NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4373 8.1927 115.3001 58.2218 64.7222 175.6455 4 F 4.1604 8.2734 122.2300 60.8547 39.2354 173.7330 5 E 3.6979 8.3569 118.0339 59.2788 29.5420 178.4201 6 Q 4.2138 7.9728 117.6856 58.2070 29.3590 177.2816 7 A 4.3327 7.2767 120.9073 54.5511 19.6004 179.3847 8 I 3.5346 7.5651 118.6724 64.3623 37.0070 178.8602 9 T 3.7174 8.1722 117.0900 66.5324 68.2264 176.2696 10 Q 4.1769 7.9086 122.1155 58.5674 29.1480 177.7494 11 L 4.0185 7.8539 121.1568 58.5582 42.1627 179.0459 12 F 4.0593 8.5557 117.3756 60.4296 38.1890 177.8994 13 Q 3.9809 7.9968 117.3872 59.1803 28.4957 178.4910 14 Q 4.1021 8.2233 117.4726 58.1117 28.7946 177.9907 15 L 4.4588 7.4175 117.1286 53.3043 43.7105 175.4930 16 S 3.7328 8.3574 114.0715 59.0277 59.5995 170.7829 17 L 4.7030 8.6743 118.6882 52.5249 45.2160 177.6913 18 S 4.1477 8.8321 119.8715 58.9207 63.2699 174.2052 19 I 4.0150 8.2704 125.7803 59.8116 36.7765 174.2138 20 P 4.2989 0.0000 0.0000 62.8384 31.6190 177.1345 21 D 4.3166 8.6148 120.8269 56.1809 41.4633 176.4559 22 T 4.3886 7.0458 114.4918 61.8852 69.0871 171.8464 23 I 3.8998 7.9173 124.7837 60.0999 36.9894 176.1648 24 E 4.2724 8.5282 125.4006 55.2659 30.1187 175.7762 25 P 4.2993 0.0000 0.0000 65.1129 31.4749 176.7834 26 V 4.5443 7.6759 118.2544 60.8543 33.1617 174.9439 27 I 4.5951 9.4611 129.6064 59.5470 39.8994 174.7155 28 G 4.3635 8.6780 112.5853 44.6362 0.0000 173.3968 29 V 4.4024 8.7128 124.1227 61.1118 34.6758 173.8787 30 K 4.6310 8.6528 128.8835 56.0401 33.6768 176.6917 31 V 4.2093 8.7625 126.4736 61.6426 33.7197 176.4228 32 G 3.9480 8.6013 120.4474 46.9273 0.0000 173.2021 33 E 4.3931 9.2723 120.8491 55.3422 30.1136 175.0280 34 F 4.5583 8.2186 119.7521 55.8614 40.3069 174.3660 35 A 4.6308 8.6423 128.4888 51.3526 19.2117 175.9725 36 C 4.8177 9.0099 121.0712 59.1421 30.8055 172.7697 37 H 5.1270 8.8209 120.2760 54.0005 30.9697 173.1385 38 I 5.0292 8.7017 124.8083 60.0565 40.0165 174.6281 39 T 4.3420 8.6627 118.6137 61.5035 71.6728 171.2077 40 E 4.7389 7.5463 126.1215 55.5059 30.5995 174.7157 41 H 4.4469 8.5832 122.5255 55.0742 34.0424 172.3438 42 P 4.4230 0.0000 0.0000 61.4708 32.5761 175.2397 43 V 3.6124 8.1174 117.4962 65.1679 31.4292 176.0474 44 G 4.0223 10.0431 114.7185 45.2839 0.0000 172.2945 45 Q 4.7821 8.0428 117.8108 53.8840 33.5288 173.9070 46 I 4.7208 8.8689 124.1926 59.5737 39.8920 173.7510 47 L 5.3718 9.4315 132.5300 53.6672 44.5887 174.8500 48 M 5.5316 9.0841 125.3045 53.6473 35.7914 174.5265 49 F 5.6516 8.5296 116.7677 56.3625 42.1832 172.8412 50 T 5.1978 9.3454 113.2582 61.1565 71.5012 172.6397 51 L 5.3714 8.9328 125.6198 51.6859 42.0614 174.6125 52 P 4.7704 0.0000 0.0000 62.4626 33.2458 176.0403 53 S 4.7125 8.5167 116.5412 57.0112 64.8102 174.3184 54 L 4.8364 8.5592 125.8717 53.3512 43.5697 176.6017 55 D 4.8104 8.2432 116.7508 55.1217 38.7288 179.3953 56 N 3.7855 7.7697 114.3903 56.1236 41.1504 172.8076 57 N 4.5200 8.2625 126.1166 53.9888 37.8653 173.4176 58 N 4.9791 7.9229 118.8123 51.2672 43.3115 174.6612 59 E 4.1984 8.7062 122.6755 55.6783 30.5892 177.9062 60 K 3.8988 8.7805 122.3996 60.5610 32.3962 179.2326 61 E 3.9323 8.1209 119.0189 59.3561 29.1560 179.3428 62 T 3.9158 7.5730 114.7130 66.4856 68.7427 176.5837 63 L 4.2512 7.8200 120.5022 57.8623 41.7651 179.3867 64 L 4.1069 8.2991 119.0012 57.5761 40.9697 179.5945 65 S 4.0619 8.1782 115.3126 61.6971 62.4484 176.1508 66 H 4.2505 7.9158 117.4714 57.7520 28.4598 176.2971 67 N 4.6623 7.7686 116.6375 51.9468 39.1896 175.0764 68 I 3.6270 6.6792 120.6945 60.3441 38.6547 175.6882 69 F 4.4547 7.8118 121.2771 57.1497 38.3873 174.4057 70 S 