NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5521 8.1927 115.2931 58.6235 64.7876 175.4618 1 M 3.9619 8.1475 120.1519 57.6622 32.1819 176.8918 2 A 4.0291 8.7788 121.8093 54.9576 19.0444 178.8715 3 E 3.9294 8.1513 116.9326 59.7100 29.5181 179.5046 4 S 4.1930 8.3716 114.5271 61.4820 62.6633 176.0733 5 E 4.0876 8.5788 123.1320 58.9699 29.3666 178.5271 6 L 4.1124 8.1921 120.4452 58.5844 42.1690 178.9485 7 M 4.1345 8.2537 118.6452 58.5215 31.8715 178.2973 8 H 4.2588 8.5279 118.5597 59.2578 29.9853 177.3356 9 I 3.5685 7.9186 121.6663 64.6499 36.8848 177.7720 10 H 4.2082 8.4718 119.3195 59.3616 29.6156 177.4507 11 S 4.1630 8.0782 116.0267 61.3029 62.8643 176.3569 12 L 3.7841 7.8681 122.4026 57.4777 41.3331 179.4042 13 A 4.4477 8.4654 120.9038 55.2575 18.2692 179.4758 14 E 4.0217 8.4455 117.3537 60.1073 29.6124 179.4177 15 H 4.2437 8.3231 116.2406 58.9435 28.1861 177.3089 16 Y 4.1590 8.2558 121.4243 60.8012 38.7622 178.1189 17 L 3.9693 8.2086 119.8697 57.5349 41.6017 179.5405 18 Q 3.5780 8.2611 118.5069 58.7565 28.6249 177.7267 19 Y 3.9780 7.9452 120.5871 60.9107 38.5557 178.6086 20 V 3.3479 7.3154 117.5065 65.3282 31.6146 176.9407 21 L 4.2298 7.3831 115.7776 53.2889 42.5757 176.4413 22 Q 3.1945 7.4370 117.0957 57.2997 26.6363 173.9312 23 V 4.3266 7.4041 115.6713 60.2754 34.3048 172.7692 24 P 4.1164 0.0000 0.0000 62.1390 31.3300 175.2915 25 A 4.1776 8.4316 127.4940 51.8010 19.2436 179.4330 26 F 3.5355 7.9868 115.2677 58.5736 37.9314 177.0167 27 E 4.4036 8.1204 116.1990 57.0253 30.2499 181.8891 28 S 4.7190 7.4312 110.9709 55.7737 66.5191 173.2767 29 A 4.1286 8.2507 123.4037 50.9759 18.7314 175.8294 30 P 4.1553 0.0000 0.0000 62.8321 32.1132 177.2238 31 S 4.3894 8.3013 116.8536 57.8850 65.0966 175.2351 32 Q 3.9159 8.5524 121.7759 59.3404 28.6621 177.9447 33 A 4.2075 8.0381 121.2602 55.3503 18.4007 179.0378 34 C 3.8721 7.9208 114.9250 63.1734 28.2248 176.7615 35 R 3.7932 7.8807 119.3352 59.0797 29.5615 179.2933 36 V 3.5434 8.0167 118.2078 65.8203 31.5212 177.7490 37 L 4.0522 8.3200 120.2863 58.3313 42.0242 178.8181 38 Q 4.0445 8.0954 118.0690 59.2215 28.6259 178.6390 39 R 3.9296 7.8788 119.4404 59.7757 29.9630 178.9447 40 V 3.5102 8.2344 111.8388 64.3830 31.6122 178.6548 41 A 3.9599 8.3279 120.9481 54.9657 18.0138 179.5215 42 F 4.5523 8.6823 120.6404 60.8394 39.4593 177.3690 43 S 4.0958 8.2127 113.9990 61.6369 62.4800 176.9402 44 V 3.5314 7.6229 121.6790 65.6043 31.2612 177.4820 45 Q 4.0371 8.1977 119.4169 59.3375 28.8361 178.6839 46 K 3.7074 7.9369 119.4554 59.4886 32.0637 178.8038 47 E 3.9065 8.2665 119.5269 59.2493 29.5016 178.9934 48 V 3.5824 8.1719 118.4791 66.3056 31.5051 177.9816 49 E 4.1396 8.2399 117.0282 58.9971 29.2608 179.2349 50 K 4.0788 7.9048 119.2423 59.4300 32.5826 178.1728 51 N 4.7619 8.4429 114.3952 53.6866 39.0250 175.7827 52 L 4.8761 8.3246 120.9220 54.2527 42.7658 178.2840 53 K 3.8982 8.4530 122.4012 59.8628 31.7399 178.3996 54 S 4.0826 8.0940 112.4920 61.7892 62.9621 175.6728 55 Y 4.1213 8.0747 119.8081 60.7852 37.9299 178.1769 56 L 4.0525 8.4642 120.1789 57.7564 41.4950 179.0657 57 D 4.4394 8.1041 117.5330 56.2232 40.7113 176.6118 58 D 4.8108 7.4256 118.9557 53.6980 40.8390 175.6815 59 F 4.9586 7.1066 112.2115 56.1213 40.8679 173.0455 60 H 4.9056 8.8636 117.7377 54.1190 31.5289 174.5390 61 V 4.3536 8.8204 123.6439 61.4086 30.6570 175.1815 62 E 4.2919 8.4659 123.4929 57.3061 30.3595 177.2240 63 S 4.6997 7.5281 111.8483 55.6601 66.8192 174.3173 64 I 3.7997 8.3783 127.1810 64.3507 36.7969 177.8743 65 D 4.3824 8.0588 118.9932 