NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1976 8.2644 123.5815 51.8207 20.0589 177.2597 2 R 3.7225 7.9966 122.0666 56.1180 30.1768 170.3596 3 V 3.8379 8.3929 126.9030 62.6223 32.7066 175.4232 4 K 4.1775 8.7316 127.6065 59.9909 32.6578 176.4355 5 R 3.6379 7.9487 120.4373 55.7473 26.9888 174.2140 6 G 4.2472 7.1160 108.2753 45.4834 0.0000 172.7422 7 V 3.5912 7.9714 115.2460 63.9991 32.5349 178.6311 8 I 3.8147 7.9176 119.5720 64.9405 36.8838 177.3670 9 A 3.9871 7.9778 121.9333 54.8640 17.7834 179.2081 10 R 3.9849 7.5189 109.3028 56.9310 29.7461 177.4117 11 A 4.4851 8.1751 121.4302 54.5021 19.8426 179.9443 12 R 4.0026 8.1021 113.6369 58.9762 29.5039 178.6496 13 H 4.1096 8.0947 117.3443 58.5452 28.6220 177.2580 14 K 4.0463 7.8165 120.2396 59.4153 32.1915 177.9831 15 K 3.8824 8.0578 119.0265 59.7975 32.1698 178.1346 16 I 3.8700 7.7714 118.7905 64.0479 38.4459 176.8506 17 L 4.5955 8.2630 121.3906 52.9701 38.2198 174.2498 18 K 4.2028 7.2641 130.7602 57.1000 36.3278 176.6073 19 Q 3.9424 7.9349 115.8858 57.9143 28.6110 176.7660 20 A 3.4817 7.5408 119.7834 51.2612 19.2085 176.9271 21 K 3.8895 7.3803 119.1636 59.0119 32.4165 177.9765 22 G 4.0383 8.8837 111.7028 45.3741 0.0000 173.2541 23 Y 4.6769 7.3201 117.0092 57.7241 38.4028 174.6591 24 Y 4.6621 8.5868 122.9567 57.3443 40.8853 176.3256 25 G 3.5995 7.2734 110.6017 45.7246 0.0000 174.7901 26 A 4.1702 8.2738 120.3754 54.8201 18.6814 179.8192 27 R 4.1018 7.2909 113.7848 58.8282 30.2925 177.4709 28 S 4.8397 7.8939 111.3247 58.1817 65.0148 174.5044 29 R 4.5652 8.4595 116.4172 51.7237 28.8696 175.4715 30 V 4.1471 6.7925 122.0811 63.2578 35.3158 169.2334 31 Y 4.6966 7.8616 116.7910 59.9302 40.6391 178.0900 32 R 3.5790 8.2777 116.7259 58.8232 30.5783 177.8059 33 V 4.0789 7.6971 109.3023 62.8941 32.9012 177.9730 34 A 4.6531 7.4339 120.1797 52.4586 17.8988 177.4242 35 F 4.4360 8.9444 120.8202 61.0074 40.9822 177.0809 36 Q 4.2554 8.2840 118.1854 58.1112 28.2505 178.5608 37 A 4.0224 7.9569 122.2019 54.8774 18.8772 179.1501 38 V 3.6055 7.8513 115.8581 66.6162 31.5136 177.6253 39 I 3.4921 7.5200 118.8098 64.7018 36.8690 177.9199 40 K 4.1292 8.0042 119.2680 58.9546 31.9506 178.8950 41 A 4.2212 8.3414 121.0147 55.5770 18.3840 179.9770 42 G 3.5542 8.5972 104.1909 47.8031 0.0000 176.0229 43 Q 4.0623 7.9830 120.2295 59.0202 28.9261 177.9941 44 Y 4.4696 8.8103 118.7272 61.0121 37.7407 178.7251 45 A 4.0043 8.5089 122.0109 55.4990 18.4630 179.0555 46 Y 3.4971 7.8089 116.2315 60.6859 38.0941 178.0316 47 R 4.1226 8.3426 119.6873 58.7069 30.2277 177.4612 48 D 4.5893 8.1429 117.7578 55.6113 41.0126 178.3302 49 R 3.8871 8.6030 119.5342 58.2999 30.0583 176.8376 50 R 4.3904 7.6355 114.9310 56.7900 32.0250 177.0440 51 Q 4.1118 7.2341 113.8566 57.8122 28.5948 178.1383 52 R 3.9080 8.1451 118.6344 58.9101 30.1199 177.9636 53 K 4.0281 7.8502 114.7369 57.6035 32.8335 177.8354 54 R 4.2769 8.1928 118.2411 58.1466 31.1066 178.2933 55 Q 3.8747 7.7239 116.7435 58.2050 27.7199 178.8307 56 F 4.2015 6.8964 119.0419 59.5376 39.5265 177.5765 57 R 3.6707 7.1653 117.5274 59.7075 29.6942 177.9604 58 Q 3.9219 7.8700 117.3742 58.9680 28.5422 178.9771 59 L 3.8963 6.9117 119.2956 58.4665 42.4621 178.4655 60 W 4.5542 9.3807 118.6531 60.0235 28.9596 178.2977 61 I 3.7301 8.8806 119.2321 64.7226 36.8331 177.9758 62 A 3.9562 8.1744 121.4820 55.3504 17.6302 179.9741 63 R 3.8253 8.4960 116.6042 59.5203 30.2037 178.9602 64 I 4.0858 8.0329 119.1240 64.9615 37.1006 177.6731 65 N 4.4935 8.8634 117.6672 56.6706 38.6998 176.8513 66 A 3.9788 7.9526 121.6615 54.9340 18.6194 179.5176 67 A 3.7439 9.2419 119.5598 55.2737 18.0036 179.6669 68 A 3.8910 8.8410 120.0198 55.3819 18.2205 179.7765 69 R 3.9703 8.1016 116.5115 59.5023 30.1706 178.0490 70 Q 4.1273 7.9961 118.7917 57.3788 29.3589 178.0759 71 N 4.8857 8.3187 116.2262 53.4049 38.1122 176.6015 72 G 4.1660 8.8454 112.6861 46.3446 0.0000 171.9028 73 I 4.6742 7.4118 118.2985 58.2081 41.4078 175.2353 74 S 4.7978 8.2507 118.8693 57.1432 65.9801 174.3546 75 Y 4.2131 8.4167 123.1604 61.3816 38.2654 178.7039 76 S 4.2322 8.4721 115.3357 61.6150 62.8339 176.4196 77 K 