4.6958 8.1472 115.2104 57.4413 65.5249 173.3849 71 Q 4.0913 8.6707 116.5708 57.3424 29.1594 174.9739 72 D 4.7147 7.8964 120.1678 52.4087 41.1983 176.7158 73 I 3.9125 8.3409 120.8748 62.8132 37.7356 176.5736 74 L 4.3687 7.8769 120.1319 54.3220 41.9683 176.6074 75 K 3.9152 7.6924 121.7210 55.6958 32.3895 174.6894 76 P 4.4572 0.0000 0.0000 62.9321 32.4788 175.4582 77 I 4.2584 8.0059 122.7199 59.7784 38.9621 174.4228 78 L 4.9277 9.1972 129.9805 54.3053 43.2435 175.7150 79 S 4.8333 9.2352 119.9555 57.2713 67.0073 171.8131 80 W 5.1016 8.6759 128.6037 55.9883 33.3475 175.4463 81 D 4.3731 8.5624 127.7270 52.7396 39.1402 176.0962 82 E 4.3505 8.6022 125.8370 57.8574 29.7315 177.1505 83 V 4.1888 7.6077 116.0658 65.4348 32.7938 177.4213 84 G 3.6883 8.5211 103.5789 45.0123 0.0000 172.7589 85 G 3.6169 8.4089 108.3610 44.9855 0.0000 172.2025 86 H 3.7172 5.4423 111.7929 53.5877 31.9780 173.5152 87 P 4.9093 0.0000 0.0000 62.8813 33.0840 175.1061 88 V 4.5411 9.1610 120.9529 61.1533 34.9158 173.6734 89 L 5.4121 9.0627 130.2168 53.1301 44.2426 175.0193 90 W 6.0550 8.8231 122.4488 55.3892 32.2039 173.1669 91 N 5.2758 9.3712 117.6008 51.8639 40.8527 172.8785 92 R 5.6434 8.7446 117.7704 56.2820 33.2231 173.6595 93 Q 4.8698 8.4926 121.1231 54.2268 31.8142 171.9108 94 P 4.8803 0.0000 0.0000 62.5403 32.6134 177.5355 95 L 4.0598 8.4585 121.9322 58.0135 41.6886 178.8776 96 N 4.5580 8.1376 111.5352 53.8642 36.9121 174.5091 97 N 4.9583 7.8031 114.1112 53.4950 40.2235 174.0237 98 L 4.3455 7.7528 116.9174 54.5955 42.5805 175.4204 99 D 4.7663 8.5673 118.0323 52.6257 44.2270 175.6507 100 N 4.4479 8.8238 120.5121 55.0634 37.2590 175.2335 101 N 4.8158 8.4439 115.7564 54.3190 40.5988 176.7987 102 S 4.5362 8.0287 114.8843 61.9805 62.8990 176.7446 103 L 4.0230 7.9206 120.3943 58.2078 41.4453 179.0128 104 Y 4.0663 8.0480 118.8534 60.9167 38.7902 177.8370 105 T 3.8567 9.1658 117.9958 66.5679 68.5584 176.4172 106 Q 3.9421 8.7114 121.9575 59.1765 29.1021 178.1503 107 L 3.9192 7.9037 121.3862 57.8461 42.0254 178.5456 108 E 3.6412 8.1265 119.5661 59.5858 29.6041 178.7193 109 M 4.0238 8.3050 119.1014 58.1399 31.9224 178.6388 110 L 3.8394 7.8469 120.5398 58.1307 42.3284 179.2493 111 V 3.2435 7.5706 118.1882 66.0406 31.2388 178.0525 112 Q 4.0129 8.1976 117.2197 58.6674 28.6031 178.7406 113 G 3.6137 7.8994 106.8823 47.6248 0.0000 175.7413 114 A 3.9759 7.8021 122.8687 54.4028 18.0181 179.2814 115 E 4.0551 7.7057 116.1684 58.5399 29.6884 178.4205 116 R 4.3437 7.5020 116.0800 56.4072 30.5080 176.4034 117 L 4.4973 7.4450 117.1801 56.0540 43.8060 176.5655 118 Q 4.8581 8.5607 119.7372 55.3402 29.6142 175.0472 119 T 4.7182 8.6284 117.3268 60.1192 70.2920 173.9244 120 S 4.9944 8.5598 121.0486 55.9182 65.6975 174.1994 121 S 4.3327 8.4643 116.2357 57.9201 63.5280 175.3978 122 L 4.0540 8.5022 122.9916 57.8372 40.5351 177.1766 123 I 4.5920 7.1929 119.8572 59.5405 40.1207 175.5664 124 S 4.5037 8.3134 119.0223 55.5653 62.1173 171.2502 125 P 4.6017 0.0000 0.0000 60.2884 32.4787 174.3698 126 P 4.4060 0.0000 0.0000 63.1236 31.6136 176.4792 127 R 4.7302 8.3725 120.4744 54.3572 33.5192 175.2236 128 S 4.7426 8.4069 115.4289 57.2639 64.9729 172.7392 129 F 4.8820 7.6731 114.8898 56.3578 40.4465 174.4265 130 S 4.3410 8.7677 115.8882 58.7288 62.8886 174.4882 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 3 S 8.19 4.44 0.00 3.91 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 4 F 8.27 4.16 0.00 3.40 3.07 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 5 E 8.36 3.70 0.00 2.07 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 2.35 2.35 0.00 6 Q 7.97 4.21 