NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7385 8.0393 120.2794 61.3686 32.5340 175.0682 2 E 4.1495 7.8854 119.1303 53.6917 30.9344 173.7790 3 W 4.6816 8.3750 124.7979 56.6383 31.0485 178.3598 4 T 4.5008 9.2961 113.3731 60.8269 70.9834 175.8629 5 D 4.3836 8.6102 121.8653 57.6566 40.8579 179.0063 6 K 3.9418 8.1247 119.4033 59.5775 32.1047 178.4240 7 E 4.0317 8.3800 118.7211 59.5357 29.4103 179.2871 8 R 3.6601 8.1290 118.1098 59.3293 30.0811 178.9292 9 S 4.0345 8.4186 112.9534 61.4600 62.3352 176.1988 10 I 3.6855 8.0638 122.7177 64.5870 36.8588 178.4234 11 I 3.7734 7.8525 120.6001 64.5527 36.8018 178.4826 12 S 4.0532 8.2340 114.0486 61.1781 62.0659 175.6028 13 D 4.2179 8.2830 120.8698 57.4297 40.7859 178.0030 14 I 3.5713 7.9981 120.4982 64.7750 36.9667 178.4844 15 F 3.9580 8.2663 116.9569 59.9391 38.7621 177.6989 16 S 4.3158 8.1035 113.9320 61.1984 62.8648 175.3397 17 H 4.8901 7.4967 116.3033 54.3147 28.9707 174.7191 18 M 3.5765 6.9904 121.6726 55.7351 32.0259 176.2695 19 D 4.6306 8.3159 126.5184 53.7143 41.0610 175.7386 20 Y 3.9804 8.5440 125.4619 60.6988 37.9493 177.2810 21 D 4.5645 8.2742 118.1112 56.0969 41.3829 177.1769 22 D 4.5972 7.5877 117.3544 56.5707 41.8239 178.3794 23 I 3.8980 7.9506 120.6948 64.0666 37.0372 178.3832 24 G 3.7274 8.1110 106.6645 47.6394 0.0000 173.8344 25 P 4.2760 0.0000 0.0000 64.7424 31.3449 178.9187 26 K 3.8935 7.6798 115.7283 59.4529 31.9660 179.2972 27 A 3.9621 8.2304 121.2663 55.1259 18.2428 179.5023 28 L 3.9155 7.9373 118.9086 58.1397 42.1378 179.2434 29 S 4.0299 8.3041 115.5306 61.5875 62.8164 176.5968 30 R 3.8031 8.2163 121.6241 59.4901 29.7050 177.9912 31 C 4.1217 8.2351 118.4830 62.6787 31.6510 175.6525 32 L 3.9093 8.2505 120.6288 57.3741 40.8493 179.2739 33 I 3.8706 7.2826 118.7963 63.4291 37.6424 177.8726 34 V 3.5560 7.9469 118.2404 64.1662 32.9206 175.7200 35 Y 3.8486 7.5821 115.6104 54.5637 38.1389 174.4277 36 P 5.1536 0.0000 0.0000 64.5818 31.8129 178.2474 37 W 4.4055 7.8742 116.2900 58.9506 27.9217 177.5146 38 T 4.1755 7.8494 110.8639 63.5972 68.3395 175.7272 39 Q 4.2934 8.0768 120.9723 57.2470 28.4881 177.4841 40 R 3.7570 7.4744 120.4119 59.5307 30.0476 176.7949 41 H 4.3303 6.9221 111.7462 56.2105 29.1636 175.5282 42 F 4.6954 7.4992 119.6185 56.6910 39.3777 177.8226 43 S 4.1799 8.4770 117.8573 61.1084 62.8609 174.9016 44 G 4.1168 8.2818 107.9513 45.6924 0.0000 173.9522 45 F 4.3437 8.6538 117.7815 57.1993 40.0634 177.3804 46 G 3.9594 8.1112 106.8103 44.5747 0.0000 172.9003 47 N 4.5781 8.5760 120.2381 53.4967 38.7624 174.7110 48 L 4.7037 8.3049 121.5515 54.3480 43.4764 178.0468 49 Y 3.9561 7.3825 119.3776 59.5114 38.2921 175.5851 50 N 4.9381 7.4734 116.9046 50.2428 41.7757 174.8220 51 A 3.9451 8.6814 122.0993 55.8527 18.2220 179.7927 52 E 3.8720 8.2067 115.9348 59.3104 29.3704 179.2801 53 A 3.7933 8.2418 120.6014 54.9581 18.6155 179.4807 54 I 3.7220 7.6062 118.2563 64.7102 37.0080 178.8646 55 I 3.8655 7.8766 119.5704 63.6787 36.9338 177.7366 56 G 4.1022 7.6437 104.0664 43.7739 0.0000 173.4892 57 N 4.6097 7.8226 120.6422 52.2684 39.6113 175.3845 58 A 4.0661 8.5053 130.9912 55.0966 18.5587 178.7265 59 N 4.1898 8.1942 115.0149 56.3109 38.6481 177.6015 60 V 3.7113 8.6373 119.9731 65.6910 31.5714 177.6602 61 A 3.9371 8.0851 120.4271 55.4223 18.2433 179.4220 62 A 3.9817 8.0156 118.7628 55.6642 18.4048 179.3769 63 H 4.3529 8.5920 116.8920 59.1773 29.9157 177.7507 64 G 3.6320 8.6214 108.1669 47.8737 0.0000 175.7176 65 I 3.8314 7.8688 122.4178 63.8364 37.1091 178.3823 66 K 3.9469 8.1256 120.4641 59.6221 31.8665 178.8230 67 V 3.6564 7.7028 117.1209 65.9979 31.6336 177.4068 68 L 4.2798 8.2099 119.8925 58.7221 42.0798 178.7282 69 H 4.7195 8.3992 117.6242 57.8757 28.3309 177.7663 70 G 3.8746 8.1358 106.8596 47.1739 0.0000 175.0643 71 L 4.7075 8.2821 122.0350 56.0428 41.2972 178.7045 72 D 4.3147 8.1727 120.0950 57.4188 40.6062 178.7971 73 R 4.0107 8.1168 114.7328 59.2753 29.4565 178.5960 74 G 3.9751 8.2849 106.5518 47.5896 0.0000 175.9836 75 V 3.4060 7.7296 119.3082 65.4264 31.6044 177.2393 76 K 4.3319 7.6519 115.1114 56.6079 32.8838 177.2872 77 N 