NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 204 H 4.6769 8.4449 116.3159 55.6758 29.9424 172.3013 205 H 4.4546 8.3471 115.3434 55.5361 29.7073 172.7542 206 H 5.0210 8.7763 118.3820 55.4991 33.4822 172.3517 207 H 4.1915 9.4476 116.7160 57.1778 26.5316 175.2328 208 H 4.4362 8.4103 116.3397 55.9115 29.2098 174.4984 209 M 4.8475 8.4601 121.9773 53.4884 34.4284 175.2218 210 I 4.8201 8.0138 114.9214 58.5927 41.2785 175.2874 211 T 4.4152 8.9045 112.3177 60.7077 71.3131 175.6326 212 E 3.9367 8.6107 121.2061 59.6695 29.3837 179.6853 213 R 3.8674 7.9143 118.1003 59.4033 30.1505 178.2036 214 E 3.9708 8.1515 118.3906 59.3665 29.4050 179.1323 215 L 3.8505 7.9104 120.2796 58.0120 42.1264 178.7558 216 L 3.9254 8.1625 120.4895 58.2503 41.9641 178.6045 217 D 4.3554 8.4799 119.2567 57.4898 40.7284 178.1127 218 Y 3.9977 8.2952 120.1472 60.7452 38.7302 178.2060 219 I 3.6449 8.1176 120.9185 64.3613 37.2370 178.5256 220 V 3.5444 7.8408 118.8680 66.2775 31.2161 177.9171 221 N 4.4013 8.1217 114.5559 55.5497 38.3286 175.7880 222 N 4.6621 7.8990 117.8669 52.7679 38.6892 175.1812 223 G 3.8843 8.2000 105.7783 46.4909 0.0000 174.0334 224 G 3.8470 8.5199 105.2740 46.2144 0.0000 174.4755 225 F 4.8610 7.6217 116.6764 55.9535 42.7055 173.5990 226 L 4.2456 7.2235 127.9387 52.8038 44.6077 175.0686 227 D 4.5267 8.4394 125.8669 52.6017 41.9350 176.3133 228 I 3.7231 8.0981 129.1837 64.2570 37.2018 177.7035 229 E 3.9263 8.2628 119.5638 59.6323 29.4693 178.0612 230 H 4.0924 8.7055 118.0341 59.3594 29.8806 176.8635 231 F 4.0923 8.9401 122.6215 61.4061 39.3108 176.9507 232 S 4.3792 8.5069 114.3868 60.6411 61.9479 176.0488 233 K 3.4184 7.6535 121.2378 59.3868 32.0400 178.7171 234 V 3.3848 7.4185 117.1150 65.4680 31.5401 176.7693 235 Y 4.1342 7.6413 114.3868 56.8227 38.0212 177.1152 236 G 4.0371 7.6323 108.4804 44.7252 0.0000 173.2836 237 V 4.4256 6.9493 119.8071 60.8191 32.5397 175.4700 238 E 4.0884 8.7652 126.3216 56.5783 31.1840 178.1790 239 K 3.9570 8.8054 122.6752 59.9243 32.1967 179.6003 240 Q 4.0620 8.0405 117.0081 58.9289 28.6070 177.9433 241 E 3.9278 8.0378 121.2672 58.9434 29.7003 178.6085 242 V 3.5044 7.8810 118.4033 65.9307 31.5335 178.1028 243 V 3.5032 7.8151 117.8902 65.8633 31.4983 177.6576 244 K 3.8361 8.1488 119.3422 59.7658 31.9980 178.6889 245 L 4.0132 8.0801 119.0908 57.6894 41.4104 179.5001 246 L 3.9527 8.1224 119.1916 57.7773 41.4913 179.3788 247 E 3.9260 8.4524 118.5248 59.3568 29.4470 179.3095 248 A 4.0146 7.9101 120.4211 55.0529 18.4320 179.6978 249 L 3.9127 7.9335 117.5842 57.7050 41.6806 179.6732 250 K 3.9189 8.3386 119.8918 59.7283 32.0073 178.7257 251 N 4.4408 8.3699 115.4551 55.5510 38.5073 176.6190 252 K 4.3529 7.8538 117.8600 55.6691 32.3102 177.0945 253 G 3.9620 7.7974 107.0982 46.5482 0.0000 175.1716 254 L 4.2805 8.0239 121.9527 55.5738 42.1614 177.2951 255 I 4.5188 7.4931 109.5021 58.6291 40.4347 174.5956 256 A 4.5337 8.3390 124.6355 50.2653 19.8619 176.3880 257 V 3.8805 8.1811 122.3574 63.2023 32.3947 175.1410 258 E 4.6904 8.0038 124.5932 55.1005 33.3930 175.9661 259 S 4.1028 8.6537 115.0679 59.3499 62.9860 172.3257 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 204 H 8.44 4.68 0.00 3.30 3.37 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 H 8.35 4.45 0.00 3.17 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 H 8.78 5.02 0.00 3.09 3.15 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 H 9.45 4.19 0.00 3.25 3.40 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 H 8.41 4.44 0.00 3.27 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 M 8.46 4.85 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 210 I 8.01 4.82 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.94 0.00 0.00 211 T 8.90 4.42 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 0.00 212 E 8.61 3.94 0.00 2.02 2.04 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 2.39 2.37 0.00 213 R 7.91 3.87 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 214 E 8.15 3.97 0.00 2.27 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 2.35 2.34 0.00 215 