NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3694 8.2993 122.1459 54.6044 33.1812 175.5052 5 I 4.0188 8.3722 117.6258 59.4486 38.3491 173.3404 6 S 5.0463 8.1050 114.8768 58.9239 65.8822 175.2271 7 A 4.3816 8.7554 122.4124 52.4307 18.6137 177.1938 8 L 4.4725 7.6937 116.6003 53.0948 43.3382 176.3752 9 D 4.4925 8.5888 124.6440 53.6944 41.0620 177.8407 10 L 2.9578 8.0481 130.7834 54.7575 39.5341 171.8887 *13 G 3.7970 8.4997 106.7050 47.5180 0.0000 172.9507 14 E 4.2450 8.4630 116.9444 54.8986 30.5394 177.4544 15 L 4.1367 8.2832 120.0711 55.0380 42.4216 178.3600 16 S 4.3328 8.3163 117.1203 57.9886 65.0153 175.2001 17 E 3.9275 8.6970 122.7004 59.3556 29.2848 178.1206 18 P 4.2718 0.0000 0.0000 65.7620 31.3465 178.5047 19 T 3.7313 7.6384 109.8509 64.4348 68.7362 176.9038 20 K 3.8976 8.1240 121.2151 58.9318 32.0152 179.0045 21 A 4.0113 8.1747 121.1603 55.3905 18.3025 179.0297 22 Y 4.0901 8.0132 117.8428 61.0814 38.8829 178.2695 23 F 4.3747 8.9094 118.9505 60.4063 38.8828 177.2237 24 A 4.0246 8.3046 120.5292 55.3550 18.1003 179.6162 25 K 3.9402 7.9596 116.5510 60.0056 32.1434 179.1497 26 C 3.9016 8.1621 117.0721 62.9625 27.8190 176.0069 27 E 3.9594 8.1178 119.5990 59.0352 29.2596 178.3117 28 E 4.1524 8.3639 120.7578 59.8596 29.6184 179.9004 29 K 4.1469 7.9691 122.3579 58.9486 32.3092 179.3629 30 L 4.5978 7.8202 118.8841 53.1972 42.9738 177.0710 31 G 3.8501 8.3896 106.3710 45.8211 0.0000 173.0363 32 L 4.1573 7.1091 117.6203 54.9188 42.5062 174.0920 33 V 3.9097 7.9485 119.5585 60.2260 32.1665 173.8108 34 P 4.4313 0.0000 0.0000 63.2864 31.8437 177.1263 35 N 4.3907 9.7386 121.7537 56.3838 38.5367 177.8334 36 V 3.5081 8.2446 120.7412 64.7348 31.0393 178.5525 37 L 4.1330 7.9317 118.8843 57.5438 41.7244 179.1134 38 K 4.3195 8.0777 117.8125 59.3910 31.7689 179.0473 39 A 4.0441 7.8566 120.1914 55.4913 18.8041 179.0553 40 Y 3.8666 8.1034 113.5756 59.8082 37.7521 177.4375 41 A 4.2990 7.6769 120.7778 53.2283 18.6145 178.1680 42 F 4.2843 8.0481 111.9984 58.5652 38.4431 175.6796 43 D 4.3068 7.3012 121.4621 52.2742 43.5222 175.0058 44 D 4.2462 8.6341 128.5006 57.0297 40.9324 178.5327 45 K 3.8291 7.7255 117.8882 59.6184 32.0245 179.4242 46 K 4.0207 7.8541 117.8228 59.2583 32.0898 178.8078 47 L 3.8638 8.0626 120.9424 58.3258 41.8955 179.1072 48 R 3.7328 8.5776 118.4397 59.3725 30.0989 178.2859 49 A 3.9493 8.1083 120.6220 54.9812 18.3044 179.3214 50 F 4.0215 8.3693 119.4305 61.8967 39.4057 177.6169 51 T 3.6561 8.0746 115.3481 66.3307 68.2995 176.4407 52 D 4.3217 8.1732 121.0994 57.5722 40.8211 179.1556 53 I 3.5908 7.5129 119.8660 64.2737 36.9104 177.6855 54 Y 3.2241 7.3027 119.1184 60.5668 38.5891 177.8784 55 N 4.4419 7.8771 115.6077 56.2710 39.0098 176.4161 56 D 4.4767 7.6932 118.9179 57.4964 41.0671 178.1302 57 L 3.8657 7.3882 114.6649 56.1271 41.3247 177.8400 *59 L 4.2184 7.8295 119.2151 54.2772 43.5021 177.0600 60 G 3.7929 7.5405 107.2062 44.6499 0.0000 172.6036 61 E 4.0231 8.4188 120.3781 56.2056 30.0220 175.6723 62 S 4.5935 8.0729 118.1393 57.3837 65.0603 175.0467 63 G 4.0194 8.5532 112.8819 46.9853 0.0000 174.1763 64 L 4.4356 7.8068 120.7581 54.0861 42.2212 177.6268 65 S 4.4830 9.0119 118.4805 57.7295 65.2991 175.6944 66 K 3.9568 8.4668 120.9779 59.4720 31.4632 179.3915 67 L 3.9840 7.8045 119.5093 57.9216 42.1795 177.8690 68 D 4.5813 7.8242 118.2288 57.8172 41.0791 179.1688 69 R 4.1126 7.6827 117.7468 59.0152 30.1014 179.9494 70 E 4.1067 7.9641 116.9918 56.6742 29.5695 179.1830 *72 I 3.9221 7.8087 121.2885 61.3707 39.4582 178.0194 73 A 3.2348 7.7421 121.9777 54.8543 17.8866 179.9263 74 V 3.4433 7.6718 116.5108 65.7199 31.4677 178.0656 75 A 3.9436 7.7835 120.1247 55.2840 18.3914 179.6628 76 V 3.5344 7.6390 116.6585 66.3317 31.6510 178.4822 77 S 4.6872 8.1636 116.1271 60.7783 62.5642 176.6754 78 S 4.0826 8.5067 116.6528 61.4476 61.9510 176.2489 79 I 3.7220 7.3471 121.0890 64.1448 36.9587 177.3400 80 N 4.6015 7.9129 113.6373 52.6216 39.6927 174.5923 81 H 3.9226 