NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8279 8.3544 109.7210 44.8086 0.0000 174.0001 4 D 4.1613 8.4362 121.4879 53.2615 42.0260 175.9686 5 K 3.8976 9.5767 128.6716 59.1502 32.6310 178.1462 6 K 4.2797 8.6873 120.2950 57.5240 32.2676 178.9346 7 V 3.6851 8.0552 118.2863 66.4572 31.4507 178.1541 8 I 3.7550 8.0177 119.1001 64.0665 36.6252 178.6532 9 Q 3.9270 7.6623 118.8927 59.0835 28.4957 177.9392 10 H 4.1993 8.2194 117.2902 59.0457 28.8406 177.6247 11 L 3.9990 8.1043 120.5442 58.1835 41.5090 179.5626 12 N 4.5993 8.1664 115.9808 55.7622 38.3309 177.5876 13 K 3.8775 7.9620 121.3599 59.4844 32.4235 178.5673 14 I 3.6463 7.8873 120.4087 64.6607 37.0399 177.7470 15 L 4.0656 8.5131 121.1853 58.5377 41.3401 179.4122 16 G 3.5760 8.0751 105.2515 47.6711 0.0000 175.4877 17 N 4.4105 8.1063 118.7989 56.1757 38.6223 177.3749 18 E 4.0108 8.7045 120.3982 59.3294 29.3566 179.4613 19 L 3.9460 8.1772 119.3338 57.8286 41.6719 179.5871 20 I 3.6424 7.4825 118.9906 64.0573 36.9061 178.4542 21 A 3.2281 7.8168 121.6849 54.8727 18.1661 179.2299 22 I 3.6001 7.6443 118.3951 65.1191 37.2239 178.2384 23 N 4.3051 7.8390 116.7023 56.3573 38.4513 177.4602 24 Q 3.8503 7.9908 120.9338 59.4611 29.0857 177.8882 25 Y 4.7955 7.8772 119.2428 60.3747 37.7771 178.1307 26 F 4.0247 8.4168 121.8706 61.1392 39.5807 176.9424 27 L 3.9777 8.2109 119.9989 58.4555 41.9029 178.3641 28 H 3.7638 8.1661 116.0952 59.0480 28.6761 177.0979 29 S 4.3201 8.4544 114.8797 62.2138 62.1603 176.7949 30 R 3.8851 8.1936 120.2249 58.9426 29.7283 179.2394 31 M 3.4956 7.7291 118.9336 57.9401 31.8992 178.5182 32 W 4.6055 8.1058 119.3955 59.9448 29.1625 178.4412 33 N 4.3372 8.3904 116.2756 56.4758 37.8718 176.6176 34 D 4.3762 7.6568 117.9326 57.5967 41.2760 178.3752 35 W 4.8082 8.0223 116.8245 57.6595 29.1296 177.3759 36 G 4.0062 8.9328 108.1432 45.6260 0.0000 174.1141 37 L 4.8388 8.0823 122.0519 53.4752 40.2405 177.7209 38 K 4.1443 8.4158 120.2916 58.5206 32.4930 178.9741 39 R 3.9861 7.8930 119.5824 58.9487 30.1034 178.2601 40 L 3.8029 7.7041 118.5592 57.3137 41.3951 179.1478 41 G 3.9294 8.1857 105.6081 48.1662 0.0000 175.5112 42 A 4.0074 7.9969 123.7335 54.9306 18.4354 179.2242 43 H 4.0194 8.2754 116.8438 59.1675 29.4853 177.0652 44 E 4.0517 8.4231 121.2175 58.8577 29.6225 177.5452 45 Y 4.1518 8.2858 120.0908 61.4726 38.7623 178.3244 46 H 4.0280 8.2020 116.6218 58.6474 28.5795 177.6145 47 E 3.8225 8.0945 120.6170 59.4085 29.2318 179.3679 48 S 4.3131 8.1384 113.0997 61.5078 62.4996 176.3008 49 I 3.6182 7.6440 122.5192 64.2868 36.8973 177.8939 50 D 4.2872 8.0877 119.7822 57.7241 40.6434 179.0141 51 E 4.0967 7.8966 118.8363 59.3648 29.4925 178.9542 52 M 4.0121 8.0296 118.9270 58.6528 32.0537 178.9984 53 K 4.0470 7.9685 118.3183 59.5809 32.2374 179.2472 54 H 4.3378 8.0912 116.1823 58.4080 28.5698 177.4474 55 A 3.9901 8.3876 123.2683 55.3177 18.2668 179.0789 56 D 4.2497 8.1228 116.1770 57.5092 41.3264 178.5753 57 K 3.9683 7.9711 118.7659 59.4856 32.0751 179.3264 58 L 4.0054 7.9912 119.0691 57.9968 41.6137 179.5090 59 I 3.8013 7.7669 119.6781 64.6228 37.0011 178.3311 60 E 4.0775 8.0231 118.8353 59.1336 29.3587 179.2632 61 R 4.0358 8.1358 118.8971 59.6037 30.2630 178.1927 62 I 3.6753 8.3055 119.9955 64.5305 37.1313 177.9758 63 L 3.9784 8.1913 119.3453 58.1651 41.3552 179.7576 64 F 4.2711 8.1826 119.2579 61.2691 39.4765 176.8391 65 L 3.8439 7.5710 113.7942 54.7551 41.0430 177.0857 66 E 3.6831 7.6499 117.0404 57.1089 27.2863 174.7225 67 G 3.9108 7.6766 108.5629 44.4293 0.0000 173.3982 68 L 4.6030 8.0593 118.8521 52.1589 42.9652 175.0042 69 P 4.4394 0.0000 0.0000 