NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1398 8.0549 114.0582 61.3351 33.0672 173.9609 3 E 4.6582 8.4911 119.5667 54.4946 32.0162 170.4716 4 V 4.9069 8.7448 115.3600 59.2280 36.7995 174.9524 5 E 4.2649 9.1802 121.0036 59.1623 30.2615 177.3189 6 H 4.7859 7.9347 114.3265 54.1359 33.2724 174.0583 7 W 4.7878 8.2268 118.4131 55.9840 28.3485 175.3797 8 N 5.1039 7.8025 116.0980 53.0827 38.2225 174.2129 9 T 4.6690 7.8077 110.1973 61.7323 71.0469 173.3074 10 L 5.0524 8.6231 121.1055 53.0480 46.6800 175.5025 11 R 4.7824 8.9349 122.4449 54.8020 32.0015 174.4379 12 L 5.0464 9.6509 130.0945 53.6732 44.2932 175.1845 13 R 4.9974 9.2402 125.0394 54.5689 33.6466 174.3698 14 I 4.7430 8.8309 126.1961 60.0053 39.4318 174.4622 15 Y 4.9050 9.4122 127.0587 56.7164 39.5765 174.9673 16 I 4.9918 9.0397 119.9249 59.4644 41.7019 173.5000 17 G 4.3535 9.4109 108.7154 44.6657 0.0000 174.4366 18 E 4.2008 9.3035 126.3353 59.2543 29.6658 177.6604 19 N 4.7355 8.0645 113.0595 53.6348 39.4120 175.2628 20 D 4.5330 8.4683 120.4040 54.4905 41.3916 175.7112 21 K 5.1760 8.4399 121.3634 54.6252 35.9648 175.6930 22 W 4.8904 9.4421 130.6769 57.2231 32.9389 174.4011 23 E 3.6601 9.5460 124.3042 57.4176 26.5818 175.6319 24 G 3.9914 8.4354 107.2430 45.2203 0.0000 174.3462 25 R 4.5674 7.8785 118.5210 53.4198 32.8350 173.5479 26 P 4.7093 0.0000 0.0000 62.3559 32.2555 177.2634 27 L 4.0168 8.9738 125.8372 58.6441 41.9092 178.8550 28 Y 4.2160 7.9113 117.0512 59.8836 38.3628 177.8828 29 K 3.8330 6.9622 120.0652 58.8684 32.1063 179.5825 30 V 3.6142 7.7327 119.6169 64.7278 31.3859 178.5266 31 I 3.5706 7.6056 120.6245 64.1130 37.0403 178.4427 32 V 3.6153 7.8867 118.9807 65.9256 31.0037 177.5443 33 E 3.8819 7.8111 117.7513 59.4435 29.7650 178.3784 34 K 3.9146 8.0743 118.2409 59.8636 32.1779 178.8522 35 L 3.9260 8.3968 119.1146 58.3242 41.4156 179.8087 36 R 4.0104 7.8530 117.2364 58.6276 30.1444 177.5310 37 E 4.3133 8.2564 117.0410 57.5997 29.9663 177.3240 38 M 4.3740 7.9311 116.8339 54.5351 32.5733 175.9338 39 G 3.8278 8.0335 106.7048 46.5013 0.0000 174.2239 40 I 3.9499 7.5967 119.4425 60.3720 37.8975 176.2682 41 A 4.0388 10.0823 128.4171 53.8588 18.1447 178.0266 42 G 3.8827 7.4013 99.6000 46.2687 0.0000 171.2213 43 A 4.8807 7.9818 118.6166 51.2708 22.2927 176.2159 44 T 4.4618 8.9874 116.1880 61.7811 72.5581 173.1669 45 V 4.7874 8.2917 126.0055 61.3779 33.4747 174.2403 46 Y 4.8383 9.1838 124.7477 56.1105 41.9264 174.6913 47 R 4.7713 8.4744 121.0775 54.4807 32.5032 175.3087 48 G 4.0392 8.7357 114.7794 46.0830 0.0000 172.5806 49 I 4.3527 8.2540 111.7556 61.9807 38.7158 175.1790 50 Y 4.7777 7.5603 118.9297 56.9687 41.2756 173.0852 51 G 3.8364 6.8745 111.6129 44.8182 0.0000 172.7894 52 F 4.8399 7.8121 114.7815 55.2807 40.6195 174.5007 53 G 3.7448 8.5868 110.7568 45.8604 0.0000 172.1877 *68 T 4.1263 7.6074 114.5485 62.8660 69.6272 172.3974 69 D 4.5574 8.5175 122.3495 54.4818 41.9373 175.1225 70 L 4.7605 8.0349 125.5489 52.4132 43.8562 174.3923 71 P 4.7863 0.0000 0.0000 63.0737 32.8486 175.0713 72 I 4.9095 8.6870 123.1743 59.5039 40.6894 174.3613 73 I 4.7004 8.7001 127.7787 59.4703 39.9966 174.5502 74 V 4.6029 8.6082 128.2376 61.3598 33.2641 174.0697 75 E 5.2147 9.4078 128.9867 54.4655 32.3122 174.6879 76 V 4.6570 9.0301 125.7783 61.2057 35.1845 173.8013 77 V 4.7551 8.0332 127.3855 61.5408 33.7014 173.8303 78 D 4.4082 8.4319 125.9364 53.7383 45.9798 174.7791 79 R 4.1205 8.2543 118.6847 56.2143 30.3920 178.3270 80 G 3.7644 7.8572 109.3359 47.2653 0.0000 174.9447 81 H 4.5862 7.6740 117.3126 57.2980 29.0933 