NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1400 8.0549 120.3190 61.2557 32.9716 174.7065 4 R 4.1961 8.4738 121.6535 55.9447 31.1180 174.1217 5 S 5.4740 9.0807 119.0322 56.6518 67.3898 172.7388 6 L 4.9982 8.9316 124.0929 53.4029 45.0960 175.5413 7 N 5.5351 9.1803 122.9214 52.8820 40.2689 173.7252 8 C 5.1941 8.1641 113.1777 58.0132 32.3795 172.6875 9 T 5.0332 8.4502 111.5335 60.2093 71.4801 172.9548 10 L 5.3193 8.6106 121.8718 53.1803 44.5025 175.8734 11 R 5.0215 9.1525 122.2037 54.5675 34.0649 174.5505 12 D 4.5097 8.7512 125.2550 52.2338 41.1991 177.0510 13 S 4.1973 7.9822 112.2985 59.9748 62.8868 174.8237 14 Q 4.3592 8.4843 120.2036 55.5763 28.9192 176.2074 15 Q 4.0462 8.3006 117.9151 56.2170 28.3218 173.0621 16 K 4.2371 7.5762 116.3804 56.3545 33.0900 176.8059 17 S 5.0246 8.8822 120.8877 57.4757 65.5589 172.8877 18 L 5.2980 8.3336 120.9317 53.4839 44.1652 176.0895 19 V 4.7189 8.5921 114.8307 59.6646 36.7561 174.5154 20 M 4.0552 8.4935 122.7833 55.9712 31.6268 175.7599 21 S 4.1183 9.1432 122.3430 58.4722 63.1755 177.4723 22 G 4.2105 7.8850 112.4191 43.4829 0.0000 171.8442 23 P 4.0330 0.0000 0.0000 65.5661 31.1024 177.1963 24 Y 4.8285 7.5891 113.0625 58.4919 41.1691 173.9050 25 E 4.9142 8.1413 119.5467 54.5748 33.7282 174.7809 26 L 5.1606 8.5072 122.1697 53.3959 44.4679 175.5499 27 K 5.1644 9.4645 120.9106 54.5911 36.2172 174.8185 28 A 5.4170 8.6604 124.7450 50.2510 21.7948 175.5107 29 L 4.8126 8.5335 120.7614 54.6614 44.5042 174.7197 30 H 4.7904 9.0061 118.4953 55.7076 28.7329 174.9301 31 L 4.7964 8.2342 123.2393 53.2014 44.2748 175.6597 32 Q 4.4722 8.4645 120.2246 56.2076 32.4969 174.8452 33 G 3.9151 8.5509 107.0717 44.9597 0.0000 174.3594 34 Q 4.1183 8.5547 116.3960 58.3257 29.0599 177.3750 35 D 4.2992 8.0374 119.9645 57.0582 41.0478 177.2119 36 M 4.1221 7.4784 117.5277 58.1023 32.5002 177.1765 37 E 4.1102 8.3410 118.7969 59.6241 29.2701 178.6021 38 Q 4.2076 7.7279 114.7522 56.1122 29.0538 175.7814 39 Q 4.5605 7.1586 119.2157 54.8152 30.2008 175.5548 40 V 3.5326 7.9788 121.7371 62.9266 32.2597 175.1866 41 V 4.2621 8.0258 127.6586 61.5467 33.2679 174.6090 42 F 4.9334 8.9765 127.0209 56.7032 41.1603 175.0336 43 S 4.9663 8.7173 117.6197 57.3318 64.5836 172.7186 44 M 4.7736 8.7938 126.3512 54.5651 33.4690 174.7431 45 S 5.0212 8.7274 122.9072 56.9608 65.5636 173.9159 46 F 4.9417 8.9471 124.1178 57.0878 37.9210 175.5309 47 V 4.6202 7.9007 116.3324 59.0390 34.1875 175.6846 48 Q 4.0737 8.8890 121.5209 56.3854 28.8791 176.7187 49 G 3.8649 7.8847 109.6191 46.2465 0.0000 172.3444 50 E 4.2388 8.9724 123.2107 55.5089 28.9912 175.4802 51 E 4.8331 8.6360 122.4151 54.3553 31.3879 175.2455 52 S 4.8727 8.2460 117.4746 55.9497 65.5508 173.9200 53 N 4.4169 8.6787 117.4835 56.2087 38.5697 176.4803 54 D 4.4510 8.0067 117.5243 55.5016 41.6648 175.4079 55 K 4.6038 7.8236 119.8956 54.7268 34.9845 174.7871 56 I 5.0029 8.9691 129.6283 58.6529 40.2893 173.5213 57 P 5.0585 0.0000 0.0000 62.8611 32.8028 175.6718 58 V 4.9690 9.5025 115.5214 59.8122 36.4161 174.1720 59 A 5.2521 8.9582 124.4084 50.6229 21.9670 176.3747 60 L 4.7020 8.8705 120.4779 53.1914 43.5167 176.0396 61 G 3.8234 9.1229 112.0789 44.1673 0.0000 171.0888 62 L 4.1905 7.8954 120.4280 53.7257 42.6608 177.1632 63 K 3.6526 8.4288 122.7347 58.7649 31.6632 177.3465 64 E 4.7152 7.6278 120.7210 55.8847 30.4172 175.8484 65 K 4.5924 7.3840 114.9593 54.3942 36.2536 177.1065 66 N 4.7381 8.3025 120.6448 52.0262 35.9678 174.2461 67 L 5.3503 7.1536 119.4076 53.8572 46.3453 176.7307 68 Y 5.0944 8.8688 120.9896 55.7562 41.8599 175.0490 69 L 4.9572 8.9766 