NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.5916 8.1833 119.3216 57.6255 40.8454 173.9429 6 T 4.6059 8.3456 118.4889 61.0936 72.7274 171.6798 7 D 5.2827 8.7477 127.4055 51.5324 42.9684 176.6586 8 K 4.0846 8.6659 117.1181 60.1360 32.6373 177.4262 9 N 4.5134 8.3360 114.4046 53.4205 38.8278 175.8060 10 G 3.9639 8.0550 106.5477 45.1942 0.0000 173.9908 11 R 4.2120 8.6096 120.7581 56.2314 30.7552 175.1770 12 Q 5.1332 8.5432 121.6844 52.3920 32.3415 175.4397 13 S 4.2121 7.6184 116.5740 58.6590 63.3516 173.5162 14 K 4.4235 9.4847 122.1243 56.1627 34.5374 177.0773 15 G 3.8724 8.9182 109.5522 44.3709 0.0000 172.4055 16 V 4.5048 8.1450 111.4405 59.3080 34.2212 175.6343 17 L 3.3431 8.4111 126.3297 55.5577 41.8759 176.0301 18 L 4.3819 8.8414 126.9627 56.3277 42.7052 177.1006 19 L 4.7618 7.4425 117.1713 52.8223 46.3165 175.5748 20 R 4.8857 8.5703 121.7109 55.0977 32.5904 174.1952 21 T 4.8285 9.0008 123.2709 61.6205 72.6837 173.4878 22 L 4.8293 8.6764 125.2414 54.0464 43.1038 176.4502 23 A 3.7900 9.0604 126.0531 52.4226 19.1843 176.5035 24 M 4.6906 8.7409 122.4876 53.0298 35.1555 175.6320 25 P 4.1007 0.0000 0.0000 66.0050 31.5389 178.4382 26 S 4.4050 7.8617 109.1322 59.3992 63.2742 174.1049 27 D 4.3594 7.7248 120.7973 54.7349 40.9869 176.6877 28 T 4.5060 7.3698 110.3763 60.2783 70.2268 174.4094 29 N 4.2783 8.8604 120.1307 51.9968 38.4121 175.6073 30 A 3.9421 8.1865 120.0178 55.3110 18.4211 178.1764 31 N 4.3694 8.0658 111.9681 54.4405 39.1138 175.5398 32 G 3.9296 8.2182 105.3754 45.9223 0.0000 172.9496 33 D 4.8420 8.1198 119.5938 52.2527 42.4311 176.0543 34 I 4.1450 8.3155 124.3227 61.1855 37.5400 175.6168 35 F 4.9806 8.6038 120.1986 54.4745 40.6649 176.5468 36 G 3.2569 8.8034 108.5514 48.0522 0.0000 175.9111 37 G 3.7444 8.1743 107.7057 47.2191 0.0000 175.2851 38 W 3.9079 6.1287 130.5257 60.0837 30.6134 178.0998 39 I 3.2446 7.4890 119.1946 64.4989 36.5969 177.9854 40 M 4.1535 8.2970 119.8490 58.5383 31.8456 178.6627 41 S 4.0249 8.1705 113.3257 61.6199 62.4501 176.3153 42 Q 3.7150 7.5371 120.4939 58.9499 28.3257 178.6254 43 M 3.8327 7.9140 119.7338 58.2990 32.0323 178.3553 44 D 3.4961 7.6687 117.9221 57.2605 41.2294 177.8198 45 M 4.0316 7.7035 117.3926 58.5688 32.6156 178.2053 46 G 3.6534 8.2551 106.2004 47.6583 0.0000 175.7425 47 G 3.7111 8.3107 108.8852 47.6175 0.0000 175.5527 48 A 2.9662 7.7858 122.7922 53.9536 18.2040 179.7919 49 I 3.4915 7.2578 118.6538 64.3755 37.1603 178.2675 50 L 4.0101 7.6538 120.2833 58.0891 41.9757 178.4883 51 A 3.8715 7.5973 120.7198 55.1554 18.3475 179.5734 52 K 3.9485 7.9876 118.0510 59.4230 31.9814 178.7471 53 E 3.9439 7.9041 118.2026 59.6454 29.4985 179.2152 54 I 3.9239 7.5135 118.0317 64.2103 37.4105 178.0674 55 A 4.0815 8.2308 120.0712 52.7577 18.4819 176.8605 56 H 4.0267 8.2092 113.1169 54.7461 26.9473 175.4609 57 G 3.8228 7.8520 106.2031 45.5988 0.0000 172.2977 58 R 4.0600 7.9970 119.8516 57.1517 31.0239 177.2209 59 V 5.1049 8.2367 117.0872 59.8266 35.9232 174.9885 60 V 4.7083 8.8273 115.8000 59.7783 35.8756 174.8873 61 T 4.6036 8.6558 119.5672 63.6587 68.4176 174.9929 62 V 4.3430 8.7326 119.6339 62.0306 33.8028 175.8932 63 A 4.6630 7.4818 119.9558 50.6029 22.7177 175.2501 64 V 4.3746 7.8264 118.3903 60.9451 34.7842 174.9623 65 E 4.4220 8.2056 126.0036 54.8903 31.2046 176.1821 66 S 4.2633 8.3050 114.2647 58.6804 63.6247 173.1547 67 M 4.6037 7.9720 119.3584 53.9643 35.0852 173.7555 68 N 4.8489 8.1744 120.8964 51.2702 41.8401 174.0932 69 F 4.7939 8.5187 119.7794 55.8250 40.3066 175.6887 70 I 4.1133 8.4171 120.4615 62.4109 38.1808 176.4993 71 K 4.6198 7.6885 118.4908 53.8158 35.8860 174.0088 72 P 4.6642 0.0000 0.0000 62.6243 32.2414 175.4400 73 I 4.7667 8.0909 118.8050 59.7069 40.2934 175.5483 74 S 4.7375 9.1872 120.4599 56.4451 64.5122 174.0895 75 V 3.7728 8.2284 122.4847 65.0656 31.3761 176.0878 76 G 4.0844 9.1041 116.0216 45.3379 0.0000 173.6636 77 D 4.6490 7.9924 119.6579 54.3044 42.3225 175.6654 78 V 4.4691 8.4524 121.8624 62.2343 33.2771 174.8564 79 V 4.8186 9.2962 127.8382 61.4206 34.2551 173.7050 80 C 5.2790 9.5568 126.0345 58.1298 31.4055 172.6388 81 C 5.2819 8.7560 120.8661 58.2501 30.4143 172.4464 82 Y 5.0687 9.3500 121.9723 56.1547 40.5740 