5.0518 8.1206 118.1589 52.2038 39.7907 176.1439 78 M 4.2539 8.1399 117.8830 57.6533 32.5104 177.4498 79 D 5.0971 8.1379 116.3182 54.1903 42.0387 175.5915 80 N 5.1561 8.3164 118.7985 52.8148 40.1738 176.7013 81 I 3.8949 8.3256 119.0192 64.0663 37.1235 177.3587 82 A 4.0689 8.1033 119.6823 55.3138 18.4941 179.0827 83 A 4.1367 7.9980 118.6662 55.4852 18.4022 179.7447 84 T 3.7854 7.9057 113.4782 66.2416 68.6185 175.2855 85 Y 4.3776 7.8089 115.7719 57.5249 38.2528 177.1332 86 A 4.0592 7.8091 123.8892 55.5880 18.4041 179.7191 87 D 4.2869 8.0447 116.6858 57.3848 40.8789 178.5460 88 L 4.0141 7.9478 120.4258 58.0726 42.0360 178.7664 89 S 4.2979 8.4717 113.3331 61.9898 62.4093 176.2990 90 T 3.7394 8.1913 118.5920 66.3173 68.1152 176.3085 91 L 3.8815 8.1425 122.5072 58.7164 42.1783 178.9199 92 H 4.2342 8.5997 116.2915 58.6299 28.3404 177.9468 93 S 3.4878 8.0802 115.3215 61.2132 61.9706 175.8976 94 E 3.8857 8.1825 119.7414 57.7855 29.5257 177.5573 95 K 4.3052 7.8490 116.7030 56.6917 33.8432 177.1187 96 L 4.3202 7.6963 116.4181 54.2510 42.6870 176.0063 97 H 4.2151 7.2973 113.8469 56.5551 26.7038 174.8717 98 V 3.5914 7.8767 119.1713 61.9277 32.0463 174.8828 99 D 4.2538 8.7085 127.1360 53.6591 41.4794 174.9544 100 P 3.2580 0.0000 0.0000 65.0647 31.0423 177.6665 101 D 4.2997 8.4811 118.4153 57.0154 40.9469 177.7000 102 N 4.3468 8.2300 117.7448 56.1047 38.3294 177.0041 103 F 4.4194 7.2925 118.9735 60.6986 39.0018 177.5862 104 K 3.9482 7.9579 118.7171 59.3900 32.0773 178.9695 105 L 3.7532 7.6016 118.8738 57.5000 41.5332 178.9036 106 L 4.0288 8.1393 120.4509 58.3025 41.9453 178.9971 107 S 4.1754 8.3867 115.3136 62.0410 62.7608 176.6295 108 D 4.4505 8.2690 121.2842 57.4301 40.5229 178.7374 109 C 4.1904 8.0532 116.9389 62.7916 28.1768 175.9050 110 I 3.7017 8.1056 121.7466 64.9443 36.7424 178.4254 111 T 4.0618 8.3474 116.5237 67.0413 68.4425 176.7577 112 I 3.7203 7.9941 121.6491 64.0387 37.0872 178.7508 113 V 3.4807 8.2979 119.6856 65.8381 31.3561 177.8739 114 L 3.6079 8.1387 120.2981 57.8154 41.7708 178.6785 115 A 3.2799 7.4600 120.5604 54.7256 17.9959 179.4212 116 A 3.8321 7.4151 117.9429 55.1567 18.5591 179.4787 117 K 3.9291 7.6578 116.6767 59.9831 32.6924 178.6203 118 M 4.1597 8.4758 119.0513 55.5756 32.3191 177.7061 119 G 3.7871 8.5802 107.9105 46.3310 0.0000 176.3374 120 H 4.1067 9.2210 122.2665 58.9608 29.6076 176.0097 121 A 4.0756 7.7950 120.8300 54.2066 18.6777 177.9608 122 F 4.5179 7.9486 120.4019 57.1856 37.6940 175.0604 123 T 4.1165 7.3622 115.9064 60.6910 71.2353 175.0985 124 A 3.8639 8.3624 122.5306 55.3653 18.2860 179.4843 125 E 3.8412 8.0046 117.2303 59.5696 29.6984 178.9898 126 T 3.7879 7.6617 115.7200 66.6124 68.4315 176.3474 127 Q 3.7221 7.8078 121.9135 58.8062 28.9835 178.5310 128 G 3.6333 8.2185 106.7389 47.8725 0.0000 175.5504 129 A 4.2143 8.1720 123.9225 54.6332 18.4252 179.4922 130 F 4.3452 8.6991 119.5389 61.8390 39.5422 177.4783 131 Q 4.0519 8.8022 118.0848 58.5696 28.3889 178.6707 132 K 3.9512 8.3340 120.9291 59.4283 32.3017 178.5231 133 F 4.5567 8.6082 120.8906 61.6314 39.2491 177.1087 134 L 3.6406 8.0823 118.3000 57.5960 41.3572 179.4051 135 A 3.8993 8.6337 121.1463 55.0533 18.3272 179.8974 136 V 3.4991 7.8466 117.0058 65.8055 31.4797 178.5274 137 V 3.0214 7.4135 118.1677 65.7368 31.2823 178.2453 138 V 3.2753 7.7346 118.2783 65.6780 31.0557 177.7188 139 S 3.9992 7.9653 112.7598 61.5848 61.9970 176.2240 140 A 3.9972 7.4183 121.2246 55.1023 18.1393 179.3423 141 L 4.0799 7.8508 117.1794 57.1029 41.9580 178.8874 142 G 3.9663 7.9355 103.8635 44.8437 0.0000 175.4234 143 K 4.0963 7.6248 122.0548 58.8379 32.3800 177.1618 144 Q 4.4624 8.3705 117.0801 55.9108 29.2085 175.5090 145 Y 4.2058 7.5267 116.8402 57.2637 37.7736 175.9233 146 H 4.6269 8.4837 121.2813 55.8190 29.2080 174.7317 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 V 8.04 3.74 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 0.67 0.00 0.00 -0.43 0.00 0.00 2 E 7.89 4.15 0.00 2.07 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 2.09 2.37 0.00 3 W 8.37 4.68 0.00 3.35 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 