124.0351 55.0475 42.8387 176.3804 70 S 5.1187 9.5353 118.0514 56.4502 66.8839 172.5688 71 A 5.3710 8.4577 123.6368 50.4309 20.2742 176.7959 72 V 4.5399 8.9296 121.9867 59.8797 35.5590 174.7219 73 L 4.4693 8.6427 122.9777 54.7135 42.0476 177.2403 74 K 4.3048 8.8676 124.4712 55.2041 33.2724 175.9035 75 D 4.4524 8.2841 127.4908 55.5571 36.9753 174.9195 76 D 4.6161 8.1604 111.8923 55.0708 38.9831 174.1052 77 K 4.2812 7.2054 117.3000 53.4578 35.4243 174.1888 78 P 3.9400 0.0000 0.0000 63.0867 31.5422 175.9043 79 T 4.7326 8.9366 120.4833 61.6039 72.9473 172.7093 80 L 5.0100 8.7865 128.0974 54.5643 42.9104 175.5778 81 Q 4.8591 9.1175 123.6778 54.2427 32.7124 174.0943 82 L 4.9322 8.6498 120.1191 54.2267 42.8798 175.8026 83 E 4.8272 9.5832 125.3409 54.1033 32.3710 175.2496 84 S 4.8867 8.9899 123.1778 59.0391 63.4451 173.9213 85 V 4.4531 8.3094 116.9343 58.8021 35.5838 175.1042 86 D 4.3743 8.7493 121.9268 54.3149 41.0570 175.1334 87 P 4.6870 0.0000 0.0000 63.8386 31.7058 176.9753 88 K 4.2861 8.9299 118.9075 57.8007 32.5869 177.1035 89 N 4.7125 8.0664 113.7017 53.1356 39.2718 174.4252 90 Y 4.5123 7.6122 115.5610 55.3056 41.4697 173.3663 91 P 4.7631 0.0000 0.0000 61.8542 33.0243 174.8929 92 K 4.6012 7.8518 117.0855 54.1187 35.6742 176.8102 93 K 4.0445 8.5618 121.6171 59.1846 32.3541 176.5637 94 K 4.5430 7.5239 121.1035 55.0742 30.6070 175.4859 95 M 4.3851 7.8654 122.4495 54.0200 33.2606 176.3609 96 E 4.1676 8.7760 120.2194 56.0817 30.5945 178.1958 97 K 3.7493 8.7278 123.5197 59.4771 32.5234 179.0260 98 R 3.5891 7.7232 114.7498 58.7792 29.2032 177.6026 99 F 4.9302 7.7950 114.3580 56.7818 39.3815 175.0237 100 V 4.5439 7.4319 122.5473 61.1039 33.5443 174.3280 101 F 5.4382 8.9939 126.2003 55.7720 42.1768 174.5349 102 N 5.0650 9.4487 121.5339 52.3214 39.6273 174.4130 103 K 4.2056 9.1889 127.7004 56.0017 33.6304 175.6016 104 I 5.4678 8.2112 128.6927 58.8148 39.8248 174.5180 105 E 4.7039 8.7777 127.3716 55.0322 30.2219 177.4174 106 I 4.4711 8.1538 126.2921 59.6022 38.1884 174.2057 107 N 4.0546 8.0191 121.1972 54.2252 34.4770 175.0343 108 N 4.3038 8.0018 110.6031 53.6872 37.5034 174.5049 109 K 4.8733 7.4211 116.3374 54.6712 35.5141 175.0196 110 L 5.1240 8.8649 122.2066 53.1638 44.5967 175.4359 111 E 5.1211 8.5172 121.4041 54.6751 33.2378 175.3412 112 F 5.1612 8.9034 121.6655 55.7898 41.1428 173.4791 113 E 4.5553 9.1403 125.9123 55.0589 30.6779 175.3074 114 S 4.3861 9.3017 122.4961 58.0121 62.9396 174.7287 115 A 3.9812 8.3751 129.5991 55.1679 18.2033 178.7641 116 Q 3.5424 7.2880 112.8733 58.0411 29.3683 175.6900 117 F 4.8510 8.3347 119.0905 54.6744 39.6745 172.8492 118 P 4.6293 0.0000 0.0000 63.7270 31.5715 176.5218 119 N 4.1776 9.8529 118.6503 53.8413 36.8406 173.1411 120 W 5.0730 8.0755 118.8545 55.6233 31.1330 175.0631 121 Y 5.3203 9.2753 121.7557 55.7526 41.5526 175.0907 122 I 4.2408 8.6442 123.9257 62.3144 37.6860 175.7643 123 S 5.0847 8.9962 122.9985 56.7540 67.0155 173.2118 124 T 4.9965 8.4591 111.9538 59.6968 72.1248 173.7679 125 S 4.7673 8.8271 117.8548 58.1788 63.6903 174.6775 126 Q 4.0326 8.6933 123.6525 58.9688 29.1236 177.0433 127 A 4.2630 7.9511 119.3665 51.4574 19.2967 176.2785 128 E 3.7600 8.4828 119.6383 57.3357 30.3322 177.6770 129 N 4.3294 8.7171 118.1371 54.4916 36.9886 174.1038 130 M 4.6733 7.4260 118.0385 53.2422 34.5633 173.9778 131 P 5.0635 0.0000 0.0000 62.2606 32.5055 176.6663 132 V 4.1373 8.2965 123.8425 63.3901 31.9586 175.1166 133 F 5.2516 8.6559 121.9366 54.7767 42.0716 173.3897 134 L 4.8959 8.9341 121.7817 54.5939 42.6822 175.9022 135 G 4.3990 9.7536 114.0296 44.5966 0.0000 