175.0685 83 G 4.5276 9.2161 109.8057 44.5680 0.0000 171.6124 84 Q 4.9514 8.9627 121.3353 53.8193 32.7858 174.0720 85 C 4.7046 8.8900 124.7658 59.4916 31.6475 172.8500 86 L 4.6122 9.0003 126.3316 55.6602 43.1897 176.8783 87 K 4.5573 7.7233 118.3669 55.1505 35.7408 174.3702 88 V 4.7030 8.5384 126.5953 60.9402 33.4753 174.9619 89 G 4.1599 8.9850 119.9269 45.4937 0.0000 174.5760 90 R 4.0201 8.7516 120.2127 59.0591 30.5986 178.0709 91 S 4.9160 7.9895 109.4367 57.7026 65.2235 172.9931 92 S 5.2673 7.9946 115.7980 57.4241 65.7471 173.2116 93 I 5.1184 8.8089 121.6832 59.9722 41.5858 174.0587 94 K 4.9926 9.3261 127.3016 54.9176 34.2660 175.4040 95 I 5.0280 8.9575 126.4084 59.2932 40.3057 174.6411 96 K 4.7491 9.1002 129.6952 55.9031 33.5475 175.4427 97 V 4.9945 8.9496 127.5776 61.2554 34.0828 173.8171 98 E 5.0178 9.2869 127.5111 54.6616 32.4360 174.9631 99 V 4.7638 8.5906 124.2609 61.1507 33.5305 174.4150 100 W 4.8107 9.3162 128.0763 54.6853 32.3927 174.9052 101 V 4.7854 8.3507 122.5995 60.9082 34.4607 173.9845 102 K 5.1634 9.0172 128.9417 54.3592 34.3004 175.0782 103 K 4.5817 9.3135 130.4648 56.9331 32.7025 176.8552 104 V 4.0596 9.5371 126.0595 64.4565 33.5046 176.6512 105 A 4.2110 8.4461 120.8541 54.3705 18.5431 177.4271 106 S 4.8408 7.6218 108.9046 56.3049 66.7942 173.7745 107 E 4.2839 8.5681 122.0919 55.6329 29.9715 175.1069 108 P 4.4837 0.0000 0.0000 62.1360 32.1597 175.7330 109 I 3.8651 9.1868 125.7675 62.4218 37.3596 176.5359 110 G 4.0269 8.9902 114.7162 44.7654 0.0000 173.3719 111 E 4.2378 7.9942 121.7951 56.5833 30.7903 175.6625 112 R 6.0300 9.0113 124.5077 54.2410 32.8294 174.6957 113 Y 5.0218 8.3296 119.2487 56.0546 41.8906 172.8548 114 C 3.7073 7.9622 121.0229 57.8658 32.1311 173.4500 115 V 3.9027 8.2499 127.3653 66.0720 32.2464 175.3635 116 T 4.6712 7.4030 112.5816 61.5409 70.8263 171.0076 117 D 5.2321 7.9242 121.8837 52.6172 42.4988 174.1804 118 A 4.4621 8.7627 118.4232 51.3346 23.4888 175.4554 119 V 4.5034 8.8132 121.2465 62.0987 33.1164 174.8498 120 F 4.7863 9.5000 127.2258 56.2034 41.3413 174.8169 121 T 4.8737 8.3568 119.9305 62.1003 70.2340 173.8115 122 F 5.4393 9.1829 125.3688 55.7087 42.6847 174.7927 123 V 4.9110 9.0011 120.3972 60.9488 34.8581 174.4606 124 A 4.6572 9.3092 130.5024 52.1110 19.1857 176.8076 125 V 4.9320 8.4128 115.7253 59.6334 35.8642 176.2097 126 D 4.8098 8.6854 123.0208 53.0449 41.2023 176.8833 127 N 4.5167 8.7481 114.4057 56.1652 38.8058 175.3629 128 N 4.6147 8.6200 114.1555 52.8212 38.8526 175.9355 129 G 3.9486 7.8808 105.3973 45.4451 0.0000 173.9881 130 R 4.3105 7.7964 119.1714 54.7449 31.1301 176.2561 131 S 4.7257 8.5631 116.9695 58.5384 63.6142 173.5585 132 R 4.7867 8.5618 119.0972 54.4536 32.5126 175.0309 133 T 4.2865 8.4497 117.5842 63.2659 69.1103 174.6204 134 I 3.8818 8.4850 128.9286 60.7151 37.7291 174.4207 135 P 4.3404 0.0000 0.0000 62.9264 31.6514 176.3500 136 R 4.3203 8.5015 120.8619 55.9308 31.6208 175.5565 137 E 4.2819 7.9438 120.1491 55.7802 30.4307 175.2265 138 N 4.5283 8.8509 123.9378 55.2110 37.2017 174.2831 139 N 4.7528 7.1762 114.3617 51.2069 38.7088 173.7099 140 Q 3.9624 8.3266 127.8600 58.7264 29.4100 177.3918 141 E 3.9783 8.2100 119.3527 59.1538 29.5170 178.8434 142 L 3.9399 8.4692 120.5758 58.1830 42.1229 178.6944 143 E 3.9447 8.3229 118.6723 59.3899 29.3953 179.3795 144 K 3.8975 8.2224 119.2304 59.4015 32.3013 178.6309 145 A 4.0029 8.0807 121.0261 55.3292 18.3326 179.6889 146 L 3.9803 8.3654 117.6101 57.7422 41.4676 179.5314 147 A 4.0302 8.0573 120.1741 55.0842 18.5882 179.3702 148 L 4.0959 8.1210 117.5605 57.8875 41.4633 179.7223 149 I 3.6959 7.5641 118.6370 64.5652 37.2674 178.4228 150 S 4.3429 7.9478 113.1702 60.3348 62.7107 174.6457 151 E 4.4736 7.9723 120.7303 56.4931 31.7073 176.2947 *152 Q 4.1415 8.0773 121.7635 55.1277 28.8774 180.4053 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 5 F 8.18 4.59 0.00 1.98 1.74 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 6 T 8.35 4.61 4.24 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 1.28 0.00 0.00 7 D 8.75 5.28 0.00 3.11 3.31 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 8 K 8.67 4.08 0.00 1.93 2.04 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.50 7.81 9 N 8.34 4.51 0.00 2.90 2.93 0.00 0.00 7.03 7.65 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 10 G 8.06 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 11 R 8.61 4.21 0.00 1.96 2.39 0.00 3.07 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 12 Q 8.54 5.13 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 13 S 7.62 4.21 0.00 2.72 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 14 K 9.48 4.42 0.00 1.65 1.76 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.38 7.81 15 G 8.92 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 16 V 8.15 4.