NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4281 8.3193 115.4031 58.3628 63.8985 173.4049 -1 N 4.3710 7.8872 119.1306 54.8963 38.5661 175.2532 0 A 4.1382 8.6727 122.0682 52.9974 19.9848 177.9911 1 M 4.4540 8.5808 118.6871 55.9750 33.8773 175.6824 2 I 4.6864 7.5954 119.6539 60.0334 38.3163 175.3461 3 H 4.3100 9.3434 128.3237 58.6802 30.4810 174.9388 4 G 4.1219 7.4257 103.0158 46.1648 0.0000 171.9225 5 I 5.1475 7.6454 112.1118 59.1081 41.3712 174.5519 6 G 4.3430 8.9735 109.7823 44.8818 0.0000 171.8598 7 V 5.0871 8.1311 120.0705 60.1290 35.0040 173.8276 8 D 4.7633 9.1280 121.4072 52.8410 45.0479 173.3964 9 L 5.0146 8.6197 126.7880 53.3652 44.7062 175.3516 10 I 4.8050 8.9906 126.2491 59.5089 41.5900 174.5540 11 E 4.1713 8.8367 126.3051 55.6763 30.2379 177.4418 12 I 3.6429 8.4236 126.2291 64.7513 37.1764 177.9860 13 D 4.3714 8.0183 118.9128 57.6383 40.6182 179.1465 14 R 3.9141 7.7841 117.7992 59.3083 29.9973 179.2562 15 I 3.6507 7.5505 119.1407 64.1520 37.2108 178.1211 16 Q 3.9794 8.4979 120.6440 59.3059 28.8785 177.5784 17 A 3.9691 8.3854 122.0241 55.7392 18.3879 179.5237 18 L 3.9032 8.1315 116.3932 58.0726 41.5250 179.3815 19 Y 4.3418 8.1028 118.8362 60.7406 38.7787 177.8805 20 S 4.0811 7.9391 115.5857 61.1949 63.0217 176.1014 21 K 4.3477 8.1341 121.9019 57.7639 33.1262 176.8279 22 Q 4.3920 8.4375 117.5411 53.2726 29.2536 173.0059 23 P 3.9801 0.0000 0.0000 66.1375 31.6643 178.3824 24 K 4.3489 7.9203 114.2934 57.5441 32.3013 178.4165 25 L 4.2137 8.1463 121.2697 57.5970 41.5719 179.5526 26 V 3.3915 7.6619 118.6269 64.7914 31.1324 177.9797 27 E 4.2537 7.8315 117.0200 57.6596 29.9367 178.1296 28 R 4.2948 8.0415 116.1655 57.6111 30.4953 176.9801 29 I 4.3160 7.4865 118.1082 61.9112 38.7401 175.9930 30 L 4.8382 7.3615 118.5318 53.1885 43.2195 177.0456 31 T 4.2732 8.9329 113.5547 61.0766 70.9614 175.9119 32 K 3.9634 8.5643 120.1373 59.8534 31.8655 179.2603 33 N 4.4031 8.1637 116.0742 56.4775 38.5101 177.2200 34 E 4.2879 8.5199 119.9936 59.4403 29.5338 179.3565 35 Q 4.1258 8.6576 118.7105 59.1574 28.5616 178.1319 36 H 4.0924 8.1514 118.0738 59.3200 30.1514 176.9239 37 K 3.6601 7.7591 119.8791 59.3714 31.9945 178.7328 38 F 4.0651 8.3935 121.0559 61.7176 39.1036 176.7692 39 N 4.6404 8.6280 113.5811 55.1360 38.4920 176.2769 40 N 4.4394 7.4787 116.9263 53.3008 39.2997 175.5794 41 F 4.2538 6.7065 118.8173 57.5929 39.4082 175.6982 42 T 4.0270 8.6175 115.2367 63.5132 69.6082 174.5217 43 H 4.8655 7.9486 122.0876 54.2512 31.6858 174.5683 44 E 3.8642 8.7426 128.3157 59.6450 29.4146 179.0792 45 Q 3.8624 7.6705 118.9625 59.0782 29.0414 178.3990 46 R 3.6645 7.4755 119.0040 58.6020 29.8949 179.0319 47 K 3.4529 7.4232 117.8433 59.4074 31.9637 179.1989 48 I 3.6690 7.4723 119.8830 64.4055 36.9230 178.3500 49 E 3.8989 8.0504 119.3882 59.3010 29.2321 179.1997 50 F 4.0734 8.1766 120.7162 61.1575 39.4012 176.9307 51 L 3.8926 8.4822 119.9741 58.0449 41.8309 178.7192 52 A 4.0890 8.4063 121.2434 55.1837 18.3035 179.7923 53 G 3.5391 8.3102 104.3635 48.0696 0.0000 176.1718 54 R 3.7306 7.8488 120.5565 58.6303 29.9878 178.8828 55 F 3.6264 8.4324 120.6261 61.1711 39.3468 176.9568 56 A 4.1938 8.2304 121.9681 54.9229 18.0515 179.7399 57 T 4.0356 7.8734 115.5186 66.2617 68.4873 177.1216 58 K 4.0074 8.0491 120.5030 59.3311 32.0305 179.3429 59 E 3.8822 8.0367 118.7929 59.2732 29.3128 179.1975 60 A 3.9540 8.2752 121.2140 55.0363 18.4228 179.4096 61 F 3.8399 8.5212 119.5049 61.4526 39.5797 177.2162 62 S 4.0414 8.3659 112.7799 61.4469 61.9420 176.3442 63 K 3.9346 7.9160 119.8567 59.2999 31.8528 178.9278 64 A 4.1815 7.8829 122.5625 54.4354 17.9832 179.6948 65 L 3.8589 7.1639 116.9464 56.8120 41.9045 177.6396 66 G 4.0277 7.7717 109.1278 45.1121 0.0000 174.4704 67 T 3.8637 9.0591 122.9916 66.9013 68.1901 176.4809 68 G 3.7657 8.0952 105.9799 47.3965 0.0000 174.8391 69 L 4.5542 7.8279 120.1061 56.9312 42.4690 179.0285 70 G 4.1392 8.8867 107.6236 47.0418 0.0000 175.6151 71 K 4.0636 8.3116 120.1314 59.4812 32.6443 178.2061 72 H 4.5648 8.1538 115.9610 55.6710 28.9424 175.0395 73 V 4.0363 7.2046 121.5895 60.9865 32.0566 175.4830 74 A 3.9832 8.4195 130.6757 51.9952 19.2281 177.7105 75 F 4.4677 8.6076 121.2998 61.0130 39.1097 177.6200 76 N 4.3676 8.4088 115.5728 55.7387 38.3563 175.1844 77 D 4.7010 8.0053 115.9089 53.9195 41.5770 176.1745 78 I 