62.0468 32.0075 175.6338 70 N 4.6400 10.1142 123.4098 52.5507 38.2748 174.1968 71 L 4.5457 8.2668 124.3664 54.5445 42.3972 177.4821 72 Q 4.0930 8.1664 121.2141 57.7211 29.3811 175.5400 73 D 4.6269 7.9024 117.8206 52.6397 41.6041 175.2681 74 L 4.5675 8.3016 126.4861 52.7445 43.7798 177.0451 75 G 3.7943 8.3764 117.3975 45.1724 0.0000 170.9634 76 K 4.2530 8.3937 122.1873 54.8517 32.6221 177.5329 77 L 4.0798 8.4293 127.1434 54.9374 42.0656 177.7009 78 L 4.4125 8.7930 125.0955 53.3308 40.4364 174.2331 79 I 4.2086 7.8462 121.9275 59.5847 37.6001 176.5062 80 G 3.9450 8.6220 115.1604 45.1630 0.0000 172.1508 81 E 4.7292 8.4944 114.8577 55.5776 31.0122 175.6049 82 N 5.1552 7.6943 116.7556 50.5919 42.1025 174.9813 83 T 4.3811 8.5573 116.4901 67.0984 68.6532 176.6564 84 Q 3.9958 8.1923 120.9954 59.1284 29.2468 177.5421 85 E 4.0886 8.7741 120.0069 58.8213 29.6397 178.7318 86 M 3.9391 8.0864 119.1620 58.3352 32.0576 178.4848 87 L 4.1999 8.1147 119.1068 57.8729 41.7607 179.4749 88 Q 3.9742 8.1133 119.1874 59.3237 28.9649 177.8315 89 C 4.2510 8.0366 117.3807 62.9447 28.1569 175.9862 90 D 4.6101 8.3074 120.3483 57.3642 40.5287 178.3371 91 L 3.9823 8.2441 121.1337 58.3779 42.0751 178.8772 92 N 4.3595 8.7916 116.5380 56.2236 38.5398 177.0264 93 L 3.9890 8.1760 121.8289 58.4903 42.1906 179.0103 94 E 4.1399 8.8897 118.7496 59.1958 29.3148 179.3512 95 L 4.0166 8.1157 119.2535 57.6446 41.8149 179.2971 96 K 3.9102 8.0614 119.2602 59.6367 32.1072 178.7038 97 A 4.0861 8.0922 120.8905 55.3492 18.3993 179.7592 98 T 3.9588 8.0882 114.4585 66.2021 68.5176 177.1284 99 K 3.9521 7.9227 121.4530 59.6226 32.4675 178.4768 100 D 4.4195 7.9771 118.9453 57.4668 40.8054 178.8549 101 L 3.9792 8.0079 120.7185 58.0725 42.1339 179.0638 102 R 3.9376 7.8737 117.7264 59.5199 30.1278 178.9513 103 E 3.9679 8.1877 117.8810 59.3297 29.5416 179.3055 104 A 3.6719 7.9457 120.4935 54.7668 18.3210 179.8338 105 I 3.7044 7.5743 118.5204 64.3365 37.2282 178.5872 106 V 3.5610 7.7112 119.1599 66.3836 31.2268 177.5877 107 H 4.0999 8.1008 117.6652 59.2665 29.5541 177.0796 108 C 4.0459 7.8623 118.4049 62.8344 27.4992 175.6570 109 E 3.8130 8.2681 120.8925 59.2491 28.9297 178.4749 110 Q 4.0973 7.6472 118.1421 57.8116 29.1611 177.2413 111 V 3.9992 6.8922 111.1938 60.4330 32.0331 175.2040 112 H 3.1101 7.2160 113.4312 57.2044 26.3754 176.1739 113 D 4.5148 7.4566 120.7576 53.5626 39.1277 175.1557 114 Y 4.2424 7.6283 122.1745 59.9894 38.4453 177.3675 115 V 3.6627 7.8305 119.1586 66.1468 31.9169 177.9966 116 S 4.1870 8.1658 114.5513 61.7231 62.6370 176.7430 117 R 3.9998 7.7835 121.4531 59.0214 29.7918 178.0770 118 D 4.3459 7.9480 117.8417 56.9739 41.2500 177.7734 119 L 3.9637 7.8763 120.8445 58.3470 42.0974 179.0986 120 L 4.0889 7.9963 120.8087 58.2856 41.4699 180.2896 121 K 4.2275 8.1434 123.7584 59.5896 31.4535 181.4464 122 D 4.5256 8.2359 119.2947 57.5884 40.7763 178.8944 123 I 3.4941 7.8102 120.3053 64.1299 36.9915 178.1836 124 L 3.9401 8.4271 121.5556 58.2564 41.9112 178.6675 125 E 3.9572 8.4426 119.3372 59.2695 29.4804 178.8216 126 S 4.1530 7.8910 113.4445 61.2828 62.4067 175.9530 127 E 4.0888 8.4096 121.4148 59.5265 29.2044 179.1517 128 E 4.0160 8.6441 119.0236 59.4319 29.5119 179.1717 129 E 4.0224 8.2929 118.6927 59.7801 29.4523 178.9198 130 H 4.3977 8.4530 118.2055 59.4497 29.9034 177.3786 131 I 3.7005 8.2629 122.0363 64.2057 36.8437 178.0015 132 D 4.2849 8.2743 119.0335 57.5221 41.2613 177.4934 133 Y 4.1256 8.1565 120.0275 60.7624 38.7703 178.1983 134 L 3.6894 8.2302 119.8479 57.9119 41.7649 179.1203 135 E 3.9177 8.2564 118.4255 60.0265 29.3881 179.8184 