NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1720 8.3049 120.3260 55.3249 34.0476 176.6726 2 Y 4.5198 7.4632 113.4995 57.3155 38.3453 176.1120 3 R 3.9526 7.7286 121.2883 59.3092 30.8089 178.5422 4 K 4.0736 8.1061 118.2122 59.9466 32.4725 179.2033 5 G 3.5696 8.0542 106.2083 47.5384 0.0000 175.4307 6 A 4.0627 8.2493 123.4993 54.8485 18.3550 179.5838 7 Q 3.9186 8.3201 117.8705 59.2653 29.1029 178.1633 8 A 4.3738 8.1340 121.8191 55.3755 18.4227 179.3987 9 E 3.9961 8.4227 117.0103 59.7515 29.4250 179.8728 10 R 3.9794 7.8615 118.1528 59.3119 30.1454 179.0498 11 E 4.0496 8.3547 118.4873 59.3381 29.5112 179.1658 12 L 3.5490 8.3419 120.6809 57.8221 41.9762 178.9726 13 I 3.6469 7.7524 119.9437 64.2737 36.9519 178.4934 14 K 3.9601 7.7902 119.2940 59.4501 31.6825 179.2934 15 L 3.9662 7.5033 117.8745 57.8070 41.7866 179.4159 16 L 4.0022 7.8901 118.7098 57.8303 41.5285 179.3061 17 E 4.5926 8.2878 119.9511 58.9031 29.2104 179.3790 18 K 4.0495 8.3091 118.6545 59.0714 32.1692 177.4263 19 H 4.7879 8.1768 114.6044 55.2668 28.9682 175.7046 20 G 3.8743 8.4695 109.4348 45.0720 0.0000 173.6499 21 F 4.6735 8.0766 117.9904 56.1513 41.3012 174.3758 22 A 4.9624 8.9673 124.7678 50.6414 20.6167 176.3282 23 V 4.9974 8.4473 121.6181 61.1016 35.1148 174.9816 24 V 4.5384 8.6220 118.8309 59.5240 35.3312 174.4044 25 R 4.7892 8.4445 124.8598 54.6541 30.8969 175.7269 26 S 4.2313 8.9565 122.4482 58.1305 63.6095 173.0604 27 A 4.2991 8.5586 130.7614 53.3365 18.3641 177.2564 28 G 3.8968 8.6617 112.4283 44.5145 0.0000 173.0325 29 S 4.1341 7.1993 112.5512 57.7960 61.1323 174.0048 30 K 3.9743 8.3805 119.7770 59.4009 32.1739 178.0659 31 K 4.2379 7.8287 114.3585 57.4395 33.6482 176.3923 32 V 4.3949 6.6232 109.2075 59.9742 36.0516 175.3773 33 D 4.5011 8.9024 119.7448 56.2045 42.1960 177.2151 34 L 5.2707 7.5913 115.9594 52.8862 46.7961 175.7677 35 V 4.8408 8.4916 120.0366 61.2360 34.6519 174.1827 36 A 5.4028 9.2797 129.0932 50.4057 22.7900 174.8208 37 G 4.9878 9.2138 106.3248 44.3766 0.0000 172.9045 38 N 4.7095 8.1331 118.7647 51.9920 37.6822 176.1625 39 G 3.8235 8.3145 105.5521 46.2898 0.0000 174.4657 40 K 4.2994 7.5643 115.9744 57.1519 35.0431 176.4461 41 K 4.7063 8.6679 116.2587 54.6275 36.2194 174.4395 42 Y 5.4012 8.4159 116.5013 56.3918 41.9158 174.7085 43 L 5.2372 9.5895 122.6363 53.1440 45.8922 175.2587 44 C 5.0780 9.0014 120.3151 58.1290 30.9730 172.9278 45 I 4.9623 8.9273 125.3313 59.3231 40.1434 174.1976 46 E 4.8198 8.9248 127.5895 54.4865 31.5918 174.4094 47 V 4.8434 9.6660 128.4904 61.2638 33.1536 174.9743 48 K 4.7258 9.1263 126.9942 54.6194 35.7835 175.2913 49 V 4.5291 7.9236 121.1466 61.6687 34.7671 174.2190 50 T 4.5912 8.1396 119.9938 60.9550 70.6208 174.4724 51 K 4.0576 8.6791 125.6865 57.7864 32.7069 177.4242 52 K 4.3620 7.6346 118.7262 55.8637 32.9677 176.0801 53 D 4.8771 8.3815 116.6272 53.1727 39.4591 175.4722 54 H 5.1483 7.6020 112.4731 55.3564 31.1375 172.6072 55 L 4.5886 8.7818 121.4295 53.7940 45.7931 174.3012 56 Y 4.6779 8.5291 123.6081 57.0328 39.5000 174.8572 57 V 4.1337 8.2715 124.5583 60.8301 33.5221 175.7042 58 G 4.2387 8.6036 117.1031 44.6652 0.0000 174.3611 59 K 4.0599 8.6420 119.4748 59.8690 32.7750 179.2466 60 R 3.8652 7.9875 119.7686 59.0933 29.4969 177.5615 61 D 4.3381 8.1461 117.1828 57.9486 41.1144 178.1548 62 M 4.3268 7.9875 118.3732 58.0132 31.9610 178.9652 63 G 3.6378 8.5207 106.7313 47.6759 0.0000 175.7993 64 R 3.9539 8.0671 121.0818 59.0190 30.0627 178.3517 65 L 3.9868 7.6161 119.1137 58.3080 42.0628 178.9460 66 I 3.7346 8.0919 120.0451 64.4635 37.0520 178.0739 67 E 3.9462 8.3674 120.0906 59.2627 29.4308 178.6708 68 F 4.0694 8.4398 120.7699 61.3974 39.4599 177.4195 69 S 4.3218 8.6278 115.1207 61.3245 62.3544 176.6568 70 R 3.8804 8.0847 121.0839 59.4553 29.9569 178.5725 71 R 3.9655 7.6128 116.4269 59.1812 30.1626 178.5403 72 F 3.8400 7.8682 119.5463 60.2280 39.8451 176.4036 73 G 3.9964 9.2400 106.0239 45.7748 0.0000 172.5449 74 G 4.5509 7.7767 103.6604 43.9688 0.0000 172.9379 75 I 4.3567 8.6611 121.5851 59.8340 38.5082 173.9466 76 P 4.8935 0.0000 0.0000 62.8871 