NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7886 8.0544 120.2780 61.2698 32.6271 174.2449 2 V 3.9274 7.6338 120.8429 60.3058 33.6135 173.2634 3 W 5.0205 8.3828 127.9051 55.7776 31.2995 176.6438 4 T 4.3892 9.1823 114.6033 61.2291 70.6202 175.6042 5 D 4.4114 8.6344 120.8330 57.4368 40.7472 178.7975 6 F 4.1335 8.3057 120.7162 61.2255 39.4541 176.8599 7 E 3.9527 8.2545 118.0681 59.5313 29.3604 179.0634 8 R 3.4605 8.1079 118.3988 59.4538 29.9671 178.1225 9 A 4.0583 7.9601 119.8357 54.5290 18.7941 179.5624 10 T 3.5073 7.7180 114.8303 66.7929 68.3748 176.6396 11 I 3.6590 7.5952 121.2313 64.3663 37.0856 178.3979 12 A 3.9091 7.5549 121.0925 55.1053 17.9778 179.0714 13 D 4.3142 7.9438 117.0089 56.9243 41.6726 178.2375 14 I 3.7558 8.1207 120.5734 64.6140 37.1266 178.5702 15 F 4.1761 8.2363 118.4626 60.2734 38.7210 177.8217 16 S 4.2791 8.3992 113.7413 60.3615 62.5597 175.5524 17 K 4.4430 7.6070 119.8471 55.2806 32.7994 175.8487 18 L 4.4830 7.1608 120.1482 53.0812 43.3691 176.4295 19 D 4.5448 8.4556 122.3733 53.5620 41.5882 176.4320 20 Y 4.3874 8.5015 126.3413 61.1641 37.9811 178.3508 21 E 4.0405 8.6074 120.7991 58.6448 30.0510 178.4616 22 A 3.9703 8.5282 121.0059 55.3436 18.4653 179.8583 23 V 3.6715 8.5673 117.2228 65.7141 31.6062 178.3217 24 G 3.7728 8.4881 106.1829 47.8430 0.0000 175.8175 25 G 3.5774 8.1289 108.5640 47.2373 0.0000 175.4044 26 A 3.9911 7.8324 123.4771 55.0894 18.2939 179.8086 27 T 3.7704 8.0123 114.0952 66.7062 68.5704 176.6867 28 L 3.9209 7.9269 121.8164 57.9836 42.1540 178.4042 29 A 3.8962 7.8127 120.8364 55.4418 18.1857 179.4695 30 R 3.7464 8.2544 117.2325 59.7879 30.0907 178.3006 31 C 4.1775 8.0531 118.3586 62.5423 31.5695 175.5693 32 L 3.9672 8.0331 120.4602 57.2691 40.8687 179.6134 33 I 3.6590 7.4629 119.3632 64.2612 37.3655 178.1961 34 V 3.5449 7.6497 117.8153 64.2306 32.8323 175.6442 35 Y 3.8422 7.2951 115.7106 54.3590 37.9942 174.1618 36 P 4.6370 0.0000 0.0000 64.1042 31.3884 177.7646 37 W 4.4143 7.8240 115.2942 58.9921 27.8330 177.6956 38 T 4.4326 7.6224 110.5711 63.9902 68.3132 176.5222 39 Q 4.2852 8.0693 122.1788 58.9719 28.4678 178.4808 40 R 3.9311 7.4832 115.3786 59.6571 29.2917 178.3074 41 Y 4.1333 7.2954 114.6519 59.3087 38.4957 176.2413 42 F 5.1252 8.4136 120.1323 56.6344 39.5570 177.6956 43 G 3.7434 8.4052 111.2411 48.1238 0.0000 173.9598 44 N 5.0033 8.2106 116.0637 52.9770 37.9038 174.9433 45 F 4.5046 8.1182 115.6565 58.2907 39.7819 177.4817 46 G 3.7884 8.1805 110.6751 44.4139 0.0000 172.5386 47 N 4.5751 8.6029 117.7970 53.7299 39.1458 175.6187 48 L 4.9435 8.2569 127.5584 54.6522 43.0429 177.4032 49 Y 4.1471 8.4865 122.1023 60.5225 39.2057 175.1062 50 N 4.6154 7.9231 114.9212 50.9875 43.1231 174.3631 51 A 3.9311 8.5749 124.9230 55.6941 17.9458 180.0154 52 A 4.0164 8.1002 117.6599 54.7468 18.2175 179.5938 53 A 4.0525 7.7775 118.7049 55.3865 18.7682 179.5545 54 I 3.8036 8.0168 118.5258 64.7968 36.9008 178.6179 55 M 4.2449 8.0689 118.8773 57.1087 31.7668 177.4423 56 G 3.9682 7.2788 104.4791 45.0182 0.0000 173.0667 57 N 4.5543 7.8940 120.1374 52.1383 39.6148 173.9017 58 P 4.3271 0.0000 0.0000 66.3209 31.3414 178.3770 59 M 4.2305 8.6093 118.7123 58.2690 31.8882 178.7699 60 I 3.6536 8.0678 119.4534 63.9948 37.2117 178.1020 61 A 4.0115 7.9043 121.3384 54.9912 18.3475 179.7921 62 K 3.9526 8.1604 116.9268 60.1246 32.1848 179.2099 63 H 4.3496 8.7924 118.8173 58.9964 29.7586 177.4109 64 G 3.6162 8.2330 107.8375 48.0223 0.0000 175.8326 65 T 3.9678 7.7740 118.0082 66.7040 68.5116 176.7921 66 T 3.9565 7.7767 117.1870 66.7270 68.4070 176.4196 67 I 3.6679 7.7843 121.5489 64.6036 37.1414 178.2479 68 L 3.8872 7.7909 119.3769 58.4584 41.5724 179.5673 69 H 4.3184 8.5823 115.9168 58.4413 28.4639 178.1788 70 G 3.6071 8.1457 108.0409 47.5704 0.0000 175.8688 71 L 4.2635 8.2137 123.0313 57.2538 41.7404 178.8455 72 D 4.0507 8.1579 118.0663 57.4869 40.7573 178.3992 73 R 3.9247 7.8198 117.7527 59.4467 30.3450 178.0972 74 A 4.0286 7.6785 120.0872 55.0737 18.1580 179.6001 75 V 3.1972 7.3910 115.7925 65.8800 31.4980 177.6875 76 K 4.2618 7.7160 115.6025 57.0645 