NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4349 8.3349 115.4126 57.8961 64.6057 173.5733 2 K 4.1985 8.0210 119.6166 56.8270 33.2167 175.7917 3 T 4.2392 8.4486 118.3961 65.0105 70.5190 175.1402 4 N 4.4404 7.9155 120.6740 53.0131 39.6800 173.7734 5 P 4.3547 0.0000 0.0000 65.1379 31.4890 179.1544 6 R 3.8987 9.2232 118.3850 59.2099 30.1031 178.6873 7 L 3.9382 8.1020 119.6125 58.0821 41.9954 178.8177 8 S 4.0781 7.8694 113.2742 61.3450 62.3559 176.4236 9 S 4.0456 8.0825 117.8085 61.4591 62.6175 175.9832 10 L 3.8440 8.0876 123.4783 58.5223 41.8028 179.0609 11 I 3.6559 7.7409 119.0419 64.4325 37.0854 178.2550 12 A 3.9994 7.7148 121.0273 55.2803 18.2106 179.4147 13 D 4.2698 8.6451 117.6810 57.5196 40.8808 178.8063 14 L 3.8574 8.2308 119.8443 57.9286 41.5694 179.7157 15 K 3.9566 8.0192 117.9608 59.5463 31.5658 179.0492 16 S 4.0735 8.2312 113.0714 61.6793 62.0035 176.3690 17 A 4.1564 8.1061 122.8838 54.7552 18.2427 179.4032 18 A 4.1389 7.9469 118.4708 55.2119 18.4643 179.9359 19 R 4.0807 7.9861 115.9758 60.2694 30.4829 178.6574 20 S 4.1408 7.7975 113.4653 60.3981 62.6375 175.6122 21 S 4.3273 7.8110 117.0787 59.0352 63.6898 175.4231 22 G 4.0154 8.5714 108.8143 45.7515 0.0000 174.4676 23 G 3.6390 7.5130 107.6158 44.9672 0.0000 173.6913 24 A 4.5936 8.0177 121.8542 51.9343 21.5899 179.2973 25 V 3.4813 7.4054 109.2703 64.2284 31.5033 178.1137 26 W 5.0749 7.7306 118.3265 60.3511 28.9877 178.5043 27 G 3.6165 8.3269 104.7446 47.9912 0.0000 174.9081 28 D 4.3227 7.9330 119.7368 57.2428 41.2218 178.5687 29 V 3.6373 8.7116 119.0521 65.7689 31.3116 177.6593 30 A 4.0224 8.6445 120.4075 55.3083 18.6052 179.2777 31 E 4.2972 8.0969 118.0382 59.1773 29.6975 179.4955 32 R 3.9090 8.0174 118.6728 59.5048 29.8496 178.4724 33 L 3.8499 8.1000 118.1177 57.2005 41.7453 178.6582 34 E 4.2171 8.0287 117.5917 57.1753 29.3710 177.1555 35 K 4.3327 7.1687 118.2900 54.6368 33.2498 174.9386 36 P 4.2839 0.0000 0.0000 63.1800 32.0641 178.2297 37 R 3.5994 8.6111 122.0165 59.3318 30.3688 178.8002 38 R 3.9621 7.9465 113.4036 59.2037 29.4804 177.8808 39 T 4.0894 8.1449 108.0526 63.7951 69.2453 174.6095 40 H 4.4822 7.6404 118.4199 55.6873 29.6638 175.2573 41 A 4.2740 8.4856 121.7379 52.4790 19.8408 177.3987 42 E 4.9848 8.5657 119.6383 55.6399 32.0714 174.4691 43 V 4.5016 8.6819 124.7500 61.0401 34.8113 174.4214 44 N 5.8211 8.3385 122.6360 51.0621 41.4527 176.0881 45 L 4.1139 8.8565 119.4359 58.5959 41.4367 180.2396 46 G 3.9742 7.7106 104.1200 47.7764 0.0000 175.5075 47 R 4.0653 7.8250 120.6948 59.2373 30.3263 178.2751 48 I 3.7632 7.8443 119.1390 64.6655 36.8968 177.6386 49 E 3.9181 8.0472 118.5147 59.4746 29.4734 178.6543 50 R 3.7907 7.7332 117.5850 58.3979 30.1389 176.3869 51 Y 4.7071 7.6498 112.2121 57.3135 39.9315 175.4024 52 A 4.5721 7.9079 123.0810 51.3148 19.5626 176.6924 53 Q 4.5736 8.1564 116.2156 54.0530 31.6635 174.3985 54 E 3.8118 8.7742 120.2195 58.4080 30.0005 176.9109 55 D 4.4187 8.8940 119.4764 54.7204 38.3451 173.4265 56 E 4.7455 7.6701 119.2814 54.2383 31.5811 175.5829 57 T 4.1806 8.3678 124.6463 64.2098 69.8343 173.7211 58 V 4.3460 9.1347 127.3094 62.3328 33.2714 174.6962 59 V 4.7954 9.6144 129.1834 61.3165 33.7960 174.3863 60 V 5.0235 8.9869 129.7249 59.2543 33.0054 174.3342 61 P 4.7681 0.0000 0.0000 59.2902 29.5382 174.7791 62 G 4.1994 6.8401 119.4543 46.7504 0.0000 172.0934 63 K 4.8301 9.0200 126.0635 54.2325 36.0273 174.2738 64 V 4.7679 8.5284 125.7323 61.2821 33.6813 174.3113 65 L 4.9536 9.2637 128.5567 52.4039 44.1677 178.3593 66 G 4.0219 8.6346 109.3344 46.6829 0.0000 173.1653 67 S 4.6890 8.4833 116.5433 58.0767 65.0669 175.7690 68 G 4.0730 8.9312 110.7178 44.5550 0.0000 172.0385 69 V 4.3475 7.9595 117.0037 60.6465 33.7556 174.8038 70 L 4.8292 8.4676 127.6746 53.5478 43.9537 175.4142 71 Q 4.4739 10.7000 124.9047 56.8330 30.5940 176.9812 72 K 4.0269 8.1993 116.1806 56.8908 33.0055 176.9787 73 D 5.4773 8.3266 123.3560 52.5598 39.5879 174.7898 74 V 4.6816 7.6821 114.9055 