7.3838 116.9715 56.7581 26.9510 175.8528 82 C 4.5203 8.1432 119.7786 58.1591 31.9617 173.0542 83 Y 4.2425 8.8649 128.9944 60.9560 38.3657 176.9048 84 Y 3.5446 8.0909 119.7539 61.1530 38.8249 177.9846 85 C 4.4100 8.2330 116.9178 62.7655 28.4371 175.9334 86 L 3.9731 8.2947 120.9675 57.8698 41.1757 179.8278 87 T 3.6712 7.5737 115.1884 66.5504 68.3250 176.8404 88 A 2.5800 7.5712 122.6615 54.7120 18.3468 178.9399 89 H 4.4972 8.3696 114.1269 57.2913 29.2513 178.1641 90 G 3.5197 7.8077 107.5887 47.5995 0.0000 175.6455 91 A 4.0072 7.8153 122.9179 54.8772 18.3502 179.6289 92 A 3.9586 7.6626 119.1239 55.1897 18.4899 179.9979 93 V 3.5674 7.9486 116.8616 66.2458 31.6938 178.5498 94 R 3.9383 7.9351 117.6316 59.1392 29.6598 178.9248 95 Q 3.9515 7.8506 118.4086 59.3166 29.2685 177.9485 96 L 4.1648 8.2774 119.1390 57.1147 41.6816 178.8308 97 S 4.4981 7.9981 113.2252 58.1449 63.6388 175.5126 98 G 3.8134 7.8709 108.1736 45.5672 0.0000 173.0677 99 D 4.7660 7.9268 120.2123 50.9423 41.1541 174.3083 100 P 4.3147 0.0000 0.0000 65.4190 31.1457 178.1117 101 A 4.0213 8.0149 118.3377 54.8122 18.4269 178.7876 102 L 4.1571 7.9721 118.1438 58.3471 42.4396 179.1207 103 G 3.8761 7.7440 104.3652 47.7760 0.0000 176.2268 104 E 3.8977 7.4516 116.3955 56.6843 28.7836 177.9737 *106 L 4.4401 7.9423 120.9716 55.0207 43.4063 178.3901 107 V 3.5048 7.6276 114.9206 64.3688 31.4143 175.0802 *109 N 4.4426 7.9472 117.3100 53.6829 38.9264 174.4952 110 F 4.2938 8.7484 122.0242 59.4586 38.0743 177.7246 111 R 3.6306 7.1207 119.4254 58.4820 29.9031 177.8420 112 A 4.0200 7.8202 120.1983 54.5415 18.3970 178.2529 113 A 4.1571 7.8931 117.3271 52.6444 18.9427 176.8126 114 D 4.4159 8.0621 114.1025 55.1938 38.1372 173.9659 115 L 4.3073 7.8315 117.2925 54.1060 42.8430 177.9504 116 S 4.4336 8.5764 115.8817 57.5663 65.0042 173.6782 117 P 4.2431 0.0000 0.0000 65.6522 30.8286 178.7838 118 R 3.8486 7.9103 115.8433 59.8048 30.0572 178.1515 119 Q 4.2373 7.9737 116.2199 59.1157 28.9289 178.4671 120 T 4.1942 8.2830 116.7876 66.5187 68.5801 177.1161 121 A 4.2001 7.9779 118.8401 53.1411 18.1187 178.9761 *123 L 4.0100 7.8802 122.5551 56.1327 43.9405 179.2991 124 E 4.1481 8.5346 118.5213 59.2459 29.2333 179.2300 125 F 4.0787 8.2772 120.5014 61.0811 39.4982 177.1250 126 A 3.8899 7.9933 120.0337 54.9419 18.1389 179.2772 127 V 3.5011 8.0298 117.2473 66.3751 31.5664 178.3020 128 K 3.8552 7.7995 118.6634 59.2788 31.7578 178.5513 129 L 3.8457 7.4649 120.0193 58.0885 41.9671 178.8635 130 T 4.0151 7.6719 115.1106 66.5352 68.5332 176.3647 131 E 4.2856 8.2150 119.6928 58.0128 31.3613 177.5799 132 E 4.7463 8.4974 116.6454 53.9650 30.3109 173.6083 133 P 4.1010 0.0000 0.0000 66.4051 31.9204 179.3396 134 A 4.0043 8.0303 120.4594 54.2550 18.2286 177.8426 135 K 4.4499 7.6228 112.8564 56.0508 32.6601 176.6384 136 I 4.0672 7.3390 121.1286 61.4011 37.5887 175.6769 137 V 4.5874 8.7714 117.1418 58.4832 36.0783 175.9466 138 E 3.9235 9.0458 120.0984 59.9736 29.0008 178.3043 139 A 4.0150 8.2567 119.9138 55.6957 17.6991 179.2584 140 D 4.4593 8.2926 117.2145 57.4220 40.9660 179.1617 141 R 3.6349 8.0566 117.9043 59.3107 30.2469 178.6249 142 A 4.0299 8.4062 120.6106 55.3484 18.0822 179.5679 143 A 4.0488 7.9306 119.1298 55.1762 18.5087 179.8754 144 L 4.1309 7.4461 117.4521 57.8423 41.6629 179.8574 145 R 4.2537 7.9607 119.4668 58.7239 29.8478 179.0450 146 K 3.9564 7.9791 117.8234 59.1174 32.2264 178.0492 147 A 4.2241 7.5397 119.6666 52.6495 18.5363 177.9742 148 G 3.9100 7.7787 105.1753 45.0346 0.0000 173.9341 149 F 4.6760 8.0928 119.4613 56.7201 39.7964 175.8976 150 S 4.4316 8.8264 120.3177 57.9072 65.2478 175.3380 151 D 4.3449 8.4986 121.5472 57.3167 40.5519 178.9818 152 R 3.9721 7.9617 119.0376 59.1406 30.0645 177.9795 153 D 4.4053 8.4085 119.2407 57.5008 40.8641 178.7704 154 I 3.4059 7.9451 120.4509 63.9969 36.9837 178.0416 155 W 4.1393 8.4413 129.3340 60.8785 30.4852 177.7927 156 D 4.4169 8.1990 118.5446 57.1647 40.2416 178.7407 157 I 3.5898 