33.0825 176.5324 77 N 5.1194 8.1630 117.6977 52.3817 39.5786 176.1982 78 M 4.0911 8.2047 118.6095 58.0860 32.5091 177.6716 79 D 5.0735 8.0661 115.7418 54.0437 41.5594 176.2455 80 N 5.0424 8.1803 119.1552 51.7256 39.6188 177.0034 81 I 3.5600 8.1568 119.7869 63.8101 37.1574 177.1156 82 K 3.7581 8.0503 118.6805 59.8133 32.2042 178.0447 83 A 4.1524 7.9161 120.1032 55.5011 18.1925 179.4817 84 T 3.9542 7.8515 113.2780 66.4661 68.6248 175.3875 85 Y 4.6202 7.9901 116.2854 57.8121 37.9695 177.2279 86 A 4.0327 7.8653 124.6616 55.4347 18.4872 180.1937 87 E 3.9269 8.1049 116.5337 59.4417 29.5521 179.3654 88 L 3.9293 7.7737 118.6197 57.6633 41.6867 179.1406 89 S 4.8061 8.3402 114.8545 60.8807 62.2213 176.5483 90 V 3.5023 7.5206 120.5866 65.8612 31.3180 177.2807 91 L 3.8683 7.7532 120.0167 59.0267 41.8881 178.9279 92 H 4.4105 8.6281 115.7337 58.0726 28.7155 176.9686 93 S 4.3762 8.0292 114.3767 60.3250 62.7193 176.0030 94 E 3.8725 8.3646 120.8695 58.9175 29.6618 178.4775 95 K 4.1125 7.8958 118.2347 58.6976 32.6790 177.5673 96 L 4.1946 8.2870 116.9129 55.2828 42.1854 176.5033 97 H 4.5420 7.9497 113.6664 55.5261 26.0939 175.4715 98 V 3.1205 8.1977 118.9715 61.9362 31.9423 175.0038 99 D 4.3706 8.3141 128.2688 53.6153 41.1547 175.3519 100 P 4.2773 0.0000 0.0000 66.0046 31.0762 178.2587 101 D 4.4573 8.1310 118.4621 57.0377 40.5469 178.2315 102 N 4.3586 8.0276 117.4305 56.0519 38.3811 177.2334 103 F 4.4086 7.2791 118.4631 60.6130 38.9162 177.8752 104 K 4.0579 8.0869 117.6090 59.2624 31.9896 179.1410 105 L 3.8140 7.8018 119.3177 57.7333 41.5003 179.4231 106 L 4.0087 8.1758 120.2257 58.2571 42.0850 178.8608 107 S 4.1940 8.2775 115.1968 62.0589 62.8328 176.6326 108 D 4.4937 8.6082 121.6346 57.5558 40.4819 178.6380 109 C 4.1719 8.2297 117.2546 62.6437 28.1640 175.8213 110 L 4.0314 8.0530 123.1957 57.9709 41.6426 178.9977 111 T 4.0556 8.1444 115.5255 67.0581 68.4771 176.6602 112 I 3.5169 7.7919 121.4874 64.1636 36.9370 178.7043 113 V 3.4995 7.9689 119.4109 65.8852 31.2683 178.3343 114 V 3.2553 8.0799 118.1474 65.6582 31.3022 177.7151 115 A 3.1755 7.8491 120.9092 55.0366 17.9445 179.5705 116 A 3.9215 7.5828 117.8594 54.8547 18.4229 179.4840 117 Q 3.9630 7.4037 117.6841 59.3190 29.0828 177.8228 118 L 4.1700 8.1633 119.6207 55.6310 42.1586 178.2522 119 G 3.9638 8.5877 108.3614 45.9752 0.0000 176.5860 120 K 3.8544 8.9488 120.7295 59.1623 32.1877 177.9638 121 A 4.1295 7.5618 120.1916 54.7986 18.6245 178.1841 122 F 4.3851 8.2155 119.9206 57.4937 37.5633 175.1089 123 S 4.6586 7.6127 121.2315 56.6910 66.3485 175.0636 124 G 3.5146 8.4072 107.1604 48.1713 0.0000 175.6405 125 E 4.0154 8.0791 120.6316 58.8768 29.4859 179.5467 126 V 3.6002 7.6326 118.5663 66.1186 31.6313 177.8555 127 Q 3.5979 8.2367 119.4657 58.8294 28.7104 178.1390 128 A 4.0352 8.3356 121.9186 55.2767 18.4890 179.4888 129 A 4.1816 8.0570 118.7448 55.3840 18.3833 179.6629 130 F 4.3834 8.6111 119.3437 61.5265 39.5149 177.2363 131 Q 3.9818 8.8252 119.8242 58.8816 28.8659 177.8697 132 K 3.9572 8.3810 120.8114 59.5063 32.2815 178.5111 133 F 4.5402 8.5342 120.7855 61.5839 39.3958 177.0995 134 L 3.5956 8.1107 118.8361 57.6753 41.3377 179.6136 135 S 4.0934 8.5916 115.4833 61.6486 62.7509 177.0351 136 V 3.4978 7.6970 120.8243 65.7768 31.3810 178.2905 137 V 3.1556 7.3877 117.9484 65.7990 31.4207 178.1638 138 V 3.2802 7.9412 118.3380 65.9863 31.1585 177.7412 139 S 4.0366 7.8154 111.3131 61.5244 62.2534 175.8563 140 A 4.0902 7.8855 122.1053 54.6114 18.3486 179.0417 141 L 4.1282 7.6182 117.4204 55.9736 41.6821 177.5953 142 G 4.0526 7.0653 106.9181 44.3371 0.0000 172.9950 143 K 3.6694 8.4315 120.6077 56.5359 32.3874 175.9867 144 Q 4.2969 8.2469 125.2083 55.0416 28.8379 175.0914 145 Y 4.3888 8.3060 120.5153 58.4759 38.8631 175.7109 146 H 4.6008 7.9124 121.6573 55.8525 29.4313 173.4644 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 8.05 3.79 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.10 0.00 0.00 2 V 7.63 3.93 1.97 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 0.81 0.00 0.00 0.84 0.00 0.00 3 W 8.38 5.02 0.00 3.37 