NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2656 8.3149 120.1312 56.3281 34.1720 176.1348 4 I 3.8855 7.5530 119.0166 60.7192 37.7310 174.1640 5 I 4.0639 9.3215 129.9498 60.9336 38.9696 174.4096 6 H 4.8968 8.7820 124.7876 54.6719 29.1260 174.9831 7 L 4.7065 8.6036 124.2491 53.8930 42.8601 176.2119 8 T 4.9518 8.6664 110.0001 59.1038 71.8458 174.7666 9 D 4.5056 9.2522 122.1784 57.0283 40.6532 178.2336 10 D 4.6862 8.0157 118.2478 55.9245 41.9779 177.7938 11 S 4.5030 8.2544 112.8619 58.6947 63.5343 175.7798 12 F 3.8869 7.8427 124.7427 61.6929 39.2313 176.1350 13 D 4.3984 8.3243 116.9528 57.9056 40.7589 178.3477 14 T 3.9302 7.6846 114.3592 66.5997 68.7404 176.2013 15 D 4.4232 7.9971 119.6111 55.9683 41.0727 177.1008 16 V 3.8112 7.3122 115.8669 64.3824 32.9130 177.6526 17 L 4.0299 7.4821 117.3354 56.6586 41.7991 177.9942 18 K 4.3869 7.5556 115.1277 55.7871 32.8758 176.2647 19 A 4.1993 7.6098 123.8948 51.5843 19.0803 177.1872 20 D 4.9059 8.4255 121.1044 52.7124 41.3964 176.9682 21 G 4.0417 8.5362 102.9315 45.4774 0.0000 172.1709 22 A 4.7821 8.1318 120.9255 51.1981 20.5827 176.6210 23 I 4.9130 9.1146 122.2122 59.5061 41.3867 174.2315 24 L 4.7896 8.7392 130.3327 53.9821 43.4075 175.2156 25 V 4.6420 9.1982 127.9909 61.5006 33.4650 173.8477 26 D 5.1323 9.2323 128.8607 52.9262 42.7542 174.9767 27 F 5.2735 9.3401 126.4292 56.2691 40.5222 175.2185 28 W 5.2947 9.2533 120.1928 55.1068 32.0714 173.3405 29 A 3.7287 7.7656 119.7844 50.0555 21.6937 176.9985 30 E 3.9927 8.0743 119.7188 58.4536 29.8497 177.5816 31 W 4.5007 7.1656 113.3055 56.9387 29.1367 177.0300 32 C 4.7153 7.3359 120.5050 55.5368 43.4485 173.4484 33 G 3.7502 8.8636 115.5037 47.9177 0.0000 172.3873 34 P 4.3109 0.0000 0.0000 64.9641 31.4365 179.3126 35 C 4.2275 8.2188 114.8556 60.2937 40.0035 176.3327 36 K 3.8492 7.9305 118.1739 59.2052 31.6658 178.9046 37 M 4.1816 7.8759 118.5417 58.0686 32.5584 177.4191 38 I 4.0976 7.6953 110.8992 61.0721 38.3452 177.2604 39 A 3.8011 7.3435 123.3322 55.2531 18.1663 178.0149 40 P 4.3919 0.0000 0.0000 65.3450 31.2982 178.9593 41 I 3.6794 7.4259 118.6686 64.4601 37.0696 178.3961 42 L 4.0007 7.7153 119.1762 57.6203 41.0499 179.1705 43 D 4.3140 7.9081 118.5480 57.4304 40.7274 178.5807 44 E 4.0010 7.9544 118.6557 59.5741 29.3726 179.5818 45 I 3.8500 7.8601 119.5977 64.2981 36.9185 178.1293 46 A 3.9658 7.8674 120.7862 55.1872 18.1606 178.6953 47 D 4.4714 7.5266 114.8929 57.1263 41.6221 178.1525 48 E 4.1615 8.4184 118.2934 58.5792 29.6954 177.8328 49 Y 4.5450 8.1921 115.6010 56.4777 38.5481 175.3065 50 Q 4.1135 7.7076 118.6095 57.8571 28.9124 176.6393 51 G 3.9763 9.6107 108.8481 45.8993 0.0000 173.9796 52 K 4.6450 7.8478 115.9354 55.9009 36.1610 176.2800 53 L 4.5939 7.6496 117.6659 54.3770 45.1838 173.7884 54 T 4.6041 8.6825 123.1565 61.7427 71.1436 173.6204 55 V 4.4703 8.3292 126.3017 62.3247 33.2006 174.4828 56 A 5.1516 9.2771 128.6565 50.0842 23.0526 174.7571 57 K 4.9345 8.9643 119.2181 54.4165 36.2522 175.1653 58 L 4.9513 9.0201 126.5833 53.1254 45.0878 174.6423 59 N 4.5607 8.8169 126.1298 53.0873 39.8673 175.1996 60 I 4.2999 8.1933 119.5110 61.8388 38.6865 178.1288 61 D 4.4522 8.3816 123.3568 57.7199 40.8164 177.9243 62 Q 4.1889 8.1256 115.7796 57.9245 28.9191 176.1196 63 N 5.0628 8.2341 115.6726 50.5201 38.9462 172.9286 64 P 4.6325 0.0000 0.0000 64.3328 32.3725 179.7543 65 G 3.7076 8.8805 106.3341 47.8223 0.0000 175.7688 66 T 3.9160 8.1558 117.8513 66.2746 68.4606 176.2774 67 A 3.8974 8.2454 122.2558 55.1927 18.3410 177.5568 68 P 4.1555 0.0000 0.0000 65.8809 31.1585 178.6907 69 K 4.0045 7.8072 115.4418 58.2460 31.4510 177.1951 70 Y 4.5862 7.6834 116.1153 56.9905 38.6764 176.4127 71 G 3.9890 8.1192 106.1784 46.2560 0.0000 174.2763 72 I 3.6983 7.1424 121.2879 