 7.9254 114.4673 61.5906 62.7273 176.3544 97 D 4.3143 7.9959 122.0058 57.0255 40.5858 178.7074 98 V 3.5543 7.7478 118.6975 65.9466 31.5166 177.9076 99 I 3.7248 7.8949 119.8800 64.5031 37.0377 178.5204 100 K 4.1165 7.9449 119.0406 59.6093 32.3462 179.0321 101 A 4.1624 7.9239 121.4699 54.5336 18.5413 179.2043 102 F 4.2333 8.6769 119.9462 61.6172 39.3299 177.3882 103 I 3.7601 7.8133 118.0403 64.5732 36.9537 177.7834 104 G 3.6416 8.5542 105.1992 45.9247 0.0000 173.5134 105 G 3.8995 7.4604 112.4123 45.5429 0.0000 174.0342 106 K 4.0696 7.5824 123.2882 55.7315 31.2673 176.2437 107 L 4.0759 7.6733 120.4831 54.2826 43.2294 177.2658 108 K 4.2980 8.3208 122.1334 55.6340 32.9131 175.3677 109 I 4.7375 8.0722 126.0204 59.3984 39.2145 175.0944 110 D 4.6868 9.7369 128.0162 52.9360 41.6308 176.6223 111 Y 4.2127 8.6241 124.5641 60.1685 38.8460 176.4374 112 D 4.8434 7.4846 121.0212 52.7928 40.1997 176.3930 113 W 4.5693 7.2510 115.7367 57.5450 29.9066 177.1429 114 K 3.0098 6.5166 122.1097 56.4548 31.3160 176.2618 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 1 M 8.16 4.58 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 2 R 8.31 4.94 0.00 2.04 1.97 0.00 3.55 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 3 V 9.23 4.80 1.83 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 0.38 0.00 0.00 0.72 0.00 0.00 4 A 8.65 4.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.58 5.11 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.08 0.87 0.00 0.00 6 P 0.00 3.39 0.00 1.77 1.72 0.00 3.90 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 7 A 7.92 4.96 1.16 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 8 E 8.74 4.14 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 9 D 7.74 4.67 0.00 2.65 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 10 D 8.27 3.37 0.00 2.28 2.24 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 11 R 8.32 4.05 0.00 1.96 1.93 0.00 3.21 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 12 G 7.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.30 3.85 1.85 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 1.40 0.92 0.89 0.00 0.00 14 K 7.50 4.10 0.00 1.86 1.81 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.39 7.81 15 S 8.08 4.45 0.00 3.82 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 16 N 8.31 5.28 0.00 2.98 2.75 0.00 0.00 6.42 7.68 0.00 0.00 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 V 8.24 4.11 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 0.82 0.00 0.00 0.94 0.00 0.00 18 S 8.85 4.18 0.00 3.87 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 0.00 19 K 8.99 4.24 0.00 1.68 1.85 0.00 1.31 0.00 0.00 0.91 0.00 0.00 2.40 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.31 7.81 20 H 7.85 5.26 0.00 3.29 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.99 4.33 0.00 3.29 3.13 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 22 G 8.31 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.20 4.08 0.00 1.96 1.99 0.00 3.11 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 24 S 7.85 3.96 0.00 3.47 3.32 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 25 R 8.47 4.47 0.00 1.64 1.58 0.00 3.08 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 26 Y 7.57 5.22 0.00 2.66 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 27 F 9.70 4.93 0.00 3.03 2.37 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 28 V 8.62 4.68 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 0.95 0.00 0.00 0.90 0.00 0.00 29 F 9.59 5.22 0.00 2.98 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 30 V 9.07 4.69 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 1.07 0.00 0.00 0.91 0.00 0.00 31 D 8.99 5.11 0.00 2.76 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 32 I 8.46 4.99 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 1.02 0.00 0.00 33 E 9.03 4.53 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 34 G 9.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.54 3.88 0.00 2.10 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 2.21 2.23 0.00 36 D 7.84 4.95 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.40 4.09 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 0.82 0.00 0.00 0.97 0.00 0.00 38 K 9.06 4.42 0.00 1.65 1.85 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.57 7.81 39 N 7.83 5.17 0.00 2.79 2.67 0.00 0.00 6.65 7.68 0.00 0.00 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 V 8.31 5.14 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 0.78 0.00 0.00 0.96 0.00 0.00 41 E 9.25 4.94 0.00 2.10 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 2.26 2.40 0.00 42 V 8.49 5.06 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 0.79 0.00 0.00 1.09 0.00 0.00 43 V 9.33 4.71 2.24 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 0.75 0.00 0.00 1.52 0.00 0.00 44 E 8.84 4.31 0.00 1.93 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 1.80 1.47 0.00 45 V 7.98 2.47 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 -0.02 0.00 0.00 0.79 0.00 0.00 46 P 0.00 4.42 0.00 2.18 2.03 0.00 2.30 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 47 F 6.76 5.03 0.00 2.97 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 *51 G 8.26 3.74 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 0.00 52 P 0.00 4.57 0.00 2.36 2.24 0.00 3.78 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 2.18 2.03 0.00 53 G 8.15 