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 4 T 9.18 4.39 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 1.30 0.00 0.00 5 D 8.63 4.41 0.00 2.83 2.82 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 6 F 8.31 4.13 0.00 3.10 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 7 E 8.25 3.95 0.00 2.52 2.39 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 2.64 2.63 0.00 8 R 8.11 3.46 0.00 2.05 1.99 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 9 A 7.96 4.06 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 10 T 7.72 3.51 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 11 I 7.60 3.66 1.58 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.14 0.00 0.00 12 A 7.55 3.91 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 13 D 7.94 4.31 0.00 2.63 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 14 I 8.12 3.76 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.37 0.00 0.00 15 F 8.24 4.18 0.00 3.03 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 16 S 8.40 4.28 0.00 4.05 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.61 4.44 0.00 1.92 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.52 7.81 18 L 7.16 4.48 0.00 1.90 1.68 0.47 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.46 4.54 0.00 2.70 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 20 Y 8.50 4.39 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 21 E 8.61 4.04 0.00 2.11 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 0.00 2.41 2.28 0.00 22 A 8.53 3.97 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 23 V 8.57 3.67 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 0.95 0.00 0.00 0.94 0.00 0.00 24 G 8.49 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 0.00 0.00 0.00 25 G 8.13 3.58 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 0.00 26 A 7.83 3.99 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 27 T 8.01 3.77 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 1.27 0.00 0.00 28 L 7.93 3.92 0.00 1.68 1.54 0.56 0.49 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 29 A 7.81 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 30 R 8.25 3.75 0.00 2.00 2.10 0.00 3.07 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 31 C 8.05 4.18 0.00 3.11 3.05 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 32 L 8.03 3.97 0.00 1.65 1.64 0.68 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.46 3.66 1.82 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 1.34 0.48 0.82 0.00 0.00 34 V 7.65 3.54 1.51 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 -0.03 0.00 0.00 0.73 0.00 0.00 35 Y 7.30 3.84 0.00 2.66 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 36 P 0.00 4.64 0.00 2.17 2.04 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 37 W 7.82 4.41 0.00 3.56 3.51 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 38 T 7.62 4.43 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 39 Q 8.07 4.29 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 40 R 7.48 3.93 0.00 1.86 2.00 0.00 2.64 0.00 0.00 2.71 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.00 41 Y 7.30 4.13 0.00 2.70 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 42 F 8.41 5.13 0.00 3.14 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 43 G 8.41 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 44 N 8.21 5.00 0.00 2.77 2.91 0.00 0.00 5.90 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.12 4.50 0.00 3.31 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 46 G 8.18 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 47 N 8.60 4.58 0.00 2.70 2.78 0.00 0.00 6.62 7.78 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 48 L 8.26 4.94 0.00 1.67 1.62 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.49 4.15 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.92 4.62 0.00 2.74 2.78 0.00 0.00 7.08 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.57 3.93 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 52 A 8.10 4.02 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 53 A 7.78 4.05 