176.5862 82 N 4.6773 8.3661 118.7345 55.2842 38.9637 177.1091 83 I 3.6699 7.6618 120.7281 64.7612 37.2198 178.1497 84 E 4.0046 7.9972 118.9526 59.1080 29.0086 179.2510 85 K 3.9241 7.5001 120.2667 59.4908 32.3561 179.0886 86 V 3.6458 8.1781 119.0444 65.6686 31.3467 178.1059 87 V 3.6439 8.0413 118.4747 66.1032 31.1592 177.3995 88 N 4.2691 7.8043 114.5710 56.7416 38.6393 177.5836 89 V 3.7780 7.2738 109.4325 63.1013 31.9516 177.4001 90 I 4.2125 7.1531 117.4372 61.3573 38.7710 177.4158 91 K 3.8373 8.1322 119.5798 59.2115 31.9399 176.8376 92 P 4.4307 0.0000 0.0000 66.0222 31.6509 178.1649 93 M 3.4465 7.6625 116.9255 56.5020 32.9245 176.9916 94 I 4.2048 6.9577 120.5956 59.1565 35.8379 175.2161 95 K 4.0828 8.2005 123.1302 59.2090 32.5370 177.4432 96 D 4.6612 7.0743 115.7833 52.0076 44.8726 175.3266 97 G 4.2190 7.8837 114.5807 46.0872 0.0000 171.6415 98 M 4.6287 8.0939 121.4771 54.5871 36.1459 173.5884 99 I 5.2313 8.3770 124.8659 59.9969 40.6797 174.8279 100 T 4.9564 9.0705 121.9745 62.1686 73.1942 173.1757 101 V 5.5157 8.3816 121.2164 61.4340 34.2305 172.9551 102 E 4.7996 8.4850 118.9090 54.6616 32.5019 172.7690 103 P 4.8935 0.0000 0.0000 63.7134 32.1858 175.4500 104 T 4.5103 8.1085 114.2589 61.5121 70.8901 172.4130 105 I 4.6259 8.3784 127.1371 59.6447 39.3785 175.2873 106 V 4.0875 8.5169 127.8239 61.9858 31.7393 176.5146 107 L 4.2193 8.7161 128.8147 56.5470 42.2573 176.3078 108 W 4.7254 7.5266 125.2816 57.0286 33.3062 173.4904 109 V 4.0900 7.1103 117.4488 61.9991 33.8497 173.6171 110 G 2.4963 6.1854 107.4240 45.3146 0.0000 171.7841 111 T 4.2081 7.1077 115.1627 62.8362 69.8304 174.3628 112 Q 4.4775 7.4778 118.7240 53.9839 31.8682 174.1066 113 E 4.7348 8.7036 122.7480 55.4775 30.9526 176.1738 114 E 4.4633 8.6732 121.6378 57.2283 30.4973 175.4715 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 V 8.05 4.14 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 0.89 0.00 0.00 0.95 0.00 0.00 3 E 8.49 4.66 0.00 2.09 1.93 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 2.25 2.45 0.00 4 V 8.74 4.91 2.35 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 0.95 0.00 0.00 1.14 0.00 0.00 5 E 9.18 4.26 0.00 2.01 1.82 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 0.00 2.32 2.37 0.00 6 H 7.93 4.79 0.00 3.07 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 W 8.23 4.79 0.00 3.37 3.12 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 8 N 7.80 5.10 0.00 2.52 2.36 0.00 0.00 5.93 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 9 T 7.81 4.67 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 1.11 0.00 0.00 10 L 8.62 5.05 0.00 1.55 1.52 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.93 4.78 0.00 1.87 2.04 0.00 3.20 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 12 L 9.65 5.05 0.00 1.63 1.65 1.00 0.71 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 13 R 9.24 5.00 0.00 1.88 1.85 0.00 3.20 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 14 I 8.83 4.74 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 0.78 0.92 0.00 0.00 15 Y 9.41 4.90 0.00 2.91 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 16 I 9.04 4.99 2.08 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 1.29 0.96 0.95 0.00 0.00 17 G 9.41 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 0.00 0.00 0.00 0.00 18 E 9.30 4.20 0.00 2.02 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 2.42 2.35 0.00 19 N 8.06 4.74 0.00 2.87 2.89 0.00 0.00 7.06 9.28 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 20 D 8.47 4.53 0.00 2.85 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 