58.1399 40.8867 178.9482 66 T 3.9615 7.8244 115.0500 66.1520 68.4950 176.6134 67 A 4.0358 8.2238 122.9447 55.3660 18.4822 179.4879 68 R 2.5100 8.0411 117.3364 59.1139 29.9103 178.8382 69 I 3.6196 7.3065 119.2839 64.5395 37.1435 178.5492 70 I 3.7054 7.9861 120.9282 64.0725 36.7721 178.3622 71 F 4.3632 8.4651 121.8369 61.6059 39.2672 177.0689 72 N 4.1078 8.1648 116.3728 56.0295 38.3030 177.4361 73 Q 3.9296 8.0166 119.2537 58.9270 28.9286 178.5316 74 V 3.3420 7.7821 120.2479 66.0101 31.6462 178.0034 75 M 3.7614 7.7147 118.6911 57.9942 31.2531 178.3573 76 E 4.1651 8.3272 122.1038 60.0103 29.6436 179.7784 77 K 4.1011 7.7056 122.4120 59.5598 31.7822 180.1502 78 E 4.0782 8.0669 119.2510 58.5628 29.7155 178.1021 79 F 4.6237 7.8375 115.4037 57.1531 39.2569 177.4681 80 E 3.9848 7.4827 121.5643 59.6771 29.2663 178.4277 81 D 4.3505 7.9419 115.4432 54.2170 39.6234 177.1163 82 G 3.9028 8.0261 108.2337 45.7099 0.0000 173.2076 83 I 4.1354 7.9853 120.9894 60.0676 37.8720 175.3649 84 I 4.3661 7.9483 125.8616 59.0698 39.8089 174.9059 85 N 4.1027 7.6709 120.8484 50.0617 41.5628 175.4891 86 W 4.7379 8.8079 120.0701 59.8770 28.9349 178.9905 87 G 3.9340 8.5534 105.2745 48.1704 0.0000 175.7184 88 R 4.0325 8.3200 119.6889 58.9589 30.3075 178.9432 89 I 4.0954 8.0516 119.5877 64.5316 37.1804 178.3906 90 V 3.9882 8.4225 119.4020 66.6158 31.2040 178.1969 91 T 4.1029 7.9791 109.3697 64.5567 68.5139 176.7094 92 I 3.8864 7.8226 122.5417 64.4583 37.1884 178.0746 93 F 4.1720 8.4164 117.8073 60.6604 38.6736 177.4006 94 A 4.2491 8.2045 120.1566 55.4513 18.2740 179.5468 95 F 4.4607 8.9440 119.5148 61.1571 39.4653 177.3593 96 G 3.9048 8.6454 105.8696 47.9300 0.0000 175.6594 97 G 3.8565 8.5702 108.5465 47.5305 0.0000 175.6897 98 V 3.8057 8.1016 121.2004 65.8661 31.5260 178.1844 99 L 3.9661 7.7825 118.5564 57.5620 41.4777 179.1112 100 L 3.9938 8.0108 120.3787 58.1399 42.1339 179.0465 101 K 3.9960 8.1660 119.5826 59.0528 31.8625 178.8285 102 K 4.4645 7.7541 120.8430 58.7849 32.1752 178.2447 103 L 4.3424 8.5403 123.4150 58.9174 41.9337 179.8462 104 K 4.0655 8.1862 123.8613 59.6297 31.7463 180.7817 105 Q 4.2716 8.1647 117.5698 58.4033 28.3830 177.3835 106 E 4.4376 7.7176 118.3090 55.5036 30.5212 175.3858 107 Q 4.6218 7.0549 122.6405 54.6507 31.2043 176.1653 108 I 3.8031 8.4189 121.5856 62.4380 35.7663 176.9082 109 A 4.5075 7.5435 124.9631 50.4054 20.9433 175.7252 110 L 4.3293 8.4308 123.5422 55.6456 41.9518 176.1450 111 D 4.7835 8.3316 121.6605 52.1320 41.4066 177.1472 112 V 4.3882 8.2183 117.6247 62.6405 30.5361 177.4625 113 S 5.7459 8.6173 130.4050 58.6930 60.9706 178.4790 114 A 3.9861 8.1723 123.2938 55.5569 18.1110 179.2974 115 Y 4.0609 8.0044 115.3327 59.5827 38.1892 177.9804 116 K 3.3732 6.9332 122.6693 58.8920 32.4898 178.7136 117 Q 3.9449 8.2813 118.7257 58.6562 28.4836 178.8285 118 V 2.0000 7.6793 119.8273 65.2622 31.0040 178.2461 119 S 3.9444 7.7218 114.1384 61.2297 62.6333 176.4742 120 S 3.9647 7.8549 116.9116 61.1962 62.3529 176.2712 121 F 4.3374 7.6462 116.8437 59.6318 37.5987 177.6236 122 V 3.4225 7.5272 118.9948 65.7848 31.2847 177.7360 123 A 4.0116 8.2461 120.8283 55.2709 18.2427 179.2565 124 E 3.9403 8.5404 117.3463 59.5919 29.4984 179.4591 125 F 3.9413 8.3002 119.8997 61.3509 39.5388 176.9646 126 I 3.6510 7.9804 119.3961 64.6657 36.9536 177.9906 127 M 4.0148 8.3650 118.9907 59.0121 31.9570 178.1364 128 N 4.3201 8.3962 115.4161 55.7582 38.7111 176.4567 129 N 4.4053 7.7681 116.9986 53.9693 39.5049 175.7728 130 T 4.5158 8.1179 107.4813 60.0461 70.6315 175.8738 131 