NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1715 8.1727 122.0507 56.2966 34.1370 174.0792 2 V 4.6253 8.1527 126.9294 60.6723 32.2710 174.5436 3 F 4.3264 9.8956 129.0086 57.6267 40.0519 174.8862 4 E 4.3097 9.1442 121.6041 55.6820 30.9268 177.1286 5 R 3.3879 9.0178 122.5620 60.5772 29.9846 179.5675 6 C 4.3592 8.0720 115.2620 59.5935 39.2976 175.6534 7 E 3.8938 8.1022 120.7927 59.1988 29.2771 178.4911 8 L 3.6185 8.2204 120.4060 57.8340 42.0721 178.5560 9 A 3.9540 7.9121 120.7253 55.5081 18.2731 179.9392 10 R 3.9187 8.1712 116.4519 59.4579 30.2085 179.4631 11 T 3.8368 7.9207 115.6278 66.7157 68.6253 176.6817 12 L 3.8671 8.1372 121.2480 57.4390 41.5757 179.5661 13 K 3.9107 8.0202 119.5975 59.7107 31.9947 179.1280 14 R 4.0004 7.9138 116.9476 58.9432 29.9523 178.0501 15 L 4.3916 7.4822 116.0658 54.0623 41.6687 176.8370 16 G 3.8662 7.9347 106.5585 47.1226 0.0000 175.3204 17 M 3.9043 7.6867 120.8501 56.2915 32.5346 175.8474 18 D 4.6593 7.9993 117.9060 56.0032 41.1893 175.9029 19 G 3.9400 9.3010 115.6956 45.3355 0.0000 171.4422 20 Y 4.1162 8.2450 121.9273 58.7527 38.8219 176.3485 21 R 3.6422 8.9654 126.5546 57.2909 27.7580 177.1868 22 G 3.7699 8.3130 103.2069 45.7875 0.0000 174.1152 23 I 4.0909 7.5803 121.7655 59.0327 37.6685 175.8869 24 S 4.6452 8.3604 121.0100 58.0623 64.7635 174.7955 25 L 4.2458 8.7721 123.9048 58.4364 41.7734 179.0370 26 A 4.1762 8.2227 120.2483 55.4875 18.3096 179.2367 27 N 4.5126 8.0631 114.0949 56.2738 38.5104 177.7733 28 W 4.3624 8.0279 120.4669 59.9687 29.1329 178.5297 29 M 4.2025 8.6342 118.9809 58.6564 31.5745 177.8924 30 C 3.2606 8.2397 118.6404 59.1963 44.8713 175.4156 31 L 4.1368 8.2215 121.6178 58.3466 41.7850 178.7337 32 A 4.2935 8.6498 121.0210 55.0771 18.2711 179.4956 33 K 2.9351 8.1718 117.9975 59.2694 32.0422 178.9960 34 W 4.2869 7.5405 116.6162 58.6482 29.1250 178.3407 35 E 4.3470 8.2466 118.7654 58.5745 29.6998 177.6102 36 S 4.5082 8.0982 109.7560 56.6529 64.5254 174.9024 37 G 3.3728 7.9581 108.9919 46.5236 0.0000 173.0765 38 Y 3.6462 7.6837 114.0880 58.8958 34.6458 168.5659 39 N 5.3730 7.5974 118.0014 51.8532 40.3455 175.3927 40 T 4.0272 8.8035 117.1383 64.1548 69.0986 176.0408 41 R 4.3462 8.0146 119.2440 56.2976 30.7417 176.4621 42 A 4.3300 7.5907 121.3713 52.5361 19.3151 176.8361 43 T 5.4813 8.2162 110.5575 59.6862 72.3969 172.9885 44 N 4.8663 8.3082 121.2678 52.3268 42.2777 172.1876 45 Y 4.6724 8.7349 128.0096 57.2385 40.9124 173.8933 46 N 4.7578 8.5750 125.0083 51.1827 38.5130 175.2435 47 A 3.5750 8.2789 127.3485 54.8354 18.8901 179.2698 48 G 3.7198 8.0729 103.9308 48.0382 0.0000 173.8600 49 D 4.7384 7.6595 115.4994 52.1645 39.8799 175.9748 50 R 4.0228 8.0371 115.8821 56.9577 28.1638 175.6839 51 S 4.9860 7.7791 112.2764 57.0054 66.5497 172.7003 52 T 5.1611 8.8987 115.6309 62.0282 72.8889 172.9418 53 D 5.3726 8.9348 125.5674 53.3347 43.0673 175.0942 54 Y 5.0463 9.2502 120.8858 57.3554 41.6697 177.4728 55 G 4.1158 9.0845 112.2901 44.8288 0.0000 173.4954 56 I 3.8922 8.2558 116.8535 62.8384 37.7248 177.0134 57 F 4.9275 7.9713 115.3387 56.4627 39.9998 175.1767 58 Q 3.5343 8.0514 119.4016 57.0861 26.6603 174.0961 59 I 4.2563 8.0159 118.9323 61.1831 39.1330 176.9025 60 N 5.4193 9.2696 125.2784 53.3079 40.0401 175.5770 61 S 4.8977 9.1042 119.7206 59.7906 63.4775 175.3227 62 R 3.7663 8.9374 122.8691 58.9658 30.2634 177.6215 63 Y 4.2541 7.5539 114.8912 57.8918 39.9251 176.8709 64 W 4.9306 8.0545 118.4491 57.8477 31.2806 173.9579 65 C 5.6176 8.3130 112.8231 53.5284 46.3101 171.8375 66 N 5.1831 8.9816 119.6626 52.0869 40.0964 174.7964 67 D 4.7922 8.7725 123.7209 52.3483 40.3901 177.3010 68 G 4.0178 8.4230 107.6561 45.9399 0.0000 174.5831 69 K 