NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4351 8.3344 115.4207 57.4309 64.0892 176.3439 7 F 4.6423 7.8884 112.9966 56.8567 41.8397 171.1781 8 F 4.3113 8.8915 124.7579 55.8824 43.5982 174.3753 9 T 4.5896 7.7332 120.5173 61.7691 70.4548 176.3551 10 V 3.5997 8.4160 115.1517 64.6496 31.5273 178.8890 11 K 4.0771 8.1239 117.3948 58.4676 31.9338 176.9967 12 D 4.8220 8.1491 118.0595 53.6374 41.0104 176.2543 13 V 4.1542 7.8088 119.2070 60.7116 34.0367 174.2534 14 A 3.9334 8.9110 130.1069 52.7042 18.4178 177.7346 15 A 4.2534 8.7851 124.8878 55.2755 18.2220 178.8695 16 A 4.2161 8.1256 118.5629 55.2422 18.1328 178.7792 17 D 4.4649 8.4820 116.9661 57.1990 41.4518 178.2651 18 F 4.2104 8.1855 120.6879 61.5396 39.4454 177.0234 19 I 3.7318 8.7359 119.7073 64.1749 36.6761 178.0181 20 R 3.9965 7.6357 116.9612 58.0053 29.9815 177.2524 21 E 4.3471 8.2541 117.8961 58.9669 30.1476 177.5422 22 Y 4.2208 7.3151 118.5531 60.2204 38.5989 177.0665 23 A 4.0756 8.0230 121.9794 55.3346 18.4314 179.4302 24 S 4.2246 7.9732 111.9326 61.8355 62.9780 176.0332 25 H 3.8355 8.0476 119.8486 58.2151 28.5540 176.8295 26 L 4.4967 7.8868 118.8867 55.8932 41.9066 178.8882 27 K 4.2362 9.2079 120.6507 59.1629 31.9457 179.1514 28 K 3.8685 8.0605 117.0103 59.8403 32.4894 177.7845 29 A 4.0617 7.7455 121.3283 53.2361 18.8439 177.4989 30 N 4.6846 7.9640 113.6685 53.5532 36.6866 176.4449 31 K 3.8040 8.0416 121.8176 59.5875 33.1866 178.0999 32 L 4.5604 6.8367 121.3508 56.6882 41.8933 177.1095 33 S 4.6513 8.7990 100.5000 58.2239 63.4903 173.5731 34 I 3.0099 7.5288 127.0226 60.5540 35.5568 173.4825 35 P 3.8404 0.0000 0.0000 61.7995 30.8503 176.1880 36 E 3.8844 7.8189 119.2518 58.8482 29.8874 178.3969 37 F 4.4335 7.7746 115.1074 59.9478 37.7661 176.1198 38 T 4.0231 6.0375 116.7326 65.9160 68.3821 175.3713 39 Q 4.1048 8.3255 124.2043 59.4772 29.0596 180.0187 40 W 4.3985 7.8067 127.3178 57.8074 29.8392 175.8670 41 T 3.3992 8.9238 109.6724 65.4672 66.1666 173.1193 42 T 4.4723 8.1488 118.5745 62.5795 70.7422 173.0658 43 T 3.6883 7.4779 121.5637 62.9693 69.8602 173.7608 44 S 4.0567 8.0931 118.5732 59.3225 65.3269 173.1291 45 V 3.1185 8.8249 126.4067 62.5288 28.7478 173.6246 46 A 4.3542 8.6486 123.7246 51.9475 20.4185 176.4108 47 R 4.4729 7.9489 122.8865 56.3276 33.2957 173.5722 48 E 3.9792 8.4834 118.4690 58.0119 29.4606 176.5899 49 L 4.3747 7.8840 123.1946 53.8362 44.2964 176.1991 50 A 4.5735 8.4416 124.9885 50.4029 18.9434 175.6935 51 P 4.2301 0.0000 0.0000 63.4403 31.6702 175.8320 52 Q 4.3793 8.4499 115.7398 57.6423 30.0425 176.2617 53 D 4.4693 8.0102 116.3560 54.1455 41.7641 175.9662 54 S 4.4269 8.8736 121.4359 61.5782 62.8332 174.6758 55 D 4.7232 8.3632 119.1048 54.0971 40.5124 177.9751 56 W 4.3823 8.0562 121.3885 59.9631 27.4667 178.0652 57 V 3.3994 6.6973 118.2281 66.1054 30.7580 177.5365 58 Y 3.9839 8.4451 116.4716 61.1008 37.6870 178.2886 59 I 3.7790 7.9696 120.2481 64.4978 37.1727 178.2992 60 R 4.0734 8.6722 119.0715 59.7747 30.0215 179.2500 61 T 3.8383 7.9511 114.9676 66.8292 68.2804 176.5613 62 A 3.5184 8.6099 123.6506 55.3307 18.3359 179.5500 63 A 4.1332 8.3874 119.0243 54.8622 18.6787 179.3745 64 L 3.8190 8.3013 119.0467 58.2517 41.9419 179.2326 65 A 4.0973 8.1798 120.9208 54.9754 18.1429 179.4870 66 R 3.9070 7.7387 116.9423 59.4189 30.1305 178.9314 67 K 3.9250 8.8955 118.7618 59.6905 31.9555 179.6584 68 V 3.8105 7.6914 116.8057 65.8759 31.4996 176.9488 69 Y 4.4422 8.2252 118.0883 59.2377 38.6554 176.3450 70 L 4.3521 7.1419 117.8276 55.0317 44.5179 177.0906 71 K 4.4702 8.2044 120.7729 53.3992 31.4591 172.9121 72 P 4.2552 0.0000 0.0000 64.2090 32.0746 177.4706 73 H 4.9656 8.4945 117.1606 57.0750 27.2131 175.7173 74 T 4.0317 7.4256 116.4149 63.6115 68.9641 174.1263 75 G 4.2087 8.2154 109.7906 42.7658 0.0000 173.9945 76 I 3.6968 8.3006 120.0591 64.8491 36.6860 178.7617 77 S 4.2972 8.0152 114.2535 61.2470 62.6877 176.4509 78 T 4.0070 7.6638 119.2436 66.3678 68.8200 176.7401 79 L 3.7831 8.4793 121.1913 57.6005 41.5979 179.2310 80 K 3.5374 8.4413 120.0664 59.8323 31.8580 178.4012 81 H 4.5425 7.7261 115.7160 58.9855 28.8040 177.6943 82 I 3.8202 8.6654 121.6108 64.1403 37.0928 177.8838 83 F 4.7085 8.5101 114.8508 57.0767 38.0998 173.4778 84 G 3.5435 9.4006 109.7821 45.3858 0.0000 