NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4179 8.3349 115.4141 58.1474 64.1036 173.0659 1 M 4.0359 8.5863 126.0040 53.8108 32.4237 174.9187 2 A 4.2475 9.1996 128.1230 52.1473 20.2891 176.5847 3 T 4.5254 8.3023 116.9814 63.6592 69.4648 174.1757 4 K 4.7846 9.1801 124.0389 54.6502 36.4324 174.8460 5 I 4.7558 7.9282 120.5011 58.8619 41.2898 175.5117 6 D 4.6062 8.9226 128.8607 52.8463 40.1085 176.8785 7 K 3.8363 8.2227 125.6259 58.8598 32.3941 178.1641 8 E 3.8585 8.1106 118.8098 59.2715 29.7993 178.6696 9 A 4.0256 8.1547 120.5460 55.3990 18.4831 179.4290 10 C 4.4039 8.4437 115.6483 63.1273 28.0956 176.5191 11 R 3.9380 8.5374 119.7708 59.2187 29.6413 178.9742 12 A 4.0175 8.0900 120.1542 55.0368 17.9445 179.6089 13 A 3.9907 8.0936 118.8702 55.3708 18.0486 179.0841 14 Y 4.2549 8.4135 118.1091 61.1757 38.8724 178.1389 15 N 4.0908 8.5803 117.5613 56.1327 38.4072 176.7974 16 L 3.9264 7.7631 120.6630 58.5895 42.1621 179.1544 17 V 4.0980 7.3469 117.3232 65.4382 31.5566 177.8808 18 R 4.1380 7.4624 116.4795 57.3861 30.4448 176.7762 19 D 4.4151 7.8149 119.6520 54.3676 41.5396 176.4949 20 D 4.5928 8.7748 125.6459 55.9669 41.2118 176.9390 21 G 3.9714 8.8180 108.2792 45.1869 0.0000 173.3678 22 S 4.6625 7.7609 113.3270 56.3318 64.5829 173.4986 23 A 4.5321 8.5094 128.3172 51.8041 18.8989 176.3967 24 V 4.1428 7.9724 120.6167 62.8012 32.1350 176.0491 25 I 4.4151 8.2279 121.3402 60.7872 39.3831 175.3283 26 W 5.6926 7.4856 119.8729 55.0463 31.6911 174.4256 27 V 5.0110 8.8828 114.6941 60.0088 35.4932 174.3479 28 T 5.1470 8.4555 112.3035 59.9645 72.6348 172.7288 29 F 5.5142 9.4592 120.7424 55.7374 42.6891 174.4952 30 K 5.3180 9.6285 122.3358 55.2253 36.3923 174.2925 31 Y 4.8442 8.8121 117.5885 57.1118 39.8154 174.8604 32 D 4.9884 9.5809 125.3263 52.6465 42.0802 177.0663 33 G 4.1765 8.2927 118.9003 46.2292 0.0000 171.9796 34 S 5.0384 8.9075 118.5861 57.9817 64.4309 171.5573 35 T 4.9767 7.9365 117.2788 62.4168 71.0066 173.5376 36 I 4.4328 8.7776 128.1499 61.0226 38.4815 175.6143 37 V 4.9686 8.9794 119.6891 58.6399 36.5335 173.1650 38 P 4.7634 0.0000 0.0000 63.0234 31.5960 177.2193 39 G 4.5384 8.5448 111.5783 44.6172 0.0000 172.6987 40 E 4.4344 8.9610 121.4047 57.2588 30.9919 176.0973 41 Q 3.8851 7.7952 118.2765 54.7185 33.3051 173.9649 42 G 3.5482 6.4450 106.6818 45.9485 0.0000 173.9024 43 A 4.5000 8.6843 121.5957 52.4058 20.1172 177.1373 44 E 4.7925 8.1697 116.0268 54.5184 31.8071 176.0157 45 Y 4.0623 8.9932 124.9993 60.9644 38.6688 177.8320 46 Q 3.7612 8.2024 119.7943 59.6579 28.8305 178.1160 47 H 4.6042 7.7781 117.0762 57.8691 28.8996 177.3773 48 F 2.4434 7.2496 122.7234 60.6433 39.0421 177.0593 49 I 2.5683 6.6314 118.7304 64.2633 36.5998 178.1825 50 Q 3.8168 7.3045 118.2232 58.5454 28.1853 178.6618 51 Q 3.9193 7.2041 118.5148 57.6472 30.0326 176.7864 52 C 3.7121 6.5033 119.0332 58.4815 26.3502 173.3821 53 T 4.2196 7.3660 119.4369 63.0057 69.5412 175.7108 54 D 4.8029 8.7440 122.3574 56.2084 40.9942 177.4283 55 D 4.8034 8.0410 118.0583 54.1055 41.8530 175.9769 56 V 4.7807 7.7032 119.0858 59.5703 35.1551 174.6059 57 R 5.1218 8.4624 117.2865 54.4648 31.8877 174.4494 58 L 4.8882 9.0406 121.4493 55.0541 44.6064 173.9565 59 F 5.6756 9.5910 117.5249 56.0291 42.6194 174.5918 60 A 5.3634 9.7613 121.9782 50.5808 23.3732 174.8700 61 F 5.6116 9.3915 122.1781 56.5794 42.4445 174.1261 62 V 4.6465 8.5653 125.5324 60.9590 35.1214 174.0724 63 R 4.2735 8.6183 128.1251 54.8305 30.8433 175.2124 64 F 4.5608 8.9884 126.1143 56.2462 41.5662 175.2166 65 T 4.8202 8.4113 119.1954 62.4751 69.5929 174.0387 66 T 4.6372 9.5960 116.1477 59.4399 73.0964 171.2539 67 G 3.5827 8.5236 107.7486 44.0949 0.0000 173.2648 68 D 4.3082 8.6408 126.5059 56.0405 39.0973 176.3908 69 A 4.5195 8.1400 