4 T 9.30 4.50 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 5 D 8.61 4.38 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 6 K 8.12 3.94 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.77 7.81 7 E 8.38 4.03 0.00 2.51 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 0.00 2.53 2.49 0.00 8 R 8.13 3.66 0.00 2.00 1.90 0.00 3.15 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.00 9 S 8.42 4.03 0.00 3.84 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 10 I 8.06 3.69 2.00 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 1.52 0.64 0.95 0.00 0.00 11 I 7.85 3.77 1.70 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 1.50 0.45 0.32 0.00 0.00 12 S 8.23 4.05 0.00 3.80 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 13 D 8.28 4.22 0.00 2.91 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 14 I 8.00 3.57 1.95 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 1.40 0.67 0.32 0.00 0.00 15 F 8.27 3.96 0.00 3.10 3.15 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 16 S 8.10 4.32 0.00 3.95 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 17 H 7.50 4.89 0.00 3.05 3.30 0.00 5.67 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 18 M 6.99 3.58 0.00 1.29 1.51 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.99 0.00 19 D 8.32 4.63 0.00 2.72 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 20 Y 8.54 3.98 0.00 3.05 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 21 D 8.27 4.56 0.00 2.69 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 22 D 7.59 4.60 0.00 2.83 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 23 I 7.95 3.90 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.80 0.00 0.00 24 G 8.11 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 25 P 0.00 4.28 0.00 2.16 2.11 0.00 3.72 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 2.29 2.40 0.00 26 K 7.68 3.89 0.00 1.97 1.81 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.54 7.81 27 A 8.23 3.96 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 28 L 7.94 3.92 0.00 1.79 1.63 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.30 4.03 0.00 3.91 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 30 R 8.22 3.80 0.00 1.92 2.09 0.00 3.07 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 31 C 8.24 4.12 0.00 3.18 3.09 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 32 L 8.25 3.91 0.00 1.78 1.65 0.70 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.28 3.87 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.83 0.00 0.00 34 V 7.95 3.56 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 -0.23 0.00 0.00 0.76 0.00 0.00 35 Y 7.58 3.85 0.00 2.62 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 36 P 0.00 5.15 0.00 2.31 2.30 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.87 0.00 37 W 7.87 4.41 0.00 3.58 3.54 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 38 T 7.85 4.18 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 1.00 0.00 0.00 39 Q 8.08 4.29 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 40 R 7.47 3.76 0.00 1.81 1.66 0.00 3.21 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 41 H 6.92 4.33 0.00 1.86 2.72 0.00 5.65 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 42 F 7.50 4.70 0.00 2.82 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 0.00 0.00 0.00 43 S 8.48 4.18 0.00 4.03 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 44 G 8.28 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 45 F 8.65 4.34 0.00 3.29 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 46 G 8.11 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 47 N 8.58 4.58 0.00 2.74 2.54 0.00 0.00 6.51 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 48 L 8.30 4.70 0.00 1.65 1.55 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.38 3.96 0.00 3.02 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 50 N 7.47 4.94 0.00 3.01 3.12 0.00 0.00 6.65 7.09 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 51 A 8.68 3.95 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 52 E 8.21 3.87 0.00 2.12 