172.0336 85 S 4.3555 7.7494 119.3419 56.0227 66.0065 171.8889 86 N 5.2755 8.7413 124.7144 51.5888 41.8944 173.2171 87 K 4.4140 8.5656 125.5290 54.6734 35.2556 175.0584 88 D 4.8570 8.6117 127.1185 52.9714 39.6025 176.3686 89 R 4.2176 8.1481 122.4266 56.5276 32.2821 176.9939 90 G 4.0961 8.1336 106.2840 44.5666 0.0000 174.9913 91 N 4.4511 9.3896 116.4605 56.0777 39.4047 175.8573 92 L 4.0536 7.7248 117.0044 54.2735 42.1284 177.1935 93 R 3.9599 8.5105 122.2145 56.2396 30.8919 175.1474 94 N 5.3425 8.4038 115.3876 52.4455 39.9345 174.9956 95 K 4.8525 8.4510 121.7073 54.4692 35.9952 174.9651 96 H 4.8243 8.7996 122.1691 56.3903 30.5674 174.1479 97 Q 4.7793 8.5898 125.3792 54.1711 31.8085 174.6740 98 A 4.4680 8.5005 125.8593 50.9348 19.8848 178.1805 99 C 4.1593 7.9373 126.3648 59.7204 31.2488 173.3298 100 H 4.9432 8.4112 114.5273 53.7659 30.7787 174.8593 101 G 3.7865 8.5020 110.3995 46.6303 0.0000 175.1319 102 K 3.9120 7.8240 122.4403 59.0607 32.2867 178.3314 103 I 4.0378 7.6687 119.1744 64.5923 36.8821 177.9176 104 L 4.0227 7.6698 120.2556 58.3408 41.8704 179.2647 105 R 3.9913 8.1362 115.8948 58.8555 29.1143 178.5738 106 W 4.0939 8.3719 128.7857 60.5432 30.9677 177.5263 107 A 3.5714 8.3402 122.0178 54.5167 17.5923 179.6568 108 L 3.9105 7.6313 116.7735 57.4915 41.7474 179.4856 109 K 3.8372 7.5734 119.9194 59.4759 32.0396 179.0622 110 S 3.8046 7.5286 114.7182 61.3077 62.7265 176.3984 111 L 3.9186 7.5440 121.8712 56.8132 41.1848 179.0183 112 E 4.1667 7.6095 120.8546 58.6372 29.4266 178.3684 113 D 4.3138 7.8583 117.7653 57.0462 40.9286 177.9831 114 L 4.1730 7.4438 116.5793 54.4218 41.7715 176.9526 115 K 3.9189 8.0574 117.6661 57.8317 30.0972 176.5102 116 I 4.3747 7.7945 120.1661 62.3319 40.1316 176.0958 117 I 4.5783 7.7820 121.7450 60.1919 39.4536 175.1990 118 R 4.6431 8.7019 123.6048 54.8425 34.0762 174.2496 119 K 4.8334 8.3819 124.6959 54.5276 32.9659 175.5636 120 D 4.3555 8.7100 126.5402 53.8206 42.2934 177.1257 121 K 4.9257 8.5257 126.6220 56.6408 32.3905 176.0018 122 N 4.7677 8.0487 114.1673 53.9204 42.1129 174.3697 123 S 4.0308 8.0970 121.3232 58.5996 62.5844 175.1765 124 A 4.1065 8.5355 127.9765 54.1466 17.7314 178.3151 125 T 4.1745 7.2876 113.1995 64.2980 69.4716 176.0912 126 K 4.4139 7.3525 122.0342 54.7488 31.3143 174.6455 127 K 4.2290 7.8057 118.8104 58.1627 32.5397 177.2593 128 F 4.0583 9.7905 123.2323 57.1460 37.4109 175.1003 129 S 4.5494 7.8837 116.0234 58.3165 64.7009 173.3304 130 R 4.9503 8.4456 119.9451 55.8299 31.6252 175.7488 131 V 4.8232 8.8547 122.5444 60.6941 35.5556 174.4802 132 I 4.4966 8.5625 118.7980 61.6327 38.2101 174.8336 133 T 4.6553 8.1739 112.9024 59.5467 71.8653 174.9405 134 K 4.0471 8.9567 121.7324 60.1125 31.9429 179.3109 135 E 4.0534 8.1464 117.8797 59.2329 29.0489 179.3152 136 G 3.7046 8.0582 106.0178 48.2519 0.0000 175.6403 137 M 3.6494 8.8674 120.9149 57.6496 31.3323 178.7649 138 T 3.7643 7.5423 117.2708 66.5842 68.5140 175.7651 139 E 3.8428 7.8386 120.9867 59.4331 29.4257 179.0624 140 L 3.9174 7.2190 118.2433 58.0402 41.6461 179.1707 141 N 4.5179 7.8891 115.7720 56.3625 38.4225 177.7397 142 R 4.2302 7.8864 119.0060 59.3499 30.2026 178.8702 143 I 3.6216 7.4244 119.2933 64.4187 36.9595 178.1201 144 A 4.1490 8.5261 121.6888 55.8692 18.3098 179.7931 145 T 3.8002 9.0421 115.0922 66.8455 68.4368 176.6585 146 Q 4.0296 8.6971 121.9289 59.2408 29.1039 178.5114 147 I 3.7224 8.0023 120.6763 64.2154 37.2083 177.8096 148 A 3.7153 8.8642 122.7246 55.5843 18.1646 179.6607 149 I 3.6149 8.3014 117.8155 64.5791 36.9740 178.9391 150 K 4.0644 7.5903 118.1376 59.2451 32.1418 179.1970 151 Q 4.1031 8.0042 118.6762 58.9647 28.4543 178.7564 152 R 3.9896 7.6506 117.7760 58.7575 30.1317 178.4691 153 Q 4.0881 7.7423 118.3335 57.9054 30.3069 176.5238 154 A 4.3542 7.6774 123.9913 52.9409 16.6523 177.3937 155 K 4.5446 7.4140 124.2938 56.2244 32.5231 176.9371 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 6 S 8.33 4.44 0.00 3.82 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.89 4.64 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.89 4.31 0.00 2.87 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 9 T 7.73 4.59 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 10 V 8.42 3.60 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.09 