61.3752 37.0468 176.3306 73 R 4.5240 8.2099 123.0065 55.9921 31.6088 175.7106 74 S 4.6670 7.4077 109.9484 57.2280 65.0497 173.7529 75 I 4.7797 8.1268 118.6683 58.0869 40.4468 173.2006 76 P 4.9400 0.0000 0.0000 62.5948 32.9991 175.0050 77 T 5.0506 8.5369 118.2007 61.8848 72.4041 172.5717 78 L 5.3189 9.0175 126.4472 53.2494 44.4351 175.4608 79 L 5.1030 9.2022 122.9326 52.8982 44.9681 175.2222 80 L 4.8610 9.3603 127.4579 54.1873 43.4912 175.0736 81 F 5.1809 9.7166 126.2683 55.8116 41.5747 175.0704 82 K 4.7626 9.0491 122.2269 55.0790 35.6852 176.0800 83 N 4.1540 9.3625 122.0087 54.7274 37.8303 175.0590 84 G 4.0386 7.9166 103.2902 45.3480 0.0000 173.4197 85 E 4.8876 8.2934 120.4301 53.6001 32.6433 175.0656 86 V 3.3284 8.4244 123.8947 63.0087 31.9838 175.2971 87 A 4.6519 8.5469 128.4447 52.9709 21.1381 176.3048 88 A 4.6230 7.3089 113.7959 51.4901 22.4236 175.5656 89 T 5.1617 8.6830 109.2923 59.7920 72.3581 173.1169 90 K 4.3889 8.7921 124.3347 54.6325 35.2823 174.6497 91 V 4.3747 8.5474 127.4024 62.4045 32.8133 176.1914 92 G 3.9439 9.4114 114.1166 44.9068 0.0000 172.9664 93 A 4.1086 8.0881 122.6706 52.5906 18.8430 176.9276 94 L 4.6461 7.7736 118.4457 53.2903 43.4336 176.1021 95 S 4.4475 9.4708 115.7434 57.3387 65.2584 175.0522 96 K 3.8990 8.6881 123.1574 60.0690 31.8894 178.8788 97 G 3.6732 8.1246 105.0281 47.9844 0.0000 175.4742 98 Q 4.3571 7.9403 121.3122 58.1724 28.7268 178.4176 99 L 4.0784 8.1186 121.5067 57.6213 41.9806 179.0167 100 K 4.0254 8.3306 120.0187 59.4467 31.9546 178.5218 101 E 3.9780 8.0898 118.5677 59.4806 29.2216 178.9885 102 F 4.2132 8.3359 119.4095 61.5965 39.8551 176.9228 103 L 3.8611 8.1625 118.4344 57.6341 41.3008 178.8418 104 D 4.4576 8.6059 117.6987 56.5588 40.9438 177.9724 105 A 3.9642 7.9602 120.5922 54.2148 18.3911 177.5697 106 N 4.7274 7.5906 111.9286 53.0958 40.4034 174.5916 107 L 4.3605 7.8077 114.3099 55.8683 44.1716 176.1504 108 A 4.1472 7.3578 121.7868 52.6850 19.1809 176.3086 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 K 8.31 4.27 0.00 1.74 1.92 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.41 7.81 4 I 7.55 3.89 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.00 0.66 0.00 0.00 5 I 9.32 4.06 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.85 0.00 0.00 6 H 8.78 4.90 0.00 3.06 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.60 4.71 0.00 1.67 1.68 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.67 4.95 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 1.24 0.00 0.00 9 D 9.25 4.51 0.00 2.66 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 10 D 8.02 4.69 0.00 2.67 2.74 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 11 S 8.25 4.50 0.00 4.17 4.11 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 12 F 7.84 3.89 0.00 3.40 3.16 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 13 D 8.32 4.40 0.00 2.85 2.71 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 14 T 7.68 3.93 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 1.19 0.00 0.00 15 D 8.00 4.42 0.00 2.44 2.57 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 16 V 7.31 3.81 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 0.00 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 17 L 7.48 4.03 0.00 1.84 1.77 1.19 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.56 4.39 0.00 1.80 1.79 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.35 7.81 19 A 7.61 4.20 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 20 D 8.43 4.91 0.00 2.78 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 21 G 8.54 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 22 A 8.13 4.78 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 23 I 9.11 4.91 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.83 