NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2897 8.2649 123.5791 51.6356 19.8643 178.7944 2 T 4.5456 7.4605 118.3065 61.9190 71.2643 172.5773 3 M 3.9904 9.4368 127.1669 56.5779 33.9323 174.2373 4 T 4.9398 8.4918 121.9191 62.2425 69.9796 174.0390 5 L 5.1198 8.9921 127.1050 53.3816 44.6000 175.6779 6 T 4.9037 9.0764 110.4174 59.8191 72.2049 174.6427 7 D 4.4592 9.3243 120.8144 56.8563 41.0406 178.5512 8 A 4.1512 8.2721 121.0691 54.8622 18.6211 178.3155 9 N 4.9748 7.7578 110.2032 52.6981 37.9293 176.3779 10 F 3.8461 8.3260 124.5141 61.8510 39.2354 176.6187 11 Q 3.9958 8.2557 115.3391 59.2658 28.8134 178.7030 12 Q 4.0756 8.0712 117.8909 58.9577 28.6668 178.5543 13 A 3.8585 7.8001 121.8002 55.1707 18.1677 179.1787 14 I 3.7689 7.2084 109.1128 62.0293 37.4329 176.8435 15 Q 4.6637 7.6115 119.6248 57.1958 29.9050 176.3033 16 G 3.9331 7.6179 111.0946 45.1174 0.0000 173.5186 17 D 4.4000 8.6158 118.4234 57.2445 41.1813 176.8962 18 K 4.5048 7.5656 116.9963 54.6279 33.7560 174.7348 19 P 4.5456 0.0000 0.0000 62.9222 33.0083 175.3078 20 V 4.7720 8.5734 122.1081 61.1158 34.3832 174.0974 21 L 4.9650 9.0092 130.9935 53.9674 43.2137 174.9283 22 V 4.5691 8.9242 128.1417 61.4143 33.5318 174.0182 23 D 5.1086 8.9439 128.8558 53.0162 42.4028 175.0618 24 F 5.0922 9.4191 127.2841 56.3957 40.3466 175.3276 25 W 5.2387 9.1715 120.4408 54.7635 32.3206 173.7062 26 A 4.2652 8.1831 119.1709 49.8683 21.4613 177.3254 27 A 4.1812 8.7970 123.4454 54.7288 18.5698 179.0708 28 W 4.6295 7.6393 110.3711 56.8139 28.9465 177.1774 29 C 4.0879 7.6718 120.3710 57.1897 43.2540 173.5256 30 G 3.7209 8.6506 116.7641 47.8675 0.0000 173.0813 31 P 4.5757 0.0000 0.0000 62.4537 31.7734 178.2594 32 C 4.3751 8.0220 117.7267 60.5484 38.8260 175.8166 33 R 3.7666 7.9248 119.1060 59.4446 29.5265 178.3520 34 M 4.1662 7.5478 115.0145 57.5003 32.5392 176.7118 35 M 4.4743 8.1270 117.0640 56.6974 33.2211 177.1140 36 A 3.9269 7.5167 120.9811 54.9234 18.4606 177.7335 37 P 4.1938 0.0000 0.0000 65.9754 31.2105 178.4946 38 V 3.6053 7.8281 117.4840 65.9391 31.3709 177.9142 39 L 4.0401 8.0501 118.5321 57.6055 41.3027 179.3586 40 E 3.9671 8.2492 118.6268 59.5925 29.4203 179.2733 41 E 3.9619 8.3615 118.5804 59.2495 29.2733 179.1781 42 F 4.0320 8.3458 119.7086 61.2637 39.7033 176.6645 43 A 4.1560 8.4771 120.7076 55.2206 17.9664 179.1489 44 E 3.8357 8.2541 116.6707 59.2183 29.8295 178.2696 45 A 4.2226 7.9017 118.0954 53.1447 19.0176 177.2034 46 H 4.6445 7.5296 113.8141 54.9348 30.3548 175.3106 47 A 3.9683 8.4337 125.2825 55.5051 18.0014 179.6083 48 D 4.5379 7.9892 112.9188 54.6799 39.9852 176.6853 49 K 4.6022 7.8041 117.3829 56.9810 33.9783 176.4475 50 V 4.7801 7.5965 112.1139 60.6451 36.0670 173.4147 51 T 4.5735 8.7809 119.5753 61.8825 71.3138 173.3424 52 V 4.6603 8.4305 126.4528 61.7816 33.3374 174.4750 53 A 5.0860 9.0482 128.2671 50.3232 23.4310 174.5552 54 K 5.0792 9.4613 117.8112 54.5449 36.4692 175.5860 55 L 4.9023 8.9988 125.2245 53.2239 45.3221 175.1513 56 N 3.7248 8.6859 125.7269 52.2406 38.3959 175.7773 57 V 3.7542 8.1408 120.8720 63.7539 31.9647 178.6864 58 D 4.3374 7.9516 119.2767 56.7241 40.6145 177.0755 59 E 4.5645 7.7033 114.6757 56.2368 30.3460 176.1640 60 N 5.1183 7.6126 116.3375 50.0733 39.3769 173.1415 61 P 4.2685 0.0000 0.0000 65.6664 31.8065 178.4050 62 E 3.9575 8.3516 117.8466 59.7917 29.1424 179.4401 63 T 3.8509 8.3910 115.6049 66.8004 68.5551 176.9722 64 T 3.8495 7.6149 117.0944 66.5984 68.3925 176.5537 65 S 4.0866 8.6344 115.3747 61.4792 62.2835 175.6037 66 Q 3.7585 7.9021 121.1728 59.1609 28.6247 177.8880 67 F 4.6817 7.7354 115.6942 56.0673 39.4547 175.7678 68 G 3.9942 8.1107 106.3858 46.4064 0.0000 174.5688 69 I 3.8892 7.4246 119.2918 60.9861 37.7965 176.4779 70 M 