NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 149 S 4.3538 8.1927 115.2832 58.1692 64.3582 174.8795 150 I 3.6915 7.4407 118.9371 61.0638 38.1077 175.3711 151 L 4.0947 8.7162 121.9207 57.7821 43.0139 176.2452 152 D 4.7068 7.6127 115.7750 54.1365 41.1926 176.6584 153 I 4.2555 7.2713 121.5863 60.3162 36.2038 174.9816 154 R 5.0062 8.1891 123.5118 54.0527 33.1503 175.4529 155 Q 4.2407 8.4513 124.1091 55.2634 29.7029 176.1124 156 G 3.7816 9.2689 114.0033 45.6777 0.0000 172.7652 157 P 4.3935 0.0000 0.0000 64.6815 31.4546 177.3765 158 K 4.5377 7.7400 113.1503 55.4064 33.7311 175.7634 159 E 4.0765 7.7790 121.0923 55.1629 30.1745 174.7239 160 P 4.4255 0.0000 0.0000 62.7296 32.3180 177.1447 161 F 4.1803 9.1290 125.2136 61.7252 39.5008 177.6745 162 R 3.8871 8.1989 117.7622 59.4122 29.7865 178.0256 163 D 4.4248 8.4935 119.2930 57.1732 40.5222 177.9978 164 Y 4.1851 7.9793 119.7427 60.5247 38.7842 178.2707 165 V 3.1555 7.4135 119.2284 65.8931 31.6133 177.6115 166 D 4.4540 7.8270 118.2148 57.5966 40.5690 179.2810 167 R 3.8876 7.7579 118.5130 59.0439 30.1288 178.5466 168 F 3.7212 7.9572 120.4160 61.7588 39.2937 176.9306 169 Y 4.0684 8.0156 116.0473 60.5636 37.7079 177.9795 170 K 3.8392 8.2858 120.8661 60.1175 31.8554 178.9200 171 T 3.8126 8.1150 116.0197 66.5239 68.3152 176.7343 172 L 3.8730 7.6802 120.8815 57.6636 41.6141 179.7105 173 R 3.8921 8.5192 118.1089 59.4151 29.8717 178.7601 174 A 4.1449 7.6122 118.7622 54.9609 18.2741 178.4919 175 E 4.3464 7.5926 113.7415 55.0813 30.0879 176.1049 176 Q 3.3752 8.5579 116.7931 56.1937 27.0663 174.3403 177 A 3.9844 7.9209 119.7852 52.3394 19.0820 179.2669 178 S 4.4239 8.4932 117.9989 58.0273 65.3917 175.3336 179 Q 3.9825 8.4985 121.9691 59.2807 28.9034 177.5166 180 E 4.1112 8.1952 120.0354 59.2112 29.7062 178.7912 181 V 3.7276 7.7394 118.5710 65.9454 31.5646 178.1706 182 K 4.1350 8.4870 118.2060 59.3677 31.7951 179.1812 183 A 4.0640 8.1039 120.6122 55.1587 18.1534 179.8148 184 W 3.9853 8.3645 117.0415 60.1307 29.0264 178.7995 185 M 4.3884 8.5954 120.3250 58.1473 31.1799 178.7593 186 T 3.9086 8.1732 115.2972 66.4588 68.7717 175.6270 187 E 4.4108 7.7471 117.6367 57.5200 30.3473 175.7807 188 T 4.4266 7.6948 107.4848 62.4972 71.9810 176.1376 189 L 4.1523 8.1976 121.6136 57.2829 42.5979 178.6464 190 L 3.0695 7.6132 120.5229 57.1797 42.1109 179.0407 191 V 3.7691 7.6600 117.1972 66.3548 31.4967 178.0089 192 Q 4.1444 8.1478 116.1508 58.1276 28.7421 177.4610 193 N 4.8193 8.3286 115.9061 52.0593 38.9183 174.8114 194 A 4.0241 7.1493 124.1609 51.1240 19.5524 177.8660 195 N 4.5885 9.0672 118.5451 51.8349 39.4175 174.5125 196 P 4.3859 0.0000 0.0000 65.8254 31.2947 178.7677 197 D 4.3435 8.0306 117.1098 57.3592 41.0456 178.4346 198 C 3.9650 8.6451 117.4997 62.5473 28.0844 175.6685 199 K 3.7671 8.3860 121.7020 60.2320 31.6639 178.6201 200 T 3.8325 7.5787 115.4595 66.5444 68.3380 176.7859 201 I 3.6322 7.5071 121.1246 64.4207 37.1131 178.4101 202 L 3.9440 8.2370 120.0475 57.8504 41.2134 179.8784 203 K 3.9412 8.0791 117.2287 59.2883 32.0297 178.9892 204 A 4.1144 7.8902 120.2053 55.0376 18.3739 179.2720 205 L 4.0564 8.0309 116.9943 56.3894 42.3455 178.5819 206 G 3.9719 8.0634 103.7635 43.7121 0.0000 170.7632 207 P 4.2854 0.0000 0.0000 64.1886 31.4064 176.8205 208 G 3.7836 8.6084 107.5881 45.6348 0.0000 173.6852 209 A 4.2787 7.2264 121.4314 51.7340 19.1290 178.8720 210 T 4.2939 8.4675 112.2986 60.8862 71.2321 175.9050 211 L 4.0191 8.4063 123.0009 58.4374 41.9650 178.8023 212 E 3.9504 8.1194 118.7383 59.1945 29.6604 178.5013 213 E 3.9306 8.0092 118.5931 59.7414 29.3508 178.9337 214 M 3.9503 8.1329 117.7360 58.9831 32.2090 178.5801 215 M 4.4551 8.3752 118.6185 58.5892 31.8640 178.7424 216 T 3.8570 8.1840 115.9249 66.8591 68.4830 176.5038 217 A 4.1035 7.8914 120.8041 54.2694 18.3095 178.3890 218 C 4.4487 7.3432 113.2377 58.6040 28.8090 173.6632 219 Q 4.2569 7.2110 119.8544 57.1581 29.0400 174.5007 220 G 4.3308 10.5358 111.5622 45.7917 0.0000 173.7720 221 V 3.9954 6.9932 122.5061 61.7875 31.3676 173.6908 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 149 S 8.19 4.35 0.00 3.84 4.10 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 0.00 150 I 7.44 3.69 1.60 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.62 0.80 0.00 0.00 151 L 8.72 4.09 0.00 1.62 1.69 0.96 1.18 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 0.00 152 D 7.61 4.71 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.27 4.26 1.96 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 1.23 0.68 1.09 0.00 0.00 154 R 8.19 5.01 0.00 1.68 1.80 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 155 Q 8.45 4.24 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 156 G 9.27 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 0.00 157 P 0.00 4.39 0.00 2.04 2.13 0.00 3.62 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 2.03 2.11 0.00 158 K 7.74 4.54 0.00 1.70 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.32 7.81 159 E 7.78 4.08 0.00 1.92 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 2.40 2.34 0.00 160 P 0.00 4.43 0.00 2.28 2.03 0.00 3.87 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 2.24 2.11 0.00 161 F 9.13 4.18 0.00 3.14 