32.3872 175.1756 77 V 4.8206 8.9115 125.6354 60.7577 34.7616 173.7752 78 L 5.0941 8.8305 129.4256 53.3558 44.1887 174.5682 79 A 4.9326 8.9760 128.6348 50.1312 21.6684 174.8743 80 V 4.3924 8.4283 123.0846 60.9526 34.5344 174.2793 81 K 3.4474 8.0541 129.9770 54.5159 33.3372 175.3360 82 F 4.4769 8.7722 128.8425 55.9589 39.8520 175.6795 83 L 3.9975 8.2340 124.9491 56.3108 41.7744 177.9225 84 N 4.5478 9.3076 119.4850 53.5038 36.2029 174.4954 85 V 4.1859 8.6579 115.6113 62.4785 33.5380 176.1564 86 G 4.1395 7.0413 107.3140 43.8576 0.0000 170.6238 87 W 5.2374 8.2559 119.3098 55.5636 30.8539 176.6863 88 R 5.1057 8.7774 121.0988 54.7779 34.3470 174.2522 89 F 5.5538 9.8371 120.8490 56.1280 43.6627 173.9286 90 I 4.8762 8.4241 119.8627 59.8804 41.8803 173.1496 91 E 4.7684 8.9246 131.2122 55.7350 30.0848 176.2054 92 V 4.0714 8.5955 128.1934 61.3467 32.4600 176.0157 93 S 4.7669 8.4080 118.0059 56.0206 64.8829 172.3068 94 P 4.3554 0.0000 0.0000 65.6824 31.5633 177.3651 95 K 4.3264 7.7034 117.3720 56.3103 32.1862 176.7701 96 I 4.0440 7.3156 118.0998 61.7218 39.1921 173.3575 97 E 4.8943 8.1860 125.6960 54.5903 33.1071 174.1015 98 K 4.7396 8.6764 121.4544 57.1803 33.2737 176.2242 99 F 5.0830 8.9448 117.1086 56.0317 41.9751 172.6717 100 V 4.5058 8.5290 119.1511 61.0869 33.3410 174.2285 101 F 5.1051 9.3727 130.9125 56.7464 41.4569 174.4528 102 T 4.8775 8.5347 115.9292 58.4027 72.2265 173.2015 103 P 3.8243 0.0000 0.0000 63.7511 30.6642 176.6356 104 S 4.5615 7.0321 109.7889 58.1625 63.9721 175.1548 105 S 4.2089 8.0629 119.2796 61.1037 63.6248 175.2017 106 G 4.5003 7.1796 104.2603 46.3864 0.0000 175.2673 107 V 4.9558 9.8318 120.7080 59.1921 36.7068 173.7499 108 S 4.8250 8.6734 116.2066 58.1076 64.2065 175.2062 109 L 3.2119 8.8524 121.8787 58.1163 41.6987 178.9026 110 E 3.9667 8.0979 118.3253 59.4074 29.3392 179.5687 111 V 3.7119 7.8325 119.1115 64.3648 31.3624 178.1871 112 L 3.9607 7.8651 120.4511 58.0908 42.0886 178.7288 113 L 4.1928 7.7063 116.4381 55.7890 41.7563 178.0477 114 G 4.0862 7.6372 106.9344 45.1533 0.0000 174.9321 115 I 3.6641 7.5818 119.5092 62.2113 37.4631 175.7181 116 Q 3.8503 7.9553 125.4264 56.5073 30.3906 172.7465 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 1 M 8.30 4.17 0.00 1.50 1.87 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.20 0.00 2 Y 7.46 4.52 0.00 3.18 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.73 3.95 0.00 1.85 1.98 0.00 3.14 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 4 K 8.11 4.07 0.00 1.92 2.03 0.00 1.42 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 5 G 8.05 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 6 A 8.25 4.06 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 7 Q 8.32 3.92 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 8 A 8.13 4.37 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.42 4.00 0.00 2.24 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 2.37 2.57 0.00 10 R 7.86 3.98 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 11 E 8.35 4.05 0.00 2.47 2.20 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 2.43 2.70 0.00 12 L 8.34 3.55 0.00 1.05 1.49 0.31 1.21 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 13 I 7.75 3.65 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 1.50 0.57 0.91 0.00 0.00 14 K 7.79 3.96 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.65 7.81 15 L 7.50 3.97 0.00 1.59 1.55 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.89 4.00 0.00 1.77 1.60 0.73 0.28 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 17 E 8.29 4.59 0.00 2.18 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 2.47 2.33 0.00 18 K 8.31 4.05 0.00 1.86 2.10 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.48 7.81 19 H 8.18 4.79 0.00 3.38 3.46 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.47 3.87 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 0.00 0.00 0.00 21 F 8.08 4.67 0.00 3.08 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 22 A 8.97 4.96 1.30 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 0.00 0.00 23 V 8.45 5.00 