4.6711 8.4768 119.5432 55.5281 33.4105 175.7652 71 S 4.7939 7.9429 113.8534 56.9711 64.5394 173.3576 72 I 4.5125 8.1790 123.9042 58.8626 39.8326 173.7107 73 P 4.9473 0.0000 0.0000 62.6476 33.6071 174.9887 74 T 5.0670 8.5289 116.5917 61.9053 72.4783 172.8957 75 L 5.3404 9.4088 126.5037 53.0899 44.5164 175.5175 76 I 4.9153 8.9149 123.9802 59.3861 40.8355 174.0858 77 L 4.8241 8.8041 130.0515 54.0887 43.5940 174.9928 78 F 5.0717 9.3543 125.8001 55.8542 41.3559 174.9728 79 K 4.5932 9.0409 123.7558 56.0737 35.9268 176.2495 80 G 3.8378 9.2844 114.9983 46.1365 0.0000 174.1936 81 G 4.0648 8.5944 104.9634 44.9382 0.0000 173.6915 82 E 5.0122 7.9294 118.2799 53.4369 33.6909 173.1968 83 P 4.0603 0.0000 0.0000 63.1021 31.6318 176.7662 84 V 4.3300 8.0716 115.7105 61.5318 33.8409 175.8194 85 K 4.4671 7.3880 119.2088 55.4323 35.4030 173.7683 86 Q 5.0119 8.5450 125.8701 54.3998 32.4142 173.9073 87 L 4.9976 9.3095 125.4598 52.8179 45.4493 175.5281 88 I 4.8254 8.3587 115.6994 60.2117 40.6661 176.2105 89 G 3.8994 8.9207 112.4863 44.5703 0.0000 172.4791 90 Y 4.1319 8.4854 119.5534 57.8105 38.9375 175.4728 91 Q 4.1008 7.8352 125.7904 52.7041 30.3336 174.0433 92 P 4.1101 0.0000 0.0000 61.8488 33.5353 176.7823 93 K 3.9617 8.4150 119.0328 60.2123 32.1163 178.2725 94 E 3.9913 8.1378 118.0307 59.5115 29.3818 179.3765 95 Q 3.9534 7.9147 117.6944 58.5991 28.8469 178.2168 96 L 3.6992 8.0583 121.7405 57.9560 42.1955 178.5007 97 E 4.0915 8.3482 119.0478 59.4991 29.3860 178.6819 98 A 4.0243 8.0920 119.5675 55.3829 18.5088 179.3667 99 Q 4.0648 8.2659 115.8748 58.2567 29.1593 177.8128 100 L 4.4401 8.0290 117.9039 54.6095 42.0461 178.1271 101 A 4.0520 7.7691 122.3574 55.1159 18.3224 178.2493 102 D 4.6302 8.0056 112.0232 54.2022 40.1151 177.1462 103 V 4.3493 7.8714 112.0851 61.3480 32.3096 175.8305 104 L 4.8330 7.7760 119.2597 54.3586 42.3347 176.3981 105 Q 4.1101 7.9404 123.2758 56.2824 29.7827 175.0565 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 4.29 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 2 T 7.46 4.55 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 1.17 0.00 0.00 3 M 9.44 3.99 0.00 2.08 1.94 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 2.66 2.59 0.00 4 T 8.49 4.94 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 1.29 0.00 0.00 5 L 8.99 5.12 0.00 1.56 1.75 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 T 9.08 4.90 4.38 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 1.24 0.00 0.00 7 D 9.32 4.46 0.00 2.71 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 8 A 8.27 4.15 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 9 N 7.76 4.97 0.00 3.05 3.06 0.00 0.00 6.67 8.00 0.00 0.00 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 F 8.33 3.85 0.00 3.44 3.20 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 11 Q 8.26 4.00 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 12 Q 8.07 4.08 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 13 A 7.80 3.86 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.21 3.77 1.52 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 1.41 0.65 -0.85 0.00 0.00 15 Q 7.61 4.66 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 16 G 7.62 3.93 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 0.00 0.00 0.00 17 D 8.62 4.40 0.00 2.65 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 18 K 7.57 4.50 0.00 1.63 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 19 P 0.00 4.55 0.00 2.11 2.10 0.00 3.80 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 2.14 2.11 0.00 20 V 8.57 4.77 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 0.86 0.00 0.00 0.98 0.00 0.00 21 L 9.01 4.96 0.00 1.86 1.61 0.89 0.78 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 