NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 T 4.3267 8.1593 117.3752 63.8126 69.9555 174.2434 80 S 4.5128 8.8134 126.6765 57.8944 63.0585 173.8818 81 L 3.9666 7.9944 124.8953 58.1870 42.6306 179.8704 82 L 3.8106 7.8210 120.1155 58.2964 42.2847 178.5473 83 N 4.4622 8.0483 115.6909 55.3327 37.9609 176.4567 84 E 4.3628 7.9940 117.8621 57.6347 30.3494 178.4365 85 R 3.5647 7.4077 119.5028 59.0007 30.1560 178.5479 86 L 4.0591 7.7908 118.5718 58.0159 41.3539 179.6613 87 Q 4.6000 7.4761 117.0777 58.4451 28.6454 177.6447 88 H 4.3937 7.3342 118.0625 58.2061 30.0529 175.7656 89 Y 4.8543 7.5767 116.3683 57.0949 38.0204 175.2337 90 T 3.6081 7.9773 114.7671 65.2015 66.1403 172.4197 91 L 4.1151 8.4949 117.9393 54.2722 42.6976 177.8695 92 D 4.4907 7.8402 120.7789 52.9460 37.8775 174.8815 93 Y 3.7220 7.4229 124.2215 56.9437 39.2013 175.7646 94 V 3.4499 7.2855 122.4039 63.0373 31.5626 176.8786 95 S 4.7979 8.6928 122.5587 59.9490 63.0265 173.9271 96 D 4.7213 7.7085 121.6949 52.5618 42.1905 176.5974 97 R 3.6191 8.9370 126.4437 59.8257 29.8679 178.1106 98 A 3.8911 7.9256 119.8394 55.4479 18.4592 178.8758 99 Q 4.0083 7.6994 116.8029 57.8910 29.2749 177.4729 100 H 4.1097 7.8264 119.1801 59.6919 29.7626 176.4335 101 M 4.1470 8.0911 117.9493 56.4846 32.0114 177.9812 102 K 4.3672 7.3858 119.4477 58.8199 32.7804 178.3770 103 N 4.4368 8.3171 117.1400 56.6105 38.4822 177.2687 104 I 4.0892 8.0392 121.1736 62.6863 37.6184 176.4284 105 Y 5.3561 7.3339 114.5319 56.8771 38.3360 174.6189 106 D 4.7461 8.3082 121.8701 51.8131 41.6118 175.1924 107 P 2.0000 0.0000 0.0000 64.6854 31.3596 177.5285 108 S 4.3520 7.6172 109.9802 58.1305 63.1192 173.7094 109 S 4.4796 7.5286 116.2359 57.2116 63.3748 173.9814 110 R 3.8247 7.8716 122.6468 57.6077 30.1082 176.5316 111 W 5.0314 7.5073 118.1506 55.5073 29.8751 175.4318 112 F 4.8190 8.4727 120.1618 59.1279 39.5336 174.2166 113 S 4.4107 9.0464 121.8157 59.3020 65.8593 174.6643 114 R 4.5849 7.2575 116.8312 54.3856 33.8017 175.7350 115 S 4.8029 8.6345 114.1190 58.9237 64.1610 174.4407 116 V 4.3625 7.6060 120.0519 60.5928 33.8498 174.4707 117 R 3.6404 8.2887 127.3108 54.7367 29.6924 174.2035 118 P 4.3743 0.0000 0.0000 62.8613 31.7982 177.3516 119 E 4.1586 8.8993 122.5976 58.4194 29.6606 176.6810 120 F 5.0894 7.4647 117.2448 55.5821 39.8189 171.8754 121 P 4.5520 0.0000 0.0000 60.8276 30.2779 177.2527 122 I 3.1546 7.8243 128.0754 65.0359 37.2636 178.4118 123 E 3.9230 8.0786 118.7077 58.7512 29.4424 178.7126 124 E 3.7583 7.8060 117.6361 58.4082 29.7213 177.7785 125 F 4.3110 8.1492 116.0799 58.4410 39.1222 176.0777 126 L 3.9363 7.2805 122.0514 54.6057 41.6982 175.6945 127 P 4.7444 0.0000 0.0000 62.9879 31.3492 174.6019 128 Y 4.9013 6.7751 115.3123 55.4541 41.1964 174.2497 129 K 4.2079 8.5667 119.2590 55.6710 32.7875 177.5704 130 T 4.1616 8.1600 120.6969 62.7711 69.1854 173.5604 131 E 4.2404 8.3139 120.7052 55.8864 30.4376 177.4566 132 S 4.2707 8.5524 116.0079 58.6554 64.1819 175.4462 133 H 4.3032 8.9268 121.5725 58.7260 28.0742 177.8806 134 E 3.9446 7.6411 121.1016 59.5085 29.1341 178.6853 135 D 4.4205 7.9288 118.3930 57.3675 40.8919 178.6460 136 Q 4.0657 8.4086 118.6153 58.9559 28.7079 178.8573 137 A 4.0539 7.7388 120.5654 55.1871 18.6092 179.7005 138 K 3.9186 8.2388 117.0259 59.6046 32.0549 178.8365 139 Y 4.2134 7.8207 119.3954 60.4844 39.0448 177.1018 140 L 3.9325 8.1192 121.0966 58.0433 41.8868 178.7198 141 C 4.0551 7.8926 118.2353 62.9078 31.5303 175.1907 142 H 4.0439 7.6656 116.2321 58.3010 28.1218 178.1538 143 V 3.4055 7.5606 120.4309 65.8898 31.4716 177.8484 144 L 3.8351 7.6959 118.6737 57.8316 41.3835 179.8981 145 V 3.7279 8.0915 118.2962 66.2786 