136 T 3.8089 7.9726 115.5465 66.4956 68.4430 176.8603 137 Q 3.8241 7.5475 119.7183 58.8493 28.6100 178.5455 138 L 3.8891 7.6390 120.0158 57.8416 41.4385 179.9107 139 G 3.5691 8.1963 105.6373 47.8195 0.0000 175.7286 140 L 4.0637 7.8946 121.0519 57.1859 41.5985 179.6834 141 I 3.5490 7.3611 120.2261 64.2813 36.7831 178.0903 142 Q 3.9702 7.4404 117.9131 59.0374 28.6251 178.9207 143 K 4.2234 7.5479 117.6425 57.9047 32.5092 178.6228 144 V 4.2386 8.0042 110.3949 59.7339 33.5771 176.6859 145 G 3.9862 7.9758 106.5874 45.7593 0.0000 173.8097 146 L 3.9373 8.7668 124.2675 58.4953 41.9725 179.5557 147 E 3.9966 8.1527 117.5497 59.2958 29.4541 178.7272 148 N 4.2868 8.2081 116.0844 56.6469 38.4726 176.1943 149 Y 4.0954 7.8352 119.1852 60.9401 38.9868 178.2467 150 L 4.1052 8.3182 119.4534 57.8903 41.9455 178.9614 151 Q 3.9088 8.0273 119.5375 59.6451 28.7686 179.0247 152 S 4.3737 7.8868 112.2184 59.8820 63.0595 174.3458 153 H 4.6826 8.3707 119.1477 55.6206 29.9497 175.6876 154 M 4.2175 8.0559 121.5304 57.5398 31.9396 176.2379 155 H 5.2395 7.6578 113.2650 53.8472 31.4784 174.2562 156 E 4.1594 8.6219 120.2439 56.7876 29.4243 176.7597 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 G 8.35 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 0.00 0.00 0.00 4 D 8.44 4.16 0.00 2.86 2.58 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 5 K 9.58 3.90 0.00 1.84 1.77 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.69 4.28 0.00 1.93 1.53 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.27 7.81 7 V 8.06 3.69 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 1.20 0.00 0.00 0.97 0.00 0.00 8 I 8.02 3.75 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 1.51 0.69 0.90 0.00 0.00 9 Q 7.66 3.93 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 10 H 8.22 4.20 0.00 3.36 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.10 4.00 0.00 1.70 1.75 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.17 4.60 0.00 2.94 2.86 0.00 0.00 6.71 7.12 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 13 K 7.96 3.88 0.00 1.90 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.89 3.65 2.02 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 1.71 0.64 0.93 0.00 0.00 15 L 8.51 4.07 0.00 1.77 1.82 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.08 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 17 N 8.11 4.41 0.00 2.97 2.87 0.00 0.00 6.92 7.80 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 18 E 8.70 4.01 0.00 2.07 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 0.00 2.50 2.55 0.00 19 L 8.18 3.95 0.00 1.78 1.67 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.48 3.64 1.91 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 1.41 0.89 0.88 0.00 0.00 21 A 7.82 3.23 1.05 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 0.00 0.00 22 I 7.64 3.60 1.95 0.00 0.00 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 1.49 0.71 0.85 0.00 0.00 23 N 7.84 4.31 0.00 2.69 2.82 0.00 0.00 6.78 7.73 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 24 Q 7.99 3.85 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 25 Y 7.88 4.80 0.00 3.13 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 26 F 8.42 4.02 0.00 3.32 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 27 L 8.21 3.98 0.00 1.91 1.62 0.89 0.93 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 28 H 8.17 3.76 0.00 3.50 2.85 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.45 4.32 0.00 4.06 3.94 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 30 R 8.19 3.89 0.00 1.96 1.89 0.00 2.93 0.00 0.00 2.55 