8.0739 120.6050 64.2848 37.1169 178.3025 158 A 4.0683 7.9822 121.4245 55.3968 18.1651 179.8239 159 S 3.8821 7.9403 113.8854 61.8914 62.8117 177.2249 160 T 3.9214 8.0088 118.1073 66.5929 68.2603 176.6939 161 A 4.0554 8.2379 122.5411 55.1035 18.1943 179.5134 162 A 3.9039 8.2417 118.5393 55.2049 18.5381 179.1778 163 F 4.0995 8.1993 118.1445 61.6892 39.6755 177.2455 164 F 3.9943 8.3309 116.9105 59.9019 38.3175 177.7254 165 N 4.5802 8.0374 113.4864 54.1892 38.0860 176.8181 *167 S 4.2572 8.0004 118.6337 58.7110 65.0217 175.8738 168 N 4.3727 8.4094 117.7551 56.6569 38.1551 177.7270 169 R 3.9672 7.5164 119.2882 58.8653 30.1042 179.1126 170 V 3.4942 7.7234 117.4390 65.9446 31.6211 177.6958 171 A 3.8735 7.9086 120.0286 55.1294 18.0506 179.3423 172 A 3.9601 8.2438 117.9398 55.4354 18.5634 179.2611 173 A 4.1114 8.1169 118.4256 54.4249 18.6467 178.8267 174 I 4.1803 7.5231 108.2727 58.6918 38.6686 171.5594 175 D 4.3113 7.4468 126.0685 54.0735 42.5434 172.4806 *177 R 4.5988 8.3825 123.4317 55.4598 31.3015 173.6434 178 P 4.1985 0.0000 0.0000 61.6143 32.4222 175.8048 179 N 4.2294 8.6988 117.1056 53.9254 38.7470 175.8661 180 D 4.3779 8.6726 120.9001 57.3725 40.9710 178.3718 181 E 3.9280 7.9861 118.7124 59.2393 29.1259 178.4886 182 Y 4.3730 7.0799 116.5030 61.5736 37.9763 177.9110 183 H 4.3655 7.6363 115.2005 58.0617 30.2304 176.4274 184 A 4.2974 7.3111 123.1297 50.6903 17.2458 177.0932 *186 A 4.1834 7.4043 121.7954 51.4525 20.6244 177.5082 187 R 4.2397 8.0731 124.3910 57.4897 30.3973 176.9173 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 4 K 8.30 4.37 0.00 1.79 1.69 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 I 8.37 4.02 1.94 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 1.52 0.94 0.95 0.00 0.00 6 S 8.10 5.05 0.00 4.15 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 7 A 8.76 4.38 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 8 L 7.69 4.47 0.00 1.55 1.48 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.59 4.49 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 10 L 8.05 2.96 0.00 1.81 1.38 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 *13 G 8.50 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.46 4.25 0.00 2.00 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 0.00 2.23 1.90 0.00 15 L 8.28 4.14 0.00 1.59 1.52 0.99 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 16 S 8.32 4.33 0.00 4.00 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 17 E 8.70 3.93 0.00 1.98 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 2.39 2.32 0.00 18 P 0.00 4.27 0.00 2.21 2.28 0.00 3.58 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 2.01 1.98 0.00 19 T 7.64 3.73 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 1.09 0.00 0.00 20 K 8.12 3.90 0.00 1.94 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.53 7.81 21 A 8.17 4.01 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 22 Y 8.01 4.09 0.00 3.17 3.18 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 23 F 8.91 4.37 0.00 3.13 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 24 A 8.30 4.02 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 25 K 7.96 3.94 0.00 1.78 1.79 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.66 7.81 26 C 8.16 3.90 0.00 2.96 2.99 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 0.00 0.00 0.00 27 E 8.12 3.96 0.00 2.13 1.96 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 2.29 2.29 0.00 28 E 8.36 4.15 0.00 2.11 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 0.00 2.34 2.40 0.00 29 K 7.97 4.15 0.00 1.85 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.34 7.81 30 L 7.82 4.60 0.00 1.76 1.60 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.39 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 32 L 7.11 4.16 0.00 1.55 1.45 0.47 0.45 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 33 V 7.95 3.91 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 -0.24 0.00 0.00 0.73 0.00 