REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2z6m_1_F DATA FIRST_RESID 5 DATA SEQUENCE TSQVRQNYDQ DSEAAINRQI NLELYASYVY LSMSYYFDRD DVALKNFAKY DATA SEQUENCE FLHQSHEERC HAEKLMKLQN QRGGRIFLQD IKKPDRDDWE SGLNAMEAAL DATA SEQUENCE QLEKNVNQSL LELHKLATDK NDPHLCDFIE THYLNCQVCA IKCLGDHVTN DATA SEQUENCE LRKMGAPESG LAEYLFDKHT LG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 5 T C 0.000 174.709 174.700 0.015 0.000 1.109 5 T CA 0.000 62.114 62.100 0.023 0.000 1.349 5 T CB 0.000 68.879 68.868 0.018 0.000 0.612 6 S N 2.059 117.769 115.700 0.016 0.000 2.561 6 S HA -0.033 4.435 4.470 -0.003 0.000 0.294 6 S C 1.729 176.325 174.600 -0.005 0.000 1.294 6 S CA 0.280 58.480 58.200 0.001 0.000 1.055 6 S CB 0.573 63.769 63.200 -0.006 0.000 0.819 6 S HN 0.788 9.098 8.310 -0.000 0.000 0.503 7 Q N 3.198 122.991 119.800 -0.013 0.000 2.436 7 Q HA -0.036 4.302 4.340 -0.003 0.000 0.209 7 Q C 1.347 177.333 176.000 -0.023 0.000 0.965 7 Q CA 1.461 57.256 55.803 -0.014 0.000 0.910 7 Q CB -0.355 28.375 28.738 -0.015 0.000 0.980 7 Q HN 0.689 8.959 8.270 -0.000 0.000 0.491 8 V N -2.169 117.724 119.914 -0.034 0.000 3.660 8 V HA 0.253 4.371 4.120 -0.003 0.000 0.276 8 V C 0.908 176.965 176.094 -0.061 0.000 1.317 8 V CA -0.333 61.935 62.300 -0.053 0.000 1.097 8 V CB -0.355 31.425 31.823 -0.072 0.000 0.863 8 V HN 0.182 8.372 8.190 -0.000 0.000 0.438 9 R N 1.996 122.475 120.500 -0.035 0.000 2.489 9 R HA 0.365 4.703 4.340 -0.003 0.000 0.287 9 R C -0.214 176.085 176.300 -0.002 0.000 1.053 9 R CA 0.310 56.403 56.100 -0.012 0.000 1.036 9 R CB 0.223 30.546 30.300 0.038 0.000 0.966 9 R HN 0.734 9.004 8.270 -0.000 0.000 0.432 10 Q N 3.949 123.751 119.800 0.004 0.000 2.380 10 Q HA 0.067 4.405 4.340 -0.003 0.000 0.245 10 Q C -1.104 174.915 176.000 0.032 0.000 0.893 10 Q CA -0.468 55.340 55.803 0.008 0.000 0.922 10 Q CB 0.975 29.701 28.738 -0.021 0.000 1.432 10 Q HN 0.842 9.112 8.270 -0.000 0.000 0.434 11 N N 2.217 120.946 118.700 0.049 0.000 2.741 11 N HA -0.264 4.474 4.740 -0.003 0.000 0.250 11 N C -2.004 173.580 175.510 0.122 0.000 1.115 11 N CA 1.113 54.199 53.050 0.060 0.000 0.724 11 N CB -1.005 37.508 38.487 0.043 0.000 1.090 11 N HN 0.609 8.989 8.380 -0.000 0.000 0.558 12 Y N 1.448 121.729 120.300 -0.032 0.000 2.717 12 Y HA 0.343 4.891 4.550 -0.003 0.000 0.329 12 Y C 0.133 176.018 175.900 -0.025 0.000 1.017 12 Y CA -1.578 56.502 58.100 -0.033 0.000 1.275 12 Y CB -0.066 38.366 38.460 -0.045 0.000 1.109 12 Y HN 0.137 8.417 8.280 -0.000 0.000 0.511 13 D N 3.545 123.825 120.400 -0.200 0.000 2.443 13 D HA -0.059 4.579 4.640 -0.003 0.000 0.239 13 D C 0.619 176.698 176.300 -0.368 0.000 1.136 13 D CA 0.399 54.269 54.000 -0.218 0.000 0.879 13 D CB 1.260 41.971 40.800 -0.148 0.000 1.195 13 D HN 0.757 9.127 8.370 -0.000 0.000 0.443 14 Q N 1.976 121.639 119.800 -0.227 0.000 2.170 14 Q HA -0.154 4.184 4.340 -0.003 0.000 0.203 14 Q C 1.199 177.081 176.000 -0.197 0.000 0.976 14 Q CA 1.109 56.791 55.803 -0.202 0.000 0.858 14 Q CB 0.208 28.883 28.738 -0.106 0.000 0.907 14 Q HN 0.547 8.817 8.270 -0.000 0.000 0.433 15 D N 0.041 120.341 120.400 -0.166 0.000 2.178 15 D HA -0.087 4.551 4.640 -0.003 0.000 0.201 15 D C 1.906 178.110 176.300 -0.161 0.000 0.980 15 D CA 0.967 54.889 54.000 -0.131 0.000 0.842 15 D CB 0.032 40.773 40.800 -0.098 0.000 0.948 15 D HN 0.096 8.466 8.370 -0.000 0.000 0.472 16 S N 0.721 116.272 115.700 -0.249 0.000 2.355 16 S HA -0.172 4.296 4.470 -0.003 0.000 0.222 16 S C 1.864 176.291 174.600 -0.289 0.000 1.031 16 S CA 0.958 58.995 58.200 -0.272 0.000 0.993 16 S CB -0.129 62.840 63.200 -0.385 0.000 0.859 16 S HN 0.364 8.674 8.310 -0.000 0.000 0.453 17 E N 1.409 121.320 120.200 -0.482 0.000 2.049 17 E HA -0.234 4.114 4.350 -0.003 0.000 0.198 17 E C 2.130 178.702 176.600 -0.047 0.000 1.007 17 E CA 1.328 57.584 56.400 -0.239 0.000 0.809 17 E CB -0.320 29.258 29.700 -0.204 0.000 0.749 17 E HN 0.469 8.829 8.360 -0.000 0.000 0.450 18 A N 0.921 123.701 122.820 -0.067 0.000 1.933 18 A HA -0.081 4.237 4.320 -0.003 0.000 0.218 18 A C 2.387 179.959 177.584 -0.020 0.000 1.175 18 A CA 1.829 53.851 52.037 -0.026 0.000 0.628 18 A CB -0.777 18.194 19.000 -0.049 0.000 0.814 18 A HN 0.448 8.598 8.150 -0.000 0.000 0.444 19 A N -0.225 122.569 122.820 -0.044 0.000 1.933 19 A HA -0.075 4.243 4.320 -0.003 0.000 0.218 19 A C 2.103 179.680 177.584 -0.012 0.000 1.175 19 A CA 1.519 53.538 52.037 -0.030 0.000 0.628 19 A CB -0.514 18.461 19.000 -0.043 0.000 0.814 19 A HN 0.508 8.658 8.150 -0.000 0.000 0.444 20 I N -0.455 120.113 120.570 -0.003 0.000 2.353 20 I HA -0.205 3.963 4.170 -0.003 0.000 0.248 20 I C 2.245 178.380 176.117 0.030 0.000 1.119 20 I CA 0.887 62.193 61.300 0.010 0.000 1.417 20 I CB -0.410 37.612 38.000 0.038 0.000 1.078 20 I HN 0.432 8.642 8.210 -0.000 0.000 0.421 21 N N 0.758 119.489 118.700 0.051 0.000 2.166 21 N HA -0.231 4.507 4.740 -0.003 0.000 0.186 21 N C 2.016 177.559 175.510 0.055 0.000 1.019 21 N CA 1.040 54.133 53.050 0.071 0.000 0.856 21 N CB -0.102 38.452 38.487 0.112 0.000 0.993 21 N HN 0.328 8.708 8.380 -0.000 0.000 0.426 22 R N 1.288 121.809 120.500 0.035 0.000 2.096 22 R HA -0.162 4.176 4.340 -0.003 0.000 0.235 22 R C 2.125 178.443 176.300 0.031 0.000 1.127 22 R CA 1.403 57.517 56.100 0.025 0.000 0.968 22 R CB -0.042 30.262 30.300 0.006 0.000 0.861 22 R HN 0.097 8.367 8.270 -0.000 0.000 0.440 23 Q N 0.774 120.589 119.800 0.025 0.000 2.119 23 Q HA -0.048 4.290 4.340 -0.003 