123.2162 50.3179 20.9187 176.9903 70 M 4.0795 8.5425 115.5527 58.2121 32.3559 176.7826 71 S 4.5326 7.1635 111.9644 56.8170 62.2818 173.9070 72 K 4.4304 8.2460 124.7706 56.1710 33.1715 176.7230 73 R 4.6292 9.2456 122.9934 54.5366 33.2860 174.6413 74 S 4.7497 8.7642 122.4062 58.4605 63.9316 173.6823 75 K 4.6633 9.0225 123.0228 54.6489 35.8873 175.1618 76 F 5.2767 9.0305 122.1589 55.9280 41.6722 174.5526 77 A 5.5204 9.1913 123.7280 50.2465 22.7959 174.4513 78 L 5.2616 8.5627 122.6367 53.6125 44.4577 175.2680 79 I 5.2679 9.2505 126.7755 59.9822 41.0351 174.3578 80 T 4.9137 9.2523 124.2404 61.8297 70.4442 173.2174 81 W 5.2412 9.2430 135.0000 55.7553 32.6281 174.7200 82 I 4.1273 7.7839 128.2442 58.6696 39.1164 175.0223 83 G 3.4455 8.0951 115.1600 46.1978 0.0000 172.6539 84 E 3.8902 8.7890 123.5317 58.6679 29.7496 177.2790 85 N 4.7074 8.3537 114.2899 52.7410 38.8103 175.2084 86 V 3.6904 7.4943 119.8593 62.1049 32.2377 176.6842 87 S 4.3173 8.5870 122.0292 58.2696 64.7000 175.2398 88 G 3.8162 8.7088 111.1759 48.4368 0.0000 175.7315 89 L 3.9966 7.8681 121.3137 57.5818 41.7306 179.6548 90 Q 4.0165 7.7444 116.2012 58.4207 28.5817 178.6161 91 R 3.8102 8.1162 120.2956 59.0674 30.0662 178.4585 92 A 3.9458 7.8274 120.1934 55.0844 18.4803 179.3110 93 K 3.8604 7.9644 118.2089 60.1109 32.2650 179.0870 94 T 4.3142 7.5451 117.2523 66.1991 68.2169 176.7463 95 G 3.9343 8.0093 106.5528 48.0889 0.0000 175.0876 96 T 4.3208 8.0915 110.8535 63.2809 69.3063 176.4647 97 D 4.6254 8.3264 122.0487 56.3466 40.7706 178.3144 98 K 3.9263 7.9624 118.8996 59.9479 32.2308 179.2147 99 T 3.8657 7.3863 109.1399 64.2865 68.9633 176.2290 100 L 3.9699 7.7458 123.4790 58.0476 42.1696 179.0638 101 V 3.2119 7.3220 117.6506 65.5952 31.2045 177.4314 102 K 4.4418 7.7831 117.6803 57.5249 31.9384 178.4995 103 E 3.9952 7.8011 119.0392 58.2151 29.3797 178.3823 104 V 3.7899 7.0125 116.6331 63.8723 33.3012 177.0889 105 V 2.6859 7.2329 121.8115 61.5283 29.6767 176.0209 106 Q 4.0429 7.2529 122.3054 56.9561 29.4851 176.3622 107 N 4.8503 7.9008 114.9461 51.1818 41.3036 173.6433 108 F 5.1446 7.6441 114.8334 55.9332 40.3667 173.9009 109 A 4.4044 9.5725 125.4238 55.0310 18.9606 178.1955 110 K 4.9637 8.4048 112.6796 55.0902 36.8814 175.1088 111 E 5.1472 8.7626 120.3741 54.6569 32.1160 175.0480 112 F 5.0104 9.5898 120.0910 55.7736 43.3657 174.5775 113 V 4.8293 8.6526 120.2050 61.5240 33.7272 174.5256 114 I 4.8090 9.2422 129.4176 59.7795 40.2060 176.6022 115 S 3.9395 8.8379 118.9729 56.3816 64.8373 173.1233 116 D 4.8440 7.8979 121.2036 52.1744 41.9497 176.2599 117 R 3.8115 8.9993 127.7307 59.6736 29.3808 178.2004 118 K 3.9771 8.4570 117.9728 58.9864 31.7554 178.3517 119 E 3.2498 7.9729 117.0894 57.2647 29.6075 177.4390 120 L 4.3427 7.5012 118.1728 55.7152 42.4094 177.7811 121 E 4.1729 7.7667 119.7399 56.2954 30.8737 177.5304 122 E 3.8359 9.1907 122.3473 59.6385 29.5654 179.0988 123 D 4.3326 8.1387 119.4965 56.2150 39.3155 178.3599 124 F 3.9502 8.1246 121.4304 60.9981 39.6512 176.7155 125 I 3.4393 7.9122 119.4794 64.6174 36.6676 178.6426 126 K 3.8045 7.8691 118.0679 59.1784 31.7349 179.3319 127 S 4.1717 7.8655 114.6874 61.3987 62.9645 176.4800 128 E 3.8675 7.8641 122.2008 58.9671 28.9849 179.1464 129 L 4.1507 7.7717 118.0794 57.0646 41.7299 178.7215 130 K 4.2268 7.4646 116.1451 57.0402 32.2932 177.0338 131 K 4.1445 7.7470 124.1088 56.5016 32.1216 176.4352 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 0 S 8.33 4.42 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.59 4.04 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 2 A 9.20 4.25 1.26 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 3 T 8.30 4.53 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 1.37 0.00 0.00 4 K 9.18 4.78 0.00 1.65 