0.00 0.00 24 L 8.74 4.79 0.00 1.79 1.54 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.20 4.64 2.37 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 0.53 0.00 0.00 0.93 0.00 0.00 26 D 9.23 5.13 0.00 2.71 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 27 F 9.34 5.27 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 28 W 9.25 5.29 0.00 3.37 3.34 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 29 A 7.77 3.73 0.06 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 0.00 0.00 30 E 8.07 3.99 0.00 1.75 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 2.34 2.43 0.00 31 W 7.17 4.50 0.00 3.53 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 32 C 7.34 4.72 0.00 2.09 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 33 G 8.86 3.75 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.18 2.13 0.00 3.67 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 2.15 2.21 0.00 35 C 8.22 4.23 0.00 3.18 3.30 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 36 K 7.93 3.85 0.00 1.90 1.89 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.68 7.81 37 M 7.88 4.18 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 38 I 7.70 4.10 1.83 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 1.70 0.46 0.97 0.00 0.00 39 A 7.34 3.80 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 40 P 0.00 4.39 0.00 2.14 2.08 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 41 I 7.43 3.68 2.04 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 1.50 0.67 0.90 0.00 0.00 42 L 7.72 4.00 0.00 1.72 1.62 0.79 1.03 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 43 D 7.91 4.31 0.00 2.85 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 44 E 7.95 4.00 0.00 2.17 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 0.00 2.33 2.54 0.00 45 I 7.86 3.85 1.85 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 1.63 0.93 0.76 0.00 0.00 46 A 7.87 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.53 4.47 0.00 2.67 2.86 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 0.00 0.00 0.00 48 E 8.42 4.16 0.00 2.12 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 2.33 2.36 0.00 49 Y 8.19 4.55 0.00 3.14 2.94 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 50 Q 7.71 4.11 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 51 G 9.61 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 0.00 0.00 0.00 52 K 7.85 4.65 0.00 2.21 1.90 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.24 7.81 53 L 7.65 4.59 0.00 1.66 1.76 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.68 4.60 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 1.16 0.00 0.00 55 V 8.33 4.47 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 0.88 0.00 0.00 0.92 0.00 0.00 56 A 9.28 5.15 1.07 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 57 K 8.96 4.93 0.00 1.55 1.71 0.00 1.30 0.00 0.00 1.00 0.00 0.00 2.47 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.13 7.81 58 L 9.02 4.95 0.00 1.50 0.96 0.98 0.32 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 59 N 8.82 4.56 0.00 2.44 2.50 0.00 0.00 6.91 7.77 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 60 I 8.19 4.30 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 1.08 0.00 0.00 61 D 8.38 4.45 0.00 2.80 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 62 Q 8.13 4.19 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.23 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 63 N 8.23 5.06 0.00 2.83 2.92 0.00 0.00 6.61 8.38 0.00 0.00 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 P 0.00 4.63 0.00 2.19 2.20 0.00 3.51 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 65 G 8.88 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 0.00 0.00 0.00 66 T 8.16 3.92 