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 31 M 7.73 3.50 0.00 0.85 1.58 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.15 0.00 32 W 8.11 4.61 0.00 3.68 3.35 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 33 N 8.39 4.34 0.00 2.89 2.84 0.00 0.00 6.57 7.63 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 34 D 7.66 4.38 0.00 2.64 2.54 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 35 W 8.02 4.81 0.00 3.60 3.16 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 36 G 8.93 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 0.00 0.00 0.00 37 L 8.08 4.84 0.00 2.13 1.64 1.29 0.83 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 38 K 8.42 4.14 0.00 2.06 1.86 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 R 7.89 3.99 0.00 2.02 1.93 0.00 3.02 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 40 L 7.70 3.80 0.00 1.15 0.13 0.41 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.19 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 42 A 8.00 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.28 4.02 0.00 3.33 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.42 4.05 0.00 2.51 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.73 0.00 45 Y 8.29 4.15 0.00 2.95 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.03 0.00 3.30 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.09 3.82 0.00 2.05 1.65 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 2.27 2.14 0.00 48 S 8.14 4.31 0.00 4.11 4.09 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 0.00 0.00 0.00 49 I 7.64 3.62 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.06 0.81 0.00 0.00 50 D 8.09 4.29 0.00 2.92 2.65 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 51 E 7.90 4.10 0.00 2.08 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 2.73 2.66 0.00 52 M 8.03 4.01 0.00 2.03 2.24 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 2.78 2.56 0.00 53 K 7.97 4.05 0.00 1.92 1.83 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 54 H 8.09 4.34 0.00 3.24 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.39 3.99 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 56 D 8.12 4.25 0.00 2.90 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 57 K 7.97 3.97 0.00 2.02 1.87 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.66 7.81 58 L 7.99 4.01 0.00 1.90 1.73 1.01 0.74 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 59 I 7.77 3.80 2.04 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 1.53 1.06 0.92 0.00 0.00 60 E 8.02 4.08 0.00 2.19 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 0.00 2.34 2.57 0.00 61 R 8.14 4.04 0.00 2.06 2.12 0.00 3.36 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.31 3.68 2.04 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 1.54 1.21 0.94 0.00 0.00 63 L 8.19 3.98 0.00 1.99 1.81 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.18 4.27 0.00 2.97 3.33 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 0.00 0.00 0.00 0.00 65 L 7.57 3.84 0.00 1.88 1.61 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.65 3.68 0.00 2.03 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 0.00 2.18 2.17 0.00 67 G 7.68 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 0.00 0.00 0.00 68 L 8.06 4.60 0.00 1.61 1.59 0.91 1.00 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 69 P 0.00 4.44 0.00 2.04 1.98 0.00 3.66 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 2.03 2.07 0.00 70 N 10.11 4.64 0.00 2.49 2.83 0.00 0.00 7.13 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 L 8.27 4.55 0.00 1.63 1.64 