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 7 A 7.28 4.33 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 8 I 7.57 3.53 1.26 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.07 0.22 0.00 0.00 9 T 8.17 3.72 4.21 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 1.18 0.00 0.00 10 Q 7.91 4.18 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 11 L 7.85 4.02 0.00 1.90 1.80 1.02 1.18 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 12 F 8.56 4.06 0.00 3.33 3.33 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 13 Q 8.00 3.98 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.77 0.00 14 Q 8.22 4.10 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 15 L 7.42 4.46 0.00 1.46 1.61 0.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.36 3.73 0.00 3.96 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 17 L 8.67 4.70 0.00 1.45 1.40 0.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.83 4.15 0.00 3.91 3.85 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 19 I 8.27 4.02 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.37 0.81 0.00 0.00 20 P 0.00 4.30 0.00 2.09 1.97 0.00 3.35 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 21 D 8.61 4.32 0.00 2.63 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 22 T 7.05 4.39 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 1.26 0.00 0.00 23 I 7.92 3.90 1.83 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 1.21 0.49 0.80 0.00 0.00 24 E 8.53 4.27 0.00 2.08 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 2.33 2.38 0.00 25 P 0.00 4.30 0.00 2.11 2.15 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 26 V 7.68 4.54 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 0.89 0.00 0.00 0.94 0.00 0.00 27 I 9.46 4.60 1.98 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.09 0.98 0.00 0.00 28 G 8.68 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 0.00 0.00 0.00 29 V 8.71 4.40 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 0.89 0.00 0.00 0.94 0.00 0.00 30 K 8.65 4.63 0.00 1.78 1.80 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.64 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 31 V 8.76 4.21 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 0.95 0.00 0.00 0.88 0.00 0.00 32 G 8.60 3.95 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 0.00 0.00 0.00 33 E 9.27 4.39 0.00 1.79 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 1.92 1.47 0.00 34 F 8.22 4.56 0.00 3.15 3.02 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 35 A 8.64 4.63 1.22 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 0.00 0.00 36 C 9.01 4.82 0.00 2.93 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 37 H 8.82 5.13 0.00 1.40 2.78 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.70 5.03 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.06 1.09 0.00 0.00 39 T 8.66 4.34 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 1.28 0.00 0.00 40 E 7.55 4.74 0.00 1.43 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 2.16 2.39 0.00 41 H 8.58 4.45 0.00 3.06 3.10 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.42 0.00 2.20 2.06 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 43 V 8.12 3.61 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 0.91 0.00 0.00 44 G 10.04 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 45 Q 8.04 4.78 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 46 I 8.87 4.72 2.02 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.43 1.09 0.00 0.00 47 L 9.43 5.37 0.00 1.97 1.73 1.10 1.04 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 48 M 9.08 5.53 