0.00 34 P 0.00 4.43 0.00 2.27 2.15 0.00 3.55 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 35 N 9.74 4.39 0.00 3.06 3.07 0.00 0.00 6.34 7.53 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 36 V 8.24 3.51 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 0.86 0.00 0.00 0.44 0.00 0.00 37 L 7.93 4.13 0.00 1.65 2.06 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.08 4.32 0.00 2.02 1.94 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.30 7.81 39 A 7.86 4.04 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 40 Y 8.10 3.87 0.00 3.15 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 41 A 7.68 4.30 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 42 F 8.05 4.28 0.00 3.15 3.18 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 43 D 7.30 4.31 0.00 2.40 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 0.00 0.00 0.00 44 D 8.63 4.25 0.00 2.75 2.63 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 45 K 7.73 3.83 0.00 2.03 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 46 K 7.85 4.02 0.00 1.88 2.06 0.00 1.52 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.55 7.81 47 L 8.06 3.86 0.00 1.89 1.81 1.13 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.58 3.73 0.00 1.85 1.91 0.00 3.26 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 1.57 1.75 0.00 49 A 8.11 3.95 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 50 F 8.37 4.02 0.00 2.33 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 51 T 8.07 3.66 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 1.24 0.00 0.00 52 D 8.17 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0.00 0.00 0.00 1.62 1.75 0.00 70 E 7.96 4.11 0.00 2.12 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 2.51 2.53 0.00 *72 I 7.81 3.92 1.96 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 1.27 0.70 0.91 0.00 0.00 73 A 7.74 3.23 -0.16 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 74 V 7.67 3.44 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 0.89 0.00 0.00 0.92 0.00 0.00 75 A 7.78 3.94 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 76 V 7.64 3.53 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 1.15 0.00 0.00 0.95 0.00 0.00 77 S 8.16 4.69 0.00 4.04 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 78 S 8.51 4.08 0.00 3.98 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 79 I 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0.00 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 88 A 7.57 2.58 0.73 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 89 H 8.37 4.50 0.00 3.23 3.33 0.00 5.62 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 90 G 7.81 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 0.00 0.00 0.00 91 A 7.82 4.01 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 92 A 7.66 3.96 1.43 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 0.00 0.00 0.00 93 V 7.95 3.57 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 1.05 0.00 0.00 0.97 0.00 0.00 94 R 7.94 3.94 0.00 2.09 2.14 0.00 3.25 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 95 Q 7.85 3.95 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 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0.00 0.00 0.00 2.33 2.39 0.00 132 E 8.50 4.75 0.00 2.01 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 2.16 2.20 0.00 133 P 0.00 4.10 0.00 2.19 2.29 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 134 A 8.03 4.00 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 0.00 135 K 7.62 4.45 0.00 1.86 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 136 I 7.34 4.07 1.86 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.99 0.00 0.00 137 V 8.77 4.59 2.11 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 0.85 0.00 0.00 1.00 0.00 0.00 138 E 9.05 3.92 0.00 2.10 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 2.48 0.00 139 A 8.26 4.02 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 0.00 140 D 8.29 4.46 