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 17 L 8.41 3.34 0.00 1.25 1.42 0.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.84 4.38 0.00 1.43 1.67 0.91 0.83 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 19 L 7.44 4.76 0.00 1.41 1.40 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.57 4.89 0.00 1.74 1.78 0.00 3.22 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 21 T 9.00 4.83 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 1.49 0.00 0.00 22 L 8.68 4.83 0.00 1.57 1.63 0.95 0.88 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 23 A 9.06 3.79 1.20 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 0.00 0.00 24 M 8.74 4.69 0.00 1.84 1.97 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 2.51 2.84 0.00 25 P 0.00 4.10 0.00 2.13 2.09 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 26 S 7.86 4.41 0.00 3.96 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 27 D 7.72 4.36 0.00 1.84 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 28 T 7.37 4.51 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 1.20 0.00 0.00 29 N 8.86 4.28 0.00 2.57 2.34 0.00 0.00 7.27 7.24 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 30 A 8.19 3.94 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 31 N 8.07 4.37 0.00 2.64 2.93 0.00 0.00 7.09 7.98 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 32 G 8.22 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.12 4.84 0.00 2.88 2.62 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 34 I 8.32 4.15 2.10 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 1.06 0.00 0.00 35 F 8.60 4.98 0.00 3.16 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 36 G 8.80 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 0.00 0.00 0.00 37 G 8.17 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 38 W 6.13 3.91 0.00 2.61 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 39 I 7.49 3.24 2.03 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 1.69 0.77 1.02 0.00 0.00 40 M 8.30 4.15 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.78 0.00 41 S 8.17 4.02 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.54 3.72 0.00 1.72 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 1.21 1.16 0.00 43 M 7.91 3.83 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 44 D 7.67 3.50 0.00 2.92 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 45 M 7.70 4.03 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 46 G 8.26 3.65 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 0.00 0.00 0.00 47 G 8.31 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.79 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.26 3.49 1.90 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 1.31 1.00 0.83 0.00 0.00 50 L 7.65 4.01 0.00 1.63 1.67 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.60 3.87 0.84 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 0.00 0.00 52 K 7.99 3.95 0.00 1.74 1.90 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.66 7.81 53 E 7.90 3.94 0.00 2.17 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 2.31 2.45 0.00 54 I 7.51 3.92 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 0.90 0.00 0.00 55 A 8.23 4.08 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 56 H 8.21 4.03 0.00 3.31 3.39 0.00 5.82 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 57 G 7.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.00 4.06 0.00 1.90 1.98 0.00 3.13 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 59 V 8.24 5.10 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 0.74 0.00 0.00 0.73 0.00 0.00 60 V 8.83 4.71 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 0.75 0.00 0.00 0.99 0.00 0.00 61 T 8.66 4.60 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 1.22 0.00 0.00 62 V 8.73 4.