NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 207 E 4.3431 8.4449 120.2339 56.1637 30.7115 175.1791 208 I 3.9647 8.1897 125.2542 59.2746 38.5218 173.6687 209 P 4.1331 0.0000 0.0000 62.4121 32.9847 177.2456 210 D 4.2196 8.1414 120.5458 57.7413 40.8756 178.5256 211 Y 4.0548 7.3570 114.6115 59.2426 37.9727 176.5443 212 L 4.6869 7.2988 118.8542 54.8252 42.8324 175.4777 213 C 5.2574 8.7007 117.5105 57.3365 31.8690 174.1145 214 G 3.7956 8.6326 108.3267 46.1542 0.0000 175.3184 215 K 4.3194 8.8322 122.8175 58.2013 32.4384 177.1819 216 I 3.9624 7.3683 116.8207 62.7028 39.3598 177.1410 217 S 4.0165 7.7328 114.2650 59.4341 63.0335 176.4322 218 F 4.3561 7.7782 116.4554 57.7991 38.1024 174.6918 219 E 4.4168 7.7409 121.7334 54.2959 30.6245 175.0923 220 L 4.4019 8.2228 123.6435 55.4461 42.5860 176.2842 221 M 4.5644 8.2990 124.2917 54.8485 32.5384 176.4595 222 A 4.1971 9.8919 128.7784 54.6639 19.3133 177.4095 223 E 4.7525 8.4329 118.0947 53.2939 29.8477 171.1612 224 P 5.0014 0.0000 0.0000 62.5496 32.9161 175.7651 225 C 5.3936 8.9819 119.5976 56.3893 33.1203 172.9529 226 I 5.0145 9.3404 122.1118 59.8408 40.6399 174.3016 227 T 5.0777 8.6024 116.6014 58.9074 71.6065 173.5403 228 P 4.3838 0.0000 0.0000 64.5769 31.0924 176.9208 229 S 4.4636 7.8637 114.7904 58.6298 63.2666 175.1161 230 G 3.9982 8.5533 109.9939 45.1168 0.0000 174.1540 231 I 3.8444 7.4737 121.0945 61.2751 37.8718 174.4713 232 T 4.9645 8.0049 121.0077 62.1124 70.6505 173.0659 233 Y 4.7476 8.6872 122.7999 56.1242 43.1108 173.5182 234 D 4.9235 8.6666 119.5018 54.2337 42.3101 177.5774 235 R 3.7257 8.9743 127.6624 59.1935 30.8862 177.7048 236 K 3.8258 8.1649 117.1176 59.9882 31.9331 178.4309 237 D 4.3082 8.1011 117.9553 57.7992 40.9707 179.0105 238 I 3.3904 7.6951 118.1843 64.1256 37.5056 177.6726 239 E 3.9271 8.2087 119.5724 59.1948 29.1541 178.8715 240 E 3.9092 8.0681 119.1060 59.2607 29.7074 178.1799 241 H 3.9414 8.2372 118.4117 59.3424 29.6755 177.2992 242 L 4.8925 7.5888 120.6456 56.8763 41.3790 179.1881 243 Q 4.1899 7.2954 116.8866 58.6539 29.1718 178.0296 244 R 4.0976 8.5545 118.5933 58.4128 30.3458 178.0464 245 V 3.7969 7.8503 117.7964 62.6322 32.1840 176.2065 246 G 4.0985 6.6565 107.3454 46.0244 0.0000 171.7951 247 H 5.0796 8.1542 117.2885 53.2610 26.6058 174.7601 248 F 5.4665 7.0961 112.4820 55.0205 41.7722 175.4561 249 D 4.2174 9.6947 121.4050 54.1043 41.2498 175.0944 250 P 3.8571 0.0000 0.0000 65.4333 31.3963 177.2072 251 V 4.1454 8.0636 116.5648 65.0030 32.2075 177.2585 252 T 3.9793 8.0364 109.6076 62.8328 69.0191 175.6743 253 R 4.4540 8.9648 119.6496 56.1270 28.5394 176.3072 254 S 4.6192 7.6280 113.1260 57.0295 64.5234 171.9039 255 P 4.8948 0.0000 0.0000 63.8842 31.3191 175.3059 256 L 4.8654 8.7855 122.8077 54.4134 46.0085 174.1787 257 T 4.4531 8.8661 115.2526 59.2580 72.0828 174.4518 258 Q 3.8606 8.6963 124.0421 59.5361 28.9307 178.2894 259 D 4.6088 7.9558 113.9941 54.7577 39.5673 176.4983 260 Q 4.2827 7.9855 118.7710 56.6467 29.4012 175.8446 261 L 4.3720 7.6018 118.9619 54.8614 42.0805 176.5383 262 I 4.5264 8.5463 125.0380 58.6167 39.9406 173.4390 263 P 4.6003 0.0000 0.0000 62.4696 31.6433 177.2379 264 N 4.6351 9.1721 127.1722 51.6327 37.6577 174.7909 265 L 3.9860 8.0691 123.7639 57.8049 42.3655 178.5422 266 A 3.9913 8.1098 119.7442 55.9480 18.2393 179.5778 267 M 4.0676 7.8143 116.7108 58.2034 31.7842 178.9660 268 K 4.0108 8.3212 120.6961 59.0058 32.3967 178.1687 269 E 4.5973 8.0139 117.8942 57.3491 29.8476 178.6218 270 V 3.6727 7.4451 118.9916 65.9085 31.8573 177.6765 271 I 3.8993 7.8020 119.6301 64.5117 36.5555 177.7442 272 D 4.4584 7.9748 119.3783 57.8271 40.5396 179.1018 273 A 4.0935 7.9286 119.6891 55.1747 18.5331 179.2033 274 F 4.3212 8.7863 119.3977 61.2395 39.4129 177.3912 275 I 3.9560 7.3122 113.7996 62.6470 36.1692 176.7367 276 Q 4.1501 7.6445 123.2286 57.9700 29.4055 177.2467 277 E 3.9863 7.8869 120.6386 58.2646 30.1395 177.1278 278 N 4.4969 7.4525 120.9361 53.2093 39.0978 174.0659 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 207 E 8.44 4.34 0.00 1.99 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 2.20 2.34 0.00 208 I 8.19 3.96 1.78 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 1.60 0.66 0.55 0.00 0.00 209 P 0.00 4.13 0.00 1.18 1.08 0.00 2.53 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 210 D 8.14 4.22 0.00 2.56 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 0.00 211 Y 7.36 4.05 0.00 2.94 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 0.00 212 L 7.30 4.69 0.00 1.54 1.55 0.48 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 213 C 8.70 5.26 0.00 2.84 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 0.00 214 G 8.63 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 K 8.83 4.32 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 0.98 7.81 216 I 7.37 3.96 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.78 0.00 0.00 217 S 7.73 4.02 0.00 3.99 4.47 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 0.00 0.00 0.00 0.00 218 F 7.78 4.36 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 0.00 219 E 7.74 4.42 0.00 2.10 1.83 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 2.30 2.31 0.00 220 L 8.22 4.40 0.00 1.64 1.59 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 221 M 