0.00 3.07 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 0.00 141 R 8.06 3.63 0.00 2.06 1.96 0.00 3.38 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 142 A 8.41 4.03 1.39 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 0.00 143 A 7.93 4.05 1.45 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 0.00 0.00 0.00 144 L 7.45 4.13 0.00 1.57 1.67 -0.15 0.72 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 0.00 145 R 7.96 4.25 0.00 2.06 1.99 0.00 3.15 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 146 K 7.98 3.96 0.00 1.92 2.01 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 147 A 7.54 4.22 1.45 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 0.00 0.00 0.00 148 G 7.78 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 0.00 0.00 0.00 149 F 8.09 4.68 0.00 3.19 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 0.00 150 S 8.83 4.43 0.00 4.10 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 0.00 151 D 8.50 4.34 0.00 2.80 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 0.00 152 R 7.96 3.97 0.00 1.89 1.93 0.00 3.10 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 153 D 8.41 4.41 0.00 3.17 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 0.00 154 I 7.95 3.41 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.67 0.00 0.00 155 W 8.44 4.14 0.00 3.48 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 0.00 156 D 8.20 4.42 0.00 2.95 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 0.00 157 I 8.07 3.59 1.70 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.86 0.00 0.00 158 A 7.98 4.07 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 0.00 159 S 7.94 3.88 0.00 3.68 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 0.00 160 T 8.01 3.92 4.38 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 1.36 0.00 0.00 161 A 8.24 4.06 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 0.00 162 A 8.24 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 0.00 163 F 8.20 4.10 0.00 2.97 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 0.00 164 F 8.33 3.99 0.00 3.23 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 0.00 165 N 8.04 4.58 0.00 2.89 2.80 0.00 0.00 6.82 7.36 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 *167 S 8.00 4.26 0.00 3.63 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 0.00 168 N 8.41 4.37 0.00 2.81 2.92 0.00 0.00 7.08 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.52 3.97 0.00 1.78 1.95 0.00 3.22 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 170 V 7.72 3.49 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 0.94 0.00 0.00 0.90 0.00 0.00 171 A 7.91 3.87 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 0.00 172 A 8.24 3.96 1.39 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 0.00 173 A 8.12 4.11 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 0.00 174 I 7.52 4.18 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.24 0.89 0.00 0.00 175 D 7.45 4.31 0.00 2.96 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 *177 R 8.38 4.60 0.00 1.99 2.05 0.00 3.62 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 178 P 0.00 4.20 0.00 1.79 0.92 0.00 3.83 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.03 0.00 179 N 8.70 4.23 0.00 2.08 2.69 0.00 0.00 6.59 8.08 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 0.00 180 D 8.67 4.38 0.00 2.80 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 0.00 181 E 7.99 3.93 0.00 1.77 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 2.29 2.38 0.00 182 Y 7.08 4.37 0.00 2.82 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 0.00 183 H 7.64 4.37 0.00 3.29 3.40 0.00 5.64 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 0.00 184 A 7.31 4.30 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 *186 A 7.40 4.18 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 0.00 187 R 8.07 4.24 0.00 1.82 1.85 0.00 3.43 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.