NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2137 8.1733 120.0673 56.3414 33.9079 174.5716 9 S 5.0857 8.1822 119.1221 56.5232 66.8455 173.3804 10 F 5.4874 9.4742 120.0156 54.2219 40.1611 174.0473 11 P 4.3861 0.0000 0.0000 65.1580 32.2658 178.9551 12 E 3.9563 8.3256 117.6316 59.1120 29.6970 179.1460 13 V 3.4097 7.5777 118.3776 64.6414 31.9101 176.2471 14 V 3.7305 7.2295 119.6472 64.7163 31.4690 176.1856 15 G 3.9716 9.1227 115.7813 45.1712 0.0000 173.4691 16 K 4.4134 7.8557 119.5576 55.0698 33.8339 176.3852 17 T 4.6525 8.2825 112.1964 61.1795 70.8778 175.9072 18 V 3.2725 8.5114 120.8970 66.2062 31.4537 177.8073 19 D 4.1487 7.7685 118.0359 57.2431 40.6073 178.5047 20 Q 3.9868 8.0963 118.3925 59.0461 28.6534 178.8965 21 A 4.1638 8.0672 121.7284 54.9513 18.4220 179.6908 22 R 4.1021 7.8205 117.3887 59.8592 30.1836 178.6881 23 E 4.0288 8.1230 118.0452 59.3704 29.2767 178.5777 24 Y 4.0038 8.2848 119.8409 60.9959 38.7938 178.4871 25 F 4.2327 8.8405 118.8158 60.5944 38.7919 177.9130 26 T 3.9462 7.9962 114.8721 66.5836 68.3167 176.3774 27 L 4.0578 7.7158 119.6751 57.6621 41.8635 178.2466 28 H 4.6222 7.2906 114.3642 55.8560 31.5674 173.7148 29 Y 5.3017 8.0944 118.4450 56.9454 38.5673 175.1601 30 P 4.4185 0.0000 0.0000 65.5797 32.0009 178.1230 31 Q 4.0277 8.0699 116.2888 58.7030 28.8676 176.0095 32 Y 4.5905 7.5182 115.4954 57.4031 39.2719 175.0141 33 D 4.6388 9.4788 123.4309 53.2075 42.5008 175.0525 34 V 4.5802 7.9856 126.1464 61.2300 33.4371 174.3196 35 Y 4.6729 8.5877 124.4430 56.1356 41.7222 174.3002 36 F 5.3289 8.9743 122.0924 55.9122 40.8137 175.1180 37 L 5.0867 9.3604 123.5160 52.0306 45.8452 174.4724 38 P 3.8388 0.0000 0.0000 61.9893 32.4547 175.9679 39 E 3.9792 8.5184 122.5691 57.7850 30.0319 177.4330 40 G 3.8794 8.6415 109.5554 45.2864 0.0000 173.7150 41 S 4.4059 7.2237 114.9164 57.2618 63.6002 172.4458 42 P 4.5909 0.0000 0.0000 62.6594 32.1783 175.5019 43 V 4.5432 7.7001 111.6580 59.9052 35.8015 174.9934 44 T 4.2427 8.1494 111.1232 61.7046 69.5141 174.2576 45 L 4.5700 8.1100 121.3922 54.8203 42.2725 176.6447 46 D 4.6886 7.7970 117.2563 52.1178 41.1477 175.1609 47 L 4.6293 8.0960 120.5018 53.2149 44.4456 175.6836 48 R 4.5662 8.1933 124.0697 54.7740 33.1403 175.4656 49 Y 4.9659 8.6809 119.0219 59.1753 38.4477 175.1623 50 N 5.0900 8.2330 118.3055 53.2738 40.4560 173.3914 51 R 5.2555 8.0569 118.2326 54.9129 33.5023 175.1374 52 V 4.4643 8.8110 124.1455 61.5193 34.7303 173.8198 53 R 4.5626 8.4932 127.4196 54.5931 31.6618 175.8881 54 V 3.9791 8.6068 125.7799 61.1765 33.1259 174.3060 55 F 5.9866 8.9678 127.3241 55.7316 40.8262 174.6706 56 Y 5.2124 8.3262 121.1803 54.9221 41.6284 173.8717 57 N 4.8955 9.3299 118.7471 52.1882 38.9915 174.0149 58 P 5.0666 0.0000 0.0000 65.4324 31.5621 178.4401 59 G 3.8092 8.4028 103.6929 46.9642 0.0000 175.6842 60 T 4.2124 7.9119 116.5656 65.5682 69.4329 175.7730 61 N 4.5483 9.6531 116.0972 53.2736 36.8551 173.6054 62 V 4.7982 7.3189 117.8883 60.8355 34.9787 174.7251 63 V 4.2824 8.6963 126.3458 63.0858 32.0525 175.6357 64 N 5.0443 8.5995 125.9310 53.6813 39.9389 173.9255 65 H 4.9426 7.9698 113.5639 54.2864 32.7275 172.9735 66 V 3.9342 8.5129 123.7155 62.5334 31.8813 173.9932 67 P 4.7893 0.0000 0.0000 63.0629 32.9613 174.6850 68 H 5.7019 8.2865 114.9564 53.8641 31.8387 173.0859 69 V 4.0184 8.7628 120.4989 61.9202 32.2008 176.3608 70 G 3.7644 8.5873 115.7923 46.3304 0.0000 172.0410 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 8 K 8.17 4.21 0.00 1.59 1.39 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.36 7.81 9 S 8.18 5.09 0.00 3.82 3.70 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 10 F 9.47 5.49 0.00 3.21 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 11 P 0.00 4.39 0.00 2.19 2.13 0.00 3.60 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 2.11 2.13 0.00 12 E 8.33 3.96 0.00 1.83 1.90 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 2.50 2.41 0.00 13 V 7.58 3.41 2.34 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 1.08 0.00 0.00 0.51 0.00 0.00 14 V 7.23 3.73 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 0.90 0.00 0.00 1.03 0.00 0.00 15 G 9.12 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 0.00 0.00 0.00 16 K 7.86 4.41 0.00 1.88 1.70 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.33 1.38 7.81 17 T 8.28 4.65 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 1.23 0.00 0.00 18 V 8.51 3.27 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 0.19 0.00 0.00 0.12 0.00 0.00 19 D 7.77 4.15 0.00 2.62 2.60 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 