NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.6588 8.3044 120.2864 55.3275 33.8986 174.0839 3 V 4.0748 8.7439 122.5601 59.7764 32.8290 173.3710 4 W 4.5188 9.0410 135.0000 57.1166 31.8242 174.9104 5 T 3.9955 8.0804 122.3102 61.4755 67.1846 172.3085 6 P 4.5963 0.0000 0.0000 63.0909 32.3675 175.5437 7 V 3.9389 7.3610 120.2426 63.0005 32.4195 175.4096 8 N 4.2710 8.6396 125.4835 55.0040 36.1300 173.4615 9 N 5.0642 7.6247 108.8759 52.9345 40.0590 174.2168 10 K 4.1575 8.2910 116.2060 56.5723 32.8309 176.6786 11 M 4.9866 8.3624 120.8640 53.9635 35.2642 175.4250 12 F 4.6169 8.0901 115.9153 57.1041 40.8524 175.8664 13 E 3.5536 8.1687 121.7946 56.8677 27.7718 174.7676 14 T 3.7537 8.4363 119.9005 66.6691 68.7695 174.0071 15 F 4.4598 9.0731 123.7390 57.7309 36.6839 176.6473 16 S 4.4314 8.3896 115.2758 60.6331 63.0216 174.5755 17 Y 4.3702 8.3187 117.0187 58.0962 38.1408 174.9973 18 L 4.7363 7.4930 119.8863 52.1166 43.7568 174.5282 19 P 4.4856 0.0000 0.0000 61.7062 31.8357 174.9146 20 P 4.2556 0.0000 0.0000 63.0418 31.6918 176.6159 21 L 4.2418 8.3356 122.9120 54.6978 42.3296 177.7616 22 S 4.5663 8.9400 118.6050 57.4699 65.7782 175.2368 23 D 4.3553 8.4726 121.1676 57.2432 40.3549 178.7933 24 E 3.9031 8.0429 119.5160 59.4726 29.8784 178.7216 25 Q 3.9083 7.8179 117.8398 58.9396 28.6856 178.9133 26 I 3.7729 8.0070 120.7892 64.2484 37.1640 178.2611 27 A 4.0377 8.2663 121.5204 55.1130 18.1920 179.4713 28 A 4.1229 8.2080 119.3340 55.5897 18.4479 179.9452 29 Q 4.1332 8.1181 116.4258 59.1284 28.7788 179.1582 30 V 3.8033 8.0197 119.4510 66.0509 31.5124 177.8878 31 D 4.4236 8.3335 118.9169 57.2804 40.7013 178.0194 32 Y 4.2287 8.1369 120.1977 60.7431 38.8328 178.0586 33 I 3.8809 7.9946 120.6875 64.5624 37.2340 178.5186 34 V 3.4913 7.7770 118.5080 66.0695 31.1819 177.7454 35 A 3.8711 8.0463 119.4896 54.9395 18.2379 178.4099 36 N 4.0776 7.1600 111.3394 52.1647 38.5858 175.7343 37 G 3.7625 7.4738 108.4093 46.1244 0.0000 174.1567 38 W 4.9018 7.4670 119.0148 56.0387 30.7774 176.4267 39 I 4.4473 9.0280 123.3432 59.3854 37.5153 174.1008 40 P 4.8538 0.0000 0.0000 63.2680 32.9212 174.8230 41 C 5.0039 8.9396 119.6859 58.6709 35.5897 172.3961 42 L 5.3470 8.6584 123.4991 53.1709 44.7286 175.2108 43 E 5.6513 9.1439 120.8459 54.9493 34.2050 174.5378 44 F 5.5974 9.3276 116.6140 55.9296 42.2343 172.9339 45 A 4.4160 7.9940 118.9393 50.5415 22.5895 176.3170 46 E 4.3940 8.4989 118.7718 55.7042 31.2526 177.9763 47 S 4.4187 9.0133 116.3451 62.3111 62.8961 177.1332 48 D 4.5660 8.2156 117.1894 56.3868 40.6509 177.1993 49 K 4.6599 7.9616 117.7177 56.0681 32.7593 177.2754 50 A 3.9386 7.9094 123.9541 54.5809 18.5526 178.5533 51 Y 4.6684 7.4288 111.0283 55.7256 40.2434 176.1393 52 V 4.4822 8.5078 115.1532 61.5191 32.2916 175.6257 53 S 4.8097 8.4253 116.1788 57.3343 66.4396 173.7341 54 N 5.1692 8.5274 113.9134 52.6364 39.5355 176.1885 55 E 3.9070 8.5538 119.2911 60.2302 29.1839 179.6440 56 S 3.9873 8.8805 116.3813 60.2900 62.8086 176.2112 57 A 2.5800 7.5320 123.2661 53.7807 17.7268 179.1174 58 I 3.5845 7.0152 116.2967 63.3147 38.0831 177.0860 59 R 4.3439 7.5308 116.7333 55.6305 30.5804 176.4133 60 F 4.8890 7.2878 118.0862 56.6703 40.8861 176.4929 61 G 4.0970 8.1635 114.7070 46.1403 0.0000 175.8218 62 S 4.6361 8.4250 114.2096 58.5609 62.2100 174.3307 63 V 4.4798 7.1827 106.8584 61.1887 33.1181 177.6831 64 S 4.4824 8.2680 114.9286 59.5826 63.6525 173.3805 65 C 3.8869 8.1124 118.7290 61.6132 27.9446 173.3023 66 L 3.5747 8.5000 123.6250 55.6906 38.9762 173.3260 67 Y 4.4246 7.4866 118.6442 55.7982 40.7425 174.4198 68 Y 4.9345 7.0943 122.7776 56.7749 42.3334 174.3638 69 D 4.5793 8.8693 123.1808 54.8063 42.1120 177.2018 70 N 4.4951 8.8644 115.9305 54.0433 36.0429 175.9891 71 R 3.9836 7.8985 118.5885 59.1078 30.4569 176.9915 72 Y 4.4744 7.7214 114.6026 57.6027 38.5348 174.4954 73 W 5.0667 8.6663 123.0010 55.0696 33.2174 174.5390 74 T 