G 3.7388 8.2656 110.5095 47.4888 0.0000 175.4929 132 E 3.9299 8.0896 121.2427 58.6202 29.7208 178.2514 133 W 3.9907 8.2004 127.9701 60.6820 30.6662 177.7012 134 I 3.3736 8.3343 119.9588 64.2631 36.2798 178.3561 135 R 3.8609 7.6017 118.2418 59.6224 30.0574 178.4119 136 Q 4.0599 7.8920 115.8633 57.4018 28.7778 176.4814 137 N 4.5390 7.5208 117.9557 52.6731 39.2646 176.1232 138 G 3.9169 8.1398 105.6644 44.3523 0.0000 175.9526 139 G 4.1444 8.0257 109.1647 45.2967 0.0000 174.2162 140 W 4.3635 8.7063 116.4313 59.1912 29.6532 178.4003 141 E 4.2666 8.4714 116.9058 58.3521 29.0682 176.7558 142 D 4.7624 7.5655 117.2577 55.7878 41.9782 178.5193 143 G 4.0000 8.5012 104.4453 48.8390 0.0000 174.9327 144 F 2.6019 7.7919 120.6408 60.0676 39.8290 178.0199 145 I 3.5348 7.2996 117.9229 64.3258 36.6844 178.7250 146 K 4.0272 7.8930 118.3765 58.9502 31.8717 179.0369 147 K 3.8369 7.5719 119.3306 58.6588 32.0355 177.7805 148 F 4.7485 7.0964 114.9709 56.2820 39.3981 175.4326 149 E 4.0676 7.5560 123.6829 56.9165 31.2672 174.1814 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 8.19 4.55 0.00 3.88 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 1 M 8.15 3.96 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 2 A 8.78 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.15 3.93 0.00 2.22 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 2.42 2.44 0.00 4 S 8.37 4.19 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.58 4.09 0.00 2.22 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 2.46 2.55 0.00 6 L 8.19 4.11 0.00 1.91 1.87 0.95 0.86 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 7 M 8.25 4.13 0.00 2.16 2.26 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 2.81 2.57 0.00 8 H 8.53 4.26 0.00 3.38 3.39 0.00 5.79 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 9 I 7.92 3.57 2.12 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.97 1.04 0.00 0.00 10 H 8.47 4.21 0.00 3.30 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.08 4.16 0.00 4.14 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.87 3.78 0.00 1.58 1.21 -0.82 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.47 4.45 1.49 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 0.00 0.00 14 E 8.45 4.02 0.00 2.02 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 2.18 2.23 0.00 15 H 8.32 4.24 0.00 3.27 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.26 4.16 0.00 3.00 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 17 L 8.21 3.97 0.00 2.04 1.78 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.26 3.58 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 1.67 2.11 0.00 19 Y 7.95 3.98 0.00 3.02 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 20 V 7.32 3.35 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 0.84 0.00 0.00 0.51 0.00 0.00 21 L 7.38 4.23 0.00 1.47 1.53 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.44 3.19 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 23 V 7.40 4.33 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 0.66 0.00 0.00 0.77 0.00 0.00 24 P 0.00 4.12 0.00 2.11 2.19 0.00 3.67 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 1.95 2.19 0.00 25 A 8.43 4.18 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 26 F 7.99 3.54 0.00 3.21 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 27 E 8.12 4.40 0.00 2.00 1.82 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 2.20 2.10 0.00 28 S 7.43 4.72 0.00 3.88 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 29 A 8.25 4.13 1.22 