4.5008 8.2034 116.6185 56.5752 32.9372 175.6651 70 T 4.4893 7.6996 117.4746 61.4187 69.6261 172.4119 71 P 4.2904 0.0000 0.0000 63.6564 31.8842 176.4287 72 G 3.7860 8.8695 109.3462 46.0467 0.0000 173.4311 73 A 4.0839 7.3505 121.0540 52.3919 18.7931 178.5358 74 V 3.8312 8.5875 122.1117 62.7242 33.1282 175.6045 75 N 4.2257 8.0176 116.1154 54.3120 36.8871 175.1670 76 A 4.0156 8.1997 122.0558 55.4617 18.9402 178.8158 77 C 4.5225 8.6369 111.6330 57.7232 40.9251 173.0872 78 H 4.0745 7.9115 116.0454 56.7868 26.3033 174.4550 79 L 4.8464 8.0541 117.2453 52.8219 46.1093 176.6068 80 S 4.6813 8.3537 115.7310 57.9039 63.2747 176.0071 81 C 4.0201 8.6600 124.5070 59.7746 37.9721 176.3629 82 S 3.8285 7.6725 115.0141 61.2729 61.6488 175.9639 83 A 4.1314 7.9274 122.4831 54.1995 17.7843 177.8867 84 L 4.4728 7.8404 116.7174 54.8714 41.8452 177.5123 85 L 5.4398 7.6839 116.6145 53.6959 42.3573 176.7450 86 Q 4.3508 7.7828 117.7466 55.4604 29.4759 176.0091 87 D 4.4243 8.5079 119.6484 56.9876 41.1700 176.7522 88 N 4.6117 8.0510 118.2285 53.1338 39.3180 174.6579 89 I 4.2561 8.4167 118.6965 61.0342 38.0419 176.9937 90 A 3.9257 8.4110 125.1722 55.9978 18.1536 180.1294 91 D 4.2892 8.0586 116.4871 57.2459 40.9082 178.6247 92 A 4.0515 7.9419 120.9460 55.1677 18.4719 179.6915 93 V 3.3508 8.1464 116.8724 66.0006 31.4477 178.1106 94 A 3.8364 7.8775 120.5772 55.2592 18.1933 178.8355 95 C 4.1719 8.2788 116.7934 59.6013 37.8744 175.6466 96 A 3.5449 8.1561 122.7260 54.7413 17.5502 179.8265 97 K 3.7199 7.4802 116.6392 59.3536 32.3290 179.1676 98 R 4.0291 7.5155 119.1561 59.3400 30.0091 178.4132 99 V 2.3744 7.3116 117.8858 65.9311 30.9972 178.1875 100 V 3.7601 7.5292 110.1590 62.9830 31.2001 177.8464 101 R 4.2690 7.4976 116.7562 56.5792 30.5760 176.3824 102 D 4.7355 7.6046 119.7164 52.9343 41.7129 175.4902 103 P 4.2594 0.0000 0.0000 65.8135 31.1337 177.9854 104 Q 3.9771 8.1665 118.8084 56.6278 30.1825 176.6509 105 G 4.0663 8.0069 106.9380 46.6278 0.0000 174.6357 106 I 3.4052 7.5656 118.7477 62.5463 38.2069 178.4686 107 R 3.9273 7.0560 118.5149 59.2495 30.2364 177.2672 108 A 4.2277 7.9022 119.4512 54.2834 18.5381 177.6378 109 A 4.1715 7.7060 121.5521 51.8909 18.3334 178.3007 110 V 3.6656 8.6922 122.9708 66.7340 31.5179 177.7409 111 A 4.0162 8.1223 120.0612 54.8387 18.2492 179.2872 112 W 4.0013 8.3436 126.9379 60.5899 30.5736 178.4679 113 R 3.7003 8.1043 116.4507 59.4164 29.6759 178.3834 114 N 4.4266 8.1792 115.3936 55.1438 38.6370 176.0855 115 R 4.2223 7.4939 112.5799 55.5390 30.5594 175.1127 116 C 4.5504 8.1460 116.1507 58.0537 42.7058 174.4166 117 Q 3.1349 6.5485 119.6607 56.9284 28.7936 175.1614 118 N 4.2292 8.7065 120.6020 54.1550 36.1548 173.8387 119 R 4.5411 7.2436 115.6316 53.9202 33.4255 175.4101 120 D 4.4924 8.5447 119.3032 54.5802 40.7113 175.9966 121 V 4.6320 8.2682 119.3763 61.0401 32.5370 178.3226 122 R 4.1315 7.9838 119.1572 58.7913 29.4816 178.6668 123 Q 4.0096 8.0698 116.0009 59.1052 28.4819 177.4738 124 Y 4.3456 7.8124 115.6721 60.1035 38.1324 176.7401 125 V 4.3640 7.7957 110.4664 60.8278 32.8023 175.4395 126 Q 4.1936 7.9587 120.4878 57.2565 28.7715 176.5921 127 G 3.9935 9.0697 111.7729 45.5515 0.0000 174.3702 128 C 4.4354 7.8388 115.5622 56.8294 40.5963 173.6989 129 G 3.8393 8.0944 107.2663 47.0044 0.0000 174.2004 130 V 4.0170 7.8970 117.8124 61.1021 32.1394 175.9362 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 K 8.17 4.17 0.00 1.80 1.63 0.00 1.25 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.14 7.81 2 V 8.15 4.63 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.90 4.33 0.00 2.87 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 4 E 9.14 4.31 0.00 1.95 