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 0.89 0.00 0.00 0.96 0.00 0.00 24 V 8.62 4.54 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 0.80 0.00 0.00 1.01 0.00 0.00 25 R 8.44 4.79 0.00 1.80 1.81 0.00 3.40 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 26 S 8.96 4.23 0.00 3.80 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 27 A 8.56 4.30 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 28 G 8.66 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 29 S 7.20 4.13 0.00 3.95 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 K 8.38 3.97 0.00 1.68 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 31 K 7.83 4.24 0.00 1.11 1.14 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.55 7.81 32 V 6.62 4.39 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 0.54 0.00 0.00 0.50 0.00 0.00 33 D 8.90 4.50 0.00 2.67 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 34 L 7.59 5.27 0.00 1.47 1.43 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.49 4.84 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 0.74 0.00 0.00 0.70 0.00 0.00 36 A 9.28 5.40 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 37 G 9.21 4.99 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 38 N 8.13 4.71 0.00 2.14 1.42 0.00 0.00 6.14 7.58 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 39 G 8.31 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 40 K 7.56 4.30 0.00 1.72 1.71 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.24 7.81 41 K 8.67 4.71 0.00 1.79 1.72 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 42 Y 8.42 5.40 0.00 3.06 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 43 L 9.59 5.24 0.00 1.42 1.44 0.28 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 44 C 9.00 5.08 0.00 2.93 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 45 I 8.93 4.96 1.83 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 1.09 0.76 0.98 0.00 0.00 46 E 8.92 4.82 0.00 2.06 1.77 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 2.18 2.22 0.00 47 V 9.67 4.84 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 1.04 0.00 0.00 1.00 0.00 0.00 48 K 9.13 4.73 0.00 1.40 1.46 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.32 7.81 49 V 7.92 4.53 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 0.57 0.00 0.00 0.83 0.00 0.00 50 T 8.14 4.59 4.06 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 1.01 0.00 0.00 51 K 8.68 4.06 0.00 1.75 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 52 K 7.63 4.36 0.00 1.81 1.68 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.33 7.81 53 D 8.38 4.88 0.00 2.65 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 54 H 7.60 5.15 0.00 2.99 3.17 0.00 5.49 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 55 L 8.78 4.59 0.00 1.64 1.47 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.53 4.68 0.00 2.88 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 57 V 8.27 4.13 0.79 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 0.93 0.00 0.00 0.45 0.00 0.00 58 G 8.60 4.24 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 0.00 0.00 0.00 59 K 8.64 4.06 0.00 2.05 2.15 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 60 R 7.99 3.87 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 61 D 8.15 4.34 0.00 2.83 2.81 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 62 M 7.99 4.33 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.00 0.00 63 G 8.52 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.07 3.95 0.00 1.93 2.11 0.00 3.22 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 65 L 7.62 3.99 0.00 1.85 1.87 0.98 1.08 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 66 I 8.09 3.73 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 1.45 0.70 0.95 0.00 0.00 67 E 8.37 3.95 0.00 2.20 2.20 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 2.35 2.42 0.00 68 F 8.44 4.07 0.00 3.19 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 69 S 8.63 4.32 0.00 4.11 4.24 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 70 R 8.08 3.88 0.00 1.97 2.13 