4.1228 7.8752 121.3932 59.5259 37.6967 174.9636 79 D 4.5574 8.5249 126.4309 52.8579 40.8384 175.4092 80 C 4.7397 8.9619 129.3449 58.6484 32.0958 172.2118 81 Y 4.9815 8.4474 124.9063 55.4137 41.2055 173.8902 82 N 5.5547 8.7294 116.2959 51.4265 41.3984 175.3263 83 D 4.8318 8.8409 123.3928 52.5806 41.0182 176.6941 84 E 4.0816 8.7666 117.5261 58.9541 29.3887 177.8871 85 L 4.4023 8.2112 116.7813 54.1097 42.0059 177.2305 86 G 3.9465 8.4796 107.3449 45.2824 0.0000 173.8252 87 K 4.3197 8.4012 122.6000 55.1813 33.2747 174.5925 88 P 4.8502 0.0000 0.0000 62.9690 32.2687 175.5875 89 K 4.6118 8.9563 120.6952 54.8640 36.7712 175.2991 90 I 4.9745 8.0325 121.6066 59.9978 41.1150 174.2527 91 D 5.0049 8.9824 126.2126 52.8508 42.7170 175.6735 92 Y 4.5808 8.4614 124.3278 56.0944 41.2403 173.3797 93 E 4.0133 8.5075 128.4841 58.1984 30.1369 176.9940 94 G 3.7501 9.4317 114.0023 44.8017 0.0000 172.3383 95 F 5.6660 7.7433 116.4503 55.8414 43.3873 174.3588 96 I 4.4768 9.0727 121.7485 59.8571 39.0725 174.9024 97 V 4.5850 8.4722 127.5225 61.6564 32.9605 174.3777 98 H 5.0434 9.0608 125.3172 54.0970 31.1537 173.7494 99 V 4.9651 8.3049 121.6075 61.3281 34.9233 174.3579 100 S 4.7070 9.0682 120.3893 56.7813 66.0009 172.5223 101 I 5.0307 8.4193 126.4964 59.6252 40.1442 174.7832 102 S 4.7342 9.1997 119.6707 56.9601 66.1236 172.3007 103 H 5.5424 8.8509 121.8008 54.3422 31.1137 172.5962 104 T 4.7441 8.8335 111.6699 59.2885 71.7718 174.1903 105 E 4.1014 8.9053 121.1046 59.0865 29.5683 177.0700 106 H 4.7327 7.8079 113.3528 55.6377 30.6378 173.2309 107 Y 5.3762 8.0159 116.0656 56.0578 42.4258 174.1504 108 A 5.2537 9.1475 123.1832 50.4928 22.9172 174.8714 109 M 5.2528 9.1157 119.6694 53.9782 36.1367 173.9633 110 S 5.1550 9.0668 119.2697 56.5238 66.6117 172.1552 111 Q 4.9957 9.1060 126.3895 54.2895 32.2848 174.1977 112 V 4.9516 8.8191 124.7889 61.0877 35.3711 174.0916 113 V 4.4941 8.8394 126.9873 61.0608 34.5412 174.0612 114 L 4.5322 8.6827 128.7213 53.2380 42.8447 175.1782 115 E 4.7769 9.0030 126.5614 55.0205 31.2333 175.7413 116 K 4.7246 9.0743 126.8547 56.7194 32.2558 177.6892 117 S 4.3849 8.8899 120.7561 61.2264 63.3002 173.9053 118 A 4.4825 7.2589 121.3649 51.9146 21.0293 175.5855 119 F 3.8835 8.9204 113.2014 58.5319 39.1064 175.1435 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 -2 S 8.32 4.43 0.00 3.84 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 -1 N 7.89 4.37 0.00 2.97 3.03 0.00 0.00 6.30 6.38 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 A 8.67 4.14 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 1 M 8.58 4.45 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 2 I 7.60 4.69 1.86 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 1.24 0.56 0.94 0.00 0.00 3 H 9.34 4.31 0.00 3.31 3.22 0.00 5.80 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 4 G 7.43 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 5 I 7.65 5.15 1.81 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 1.21 0.87 0.85 0.00 0.00 6 G 8.97 4.34 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 0.00 7 V 8.13 5.09 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 0.68 0.00 0.00 0.94 0.00 0.00 8 D 9.13 4.76 0.00 2.74 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 9 L 8.62 5.01 0.00 1.62 1.51 0.87 0.75 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 10 I 8.99 4.80 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 0.94 0.00 0.00 11 E 8.84 4.17 0.00 1.96 1.66 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 2.52 2.44 0.00 12 I 8.42 3.64 1.76 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 1.57 1.01 0.85 0.00 0.00 13 D 8.02 4.37 0.00 2.67 2.69 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 14 R 7.78 3.91 0.00 1.95 1.91 0.00 3.18 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 1.62 1.63 0.00 15 I 7.55 3.65 1.95 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.85 0.00 0.00 16 Q 8.50 3.98 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 17 A 8.39 3.97 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 18 L 8.13 3.90 0.00 1.68 1.72 0.87 0.61 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 19 Y 8.10 4.34 0.00 2.94 3.24 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 20 S 7.94 4.08 0.00 4.05 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 21 K 8.13 4.35 