8.30 4.56 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 222 A 9.89 4.20 1.27 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 0.00 0.00 0.00 223 E 8.43 4.75 0.00 2.04 1.80 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 0.00 2.19 2.22 0.00 224 P 0.00 5.00 0.00 2.16 2.20 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 225 C 8.98 5.39 0.00 3.09 3.04 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 0.00 226 I 9.34 5.01 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 1.30 1.75 0.97 0.00 0.00 227 T 8.60 5.08 4.32 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 1.49 0.00 0.00 228 P 0.00 4.38 0.00 2.22 2.23 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 229 S 7.86 4.46 0.00 3.97 3.98 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 0.00 230 G 8.55 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 0.00 0.00 0.00 231 I 7.47 3.84 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.32 0.00 0.00 232 T 8.00 4.96 4.14 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 1.21 0.00 0.00 233 Y 8.69 4.75 0.00 2.83 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 0.00 234 D 8.67 4.92 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 R 8.97 3.73 0.00 2.01 1.88 0.00 3.50 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 236 K 8.16 3.83 0.00 1.82 1.83 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.28 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.67 7.81 237 D 8.10 4.31 0.00 2.81 2.68 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 0.00 0.00 0.00 238 I 7.70 3.39 1.57 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.98 0.00 0.00 239 E 8.21 3.93 0.00 2.42 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 2.29 2.26 0.00 240 E 8.07 3.91 0.00 2.03 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 2.26 2.28 0.00 241 H 8.24 3.94 0.00 3.09 3.24 0.00 5.64 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 0.00 242 L 7.59 4.89 0.00 1.76 1.66 0.83 0.80 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 0.00 243 Q 7.30 4.19 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 244 R 8.55 4.10 0.00 1.67 1.94 0.00 3.12 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 245 V 7.85 3.80 1.50 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 0.83 0.00 0.00 0.81 0.00 0.00 246 G 6.66 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 0.00 0.00 0.00 247 H 8.15 5.08 0.00 3.14 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 F 7.10 5.47 0.00 3.20 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 0.00 249 D 9.69 4.22 0.00 2.78 2.80 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 0.00 0.00 0.00 0.00 250 P 0.00 3.86 0.00 2.08 1.92 0.00 3.27 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.93 0.00 251 V 8.06 4.15 2.33 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 0.85 0.00 0.00 1.02 0.00 0.00 252 T 8.04 3.98 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 1.26 0.00 0.00 253 R 8.96 4.45 0.00 2.00 2.09 0.00 3.17 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 254 S 7.63 4.62 0.00 3.97 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 0.00 255 P 0.00 4.89 0.00 2.13 2.16 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 256 L 8.79 4.87 0.00 1.77 1.43 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 257 T 8.87 4.45 4.19 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 0.00 0.00 0.00 1.12 0.00 0.00 258 Q 8.70 3.86 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 259 D 7.96 4.61 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 260 Q 7.99 4.28 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 261 L 7.60 4.37 0.00 1.55 1.63 0.89 0.72 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 0.00 262 I 8.55 4.53 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.15 0.91 0.00 0.00 263 P 0.00 4.60 0.00 1.94 2.01 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 264 N 9.17 4.64 0.00 2.71 2.81 0.00 0.00 6.74 7.28 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 0.00 265 L 8.07 3.99 0.00 1.72 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 266 A 8.11 3.99 1.31 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 0.00 0.00 0.00 267 M 7.81 4.07 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 268 K 8.32 4.01 0.00 1.78 1.91 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.60 7.81 269 E 8.01 4.60 0.00 2.25 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 0.00 2.60 2.22 0.00 270 V 7.45 3.67 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 0.89 0.00 0.00 0.98 0.00 0.00 271 I 7.80 3.90 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.97 0.00 0.00 272 D 7.97 4.46 0.00 2.66 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 0.00 273 A 7.93 4.09 1.49 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 0.00 0.00 0.00 274 F 8.79 4.32 0.00 3.13 3.25 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 0.00 275 I 7.31 3.96 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.95 0.00 0.00 276 Q 7.64 4.15 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 277 E 7.89 3.99 0.00 1.75 1.88 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 2.25 2.35 0.00 278 N 7.45 4.50 0.00 2.46 2.53 0.00 0.00 6.80 7.44 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