59.2443 36.1417 174.8454 75 T 4.5951 8.4019 120.0267 62.7759 69.8861 173.7049 76 V 4.8976 8.5190 127.1228 61.0392 34.0024 174.1201 77 A 5.9400 9.5695 129.6776 49.6055 21.2530 174.9355 78 A 5.1550 8.4506 122.5936 49.4356 23.0695 176.9942 79 V 3.5258 8.0911 118.4360 66.0131 31.9262 175.4647 80 D 4.5996 7.3056 117.3574 53.2109 44.9188 173.3651 81 F 5.4914 8.4764 119.2826 55.2848 43.0006 175.2873 82 S 4.2973 8.9959 117.5599 58.1600 63.7805 175.5383 83 G 3.7269 8.9190 107.7085 48.3631 0.0000 176.1573 84 T 3.8644 7.9058 117.1447 66.3266 68.4944 176.1210 85 A 4.0189 7.9464 122.6615 55.5179 18.3842 179.1672 86 E 3.5921 8.1362 117.0080 59.6696 29.3350 179.4107 87 T 3.8263 7.3637 114.6847 66.7283 68.4154 176.8489 88 K 4.5714 8.2857 121.9567 58.6951 31.9940 179.7633 89 I 3.7491 8.0261 120.6764 64.4541 36.9573 177.9915 90 D 4.8267 7.8714 118.9846 56.0727 40.6875 178.3653 91 Q 4.2121 7.7103 118.3374 57.8681 28.7760 177.4339 92 V 4.6427 7.5052 109.3707 60.6335 34.7168 174.2547 93 G 4.0848 8.3812 111.6477 44.8488 0.0000 173.9634 94 E 4.8602 9.0108 124.7888 54.6685 33.3482 173.5865 95 A 4.4065 9.9341 130.8743 50.8985 19.7395 176.5276 96 V 4.5575 9.2381 123.7889 60.8903 34.9211 175.4025 97 S 4.8627 8.6525 121.3761 57.7479 64.0935 174.9891 98 L 3.9164 8.2266 124.0492 58.2678 41.5909 179.2999 99 E 3.8073 8.0975 118.2803 59.4843 29.2965 179.2119 100 Q 4.0343 7.8964 117.3180 58.6028 28.8189 178.0588 101 A 4.0180 7.7916 121.8601 55.6297 18.1937 179.4895 102 I 3.0996 7.2196 116.7933 64.5318 37.1720 177.9169 103 E 4.1008 7.3978 117.4890 59.1289 29.6885 178.0734 104 N 4.7085 8.3877 115.0327 54.5671 40.3357 175.6285 105 N 5.1072 8.1514 118.8567 52.3287 40.2263 172.4832 106 P 4.8819 0.0000 0.0000 63.3489 31.9740 177.6131 107 E 4.2889 8.3443 118.1345 55.7944 30.7125 175.4560 108 G 3.5325 7.8813 107.3684 46.2700 0.0000 172.8051 109 S 4.5732 7.7233 110.9679 57.3690 66.4412 174.0372 110 H 3.9976 8.1659 116.2489 57.3171 26.1577 174.5493 111 V 4.8143 7.3702 116.1767 59.8178 34.4572 176.0236 112 R 4.5540 9.1541 123.4316 54.4939 32.8795 174.3451 113 V 4.6858 8.4611 126.7141 62.4495 32.4380 174.8893 114 I 4.7225 9.0914 129.5868 59.3477 40.2559 176.3226 115 R 4.1823 8.3617 121.9221 56.4391 29.4910 174.7859 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 S 8.33 4.43 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.02 4.20 0.00 1.85 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.41 1.47 7.81 3 T 8.45 4.24 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 N 7.92 4.44 0.00 2.71 2.69 0.00 0.00 7.26 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.35 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 6 R 9.22 3.90 0.00 1.86 1.96 0.00 3.13 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 1.64 1.71 0.00 7 L 8.10 3.94 0.00 1.75 1.66 0.93 0.93 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 8 S 7.87 4.08 0.00 4.04 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 0.00 9 S 8.08 4.05 0.00 3.90 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 10 L 8.09 3.84 0.00 1.69 1.87 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.74 3.66 2.03 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 1.46 1.12 0.91 0.00 0.00 12 A 7.71 4.00 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 13 D 8.65 4.27 0.00 2.70 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 14 L 8.23 3.86 0.00 1.86 1.78 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.02 3.96 0.00 2.06 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 16 S 8.23 4.07 0.00 4.02 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 17 A 8.11 4.16 1.33 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 0.00 0.00 18 A 7.95 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.99 4.08 0.00 1.83 2.01 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 20 S 7.80 4.14 0.00 4.01 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 21 S 7.81 4.33 0.00 4.21 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 