4.1845 7.7048 118.7056 58.1628 32.5416 178.7266 78 F 4.2644 8.8996 122.0404 61.2956 37.7890 176.4456 79 I 3.2949 7.7226 116.5579 61.8550 37.8131 176.0855 80 N 4.6033 7.2323 116.3431 54.9935 39.1019 176.7734 81 G 3.5510 7.9435 107.6442 47.7323 0.0000 175.8674 82 L 3.5041 7.3009 120.4380 57.6489 41.5384 178.9976 83 K 4.0857 7.1453 118.5443 58.4979 32.1696 178.3112 84 K 4.1263 8.1488 119.6640 58.7590 33.2540 177.7679 85 A 3.8665 8.8373 125.3155 53.8596 16.1993 177.1263 86 S 3.3465 8.6890 107.2917 60.2832 59.1766 172.7252 87 V 2.8748 8.1839 125.8038 59.0280 32.3619 170.2696 88 E 3.5050 7.9841 129.2644 56.2634 29.1906 173.7910 89 I 3.6383 7.9226 128.6875 59.4678 36.9033 176.2602 90 D 4.4280 8.8412 120.6250 54.4925 40.0781 176.0949 91 R 3.3811 7.2183 117.0025 57.5190 29.8771 176.6181 92 K 4.5814 8.1626 116.9537 57.0289 34.4796 177.2743 93 I 2.1996 7.0208 118.8867 62.8876 38.2027 177.6932 94 L 3.6247 7.4686 119.2660 57.4239 41.5862 179.0800 95 A 4.5052 7.1125 118.4693 52.7954 17.5339 177.6930 96 D 4.5187 8.5101 119.0272 55.1918 39.9830 178.0237 97 I 4.0483 7.9856 110.9905 61.8601 37.2495 176.0520 98 A 4.0839 7.4864 122.6539 52.4169 19.2689 177.7211 99 V 3.7835 8.0176 115.1924 63.7511 32.3799 175.7292 100 F 4.9700 7.2249 117.5047 56.4524 41.8669 174.5429 101 D 4.2884 8.7511 119.1139 55.2016 39.1552 175.3816 102 K 3.9595 8.1105 119.7901 59.2008 32.6754 177.5854 103 V 3.6307 8.0058 118.3749 65.6860 31.5911 175.9168 104 A 4.3236 7.8046 121.1988 52.4910 19.4148 176.3286 105 F 4.2283 9.0438 123.0636 60.1979 39.5404 177.4197 106 T 3.9003 7.4881 116.2657 66.4792 67.9024 176.5189 107 A 3.9846 7.9041 122.2865 54.9570 18.5004 179.3551 108 L 4.0839 7.7054 117.0414 58.0750 41.7175 179.4454 109 V 3.2508 7.7929 118.1785 65.9950 31.3581 177.4033 110 E 3.8453 8.6555 118.9577 59.3246 29.3980 178.7657 111 K 3.8518 9.0377 120.3474 59.4485 32.1164 178.6327 112 A 3.9258 8.4412 121.2707 55.1365 18.4010 179.3909 113 K 3.7646 8.6429 117.2549 59.7922 31.9337 179.0929 114 A 3.9194 7.9003 118.9954 55.3143 18.4601 178.9268 115 A 4.0574 7.5023 117.4798 55.5075 18.3796 179.7339 116 L 4.0341 7.8662 116.1411 57.8307 41.9326 177.7217 117 A 4.2907 8.3550 123.8839 52.6399 18.4951 176.9696 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 A 8.26 4.20 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 2 R 8.00 3.72 0.00 1.86 1.87 0.00 3.23 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 3 V 8.39 3.84 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 0.90 0.00 0.00 0.92 0.00 0.00 4 K 8.73 4.18 0.00 1.89 1.92 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.48 7.81 5 R 7.95 3.64 0.00 1.96 1.92 0.00 3.23 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 6 G 7.12 4.25 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 0.00 7 V 7.97 3.59 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 0.72 0.00 0.00 0.92 0.00 0.00 8 I 7.92 3.81 1.85 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 1.56 0.76 0.90 0.00 0.00 9 A 7.98 3.99 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 10 R 7.52 3.98 0.00 1.94 1.98 0.00 3.00 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 11 A 8.18 4.49 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 12 R 8.10 4.00 0.00 2.12 2.22 0.00 2.77 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 13 H 8.09 4.11 0.00 3.10 3.21 0.00 5.64 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 14 K 7.82 4.05 0.00 1.99 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 15 K 8.06 3.88 0.00 1.81 2.02 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 16 I 7.77 3.87 2.24 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 1.60 0.21 1.14 0.00 0.00 17 L 8.26 4.60 0.00 1.75 1.76 1.16 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.26 4.20 0.00 1.87 1.93 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.26 7.81 19 Q 7.93 3.94 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 20 A 7.54 3.48 1.24 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 21 K 7.38 3.89 0.00 1.68 1.67 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.47 7.81 22 G 8.88 