NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.4353 8.1833 122.8204 57.9794 41.5864 176.8896 4 K 3.7444 8.0751 119.6072 57.7902 32.2141 177.4805 5 K 3.9465 8.2987 120.0182 59.4938 32.5992 178.6005 6 V 3.5390 7.7910 117.8466 65.7429 31.5164 177.6506 7 A 3.9186 7.4389 120.3069 54.8949 18.1786 179.2159 8 K 3.7662 8.0803 118.0453 60.0980 32.3065 178.8974 9 E 3.9888 8.0911 118.0901 59.4989 29.2572 179.6606 10 T 3.9033 7.9367 115.8644 66.3383 68.4875 176.7796 11 A 3.9914 8.4108 123.1657 55.1220 18.3824 179.7274 12 I 3.6432 7.9047 118.2815 64.9378 37.2248 178.5984 13 T 3.8769 7.8841 116.4870 66.7856 68.2032 176.3721 14 L 4.0469 8.1553 122.1223 57.9217 42.2305 178.4768 15 Q 3.9792 8.4222 119.9738 59.6756 29.0048 178.6775 16 S 4.1746 8.2545 115.9009 61.8634 62.8429 176.3348 17 Y 4.0899 8.0390 122.1897 60.6715 38.5216 177.7215 18 L 4.0187 8.3828 120.1429 57.7857 41.5519 179.5952 19 T 3.7915 7.7751 115.4374 66.8684 68.4534 175.6468 20 Y 3.9457 7.7800 121.2519 61.1185 38.6665 178.5059 21 Q 3.4790 7.8384 118.3545 58.4050 28.6058 178.4020 22 A 3.8639 8.0980 122.2536 55.2491 18.5257 179.6165 23 V 3.4801 7.8973 116.6042 66.1856 31.5140 178.4279 24 R 3.6512 7.6119 118.2599 59.1679 29.6003 178.2141 25 L 3.8970 7.7912 120.1324 58.2200 42.0235 179.0372 26 I 3.7151 8.0226 120.0923 64.3668 37.0636 178.2774 27 S 4.0849 8.1495 114.0349 61.4371 61.9553 175.9291 28 Q 3.9559 7.7287 120.9185 59.1727 29.0696 177.9263 29 Q 4.0851 7.7870 120.0902 59.3420 29.1901 178.1870 30 L 4.0407 8.1353 119.9846 57.8667 41.3374 179.6023 31 S 4.1585 7.9397 114.5900 61.4774 62.7750 176.0283 32 E 4.1384 8.1049 121.2992 58.6635 29.6050 177.6693 33 T 4.4167 7.7528 107.0555 62.2219 71.8907 174.2944 34 N 5.0056 8.0130 118.4888 50.8980 38.8849 171.6986 35 P 4.6015 0.0000 0.0000 63.8824 32.8215 175.4872 36 G 4.2295 9.1199 107.6227 46.2254 0.0000 175.5283 37 Q 4.1117 8.0391 119.1655 58.3337 29.2496 177.3691 38 A 4.0830 7.9080 121.6989 55.3843 18.4252 179.7328 39 I 3.8522 7.9171 110.6496 63.4399 37.7126 178.0962 40 W 4.1095 8.0154 130.9528 60.1408 30.5627 177.6088 41 L 3.8049 8.5734 120.7343 58.1709 41.3907 179.0184 42 G 3.7435 7.6542 103.7434 47.9289 0.0000 174.7056 43 E 4.0187 7.9310 121.2648 59.0311 29.7386 178.7369 44 F 3.8072 7.8217 120.6950 61.2570 39.0995 177.2815 45 S 4.4346 7.9522 113.7064 61.1150 62.6318 176.4013 46 K 4.1244 7.4541 120.2456 59.2814 31.9265 179.2649 47 R 4.0262 7.6645 116.8607 57.3142 30.1156 176.4200 48 H 4.5931 7.2826 115.1918 52.7539 32.1030 171.2264 49 P 4.3362 0.0000 0.0000 62.4518 31.2259 177.0528 50 I 3.2399 8.4397 124.4657 63.2784 38.1637 176.4108 51 Q 4.0656 8.1960 120.5022 59.1927 29.1762 177.5165 52 E 4.4427 7.9001 119.5087 54.4508 26.7590 176.6475 53 S 4.1577 8.0198 118.4457 61.6258 63.4173 176.4571 54 D 4.4035 8.1145 121.9999 56.9981 40.6436 178.6176 55 L 4.0434 7.9449 118.9663 57.8952 41.4910 178.6122 56 Y 4.1115 8.2781 118.7371 60.8253 39.0303 178.1086 57 L 4.2190 8.5729 120.0067 58.0916 40.5336 179.1156 58 E 3.9779 8.3464 118.2262 59.7699 29.4147 179.5396 59 A 4.4076 8.2277 120.7631 54.4085 18.5360 178.5897 60 M 4.1044 8.1126 113.9251 56.2444 31.5324 177.7988 61 M 3.9895 7.3079 119.5933 58.6169 32.3885 176.9274 62 L 4.5081 7.2769 115.8411 54.7700 42.1461 177.1522 63 E 4.6758 7.4306 112.9502 56.6565 32.8489 175.2389 64 N 4.4435 8.2103 114.9924 51.9191 41.3420 174.5002 65 K 4.0435 8.0282 123.7443 58.6953 32.5710 178.0451 66 E 4.1024 8.0055 116.9181 58.4553 29.7996 178.7147 67 L 3.9810 7.8036 122.5378 57.8085 42.0936 178.8797 68 V 3.6202 7.3875 118.1699 65.0246 31.2978 178.1585 69 L 3.9433 7.7235 119.6623 57.2696 41.4742 179.4305 70 R 3.8648 8.0320 118.3430 59.6343 29.9404 178.4433 71 I 3.7180 8.1475 119.7547 64.4839 36.9305 178.3394 72 L 3.9949 8.2419 119.9420 58.1812 41.5576 179.8555 73 T 3.8984 7.8393 115.3875 66.5422 68.3230 177.1068 74 V 3.5917 7.9211 120.4156 65.8900 