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.99 0.00 0.00 63 A 7.48 4.66 1.10 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 64 V 7.83 4.37 1.74 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 -0.48 0.00 0.00 0.63 0.00 0.00 65 E 8.21 4.42 0.00 1.93 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 0.00 2.16 2.13 0.00 66 S 8.31 4.26 0.00 3.93 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 67 M 7.97 4.60 0.00 1.48 1.72 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 68 N 8.17 4.85 0.00 2.57 2.59 0.00 0.00 6.82 7.45 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 69 F 8.52 4.79 0.00 3.04 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 70 I 8.42 4.11 1.86 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 1.47 0.58 0.87 0.00 0.00 71 K 7.69 4.62 0.00 1.72 1.44 0.00 1.53 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 1.33 7.81 72 P 0.00 4.66 0.00 2.23 2.10 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 73 I 8.09 4.77 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 1.05 0.00 0.00 74 S 9.19 4.74 0.00 4.02 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 75 V 8.23 3.77 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 0.75 0.00 0.00 0.86 0.00 0.00 76 G 9.10 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 0.00 0.00 0.00 77 D 7.99 4.65 0.00 2.82 2.69 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 0.00 0.00 0.00 0.00 78 V 8.45 4.47 2.22 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 1.13 0.00 0.00 1.00 0.00 0.00 79 V 9.30 4.82 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 0.97 0.00 0.00 1.19 0.00 0.00 80 C 9.56 5.28 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 81 C 8.76 5.28 0.00 2.72 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 82 Y 9.35 5.07 0.00 3.00 3.06 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 0.00 0.00 0.00 0.00 83 G 9.22 4.53 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 0.00 0.00 0.00 84 Q 8.96 4.95 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 85 C 8.89 4.70 0.00 3.02 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 L 9.00 4.61 0.00 1.55 1.71 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.72 4.56 0.00 1.81 1.61 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.44 7.81 88 V 8.54 4.70 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 0.87 0.00 0.00 0.95 0.00 0.00 89 G 8.98 4.16 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 0.00 90 R 8.75 4.02 0.00 1.86 1.93 0.00 3.12 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 91 S 7.99 4.92 0.00 3.95 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 92 S 7.99 5.27 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 93 I 8.81 5.12 2.02 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 1.27 0.77 0.98 0.00 0.00 94 K 9.33 4.99 0.00 1.71 1.76 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 95 I 8.96 5.03 2.24 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 1.18 0.83 1.01 0.00 0.00 96 K 9.10 4.75 0.00 1.89 1.74 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.43 7.81 97 V 8.95 4.99 2.22 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 1.04 0.00 0.00 0.98 0.00 0.00 98 E 9.29 5.02 0.00 2.21 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 2.28 2.33 0.00 99 V 8.59 4.76 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 0.90 0.00 0.00 0.90 0.00 0.00 100 W 9.32 4.81 0.00 2.49 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 0.00 0.00 0.00 101 V 8.35 4.79 0.71 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 0.94 0.00 0.00 0.72 0.00 0.00 102 K 9.02 5.16 0.00 2.11 1.81 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.42 7.81 103 K 9.31 4.58 0.00 2.24 1.87 0.00 1.86 0.00 0.00 1.86 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.65 7.81 104 V 9.54 4.06 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 0.88 0.00 0.00 1.02 0.00 0.00 105 A 8.45 4.21 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 0.00 