0.000 0.201 23 Q C 1.915 177.954 176.000 0.064 0.000 0.972 23 Q CA 1.576 57.396 55.803 0.029 0.000 0.847 23 Q CB -0.109 28.620 28.738 -0.016 0.000 0.903 23 Q HN 0.460 8.730 8.270 -0.000 0.000 0.433 24 I N 0.657 121.266 120.570 0.064 0.000 2.163 24 I HA -0.311 3.858 4.170 -0.003 0.000 0.243 24 I C 2.355 178.531 176.117 0.098 0.000 1.085 24 I CA 1.432 62.785 61.300 0.089 0.000 1.347 24 I CB -0.521 37.522 38.000 0.073 0.000 1.044 24 I HN 0.386 8.596 8.210 -0.000 0.000 0.408 25 N N 1.296 120.046 118.700 0.083 0.000 2.188 25 N HA -0.188 4.550 4.740 -0.003 0.000 0.184 25 N C 1.991 177.579 175.510 0.129 0.000 1.018 25 N CA 1.267 54.371 53.050 0.090 0.000 0.858 25 N CB -0.039 38.485 38.487 0.062 0.000 0.989 25 N HN 0.217 8.597 8.380 -0.000 0.000 0.426 26 L N 2.013 123.306 121.223 0.116 0.000 2.083 26 L HA -0.052 4.286 4.340 -0.003 0.000 0.209 26 L C 2.124 179.126 176.870 0.218 0.000 1.083 26 L CA 1.637 56.571 54.840 0.157 0.000 0.752 26 L CB -0.621 41.502 42.059 0.106 0.000 0.899 26 L HN 0.046 8.275 8.230 -0.000 0.000 0.433 27 E N -0.088 120.222 120.200 0.183 0.000 2.051 27 E HA -0.195 4.153 4.350 -0.003 0.000 0.192 27 E C 2.311 179.024 176.600 0.189 0.000 0.991 27 E CA 1.601 58.125 56.400 0.206 0.000 0.799 27 E CB -0.482 29.359 29.700 0.235 0.000 0.748 27 E HN 0.534 8.894 8.360 -0.000 0.000 0.449 28 L N 0.164 121.486 121.223 0.164 0.000 2.079 28 L HA -0.216 4.122 4.340 -0.003 0.000 0.210 28 L C 2.608 179.574 176.870 0.160 0.000 1.081 28 L CA 1.244 56.159 54.840 0.125 0.000 0.752 28 L CB -0.590 41.519 42.059 0.084 0.000 0.896 28 L HN 0.131 8.361 8.230 -0.000 0.000 0.433 29 Y N 0.950 121.305 120.300 0.091 0.000 2.114 29 Y HA -0.292 4.257 4.550 -0.003 0.000 0.284 29 Y C 2.523 178.493 175.900 0.117 0.000 1.143 29 Y CA 1.268 59.442 58.100 0.123 0.000 1.135 29 Y CB -0.476 38.039 38.460 0.091 0.000 0.980 29 Y HN 0.089 8.369 8.280 -0.000 0.000 0.499 30 A N -0.752 122.055 122.820 -0.021 0.000 1.883 30 A HA -0.259 4.059 4.320 -0.003 0.000 0.217 30 A C 2.543 180.034 177.584 -0.156 0.000 1.186 30 A CA 2.240 54.158 52.037 -0.199 0.000 0.624 30 A CB -1.568 17.419 19.000 -0.022 0.000 0.822 30 A HN 0.539 8.689 8.150 -0.000 0.000 0.444 31 S N -2.169 113.571 115.700 0.066 0.000 2.383 31 S HA -0.203 4.265 4.470 -0.003 0.000 0.229 31 S C 1.926 176.638 174.600 0.187 0.000 1.030 31 S CA 1.716 60.016 58.200 0.167 0.000 1.002 31 S CB -0.510 62.770 63.200 0.132 0.000 0.829 31 S HN 0.601 8.911 8.310 -0.000 0.000 0.467 32 Y N 1.981 122.240 120.300 -0.068 0.000 2.184 32 Y HA 0.011 4.559 4.550 -0.003 0.000 0.290 32 Y C 2.428 178.262 175.900 -0.110 0.000 1.129 32 Y CA 0.816 58.878 58.100 -0.064 0.000 1.144 32 Y CB -0.943 37.478 38.460 -0.066 0.000 0.995 32 Y HN 0.111 8.391 8.280 -0.000 0.000 0.513 33 V N -0.608 119.154 119.914 -0.254 0.000 2.287 33 V HA -0.382 3.736 4.120 -0.003 0.000 0.248 33 V C 2.143 178.071 176.094 -0.277 0.000 1.053 33 V CA 2.225 64.313 62.300 -0.353 0.000 1.027 33 V CB -1.120 30.376 31.823 -0.545 0.000 0.646 33 V HN 0.443 8.633 8.190 -0.000 0.000 0.447 34 Y N -0.880 119.320 120.300 -0.167 0.000 2.181 34 Y HA -0.265 4.283 4.550 -0.003 0.000 0.288 34 Y C 2.435 178.342 175.900 0.012 0.000 1.146 34 Y CA 1.256 59.294 58.100 -0.103 0.000 1.164 34 Y CB -0.180 38.304 38.460 0.040 0.000 0.982 34 Y HN 0.241 8.521 8.280 -0.000 0.000 0.515 35 L N -0.420 120.962 121.223 0.266 0.000 2.042 35 L HA -0.241 4.097 4.340 -0.003 0.000 0.210 35 L C 2.599 179.636 176.870 0.278 0.000 1.076 35 L CA 2.069 57.096 54.840 0.312 0.000 0.749 35 L CB -1.015 41.236 42.059 0.319 0.000 0.893 35 L HN 0.111 8.341 8.230 -0.000 0.000 0.432 36 S N -0.993 114.771 115.700 0.108 0.000 2.359 36 S HA -0.247 4.221 4.470 -0.003 0.000 0.224 36 S C 2.022 176.711 174.600 0.149 0.000 1.035 36 S CA 1.893 60.168 58.200 0.125 0.000 1.018 36 S CB -0.262 62.994 63.200 0.092 0.000 0.876 36 S HN 0.537 8.847 8.310 -0.000 0.000 0.448 37 M N 0.611 120.098 119.600 -0.188 0.000 2.086 37 M HA -0.072 4.406 4.480 -0.003 0.000 0.261 37 M C 2.592 179.028 176.300 0.228 0.000 1.067 37 M CA 1.581 56.645 55.300 -0.394 0.000 1.116 37 M CB -0.735 31.292 32.600 -0.955 0.000 1.348 37 M HN 0.454 8.744 8.290 -0.000 0.000 0.407 38 S N 0.103 115.991 115.700 0.314 0.000 2.369 38 S HA -0.214 4.255 4.470 -0.003 0.000 0.225 38 S C 1.709 176.430 174.600 0.202 0.000 1.043 38 S CA 1.660 60.079 58.200 0.366 0.000 1.074 38 S CB -0.473 62.857 63.200 0.217 0.000 0.962 38 S HN 0.484 8.794 8.310 -0.000 0.000 0.433 39 Y N 0.098 120.552 120.300 0.257 0.000 2.639 39 Y HA 0.026 4.574 4.550 -0.003 0.000 0.297 39 Y C 1.981 177.990 175.900 0.182 0.000 1.151 39 Y CA 0.839 59.059 58.100 0.199 0.000 1.335 39 Y CB -0.509 38.045 38.460 0.156 0.000 0.994 39 Y HN 0.554 8.834 8.280 -0.000 0.000 0.548 40 Y N -0.947 119.434 120.300 0.135 0.000 2.243 40 Y HA -0.142 4.406 4.550 -0.003 0.000 0.293 40 Y C 1.386 177.188 175.900 -0.163 0.000 1.124 40 Y CA 1.083 59.162 58.100 -0.036 0.000 1.159 40 Y CB -0.824 37.567 38.460 -0.116 0.000 1.008 40 Y HN 0.048 8.328 8.280 -0.000 0.000 0.527 41 F N 0.334 120.283 119.950 -0.002 0.000 2.771 41 F HA -0.002 4.523 4.527 -0.003 0.000 0.299 41 F C 1.700 177.447 175.800 -0.089 0.000 1.177 41 F CA 1.209 59.143 58.000 -0.110 0.000 1.450 41 F CB -0.201 38.870 39.000 0.119 0.000 1.114 41 F HN 0.158 8.458 8.300 -0.000 0.000 0.587 42 D N -0.143 120.281 120.400 0.039 0.000 2.354 42 D HA 0.010 4.648 4.640 -0.003 0.000 0.209 42 D C 0.756 177.064 176.300 