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 22 Q 8.44 4.39 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 23 P 0.00 3.98 0.00 2.12 1.95 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 24 K 7.92 4.35 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 25 L 8.15 4.21 0.00 1.93 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.66 3.39 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 0.78 0.00 0.00 0.21 0.00 0.00 27 E 7.83 4.25 0.00 2.14 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 2.29 2.40 0.00 28 R 8.04 4.29 0.00 1.89 2.16 0.00 3.42 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 29 I 7.49 4.32 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.77 0.00 0.00 30 L 7.36 4.84 0.00 1.78 1.66 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.93 4.27 4.29 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 1.34 0.00 0.00 32 K 8.56 3.96 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.57 7.81 33 N 8.16 4.40 0.00 2.97 2.93 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 34 E 8.52 4.29 0.00 2.39 2.31 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 2.57 2.66 0.00 35 Q 8.66 4.13 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 36 H 8.15 4.09 0.00 3.12 3.54 0.00 5.96 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 37 K 7.76 3.66 0.00 1.82 1.18 0.00 1.96 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.59 7.81 38 F 8.39 4.07 0.00 3.36 3.29 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 39 N 8.63 4.64 0.00 2.71 2.89 0.00 0.00 7.10 7.82 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 40 N 7.48 4.44 0.00 2.52 2.54 0.00 0.00 6.98 7.59 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 41 F 6.71 4.25 0.00 2.86 2.77 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 42 T 8.62 4.03 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 1.19 0.00 0.00 43 H 7.95 4.87 0.00 3.16 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.74 3.86 0.00 1.98 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 2.40 2.34 0.00 45 Q 7.67 3.86 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 46 R 7.48 3.66 0.00 1.75 1.27 0.00 3.13 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 47 K 7.42 3.45 0.00 1.58 0.75 0.00 1.69 0.00 0.00 1.01 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.08 1.38 7.81 48 I 7.47 3.67 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.99 0.88 0.00 0.00 49 E 8.05 3.90 0.00 1.94 1.71 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 2.24 2.53 0.00 50 F 8.18 4.07 0.00 2.91 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 51 L 8.48 3.89 0.00 2.07 1.88 0.77 1.33 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 52 A 8.41 4.09 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 53 G 8.31 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 3.73 0.00 1.68 1.77 0.00 3.09 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.15 0.00 55 F 8.43 3.63 0.00 2.99 3.09 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 0.00 0.00 0.00 56 A 8.23 4.19 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 57 T 7.87 4.04 4.27 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 1.16 0.00 0.00 58 K 8.05 4.01 0.00 1.44 1.99 0.00 1.45 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.48 7.81 59 E 8.04 3.88 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.97 0.00 60 A 8.28 3.95 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 61 F 8.52 3.84 0.00 3.13 3.17 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 62 S 8.37 4.04 0.00 4.00 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 63 K 7.92 3.93 0.00 1.87 1.79 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.55 7.81 64 A 7.88 4.18 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 65 L 7.16 3.86 0.00 1.62 1.63 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.77 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 0.00 0.00 0.00 67 T 9.06 3.86 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 1.20 0.00 0.00 68 G 8.10 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 69 L 7.83 4.55 0.00 1.85 1.77 0.97 0.93 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 70 G 8.89 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 0.00 0.00 0.00 71 K 8.31 4.06 0.00 1.79 1.96 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.20 