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 0.00 0.00 30 P 0.00 4.16 0.00 1.98 1.92 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 31 S 8.30 4.39 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 3.92 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 33 A 8.04 4.21 1.45 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 34 C 7.92 3.87 0.00 3.21 2.89 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 35 R 7.88 3.79 0.00 2.02 1.92 0.00 3.09 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 36 V 8.02 3.54 2.24 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 0.82 0.00 0.00 0.98 0.00 0.00 37 L 8.32 4.05 0.00 1.65 1.62 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.10 4.04 0.00 1.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 1.78 2.29 0.00 39 R 7.88 3.93 0.00 1.95 2.02 0.00 3.11 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 40 V 8.23 3.51 1.63 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 0.44 0.00 0.00 0.77 0.00 0.00 41 A 8.33 3.96 0.75 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 0.00 0.00 42 F 8.68 4.55 0.00 3.69 3.48 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 43 S 8.21 4.10 0.00 4.14 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 44 V 7.62 3.53 2.29 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 1.12 0.00 0.00 1.02 0.00 0.00 45 Q 8.20 4.04 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 46 K 7.94 3.71 0.00 1.78 1.69 0.00 1.64 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.86 0.29 7.81 47 E 8.27 3.91 0.00 2.12 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 2.31 2.47 0.00 48 V 8.17 3.58 2.38 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 1.13 0.00 0.00 1.02 0.00 0.00 49 E 8.24 4.14 0.00 2.01 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 2.39 2.51 0.00 50 K 7.90 4.08 0.00 1.86 2.07 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 51 N 8.44 4.76 0.00 2.84 2.86 0.00 0.00 7.00 7.42 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 52 L 8.32 4.88 0.00 1.84 1.75 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.45 3.90 0.00 2.12 1.85 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 54 S 8.09 4.08 0.00 3.89 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 55 Y 8.07 4.12 0.00 3.25 3.19 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 56 L 8.46 4.05 0.00 1.81 1.62 1.02 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.10 4.44 0.00 2.74 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 58 D 7.43 4.81 0.00 2.83 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 59 F 7.11 4.96 0.00 3.24 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 60 H 8.86 4.91 0.00 3.13 3.25 0.00 5.85 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 61 V 8.82 4.35 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 0.91 0.00 0.00 1.13 0.00 0.00 62 E 8.47 4.29 0.00 2.01 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 0.00 2.31 2.40 0.00 63 S 7.53 4.70 0.00 3.85 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 64 I 8.38 3.80 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.61 1.11 0.00 0.00 65 D 8.06 4.38 0.00 2.75 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 66 T 7.82 3.96 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 1.28 0.00 0.00 67 A 8.22 4.04 1.55 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 68 R 8.04 2.51 0.00 1.47 1.93 0.00 3.05 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.29 0.00 69 I 7.31 3.62 1.99 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 