0.013 0.000 1.015 42 D CA 0.091 54.105 54.000 0.023 0.000 0.867 42 D CB 0.234 41.029 40.800 -0.009 0.000 0.933 42 D HN 0.012 8.382 8.370 -0.000 0.000 0.520 43 R N 1.227 121.696 120.500 -0.052 0.000 2.585 43 R HA 0.011 4.349 4.340 -0.003 0.000 0.275 43 R C 1.338 177.608 176.300 -0.051 0.000 1.018 43 R CA 0.613 56.681 56.100 -0.055 0.000 1.072 43 R CB 0.451 30.670 30.300 -0.136 0.000 0.953 43 R HN 0.331 8.601 8.270 -0.000 0.000 0.419 44 D N 2.317 122.709 120.400 -0.014 0.000 2.311 44 D HA -0.195 4.443 4.640 -0.003 0.000 0.212 44 D C 0.258 176.547 176.300 -0.019 0.000 0.972 44 D CA 1.270 55.267 54.000 -0.005 0.000 0.887 44 D CB 0.059 40.863 40.800 0.008 0.000 0.915 44 D HN 0.617 8.987 8.370 -0.000 0.000 0.497 45 D N 0.037 120.411 120.400 -0.045 0.000 2.369 45 D HA 0.014 4.652 4.640 -0.003 0.000 0.211 45 D C 1.711 177.961 176.300 -0.083 0.000 1.077 45 D CA -0.186 53.786 54.000 -0.046 0.000 0.842 45 D CB 0.420 41.201 40.800 -0.032 0.000 0.947 45 D HN 0.261 8.631 8.370 -0.000 0.000 0.509 46 V N 0.326 120.154 119.914 -0.143 0.000 2.840 46 V HA 0.378 4.496 4.120 -0.003 0.000 0.234 46 V C 1.035 177.101 176.094 -0.047 0.000 1.159 46 V CA 0.305 62.491 62.300 -0.190 0.000 1.194 46 V CB -0.654 30.846 31.823 -0.537 0.000 0.971 46 V HN 0.335 8.525 8.190 -0.000 0.000 0.494 47 A N 1.027 123.830 122.820 -0.029 0.000 2.251 47 A HA -0.199 4.119 4.320 -0.003 0.000 0.283 47 A C -0.135 177.505 177.584 0.093 0.000 1.415 47 A CA 0.841 52.901 52.037 0.039 0.000 0.742 47 A CB -1.840 17.184 19.000 0.041 0.000 1.151 47 A HN 0.486 8.636 8.150 -0.000 0.000 0.354 48 L N 1.488 122.795 121.223 0.141 0.000 2.470 48 L HA 0.232 4.570 4.340 -0.003 0.000 0.253 48 L C 1.341 178.312 176.870 0.169 0.000 1.163 48 L CA -0.914 54.029 54.840 0.171 0.000 0.932 48 L CB 0.954 43.117 42.059 0.174 0.000 1.213 48 L HN 0.394 8.624 8.230 -0.000 0.000 0.485 49 K N 0.629 121.073 120.400 0.073 0.000 2.089 49 K HA -0.157 4.161 4.320 -0.003 0.000 0.210 49 K C 1.349 177.939 176.600 -0.017 0.000 1.048 49 K CA 1.517 57.817 56.287 0.022 0.000 0.926 49 K CB 0.048 32.536 32.500 -0.020 0.000 0.714 49 K HN 0.523 8.773 8.250 -0.000 0.000 0.448 50 N N 0.011 118.669 118.700 -0.070 0.000 2.244 50 N HA -0.081 4.657 4.740 -0.003 0.000 0.183 50 N C 1.907 177.272 175.510 -0.240 0.000 1.016 50 N CA 0.796 53.734 53.050 -0.188 0.000 0.866 50 N CB -0.306 37.997 38.487 -0.306 0.000 0.980 50 N HN 0.127 8.507 8.380 -0.000 0.000 0.430 51 F N 1.691 121.464 119.950 -0.295 0.000 2.113 51 F HA -0.067 4.458 4.527 -0.003 0.000 0.297 51 F C 2.454 178.149 175.800 -0.175 0.000 1.103 51 F CA 1.075 58.799 58.000 -0.461 0.000 1.248 51 F CB -0.549 37.935 39.000 -0.860 0.000 0.999 51 F HN -0.002 8.298 8.300 -0.000 0.000 0.475 52 A N 0.091 123.034 122.820 0.205 0.000 1.865 52 A HA -0.291 4.027 4.320 -0.003 0.000 0.217 52 A C 2.245 179.859 177.584 0.050 0.000 1.191 52 A CA 2.181 54.340 52.037 0.203 0.000 0.623 52 A CB -0.898 18.157 19.000 0.092 0.000 0.826 52 A HN 0.383 8.533 8.150 -0.000 0.000 0.444 53 K N -1.826 118.555 120.400 -0.032 0.000 2.032 53 K HA -0.238 4.080 4.320 -0.003 0.000 0.209 53 K C 1.990 178.530 176.600 -0.101 0.000 1.048 53 K CA 1.896 58.134 56.287 -0.082 0.000 0.927 53 K CB -0.494 31.941 32.500 -0.109 0.000 0.712 53 K HN 0.486 8.736 8.250 -0.000 0.000 0.441 54 Y N 0.626 120.736 120.300 -0.317 0.000 2.053 54 Y HA -0.263 4.284 4.550 -0.004 0.000 0.277 54 Y C 1.762 177.437 175.900 -0.375 0.000 1.159 54 Y CA 2.250 60.075 58.100 -0.459 0.000 1.125 54 Y CB -0.587 37.400 38.460 -0.788 0.000 0.969 54 Y HN 0.079 8.359 8.280 -0.000 0.000 0.492 55 F N -1.129 118.761 119.950 -0.100 0.000 2.234 55 F HA -0.174 4.352 4.527 -0.003 0.000 0.299 55 F C 2.143 177.850 175.800 -0.156 0.000 1.087 55 F CA 0.548 58.425 58.000 -0.204 0.000 1.340 55 F CB -0.364 38.682 39.000 0.077 0.000 1.031 55 F HN 0.178 8.478 8.300 -0.000 0.000 0.500 56 L N -0.336 120.942 121.223 0.091 0.000 2.201 56 L HA -0.219 4.119 4.340 -0.003 0.000 0.212 56 L C 2.419 179.288 176.870 -0.002 0.000 1.105 56 L CA 1.795 56.694 54.840 0.098 0.000 0.775 56 L CB -1.054 41.023 42.059 0.030 0.000 0.913 56 L HN 0.210 8.440 8.230 -0.000 0.000 0.440 57 H N -1.157 117.773 119.070 -0.232 0.000 2.363 57 H HA -0.068 4.486 4.556 -0.003 0.000 0.301 57 H C 1.777 176.972 175.328 -0.221 0.000 1.074 57 H CA 1.323 57.202 56.048 -0.281 0.000 1.354 57 H CB 0.382 29.940 29.762 -0.339 0.000 1.397 57 H HN 0.379 8.659 8.280 -0.000 0.000 0.516 58 Q N 0.327 119.937 119.800 -0.316 0.000 2.226 58 Q HA -0.111 4.227 4.340 -0.003 0.000 0.204 58 Q C 2.461 178.386 176.000 -0.125 0.000 0.975 58 Q CA 1.111 56.657 55.803 -0.428 0.000 0.866 58 Q CB -0.349 27.724 28.738 -1.107 0.000 0.915 58 Q HN 0.343 8.613 8.270 -0.000 0.000 0.440 59 S N -0.297 115.429 115.700 0.044 0.000 2.368 59 S HA -0.157 4.311 4.470 -0.003 0.000 0.224 59 S C 1.636 176.328 174.600 0.153 0.000 1.029 59 S CA 1.012 59.364 58.200 0.254 0.000 0.988 59 S CB -0.038 63.350 63.200 0.314 0.000 0.838 59 S HN 0.430 8.740 8.310 -0.000 0.000 0.462 60 H N 1.284 120.299 119.070 -0.091 0.000 2.389 60 H HA 0.142 4.696 4.556 -0.003 0.000 0.299 60 H C 2.396 177.597 175.328 -0.211 0.000 1.081 60 H CA 1.557 57.518 56.048 -0.145 0.000 1.345 60 H CB -0.195 29.440 29.762 -0.212 0.000 1.393 60 H HN 0.351 8.631 8.280 -0.000 0.000 0.520 61 E N 0.626 120.715 120.200 -0.184 0.000 2.051 61 E HA -0.136 4.212 4.350 -0.003 0.000 0.192 61 E C 2.089 178.539 176.600 -0.251 0.000 0.991 