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 0.00 0.00 0.00 23 Y 7.32 4.68 0.00 2.97 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 24 Y 8.59 4.66 0.00 3.01 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 25 G 7.27 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 26 A 8.27 4.17 1.28 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 0.00 0.00 27 R 7.29 4.10 0.00 2.17 2.30 0.00 3.08 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 28 S 7.89 4.84 0.00 3.87 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 29 R 8.46 4.57 0.00 1.88 1.90 0.00 3.19 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 30 V 6.79 4.15 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 0.73 0.00 0.00 0.97 0.00 0.00 31 Y 7.86 4.70 0.00 2.85 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 32 R 8.28 3.58 0.00 1.82 1.95 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 33 V 7.70 4.08 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 0.79 0.00 0.00 0.93 0.00 0.00 34 A 7.43 4.65 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 35 F 8.94 4.44 0.00 2.52 2.58 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 36 Q 8.28 4.26 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 37 A 7.96 4.02 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 38 V 7.85 3.61 1.92 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 0.84 0.00 0.00 0.95 0.00 0.00 39 I 7.52 3.49 1.85 0.00 0.00 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 1.40 1.03 0.88 0.00 0.00 40 K 8.00 4.13 0.00 1.95 1.73 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.53 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.34 7.81 41 A 8.34 4.22 1.48 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 0.00 0.00 42 G 8.60 3.55 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 43 Q 7.98 4.06 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 44 Y 8.81 4.47 0.00 3.14 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 45 A 8.51 4.00 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 46 Y 7.81 3.50 0.00 3.07 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 47 R 8.34 4.12 0.00 2.20 2.21 0.00 3.21 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 48 D 8.14 4.59 0.00 2.81 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 49 R 8.60 3.89 0.00 1.83 1.80 0.00 3.30 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 50 R 7.64 4.39 0.00 1.67 1.85 0.00 2.98 0.00 0.00 2.84 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 51 Q 7.23 4.11 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 52 R 8.15 3.91 0.00 1.78 1.84 0.00 3.15 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 53 K 7.85 4.03 0.00 1.87 1.85 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.56 7.81 54 R 8.19 4.28 0.00 1.78 1.83 0.00 3.06 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 55 Q 7.72 3.87 0.00 1.53 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 56 F 6.90 4.20 0.00 2.59 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 57 R 7.17 3.67 0.00 1.73 1.93 0.00 3.26 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 58 Q 7.87 3.92 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 59 L 6.91 3.90 0.00 1.87 1.71 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 W 9.38 4.55 0.00 3.71 3.22 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 61 I 8.88 3.73 1.91 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 1.51 0.93 0.08 0.00 0.00 62 A 8.17 3.96 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 63 R 8.50 3.83 0.00 1.88 1.93 0.00 3.16 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.05 0.00 64 I 8.03 4.09 2.43 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.50 1.59 0.00 0.00 65 N 8.86 4.49 0.00 2.87 3.05 0.00 0.00 7.15 7.99 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 66 A 7.95 3.98 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 67 A 9.24 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.84 3.89 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 69 R 8.10 3.97 0.00 2.07 2.17 0.00 3.35 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 70 Q 8.00 4.13 