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 2.41 2.36 0.00 53 A 8.24 3.79 0.58 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 0.00 0.00 54 I 7.61 3.72 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.84 0.00 0.00 55 I 7.88 3.87 1.89 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 1.42 0.53 0.88 0.00 0.00 56 G 7.64 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 0.00 0.00 0.00 57 N 7.82 4.61 0.00 2.93 2.81 0.00 0.00 7.07 7.32 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 58 A 8.51 4.07 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 59 N 8.19 4.19 0.00 2.76 2.14 0.00 0.00 6.81 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 60 V 8.64 3.71 2.20 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 0.83 0.00 0.00 0.94 0.00 0.00 61 A 8.09 3.94 1.41 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 62 A 8.02 3.98 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 63 H 8.59 4.35 0.00 3.75 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.62 3.63 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 0.00 65 I 7.87 3.83 2.06 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 1.68 0.71 1.04 0.00 0.00 66 K 8.13 3.95 0.00 1.96 1.94 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.50 7.81 67 V 7.70 3.66 2.27 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 0.94 0.00 0.00 1.05 0.00 0.00 68 L 8.21 4.28 0.00 2.08 2.02 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.40 4.72 0.00 3.44 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.14 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 71 L 8.28 4.71 0.00 2.07 2.08 1.34 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.17 4.31 0.00 2.85 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 73 R 8.12 4.01 0.00 1.76 1.95 0.00 2.21 0.00 0.00 2.75 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.00 74 G 8.28 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 75 V 7.73 3.41 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 0.61 0.00 0.00 -0.30 0.00 0.00 76 K 7.65 4.33 0.00 1.76 1.79 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.42 7.81 77 N 8.12 5.05 0.00 2.86 2.75 0.00 0.00 6.99 7.20 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 78 M 8.14 4.25 0.00 1.41 2.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.61 0.00 79 D 8.14 5.10 0.00 2.73 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 80 N 8.32 5.16 0.00 2.77 2.72 0.00 0.00 7.16 8.10 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 81 I 8.33 3.89 2.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.25 0.97 0.00 0.00 82 A 8.10 4.07 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 83 A 8.00 4.14 1.40 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 0.00 0.00 84 T 7.91 3.79 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 0.86 0.00 0.00 85 Y 7.81 4.38 0.00 3.02 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 86 A 7.81 4.06 1.38 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 87 D 8.04 4.29 0.00 2.77 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 88 L 7.95 4.01 0.00 1.86 1.90 1.02 1.01 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 89 S 8.47 4.30 0.00 4.20 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 90 T 8.19 3.74 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 91 L 8.14 3.88 0.00 1.81 1.88 0.91 1.27 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 92 H 8.60 4.23 0.00 3.67 3.80 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.08 3.49 0.00 2.72 3.15 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 94 E 8.18 3.89 0.00 2.00 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 2.27 2.23 0.00 95 K 7.85 4.31 0.00 1.78 1.79 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 96 L 7.70 4.32 0.00 1.74 1.64 0.77 1.05 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 97 H 7.30 4.22 0.00 3.42 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.88 3.59 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 0.38 0.00 0.00 0.63 0.00 0.00 99 D 8.71 4.25 0.00 2.69 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 0.00 