61 E CA 0.764 56.993 56.400 -0.285 0.000 0.799 61 E CB 0.057 29.612 29.700 -0.243 0.000 0.748 61 E HN 0.502 8.862 8.360 -0.000 0.000 0.449 62 E N 0.552 120.786 120.200 0.056 0.000 2.110 62 E HA -0.173 4.175 4.350 -0.003 0.000 0.193 62 E C 2.065 178.754 176.600 0.149 0.000 0.988 62 E CA 0.556 57.106 56.400 0.250 0.000 0.804 62 E CB -0.259 29.636 29.700 0.324 0.000 0.745 62 E HN 0.122 8.482 8.360 -0.000 0.000 0.458 63 R N 0.578 121.110 120.500 0.054 0.000 2.092 63 R HA -0.077 4.261 4.340 -0.003 0.000 0.231 63 R C 2.250 178.554 176.300 0.007 0.000 1.119 63 R CA 1.004 57.119 56.100 0.025 0.000 0.970 63 R CB -0.718 29.553 30.300 -0.048 0.000 0.864 63 R HN 0.210 8.480 8.270 -0.000 0.000 0.440 64 C N 0.258 119.512 119.300 -0.077 0.000 2.422 64 C HA -0.066 4.392 4.460 -0.003 0.000 0.279 64 C C 2.593 177.569 174.990 -0.024 0.000 1.305 64 C CA 0.454 59.415 59.018 -0.095 0.000 1.757 64 C CB -1.166 26.458 27.740 -0.194 0.000 1.962 64 C HN 0.515 8.745 8.230 -0.000 0.000 0.499 65 H N 0.499 119.625 119.070 0.093 0.000 2.357 65 H HA -0.040 4.514 4.556 -0.003 0.000 0.301 65 H C 2.431 177.928 175.328 0.281 0.000 1.082 65 H CA 1.755 57.912 56.048 0.181 0.000 1.342 65 H CB -0.843 29.054 29.762 0.225 0.000 1.389 65 H HN 0.508 8.788 8.280 -0.000 0.000 0.511 66 A N 1.459 124.470 122.820 0.317 0.000 1.865 66 A HA -0.221 4.097 4.320 -0.003 0.000 0.217 66 A C 2.306 180.001 177.584 0.185 0.000 1.191 66 A CA 1.963 54.136 52.037 0.227 0.000 0.623 66 A CB -0.532 18.559 19.000 0.151 0.000 0.826 66 A HN 0.513 8.663 8.150 -0.000 0.000 0.444 67 E N -0.149 120.135 120.200 0.140 0.000 2.160 67 E HA -0.192 4.156 4.350 -0.003 0.000 0.195 67 E C 1.931 178.622 176.600 0.151 0.000 0.991 67 E CA 1.245 57.710 56.400 0.108 0.000 0.810 67 E CB -0.148 29.590 29.700 0.064 0.000 0.742 67 E HN 0.547 8.907 8.360 -0.000 0.000 0.466 68 K N 0.240 120.780 120.400 0.233 0.000 2.155 68 K HA -0.076 4.242 4.320 -0.003 0.000 0.203 68 K C 2.011 178.832 176.600 0.368 0.000 1.052 68 K CA 0.438 56.915 56.287 0.317 0.000 0.948 68 K CB -0.002 32.736 32.500 0.396 0.000 0.728 68 K HN 0.078 8.328 8.250 -0.000 0.000 0.448 69 L N 1.230 122.657 121.223 0.340 0.000 2.056 69 L HA -0.047 4.291 4.340 -0.003 0.000 0.207 69 L C 2.229 179.139 176.870 0.067 0.000 1.078 69 L CA 1.583 56.540 54.840 0.194 0.000 0.749 69 L CB -0.662 41.496 42.059 0.164 0.000 0.901 69 L HN 0.190 8.420 8.230 -0.000 0.000 0.433 70 M N -1.172 118.478 119.600 0.083 0.000 2.229 70 M HA -0.233 4.245 4.480 -0.003 0.000 0.264 70 M C 2.182 178.488 176.300 0.008 0.000 1.063 70 M CA 1.383 56.703 55.300 0.033 0.000 1.114 70 M CB -0.355 32.266 32.600 0.035 0.000 1.387 70 M HN 0.174 8.464 8.290 -0.000 0.000 0.420 71 K N 0.840 121.265 120.400 0.042 0.000 2.057 71 K HA -0.175 4.143 4.320 -0.003 0.000 0.206 71 K C 1.955 178.536 176.600 -0.033 0.000 1.050 71 K CA 1.053 57.358 56.287 0.029 0.000 0.935 71 K CB -0.085 32.470 32.500 0.091 0.000 0.715 71 K HN 0.149 8.399 8.250 -0.000 0.000 0.439 72 L N 1.784 122.959 121.223 -0.081 0.000 2.017 72 L HA -0.194 4.144 4.340 -0.003 0.000 0.208 72 L C 2.445 179.149 176.870 -0.276 0.000 1.073 72 L CA 1.810 56.471 54.840 -0.299 0.000 0.745 72 L CB -0.731 40.895 42.059 -0.723 0.000 0.894 72 L HN 0.230 8.460 8.230 -0.000 0.000 0.432 73 Q N -0.053 119.645 119.800 -0.171 0.000 2.077 73 Q HA -0.246 4.092 4.340 -0.003 0.000 0.206 73 Q C 2.039 177.942 176.000 -0.162 0.000 0.989 73 Q CA 2.306 58.036 55.803 -0.122 0.000 0.853 73 Q CB -0.391 28.332 28.738 -0.024 0.000 0.907 73 Q HN 0.565 8.835 8.270 -0.000 0.000 0.418 74 N N -0.290 118.338 118.700 -0.120 0.000 2.309 74 N HA -0.115 4.623 4.740 -0.003 0.000 0.182 74 N C 1.573 176.997 175.510 -0.142 0.000 1.018 74 N CA 1.035 54.019 53.050 -0.110 0.000 0.876 74 N CB -0.112 38.332 38.487 -0.072 0.000 0.972 74 N HN 0.445 8.825 8.380 -0.000 0.000 0.434 75 Q N 0.228 119.927 119.800 -0.168 0.000 2.124 75 Q HA 0.022 4.360 4.340 -0.003 0.000 0.202 75 Q C 1.035 176.874 176.000 -0.268 0.000 0.977 75 Q CA 1.031 56.728 55.803 -0.176 0.000 0.850 75 Q CB 0.024 28.674 28.738 -0.146 0.000 0.901 75 Q HN 0.283 8.553 8.270 -0.000 0.000 0.429 76 R N -0.927 119.318 120.500 -0.424 0.000 2.466 76 R HA 0.140 4.478 4.340 -0.003 0.000 0.279 76 R C 0.675 176.705 176.300 -0.450 0.000 0.976 76 R CA 0.460 56.216 56.100 -0.573 0.000 1.081 76 R CB 0.758 30.435 30.300 -1.039 0.000 1.215 76 R HN 0.386 8.656 8.270 -0.000 0.000 0.546 77 G N 0.152 108.801 108.800 -0.252 0.000 2.225 77 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.254 77 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.254 77 G C 0.574 175.472 174.900 -0.003 0.000 0.988 77 G CA -0.130 44.911 45.100 -0.097 0.000 0.625 77 G HN 0.555 8.845 8.290 -0.000 0.000 0.527 78 G N -0.400 108.407 108.800 0.012 0.000 2.699 78 G HA2 0.458 4.416 3.960 -0.003 0.000 0.246 78 G HA3 0.458 4.416 3.960 -0.003 0.000 0.246 78 G C 0.030 174.981 174.900 0.085 0.000 1.219 78 G CA -0.201 45.035 45.100 0.227 0.000 0.866 78 G HN 0.392 8.682 8.290 -0.000 0.000 0.572 79 R N -0.393 120.171 120.500 0.106 0.000 2.534 79 R HA 0.341 4.679 4.340 -0.003 0.000 0.301 79 R C -0.218 176.034 176.300 -0.081 0.000 0.961 79 R CA -0.754 55.333 56.100 -0.021 0.000 0.871 79 R CB 1.779 32.076 30.300 -0.004 0.000 1.170 79 R HN 0.451 8.721 8.270 -0.000 0.000 0.446 80 I N 3.069 123.504 120.570 -0.225 0.000 2.529 80 I HA 0.224 4.392 4.170 -0.003 0.000 0.284 80 I C -0.281 175.541 176.117 -0.492 0.000 1.082 