173.2967 136 G 2.7127 8.2157 109.9832 44.2651 0.0000 173.3742 137 T 4.2707 7.2235 113.9027 59.6272 67.8762 172.7094 138 K 3.9908 8.1827 128.1059 55.6939 32.8940 176.0506 139 G 2.9829 10.0918 110.4052 46.1853 0.0000 173.4630 140 G 3.9910 8.1037 116.3879 46.6828 0.0000 171.5493 141 Q 4.3415 7.6833 115.1638 56.7632 30.8621 174.7986 142 D 4.8483 7.7954 119.0117 52.0876 42.6944 176.0684 143 I 4.0739 8.4313 123.4165 60.9996 37.7629 176.5405 144 T 4.9366 8.3404 113.8658 61.2011 69.8013 173.2597 145 D 5.4939 7.6766 121.6144 51.9413 43.1054 174.7341 146 F 4.9488 9.1713 117.4823 56.2347 43.8986 173.9517 147 T 4.8742 9.1125 111.8163 60.6334 71.4491 172.9557 148 M 5.1328 8.5199 122.0034 53.9094 34.7945 174.5275 149 Q 4.7331 8.5709 124.4499 54.0499 31.8451 175.1478 150 F 4.9415 8.9695 121.8909 57.4035 40.1043 175.2574 151 V 4.4821 7.9986 113.3265 59.8368 34.5408 177.0047 152 S 4.4862 8.7015 121.0143 57.7104 61.3988 174.6078 153 S 4.3569 8.1796 117.9700 58.2448 63.0793 175.0488 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 3 V 8.05 4.14 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 0.96 0.00 0.00 1.06 0.00 0.00 4 R 8.47 4.20 0.00 2.00 1.98 0.00 3.07 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 5 S 9.08 5.47 0.00 3.80 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 6 L 8.93 5.00 0.00 2.09 1.69 1.11 1.51 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 7 N 9.18 5.54 0.00 2.76 2.75 0.00 0.00 7.21 7.66 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 8 C 8.16 5.19 0.00 2.88 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 9 T 8.45 5.03 4.29 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 1.22 0.00 0.00 10 L 8.61 5.32 0.00 1.53 1.64 0.82 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.15 5.02 0.00 1.87 1.74 0.00 3.11 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 12 D 8.75 4.51 0.00 2.20 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.20 0.00 3.90 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 14 Q 8.48 4.36 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.81 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 15 Q 8.30 4.05 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 16 K 7.58 4.24 0.00 1.95 1.72 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.86 1.22 7.81 17 S 8.88 5.02 0.00 3.80 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 18 L 8.33 5.30 0.00 1.74 1.64 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.59 4.72 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 0.80 0.00 0.00 0.93 0.00 0.00 20 M 8.49 4.06 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 21 S 9.14 4.12 0.00 3.87 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 22 G 7.89 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 23 P 0.00 4.03 0.00 1.57 1.99 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 24 Y 7.59 4.83 0.00 2.97 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 25 E 8.14 4.91 0.00 2.00 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 0.00 2.36 2.37 0.00 26 L 8.51 5.16 0.00 1.66 1.63 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.46 5.16 0.00 1.64 1.69 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 A 8.66 5.42 1.27 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 0.00 0.00 29 L 8.53 4.81 0.00 1.89 1.74 0.93 0.96 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 30 H 9.01 4.79 0.00 3.09 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.23 4.80 0.00 1.61 1.56 0.99 0.91 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 32 Q 8.46 4.47 