1.66 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 5 I 7.93 4.76 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.90 0.80 0.00 0.00 6 D 8.92 4.61 0.00 2.75 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 7 K 8.22 3.84 0.00 1.78 1.77 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.43 7.81 8 E 8.11 3.86 0.00 2.02 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 0.00 2.38 2.38 0.00 9 A 8.15 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.44 4.40 0.00 2.91 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 11 R 8.54 3.94 0.00 2.02 2.01 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 12 A 8.09 4.02 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 13 A 8.09 3.99 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 14 Y 8.41 4.25 0.00 2.98 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 15 N 8.58 4.09 0.00 2.96 2.84 0.00 0.00 6.70 7.14 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 16 L 7.76 3.93 0.00 1.84 2.06 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.35 4.10 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 1.21 0.00 0.00 1.20 0.00 0.00 18 R 7.46 4.14 0.00 1.75 1.75 0.00 2.21 0.00 0.00 2.72 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.37 0.00 19 D 7.81 4.42 0.00 2.86 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 20 D 8.77 4.59 0.00 2.72 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 21 G 8.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.76 4.66 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 23 A 8.51 4.53 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 24 V 7.97 4.14 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 0.83 0.00 0.00 0.80 0.00 0.00 25 I 8.23 4.42 1.92 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 1.40 0.97 0.86 0.00 0.00 26 W 7.49 5.69 0.00 3.14 2.96 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 27 V 8.88 5.01 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 0.73 0.00 0.00 1.03 0.00 0.00 28 T 8.46 5.15 4.44 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 1.64 0.00 0.00 29 F 9.46 5.51 0.00 3.28 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 30 K 9.63 5.32 0.00 1.91 2.06 0.00 1.41 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 31 Y 8.81 4.84 0.00 3.03 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 32 D 9.58 4.99 0.00 2.74 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 33 G 8.29 4.18 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 0.00 0.00 0.00 34 S 8.91 5.04 0.00 3.99 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 35 T 7.94 4.98 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 36 I 8.78 4.43 1.66 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.11 0.79 0.00 0.00 37 V 8.98 4.97 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 0.81 0.00 0.00 1.06 0.00 0.00 38 P 0.00 4.76 0.00 1.98 2.01 0.00 3.71 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 2.18 2.31 0.00 39 G 8.54 4.54 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 40 E 8.96 4.43 0.00 2.32 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 2.52 2.64 0.00 41 Q 7.80 3.89 0.00 1.52 1.59 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 2.07 2.33 0.00 42 G 6.45 3.55 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 0.00 0.00 0.00 43 A 8.68 4.50 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 44 E 8.17 4.79 0.00 2.15 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 2.36 2.34 0.00 45 Y 8.99 4.06 0.00 3.03 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 46 Q 8.20 3.76 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 47 H 7.78 4.60 0.00 3.74 3.57 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.25 2.44 0.00 1.51 