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 0.57 0.00 0.00 67 A 8.25 3.90 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 68 P 0.00 4.16 0.00 2.13 2.11 0.00 3.66 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 2.11 2.19 0.00 69 K 7.81 4.00 0.00 1.41 1.33 0.00 1.50 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.51 7.81 70 Y 7.68 4.59 0.00 3.07 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 71 G 8.12 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 72 I 7.14 3.70 1.67 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.31 0.78 0.00 0.00 73 R 8.21 4.52 0.00 1.75 1.93 0.00 3.24 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 74 S 7.41 4.67 0.00 3.79 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 75 I 8.13 4.78 1.99 0.00 0.00 0.38 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 0.85 1.00 0.00 0.00 76 P 0.00 4.94 0.00 2.15 2.24 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 77 T 8.54 5.05 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 1.13 0.00 0.00 78 L 9.02 5.32 0.00 1.44 1.58 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.20 5.10 0.00 1.85 1.43 0.74 0.23 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 80 L 9.36 4.86 0.00 1.86 1.64 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.72 5.18 0.00 3.03 2.93 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 82 K 9.05 4.76 0.00 1.63 1.67 0.00 1.78 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 83 N 9.36 4.15 0.00 2.84 2.85 0.00 0.00 7.28 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 84 G 7.92 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 85 E 8.29 4.89 0.00 2.07 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 2.22 2.27 0.00 86 V 8.42 3.33 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 0.64 0.00 0.00 0.44 0.00 0.00 87 A 8.55 4.65 1.20 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 88 A 7.31 4.62 1.15 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 89 T 8.68 5.16 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 1.17 0.00 0.00 90 K 8.79 4.39 0.00 0.79 1.06 0.00 1.44 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.06 0.96 7.81 91 V 8.55 4.37 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 0.82 0.00 0.00 0.90 0.00 0.00 92 G 9.41 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 93 A 8.09 4.11 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 94 L 7.77 4.65 0.00 1.88 1.53 0.76 0.52 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 95 S 9.47 4.45 0.00 4.03 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 96 K 8.69 3.90 0.00 1.89 1.88 0.00 1.64 0.00 0.00 2.02 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.63 7.81 97 G 8.12 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 0.00 0.00 0.00 98 Q 7.94 4.36 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 99 L 8.12 4.08 0.00 1.74 1.83 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.33 4.03 0.00 2.20 1.97 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.35 7.81 101 E 8.09 3.98 0.00 2.35 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 2.37 2.50 0.00 102 F 8.34 4.21 0.00 3.03 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 0.00 103 L 8.16 3.86 0.00 1.80 1.42 0.46 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.61 4.46 0.00 2.93 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 0.00 105 A 7.96 3.96 1.26 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 0.00 0.00 0.00 106 N 7.59 4.73 0.00 2.48 2.69 0.00 0.00 6.80 7.13 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 0.00 107 L 7.81 4.36 0.00 1.74 1.71 0.93 0.88 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 0.00 108 A 7.36 4.15 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