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 2.32 2.24 0.00 5 R 9.02 3.39 0.00 1.98 1.98 0.00 3.44 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 6 C 8.07 4.36 0.00 3.01 3.12 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 0.00 0.00 0.00 0.00 7 E 8.10 3.89 0.00 2.06 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 0.00 2.58 2.41 0.00 8 L 8.22 3.62 0.00 1.41 1.40 0.03 1.06 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 9 A 7.91 3.95 1.40 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 0.00 0.00 0.00 10 R 8.17 3.92 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.92 3.84 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 1.20 0.00 0.00 12 L 8.14 3.87 0.00 1.73 1.59 0.97 0.30 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 13 K 8.02 3.91 0.00 1.93 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 R 7.91 4.00 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 L 7.48 4.39 0.00 1.51 1.55 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.93 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 17 M 7.69 3.90 0.00 1.27 1.95 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 18 D 8.00 4.66 0.00 2.67 2.67 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 19 G 9.30 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 20 Y 8.24 4.12 0.00 3.38 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 21 R 8.97 3.64 0.00 1.83 1.84 0.00 3.34 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.26 0.00 22 G 8.31 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.58 4.09 1.72 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.91 -0.14 0.00 0.00 24 S 8.36 4.65 0.00 4.13 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 0.00 25 L 8.77 4.25 0.00 2.15 1.83 0.98 1.28 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 26 A 8.22 4.18 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 27 N 8.06 4.51 0.00 2.86 2.77 0.00 0.00 7.03 7.55 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 28 W 8.03 4.36 0.00 3.60 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 29 M 8.63 4.20 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.96 0.00 30 C 8.24 3.26 0.00 2.71 3.25 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 31 L 8.22 4.14 0.00 2.13 2.12 1.15 1.04 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 32 A 8.65 4.29 1.50 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 33 K 8.17 2.94 0.00 1.51 1.30 0.00 1.68 0.00 0.00 1.03 0.00 0.00 2.58 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.35 0.48 7.81 34 W 7.54 4.29 0.00 3.40 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.35 0.00 2.09 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 2.75 2.69 0.00 36 S 8.10 4.51 0.00 4.06 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 37 G 7.96 3.37 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 0.00 38 Y 7.68 3.65 0.00 3.22 3.03 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 39 N 7.60 5.37 0.00 2.87 2.82 0.00 0.00 7.02 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 40 T 8.80 4.03 4.44 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 1.45 0.00 0.00 41 R 8.01 4.35 0.00 1.98 2.04 0.00 3.39 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 42 A 7.59 4.33 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 43 T 8.22 5.48 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 1.28 0.00 0.00 44 N 8.31 4.87 0.00 2.87 2.70 0.00 0.00 6.70 7.56 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 45 Y 8.73 4.67 0.00 3.06 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 46 N 8.57 4.76 0.00 2.67 2.60 0.00 0.00 6.54 7.86 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 47 A 8.28 3.58 