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.09 4.14 0.00 2.65 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.91 4.41 0.00 1.97 2.08 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 3.83 0.00 1.95 1.10 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 57 N 8.28 4.37 0.00 3.03 2.94 0.00 0.00 6.68 7.64 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 58 F 8.65 4.33 0.00 3.54 3.49 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 59 I 8.12 3.94 2.39 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 1.04 0.00 0.00 60 K 8.67 3.95 0.00 1.86 2.02 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 61 D 8.11 4.59 0.00 2.66 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 62 H 7.81 4.41 0.00 2.59 2.19 0.00 5.87 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 63 G 7.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.78 4.44 1.49 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 0.00 0.00 65 K 9.06 4.53 0.00 1.70 1.88 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.57 7.81 66 I 7.60 5.01 1.82 0.00 0.00 1.00 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 0.75 0.87 0.00 0.00 67 V 8.39 4.63 1.57 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 0.76 0.00 0.00 0.27 0.00 0.00 68 L 9.03 4.81 0.00 1.48 1.48 0.74 -0.04 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 69 T 8.83 4.24 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 1.06 0.00 0.00 70 Y 8.89 4.39 0.00 3.23 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 71 G 7.95 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 0.00 0.00 0.00 72 I 7.75 4.68 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.41 0.73 0.00 0.00 73 G 8.48 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 0.00 0.00 0.00 74 R 8.52 4.00 0.00 1.92 1.94 0.00 3.19 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 75 R 8.15 3.87 0.00 1.84 1.82 0.00 2.82 0.00 0.00 2.43 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 76 A 7.89 3.91 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 77 I 7.72 3.78 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.95 0.00 0.00 78 E 8.50 3.96 0.00 1.87 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 2.29 2.49 0.00 79 Y 7.94 4.55 0.00 2.79 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 80 F 8.38 4.21 0.00 3.30 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 81 N 8.30 4.61 0.00 2.96 2.93 0.00 0.00 6.55 6.87 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 82 S 8.22 4.29 0.00 4.07 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 83 L 7.77 4.45 0.00 1.93 1.77 0.91 0.95 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 84 G 8.48 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 85 I 8.27 4.90 2.25 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.24 0.83 0.00 0.00 86 S 8.53 4.99 0.00 3.88 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 87 V 8.19 4.71 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 0.60 0.00 0.00 0.57 0.00 0.00 88 V 8.90 4.52 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 1.01 0.00 0.00 0.98 0.00 0.00 89 T 8.50 4.43 3.39 0.00 0.00 0.00 0.00 0.00 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 90 G 7.51 3.64 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 0.00 0.00 0.00 91 V 7.55 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 0.75 0.00 0.00 0.96 0.00 0.00 92 Y 7.68 4.79 0.00 2.93 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 93 G 8.60 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 0.00 0.00 0.00 94 R 8.50 4.40 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 95 I 8.78 3.67 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.86 0.00 0.00 96 S 7.93 4.10 0.00 4.06 4.20 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 97 D 8.00 4.31 0.00 2.88 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 98 V 7.75 3.55 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 1.04 0.00 0.00 0.89 0.00 0.00 99 I 7.89 3.72 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.99 0.94 0.00 0.00 100 K 7.94 4.12 0.00 1.94 2.08 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 101 A 7.92 4.16 1.46 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 0.00 0.00 102 F 8.68 4.23 0.00 3.15 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 0.00 103 I 7.81 3.76 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 1.00 0.00 0.00 104 G 8.55 3.64 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 0.00 0.00 0.00 105 G 7.46 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.58 4.07 0.00 1.74 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.72 7.81 107 L 7.67 4.08 0.00 1.66 1.59 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.32 4.30 0.00 1.26 1.50 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.30 7.81 109 I 8.07 4.74 1.48 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 1.01 0.00 0.00 110 D 9.74 4.69 0.00 2.90 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 0.00 111 Y 8.62 4.21 0.00 3.07 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 0.00 112 D 7.48 4.84 0.00 2.59 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 0.00 113 W 7.25 4.57 0.00 2.85 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 0.00 114 K 6.52 3.01 0.00 1.16 1.33 0.00 1.36 0.00 0.00 1.23 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.75 0.21 7.81 * Residues marked with a * may have inaccurate shift predictions.