1.49 0.53 0.88 0.00 0.00 70 I 7.99 3.71 1.93 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 1.28 0.67 0.84 0.00 0.00 71 F 8.47 4.36 0.00 3.23 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 72 N 8.16 4.11 0.00 2.86 2.85 0.00 0.00 6.86 8.12 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 73 Q 8.02 3.93 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.26 0.00 74 V 7.78 3.34 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 0.33 0.00 0.00 0.85 0.00 0.00 75 M 7.71 3.76 0.00 0.51 0.85 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.34 0.00 76 E 8.33 4.17 0.00 2.22 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 2.34 2.40 0.00 77 K 7.71 4.10 0.00 1.93 1.71 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.31 7.81 78 E 8.07 4.08 0.00 1.78 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 1.47 1.94 0.00 79 F 7.84 4.62 0.00 3.45 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 80 E 7.48 3.98 0.00 2.05 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 0.00 2.35 2.43 0.00 81 D 7.94 4.35 0.00 2.73 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 82 G 8.03 3.90 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 0.00 0.00 0.00 83 I 7.99 4.14 1.94 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 1.27 0.58 0.84 0.00 0.00 84 I 7.95 4.37 0.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 -0.30 0.00 0.00 85 N 7.67 4.10 0.00 2.94 2.77 0.00 0.00 6.28 8.88 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 86 W 8.81 4.74 0.00 3.48 3.61 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 0.00 0.00 0.00 0.00 87 G 8.55 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 88 R 8.32 4.03 0.00 2.02 2.08 0.00 3.11 0.00 0.00 2.71 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 89 I 8.05 4.10 2.45 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 1.49 0.00 0.00 90 V 8.42 3.99 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.23 0.00 0.00 91 T 7.98 4.10 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 1.30 0.00 0.00 92 I 7.82 3.89 2.05 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 1.77 1.22 1.16 0.00 0.00 93 F 8.42 4.17 0.00 3.15 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 94 A 8.20 4.25 1.58 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 95 F 8.94 4.46 0.00 3.30 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 96 G 8.65 3.90 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 0.00 0.00 0.00 97 G 8.57 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 98 V 8.10 3.81 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 1.08 0.00 0.00 1.11 0.00 0.00 99 L 7.78 3.97 0.00 1.85 1.72 1.06 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.01 3.99 0.00 1.93 1.79 0.94 0.28 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 0.00 101 K 8.17 4.00 0.00 2.03 1.94 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 102 K 7.75 4.46 0.00 1.95 1.93 0.00 1.48 0.00 0.00 1.24 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.45 7.81 103 L 8.54 4.34 0.00 1.98 1.76 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.19 4.07 0.00 1.82 1.80 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 105 Q 8.16 4.27 0.00 2.29 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 106 E 7.72 4.44 0.00 2.07 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 0.00 2.29 2.29 0.00 107 Q 7.05 4.62 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 108 I 8.42 3.80 1.87 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 1.35 0.80 0.91 0.00 0.00 109 A 7.54 4.51 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.43 4.33 0.00 1.79 1.69 0.94 0.79 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 0.00 111 D 8.33 4.78 0.00 2.93 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 0.00 112 V 8.22 4.39 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 0.73 0.00 0.00 0.93 0.00 0.00 113 S 8.62 5.75 0.00 3.