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 33 G 8.55 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.55 4.12 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 35 D 8.04 4.30 0.00 2.88 2.71 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 36 M 7.48 4.12 0.00 2.17 2.22 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 2.62 2.60 0.00 37 E 8.34 4.11 0.00 2.20 2.32 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 2.36 2.32 0.00 38 Q 7.73 4.21 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 39 Q 7.16 4.56 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 40 V 7.98 3.53 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 -0.07 0.00 0.00 0.78 0.00 0.00 41 V 8.03 4.26 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 42 F 8.98 4.93 0.00 2.92 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 43 S 8.72 4.97 0.00 3.92 4.19 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 44 M 8.79 4.77 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.89 0.00 45 S 8.73 5.02 0.00 3.82 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 46 F 8.95 4.94 0.00 2.96 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 47 V 7.90 4.62 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 0.74 0.00 0.00 0.93 0.00 0.00 48 Q 8.89 4.07 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 49 G 7.88 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 0.00 0.00 0.00 50 E 8.97 4.24 0.00 1.98 1.95 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 2.30 2.29 0.00 51 E 8.64 4.83 0.00 2.20 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 2.19 2.27 0.00 52 S 8.25 4.87 0.00 3.88 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 53 N 8.68 4.42 0.00 2.76 2.87 0.00 0.00 6.84 8.06 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 54 D 8.01 4.45 0.00 2.75 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 55 K 7.82 4.60 0.00 1.79 1.67 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 56 I 8.97 5.00 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.07 1.17 0.00 0.00 57 P 0.00 5.06 0.00 2.17 2.21 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.01 0.00 58 V 9.50 4.97 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 0.58 0.00 0.00 1.11 0.00 0.00 59 A 8.96 5.25 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 60 L 8.87 4.70 0.00 1.37 1.27 -0.24 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.12 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 62 L 7.90 4.19 0.00 1.41 1.33 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.43 3.65 0.00 1.80 1.71 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.48 7.81 64 E 7.63 4.72 0.00 1.85 1.80 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 2.15 2.32 0.00 65 K 7.38 4.59 0.00 1.62 1.54 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.19 7.81 66 N 8.30 4.74 0.00 2.94 3.00 0.00 0.00 5.89 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.15 5.35 0.00 1.41 1.50 0.72 0.93 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 68 Y 8.87 5.09 0.00 2.69 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 69 L 8.98 4.96 0.00 1.86 1.82 0.64 0.76 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 70 S 9.54 5.12 0.00 3.50 3.49 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 71 A 8.46 5.37 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 72 V 8.93 4.54 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 0.89 0.00 0.00 0.85 0.00 0.00 73 L 8.64 4.47 0.00 1.60 1.65 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.87 4.30 0.00 1.61 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 