21 K 8.44 5.18 0.00 1.73 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.42 7.81 22 W 9.44 4.89 0.00 3.29 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 23 E 9.55 3.66 0.00 1.96 1.84 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 1.80 1.47 0.00 24 G 8.44 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 25 R 7.88 4.57 0.00 1.90 1.82 0.00 3.14 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 26 P 0.00 4.71 0.00 1.61 1.76 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 27 L 8.97 4.02 0.00 1.90 1.79 0.84 0.68 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 28 Y 7.91 4.22 0.00 3.25 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 29 K 6.96 3.83 0.00 1.65 1.71 0.00 1.40 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 0.25 7.81 30 V 7.73 3.61 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 0.82 0.00 0.00 0.96 0.00 0.00 31 I 7.61 3.57 2.01 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 1.28 0.70 0.88 0.00 0.00 32 V 7.89 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 1.00 0.00 0.00 1.06 0.00 0.00 33 E 7.81 3.88 0.00 2.23 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 2.32 2.34 0.00 34 K 8.07 3.91 0.00 1.98 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.56 7.81 35 L 8.40 3.93 0.00 1.79 1.73 0.91 0.73 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 36 R 7.85 4.01 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 37 E 8.26 4.31 0.00 2.03 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 2.55 0.00 38 M 7.93 4.37 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 39 G 8.03 3.83 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 0.00 0.00 0.00 40 I 7.60 3.95 2.01 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 1.21 0.43 1.00 0.00 0.00 41 A 10.08 4.04 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.40 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 43 A 7.98 4.88 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 44 T 8.99 4.46 4.18 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 0.68 0.00 0.00 45 V 8.29 4.79 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 0.61 0.00 0.00 0.95 0.00 0.00 46 Y 9.18 4.84 0.00 2.72 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 47 R 8.47 4.77 0.00 1.66 1.75 0.00 3.21 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 48 G 8.74 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 49 I 8.25 4.35 1.94 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 1.37 0.82 0.95 0.00 0.00 50 Y 7.56 4.78 0.00 2.91 2.89 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 51 G 6.87 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 52 F 7.81 4.84 0.00 3.02 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 53 G 8.59 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 *68 T 7.61 4.13 4.33 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 1.30 0.00 0.00 69 D 8.52 4.56 0.00 2.72 2.59 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 70 L 8.03 4.76 0.00 1.96 1.55 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.79 0.00 2.08 2.14 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 72 I 8.69 4.91 1.80 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.98 0.56 0.00 0.00 73 I 8.70 4.70 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.21 0.36 0.00 0.00 74 V 8.61 4.60 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 0.98 0.00 0.00 0.97 0.00 0.00 75 E 9.41 5.21 0.00 2.13 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 2.25 2.25 0.00 76 V 9.03 4.66 