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.17 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 4.06 0.00 3.20 3.19 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 0.00 116 K 6.93 3.37 0.00 1.31 1.52 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.22 7.81 117 Q 8.28 3.94 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 118 V 7.68 2.00 1.82 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 0.61 0.00 0.00 0.91 0.00 0.00 119 S 7.72 3.94 0.00 4.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.85 3.96 0.00 3.80 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 0.00 121 F 7.65 4.34 0.00 3.21 3.29 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 0.00 122 V 7.53 3.42 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 0.82 0.00 0.00 0.41 0.00 0.00 123 A 8.25 4.01 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 0.00 124 E 8.54 3.94 0.00 2.14 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 2.37 2.50 0.00 125 F 8.30 3.94 0.00 3.44 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.65 2.03 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 1.10 0.00 0.00 127 M 8.37 4.01 0.00 2.26 2.15 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 2.61 2.66 0.00 128 N 8.40 4.32 0.00 2.54 2.75 0.00 0.00 7.11 8.04 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 0.00 129 N 7.77 4.41 0.00 1.73 2.16 0.00 0.00 6.78 8.40 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 0.00 130 T 8.12 4.52 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 0.83 0.00 0.00 131 G 8.27 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.09 3.93 0.00 2.09 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 0.00 2.37 2.41 0.00 133 W 8.20 3.99 0.00 3.33 3.19 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 0.00 134 I 8.33 3.37 2.02 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 0.94 0.46 0.74 0.00 0.00 135 R 7.60 3.86 0.00 1.92 2.14 0.00 3.27 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 136 Q 7.89 4.06 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.20 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 137 N 7.52 4.54 0.00 1.44 2.14 0.00 0.00 6.96 9.15 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 0.00 138 G 8.14 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 0.00 139 G 8.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 W 8.71 4.36 0.00 3.63 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 0.00 141 E 8.47 4.27 0.00 2.04 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 2.37 2.48 0.00 142 D 7.57 4.76 0.00 2.99 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.79 2.60 0.00 1.71 3.09 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 0.00 145 I 7.30 3.53 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.30 0.94 0.00 0.00 146 K 7.89 4.03 0.00 1.84 1.79 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 147 K 7.57 3.84 0.00 1.44 1.29 0.00 1.34 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.91 0.21 7.81 148 F 7.10 4.75 0.00 2.58 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 0.00 149 E 7.56 4.07 0.00 2.23 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 2.23 2.22 0.00