4.2030 8.3196 117.6632 62.9566 69.1674 174.5623 75 M 4.7577 8.5543 126.5936 55.1825 33.2736 175.1469 76 W 4.8365 9.4842 135.0000 56.0276 31.3864 176.8581 77 K 3.4395 8.5953 128.7744 57.4929 30.5813 178.1102 78 L 4.9202 8.2659 125.6440 52.7867 45.4052 173.8917 79 P 4.2989 0.0000 0.0000 63.2052 32.1644 177.6846 80 M 4.3240 8.6014 123.2927 53.7213 30.3689 175.5618 81 F 4.4863 7.4624 118.3802 58.9650 39.9482 176.3517 82 G 3.9693 9.1751 112.7810 45.6366 0.0000 172.8294 83 C 4.3012 8.0076 120.8208 59.4136 31.7201 173.3410 84 R 4.4742 8.6112 123.6118 55.5278 31.5980 174.5203 85 D 4.8134 7.8130 119.0869 51.5674 42.0435 174.7151 86 P 4.3359 0.0000 0.0000 66.0848 31.0848 178.2405 87 M 4.1020 8.5629 119.2888 58.3161 31.8657 178.5481 88 Q 4.0827 7.9809 117.8062 58.8914 28.8819 178.7578 89 V 3.6248 7.7347 120.2346 65.9326 31.7632 177.8242 90 L 4.0500 7.9520 118.7458 57.7967 41.3312 179.7291 91 R 3.9813 8.1256 118.1936 59.2738 30.0032 178.9575 92 E 4.1135 8.3107 118.4812 59.3128 29.4081 179.4148 93 I 3.5625 7.6480 119.8600 64.1590 37.1354 178.6565 94 V 3.4566 7.5323 118.3791 65.7817 31.4063 177.9139 95 A 3.9484 8.1790 120.8656 55.2559 18.2424 179.0641 96 C 2.0000 7.7279 117.4843 62.0865 30.9611 175.9439 97 T 3.6678 7.5336 111.1987 64.5180 67.8950 176.1915 98 K 3.8741 7.6929 121.6922 59.1662 32.2850 178.3958 99 A 4.0414 7.6603 120.2348 53.3178 19.7574 177.5820 100 F 4.6716 7.8584 115.9887 54.7907 39.1821 173.8319 101 P 4.3438 0.0000 0.0000 64.3221 31.7545 177.9348 102 D 4.6364 8.0861 116.3337 53.8736 41.2307 175.4449 103 A 4.7465 7.3483 121.4518 50.4119 21.5877 176.6644 104 Y 4.2348 8.6639 117.5341 57.6091 39.5568 175.2699 105 V 5.3258 8.9336 122.8375 61.2242 35.3520 174.2824 106 R 5.0020 9.3789 123.3284 54.2980 33.1608 173.6185 107 L 4.6865 8.2750 123.6623 53.8260 43.8284 175.6897 108 V 4.8972 8.7911 118.4393 59.5692 36.5367 174.2052 109 A 4.9000 7.8724 121.7908 50.5798 22.7500 175.4007 110 F 5.2709 9.2044 120.2024 55.7414 42.7985 174.3069 111 D 5.4537 8.8026 121.3880 52.6537 42.7683 176.4398 112 N 4.7219 9.2095 123.3316 54.4878 38.3139 176.4450 113 Q 4.1617 8.7795 118.9299 58.8260 28.9413 177.3157 114 K 4.1645 8.3911 113.7551 56.0921 33.0202 176.3751 115 Q 3.4330 7.9275 117.6723 55.3907 26.8758 172.2471 116 V 4.3272 7.7658 117.3173 60.3139 34.8467 173.0947 117 Q 4.4758 8.7829 123.1677 56.2554 29.1867 175.6490 118 I 4.1378 7.7019 118.5655 61.0270 38.3284 174.7234 119 M 4.3760 6.5235 119.2462 54.0882 34.0435 173.6370 120 G 4.8754 8.2568 111.8422 47.5955 0.0000 171.6517 121 F 4.9794 7.0301 114.6531 55.3463 40.9475 172.8216 122 L 4.4475 8.8711 122.8131 55.6287 42.0060 176.8153 123 V 4.4811 9.0302 118.1654 61.4309 34.0954 175.6859 124 Q 4.4640 7.6908 121.0218 54.5129 32.5459 172.9666 125 R 4.1976 8.0692 125.6336 53.1019 33.1312 173.1223 126 P 4.1796 0.0000 0.0000 62.7027 31.6844 177.5381 127 K 4.1181 8.5034 120.2734 59.1130 32.1633 178.3517 128 S 4.2799 7.9817 111.8481 59.6259 63.5853 174.4558 129 A 4.2138 7.7280 124.8679 53.1960 18.3032 177.2173 130 R 4.6385 8.8165 119.8170 55.9268 31.8489 175.3416 131 D 4.9206 8.4661 117.1477 52.5938 39.7165 175.5577 132 W 5.5046 7.8131 115.0946 55.1555 31.3169 174.1346 133 Q 4.3317 8.4487 117.6479 53.0488 31.2490 174.1125 134 P 4.5612 0.0000 0.0000 62.1316 32.7895 177.0754 135 A 3.9737 8.9151 123.1012 55.7008 18.1110 179.2902 136 N 4.6284 8.0868 108.7685 53.6691 37.7133 175.4224 137 K 4.4206 7.9361 117.7122 56.4072 32.8812 177.3880 138 R 3.6025 7.3984 119.9464 57.7961 30.1474 176.6642 139 S 4.9340 7.3949 110.4701 56.2993 66.3025 174.2374 140 V 3.9779 8.8539 114.8730 61.7202 32.1366 175.5719 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 2 M 8.30 4.66 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.74 4.07 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 0.97 0.00 0.00 0.96 0.00 0.00 4 W 9.04 4.52 0.00 3.44 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 