106 S 7.62 4.84 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.57 4.28 0.00 1.97 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 0.00 2.34 2.26 0.00 108 P 0.00 4.48 0.00 2.26 2.22 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 109 I 9.19 3.87 1.90 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 1.42 0.68 0.94 0.00 0.00 110 G 8.99 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 0.00 0.00 0.00 111 E 7.99 4.24 0.00 2.12 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 0.00 2.64 2.54 0.00 112 R 9.01 6.03 0.00 2.03 2.53 0.00 3.21 0.00 0.00 3.04 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 113 Y 8.33 5.02 0.00 2.93 3.04 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 0.00 114 C 7.96 3.71 0.00 1.23 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 0.00 0.00 0.00 0.00 115 V 8.25 3.90 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 1.05 0.00 0.00 1.01 0.00 0.00 116 T 7.40 4.67 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 1.18 0.00 0.00 117 D 7.92 5.23 0.00 2.75 2.52 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 0.00 118 A 8.76 4.46 1.03 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 0.00 0.00 119 V 8.81 4.50 2.22 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 0.94 0.00 0.00 0.96 0.00 0.00 120 F 9.50 4.79 0.00 2.85 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 0.00 0.00 0.00 121 T 8.36 4.87 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 1.21 0.00 0.00 122 F 9.18 5.44 0.00 2.96 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 0.00 123 V 9.00 4.91 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 1.08 0.00 0.00 0.97 0.00 0.00 124 A 9.31 4.66 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 0.00 125 V 8.41 4.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 126 D 8.69 4.81 0.00 2.87 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 0.00 127 N 8.75 4.52 0.00 2.74 2.93 0.00 0.00 6.71 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.62 4.61 0.00 2.70 2.84 0.00 0.00 7.09 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 0.00 129 G 7.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.80 4.31 0.00 2.25 1.86 0.00 3.14 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 131 S 8.56 4.73 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 0.00 132 R 8.56 4.79 0.00 1.74 1.90 0.00 3.07 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 133 T 8.45 4.29 4.24 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 1.21 0.00 0.00 134 I 8.48 3.88 1.87 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 1.29 0.47 0.88 0.00 0.00 135 P 0.00 4.34 0.00 2.14 2.06 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 136 R 8.50 4.32 0.00 1.80 1.99 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 137 E 7.94 4.28 0.00 2.03 1.81 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 2.32 2.34 0.00 138 N 8.85 4.53 0.00 2.88 2.91 0.00 0.00 6.99 7.79 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 0.00 139 N 7.18 4.75 0.00 2.82 2.62 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 0.00 140 Q 8.33 3.96 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 141 E 8.21 3.98 0.00 2.32 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 2.51 2.43 0.00 142 L 8.47 3.94 0.00 1.71 1.87 0.91 1.22 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 0.00 143 E 8.32 3.94 0.00 2.18 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 2.33 2.57 0.00 144 K 8.22 3.90 0.00 1.88 2.05 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 145 A 8.08 4.00 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 0.00 146 L 8.37 3.98 0.00 1.68 1.73 0.92 0.68 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 0.00 147 A 8.06 4.03 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 0.00 148 L 8.12 4.10 0.00 1.90 1.74 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.56 3.70 2.01 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 1.58 0.63 0.92 0.00 0.00 150 S 7.95 4.34 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.97 4.47 0.00 2.02 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 2.23 2.34 0.00 *152 Q 8.08 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.