0.00 0.00 11 K 8.12 4.08 0.00 1.71 1.85 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.38 1.45 7.81 12 D 8.15 4.82 0.00 2.84 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 13 V 7.81 4.15 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 0.85 0.00 0.00 0.98 0.00 0.00 14 A 8.91 3.93 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 15 A 8.79 4.25 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 16 A 8.13 4.22 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 17 D 8.48 4.46 0.00 2.75 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.19 4.21 0.00 3.19 3.19 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 0.00 0.00 0.00 0.00 19 I 8.74 3.73 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.14 1.03 0.00 0.00 20 R 7.64 4.00 0.00 2.04 2.14 0.00 3.24 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 21 E 8.25 4.35 0.00 1.95 1.88 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 0.00 2.22 2.43 0.00 22 Y 7.32 4.22 0.00 2.03 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.02 4.08 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 24 S 7.97 4.22 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.05 3.84 0.00 3.47 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.89 4.50 0.00 2.04 1.73 0.48 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.21 4.24 0.00 1.72 1.73 0.00 1.19 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.80 1.40 7.81 28 K 8.06 3.87 0.00 1.87 1.96 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.50 7.81 29 A 7.75 4.06 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 30 N 7.96 4.68 0.00 3.15 3.61 0.00 0.00 7.22 6.55 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 31 K 8.04 3.80 0.00 1.76 1.92 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.46 7.81 32 L 6.84 4.56 0.00 1.79 1.55 -0.19 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.80 4.65 0.00 3.96 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 34 I 7.53 3.01 1.70 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 1.27 0.48 0.54 0.00 0.00 35 P 0.00 3.84 0.00 0.61 1.37 0.00 2.37 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 36 E 7.82 3.88 0.00 2.02 1.88 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 0.00 2.53 2.57 0.00 37 F 7.77 4.43 0.00 3.26 3.30 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 38 T 6.04 4.02 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 1.06 0.00 0.00 39 Q 8.33 4.10 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 7.22 0.00 0.00 0.00 0.00 0.00 2.43 2.12 0.00 40 W 7.81 4.40 0.00 3.52 3.30 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 41 T 8.92 3.40 4.52 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 1.28 0.00 0.00 42 T 8.15 4.47 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 1.25 0.00 0.00 43 T 7.48 3.69 4.17 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 1.11 0.00 0.00 44 S 8.09 4.06 0.00 3.95 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 45 V 8.82 3.12 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 0.86 0.00 0.00 1.14 0.00 0.00 46 A 8.65 4.35 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.95 4.47 0.00 1.71 1.79 0.00 3.17 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 48 E 8.48 3.98 0.00 1.94 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 0.00 2.26 2.27 0.00 49 L 7.88 4.37 0.00 1.57 1.53 0.92 0.98 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 50 A 8.44 4.57 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 51 P 0.00 4.23 0.00 2.05 1.70 0.00 3.34 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 52 Q 8.45 4.38 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 53 D 8.01 4.47 0.00 2.71 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 54 S 8.87 4.43 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.36 4.72 0.00 2.68 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.06 4.38 0.00 3.54 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 57 V 6.70 3.40 1.90 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 0.76 0.00 0.00 -0.48 0.00 0.00 58 Y 8.45 3.98 0.00 3.11 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 59 I 7.97 3.78 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.94 1.01 0.00 0.00 60 R 