80 I CA 0.248 61.427 61.300 -0.201 0.000 1.406 80 I CB 0.373 38.289 38.000 -0.139 0.000 1.405 80 I HN 0.322 8.532 8.210 -0.000 0.000 0.548 81 F N 6.188 126.144 119.950 0.010 0.000 2.612 81 F HA 0.431 4.956 4.527 -0.003 0.000 0.332 81 F C -0.295 175.509 175.800 0.006 0.000 1.167 81 F CA -0.473 57.530 58.000 0.005 0.000 0.970 81 F CB 1.204 40.205 39.000 0.002 0.000 1.234 81 F HN 0.160 8.460 8.300 -0.000 0.000 0.453 82 L N 3.982 125.279 121.223 0.124 0.000 2.399 82 L HA 0.497 4.835 4.340 -0.003 0.000 0.266 82 L C -0.244 176.679 176.870 0.089 0.000 1.114 82 L CA -0.728 54.161 54.840 0.083 0.000 0.804 82 L CB 0.881 42.961 42.059 0.036 0.000 1.146 82 L HN 0.464 8.694 8.230 -0.000 0.000 0.451 83 Q N 0.428 120.266 119.800 0.063 0.000 2.458 83 Q HA 0.345 4.683 4.340 -0.003 0.000 0.282 83 Q C -1.317 174.703 176.000 0.034 0.000 1.106 83 Q CA -1.003 54.829 55.803 0.048 0.000 0.814 83 Q CB 1.780 30.542 28.738 0.041 0.000 1.425 83 Q HN 0.442 8.712 8.270 -0.000 0.000 0.437 84 D N 0.844 121.261 120.400 0.028 0.000 2.443 84 D HA 0.055 4.693 4.640 -0.003 0.000 0.234 84 D C -0.064 176.258 176.300 0.037 0.000 1.172 84 D CA 0.668 54.683 54.000 0.025 0.000 0.878 84 D CB 0.518 41.336 40.800 0.030 0.000 1.204 84 D HN 0.293 8.663 8.370 -0.000 0.000 0.453 85 I N 2.270 122.858 120.570 0.030 0.000 2.337 85 I HA 0.072 4.240 4.170 -0.003 0.000 0.285 85 I C 0.628 176.852 176.117 0.179 0.000 1.041 85 I CA -0.795 60.550 61.300 0.075 0.000 1.199 85 I CB 0.494 38.456 38.000 -0.063 0.000 1.370 85 I HN -0.082 8.128 8.210 -0.000 0.000 0.470 86 K N 6.747 127.290 120.400 0.237 0.000 2.436 86 K HA 0.086 4.404 4.320 -0.003 0.000 0.275 86 K C 0.148 177.045 176.600 0.494 0.000 0.999 86 K CA -0.351 56.097 56.287 0.269 0.000 0.980 86 K CB 0.625 33.198 32.500 0.122 0.000 0.919 86 K HN 0.575 8.825 8.250 -0.000 0.000 0.484 87 K N 2.029 122.654 120.400 0.376 0.000 2.319 87 K HA 0.186 4.504 4.320 -0.003 0.000 0.265 87 K C -2.457 174.286 176.600 0.240 0.000 1.000 87 K CA -1.406 55.054 56.287 0.289 0.000 0.943 87 K CB -0.308 32.281 32.500 0.148 0.000 0.950 87 K HN 0.175 8.425 8.250 -0.000 0.000 0.485 88 P HA -0.024 4.396 4.420 -0.000 0.000 0.270 88 P C 0.040 177.394 177.300 0.090 0.000 1.223 88 P CA -0.271 62.891 63.100 0.103 0.000 0.785 88 P CB 0.446 32.190 31.700 0.073 0.000 0.923 89 D N 0.659 121.127 120.400 0.113 0.000 2.116 89 D HA -0.134 4.504 4.640 -0.003 0.000 0.193 89 D C 0.593 176.754 176.300 -0.232 0.000 0.998 89 D CA 1.684 55.666 54.000 -0.031 0.000 0.836 89 D CB 0.237 41.028 40.800 -0.016 0.000 0.951 89 D HN 0.381 8.751 8.370 -0.000 0.000 0.449 90 R N -0.730 119.458 120.500 -0.519 0.000 2.930 90 R HA 0.353 4.691 4.340 -0.003 0.000 0.257 90 R C 0.281 176.182 176.300 -0.664 0.000 1.107 90 R CA -0.637 55.030 56.100 -0.721 0.000 0.999 90 R CB 1.217 30.840 30.300 -1.129 0.000 1.209 90 R HN -0.189 8.081 8.270 -0.000 0.000 0.486 91 D N -0.843 119.222 120.400 -0.560 0.000 2.473 91 D HA 0.005 4.643 4.640 -0.003 0.000 0.230 91 D C -0.594 175.462 176.300 -0.406 0.000 1.097 91 D CA 0.594 54.394 54.000 -0.332 0.000 0.861 91 D CB 0.832 41.525 40.800 -0.179 0.000 1.114 91 D HN 0.369 8.739 8.370 -0.000 0.000 0.500 92 D N -0.490 119.522 120.400 -0.647 0.000 2.492 92 D HA 0.102 4.740 4.640 -0.003 0.000 0.248 92 D C -0.429 175.228 176.300 -1.071 0.000 1.101 92 D CA -0.576 53.001 54.000 -0.705 0.000 0.840 92 D CB 1.095 41.690 40.800 -0.341 0.000 1.209 92 D HN -0.074 8.296 8.370 -0.000 0.000 0.524 93 W N 3.278 123.759 121.300 -1.365 0.000 3.316 93 W HA 0.185 4.844 4.660 -0.003 0.000 0.327 93 W C 1.429 177.664 176.519 -0.475 0.000 1.232 93 W CA -0.246 56.616 57.345 -0.805 0.000 1.805 93 W CB 0.329 29.384 29.460 -0.675 0.000 1.090 93 W HN 0.595 8.775 8.180 -0.000 0.000 0.654 94 E N -0.854 119.170 120.200 -0.294 0.000 4.120 94 E HA -0.300 4.048 4.350 -0.003 0.000 0.191 94 E C 0.605 177.333 176.600 0.213 0.000 1.227 94 E CA 1.931 58.350 56.400 0.033 0.000 2.327 94 E CB -1.626 28.085 29.700 0.018 0.000 1.820 94 E HN 0.216 8.576 8.360 -0.000 0.000 0.383 95 S N -1.094 114.749 115.700 0.238 0.000 2.685 95 S HA 0.633 5.101 4.470 -0.003 0.000 0.282 95 S C 0.921 175.748 174.600 0.379 0.000 1.159 95 S CA -0.312 58.049 58.200 0.268 0.000 0.833 95 S CB 1.568 64.858 63.200 0.151 0.000 1.151 95 S HN 0.456 8.766 8.310 -0.000 0.000 0.485 96 G N 0.400 109.311 108.800 0.186 0.000 2.446 96 G HA2 -0.130 3.829 3.960 -0.003 0.000 0.217 96 G HA3 -0.130 3.829 3.960 -0.003 0.000 0.217 96 G C 1.207 176.256 174.900 0.249 0.000 1.168 96 G CA 1.083 46.155 45.100 -0.047 0.000 0.771 96 G HN 0.694 8.984 8.290 -0.000 0.000 0.551 97 L N 1.313 122.626 121.223 0.149 0.000 2.013 97 L HA -0.096 4.242 4.340 -0.003 0.000 0.212 97 L C 2.299 179.279 176.870 0.182 0.000 1.073 97 L CA 2.563 57.478 54.840 0.125 0.000 0.753 97 L CB -0.898 41.200 42.059 0.065 0.000 0.890 97 L HN 0.290 8.520 8.230 -0.000 0.000 0.432 98 N N -0.444 118.377 118.700 0.201 0.000 2.084 98 N HA -0.151 4.587 4.740 -0.003 0.000 0.190 98 N C 1.805 177.483 175.510 0.279 0.000 1.030 98 N CA 1.662 54.838 53.050 0.210 0.000 0.849 98 N CB -0.309 38.288 38.487 0.182 0.000 1.012 98 N HN 0.498 8.878 8.380 -0.000 0.000 0.423 99 A N 0.289 123.331 122.820 0.369 0.000 1.933 99 A HA -0.123 4.195 4.320 -0.003 0.000 0.218 99 A C 2.163 179.929 177.584 0.304 0.000 1.175 99 A CA 1.298 53.510 52.037 0.291 0.000 0.628 99 A CB -0.483 18.779 19.000 0.436 0.000 0.814 99 A HN 0.282 8.432 8.150 -0.000 0.000 