NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5244 8.2227 120.5144 54.1314 43.4433 177.2466 6 L 3.4712 7.6069 120.1431 56.7774 42.3082 175.0423 7 E 3.7989 8.1658 120.5638 59.0959 30.0986 177.9546 8 A 4.0632 7.7966 120.7452 55.0327 18.2520 179.5169 9 S 4.2499 7.1972 113.2570 60.8401 63.5476 176.4155 10 F 4.6846 8.2430 122.3073 60.6919 38.7554 177.6896 11 T 3.9512 8.8344 109.8797 64.9182 68.4875 176.5766 12 S 4.2125 8.1537 116.4988 60.5015 62.6254 175.7157 13 R 4.5104 7.8271 119.8131 55.1833 30.8553 175.9001 14 L 4.6759 7.0181 119.0215 52.9029 42.7910 175.1641 15 P 4.1806 0.0000 0.0000 62.7101 32.9641 175.6927 16 P 4.2115 0.0000 0.0000 65.8220 31.1302 178.5956 17 E 3.8655 8.0094 117.4170 59.4145 29.6178 178.8806 18 I 3.6158 7.4645 119.3082 64.1597 37.2294 178.3374 19 V 3.5095 7.7741 118.8989 65.9649 31.3303 177.9908 20 A 3.9306 8.1745 120.2833 55.1997 18.0518 179.5564 21 A 4.0037 8.0950 118.2879 55.0112 18.4322 179.5042 22 L 4.0826 7.8504 117.2522 57.5175 41.8225 178.9986 23 K 4.1047 7.7764 118.6641 57.5894 32.4947 177.3605 24 R 3.9374 7.3368 119.8762 55.6662 30.4985 176.0663 25 K 3.9433 8.5218 126.0272 56.7117 32.7387 176.2158 26 S 4.7619 8.7845 120.8822 57.3441 63.4493 173.2083 27 S 4.9302 8.7562 124.9021 57.7497 64.0376 174.6930 28 R 4.1060 8.6108 116.3388 57.9749 30.6819 176.1309 29 D 4.4218 8.1710 119.4057 53.5232 41.4406 175.2662 30 P 4.4001 0.0000 0.0000 65.4117 31.5947 178.0035 31 N 4.5256 8.2895 114.7897 54.9786 38.3742 176.0722 32 S 4.4417 7.9952 112.3038 59.1531 64.0982 174.5557 33 R 4.2897 7.4802 121.5625 55.3557 32.0006 176.6922 34 F 3.9765 8.9346 123.3986 61.2895 39.2424 175.7399 35 P 4.3478 0.0000 0.0000 66.0453 31.2835 178.8131 36 R 4.2958 8.0350 115.7008 58.5892 30.0713 179.1964 37 K 3.8921 7.8998 118.8852 59.2144 31.9842 178.9565 38 L 3.5747 7.9046 120.8939 58.2579 41.8465 178.5488 39 H 3.9931 8.7067 118.5119 59.6243 29.8484 177.2466 40 M 4.1829 8.4630 120.8479 57.9505 31.6281 178.6591 41 L 3.8996 7.7687 120.7380 57.9539 42.3947 178.5386 42 L 3.7018 7.8968 120.5467 58.4977 41.7214 178.9536 43 T 3.9441 7.9184 114.4254 67.0493 68.7593 175.6805 44 Y 4.1924 8.2241 121.2794 60.5481 38.7748 177.6164 45 L 3.7857 8.5199 120.0405 57.2522 41.4049 179.0405 46 A 4.0345 7.6285 120.0185 54.3797 18.2990 178.6463 47 S 4.6449 7.5474 110.0476 57.5689 65.0767 174.2181 48 N 4.7379 7.6549 122.3728 50.1201 38.8658 172.2248 49 P 4.5120 0.0000 0.0000 64.3759 31.6549 177.5288 50 Q 3.9211 7.9479 117.6348 59.2296 29.2021 177.8136 51 L 3.9793 8.1854 121.3914 58.1286 41.7586 178.3429 52 E 4.0376 8.5715 119.6757 59.7374 29.1845 178.2915 53 E 4.1841 7.9322 117.8689 58.9073 29.6117 178.3535 54 E 4.2002 8.1935 119.1068 59.9317 29.8933 179.7749 55 I 3.4165 7.7413 118.2668 63.5464 38.7061 176.6382 56 G 3.5223 9.6893 109.8939 44.6510 0.0000 170.4534 57 L 4.8780 7.5919 118.6160 55.3170 44.0786 173.2461 58 S 4.7008 8.8888 120.4095 56.4771 66.7878 173.7816 59 W 5.1574 8.8294 122.0678 57.0494 29.1148 176.2392 60 I 4.3879 9.1860 117.0307 61.2270 38.4847 174.9261 61 S 4.6082 7.8099 113.4764 57.5398 65.3956 173.6289 62 D 4.2041 8.7285 119.0954 56.9200 40.4741 177.8883 63 T 4.7927 7.7668 105.7240 60.8279 70.0693 173.2647 64 E 5.5098 8.3971 121.4387 54.9833 34.0056 174.3941 65 F 5.7127 9.2899 116.7712 55.2141 42.1356 173.3539 66 K 5.4837 9.1128 118.2259 55.8862 36.1762 174.6264 67 M 5.0619 9.6022 117.5648 54.8247 35.4456 173.8117 68 K 5.0136 8.3700 119.6702 53.8422 32.9988 177.3230 69 K 3.7907 8.7011 126.1388 59.2455 31.5185 178.6326 70 K 3.7697 8.0422 119.2349 59.9740 31.9752 178.2819 71 N 4.5141 7.9207 115.8214 56.1170 38.4876 177.5583 72 V 3.4752 7.8107 119.5362 65.7617 31.5825 177.9748 73 A 3.9939 8.5793 120.9632 55.1597 18.1029 179.2947 74 L 3.9413 7.5566 116.3857 58.1843 41.5901 180.1440 75 V 3.7025 7.9179 111.8461 64.3268 31.7155 177.4447 76 M 4.1801 7.7497 117.7749 55.1741 32.2787 176.3963 77 G 3.8839 8.3996 107.2552 46.3232 0.0000 173.4698 78 I 4.6746 7.6149 110.9607 57.3584 40.9051 175.8035 79 K 4.1044 8.3798 121.2701 56.1144 33.8776 177.7917 80 L 3.8675 8.4928 123.0332 58.7090 41.8317 