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 0.00 0.00 0.00 0.00 49 I 6.63 2.57 1.57 0.00 0.00 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 1.12 -0.30 0.52 0.00 0.00 50 Q 7.30 3.82 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 51 Q 7.20 3.92 0.00 1.63 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.41 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 52 C 6.50 3.71 0.00 1.79 1.18 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 53 T 7.37 4.22 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 1.26 0.00 0.00 54 D 8.74 4.80 0.00 2.79 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 55 D 8.04 4.80 0.00 2.68 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 56 V 7.70 4.78 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 1.20 0.00 0.00 1.03 0.00 0.00 57 R 8.46 5.12 0.00 1.64 1.77 0.00 2.99 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 58 L 9.04 4.89 0.00 2.10 1.97 1.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.59 5.68 0.00 3.42 3.23 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 60 A 9.76 5.36 1.18 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 0.00 0.00 61 F 9.39 5.61 0.00 3.52 3.22 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 0.00 62 V 8.57 4.65 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 -0.04 0.00 0.00 0.59 0.00 0.00 63 R 8.62 4.27 0.00 1.63 1.59 0.00 3.54 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.00 64 F 8.99 4.56 0.00 3.03 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 65 T 8.41 4.82 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 1.18 0.00 0.00 66 T 9.60 4.64 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 1.19 0.00 0.00 67 G 8.52 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.64 4.31 0.00 2.77 2.79 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 69 A 8.14 4.52 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 70 M 8.54 4.08 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 71 S 7.16 4.53 0.00 3.88 3.83 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 72 K 8.25 4.43 0.00 1.63 1.82 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.37 7.81 73 R 9.25 4.63 0.00 1.76 1.71 0.00 3.26 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 74 S 8.76 4.75 0.00 3.69 3.28 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 75 K 9.02 4.66 0.00 1.63 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 76 F 9.03 5.28 0.00 3.24 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 77 A 9.19 5.52 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.56 5.26 0.00 1.56 0.84 1.19 0.55 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 79 I 9.25 5.27 2.09 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 1.30 0.67 1.20 0.00 0.00 80 T 9.25 4.91 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 1.14 0.00 0.00 81 W 9.24 5.24 0.00 3.43 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 82 I 7.78 4.13 1.54 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 0.95 0.92 0.69 0.00 0.00 83 G 8.10 3.45 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 0.00 84 E 8.79 3.89 0.00 1.84 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 2.26 2.29 0.00 85 N 8.35 4.71 0.00 2.86 2.79 0.00 0.00 6.95 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 86 V 7.49 3.69 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 0.66 0.00 0.00 0.86 0.00 0.00 87 S 8.59 4.32 0.00 4.05 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 88 G 8.71 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 89 L 7.87 4.00 0.00 1.67 1.72 0.91 0.84 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 90 Q 7.74 4.02 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 91 R 8.12 3.81 0.00 1.78 2.03 0.00 3.03 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 