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 0.00 162 R 8.20 3.89 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 163 D 8.49 4.42 0.00 2.91 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 0.00 164 Y 7.98 4.19 0.00 3.15 3.03 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 0.00 0.00 0.00 165 V 7.41 3.16 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 1.09 0.00 0.00 0.18 0.00 0.00 166 D 7.83 4.45 0.00 2.73 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 0.00 167 R 7.76 3.89 0.00 1.82 1.98 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 168 F 7.96 3.72 0.00 2.49 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 0.00 169 Y 8.02 4.07 0.00 3.19 3.01 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 0.00 170 K 8.29 3.84 0.00 2.15 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 171 T 8.11 3.81 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 1.09 0.00 0.00 172 L 7.68 3.87 0.00 1.87 1.71 0.58 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.52 3.89 0.00 1.97 1.98 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 174 A 7.61 4.14 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 0.00 175 E 7.59 4.35 0.00 1.90 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 2.24 2.46 0.00 176 Q 8.56 3.38 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 177 A 7.92 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.49 4.42 0.00 4.08 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 0.00 179 Q 8.50 3.98 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 180 E 8.20 4.11 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 181 V 7.74 3.73 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 0.92 0.00 0.00 182 K 8.49 4.14 0.00 1.97 2.12 0.00 1.98 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.79 7.81 183 A 8.10 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 W 8.36 3.99 0.00 3.58 3.33 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 0.00 185 M 8.60 4.39 0.00 2.33 2.49 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 186 T 8.17 3.91 4.53 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 0.00 0.00 0.00 1.32 0.00 0.00 187 E 7.75 4.41 0.00 2.00 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 2.33 2.34 0.00 188 T 7.69 4.43 4.37 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 1.42 0.00 0.00 189 L 8.20 4.15 0.00 2.03 2.28 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.61 3.07 0.00 0.77 1.68 -0.19 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 0.00 191 V 7.66 3.77 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 1.02 0.00 0.00 0.95 0.00 0.00 192 Q 8.15 4.14 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 193 N 8.33 4.82 0.00 3.24 3.21 0.00 0.00 6.74 7.47 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 0.00 194 A 7.15 4.02 1.41 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 0.00 0.00 195 N 9.07 4.59 0.00 2.90 3.02 0.00 0.00 7.31 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.39 0.00 2.15 2.14 0.00 3.56 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 2.10 2.17 0.00 197 D 8.03 4.34 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 8.65 3.96 0.00 3.11 2.81 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 0.00 199 K 8.39 3.77 0.00 1.98 1.82 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 200 T 7.58 3.83 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 1.18 0.00 0.00 201 I 7.51 3.63 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.83 0.00 0.00 202 L 8.24 3.94 0.00 1.59 1.69 0.90 0.87 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 0.00 203 K 8.08 3.94 0.00 1.70 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 204 A 7.89 4.11 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 0.00 205 L 8.03 4.06 0.00 1.72 1.72 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 206 G 8.06 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 0.00 207 P 0.00 4.29 0.00 2.12 2.03 0.00 3.79 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 1.96 1.95 0.00 208 G 8.61 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 0.00 209 A 7.23 4.28 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 0.00 210 T 8.47 4.29 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 1.20 0.00 0.00 211 L 8.41 4.02 0.00 1.80 1.71 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.12 3.95 0.00 2.04 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 2.39 2.35 0.00 213 E 8.01 3.93 0.00 2.19 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 2.32 2.35 0.00 214 M 8.13 3.95 0.00 2.09 2.47 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.61 0.00 215 M 8.38 4.46 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.89 0.00 216 T 8.18 3.86 4.38 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 1.21 0.00 0.00 217 A 7.89 4.10 1.21 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 0.00 0.00 218 C 7.34 4.45 0.00 2.46 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 Q 7.21 4.26 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 220 G 10.54 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 0.00 0.00 0.00 0.00 221 V 6.99 4.00 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 0.60 0.00 0.00 0.93 0.00 0.00