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 0.87 0.00 0.00 0.92 0.00 0.00 77 V 8.03 4.76 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 0.85 0.00 0.00 0.95 0.00 0.00 78 D 8.43 4.41 0.00 2.70 2.42 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 79 R 8.25 4.12 0.00 1.83 1.75 0.00 3.12 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 80 G 7.86 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 81 H 7.67 4.59 0.00 3.15 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.37 4.68 0.00 2.84 2.81 0.00 0.00 6.81 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 83 I 7.66 3.67 1.96 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 1.61 0.51 0.89 0.00 0.00 84 E 8.00 4.00 0.00 2.16 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 85 K 7.50 3.92 0.00 2.09 2.03 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 86 V 8.18 3.65 2.24 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 0.91 0.00 0.00 0.94 0.00 0.00 87 V 8.04 3.64 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 1.05 0.00 0.00 0.96 0.00 0.00 88 N 7.80 4.27 0.00 2.87 2.87 0.00 0.00 7.16 7.69 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 89 V 7.27 3.78 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 0.78 0.00 0.00 0.89 0.00 0.00 90 I 7.15 4.21 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.80 0.00 0.00 91 K 8.13 3.84 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 92 P 0.00 4.43 0.00 2.26 2.19 0.00 3.74 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 1.85 2.02 0.00 93 M 7.66 3.45 0.00 0.95 1.77 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.11 0.00 94 I 6.96 4.20 1.84 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 1.25 0.60 0.92 0.00 0.00 95 K 8.20 4.08 0.00 1.81 1.95 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.61 7.81 96 D 7.07 4.66 0.00 2.62 2.52 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 97 G 7.88 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 0.00 0.00 0.00 0.00 98 M 8.09 4.63 0.00 1.88 1.71 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 99 I 8.38 5.23 1.88 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 1.37 0.81 0.93 0.00 0.00 100 T 9.07 4.96 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 1.26 0.00 0.00 101 V 8.38 5.52 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 0.51 0.00 0.00 0.95 0.00 0.00 102 E 8.49 4.80 0.00 2.00 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 2.27 2.27 0.00 103 P 0.00 4.89 0.00 1.99 2.07 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 104 T 8.11 4.51 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 1.24 0.00 0.00 105 I 8.38 4.63 1.94 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 1.36 0.83 1.06 0.00 0.00 106 V 8.52 4.09 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 1.08 0.00 0.00 0.98 0.00 0.00 107 L 8.72 4.22 0.00 1.85 1.78 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 W 7.53 4.73 0.00 3.13 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 0.00 109 V 7.11 4.09 1.82 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 0.68 0.00 0.00 0.86 0.00 0.00 110 G 6.19 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.11 4.21 4.01 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 1.04 0.00 0.00 112 Q 7.48 4.48 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 113 E 8.70 4.73 0.00 2.03 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 2.55 2.46 0.00 114 E 8.67 4.46 0.00 1.95 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 2.20 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.