20 Q 8.10 3.99 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 21 A 8.07 4.16 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.10 0.00 1.54 1.98 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 23 E 8.12 4.03 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 2.34 2.31 0.00 24 Y 8.28 4.00 0.00 3.15 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 25 F 8.84 4.23 0.00 3.26 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 26 T 8.00 3.95 4.40 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 1.22 0.00 0.00 27 L 7.72 4.06 0.00 1.69 1.56 0.88 1.06 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 28 H 7.29 4.62 0.00 2.70 2.61 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.09 5.30 0.00 3.63 3.38 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 30 P 0.00 4.42 0.00 2.19 2.21 0.00 3.80 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 2.00 1.96 0.00 31 Q 8.07 4.03 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.99 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 32 Y 7.52 4.59 0.00 2.86 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 33 D 9.48 4.64 0.00 2.82 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 34 V 7.99 4.58 1.78 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 -0.09 0.00 0.00 0.20 0.00 0.00 35 Y 8.59 4.67 0.00 2.74 2.76 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 36 F 8.97 5.33 0.00 2.90 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 37 L 9.36 5.09 0.00 1.12 1.57 0.65 1.19 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 38 P 0.00 3.84 0.00 1.94 1.70 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 39 E 8.52 3.98 0.00 2.02 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 2.38 2.24 0.00 40 G 8.64 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 41 S 7.22 4.41 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 42 P 0.00 4.59 0.00 2.17 2.03 0.00 3.75 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 1.98 1.98 0.00 43 V 7.70 4.54 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 0.91 0.00 0.00 0.96 0.00 0.00 44 T 8.15 4.24 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 45 L 8.11 4.57 0.00 1.63 1.70 0.90 1.02 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 46 D 7.80 4.69 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.10 4.63 0.00 1.47 1.43 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.19 4.57 0.00 1.86 1.79 0.00 3.32 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 49 Y 8.68 4.97 0.00 3.00 2.96 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 50 N 8.23 5.09 0.00 2.85 2.82 0.00 0.00 6.62 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 51 R 8.06 5.26 0.00 1.92 1.82 0.00 2.75 0.00 0.00 2.94 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 52 V 8.81 4.46 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 0.22 0.00 0.00 0.40 0.00 0.00 53 R 8.49 4.56 0.00 1.52 1.28 0.00 3.23 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 54 V 8.61 3.98 1.15 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 1.10 0.00 0.00 0.36 0.00 0.00 55 F 8.97 5.99 0.00 3.09 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 56 Y 8.33 5.21 0.00 3.19 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 57 N 9.33 4.90 0.00 2.85 2.86 0.00 0.00 7.66 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 5.07 0.00 2.09 2.11 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 59 G 8.40 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.91 4.21 4.49 0.00 0.00 0.00 0.00 0.00 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 61 N 9.65 4.55 0.00 2.96 2.94 0.00 0.00 6.56 7.56 0.00 0.00 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 V 7.32 4.80 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 1.13 0.00 0.00 1.00 0.00 0.00 63 V 8.70 4.28 2.19 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 1.09 0.00 0.00 1.18 0.00 0.00 64 N 8.60 5.04 0.00 2.87 2.73 0.00 0.00 7.03 7.77 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 65 H 7.97 4.94 0.00 3.28 3.21 0.00 5.76 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 66 V 8.51 3.93 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 0.90 0.00 0.00 0.99 0.00 0.00 67 P 0.00 4.79 0.00 2.30 2.12 0.00 3.71 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 68 H 8.29 5.70 0.00 3.19 3.47 0.00 5.53 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.76 4.02 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 1.12 0.00 0.00 0.95 0.00 0.00 70 G 8.59 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