NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5716 8.3049 120.2657 55.1414 33.7428 174.4165 2 E 4.0591 8.5930 122.0444 55.5562 30.3909 174.4927 3 H 4.8626 8.9062 122.8974 54.3980 30.1714 174.7660 4 V 4.3077 8.1797 122.6317 61.0601 34.7257 174.1250 5 A 4.5460 8.4349 129.8392 50.5621 19.9432 176.1548 6 F 3.0646 8.5128 123.9733 59.5828 39.6211 175.6605 7 G 3.5975 7.5888 115.2830 45.0684 0.0000 173.6879 8 S 4.1760 7.3476 116.2262 58.2500 63.3618 175.4639 9 E 3.9827 8.8127 123.7946 58.7232 29.6617 177.4942 10 D 4.9772 7.6734 117.7886 52.7395 40.1627 178.0893 11 I 3.5853 7.4641 123.1705 64.9722 37.5851 176.7925 12 E 4.0639 8.0689 117.3897 59.1800 29.3333 178.4576 13 N 4.5334 8.1550 117.6717 56.4248 38.3680 177.4989 14 T 3.8863 7.7635 116.6830 66.5622 68.6104 176.1649 15 L 4.1434 8.1180 119.2270 56.1119 41.5534 178.8520 16 A 4.2626 7.6617 120.1505 54.3421 18.3687 178.8446 17 K 4.2052 7.6327 115.4973 57.3976 33.5711 176.8944 18 M 4.5574 7.2988 120.6365 54.5742 33.0851 176.5123 19 D 4.8012 8.8262 124.0023 52.2777 42.2674 177.2025 20 D 4.5489 8.6738 118.9654 56.6892 38.8669 178.8203 21 G 3.6083 8.0685 105.7687 47.7584 0.0000 175.2901 22 Q 4.1463 9.1448 120.8826 58.6146 28.8322 178.7704 23 L 3.9610 8.0956 120.0401 57.6899 41.4215 178.8932 24 D 4.6537 7.8037 117.4434 55.9462 40.9880 177.6772 25 G 3.8766 7.9476 105.9901 43.8513 0.0000 173.7566 26 L 4.1079 6.8224 120.2563 54.2506 42.0913 177.0842 27 A 4.2859 7.9724 122.6366 53.0259 18.9300 177.0111 28 F 5.1245 6.7363 109.6878 54.4674 41.7048 174.8124 29 G 4.1513 9.5441 107.0039 45.9681 0.0000 172.6623 30 A 5.5410 9.3979 124.4740 50.2717 22.9551 175.0657 31 I 5.0038 9.0185 122.9838 59.4213 41.2064 174.2016 32 Q 4.6353 8.9500 127.7098 54.1483 31.1896 174.1405 33 L 5.3140 8.7834 126.2466 52.8985 45.6159 176.4883 34 D 5.4094 8.2545 121.6276 51.6153 40.9212 177.3185 35 G 3.8387 8.9811 107.5359 47.8697 0.0000 174.2016 36 D 4.6926 8.5115 118.1126 54.4740 41.6415 177.2536 37 G 4.0798 8.7829 108.5969 45.3253 0.0000 173.1405 38 N 4.9285 8.6084 117.7036 52.7493 39.4297 174.2156 39 I 4.4206 8.4734 123.3306 61.1551 37.7213 176.4621 40 L 4.3477 9.0471 127.8921 56.2938 42.9903 177.2208 41 Q 4.7230 7.7275 115.3308 54.7582 33.7402 174.0812 42 Y 4.9997 8.4763 122.5349 57.1085 41.5555 173.8827 43 N 5.0212 8.7330 125.2228 51.6530 39.8393 176.2698 44 A 4.0573 9.0616 120.4803 55.2525 18.4265 179.8064 45 A 3.9832 7.9432 118.8880 55.1168 18.3456 179.3547 46 E 3.9949 8.3748 117.6553 59.4450 29.7385 179.1437 47 G 3.8824 8.1658 105.4728 47.9542 0.0000 175.4040 48 D 4.4289 8.0460 120.4486 57.2656 40.8561 178.5891 49 I 4.0009 7.6341 119.5801 63.7993 37.3226 177.5756 50 T 4.5892 8.2054 107.5925 61.0278 69.9140 175.5871 51 G 4.0140 8.4851 110.0444 45.3833 0.0000 174.1624 52 R 4.0637 7.5105 118.1797 55.7745 30.9189 175.6071 53 D 4.6391 8.3802 120.9198 52.7744 41.5610 175.1218 54 P 4.1458 0.0000 0.0000 65.9152 31.1537 178.6382 55 K 4.0936 7.8892 115.6070 58.8659 32.0673 178.8705 56 Q 4.1413 7.8881 117.1977 57.4202 29.1205 176.9746 57 V 3.9969 7.1498 111.7161 61.3992 32.6637 176.1498 58 I 3.9511 7.4089 121.3352 62.6596 37.2793 176.1483 59 G 3.9677 9.1078 114.4794 45.2180 0.0000 173.9583 60 K 4.2245 7.7947 119.1132 55.5603 33.2620 175.2046 61 N 4.9753 9.1202 119.9193 52.3518 39.8117 175.7036 62 F 3.8378 9.1678 128.9790 61.2363 39.6084 177.1808 63 F 3.7771 7.6322 117.4120 59.4800 39.1424 176.6806 64 K 4.0453 8.3089 120.9374 58.3349 32.5045 176.6497 65 D 4.6276 7.9080 115.7884 55.9050 42.3084 177.9276 66 V 3.6471 7.4584 116.2073 64.7037 32.5225 175.9871 67 A 4.2943 7.3302 121.0638 49.6553 18.5359 174.9434 68 P 4.1154 0.0000 0.0000 64.8130 31.9989 179.1821 69 C 4.2594 7.6976 112.9720 60.3944 29.8640 174.1582 70 T 4.1892 7.7429 110.2900 61.8962 68.8360 174.1113 71 D 5.2127 7.7237 123.3038 53.0626 39.8400 174.9106 72 S 4.7595 7.9834 117.3539 56.1983 65.6644 174.8942 73 P 4.2740 0.0000 0.0000 65.5312 31.2345 178.5246 74 E 4.1426 7.8076 115.3616 57.8770 29.2722 175.9776 75 F 4.5501 7.4497 118.7307 58.7315 42.3212 175.5677 76 Y 4.2112 9.1370 120.6335 60.7947 38.8621 179.0541 77 G 3.6245 8.2696 107.9549 47.1380 0.0000 175.8295 78 K 3.9625 7.9686 120.3647 58.9531 32.0666 178.9928 79 F 4.0661 8.4079 121.2104 61.2792 39.3792 177.4077 80 K 3.6690 8.3928 118.7972 59.7273 32.3215 178.7399 81 E 3.9138 8.0806 