100 P 0.00 3.26 0.00 2.01 1.74 0.00 3.44 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.96 0.00 101 D 8.48 4.30 0.00 2.70 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 0.00 102 N 8.23 4.35 0.00 2.60 2.79 0.00 0.00 6.83 8.05 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 0.00 103 F 7.29 4.42 0.00 3.11 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 0.00 104 K 7.96 3.95 0.00 1.80 1.97 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 105 L 7.60 3.75 0.00 1.68 1.01 0.86 -0.08 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 0.00 106 L 8.14 4.03 0.00 1.84 1.89 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.39 4.18 0.00 4.10 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 0.00 108 D 8.27 4.45 0.00 2.95 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 0.00 109 C 8.05 4.19 0.00 3.25 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 0.00 110 I 8.11 3.70 2.18 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 1.59 0.89 1.15 0.00 0.00 111 T 8.35 4.06 4.59 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 1.49 0.00 0.00 112 I 7.99 3.72 1.97 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 1.44 1.18 0.89 0.00 0.00 113 V 8.30 3.48 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 0.91 0.00 0.00 0.95 0.00 0.00 114 L 8.14 3.61 0.00 1.40 1.06 0.53 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.46 3.28 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 0.00 116 A 7.42 3.83 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 0.00 117 K 7.66 3.93 0.00 1.63 1.77 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 118 M 8.48 4.16 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 119 G 8.58 3.79 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 0.00 0.00 0.00 120 H 9.22 4.11 0.00 3.07 3.37 0.00 5.93 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 0.00 121 A 7.80 4.08 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 0.00 122 F 7.95 4.52 0.00 2.83 3.07 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 0.00 123 T 7.36 4.12 4.18 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 1.21 0.00 0.00 124 A 8.36 3.86 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 0.00 125 E 8.00 3.84 0.00 2.03 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 2.36 2.40 0.00 126 T 7.66 3.79 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 1.15 0.00 0.00 127 Q 7.81 3.72 0.00 1.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 128 G 8.22 3.63 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 0.00 129 A 8.17 4.21 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 0.00 0.00 130 F 8.70 4.35 0.00 3.34 3.28 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 0.00 131 Q 8.80 4.05 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 132 K 8.33 3.95 0.00 1.96 2.28 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.63 1.38 7.81 133 F 8.61 4.56 0.00 3.22 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 0.00 134 L 8.08 3.64 0.00 1.72 1.56 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.63 3.90 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 0.00 136 V 7.85 3.50 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 0.99 0.00 0.00 0.89 0.00 0.00 137 V 7.41 3.02 1.67 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 0.25 0.00 0.00 0.02 0.00 0.00 138 V 7.73 3.28 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 0.95 0.00 0.00 0.88 0.00 0.00 139 S 7.97 4.00 0.00 3.99 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 0.00 140 A 7.42 4.00 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 0.00 141 L 7.85 4.08 0.00 1.17 0.80 0.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.94 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 0.00 0.00 0.00 143 K 7.62 4.10 0.00 2.01 1.91 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.52 7.81 144 Q 8.37 4.46 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 145 Y 7.53 4.21 0.00 3.12 2.94 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 0.00 146 H 8.48 4.63 0.00 3.10 3.18 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00