22 G 8.57 4.02 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 0.00 0.00 0.00 23 G 7.51 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 24 A 8.02 4.59 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 25 V 7.41 3.48 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 0.59 0.00 0.00 -0.45 0.00 0.00 26 W 7.73 5.07 0.00 3.32 3.23 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 27 G 8.33 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 28 D 7.93 4.32 0.00 3.02 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 29 V 8.71 3.64 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 1.08 0.00 0.00 1.18 0.00 0.00 30 A 8.64 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 31 E 8.10 4.30 0.00 2.23 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 2.40 0.00 32 R 8.02 3.91 0.00 1.91 2.03 0.00 3.12 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 33 L 8.10 3.85 0.00 1.75 1.72 0.90 0.68 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 34 E 8.03 4.22 0.00 2.22 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 2.34 2.56 0.00 35 K 7.17 4.33 0.00 2.10 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.64 7.81 36 P 0.00 4.28 0.00 2.17 1.97 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 37 R 8.61 3.60 0.00 1.80 1.92 0.00 3.09 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 38 R 7.95 3.96 0.00 1.91 2.06 0.00 3.02 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 8.14 4.09 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 1.22 0.00 0.00 40 H 7.64 4.48 0.00 3.19 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.49 4.27 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 42 E 8.57 4.98 0.00 1.82 1.87 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 2.21 2.31 0.00 43 V 8.68 4.50 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 1.03 0.00 0.00 0.95 0.00 0.00 44 N 8.34 5.82 0.00 2.70 2.99 0.00 0.00 7.62 6.74 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 45 L 8.86 4.11 0.00 1.82 1.74 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.71 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 47 R 7.83 4.07 0.00 1.94 2.00 0.00 3.26 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 48 I 7.84 3.76 1.92 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 0.89 0.97 0.00 0.00 49 E 8.05 3.92 0.00 1.99 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 2.45 2.32 0.00 50 R 7.73 3.79 0.00 1.66 1.26 0.00 2.44 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.27 0.00 51 Y 7.65 4.71 0.00 2.96 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 52 A 7.91 4.57 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.16 4.57 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 54 E 8.77 3.81 0.00 1.98 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 2.54 2.38 0.00 55 D 8.89 4.42 0.00 2.83 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 56 E 7.67 4.75 0.00 1.98 2.02 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 2.23 2.39 0.00 57 T 8.37 4.18 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 58 V 9.13 4.35 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 1.05 0.00 0.00 0.99 0.00 0.00 59 V 9.61 4.80 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 1.08 0.00 0.00 1.16 0.00 0.00 60 V 8.99 5.02 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 1.21 0.00 0.00 0.99 0.00 0.00 61 P 0.00 4.77 0.00 2.12 2.22 0.00 3.92 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 62 G 6.