31.5993 178.1599 75 R 3.8854 8.1925 116.1728 59.4909 29.1982 178.4760 76 E 4.1042 7.9898 119.9183 58.7455 29.6504 178.6368 77 N 4.3583 7.9666 116.3755 56.1398 38.6378 177.3264 78 L 3.9719 8.2683 120.5282 57.6637 41.7329 179.2160 79 A 3.9982 8.4027 121.1054 55.4510 18.1004 179.3615 80 E 3.9688 8.1444 116.3075 59.2272 29.7188 178.8106 81 G 3.7753 7.7941 104.7259 46.5305 0.0000 175.2694 82 V 4.4775 7.8843 112.7276 61.3801 33.4753 177.9898 83 L 3.9869 7.7437 119.5018 57.8861 41.3205 179.2312 84 E 3.9196 7.9209 115.2341 59.3252 29.3986 178.2883 85 F 4.8197 7.6483 116.9828 58.6341 39.1201 177.6958 86 L 4.0851 8.0858 119.9598 57.2309 41.5467 177.0794 87 P 4.2403 0.0000 0.0000 65.7542 31.3347 178.1273 88 E 3.9703 8.2771 116.5394 59.8479 29.4369 179.0111 89 M 4.0103 7.7518 117.7609 58.6554 32.2633 178.4878 90 V 3.5386 8.1935 118.6108 65.8604 31.8234 177.6028 91 L 3.9269 7.9561 120.1190 58.2143 41.8954 178.8648 92 S 4.0429 8.1217 112.7931 61.6638 62.3233 176.0479 93 Q 4.0246 8.0470 120.6624 59.0944 28.4129 179.1665 94 I 3.7033 8.2048 121.1370 64.1700 37.1544 178.5626 95 K 3.9008 8.0181 119.3022 59.5582 31.9736 178.9149 96 Q 3.9370 8.0248 119.6958 59.4833 28.9250 178.6670 97 S 4.0685 8.3490 114.1088 61.3010 62.4447 175.6300 98 N 4.4457 8.8579 119.7415 56.7305 38.3392 176.8709 99 G 3.7643 8.6615 106.8160 48.5800 0.0000 175.1007 100 N 4.3400 8.4906 118.6012 55.9660 38.7135 177.4640 101 H 4.2687 8.2999 117.5047 58.7322 28.7365 178.0342 102 R 3.9012 8.1530 119.8368 59.4352 29.9317 179.0215 103 R 3.8948 8.0130 117.7254 59.6718 30.1757 179.0818 104 S 4.0669 8.4452 112.9857 61.0775 61.8450 176.0068 105 L 3.9683 8.0233 123.0107 58.1836 41.7956 178.9200 106 L 4.1214 8.3976 117.5684 57.3079 41.6952 179.2355 107 E 4.1519 8.3264 119.4528 58.9743 29.4155 179.3917 108 R 4.2814 7.6299 113.5844 56.9602 31.1411 177.2351 109 L 4.4820 7.0213 117.4858 57.8578 43.4914 178.4975 110 T 3.9679 8.0801 113.8711 66.7103 68.5642 173.7349 111 Q 4.1183 7.8481 125.0388 56.2984 28.9875 175.3883 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 F 8.18 4.44 0.00 3.19 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 4 K 8.08 3.74 0.00 1.95 1.88 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.55 7.81 5 K 8.30 3.95 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.46 7.81 6 V 7.79 3.54 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 0.82 0.00 0.00 0.86 0.00 0.00 7 A 7.44 3.92 1.25 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 8 K 8.08 3.77 0.00 1.99 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 E 8.09 3.99 0.00 2.19 1.96 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 2.32 2.47 0.00 10 T 7.94 3.90 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 1.16 0.00 0.00 11 A 8.41 3.99 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 12 I 7.90 3.64 1.87 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 1.53 0.69 0.92 0.00 0.00 13 T 7.88 3.88 4.42 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 1.18 0.00 0.00 14 L 8.16 4.05 0.00 2.02 1.69 0.89 0.67 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 15 Q 8.42 3.98 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 16 S 8.25 4.17 0.00 4.11 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 17 Y 8.04 4.09 0.00 3.21 3.14 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 18 L 8.38 4.02 0.00 1.76 1.72 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.78 3.79 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 1.18 0.00 0.00 20 Y 7.78 3.95 0.00 2.89 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 21 Q 7.84 3.48 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.95 2.38 0.00 22 A 8.10 3.86 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 23 V 7.90 3.48 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 1.06 0.00 0.00 1.00 0.00 0.00 24 R 7.61 3.65 0.00 1.28 1.68 0.00 2.86 