178.8968 81 N 4.2189 8.1351 116.1065 57.1536 38.8011 176.4546 82 T 3.8225 7.7081 113.6096 64.3613 67.4237 175.9819 83 L 3.7055 7.6881 122.7237 58.1418 42.0739 178.6163 84 N 4.2250 8.1443 116.3694 56.3056 38.4732 177.4730 85 V 3.5196 7.8419 119.6225 66.1556 31.5900 177.8224 86 N 4.0551 8.1441 116.4577 55.9909 38.1276 177.4201 87 L 3.7064 7.5833 120.3964 57.7323 41.7044 179.1362 88 R 3.9766 8.0803 118.5892 60.0526 29.8224 178.2635 89 D 4.5479 8.5161 117.6824 56.1990 40.8927 177.7021 90 L 4.5547 7.7427 117.6977 53.4707 42.3159 175.8075 91 A 3.7309 7.9001 119.8946 53.3207 16.2128 178.3053 92 F 4.4002 8.5272 118.6995 57.8954 40.8411 175.8842 93 E 4.7399 9.5891 124.1566 54.2515 31.8809 174.6760 94 Q 3.1561 8.5066 128.8946 55.7201 29.3846 175.3630 95 L 4.5401 7.8929 125.2331 54.5107 42.9145 176.1644 96 Q 4.4791 7.1478 118.2606 54.8812 31.7580 173.3191 97 H 4.3667 8.8351 125.9053 55.8598 30.8740 174.1292 98 D 4.6779 8.2134 122.5497 54.5250 42.5076 175.4956 99 K 4.5586 8.8999 124.9195 55.4273 34.6604 176.5588 100 G 4.1595 9.6677 115.2822 46.6751 0.0000 173.5836 101 G 3.8474 8.4303 105.5949 44.9828 0.0000 173.3058 102 W 5.3429 8.0811 120.2542 55.5058 31.3841 175.3146 103 T 5.0812 9.4387 117.5990 60.5633 70.9538 172.3942 104 Q 5.2839 8.2667 123.7577 54.2224 32.7852 174.3840 105 W 5.5822 9.2431 121.0057 55.6670 34.4564 173.6593 106 K 5.1736 8.8567 118.7682 56.6376 36.0811 174.7167 107 R 4.8109 8.4741 119.0745 55.0631 33.4173 174.2255 108 S 4.3026 8.7726 121.5193 59.8497 63.5718 174.4728 109 G 3.0027 8.8842 111.5319 45.2846 0.0000 172.2627 110 F 4.8136 8.0089 122.1771 56.3598 39.7450 174.2258 111 T 4.3572 8.5918 118.1286 59.3410 72.1231 174.8245 112 R 2.6287 6.8460 121.6586 58.6550 29.6016 177.4564 113 N 5.0614 7.0802 112.0472 51.5371 37.8730 174.0700 114 S 4.4728 7.7150 111.4339 58.2418 66.0120 173.6674 115 V 4.3973 8.1044 121.8800 61.3734 32.7067 174.8754 116 F 4.9845 8.7390 126.7985 56.5283 41.4157 178.5218 117 E 3.5911 8.4659 122.0248 58.0594 28.3975 175.0211 118 D 4.4769 8.6514 126.3846 55.6214 41.9787 174.9160 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 5 D 8.22 4.52 0.00 2.68 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 6 L 7.61 3.47 0.00 1.59 1.30 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.17 3.80 0.00 2.06 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 2.38 2.45 0.00 8 A 7.80 4.06 1.27 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 0.00 0.00 0.00 9 S 7.20 4.25 0.00 3.98 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 10 F 8.24 4.68 0.00 3.18 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 11 T 8.83 3.95 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 1.31 0.00 0.00 12 S 8.15 4.21 0.00 4.12 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 0.00 13 R 7.83 4.51 0.00 2.13 2.10 0.00 3.21 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 14 L 7.02 4.68 0.00 1.44 1.65 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.18 0.00 1.93 1.92 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.05 0.00 16 P 0.00 4.21 0.00 2.12 2.10 0.00 3.56 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 2.14 0.00 17 E 8.01 3.87 0.00 1.98 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 2.33 2.37 0.00 18 I 7.46 3.62 1.71 0.00 0.00 0.73 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 0.07 0.76 0.00 0.00 19 V 7.77 3.51 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 0.99 0.00 0.00 0.94 0.00 0.00 20 A 8.17 3.93 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 21 A 8.09 4.00 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 22 L 7.85 4.08 0.00 1.85 1.71 0.87 0.66 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 23 K 7.78 4.10 0.00 1.98 1.91 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.43 7.81 24 R 7.34 3.94 0.00 1.93 1.99 0.00 3.33 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 25 K 8.52 3.94 0.00 1.76 1.71 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.48 7.81 26 S 8.78 4.76 0.00 3.93 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 27 S 8.76 4.93 0.00 3.89 