0.444 100 M N -0.236 119.620 119.600 0.426 0.000 2.117 100 M HA -0.139 4.339 4.480 -0.003 0.000 0.262 100 M C 1.911 178.381 176.300 0.283 0.000 1.065 100 M CA 1.595 57.142 55.300 0.411 0.000 1.114 100 M CB -1.461 31.326 32.600 0.311 0.000 1.361 100 M HN 0.554 8.844 8.290 -0.000 0.000 0.408 101 E N 0.043 120.374 120.200 0.217 0.000 2.150 101 E HA -0.096 4.252 4.350 -0.003 0.000 0.193 101 E C 2.066 178.768 176.600 0.170 0.000 0.985 101 E CA 1.134 57.635 56.400 0.167 0.000 0.814 101 E CB -0.128 29.653 29.700 0.135 0.000 0.752 101 E HN 0.494 8.854 8.360 -0.000 0.000 0.466 102 A N 1.636 124.570 122.820 0.189 0.000 1.898 102 A HA -0.060 4.258 4.320 -0.003 0.000 0.216 102 A C 2.417 180.076 177.584 0.125 0.000 1.181 102 A CA 1.538 53.681 52.037 0.176 0.000 0.620 102 A CB -0.597 18.549 19.000 0.244 0.000 0.819 102 A HN 0.282 8.432 8.150 -0.000 0.000 0.442 103 A N -0.406 122.509 122.820 0.159 0.000 1.933 103 A HA -0.030 4.288 4.320 -0.003 0.000 0.218 103 A C 2.119 179.849 177.584 0.242 0.000 1.175 103 A CA 1.728 53.913 52.037 0.248 0.000 0.628 103 A CB -0.635 18.705 19.000 0.566 0.000 0.814 103 A HN 0.741 8.891 8.150 -0.000 0.000 0.444 104 L N -0.672 120.687 121.223 0.226 0.000 2.012 104 L HA -0.204 4.134 4.340 -0.003 0.000 0.210 104 L C 2.332 179.283 176.870 0.136 0.000 1.073 104 L CA 2.332 57.278 54.840 0.178 0.000 0.748 104 L CB -0.738 41.410 42.059 0.148 0.000 0.891 104 L HN 0.325 8.555 8.230 -0.000 0.000 0.431 105 Q N -0.611 119.262 119.800 0.122 0.000 2.050 105 Q HA -0.189 4.149 4.340 -0.003 0.000 0.202 105 Q C 2.294 178.352 176.000 0.095 0.000 0.980 105 Q CA 1.967 57.831 55.803 0.101 0.000 0.840 105 Q CB -0.870 27.928 28.738 0.101 0.000 0.898 105 Q HN 0.534 8.804 8.270 -0.000 0.000 0.424 106 L N 1.560 122.835 121.223 0.085 0.000 2.013 106 L HA -0.207 4.131 4.340 -0.003 0.000 0.212 106 L C 2.028 178.944 176.870 0.076 0.000 1.073 106 L CA 1.933 56.806 54.840 0.054 0.000 0.753 106 L CB -0.578 41.437 42.059 -0.074 0.000 0.890 106 L HN 0.103 8.333 8.230 -0.000 0.000 0.432 107 E N 0.218 120.483 120.200 0.109 0.000 2.038 107 E HA -0.249 4.099 4.350 -0.003 0.000 0.195 107 E C 2.226 178.889 176.600 0.104 0.000 1.000 107 E CA 1.544 58.023 56.400 0.131 0.000 0.803 107 E CB -0.302 29.500 29.700 0.170 0.000 0.750 107 E HN 0.568 8.928 8.360 -0.000 0.000 0.448 108 K N 0.506 120.962 120.400 0.094 0.000 2.211 108 K HA -0.108 4.210 4.320 -0.003 0.000 0.204 108 K C 1.927 178.569 176.600 0.070 0.000 1.047 108 K CA 1.137 57.469 56.287 0.075 0.000 0.935 108 K CB -0.170 32.371 32.500 0.069 0.000 0.728 108 K HN 0.184 8.434 8.250 -0.000 0.000 0.452 109 N N -0.000 118.746 118.700 0.077 0.000 2.135 109 N HA -0.120 4.618 4.740 -0.003 0.000 0.186 109 N C 1.737 177.292 175.510 0.074 0.000 1.027 109 N CA 0.929 54.023 53.050 0.072 0.000 0.849 109 N CB 0.073 38.609 38.487 0.083 0.000 1.002 109 N HN -0.100 8.280 8.380 -0.000 0.000 0.425 110 V N 1.697 121.665 119.914 0.090 0.000 2.332 110 V HA -0.235 3.883 4.120 -0.003 0.000 0.248 110 V C 2.017 178.158 176.094 0.080 0.000 1.055 110 V CA 1.597 63.954 62.300 0.094 0.000 1.038 110 V CB -0.740 31.152 31.823 0.116 0.000 0.651 110 V HN 0.368 8.558 8.190 -0.000 0.000 0.450 111 N N 0.363 119.109 118.700 0.077 0.000 2.084 111 N HA -0.241 4.497 4.740 -0.003 0.000 0.190 111 N C 1.889 177.430 175.510 0.053 0.000 1.030 111 N CA 1.890 54.980 53.050 0.066 0.000 0.849 111 N CB -0.309 38.215 38.487 0.060 0.000 1.012 111 N HN 0.526 8.906 8.380 -0.000 0.000 0.423 112 Q N -0.120 119.710 119.800 0.050 0.000 2.112 112 Q HA -0.120 4.218 4.340 -0.003 0.000 0.206 112 Q C 2.062 178.086 176.000 0.039 0.000 0.987 112 Q CA 2.107 57.935 55.803 0.042 0.000 0.858 112 Q CB -0.804 27.959 28.738 0.041 0.000 0.905 112 Q HN 0.332 8.602 8.270 -0.000 0.000 0.420 113 S N -1.259 114.466 115.700 0.042 0.000 2.371 113 S HA 0.020 4.488 4.470 -0.003 0.000 0.224 113 S C 1.723 176.343 174.600 0.033 0.000 1.029 113 S CA 0.815 59.036 58.200 0.034 0.000 0.978 113 S CB -0.207 63.014 63.200 0.036 0.000 0.833 113 S HN 0.482 8.792 8.310 -0.000 0.000 0.466 114 L N 1.085 122.331 121.223 0.038 0.000 2.017 114 L HA -0.096 4.242 4.340 -0.003 0.000 0.208 114 L C 2.401 179.311 176.870 0.067 0.000 1.073 114 L CA 1.108 55.970 54.840 0.036 0.000 0.745 114 L CB -0.609 41.481 42.059 0.052 0.000 0.894 114 L HN 0.325 8.555 8.230 -0.000 0.000 0.432 115 L N -0.369 120.888 121.223 0.057 0.000 2.042 115 L HA -0.246 4.092 4.340 -0.003 0.000 0.210 115 L C 2.591 179.514 176.870 0.088 0.000 1.076 115 L CA 1.481 56.357 54.840 0.061 0.000 0.749 115 L CB -0.510 41.569 42.059 0.033 0.000 0.893 115 L HN 0.308 8.538 8.230 -0.000 0.000 0.432 116 E N -0.256 119.980 120.200 0.060 0.000 2.077 116 E HA -0.259 4.089 4.350 -0.003 0.000 0.193 116 E C 2.071 178.702 176.600 0.051 0.000 0.989 116 E CA 0.985 57.414 56.400 0.049 0.000 0.800 116 E CB -0.217 29.500 29.700 0.029 0.000 0.746 116 E HN 0.220 8.580 8.360 -0.000 0.000 0.452 117 L N 1.130 122.382 121.223 0.049 0.000 2.127 117 L HA -0.197 4.141 4.340 -0.003 0.000 0.211 117 L C 2.159 179.063 176.870 0.056 0.000 1.089 117 L CA 1.891 56.751 54.840 0.033 0.000 0.757 117 L CB -0.660 41.408 42.059 0.015 0.000 0.899 117 L HN 0.252 8.482 8.230 -0.000 0.000 0.434 118 H N -0.880 118.197 119.070 0.010 0.000 2.436 118 H HA -0.068 4.486 4.556 -0.003 0.000 0.294 118 H C 2.006 177.346 175.328 0.019 0.000 1.048 118 H CA 0.967 57.028 56.048 0.023 0.000 1.353 118 H CB 0.404 30.186 29.762 0.032 