22 V 8.92 4.57 2.28 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 0.34 0.00 0.00 0.94 0.00 0.00 23 D 8.94 5.11 0.00 2.82 2.55 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 24 F 9.42 5.09 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.17 5.24 0.00 3.38 3.10 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 0.00 0.00 0.00 0.00 26 A 8.18 4.27 0.16 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 0.00 0.00 27 A 8.80 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.64 4.63 0.00 3.52 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 29 C 7.67 4.09 0.00 2.66 3.13 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 30 G 8.65 3.72 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 0.00 0.00 0.00 31 P 0.00 4.58 0.00 2.40 2.27 0.00 3.76 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 2.12 2.13 0.00 32 C 8.02 4.38 0.00 3.00 3.13 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 33 R 7.92 3.77 0.00 1.83 1.95 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 34 M 7.55 4.17 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 35 M 8.13 4.47 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 36 A 7.52 3.93 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 37 P 0.00 4.19 0.00 2.29 2.32 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 38 V 7.83 3.61 2.22 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 1.11 0.00 0.00 1.00 0.00 0.00 39 L 8.05 4.04 0.00 1.85 1.70 0.87 0.64 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 40 E 8.25 3.97 0.00 2.19 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 2.49 2.48 0.00 41 E 8.36 3.96 0.00 2.07 2.03 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 2.35 2.62 0.00 42 F 8.35 4.03 0.00 3.11 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 43 A 8.48 4.16 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 44 E 8.25 3.84 0.00 2.00 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 0.00 2.28 2.30 0.00 45 A 7.90 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.53 4.64 0.00 2.78 3.03 0.00 5.85 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 47 A 8.43 3.97 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 48 D 7.99 4.54 0.00 2.76 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 49 K 7.80 4.60 0.00 1.77 1.92 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.39 7.81 50 V 7.60 4.78 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 0.73 0.00 0.00 1.07 0.00 0.00 51 T 8.78 4.57 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 1.19 0.00 0.00 52 V 8.43 4.66 2.13 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 1.00 0.00 0.00 1.09 0.00 0.00 53 A 9.05 5.09 1.19 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 0.00 0.00 54 K 9.46 5.08 0.00 1.68 1.83 0.00 1.33 0.00 0.00 1.09 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.29 7.81 55 L 9.00 4.90 0.00 1.42 0.98 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.69 3.72 0.00 2.31 2.43 0.00 0.00 7.18 7.71 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 57 V 8.14 3.75 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 0.94 0.00 0.00 0.88 0.00 0.00 58 D 7.95 4.34 0.00 2.58 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 59 E 7.70 4.56 0.00 1.87 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 2.20 2.12 0.00 60 N 7.61 5.12 0.00 2.74 2.89 0.00 0.00 6.71 7.70 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 61 P 0.00 4.27 0.00 2.25 2.30 0.00 3.70 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 2.06 2.05 0.00 62 E 8.35 3.96 0.00 2.33 2.03 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 2.39 2.45 0.00 63 T 8.39 3.85 4.08 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 0.29 0.00 0.00 64 T 7.61 