NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 K 4.2133 8.3101 119.9981 56.9316 33.7934 174.2777 81 A 4.4389 8.4105 120.8122 50.7329 20.8782 175.4275 82 K 4.5900 8.8791 121.0547 54.8751 35.4342 176.1282 83 T 4.0304 8.5365 116.3421 67.2502 68.0972 176.2656 84 E 3.8244 8.3893 119.9413 59.5833 29.2051 178.7881 85 D 4.2517 8.3287 117.8840 57.4722 40.8283 178.4247 86 F 4.2428 8.1213 117.7759 60.2995 39.0955 177.8471 87 V 3.8950 8.8310 118.8812 66.1760 31.0138 177.9716 88 K 3.9490 8.2840 119.0309 59.4523 31.6515 178.3091 89 A 3.8956 7.3669 120.0035 55.1555 18.5753 179.4187 90 F 4.1724 7.8765 114.3132 60.8241 39.1228 177.9800 91 Q 3.9859 7.9929 117.6217 59.2312 28.3053 179.7329 92 V 3.6210 7.3545 117.8781 65.7849 31.8837 176.9388 93 F 4.0849 8.3072 121.4418 61.1958 39.6259 175.6966 94 D 4.8153 7.8038 122.0951 54.3805 38.0654 176.8790 95 K 3.8940 8.0887 122.1594 59.1858 32.5197 177.9728 96 E 4.2846 8.1226 115.2805 55.4552 29.9169 176.6319 97 S 3.6931 7.4871 112.0811 59.5633 60.9444 171.7850 98 T 4.1410 7.7166 111.7121 62.3112 69.9773 176.8111 99 G 4.2619 9.1111 108.2425 44.7145 0.0000 172.5140 100 K 5.0897 7.6380 116.6981 54.8919 36.3261 175.7230 101 V 4.7390 8.6673 114.3250 60.0193 36.8891 174.1481 102 S 5.0123 8.8415 117.1372 57.2535 64.1705 175.5504 103 V 3.6767 8.6657 122.8473 65.1275 31.0728 178.7713 104 G 3.6252 8.0434 105.7869 47.5991 0.0000 174.9141 105 D 4.4136 7.6693 120.0288 56.5128 41.2668 178.0492 106 L 4.1840 8.4591 121.2431 58.4493 42.2635 179.1181 107 R 4.1163 8.3943 118.7303 59.2702 29.7067 177.9020 108 Y 3.8333 7.4725 117.6223 60.9601 39.1970 177.5026 109 M 4.2165 8.2038 119.3002 58.1858 31.9367 178.3371 110 L 4.1932 8.1123 120.1295 58.8494 42.0748 179.3017 111 T 4.6837 7.2265 115.4190 65.7813 68.3944 176.1432 112 G 3.7787 7.8304 105.7555 45.6718 0.0000 174.4888 113 L 4.4335 7.5957 121.3564 54.5789 42.2274 176.2960 114 G 3.9864 8.2766 105.1622 46.1458 0.0000 172.9601 115 E 4.6235 8.4093 120.5911 53.8948 31.7256 175.8951 116 K 4.6973 8.4380 126.2700 55.5288 32.5021 175.7359 117 L 4.5196 7.5513 118.3773 54.8576 43.7118 177.4098 118 T 4.6405 7.9975 117.6775 61.5524 72.1482 175.2871 119 D 4.3220 8.8330 123.2223 57.5560 41.1368 179.2003 120 A 3.9537 7.9555 120.7174 55.3142 18.5152 179.3176 121 E 3.9945 8.0583 116.4686 59.4721 29.7355 179.4557 122 V 3.6941 8.1235 118.6164 66.0548 31.3003 177.5575 123 D 4.3541 8.2937 117.4858 57.1748 41.3455 177.8417 124 E 4.1211 7.7986 118.3437 59.3710 29.3957 179.2325 125 L 4.0276 7.9026 118.8581 57.9913 41.8928 179.6716 126 L 3.9980 8.3854 118.5508 56.7992 41.2475 179.0626 127 K 4.1068 7.8267 119.3033 58.3020 32.1182 176.9748 128 G 4.0473 7.5576 105.6571 45.1482 0.0000 174.0402 129 V 3.5768 7.4470 120.4936 61.4255 31.8519 175.6996 130 E 4.3431 8.4880 124.9078 54.3936 29.2027 175.5599 131 V 3.9362 7.9128 125.4735 60.9806 32.9522 175.7155 132 D 4.7551 7.7340 121.0802 53.0250 42.4935 177.5399 133 S 4.3983 8.4939 114.2277 60.2166 62.6578 174.5240 134 N 4.6616 8.1751 117.7883 53.0200 39.9208 174.8952 135 G 3.8820 8.2438 105.7952 46.2316 0.0000 172.0814 136 E 4.9383 8.0597 118.0344 54.3122 32.4609 175.2199 137 I 4.7764 8.9176 123.5059 59.4389 42.2029 173.8153 138 D 4.9647 8.3361 122.9929 53.1497 41.2168 176.6098 139 Y 3.9249 8.7430 126.1477 60.0041 37.9358 178.3745 140 K 3.7947 6.5823 119.8724 58.8156 32.0155 179.3759 141 K 3.8737 8.4884 119.3825 59.4704 31.8075 179.2937 142 F 4.3278 7.9132 120.8940 60.9436 39.1727 177.4575 143 I 3.3007 7.2971 119.2456 64.2084 36.8661 178.1488 144 E 3.9061 7.9610 119.2044 58.9437 29.0066 178.2203 145 D 4.3812 7.4812 116.2043 55.2045 41.7522 177.5366 146 V 3.7383 6.7790 118.0409 65.3157 31.8156 177.4998 147 L 4.0081 8.0613 117.8315 57.5362 41.4061 179.3180 148 R 4.0799 7.0074 114.9643 58.8411 30.0666 176.3335 149 Q 4.0387 7.9111 123.0237 56.3261 29.4036 173.8326 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 80 K 8.31 4.21 0.00 1.90 1.95 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 81 A 8.41 4.44 1.24 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 0.00 0.00 0.00 82 K 8.88 4.59 0.00 1.84 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.45 7.81 83 T 8.54 4.03 4.31 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 1.30 0.00 0.00 84 E 8.39 3.82 0.00 2.00 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 2.45 2.36 0.00 85 D 8.33 4.25 0.00 2.62 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 86 F 8.12 4.24 0.00 3.37 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 87 V 8.83 3.90 2.23 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 1.14 0.00 0.00 1.10 0.00 0.00 88 K 8.28 3.95 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 89 A 7.37 3.90 1.16 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 90 F 7.88 4.17 0.00 3.10 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 91 Q 7.99 3.99 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 92 V 7.35 3.62 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 0.81 0.00 0.00 0.96 0.00 0.00 93 F 8.31 4.08 0.00 3.07 3.21 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 