5 T 8.08 4.00 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 1.00 0.00 0.00 6 P 0.00 4.60 0.00 2.24 2.20 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 7 V 7.36 3.94 2.03 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 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.64 4.27 0.00 2.78 2.89 0.00 0.00 6.82 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 9 N 7.62 5.06 0.00 2.63 2.73 0.00 0.00 7.30 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 10 K 8.29 4.16 0.00 2.02 1.64 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.39 7.81 11 M 8.36 4.99 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 12 F 8.09 4.62 0.00 3.05 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 13 E 8.17 3.55 0.00 2.15 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 2.20 2.15 0.00 14 T 8.44 3.75 4.20 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 0.13 0.00 0.00 15 F 9.07 4.46 0.00 3.27 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 16 S 8.39 4.43 0.00 4.14 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 0.00 17 Y 8.32 4.37 0.00 3.05 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 18 L 7.49 4.74 0.00 1.65 1.60 0.82 1.47 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 P 0.00 4.49 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 20 P 0.00 4.26 0.00 2.07 2.02 0.00 3.74 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 2.16 2.22 0.00 21 L 8.34 4.24 0.00 1.60 1.49 0.44 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.94 4.57 0.00 4.01 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 0.00 23 D 8.47 4.36 0.00 2.71 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 24 E 8.04 3.90 0.00 2.02 1.91 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 2.36 2.39 0.00 25 Q 7.82 3.91 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 26 I 8.01 3.77 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 1.09 0.00 0.00 27 A 8.27 4.04 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 28 A 8.21 4.12 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 29 Q 8.12 4.13 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.40 1.93 0.00 30 V 8.02 3.80 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.10 0.00 0.00 31 D 8.33 4.42 0.00 3.03 2.75 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 32 Y 8.14 4.23 0.00 3.10 3.40 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 33 I 7.99 3.88 2.16 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 1.68 1.01 1.06 0.00 0.00 34 V 7.78 3.49 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 1.08 0.00 0.00 0.96 0.00 0.00 35 A 8.05 3.87 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 36 N 7.16 4.08 0.00 1.44 1.42 0.00 0.00 7.04 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.47 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 0.00 0.00 0.00 38 W 7.47 4.90 0.00 3.37 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 39 I 9.03 4.45 2.12 0.00 0.00 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 1.52 0.87 0.74 0.00 0.00 40 P 0.00 4.85 0.00 2.12 2.21 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 41 C 8.94 5.00 0.00 3.08 2.75 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 42 L 8.66 5.35 0.00 1.83 1.59 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.14 5.65 0.00 2.13 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 2.39 2.33 0.00 44 F 9.33 5.60 0.00 2.91 2.97 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 45 A 7.99 4.42 -0.19 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 0.00 0.00 46 E 8.50 4.39 0.00 2.19 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 2.29 2.30 0.00 47 S 9.01 4.42 0.00 4.01 4.20 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 48 D 8.22 4.57 0.00 2.69 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 49 K 7.96 4.66 0.00 1.51 1.79 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.91 