75 D 8.28 4.45 0.00 2.92 2.88 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 0.00 0.00 0.00 76 D 8.16 4.62 0.00 2.77 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 77 K 7.21 4.28 0.00 1.66 1.52 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.35 7.81 78 P 0.00 3.94 0.00 0.49 0.49 0.00 2.25 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 79 T 8.94 4.73 4.37 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 1.25 0.00 0.00 80 L 8.79 5.01 0.00 1.81 1.73 1.19 0.74 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 81 Q 9.12 4.86 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 82 L 8.65 4.93 0.00 1.95 1.86 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.58 4.83 0.00 2.21 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 2.28 2.30 0.00 84 S 8.99 4.89 0.00 3.88 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 85 V 8.31 4.45 1.70 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 0.18 0.00 0.00 0.67 0.00 0.00 86 D 8.75 4.37 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.69 0.00 2.26 2.19 0.00 3.86 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 2.02 2.01 0.00 88 K 8.93 4.29 0.00 1.92 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.57 7.81 89 N 8.07 4.71 0.00 2.78 2.58 0.00 0.00 6.76 7.04 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 90 Y 7.61 4.51 0.00 2.98 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 91 P 0.00 4.76 0.00 2.24 2.25 0.00 3.80 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 2.03 2.11 0.00 92 K 7.85 4.60 0.00 1.55 1.57 0.00 1.52 0.00 0.00 1.29 0.00 0.00 2.24 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.04 0.65 7.81 93 K 8.56 4.04 0.00 1.79 1.79 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.46 7.81 94 K 7.52 4.54 0.00 1.73 1.68 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.43 7.81 95 M 7.87 4.39 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 96 E 8.78 4.17 0.00 2.31 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 2.47 2.41 0.00 97 K 8.73 3.75 0.00 1.67 1.86 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.34 7.81 98 R 7.72 3.59 0.00 1.84 1.84 0.00 2.65 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.53 0.00 99 F 7.80 4.93 0.00 3.12 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 0.00 100 V 7.43 4.54 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 0.94 0.00 0.00 0.97 0.00 0.00 101 F 8.99 5.44 0.00 3.21 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 0.00 102 N 9.45 5.06 0.00 2.68 2.81 0.00 0.00 6.44 7.70 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 0.00 103 K 9.19 4.21 0.00 1.88 1.83 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 0.88 7.81 104 I 8.21 5.47 1.86 0.00 0.00 1.00 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 0.75 0.92 0.00 0.00 105 E 8.78 4.70 0.00 1.85 1.89 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 2.27 2.33 0.00 106 I 8.15 4.47 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.58 0.88 0.00 0.00 107 N 8.02 4.05 0.00 3.01 2.95 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.00 4.30 0.00 2.85 2.93 0.00 0.00 7.10 7.61 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 0.00 109 K 7.42 4.87 0.00 1.71 1.67 0.00 1.59 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 110 L 8.86 5.12 0.00 1.59 1.05 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.52 5.12 0.00 1.91 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 2.29 2.20 0.00 112 F 8.90 5.16 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.14 4.56 0.00 2.05 1.80 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 