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 25 L 7.79 3.90 0.00 1.85 1.67 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.02 3.72 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 1.40 0.39 0.93 0.00 0.00 27 S 8.15 4.08 0.00 4.08 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 28 Q 7.73 3.96 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 29 Q 7.79 4.09 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 30 L 8.14 4.04 0.00 1.90 1.74 0.98 0.85 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 31 S 7.94 4.16 0.00 4.12 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 32 E 8.10 4.14 0.00 1.96 2.17 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 2.31 2.35 0.00 33 T 7.75 4.42 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 1.21 0.00 0.00 34 N 8.01 5.01 0.00 2.69 2.68 0.00 0.00 6.99 7.85 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 35 P 0.00 4.60 0.00 2.24 2.20 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 36 G 9.12 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 0.00 0.00 0.00 0.00 37 Q 8.04 4.11 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 38 A 7.91 4.08 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 39 I 7.92 3.85 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 0.98 0.00 0.00 40 W 8.02 4.11 0.00 3.53 3.42 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 41 L 8.57 3.80 0.00 2.13 1.95 1.02 1.41 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 42 G 7.65 3.74 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 0.00 0.00 0.00 43 E 7.93 4.02 0.00 2.20 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 2.29 2.29 0.00 44 F 7.82 3.81 0.00 2.03 2.66 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 0.00 0.00 0.00 0.00 45 S 7.95 4.43 0.00 4.12 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 46 K 7.45 4.12 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.59 7.81 47 R 7.66 4.03 0.00 1.57 1.58 0.00 3.05 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 48 H 7.28 4.59 0.00 2.49 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.34 0.00 2.22 2.20 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 50 I 8.44 3.24 1.74 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 -0.09 0.78 0.85 0.00 0.00 51 Q 8.20 4.07 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.18 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 52 E 7.90 4.44 0.00 2.12 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 0.00 2.30 2.47 0.00 53 S 8.02 4.16 0.00 4.06 4.13 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 0.00 0.00 0.00 0.00 54 D 8.11 4.40 0.00 2.75 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 55 L 7.94 4.04 0.00 1.93 1.79 0.95 0.81 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 56 Y 8.28 4.11 0.00 3.04 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 57 L 8.57 4.22 0.00 1.82 1.77 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.35 3.98 0.00 2.27 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 0.00 2.37 2.40 0.00 59 A 8.23 4.41 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 60 M 8.11 4.10 0.00 1.03 1.71 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 61 M 7.31 3.99 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 62 L 7.28 4.51 0.00 1.99 1.72 0.94 0.86 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 63 E 7.43 4.68 0.00 2.16 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 0.00 2.43 2.50 0.00 64 N 8.21 4.44 0.00 1.99 2.49 0.00 0.00 7.11 6.31 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 65 K 8.03 4.04 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.49 7.81 66 E 8.01 4.10 0.00 2.16 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 0.00 2.29 2.31 0.00 67 L 7.80 3.98 0.00 1.84 1.83 0.96 1.00 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 68 V 7.39 3.62 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 