8.67 4.07 0.00 2.30 2.18 0.00 3.45 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 61 T 7.95 3.84 4.14 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 1.06 0.00 0.00 62 A 8.61 3.52 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.39 4.13 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 64 L 8.30 3.82 0.00 1.97 1.83 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.18 4.10 1.54 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 0.00 0.00 66 R 7.74 3.91 0.00 2.19 2.22 0.00 3.33 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 67 K 8.90 3.92 0.00 2.05 1.90 0.00 1.81 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 1.53 1.70 7.81 68 V 7.69 3.81 2.15 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 0.84 0.00 0.00 1.01 0.00 0.00 69 Y 8.23 4.44 0.00 2.98 3.19 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 0.00 0.00 0.00 0.00 70 L 7.14 4.35 0.00 1.74 1.57 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.20 4.47 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.32 7.81 72 P 0.00 4.26 0.00 2.04 2.02 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 73 H 8.49 4.97 0.00 3.38 3.68 0.00 5.62 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.43 4.03 4.27 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 1.25 0.00 0.00 75 G 8.22 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.30 3.70 1.88 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 1.72 0.57 0.91 0.00 0.00 77 S 8.02 4.30 0.00 4.04 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 78 T 7.66 4.01 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 79 L 8.48 3.78 0.00 1.76 1.76 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.44 3.54 0.00 1.97 1.81 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.34 7.81 81 H 7.73 4.54 0.00 3.54 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.67 3.82 2.02 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 1.65 0.74 1.00 0.00 0.00 83 F 8.51 4.71 0.00 3.30 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 84 G 9.40 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 0.00 0.00 0.00 85 S 7.75 4.36 0.00 3.05 3.76 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 86 N 8.74 5.28 0.00 2.70 2.62 0.00 0.00 6.82 6.68 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 87 K 8.57 4.41 0.00 1.85 1.74 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.33 7.81 88 D 8.61 4.86 0.00 2.71 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 89 R 8.15 4.22 0.00 2.00 1.96 0.00 3.26 0.00 0.00 3.49 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 90 G 8.13 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 91 N 9.39 4.45 0.00 2.71 2.88 0.00 0.00 6.84 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 92 L 7.72 4.05 0.00 1.63 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.51 3.96 0.00 1.77 1.94 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 94 N 8.40 5.34 0.00 2.62 2.97 0.00 0.00 7.43 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 95 K 8.45 4.85 0.00 1.66 1.70 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.35 7.81 96 H 8.80 4.82 0.00 3.16 3.25 0.00 5.86 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 97 Q 8.59 4.78 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 98 A 8.50 4.47 1.13 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 0.00 0.00 99 C 7.94 4.16 0.00 1.23 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 0.00 0.00 0.00 100 H 8.41 4.94 0.00 3.15 3.09 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.50 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 0.00 102 K 7.82 3.91 0.00 1.58 1.41 0.00 1.32 0.00 0.00 1.45 0.00 0.00 2.38 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.37 7.81 103 I 7.67 4.04 2.07 0.00 0.00 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 1.91 0.86 1.17 0.00 0.00 104 L 7.67 4.02 0.00 2.06 1.68 0.97 0.85 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 0.00 105 R 8.14 3.99 0.00 2.15 2.22 0.00 2.85 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.72 0.00 106 W 8.37 4.09 0.00 3.62 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 0.00 107 A 8.34 3.57 1.54 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 0.00 0.00 108 L 7.63 3.91 0.00 1.85 1.69 