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 28 R 8.61 4.11 0.00 1.82 2.04 0.00 3.27 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 29 D 8.17 4.42 0.00 2.73 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 30 P 0.00 4.40 0.00 2.25 2.13 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 31 N 8.29 4.53 0.00 2.73 2.88 0.00 0.00 6.99 7.65 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 32 S 8.00 4.44 0.00 4.22 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 33 R 7.48 4.29 0.00 2.04 1.99 0.00 3.20 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 34 F 8.93 3.98 0.00 3.07 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 35 P 0.00 4.35 0.00 2.40 2.42 0.00 3.82 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 36 R 8.03 4.30 0.00 1.99 2.01 0.00 3.24 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 37 K 7.90 3.89 0.00 1.74 1.71 0.00 1.87 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.57 7.81 38 L 7.90 3.57 0.00 1.27 1.46 0.14 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.71 3.99 0.00 3.50 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.46 4.18 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.56 0.00 41 L 7.77 3.90 0.00 1.89 1.54 0.79 0.35 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 42 L 7.90 3.70 0.00 1.73 1.53 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.92 3.94 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 1.26 0.00 0.00 44 Y 8.22 4.19 0.00 3.03 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 45 L 8.52 3.79 0.00 1.65 1.65 0.90 0.89 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 46 A 7.63 4.03 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.55 4.64 0.00 3.93 3.86 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 N 7.65 4.74 0.00 2.12 2.38 0.00 0.00 7.07 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.51 0.00 2.19 2.09 0.00 3.88 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 2.10 1.99 0.00 50 Q 7.95 3.92 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 51 L 8.19 3.98 0.00 2.05 1.68 1.08 0.99 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 52 E 8.57 4.04 0.00 2.23 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 2.58 0.00 53 E 7.93 4.18 0.00 2.35 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 2.41 2.58 0.00 54 E 8.19 4.20 0.00 2.03 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 0.00 2.61 2.63 0.00 55 I 7.74 3.42 1.63 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.11 0.55 0.00 0.00 56 G 9.69 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.59 4.88 0.00 1.50 1.47 0.88 0.74 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 58 S 8.89 4.70 0.00 4.00 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 59 W 8.83 5.16 0.00 3.23 3.39 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 60 I 9.19 4.39 1.92 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 1.65 0.73 0.97 0.00 0.00 61 S 7.81 4.61 0.00 3.99 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 62 D 8.73 4.20 0.00 2.65 2.61 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 63 T 7.77 4.79 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 1.19 0.00 0.00 64 E 8.40 5.51 0.00 2.06 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 2.42 2.40 0.00 65 F 9.29 5.71 0.00 2.87 2.48 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 0.00 0.00 0.00 0.00 66 K 9.11 5.48 0.00 2.23 2.02 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.61 7.81 67 M 9.60 5.06 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 68 K 8.37 5.01 0.00 1.36 1.40 0.00 1.14 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.30 0.21 7.81 69 K 8.70 3.79 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.59 7.81 70 K 8.04 3.77 0.00 1.77 1.76 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 71 N 7.92 4.51 0.00 2.87 2.56 0.00 0.00 6.72 7.68 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 72 V 7.81 3.48 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 0.90 0.00 0.00 0.81 0.00 0.00 73 A 8.58 3.99 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 74 L 