92 A 7.83 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 93 K 7.96 3.86 0.00 2.00 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.67 1.54 7.81 94 T 7.55 4.31 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 1.11 0.00 0.00 95 G 8.01 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 96 T 8.09 4.32 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 1.24 0.00 0.00 97 D 8.33 4.63 0.00 3.34 2.87 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 98 K 7.96 3.93 0.00 2.21 2.48 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.74 1.53 7.81 99 T 7.39 3.87 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 1.23 0.00 0.00 100 L 7.75 3.97 0.00 1.73 1.79 0.84 0.80 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 0.00 101 V 7.32 3.21 1.68 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 0.44 0.00 0.00 -0.25 0.00 0.00 102 K 7.78 4.44 0.00 1.75 1.92 0.00 1.91 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.65 1.40 7.81 103 E 7.80 4.00 0.00 1.93 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 2.50 0.00 104 V 7.01 3.79 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 0.47 0.00 0.00 0.69 0.00 0.00 105 V 7.23 2.69 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 0.97 0.00 0.00 0.56 0.00 0.00 106 Q 7.25 4.04 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.45 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 107 N 7.90 4.85 0.00 2.78 2.71 0.00 0.00 6.85 7.55 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 0.00 108 F 7.64 5.14 0.00 3.52 3.53 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 0.00 109 A 9.57 4.40 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.40 4.96 0.00 1.71 1.32 0.00 1.52 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.32 7.81 111 E 8.76 5.15 0.00 1.62 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 2.20 2.28 0.00 112 F 9.59 5.01 0.00 3.08 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 0.00 113 V 8.65 4.83 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 0.85 0.00 0.00 1.02 0.00 0.00 114 I 9.24 4.81 2.24 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 1.63 0.92 1.27 0.00 0.00 115 S 8.84 3.94 0.00 3.65 3.55 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 0.00 116 D 7.90 4.84 0.00 2.64 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 0.00 117 R 9.00 3.81 0.00 1.96 1.94 0.00 3.12 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 118 K 8.46 3.98 0.00 1.81 1.74 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.52 7.81 119 E 7.97 3.25 0.00 1.97 1.78 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 1.47 1.98 0.00 120 L 7.50 4.34 0.00 1.61 1.62 -0.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.77 4.17 0.00 2.15 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 0.00 2.42 2.47 0.00 122 E 9.19 3.84 0.00 2.14 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 2.62 2.51 0.00 123 D 8.14 4.33 0.00 2.92 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 0.00 124 F 8.12 3.95 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.44 1.36 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 -0.31 0.00 0.00 126 K 7.87 3.80 0.00 1.61 1.74 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.26 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.19 1.20 7.81 127 S 7.87 4.17 0.00 3.95 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 0.00 128 E 7.86 3.87 0.00 2.37 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 1.68 2.38 0.00 129 L 7.77 4.15 0.00 1.75 1.73 0.72 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.46 4.23 0.00 1.87 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 K 7.75 4.14 0.00 1.82 1.67 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.47 7.81