3.94 0.63 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 0.00 0.00 51 Y 7.43 4.67 0.00 2.89 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 52 V 8.51 4.48 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 0.28 0.00 0.00 0.78 0.00 0.00 53 S 8.43 4.81 0.00 3.99 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 54 N 8.53 5.17 0.00 2.77 2.85 0.00 0.00 6.52 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 55 E 8.55 3.91 0.00 2.18 2.27 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 2.54 2.53 0.00 56 S 8.88 3.99 0.00 3.94 3.73 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 57 A 7.53 2.58 1.16 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 58 I 7.02 3.58 1.78 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 1.48 0.81 0.84 0.00 0.00 59 R 7.53 4.34 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 60 F 7.29 4.89 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.16 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 62 S 8.42 4.64 0.00 3.86 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 63 V 7.18 4.48 1.86 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 0.66 0.00 0.00 0.52 0.00 0.00 64 S 8.27 4.48 0.00 4.11 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 0.00 65 C 8.11 3.89 0.00 2.96 2.95 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 66 L 8.50 3.57 0.00 1.76 1.74 0.94 0.96 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 67 Y 7.49 4.42 0.00 2.90 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 68 Y 7.09 4.93 0.00 2.83 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 69 D 8.87 4.58 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 70 N 8.86 4.50 0.00 3.04 3.23 0.00 0.00 6.97 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 71 R 7.90 3.98 0.00 1.52 1.71 0.00 3.08 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 72 Y 7.72 4.47 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.67 5.07 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.32 4.20 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 0.88 0.00 0.00 75 M 8.55 4.76 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 76 W 9.48 4.84 0.00 3.60 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 77 K 8.60 3.44 0.00 1.70 0.75 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.79 0.21 7.81 78 L 8.27 4.92 0.00 1.59 1.56 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.30 0.00 0.66 1.79 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.13 0.00 80 M 8.60 4.32 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 81 F 7.46 4.49 0.00 3.12 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 82 G 9.18 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 83 C 8.01 4.30 0.00 3.07 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 84 R 8.61 4.47 0.00 1.80 1.89 0.00 3.23 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 85 D 7.81 4.81 0.00 2.74 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 86 P 0.00 4.34 0.00 2.33 2.33 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 87 M 8.56 4.10 0.00 2.06 2.50 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 88 Q 7.98 4.08 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 89 V 7.73 3.62 2.28 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 1.08 0.00 0.00 0.97 0.00 0.00 90 L 7.95 4.05 0.00 1.93 1.71 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.13 3.98 0.00 2.06 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 92 E 8.31 4.11 0.00 2.23 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 0.00 2.65 2.65 0.00 93 I 7.65 3.56 1.99 0.00 0.00 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 1.32 0.87 0.82 0.00 0.00 94 V 7.53 3.46 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 0.97 0.00 0.00 0.96 0.00 0.00 95 A 8.18 3.95 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 96 C 7.73 2.00 0.00 1.23 2.19 