7.81 72 H 8.15 4.56 0.00 3.33 3.40 0.00 5.64 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 73 V 7.20 4.04 2.30 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 0.88 0.00 0.00 1.13 0.00 0.00 74 A 8.42 3.98 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 75 F 8.61 4.47 0.00 3.37 3.24 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 76 N 8.41 4.37 0.00 2.76 2.96 0.00 0.00 6.80 8.06 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 77 D 8.01 4.70 0.00 2.90 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 78 I 7.88 4.12 1.82 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 1.35 0.74 0.54 0.00 0.00 79 D 8.52 4.56 0.00 2.66 2.69 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 80 C 8.96 4.74 0.00 2.97 2.99 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 81 Y 8.45 4.98 0.00 3.19 3.08 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 0.00 0.00 0.00 82 N 8.73 5.55 0.00 2.67 2.80 0.00 0.00 6.90 8.06 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 83 D 8.84 4.83 0.00 2.96 2.90 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 0.00 0.00 0.00 84 E 8.77 4.08 0.00 1.99 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 2.34 2.43 0.00 85 L 8.21 4.40 0.00 1.77 1.70 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.48 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 87 K 8.40 4.32 0.00 1.86 2.05 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.37 7.81 88 P 0.00 4.85 0.00 2.06 2.02 0.00 3.75 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 1.96 1.98 0.00 89 K 8.96 4.61 0.00 0.79 1.07 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.17 1.30 7.81 90 I 8.03 4.97 1.86 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 1.25 0.45 0.77 0.00 0.00 91 D 8.98 5.00 0.00 2.80 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 92 Y 8.46 4.58 0.00 3.17 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 93 E 8.51 4.01 0.00 1.83 1.65 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 2.20 2.27 0.00 94 G 9.43 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 95 F 7.74 5.67 0.00 3.23 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 96 I 9.07 4.48 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.86 0.00 0.00 97 V 8.47 4.58 2.36 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 0.91 0.00 0.00 1.20 0.00 0.00 98 H 9.06 5.04 0.00 3.26 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.30 4.97 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 0.75 0.00 0.00 0.92 0.00 0.00 100 S 9.07 4.71 0.00 3.88 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 0.00 101 I 8.42 5.03 1.86 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 1.17 0.76 0.79 0.00 0.00 102 S 9.20 4.73 0.00 3.77 3.59 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 0.00 103 H 8.85 5.54 0.00 3.01 3.14 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.83 4.74 4.31 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 1.27 0.00 0.00 105 E 8.91 4.10 0.00 1.86 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 1.72 2.16 0.00 106 H 7.81 4.73 0.00 3.23 2.90 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.02 5.38 0.00 2.93 2.78 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 0.00 108 A 9.15 5.25 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 0.00 109 M 9.12 5.25 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 110 S 9.07 5.15 0.00 3.85 3.65 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 0.00 111 Q 9.11 5.00 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 112 V 8.82 4.95 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 0.93 0.00 0.00 0.98 0.00 0.00 113 V 8.84 4.49 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 1.00 0.00 0.00 0.90 0.00 0.00 114 L 8.68 4.53 0.00 1.13 0.56 -0.14 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.00 4.78 0.00 2.16 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 0.00 2.37 2.51 0.00 116 K 9.07 4.72 0.00 1.77 1.86 0.00 1.97 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.69 7.81 117 S 8.89 4.38 0.00 3.79 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 0.00 118 A 7.26 4.48 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 0.00 119 F 8.92 3.88 0.00 3.19 3.05 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 0.00 0.00 0.00