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 49 F 8.53 5.65 0.00 3.33 3.32 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 50 T 9.35 5.20 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 1.33 0.00 0.00 51 L 8.93 5.37 0.00 1.62 1.71 1.04 1.34 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 52 P 0.00 4.77 0.00 2.24 2.28 0.00 4.02 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 2.09 2.09 0.00 53 S 8.52 4.71 0.00 3.77 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 54 L 8.56 4.84 0.00 1.63 1.70 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.24 4.81 0.00 2.81 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 56 N 7.77 3.79 0.00 2.81 2.75 0.00 0.00 7.19 7.79 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 57 N 8.26 4.52 0.00 2.69 2.78 0.00 0.00 7.17 7.79 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 58 N 7.92 4.98 0.00 2.81 2.67 0.00 0.00 7.23 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 59 E 8.71 4.20 0.00 2.02 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 2.39 2.29 0.00 60 K 8.78 3.90 0.00 1.95 2.04 0.00 1.48 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.53 7.81 61 E 8.12 3.93 0.00 2.06 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 2.38 2.45 0.00 62 T 7.57 3.92 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 1.22 0.00 0.00 63 L 7.82 4.25 0.00 1.85 1.75 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.30 4.11 0.00 1.72 1.71 0.91 1.20 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 65 S 8.18 4.06 0.00 3.98 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 66 H 7.92 4.25 0.00 3.26 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.77 4.66 0.00 2.79 2.81 0.00 0.00 6.91 7.33 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 68 I 6.68 3.63 1.67 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.22 0.73 0.00 0.00 69 F 7.81 4.45 0.00 3.11 3.07 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 70 S 8.15 4.70 0.00 3.95 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 71 Q 8.67 4.09 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 72 D 7.90 4.71 0.00 2.73 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 73 I 8.34 3.91 1.89 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 1.43 0.72 0.92 0.00 0.00 74 L 7.88 4.37 0.00 1.81 1.73 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.69 3.92 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.34 7.81 76 P 0.00 4.46 0.00 2.00 1.95 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 77 I 8.01 4.26 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.04 0.87 0.00 0.00 78 L 9.20 4.93 0.00 1.57 1.57 0.99 0.91 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 79 S 9.24 4.83 0.00 4.05 4.22 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 80 W 8.68 5.10 0.00 3.39 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 81 D 8.56 4.37 0.00 2.23 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 0.00 0.00 0.00 82 E 8.60 4.35 0.00 2.16 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 2.39 2.57 0.00 83 V 7.61 4.19 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 0.91 0.00 0.00 0.91 0.00 0.00 84 G 8.52 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.41 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 86 H 5.44 3.72 0.00 2.92 3.07 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.91 0.00 2.26 2.51 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 88 V 9.16 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 0.98 0.00 0.00 0.69 0.00 0.00 89 L 9.06 5.41 0.00 1.86 1.59 0.89 0.57 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 90 W 