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 97 T 7.53 3.67 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 1.06 0.00 0.00 98 K 7.69 3.87 0.00 1.83 1.96 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.66 4.04 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 0.00 100 F 7.86 4.67 0.00 2.82 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 0.00 101 P 0.00 4.34 0.00 2.12 2.11 0.00 3.31 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 102 D 8.09 4.64 0.00 2.69 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 0.00 103 A 7.35 4.75 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.66 4.23 0.00 2.54 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 0.00 105 V 8.93 5.33 2.03 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 0.99 0.00 0.00 0.92 0.00 0.00 106 R 9.38 5.00 0.00 1.83 1.92 0.00 2.32 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.39 0.00 107 L 8.28 4.69 0.00 1.47 0.79 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.79 4.90 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.57 0.00 0.00 109 A 7.87 4.90 1.16 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 0.00 110 F 9.20 5.27 0.00 2.98 2.92 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 0.00 111 D 8.80 5.45 0.00 2.43 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 0.00 112 N 9.21 4.72 0.00 2.94 3.06 0.00 0.00 6.34 7.39 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 0.00 113 Q 8.78 4.16 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.39 4.16 0.00 1.75 1.86 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 115 Q 7.93 3.43 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 116 V 7.77 4.33 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 0.56 0.00 0.00 0.92 0.00 0.00 117 Q 8.78 4.48 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.21 1.94 0.00 118 I 7.70 4.14 0.82 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 -0.30 0.06 0.50 0.00 0.00 119 M 6.52 4.38 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 120 G 8.26 4.88 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 0.00 0.00 0.00 121 F 7.03 4.98 0.00 3.22 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 0.00 122 L 8.87 4.45 0.00 1.59 1.60 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.03 4.48 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 0.58 0.00 0.00 0.89 0.00 0.00 124 Q 7.69 4.46 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 125 R 8.07 4.20 0.00 1.38 1.29 0.00 2.21 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.19 0.00 126 P 0.00 4.18 0.00 2.13 2.10 0.00 2.20 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 127 K 8.50 4.12 0.00 1.76 1.94 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.39 7.81 128 S 7.98 4.28 0.00 4.02 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 0.00 129 A 7.73 4.21 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 0.00 130 R 8.82 4.64 0.00 1.81 1.89 0.00 3.33 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 131 D 8.47 4.92 0.00 2.92 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 0.00 132 W 7.81 5.50 0.00 3.66 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 0.00 133 Q 8.45 4.33 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.05 0.00 134 P 0.00 4.56 0.00 2.17 2.02 0.00 3.46 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 135 A 8.92 3.97 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 0.00 136 N 8.09 4.63 0.00 2.80 2.93 0.00 0.00 5.85 7.13 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 0.00 137 K 7.94 4.42 0.00 1.65 1.68 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.38 7.81 138 R 7.40 3.60 0.00 1.46 0.66 0.00 3.15 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 139 S 7.39 4.93 0.00 3.99 3.88 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 0.00 140 V 8.85 3.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.95 0.00 0.00