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 48 G 8.07 3.72 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 0.00 0.00 0.00 49 D 7.66 4.74 0.00 2.70 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 50 R 8.04 4.02 0.00 2.05 2.17 0.00 3.12 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 51 S 7.78 4.99 0.00 3.92 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 52 T 8.90 5.16 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 0.66 0.00 0.00 53 D 8.93 5.37 0.00 2.69 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 54 Y 9.25 5.05 0.00 2.88 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 55 G 9.08 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.26 3.89 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.86 0.20 0.00 0.00 57 F 7.97 4.93 0.00 3.14 3.04 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 58 Q 8.05 3.53 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 59 I 8.02 4.26 2.06 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 1.04 0.66 1.14 0.00 0.00 60 N 9.27 5.42 0.00 3.15 3.13 0.00 0.00 6.96 7.36 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 61 S 9.10 4.90 0.00 4.05 4.36 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 62 R 8.94 3.77 0.00 1.52 1.24 0.00 2.66 0.00 0.00 2.83 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 63 Y 7.55 4.25 0.00 1.44 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 0.00 0.00 0.00 64 W 8.05 4.93 0.00 3.49 3.25 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 65 C 8.31 5.62 0.00 3.07 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 66 N 8.98 5.18 0.00 2.83 2.70 0.00 0.00 6.98 9.07 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 67 D 8.77 4.79 0.00 2.80 2.64 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 68 G 8.42 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 69 K 8.20 4.50 0.00 1.88 1.88 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 70 T 7.70 4.49 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 1.17 0.00 0.00 71 P 0.00 4.29 0.00 2.01 1.97 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.87 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 73 A 7.35 4.08 1.29 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 0.00 0.00 74 V 8.59 3.83 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 0.69 0.00 0.00 0.89 0.00 0.00 75 N 8.02 4.23 0.00 2.96 2.74 0.00 0.00 7.09 7.95 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 76 A 8.20 4.02 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 77 C 8.64 4.52 0.00 3.28 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 78 H 7.91 4.07 0.00 3.33 3.40 0.00 5.79 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 79 L 8.05 4.85 0.00 1.69 1.49 0.94 0.87 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 80 S 8.35 4.68 0.00 3.83 3.68 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 81 C 8.66 4.02 0.00 2.36 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 82 S 7.67 3.83 0.00 3.78 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 83 A 7.93 4.13 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 84 L 7.84 4.47 0.00 1.87 1.78 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.68 5.44 0.00 1.66 1.70 1.12 1.20 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 86 Q 7.78 4.35 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 87 D 8.51 4.42 0.00 2.63 2.67 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 88 N 8.05 4.61 0.00 2.69 2.74 0.00 0.00 6.94 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 89 I 8.42 4.26 1.76 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 1.53 0.88 0.88 0.00 0.00 90 A 8.41 3.93 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 