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.02 4.83 0.00 1.67 1.56 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.29 7.81 64 V 8.53 4.77 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 1.10 0.00 0.00 0.91 0.00 0.00 65 L 9.26 4.95 0.00 1.81 1.54 0.93 0.91 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 66 G 8.63 4.02 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 0.00 0.00 0.00 67 S 8.48 4.69 0.00 4.09 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 68 G 8.93 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 0.00 0.00 0.00 69 V 7.96 4.35 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.47 4.83 0.00 1.59 1.51 1.00 0.74 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 71 Q 10.70 4.47 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.20 4.03 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.76 7.81 73 D 8.33 5.48 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.68 4.68 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 0.92 0.00 0.00 1.00 0.00 0.00 75 T 8.40 4.60 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 1.26 0.00 0.00 76 V 8.52 4.90 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 1.21 0.00 0.00 1.01 0.00 0.00 77 A 9.57 5.94 1.39 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 0.00 0.00 0.00 0.00 0.00 78 A 8.45 5.15 0.59 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 0.00 0.00 79 V 8.09 3.53 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 0.69 0.00 0.00 0.88 0.00 0.00 80 D 7.31 4.60 0.00 2.74 2.35 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 81 F 8.48 5.49 0.00 2.86 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 82 S 9.00 4.30 0.00 3.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.91 3.86 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 85 A 7.95 4.02 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 86 E 8.14 3.59 0.00 2.03 1.94 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 2.19 2.13 0.00 87 T 7.36 3.83 4.47 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 1.20 0.00 0.00 88 K 8.29 4.57 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 89 I 8.03 3.75 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 0.84 0.00 0.00 90 D 7.87 4.83 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 91 Q 7.71 4.21 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 92 V 7.51 4.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 93 G 8.38 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 94 E 9.01 4.86 0.00 2.03 1.73 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 2.16 2.22 0.00 95 A 9.93 4.41 0.57 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 96 V 9.24 4.56 2.25 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.65 4.86 0.00 4.11 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.23 3.92 0.00 1.69 1.56 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.10 3.81 0.00 2.05 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 2.35 2.39 0.00 100 Q 7.90 4.03 0.00 2.27 2.14 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 2.36 2.36 0.00 101 A 7.79 4.02 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 0.00 102 I 7.22 3.10 1.71 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.66 0.00 0.00 103 E 7.40 4.10 0.00 1.96 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 0.00 2.31 2.33 0.00 104 N 8.39 4.71 0.00 2.76 2.90 0.00 0.00 6.78 7.94 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 0.00 105 N 8.15 5.11 0.00 2.90 3.05 0.00 0.00 6.79 7.10 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 0.00 106 P 0.00 4.88 0.00 2.32 2.32 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 107 E 8.34 4.29 0.00 2.25 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 2.28 2.31 0.00 108 G 7.88 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.72 4.57 0.00 3.99 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 0.00 110 H 8.17 4.00 0.00 3.31 3.34 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.37 4.81 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 0.46 0.00 0.00 0.84 0.00 0.00 112 R 9.15 4.55 0.00 1.98 1.80 0.00 3.14 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 113 V 8.46 4.69 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 0.83 0.00 0.00 0.90 0.00 0.00 114 I 9.09 4.72 1.92 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 1.49 1.38 0.99 0.00 0.00 115 R 8.36 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00