120.6493 58.8353 29.4759 179.0245 82 G 3.7402 7.8872 105.9289 46.7135 0.0000 175.8742 83 V 3.3009 7.3283 120.9265 64.9771 31.5515 177.6411 84 A 4.0617 7.6178 119.1647 55.3137 18.2837 179.4645 85 S 4.2962 7.9968 112.5634 59.2261 62.9677 175.5702 86 G 3.9655 8.9407 108.6564 45.5773 0.0000 172.5609 87 N 4.9932 7.7027 116.2275 51.8915 42.2007 172.9206 88 L 4.6975 8.3386 125.2408 54.3656 45.8395 173.6050 89 N 5.1725 8.7157 124.2811 53.5609 40.2897 172.7246 90 T 4.8860 9.2002 119.9210 60.4371 71.6187 171.8260 91 M 5.4456 8.6376 126.2775 53.9713 35.3919 174.0621 92 F 5.0207 8.4830 118.7648 56.0586 41.7342 173.0448 93 E 4.9108 8.9208 119.3986 56.4996 30.7701 174.9644 94 Y 4.8719 8.8424 121.9370 57.1168 43.2245 173.1567 95 T 4.9635 7.8044 119.1948 61.7780 71.0855 173.6830 96 F 5.3328 9.1097 126.1779 56.1910 40.5987 176.5099 97 D 4.8724 8.7951 120.5873 53.3730 40.6407 173.9570 98 Y 4.5365 8.2199 121.1427 57.6347 39.0363 174.8551 99 Q 3.3172 8.4332 126.9812 56.2053 26.3997 173.0651 100 M 4.6961 7.5578 111.4844 54.1757 33.9018 174.1372 101 T 3.9955 8.2885 116.6668 62.8494 69.1122 172.8320 102 P 4.6897 0.0000 0.0000 63.4281 32.1439 175.8695 103 T 4.6243 8.9837 120.5010 61.6084 71.8616 172.9364 104 K 4.6553 8.6562 128.0260 55.9501 33.8554 175.8025 105 V 4.5317 8.6883 119.4067 59.5633 36.8444 173.8695 106 K 4.7595 8.8304 123.8577 54.9310 34.1327 175.0944 107 V 5.0026 8.6010 127.3522 61.2682 34.4798 173.5272 108 H 5.3397 9.4409 127.3026 54.7565 32.6557 171.7805 109 M 5.1895 9.1329 126.0468 53.6026 34.5506 175.0953 110 K 5.1882 8.9484 123.6917 54.5391 36.3338 175.1282 111 K 4.3961 8.7695 128.6273 56.5102 32.7633 176.4536 112 A 4.5534 8.2026 128.8996 51.3744 18.8893 177.5857 113 L 4.0552 8.6955 121.1124 57.8268 42.5794 178.0006 114 S 4.3201 7.9259 112.7673 57.5037 63.8681 174.6357 115 G 3.7352 8.6921 112.0723 48.8354 0.0000 173.9817 116 D 5.0998 7.7335 118.3420 52.5395 40.7395 174.2619 117 S 4.9555 7.4003 112.9004 57.0067 67.2785 174.0157 118 Y 4.7733 8.6476 117.7804 56.2192 42.3947 174.3081 119 W 4.8065 9.2363 123.4395 55.2037 31.8080 175.4027 120 V 4.6346 8.6659 123.4282 61.2024 33.6364 174.1248 121 F 5.7738 9.1314 127.1237 55.9276 41.9525 174.9554 122 V 5.3027 9.3610 121.9644 61.2851 35.1042 174.2125 123 K 4.9446 8.7583 125.2694 55.0225 36.3036 175.8742 124 R 4.3662 8.4983 120.0404 56.2916 31.1075 177.2801 125 V 3.9375 7.7421 113.3060 61.6784 32.4273 175.7146 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 4.57 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 2 E 8.59 4.06 0.00 1.73 1.81 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 2.24 2.64 0.00 3 H 8.91 4.86 0.00 3.02 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.18 4.31 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 0.79 0.00 0.00 0.88 0.00 0.00 5 A 8.43 4.55 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.51 3.06 0.00 2.46 2.73 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 7 G 7.59 3.60 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 0.00 0.00 0.00 8 S 7.35 4.18 0.00 3.84 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 9 E 8.81 3.98 0.00 1.92 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 2.29 2.23 0.00 10 D 7.67 4.98 0.00 2.77 2.82 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 11 I 7.46 3.59 1.73 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.21 0.80 0.00 0.00 12 E 8.07 4.06 0.00 2.38 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 2.34 2.42 0.00 13 N 8.16 4.53 0.00 3.02 2.91 0.00 0.00 6.88 6.96 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 14 T 7.76 3.89 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 1.17 0.00 0.00 15 L 8.12 4.14 0.00 1.54 1.43 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.66 4.26 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 17 K 7.63 4.21 0.00 1.92 1.96 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.68 1.47 7.81 18 M 7.30 4.56 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 19 D 8.83 4.80 0.00 2.95 2.85 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 0.00 0.00 0.00 20 D 8.67 4.55 0.00 2.93 3.14 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 21 G 8.07 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 0.00 0.00 0.00 22 Q 9.14 4.15 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 23 L 8.10 3.96 0.00 