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.57 3.84 0.00 1.71 1.77 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.42 7.81 110 S 7.53 3.80 0.00 3.38 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.54 3.92 0.00 1.85 1.69 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.61 4.17 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 113 D 7.86 4.31 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 114 L 7.44 4.17 0.00 1.74 1.70 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.06 3.92 0.00 1.88 1.90 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 116 I 7.79 4.37 1.89 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 1.43 1.08 0.98 0.00 0.00 117 I 7.78 4.58 1.93 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 1.11 1.19 0.88 0.00 0.00 118 R 8.70 4.64 0.00 1.81 1.82 0.00 3.04 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 119 K 8.38 4.83 0.00 1.34 1.30 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.72 7.81 120 D 8.71 4.36 0.00 2.79 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 0.00 121 K 8.53 4.93 0.00 1.72 1.84 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.23 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.89 1.24 7.81 122 N 8.05 4.77 0.00 2.86 2.71 0.00 0.00 6.82 7.17 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 0.00 123 S 8.10 4.03 0.00 3.95 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 0.00 124 A 8.54 4.11 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 T 7.29 4.17 4.23 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 1.21 0.00 0.00 126 K 7.35 4.41 0.00 1.83 1.79 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.43 7.81 127 K 7.81 4.23 0.00 1.76 1.95 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.48 7.81 128 F 9.79 4.06 0.00 2.95 3.50 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 0.00 129 S 7.88 4.55 0.00 3.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.45 4.95 0.00 1.76 1.87 0.00 3.23 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 131 V 8.85 4.82 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 0.94 0.00 0.00 0.74 0.00 0.00 132 I 8.56 4.50 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 1.17 0.00 0.00 133 T 8.17 4.66 4.23 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 1.28 0.00 0.00 134 K 8.96 4.05 0.00 1.80 1.91 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.55 7.81 135 E 8.15 4.05 0.00 1.99 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 0.00 2.38 2.36 0.00 136 G 8.06 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 137 M 8.87 3.65 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 138 T 7.54 3.76 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 1.14 0.00 0.00 139 E 7.84 3.84 0.00 1.97 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 0.00 2.24 2.15 0.00 140 L 7.22 3.92 0.00 1.54 1.44 0.61 1.01 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 0.00 141 N 7.89 4.52 0.00 2.89 3.41 0.00 0.00 7.13 7.21 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 0.00 142 R 7.89 4.23 0.00 2.00 1.94 0.00 3.08 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 143 I 7.42 3.62 2.09 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.81 0.00 0.00 144 A 8.53 4.15 1.52 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 0.00 145 T 9.04 3.80 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 1.57 0.00 0.00 146 Q 8.70 4.03 0.00 2.10 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 147 I 8.00 3.72 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.97 0.00 0.00 148 A 8.86 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.30 3.61 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.29 0.96 0.00 0.00 150 K 7.59 4.06 0.00 1.85 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.80 7.81 151 Q 8.00 4.10 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 152 R 7.65 3.99 0.00 1.78 1.97 0.00 3.20 0.00 0.00 3.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 153 Q 7.74 4.09 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.55 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 154 A 7.68 4.35 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 0.00 155 K 7.41 4.54 0.00 1.88 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81