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.17 4.09 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 7.90 4.63 0.00 2.68 2.58 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 74 L 8.30 4.57 0.00 1.51 1.51 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.39 4.25 0.00 1.70 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.51 7.81 77 L 8.43 4.08 0.00 1.63 1.56 0.87 0.99 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 78 L 8.79 4.41 0.00 1.74 1.67 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.85 4.21 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.91 0.00 0.00 80 G 8.62 3.94 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 0.00 0.00 0.00 81 E 8.49 4.73 0.00 2.12 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 2.33 2.25 0.00 82 N 7.69 5.16 0.00 2.92 2.86 0.00 0.00 6.25 7.22 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 83 T 8.56 4.38 4.48 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 1.59 0.00 0.00 84 Q 8.19 4.00 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 85 E 8.77 4.09 0.00 2.25 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 2.33 2.37 0.00 86 M 8.09 3.94 0.00 1.46 2.19 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.03 0.00 87 L 8.11 4.20 0.00 1.78 1.76 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.11 3.97 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.04 4.25 0.00 3.35 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 90 D 8.31 4.61 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.24 3.98 0.00 1.83 1.96 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.79 4.36 0.00 2.76 2.88 0.00 0.00 6.68 6.64 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 93 L 8.18 3.99 0.00 1.92 1.96 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.89 4.14 0.00 2.24 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 0.00 2.70 2.57 0.00 95 L 8.12 4.02 0.00 1.88 1.74 0.94 0.33 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 96 K 8.06 3.91 0.00 1.92 2.12 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 97 A 8.09 4.09 1.44 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 0.00 0.00 98 T 8.09 3.96 4.57 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 1.23 0.00 0.00 99 K 7.92 3.95 0.00 1.83 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 7.98 4.42 0.00 3.00 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 0.00 101 L 8.01 3.98 0.00 2.09 1.67 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.87 3.94 0.00 2.12 1.98 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 E 8.19 3.97 0.00 2.20 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 0.00 2.34 2.33 0.00 104 A 7.95 3.67 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 0.00 105 I 7.57 3.70 2.00 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 1.41 0.67 0.92 0.00 0.00 106 V 7.71 3.56 2.23 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 1.00 0.00 0.00 0.96 0.00 0.00 107 H 8.10 4.10 0.00 3.30 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 7.86 4.05 0.00 3.20 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 0.00 109 E 8.27 3.81 0.00 2.11 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 2.36 2.43 0.00 110 Q 7.65 4.10 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 111 V 6.89 4.00 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 0.67 0.00 0.00 0.86 0.00 0.00 112 H 7.22 3.11 0.00 3.22 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.46 4.51 0.00 2.60 2.45 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 0.00 114 Y 7.63 4.24 0.00 3.10 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 