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 71 N 8.32 4.89 0.00 2.89 2.19 0.00 0.00 6.80 6.97 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 72 G 8.85 4.17 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 0.00 0.00 0.00 73 I 7.41 4.67 1.87 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 1.42 0.94 0.88 0.00 0.00 74 S 8.25 4.80 0.00 4.18 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 75 Y 8.42 4.21 0.00 3.37 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 76 S 8.47 4.23 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.18 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 78 F 8.90 4.26 0.00 2.90 3.11 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 79 I 7.72 3.29 0.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.87 0.57 0.00 0.00 80 N 7.23 4.60 0.00 2.92 2.81 0.00 0.00 6.97 7.78 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 81 G 7.94 3.55 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 82 L 7.30 3.50 0.00 1.34 1.55 -0.02 0.84 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 83 K 7.15 4.09 0.00 1.76 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 84 K 8.15 4.13 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.71 7.81 85 A 8.84 3.87 1.24 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 86 S 8.69 3.35 0.00 3.90 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 87 V 8.18 2.87 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 0.76 0.00 0.00 0.91 0.00 0.00 88 E 7.98 3.50 0.00 2.27 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 2.16 2.19 0.00 89 I 7.92 3.64 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.91 0.00 0.00 90 D 8.84 4.43 0.00 2.93 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 91 R 7.22 3.38 0.00 1.70 1.69 0.00 3.08 0.00 0.00 3.18 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 92 K 8.16 4.58 0.00 1.89 2.03 0.00 1.97 0.00 0.00 1.91 0.00 0.00 3.18 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.47 7.81 93 I 7.02 2.20 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.56 0.45 0.00 0.00 94 L 7.47 3.62 0.00 1.89 1.66 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.11 4.51 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 96 D 8.51 4.52 0.00 2.75 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 0.00 97 I 7.99 4.05 1.96 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 1.60 1.49 1.03 0.00 0.00 98 A 7.49 4.08 0.39 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 99 V 8.02 3.78 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 -0.25 0.00 0.00 0.67 0.00 0.00 100 F 7.22 4.97 0.00 3.15 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 0.00 101 D 8.75 4.29 0.00 2.93 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 0.00 102 K 8.11 3.96 0.00 1.75 1.83 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.48 7.81 103 V 8.01 3.63 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 0.94 0.00 0.00 0.95 0.00 0.00 104 A 7.80 4.32 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 4.23 0.00 3.25 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 0.00 106 T 7.49 3.90 4.39 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 1.21 0.00 0.00 107 A 7.90 3.98 1.31 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 0.00 0.00 108 L 7.71 4.08 0.00 1.62 1.78 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.79 3.25 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 0.78 0.00 0.00 0.20 0.00 0.00 110 E 8.66 3.85 0.00 2.20 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 0.00 2.29 2.36 0.00 111 K 9.04 3.85 0.00 1.83 2.02 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 112 A 8.44 3.93 1.48 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 0.00 0.00 113 K 8.64 3.76 0.00 1.93 1.90 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.65 7.81 114 A 7.90 3.92 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 0.00 115 A 7.50 4.06 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 0.00 116 L 7.87 4.03 0.00 1.79 1.74 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.36 4.29 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