0.000 1.414 118 H HN 0.184 8.464 8.280 -0.000 0.000 0.536 119 K N 1.159 121.644 120.400 0.141 0.000 2.097 119 K HA -0.094 4.224 4.320 -0.003 0.000 0.205 119 K C 2.292 178.895 176.600 0.005 0.000 1.050 119 K CA 0.605 56.943 56.287 0.085 0.000 0.938 119 K CB -0.530 32.015 32.500 0.075 0.000 0.718 119 K HN 0.319 8.569 8.250 -0.000 0.000 0.442 120 L N 0.939 122.157 121.223 -0.009 0.000 2.027 120 L HA -0.007 4.331 4.340 -0.003 0.000 0.206 120 L C 2.204 179.037 176.870 -0.062 0.000 1.074 120 L CA 2.175 56.995 54.840 -0.033 0.000 0.745 120 L CB -1.015 41.023 42.059 -0.034 0.000 0.898 120 L HN 0.124 8.354 8.230 -0.000 0.000 0.433 121 A N -1.368 121.397 122.820 -0.092 0.000 1.940 121 A HA -0.206 4.112 4.320 -0.003 0.000 0.219 121 A C 2.249 179.758 177.584 -0.124 0.000 1.176 121 A CA 2.320 54.290 52.037 -0.113 0.000 0.631 121 A CB -1.247 17.659 19.000 -0.156 0.000 0.814 121 A HN 0.537 8.687 8.150 -0.000 0.000 0.446 122 T N 0.138 114.594 114.554 -0.163 0.000 2.777 122 T HA -0.113 4.235 4.350 -0.003 0.000 0.266 122 T C 1.493 176.166 174.700 -0.046 0.000 1.040 122 T CA 1.477 63.514 62.100 -0.105 0.000 1.141 122 T CB -0.375 68.455 68.868 -0.064 0.000 0.868 122 T HN 0.468 8.708 8.240 -0.000 0.000 0.444 123 D N 1.138 121.516 120.400 -0.037 0.000 2.117 123 D HA -0.039 4.599 4.640 -0.003 0.000 0.198 123 D C 1.849 178.133 176.300 -0.027 0.000 0.982 123 D CA 0.912 54.898 54.000 -0.024 0.000 0.828 123 D CB -0.093 40.695 40.800 -0.021 0.000 0.967 123 D HN 0.195 8.565 8.370 -0.000 0.000 0.464 124 K N 1.220 121.598 120.400 -0.037 0.000 2.522 124 K HA 0.031 4.349 4.320 -0.003 0.000 0.194 124 K C -0.077 176.510 176.600 -0.022 0.000 1.026 124 K CA -0.190 56.076 56.287 -0.035 0.000 1.119 124 K CB -0.460 32.009 32.500 -0.052 0.000 0.856 124 K HN 0.132 8.382 8.250 -0.000 0.000 0.513 125 N N 2.783 121.471 118.700 -0.020 0.000 2.669 125 N HA -0.207 4.531 4.740 -0.003 0.000 0.266 125 N C -0.774 174.739 175.510 0.005 0.000 1.024 125 N CA 0.819 53.864 53.050 -0.008 0.000 0.766 125 N CB -0.623 37.864 38.487 -0.000 0.000 0.898 125 N HN 0.302 8.682 8.380 -0.000 0.000 0.548 126 D N 0.311 120.712 120.400 0.001 0.000 2.434 126 D HA 0.220 4.858 4.640 -0.003 0.000 0.275 126 D C -1.135 175.190 176.300 0.041 0.000 1.172 126 D CA -1.946 52.078 54.000 0.040 0.000 0.916 126 D CB 1.005 41.839 40.800 0.058 0.000 1.041 126 D HN 0.131 8.501 8.370 -0.000 0.000 0.501 127 P HA -0.230 4.190 4.420 -0.000 0.000 0.216 127 P C 1.434 178.786 177.300 0.087 0.000 1.150 127 P CA 1.082 64.215 63.100 0.055 0.000 0.843 127 P CB 0.111 31.850 31.700 0.064 0.000 0.787 128 H N 0.263 119.362 119.070 0.048 0.000 2.353 128 H HA -0.111 4.443 4.556 -0.003 0.000 0.300 128 H C 1.926 177.311 175.328 0.095 0.000 1.090 128 H CA 1.234 57.323 56.048 0.068 0.000 1.327 128 H CB -0.482 29.304 29.762 0.039 0.000 1.383 128 H HN -0.022 8.258 8.280 -0.000 0.000 0.508 129 L N 0.724 122.014 121.223 0.110 0.000 2.093 129 L HA -0.108 4.230 4.340 -0.003 0.000 0.208 129 L C 2.732 179.627 176.870 0.042 0.000 1.085 129 L CA 1.287 56.167 54.840 0.065 0.000 0.755 129 L CB -1.116 41.007 42.059 0.106 0.000 0.904 129 L HN 0.329 8.559 8.230 -0.000 0.000 0.435 130 C N -0.405 118.886 119.300 -0.014 0.000 2.429 130 C HA -0.148 4.310 4.460 -0.003 0.000 0.277 130 C C 2.491 177.584 174.990 0.172 0.000 1.262 130 C CA 1.117 60.108 59.018 -0.043 0.000 1.733 130 C CB -0.947 26.692 27.740 -0.167 0.000 2.010 130 C HN 0.666 8.896 8.230 -0.000 0.000 0.483 131 D N -0.563 119.895 120.400 0.096 0.000 2.144 131 D HA -0.140 4.498 4.640 -0.003 0.000 0.200 131 D C 1.846 178.217 176.300 0.118 0.000 0.978 131 D CA 0.854 54.913 54.000 0.099 0.000 0.833 131 D CB -0.297 40.530 40.800 0.046 0.000 0.961 131 D HN 0.484 8.854 8.370 -0.000 0.000 0.470 132 F N 0.512 120.390 119.950 -0.120 0.000 2.171 132 F HA -0.072 4.453 4.527 -0.003 0.000 0.300 132 F C 1.877 177.739 175.800 0.104 0.000 1.090 132 F CA 1.249 59.172 58.000 -0.129 0.000 1.293 132 F CB 0.001 38.829 39.000 -0.287 0.000 1.013 132 F HN 0.006 8.306 8.300 -0.000 0.000 0.486 133 I N -0.243 120.537 120.570 0.350 0.000 2.406 133 I HA -0.190 3.978 4.170 -0.003 0.000 0.249 133 I C 2.141 178.414 176.117 0.259 0.000 1.122 133 I CA 1.094 62.589 61.300 0.324 0.000 1.431 133 I CB -0.483 37.691 38.000 0.291 0.000 1.087 133 I HN 0.146 8.356 8.210 -0.000 0.000 0.424 134 E N 0.498 120.825 120.200 0.212 0.000 2.031 134 E HA -0.171 4.178 4.350 -0.003 0.000 0.193 134 E C 2.145 178.795 176.600 0.082 0.000 0.994 134 E CA 1.936 58.401 56.400 0.108 0.000 0.800 134 E CB -0.085 29.676 29.700 0.102 0.000 0.752 134 E HN 0.396 8.756 8.360 -0.000 0.000 0.447 135 T N -0.074 114.541 114.554 0.102 0.000 2.732 135 T HA -0.104 4.244 4.350 -0.003 0.000 0.261 135 T C 1.447 176.111 174.700 -0.060 0.000 1.040 135 T CA 1.450 63.569 62.100 0.032 0.000 1.145 135 T CB -0.256 68.654 68.868 0.069 0.000 0.866 135 T HN 0.207 8.447 8.240 -0.000 0.000 0.427 136 H N -0.998 117.967 119.070 -0.175 0.000 2.544 136 H HA 0.241 4.795 4.556 -0.003 0.000 0.269 136 H C 0.957 176.027 175.328 -0.430 0.000 0.970 136 H CA 0.521 56.381 56.048 -0.313 0.000 1.219 136 H CB 0.088 29.525 29.762 -0.541 0.000 1.421 136 H HN 0.421 8.701 8.280 -0.000 0.000 0.555 137 Y N -1.261 119.031 120.300 -0.013 0.000 2.846 137 Y HA 0.168 4.717 4.550 -0.003 0.000 0.258 137 Y C 2.001 177.873 175.900 -0.046 0.000 1.077 137 Y CA -0.217 57.851 58.100 -0.054 0.000 1.270 137 Y CB -0.162 38.285 38.460 -0.021 