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 71 R 7.61 3.97 0.00 1.78 1.81 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 72 F 7.87 3.84 0.00 2.40 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.24 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 74 G 7.78 4.55 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 75 I 8.66 4.36 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 1.03 0.00 0.00 76 P 0.00 4.89 0.00 2.16 2.28 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.00 0.00 77 V 8.91 4.82 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 1.06 0.00 0.00 1.01 0.00 0.00 78 L 8.83 5.09 0.00 1.78 1.43 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.98 4.93 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 80 V 8.43 4.39 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 -0.04 0.00 0.00 0.39 0.00 0.00 81 K 8.05 3.45 0.00 0.79 0.79 0.00 1.21 0.00 0.00 1.26 0.00 0.00 2.64 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.70 0.21 7.81 82 F 8.77 4.48 0.00 3.08 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.23 4.00 0.00 1.47 1.58 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 N 9.31 4.55 0.00 2.89 3.00 0.00 0.00 6.83 7.68 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 85 V 8.66 4.19 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 0.87 0.00 0.00 0.87 0.00 0.00 86 G 7.04 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 87 W 8.26 5.24 0.00 3.27 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 88 R 8.78 5.11 0.00 2.23 2.03 0.00 3.38 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 89 F 9.84 5.55 0.00 2.93 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 90 I 8.42 4.88 2.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.94 0.00 0.00 91 E 8.92 4.77 0.00 2.06 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 0.00 2.31 2.48 0.00 92 V 8.60 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 0.81 0.00 0.00 0.95 0.00 0.00 93 S 8.41 4.77 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 94 P 0.00 4.36 0.00 2.07 2.19 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 95 K 7.70 4.33 0.00 1.87 1.88 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.41 7.81 96 I 7.32 4.04 2.11 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 1.39 0.81 0.95 0.00 0.00 97 E 8.19 4.89 0.00 2.01 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 2.27 2.36 0.00 98 K 8.68 4.74 0.00 1.89 1.88 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.53 7.81 99 F 8.94 5.08 0.00 3.23 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 0.00 100 V 8.53 4.51 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 0.47 0.00 0.00 0.87 0.00 0.00 101 F 9.37 5.11 0.00 2.98 2.93 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 0.00 102 T 8.53 4.88 3.96 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 1.16 0.00 0.00 103 P 0.00 3.82 0.00 1.81 1.29 0.00 3.22 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 104 S 7.03 4.56 0.00 3.95 3.78 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 0.00 105 S 8.06 4.21 0.00 2.72 3.70 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 0.00 106 G 7.18 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.83 4.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.13 0.00 0.00 108 S 8.67 4.82 0.00 4.02 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 0.00 109 L 8.85 3.21 0.00 1.38 1.51 -0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.10 3.97 0.00 2.12 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 2.45 2.52 0.00 111 V 7.83 3.71 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 0.91 0.00 0.00 0.96 0.00 0.00 112 L 7.87 3.96 0.00 1.67 1.69 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.71 4.19 0.00 1.65 1.77 0.73 0.71 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 0.00 114 G 7.64 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 0.00 0.00 0.00 115 I 7.58 3.66 2.01 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 1.34 0.95 0.93 0.00 0.00 116 Q 7.96 3.85 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00