7.56 3.94 0.00 2.11 1.84 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.92 3.70 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 0.62 0.00 0.00 0.89 0.00 0.00 76 M 7.75 4.18 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 77 G 8.40 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.61 4.67 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.92 0.00 0.00 79 K 8.38 4.10 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.43 7.81 80 L 8.49 3.87 0.00 1.69 1.67 0.91 0.40 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 81 N 8.14 4.22 0.00 2.77 2.78 0.00 0.00 6.79 7.22 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 82 T 7.71 3.82 4.19 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 1.20 0.00 0.00 83 L 7.69 3.71 0.00 1.75 1.63 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.14 4.22 0.00 2.87 2.86 0.00 0.00 6.72 7.19 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 85 V 7.84 3.52 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 1.01 0.00 0.00 0.89 0.00 0.00 86 N 8.14 4.06 0.00 1.89 1.42 0.00 0.00 7.07 6.30 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 87 L 7.58 3.71 0.00 1.63 1.36 -0.05 -0.12 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 R 8.08 3.98 0.00 1.97 2.25 0.00 3.16 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 89 D 8.52 4.55 0.00 2.62 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 90 L 7.74 4.55 0.00 2.08 1.98 1.15 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.90 3.73 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 92 F 8.53 4.40 0.00 3.17 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 93 E 9.59 4.74 0.00 2.01 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 2.15 2.19 0.00 94 Q 8.51 3.16 0.00 1.01 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.63 0.00 0.00 0.00 0.00 0.00 1.89 1.17 0.00 95 L 7.89 4.54 0.00 1.37 1.56 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.15 4.48 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 97 H 8.84 4.37 0.00 3.12 3.18 0.00 5.98 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.21 4.68 0.00 2.71 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 0.00 0.00 0.00 0.00 99 K 8.90 4.56 0.00 1.91 1.73 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.77 7.81 100 G 9.67 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 0.00 0.00 0.00 101 G 8.43 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 0.00 0.00 0.00 102 W 8.08 5.34 0.00 3.51 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 0.00 103 T 9.44 5.08 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 104 Q 8.27 5.28 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.49 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 105 W 9.24 5.58 0.00 1.78 2.79 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 0.00 0.00 0.00 0.00 106 K 8.86 5.17 0.00 2.19 1.95 0.00 1.39 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.46 7.81 107 R 8.47 4.81 0.00 1.14 1.40 0.00 2.21 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.00 108 S 8.77 4.30 0.00 4.05 3.89 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 0.00 0.00 0.00 109 G 8.88 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 0.00 0.00 0.00 110 F 8.01 4.81 0.00 3.02 3.27 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 0.00 111 T 8.59 4.36 4.09 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 1.06 0.00 0.00 112 R 6.85 2.63 0.00 0.91 1.57 0.00 3.07 0.00 0.00 2.75 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 113 N 7.08 5.06 0.00 2.80 2.74 0.00 0.00 6.89 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.71 4.47 0.00 4.10 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 0.00 115 V 8.10 4.40 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 1.06 0.00 0.00 0.60 0.00 0.00 116 F 8.74 4.98 0.00 3.10 2.88 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 0.00 0.00 0.00 117 E 8.47 3.59 0.00 2.17 1.47 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 0.00 2.30 2.45 0.00 118 D 8.65 4.48 0.00 2.66 2.54 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