91 D 8.06 4.29 0.00 2.70 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 92 A 7.94 4.05 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 93 V 8.15 3.35 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 0.71 0.00 0.00 0.89 0.00 0.00 94 A 7.88 3.84 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 95 C 8.28 4.17 0.00 3.03 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 96 A 8.16 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.48 3.72 0.00 1.62 1.44 0.00 1.30 0.00 0.00 0.92 0.00 0.00 2.25 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.86 7.81 98 R 7.52 4.03 0.00 1.87 2.07 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 99 V 7.31 2.37 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 0.50 0.00 0.00 -0.41 0.00 0.00 100 V 7.53 3.76 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 0.79 0.00 0.00 1.33 0.00 0.00 101 R 7.50 4.27 0.00 2.04 2.03 0.00 3.22 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.17 0.00 102 D 7.60 4.74 0.00 3.05 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 0.00 103 P 0.00 4.26 0.00 2.03 2.13 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 104 Q 8.17 3.98 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.77 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 105 G 8.01 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 0.00 106 I 7.57 3.41 0.98 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.58 -0.74 0.00 0.00 107 R 7.06 3.93 0.00 1.83 1.96 0.00 3.36 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 108 A 7.90 4.23 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 0.00 109 A 7.71 4.17 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 0.00 110 V 8.69 3.67 2.13 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 1.13 0.00 0.00 0.98 0.00 0.00 111 A 8.12 4.02 1.50 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 0.00 112 W 8.34 4.00 0.00 3.42 3.37 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 0.00 113 R 8.10 3.70 0.00 2.05 1.97 0.00 3.31 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 114 N 8.18 4.43 0.00 2.55 2.73 0.00 0.00 6.87 7.75 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 0.00 115 R 7.49 4.22 0.00 0.84 1.07 0.00 2.77 0.00 0.00 2.91 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.00 116 C 8.15 4.55 0.00 1.65 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 0.00 117 Q 6.55 3.13 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 118 N 8.71 4.23 0.00 2.79 2.82 0.00 0.00 6.85 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 0.00 119 R 7.24 4.54 0.00 1.72 1.75 0.00 3.13 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 120 D 8.54 4.49 0.00 2.62 2.62 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 0.00 121 V 8.27 4.63 2.49 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 1.11 0.00 0.00 1.09 0.00 0.00 122 R 7.98 4.13 0.00 2.03 2.25 0.00 3.00 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 123 Q 8.07 4.01 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.15 0.00 0.00 0.00 0.00 0.00 2.07 1.51 0.00 124 Y 7.81 4.35 0.00 3.27 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 0.00 125 V 7.80 4.36 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 1.14 0.00 0.00 1.07 0.00 0.00 126 Q 7.96 4.19 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.63 2.31 0.00 127 G 9.07 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 0.00 128 C 7.84 4.44 0.00 3.06 3.15 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 0.00 129 G 8.09 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 0.00 130 V 7.90 4.02 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 0.80 0.00 0.00 0.97 0.00 0.00