0.00 0.00 0.00 0.00 94 D 7.80 4.82 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.09 3.89 0.00 1.63 1.79 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.20 7.81 96 E 8.12 4.28 0.00 1.96 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 2.24 2.22 0.00 97 S 7.49 3.69 0.00 3.96 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 98 T 7.72 4.14 4.30 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 1.25 0.00 0.00 99 G 9.11 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 0.00 0.00 0.00 0.00 100 K 7.64 5.09 0.00 1.64 1.72 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.54 7.81 101 V 8.67 4.74 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 0.83 0.00 0.00 0.98 0.00 0.00 102 S 8.84 5.01 0.00 3.89 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 0.00 103 V 8.67 3.68 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 0.78 0.00 0.00 0.83 0.00 0.00 104 G 8.04 3.63 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 0.00 0.00 0.00 105 D 7.67 4.41 0.00 2.46 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.18 0.00 1.76 1.77 0.18 0.73 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 0.00 107 R 8.39 4.12 0.00 2.02 1.99 0.00 3.36 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 108 Y 7.47 3.83 0.00 3.32 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 0.00 109 M 8.20 4.22 0.00 1.52 2.15 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 2.48 2.53 0.00 110 L 8.11 4.19 0.00 2.28 1.86 1.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.23 4.68 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 1.08 0.00 0.00 112 G 7.83 3.78 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 0.00 0.00 0.00 113 L 7.60 4.43 0.00 1.84 1.72 0.93 0.69 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 0.00 114 G 8.28 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 0.00 115 E 8.41 4.62 0.00 2.22 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 2.37 2.38 0.00 116 K 8.44 4.70 0.00 1.85 1.78 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.42 7.81 117 L 7.55 4.52 0.00 1.71 1.67 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.00 4.64 4.25 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 1.22 0.00 0.00 119 D 8.83 4.32 0.00 2.71 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 0.00 120 A 7.96 3.95 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 0.00 121 E 8.06 3.99 0.00 2.15 2.02 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 2.41 2.37 0.00 122 V 8.12 3.69 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 1.19 0.00 0.00 1.05 0.00 0.00 123 D 8.29 4.35 0.00 2.97 2.84 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 0.00 124 E 7.80 4.12 0.00 2.39 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 2.53 2.51 0.00 125 L 7.90 4.03 0.00 2.02 1.97 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.39 4.00 0.00 1.84 1.63 0.89 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.83 4.11 0.00 1.94 1.93 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 128 G 7.56 4.05 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 0.00 0.00 0.00 129 V 7.45 3.58 1.95 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 0.54 0.00 0.00 0.76 0.00 0.00 130 E 8.49 4.34 0.00 1.91 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 2.18 2.24 0.00 131 V 7.91 3.94 2.02 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 0.84 0.00 0.00 0.89 0.00 0.00 132 D 7.73 4.76 0.00 2.77 2.64 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 0.00 133 S 8.49 4.40 0.00 3.85 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 0.00 134 N 8.18 4.66 0.00 2.64 2.80 0.00 0.00 7.55 7.99 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 0.00 135 G 8.24 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 0.00 136 E 8.06 4.94 0.00 1.91 1.85 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 2.32 2.31 0.00 137 I 8.92 4.78 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.56 0.78 0.00 0.00 138 D 8.34 4.96 0.00 2.65 2.45 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 0.00 139 Y 8.74 3.92 0.00 2.58 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 0.00 140 K 6.58 3.79 0.00 1.31 1.62 0.00 1.53 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 0.82 7.81 141 K 8.49 3.87 0.00 1.82 1.82 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 142 F 7.91 4.33 0.00 2.92 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 0.00 143 I 7.30 3.30 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.54 0.00 0.00 144 E 7.96 3.91 0.00 2.13 1.94 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 2.28 2.40 0.00 145 D 7.48 4.38 0.00 2.57 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 0.00 146 V 6.78 3.74 1.71 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 0.81 0.00 0.00 -0.06 0.00 0.00 147 L 8.06 4.01 0.00 1.63 1.70 0.42 1.20 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 0.00 148 R 7.01 4.08 0.00 1.93 1.96 0.00 3.09 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 1.63 1.80 0.00 149 Q 7.91 4.04 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00