8.82 6.06 0.00 3.71 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 91 N 9.37 5.28 0.00 2.76 2.82 0.00 0.00 6.67 7.12 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 92 R 8.74 5.64 0.00 2.23 2.12 0.00 3.12 0.00 0.00 4.01 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 93 Q 8.49 4.87 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 94 P 0.00 4.88 0.00 2.27 2.24 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 95 L 8.46 4.06 0.00 1.73 1.81 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.14 4.56 0.00 2.82 2.94 0.00 0.00 5.69 8.04 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 97 N 7.80 4.96 0.00 2.68 2.77 0.00 0.00 7.12 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 98 L 7.75 4.35 0.00 1.73 1.64 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.57 4.77 0.00 2.66 2.46 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 0.00 100 N 8.82 4.45 0.00 2.83 2.95 0.00 0.00 5.95 8.04 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 0.00 101 N 8.44 4.82 0.00 2.81 2.93 0.00 0.00 6.80 6.86 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 0.00 102 S 8.03 4.54 0.00 4.07 4.16 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 0.00 103 L 7.92 4.02 0.00 1.76 1.78 0.95 0.79 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 0.00 104 Y 8.05 4.07 0.00 3.01 2.92 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 0.00 105 T 9.17 3.86 4.46 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 1.24 0.00 0.00 106 Q 8.71 3.94 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 107 L 7.90 3.92 0.00 1.77 1.66 0.87 0.80 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 0.00 108 E 8.13 3.64 0.00 1.56 1.86 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 0.00 2.19 2.17 0.00 109 M 8.30 4.02 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 110 L 7.85 3.84 0.00 1.85 1.78 1.03 0.91 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 0.00 111 V 7.57 3.24 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 0.86 0.00 0.00 0.93 0.00 0.00 112 Q 8.20 4.01 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 113 G 7.90 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 0.00 114 A 7.80 3.98 0.64 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 0.00 115 E 7.71 4.06 0.00 2.04 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 2.36 2.24 0.00 116 R 7.50 4.34 0.00 1.73 1.99 0.00 3.12 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 117 L 7.45 4.50 0.00 1.63 1.70 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.56 4.86 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 119 T 8.63 4.72 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 120 S 8.56 4.99 0.00 3.84 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 0.00 121 S 8.46 4.33 0.00 4.02 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 0.00 122 L 8.50 4.05 0.00 1.78 1.86 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.19 4.59 1.87 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 1.18 0.95 0.91 0.00 0.00 124 S 8.31 4.50 0.00 3.76 3.71 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 0.00 0.00 0.00 0.00 125 P 0.00 4.60 0.00 2.09 2.00 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 126 P 0.00 4.41 0.00 2.05 2.01 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 127 R 8.37 4.73 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 128 S 8.41 4.74 0.00 3.90 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 0.00 129 F 7.67 4.88 0.00 3.08 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 0.00 130 S 8.77 4.34 0.00 3.95 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