L 7.91 3.85 0.00 1.67 1.73 0.29 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.16 3.93 0.00 1.85 1.79 0.91 1.56 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 0.00 217 D 8.48 4.36 0.00 2.94 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 0.00 218 Y 8.30 4.00 0.00 3.11 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 0.00 219 I 8.12 3.64 2.01 0.00 0.00 0.79 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 0.68 0.90 0.00 0.00 220 V 7.84 3.54 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 1.02 0.00 0.00 0.95 0.00 0.00 221 N 8.12 4.40 0.00 2.79 2.80 0.00 0.00 7.03 8.57 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 0.00 222 N 7.90 4.66 0.00 2.28 2.71 0.00 0.00 6.98 7.79 0.00 0.00 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 G 8.20 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 0.00 224 G 8.52 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 0.00 0.00 0.00 225 F 7.62 4.86 0.00 2.96 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 0.00 226 L 7.22 4.25 0.00 1.45 1.26 0.57 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 227 D 8.44 4.53 0.00 2.80 2.70 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 0.00 228 I 8.10 3.72 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 0.92 0.00 0.00 229 E 8.26 3.93 0.00 2.11 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 2.46 0.00 230 H 8.71 4.09 0.00 3.48 3.59 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 F 8.94 4.09 0.00 3.15 3.14 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 0.00 232 S 8.51 4.38 0.00 4.04 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 0.00 233 K 7.65 3.42 0.00 1.82 1.79 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 1.45 7.81 234 V 7.42 3.38 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.62 0.00 0.00 235 Y 7.64 4.13 0.00 2.09 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 0.00 236 G 7.63 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 0.00 0.00 0.00 237 V 6.95 4.43 2.27 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 1.28 0.00 0.00 1.08 0.00 0.00 238 E 8.77 4.09 0.00 2.05 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 2.41 2.37 0.00 239 K 8.81 3.96 0.00 1.82 1.89 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.55 7.81 240 Q 8.04 4.06 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 241 E 8.04 3.93 0.00 2.13 2.20 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 2.41 2.45 0.00 242 V 7.88 3.50 2.22 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 0.80 0.00 0.00 1.06 0.00 0.00 243 V 7.82 3.50 2.20 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 1.00 0.00 0.00 0.96 0.00 0.00 244 K 8.15 3.84 0.00 1.97 2.02 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 245 L 8.08 4.01 0.00 1.82 1.65 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 246 L 8.12 3.95 0.00 1.81 1.66 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 247 E 8.45 3.93 0.00 2.11 1.98 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 2.55 2.46 0.00 248 A 7.91 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.91 0.00 1.87 1.70 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 250 K 8.34 3.92 0.00 1.89 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 251 N 8.37 4.44 0.00 2.73 2.86 0.00 0.00 7.13 7.19 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 0.00 252 K 7.85 4.35 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.57 7.81 253 G 7.80 3.96 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 0.00 0.00 0.00 254 L 8.02 4.28 0.00 1.79 1.72 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 255 I 7.49 4.52 1.85 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 1.27 0.64 0.89 0.00 0.00 256 A 8.34 4.53 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 0.00 257 V 8.18 3.88 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 0.80 0.00 0.00 0.90 0.00 0.00 258 E 8.00 4.69 0.00 1.95 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 2.20 2.29 0.00 259 S 8.65 4.10 0.00 4.04 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