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 54 I 8.02 3.80 1.97 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 1.50 0.64 0.85 0.00 0.00 55 M 8.07 4.24 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 56 G 7.28 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 57 N 7.89 4.55 0.00 2.96 2.83 0.00 0.00 6.96 7.60 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 58 P 0.00 4.33 0.00 2.32 2.31 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 59 M 8.61 4.23 0.00 2.30 2.64 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 60 I 8.07 3.65 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.12 0.78 0.00 0.00 61 A 7.90 4.01 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 62 K 8.16 3.95 0.00 2.12 1.98 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 63 H 8.79 4.35 0.00 3.40 3.13 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 8.23 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.77 3.97 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 66 T 7.78 3.96 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 67 I 7.78 3.67 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.95 0.00 0.00 68 L 7.79 3.89 0.00 1.61 1.26 0.74 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.58 4.32 0.00 3.40 3.42 0.00 5.81 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 8.15 3.61 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 0.00 0.00 0.00 71 L 8.21 4.26 0.00 2.04 2.02 1.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.16 4.05 0.00 2.82 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 73 R 7.82 3.92 0.00 2.11 2.30 0.00 3.47 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 74 A 7.68 4.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.39 3.20 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 0.56 0.00 0.00 -0.39 0.00 0.00 76 K 7.72 4.26 0.00 1.99 1.83 0.00 1.53 0.00 0.00 1.96 0.00 0.00 3.14 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.46 1.50 7.81 77 N 8.16 5.12 0.00 2.76 2.71 0.00 0.00 6.88 7.27 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 78 M 8.20 4.09 0.00 1.61 2.01 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 79 D 8.07 5.07 0.00 2.72 2.74 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 80 N 8.18 5.04 0.00 2.76 2.69 0.00 0.00 7.22 7.52 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 81 I 8.16 3.56 1.79 0.00 0.00 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 1.39 0.85 0.38 0.00 0.00 82 K 8.05 3.76 0.00 1.71 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.52 7.81 83 A 7.92 4.15 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 7.85 3.95 4.41 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 1.35 0.00 0.00 85 Y 7.99 4.62 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.87 4.03 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 87 E 8.10 3.93 0.00 1.97 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 2.40 2.34 0.00 88 L 7.77 3.93 0.00 1.54 1.49 0.14 0.72 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 89 S 8.34 4.81 0.00 4.06 4.03 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 0.00 0.00 0.00 90 V 7.52 3.50 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 0.99 0.00 0.00 0.90 0.00 0.00 91 L 7.75 3.87 0.00 1.77 1.80 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.63 4.41 0.00 3.42 3.63 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.03 4.38 0.00 3.92 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 94 E 8.36 3.87 0.00 2.16 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 2.31 2.26 0.00 95 K 7.90 4.11 0.00 1.67 1.94 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.44 7.81 96 L 8.29 4.19 0.00 1.76 1.66 0.75 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.95 4.54 0.00 3.36 3.39 0.00 5.75 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.20 3.12 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 -0.32 0.00 0.00 0.52 0.00 0.00 99 D 8.31 4.37 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 4.28 0.00 2.41 2.51 0.00 3.75 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 2.12 2.16 0.00 