3.85 4.38 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 1.20 0.00 0.00 65 S 8.63 4.09 0.00 3.87 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 66 Q 7.90 3.76 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.08 0.00 0.00 0.00 0.00 0.00 1.57 2.12 0.00 67 F 7.74 4.68 0.00 2.97 2.98 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 68 G 8.11 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 0.00 0.00 0.00 69 I 7.42 3.89 1.82 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.18 0.82 0.00 0.00 70 M 8.48 4.67 0.00 2.06 2.13 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 2.46 2.52 0.00 71 S 7.94 4.79 0.00 3.91 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 72 I 8.18 4.51 1.51 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 1.57 0.59 0.49 0.00 0.00 73 P 0.00 4.95 0.00 2.18 2.23 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 74 T 8.53 5.07 4.28 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 1.19 0.00 0.00 75 L 9.41 5.34 0.00 1.52 1.54 0.81 1.00 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 76 I 8.91 4.92 2.17 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.02 0.09 0.00 0.00 77 L 8.80 4.82 0.00 1.72 1.47 1.03 0.88 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 78 F 9.35 5.07 0.00 3.09 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 79 K 9.04 4.59 0.00 1.84 1.61 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 80 G 9.28 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 0.00 0.00 0.00 81 G 8.59 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 0.00 0.00 0.00 82 E 7.93 5.01 0.00 2.04 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 2.32 2.48 0.00 83 P 0.00 4.06 0.00 1.92 1.64 0.00 3.72 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 2.14 1.42 0.00 84 V 8.07 4.33 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 0.72 0.00 0.00 0.95 0.00 0.00 85 K 7.39 4.47 0.00 1.74 1.53 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.36 7.81 86 Q 8.55 5.01 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.47 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 87 L 9.31 5.00 0.00 1.49 1.44 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.36 4.83 1.90 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 1.28 0.69 0.91 0.00 0.00 89 G 8.92 3.90 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 0.00 0.00 0.00 90 Y 8.49 4.13 0.00 2.87 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 91 Q 7.84 4.10 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.12 0.00 92 P 0.00 4.11 0.00 2.20 2.09 0.00 3.44 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 93 K 8.41 3.96 0.00 1.87 1.88 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.67 7.81 94 E 8.14 3.99 0.00 2.09 1.98 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 2.41 2.48 0.00 95 Q 7.91 3.95 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 96 L 8.06 3.70 0.00 1.65 1.61 0.56 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.35 4.09 0.00 2.27 2.18 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 2.37 2.44 0.00 98 A 8.09 4.02 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 99 Q 8.27 4.06 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 100 L 8.03 4.44 0.00 1.82 1.75 0.55 0.52 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 0.00 101 A 7.77 4.05 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 0.00 102 D 8.01 4.63 0.00 2.78 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 0.00 103 V 7.87 4.35 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 0.72 0.00 0.00 1.00 0.00 0.00 104 L 7.78 4.83 0.00 1.65 1.68 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.94 4.11 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00