0.93 0.00 0.00 0.95 0.00 0.00 69 L 7.72 3.94 0.00 1.91 1.77 0.91 0.60 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 70 R 8.03 3.86 0.00 2.02 2.16 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 71 I 8.15 3.72 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.60 0.96 0.00 0.00 72 L 8.24 3.99 0.00 1.80 1.73 0.94 0.83 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 73 T 7.84 3.90 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 1.21 0.00 0.00 74 V 7.92 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 1.12 0.00 0.00 0.94 0.00 0.00 75 R 8.19 3.89 0.00 2.06 2.17 0.00 2.84 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 76 E 7.99 4.10 0.00 2.04 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 0.00 2.30 2.35 0.00 77 N 7.97 4.36 0.00 2.96 2.84 0.00 0.00 6.92 6.47 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 78 L 8.27 3.97 0.00 1.84 1.73 0.88 0.71 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 79 A 8.40 4.00 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 80 E 8.14 3.97 0.00 2.19 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 2.30 2.34 0.00 81 G 7.79 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 0.00 0.00 0.00 82 V 7.88 4.48 2.21 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 1.18 0.00 0.00 1.04 0.00 0.00 83 L 7.74 3.99 0.00 1.74 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.92 3.92 0.00 1.93 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 0.00 1.76 1.47 0.00 85 F 7.65 4.82 0.00 3.24 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 86 L 8.09 4.09 0.00 1.85 1.73 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.24 0.00 2.18 2.12 0.00 3.84 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 2.13 2.20 0.00 88 E 8.28 3.97 0.00 2.12 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 0.00 2.45 2.47 0.00 89 M 7.75 4.01 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 90 V 8.19 3.54 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 0.95 0.00 0.00 0.94 0.00 0.00 91 L 7.96 3.93 0.00 1.86 1.74 0.93 0.78 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 92 S 8.12 4.04 0.00 3.95 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 93 Q 8.05 4.02 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 94 I 8.20 3.70 2.05 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 1.51 0.83 0.91 0.00 0.00 95 K 8.02 3.90 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 96 Q 8.02 3.94 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 97 S 8.35 4.07 0.00 4.00 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 98 N 8.86 4.45 0.00 2.99 2.87 0.00 0.00 6.89 7.51 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 99 G 8.66 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.34 0.00 2.65 2.83 0.00 0.00 7.19 7.48 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 0.00 101 H 8.30 4.27 0.00 3.45 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.15 3.90 0.00 2.12 1.98 0.00 3.30 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 103 R 8.01 3.89 0.00 2.09 2.00 0.00 3.12 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 1.66 1.66 0.00 104 S 8.45 4.07 0.00 3.93 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 0.00 105 L 8.02 3.97 0.00 1.90 1.86 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.40 4.12 0.00 1.79 1.72 0.92 1.16 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 0.00 107 E 8.33 4.15 0.00 2.18 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 0.00 2.33 2.35 0.00 108 R 7.63 4.28 0.00 1.98 2.01 0.00 3.04 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 109 L 7.02 4.48 0.00 1.69 1.73 0.92 0.79 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 0.00 110 T 8.08 3.97 4.43 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 1.21 0.00 0.00 111 Q 7.85 4.12 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00