101 D 8.13 4.46 0.00 2.82 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 0.00 102 N 8.03 4.36 0.00 2.42 2.70 0.00 0.00 6.85 7.82 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 0.00 103 F 7.28 4.41 0.00 3.24 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 0.00 104 K 8.09 4.06 0.00 1.98 1.88 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.60 7.81 105 L 7.80 3.81 0.00 1.71 1.23 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.18 4.01 0.00 1.82 1.76 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.28 4.19 0.00 4.17 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 0.00 108 D 8.61 4.49 0.00 2.92 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 0.00 109 C 8.23 4.17 0.00 3.25 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 0.00 110 L 8.05 4.03 0.00 1.84 1.97 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.14 4.06 4.57 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 1.57 0.00 0.00 112 I 7.79 3.52 1.88 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 1.43 0.81 0.89 0.00 0.00 113 V 7.97 3.50 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 0.93 0.00 0.00 0.98 0.00 0.00 114 V 8.08 3.26 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.70 0.00 0.00 115 A 7.85 3.18 1.12 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 0.00 116 A 7.58 3.92 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 Q 7.40 3.96 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 118 L 8.16 4.17 0.00 1.71 1.72 0.91 1.16 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 0.00 119 G 8.59 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 0.00 120 K 8.95 3.85 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 121 A 7.56 4.13 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 0.00 122 F 8.22 4.39 0.00 2.88 3.11 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 0.00 123 S 7.61 4.66 0.00 4.08 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 0.00 124 G 8.41 3.51 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 0.00 0.00 0.00 125 E 8.08 4.02 0.00 2.05 1.84 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 2.36 2.18 0.00 126 V 7.63 3.60 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 0.79 0.00 0.00 1.02 0.00 0.00 127 Q 8.24 3.60 0.00 1.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 128 A 8.34 4.04 1.51 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 0.00 0.00 129 A 8.06 4.18 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 8.61 4.38 0.00 3.25 3.38 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 0.00 131 Q 8.83 3.98 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 132 K 8.38 3.96 0.00 2.06 2.31 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.19 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.69 1.44 7.81 133 F 8.53 4.54 0.00 3.16 3.27 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 0.00 0.00 0.00 0.00 134 L 8.11 3.60 0.00 1.59 1.57 0.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.59 4.09 0.00 3.99 3.89 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 0.00 136 V 7.70 3.50 2.23 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 0.95 0.00 0.00 0.95 0.00 0.00 137 V 7.39 3.16 1.77 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 0.90 0.00 0.00 0.00 0.00 0.00 138 V 7.94 3.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.92 0.00 0.00 139 S 7.82 4.04 0.00 3.87 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 0.00 140 A 7.89 4.09 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 0.00 141 L 7.62 4.13 0.00 1.19 0.61 0.42 0.26 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 0.00 142 G 7.07 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 0.00 0.00 0.00 143 K 8.43 3.67 0.00 1.61 1.24 0.00 1.67 0.00 0.00 1.18 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.85 1.25 7.81 144 Q 8.25 4.30 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 145 Y 8.31 4.39 0.00 2.67 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 0.00 146 H 7.91 4.60 0.00 3.14 3.16 0.00 5.73 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