31.5161 177.9404 146 N 4.4636 7.9977 116.1185 55.8993 38.2504 177.2732 147 L 3.9361 8.4613 122.5940 58.0388 42.0010 178.3644 148 Y 4.0609 8.0984 119.5585 60.7033 38.2863 178.0044 149 I 3.4323 7.8287 120.4304 64.2484 36.7941 178.0576 150 A 3.9650 8.0100 121.4606 55.5533 18.0376 179.8834 151 I 3.8026 7.7995 116.7095 63.4055 37.2375 177.7398 152 S 4.4493 7.3184 113.0050 58.5123 63.3845 175.1493 153 S 4.3819 7.5042 116.8771 58.5556 64.0322 173.9374 154 L 4.1005 7.4210 124.7297 54.6479 42.0497 173.6532 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 79 T 8.16 4.33 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 1.21 0.00 0.00 80 S 8.81 4.51 0.00 4.05 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 81 L 7.99 3.97 0.00 1.76 1.70 0.88 0.50 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 82 L 7.82 3.81 0.00 1.75 1.64 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.05 4.46 0.00 2.93 2.84 0.00 0.00 6.78 6.95 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 84 E 7.99 4.36 0.00 2.14 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 0.00 2.41 2.31 0.00 85 R 7.41 3.56 0.00 1.97 1.86 0.00 3.07 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 86 L 7.79 4.06 0.00 1.85 1.67 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.48 4.60 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.67 2.22 0.00 88 H 7.33 4.39 0.00 2.76 3.00 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.58 4.85 0.00 2.99 2.85 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 90 T 7.98 3.61 4.36 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 1.28 0.00 0.00 91 L 8.49 4.12 0.00 1.48 1.32 0.94 1.14 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 92 D 7.84 4.49 0.00 2.92 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 93 Y 7.42 3.72 0.00 2.72 2.41 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 0.00 94 V 7.29 3.45 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 1.04 0.00 0.00 0.61 0.00 0.00 95 S 8.69 4.80 0.00 4.00 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 0.00 96 D 7.71 4.72 0.00 2.71 2.56 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 0.00 0.00 0.00 0.00 97 R 8.94 3.62 0.00 1.86 1.86 0.00 3.23 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 98 A 7.93 3.89 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 99 Q 7.70 4.01 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 100 H 7.83 4.11 0.00 3.29 3.15 0.00 5.83 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 0.00 101 M 8.09 4.15 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 102 K 7.39 4.37 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.64 7.81 103 N 8.32 4.44 0.00 3.10 3.13 0.00 0.00 6.70 6.82 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 0.00 104 I 8.04 4.09 1.57 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.37 -0.13 0.00 0.00 105 Y 7.33 5.36 0.00 2.98 2.95 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 0.00 106 D 8.31 4.75 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 2.00 0.00 1.73 1.47 0.00 3.54 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 1.85 1.75 0.00 108 S 7.62 4.35 0.00 3.89 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 0.00 109 S 7.53 4.48 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.82 0.00 1.01 0.66 0.00 2.79 0.00 0.00 2.