1.97 1.76 1.20 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.80 4.65 0.00 2.83 2.73 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 25 G 7.95 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 0.00 0.00 0.00 26 L 6.82 4.11 0.00 1.23 0.52 0.58 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.97 4.29 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 28 F 6.74 5.12 0.00 3.33 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 29 G 9.54 4.15 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 0.00 0.00 0.00 30 A 9.40 5.54 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.02 5.00 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.57 0.81 0.00 0.00 32 Q 8.95 4.64 0.00 1.30 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 33 L 8.78 5.31 0.00 1.73 1.56 0.29 0.61 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 34 D 8.25 5.41 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.98 3.84 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 0.00 0.00 0.00 36 D 8.51 4.69 0.00 2.92 2.82 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 37 G 8.78 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.61 4.93 0.00 3.09 2.75 0.00 0.00 7.01 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 39 I 8.47 4.42 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 1.03 0.00 0.00 40 L 9.05 4.35 0.00 1.46 1.66 0.84 0.88 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 41 Q 7.73 4.72 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 42 Y 8.48 5.00 0.00 2.93 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 43 N 8.73 5.02 0.00 3.04 2.98 0.00 0.00 6.45 8.11 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 44 A 9.06 4.06 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 45 A 7.94 3.98 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 46 E 8.37 3.99 0.00 1.95 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 1.47 2.15 0.00 47 G 8.17 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 0.00 0.00 0.00 48 D 8.05 4.43 0.00 2.90 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 49 I 7.63 4.00 2.12 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 1.64 0.69 1.07 0.00 0.00 50 T 8.21 4.59 4.35 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 1.46 0.00 0.00 51 G 8.49 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 52 R 7.51 4.06 0.00 1.90 1.69 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 53 D 8.38 4.64 0.00 2.69 2.50 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 54 P 0.00 4.15 0.00 2.28 2.59 0.00 3.70 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 55 K 7.89 4.09 0.00 1.66 1.86 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.53 7.81 56 Q 7.89 4.14 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 57 V 7.15 4.00 1.79 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 0.56 0.00 0.00 0.06 0.00 0.00 58 I 7.41 3.95 1.85 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 1.55 0.76 0.96 0.00 0.00 59 G 9.11 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 60 K 7.79 4.22 0.00 1.86 1.67 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.44 7.81 61 N 9.12 4.98 0.00 2.77 2.72 0.00 0.00 7.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.17 3.84 0.00 2.70 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 63 F 7.63 3.78 0.00 2.49 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.31 4.05 0.00 1.67 1.75 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 65 D 7.91 4.63 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.65 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 0.65 0.00 0.00 0.81 0.00 0.00 67 A 7.33 4.29 -0.16 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 68 P 0.00 4.12 0.00 1.83 1.92 0.00 3.11 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 0.86 0.60 0.00 69 C 7.70 4.26 0.00 3.26 3.17 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 0.00 0.00 0.00 0.00 70 T 7.74 4.19 3.01 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 0.48 0.00 0.00 71 D 7.72 5.21 0.00 2.75 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 72 S 7.98 4.76 0.00 4.27 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.27 0.00 2.22 2.13 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 7.81 4.14 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 75 F 7.45 4.55 0.00 2.72 