0.00 115 V 7.83 3.66 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.17 4.19 0.00 4.07 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 0.00 117 R 7.78 4.00 0.00 1.92 2.17 0.00 3.26 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 118 D 7.95 4.35 0.00 3.12 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.88 3.96 0.00 1.95 1.78 0.94 0.68 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 0.00 120 L 8.00 4.09 0.00 1.76 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.14 4.23 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 122 D 8.24 4.53 0.00 2.89 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 0.00 123 I 7.81 3.49 1.94 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 1.16 0.70 0.83 0.00 0.00 124 L 8.43 3.94 0.00 1.78 1.91 0.94 0.88 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 0.00 125 E 8.44 3.96 0.00 2.08 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 2.33 2.34 0.00 126 S 7.89 4.15 0.00 3.95 4.09 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 0.00 0.00 0.00 127 E 8.41 4.09 0.00 2.17 2.23 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 2.67 2.54 0.00 128 E 8.64 4.02 0.00 2.02 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 0.00 2.36 2.52 0.00 129 E 8.29 4.02 0.00 2.35 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 0.00 2.38 2.36 0.00 130 H 8.45 4.40 0.00 3.25 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.26 3.70 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.93 0.00 0.00 132 D 8.27 4.28 0.00 2.84 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 0.00 133 Y 8.16 4.13 0.00 3.18 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.23 3.69 0.00 2.01 1.65 1.04 0.96 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 0.00 135 E 8.26 3.92 0.00 2.04 1.98 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 2.31 2.48 0.00 136 T 7.97 3.81 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 1.18 0.00 0.00 137 Q 7.55 3.82 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 138 L 7.64 3.89 0.00 1.81 1.63 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.20 3.57 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 0.00 140 L 7.89 4.06 0.00 1.91 1.86 nan 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.36 3.55 1.77 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.28 0.79 0.00 0.00 142 Q 7.44 3.97 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 143 K 7.55 4.22 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.68 7.81 144 V 8.00 4.24 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 0.83 0.00 0.00 1.15 0.00 0.00 145 G 7.98 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 0.00 146 L 8.77 3.94 0.00 1.75 1.71 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.15 4.00 0.00 2.06 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 2.40 2.40 0.00 148 N 8.21 4.29 0.00 3.08 2.91 0.00 0.00 6.73 7.48 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 0.00 149 Y 7.84 4.10 0.00 2.94 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 0.00 150 L 8.32 4.11 0.00 1.92 1.74 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.03 3.91 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 152 S 7.89 4.37 0.00 3.80 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.37 4.68 0.00 3.00 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.06 4.22 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 155 H 7.66 5.24 0.00 3.07 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.62 4.16 0.00 1.95 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 2.29 2.29 0.00