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.25 0.00 111 W 7.51 5.03 0.00 3.66 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 0.00 112 F 8.47 4.82 0.00 2.85 3.02 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 0.00 113 S 9.05 4.41 0.00 3.64 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.26 4.58 0.00 1.81 1.93 0.00 3.23 0.00 0.00 3.53 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 115 S 8.63 4.80 0.00 4.14 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 0.00 116 V 7.61 4.36 2.12 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 0.83 0.00 0.00 0.96 0.00 0.00 117 R 8.29 3.64 0.00 1.32 1.59 0.00 3.12 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.00 118 P 0.00 4.37 0.00 2.25 2.02 0.00 3.67 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 119 E 8.90 4.16 0.00 2.02 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 2.33 2.32 0.00 120 F 7.46 5.09 0.00 2.77 2.95 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 0.00 121 P 0.00 4.55 0.00 2.40 2.21 0.00 3.88 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 122 I 7.82 3.15 1.69 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 0.32 0.26 0.72 0.00 0.00 123 E 8.08 3.92 0.00 2.00 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 2.35 2.34 0.00 124 E 7.81 3.76 0.00 1.79 1.68 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 2.21 2.17 0.00 125 F 8.15 4.31 0.00 3.08 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 0.00 126 L 7.28 3.94 0.00 1.49 0.75 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.74 0.00 2.31 2.22 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 128 Y 6.78 4.90 0.00 3.07 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 0.00 129 K 8.57 4.21 0.00 1.79 1.81 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 130 T 8.16 4.16 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 0.00 131 E 8.31 4.24 0.00 2.06 1.96 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 2.27 2.25 0.00 132 S 8.55 4.27 0.00 4.06 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 0.00 133 H 8.93 4.30 0.00 3.19 3.48 0.00 5.46 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 0.00 134 E 7.64 3.94 0.00 1.92 1.96 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 2.21 2.06 0.00 135 D 7.93 4.42 0.00 2.94 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 0.00 136 Q 8.41 4.07 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 137 A 7.74 4.05 1.35 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 0.00 138 K 8.24 3.92 0.00 2.02 1.96 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.63 7.81 139 Y 7.82 4.21 0.00 3.03 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 0.00 140 L 8.12 3.93 0.00 1.89 1.72 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.89 4.06 0.00 3.23 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 0.00 142 H 7.67 4.04 0.00 3.23 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.56 3.41 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 0.88 0.00 0.00 0.53 0.00 0.00 144 L 7.70 3.84 0.00 1.41 1.02 0.33 0.42 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 0.00 145 V 8.09 3.73 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 1.07 0.00 0.00 1.08 0.00 0.00 146 N 8.00 4.46 0.00 2.83 2.84 0.00 0.00 6.71 7.29 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 0.00 147 L 8.46 3.94 0.00 1.74 1.86 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 8.10 4.06 0.00 3.16 3.22 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 0.00 149 I 7.83 3.43 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.88 0.00 0.00 150 A 8.01 3.97 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 0.00 151 I 7.80 3.80 1.79 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.88 0.00 0.00 152 S 7.32 4.45 0.00 3.70 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.50 4.38 0.00 4.01 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 0.00 154 L 7.42 4.10 0.00 1.72 2.05 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00