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 76 Y 9.14 4.21 0.00 3.01 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 77 G 8.27 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.97 3.96 0.00 1.94 1.85 0.00 1.11 0.00 0.00 1.49 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.36 7.81 79 F 8.41 4.07 0.00 3.39 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.39 3.67 0.00 1.79 1.72 0.00 1.08 0.00 0.00 1.36 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.89 1.44 7.81 81 E 8.08 3.91 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 82 G 7.89 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 83 V 7.33 3.30 1.72 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 0.94 0.00 0.00 -0.69 0.00 0.00 84 A 7.62 4.06 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 85 S 8.00 4.30 0.00 3.97 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 86 G 8.94 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 87 N 7.70 4.99 0.00 2.74 2.62 0.00 0.00 6.51 6.66 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 88 L 8.34 4.70 0.00 1.82 1.60 0.96 0.54 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 89 N 8.72 5.17 0.00 2.78 2.73 0.00 0.00 6.86 7.70 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 90 T 9.20 4.89 4.33 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 1.41 0.00 0.00 91 M 8.64 5.45 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 92 F 8.48 5.02 0.00 3.16 3.10 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 93 E 8.92 4.91 0.00 1.96 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 2.28 2.34 0.00 94 Y 8.84 4.87 0.00 3.33 2.85 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 0.00 0.00 0.00 95 T 7.80 4.96 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 1.24 0.00 0.00 96 F 9.11 5.33 0.00 3.05 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 97 D 8.80 4.87 0.00 2.77 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 98 Y 8.22 4.54 0.00 2.77 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.43 3.32 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 100 M 7.56 4.70 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 101 T 8.29 4.00 4.27 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 1.23 0.00 0.00 102 P 0.00 4.69 0.00 1.96 2.04 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 103 T 8.98 4.62 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 104 K 8.66 4.66 0.00 1.82 1.63 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.44 7.81 105 V 8.69 4.53 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 0.48 0.00 0.00 0.25 0.00 0.00 106 K 8.83 4.76 0.00 1.64 1.34 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.35 7.81 107 V 8.60 5.00 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 0.00 0.00 0.52 0.00 0.00 0.91 0.00 0.00 108 H 9.44 5.34 0.00 2.93 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.13 5.19 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 110 K 8.95 5.19 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.60 7.81 111 K 8.77 4.40 0.00 1.96 1.74 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 0.98 7.81 112 A 8.20 4.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 4.06 0.00 1.69 1.77 0.95 0.96 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 0.00 114 S 7.93 4.32 0.00 4.00 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 0.00 115 G 8.69 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 0.00 116 D 7.73 5.10 0.00 2.78 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 0.00 117 S 7.40 4.96 0.00 3.81 3.67 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 0.00 118 Y 8.65 4.77 0.00 3.25 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 0.00 119 W 9.24 4.81 0.00 2.96 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.67 4.63 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 1.18 0.00 0.00 0.86 0.00 0.00 121 F 9.13 5.77 0.00 2.79 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 0.00 122 V 9.36 5.30 2.50 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 1.25 0.00 0.00 1.26 0.00 0.00 123 K 8.76 4.94 0.00 1.61 1.47 0.00 1.01 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.94 7.81 124 R 8.50 4.37 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 125 V 7.74 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 0.57 0.00 0.00 0.88 0.00 0.00