2.10 1.51 0.00 114 S 9.30 4.39 0.00 3.90 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 0.00 115 A 8.38 3.98 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 0.00 116 Q 7.29 3.54 0.00 1.77 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 117 F 8.33 4.85 0.00 2.98 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 0.00 118 P 0.00 4.63 0.00 2.13 2.03 0.00 3.92 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 2.07 2.11 0.00 119 N 9.85 4.18 0.00 3.00 3.00 0.00 0.00 6.73 8.19 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 0.00 120 W 8.08 5.07 0.00 3.50 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 0.00 121 Y 9.28 5.32 0.00 2.88 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 0.00 122 I 8.64 4.24 1.77 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.36 0.64 0.00 0.00 123 S 9.00 5.08 0.00 2.72 3.21 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 0.00 124 T 8.46 5.00 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 1.32 0.00 0.00 125 S 8.83 4.77 0.00 4.00 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 0.00 126 Q 8.69 4.03 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 127 A 7.95 4.26 1.27 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 0.00 0.00 128 E 8.48 3.76 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 129 N 8.72 4.33 0.00 2.91 2.94 0.00 0.00 6.92 7.00 0.00 0.00 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 M 7.43 4.67 0.00 1.93 2.04 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 2.57 2.93 0.00 131 P 0.00 5.06 0.00 2.06 2.07 0.00 3.72 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 2.06 2.13 0.00 132 V 8.30 4.14 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 0.80 0.00 0.00 1.02 0.00 0.00 133 F 8.66 5.25 0.00 3.24 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 0.00 134 L 8.93 4.90 0.00 1.97 1.94 1.25 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.75 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 0.00 0.00 0.00 0.00 136 G 8.22 2.71 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 0.00 137 T 7.22 4.27 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 1.10 0.00 0.00 138 K 8.18 3.99 0.00 1.65 1.54 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.89 1.02 7.81 139 G 10.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.10 3.99 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 0.00 0.00 0.00 141 Q 7.68 4.34 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.55 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 142 D 7.80 4.85 0.00 2.79 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 0.00 143 I 8.43 4.07 1.71 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 1.26 0.63 0.61 0.00 0.00 144 T 8.34 4.94 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 1.12 0.00 0.00 145 D 7.68 5.49 0.00 2.70 2.70 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 0.00 146 F 9.17 4.95 0.00 3.14 3.03 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 0.00 147 T 9.11 4.87 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 1.23 0.00 0.00 148 M 8.52 5.13 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 149 Q 8.57 4.73 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 150 F 8.97 4.94 0.00 2.91 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 0.00 151 V 8.00 4.48 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 0.72 0.00 0.00 0.98 0.00 0.00 152 S 8.70 4.49 0.00 3.88 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 0.00 153 S 8.18 4.36 0.00 4.01 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