0.000 1.476 137 Y HN -0.084 8.196 8.280 -0.000 0.000 0.460 138 L N 0.593 121.898 121.223 0.137 0.000 2.043 138 L HA -0.291 4.047 4.340 -0.003 0.000 0.212 138 L C 1.780 178.660 176.870 0.016 0.000 1.075 138 L CA 1.980 56.852 54.840 0.053 0.000 0.752 138 L CB -0.658 41.406 42.059 0.009 0.000 0.891 138 L HN 0.402 8.632 8.230 -0.000 0.000 0.432 139 N N -0.614 118.085 118.700 -0.002 0.000 2.084 139 N HA -0.180 4.558 4.740 -0.003 0.000 0.190 139 N C 1.919 177.419 175.510 -0.018 0.000 1.030 139 N CA 1.604 54.643 53.050 -0.018 0.000 0.849 139 N CB -0.130 38.335 38.487 -0.036 0.000 1.012 139 N HN 0.368 8.748 8.380 -0.000 0.000 0.423 140 C N 1.061 120.341 119.300 -0.034 0.000 2.422 140 C HA -0.034 4.424 4.460 -0.003 0.000 0.279 140 C C 2.714 177.709 174.990 0.008 0.000 1.305 140 C CA 0.372 59.377 59.018 -0.022 0.000 1.757 140 C CB -0.826 26.881 27.740 -0.055 0.000 1.962 140 C HN 0.469 8.699 8.230 -0.000 0.000 0.499 141 Q N 0.415 120.221 119.800 0.011 0.000 2.046 141 Q HA -0.094 4.244 4.340 -0.003 0.000 0.200 141 Q C 2.518 178.542 176.000 0.039 0.000 0.975 141 Q CA 1.300 57.127 55.803 0.040 0.000 0.836 141 Q CB -0.843 27.925 28.738 0.051 0.000 0.896 141 Q HN 0.569 8.839 8.270 -0.000 0.000 0.428 142 V N 0.446 120.373 119.914 0.023 0.000 2.287 142 V HA -0.330 3.788 4.120 -0.003 0.000 0.248 142 V C 2.575 178.679 176.094 0.016 0.000 1.053 142 V CA 1.760 64.070 62.300 0.017 0.000 1.027 142 V CB -0.787 31.039 31.823 0.005 0.000 0.646 142 V HN 0.357 8.547 8.190 -0.000 0.000 0.447 143 C N 0.127 119.434 119.300 0.012 0.000 2.413 143 C HA -0.160 4.298 4.460 -0.003 0.000 0.277 143 C C 3.121 178.125 174.990 0.023 0.000 1.228 143 C CA 0.983 60.006 59.018 0.008 0.000 1.731 143 C CB -1.408 26.334 27.740 0.003 0.000 2.042 143 C HN 0.651 8.881 8.230 -0.000 0.000 0.468 144 A N 0.084 122.934 122.820 0.050 0.000 1.940 144 A HA -0.145 4.173 4.320 -0.003 0.000 0.219 144 A C 1.990 179.627 177.584 0.089 0.000 1.176 144 A CA 1.750 53.839 52.037 0.086 0.000 0.631 144 A CB -0.611 18.464 19.000 0.125 0.000 0.814 144 A HN 0.653 8.803 8.150 -0.000 0.000 0.446 145 I N -0.959 119.654 120.570 0.072 0.000 2.252 145 I HA -0.201 3.967 4.170 -0.003 0.000 0.245 145 I C 2.486 178.621 176.117 0.030 0.000 1.102 145 I CA 1.711 63.051 61.300 0.068 0.000 1.385 145 I CB -0.169 37.867 38.000 0.060 0.000 1.064 145 I HN 0.250 8.460 8.210 -0.000 0.000 0.414 146 K N 0.758 121.162 120.400 0.007 0.000 2.097 146 K HA -0.155 4.163 4.320 -0.003 0.000 0.205 146 K C 2.160 178.713 176.600 -0.078 0.000 1.050 146 K CA 1.566 57.839 56.287 -0.024 0.000 0.938 146 K CB -0.763 31.724 32.500 -0.022 0.000 0.718 146 K HN 0.271 8.521 8.250 -0.000 0.000 0.442 147 C N 0.098 119.345 119.300 -0.089 0.000 2.432 147 C HA 0.022 4.480 4.460 -0.003 0.000 0.277 147 C C 2.444 177.177 174.990 -0.428 0.000 1.249 147 C CA 0.699 59.580 59.018 -0.229 0.000 1.725 147 C CB -0.947 26.746 27.740 -0.078 0.000 2.028 147 C HN 0.538 8.768 8.230 -0.000 0.000 0.477 148 L N 0.205 121.370 121.223 -0.097 0.000 2.141 148 L HA 0.021 4.359 4.340 -0.003 0.000 0.209 148 L C 2.738 179.621 176.870 0.021 0.000 1.094 148 L CA 1.500 56.375 54.840 0.059 0.000 0.763 148 L CB -0.985 41.200 42.059 0.210 0.000 0.908 148 L HN 0.529 8.759 8.230 -0.000 0.000 0.437 149 G N -0.092 108.701 108.800 -0.012 0.000 2.421 149 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.216 149 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.216 149 G C 1.083 175.969 174.900 -0.023 0.000 1.171 149 G CA 0.903 46.005 45.100 0.003 0.000 0.775 149 G HN 0.291 8.581 8.290 -0.000 0.000 0.543 150 D N 0.193 120.538 120.400 -0.091 0.000 2.123 150 D HA -0.092 4.546 4.640 -0.003 0.000 0.196 150 D C 2.247 178.555 176.300 0.012 0.000 0.992 150 D CA 0.977 54.934 54.000 -0.072 0.000 0.833 150 D CB -0.426 40.294 40.800 -0.132 0.000 0.954 150 D HN 0.317 8.687 8.370 -0.000 0.000 0.455 151 H N 0.216 119.318 119.070 0.054 0.000 2.293 151 H HA -0.038 4.516 4.556 -0.003 0.000 0.300 151 H C 2.498 177.733 175.328 -0.155 0.000 1.082 151 H CA 0.650 56.720 56.048 0.038 0.000 1.308 151 H CB -0.776 29.021 29.762 0.058 0.000 1.375 151 H HN 0.022 8.302 8.280 -0.000 0.000 0.495 152 V N 0.721 120.676 119.914 0.069 0.000 2.282 152 V HA -0.278 3.840 4.120 -0.003 0.000 0.249 152 V C 2.505 178.581 176.094 -0.030 0.000 1.057 152 V CA 2.374 64.681 62.300 0.011 0.000 1.032 152 V CB -0.877 30.981 31.823 0.058 0.000 0.645 152 V HN 0.469 8.659 8.190 -0.000 0.000 0.447 153 T N -0.205 114.345 114.554 -0.006 0.000 2.720 153 T HA -0.204 4.144 4.350 -0.003 0.000 0.268 153 T C 1.718 176.406 174.700 -0.020 0.000 1.037 153 T CA 1.969 64.066 62.100 -0.006 0.000 1.144 153 T CB -0.467 68.405 68.868 0.007 0.000 0.864 153 T HN 0.602 8.842 8.240 -0.000 0.000 0.444 154 N N 0.639 119.324 118.700 -0.025 0.000 2.058 154 N HA -0.003 4.735 4.740 -0.003 0.000 0.191 154 N C 1.911 177.353 175.510 -0.114 0.000 1.037 154 N CA 0.949 53.991 53.050 -0.013 0.000 0.848 154 N CB -0.269 38.299 38.487 0.134 0.000 1.021 154 N HN 0.249 8.629 8.380 -0.000 0.000 0.422 155 L N 1.125 122.156 121.223 -0.319 0.000 2.043 155 L HA -0.199 4.139 4.340 -0.003 0.000 0.212 155 L C 2.549 179.361 176.870 -0.097 0.000 1.075 155 L CA 1.276 55.945 54.840 -0.286 0.000 0.752 155 L CB -0.311 41.529 42.059 -0.364 0.000 0.891 155 L HN 0.171 8.401 8.230 -0.000 0.000 0.432 156 R N -0.121 120.341 120.500 -0.064 0.000 2.073 156 R HA -0.147 4.191 4.340 -0.003 0.000 0.234 156 R C 2.327 178.624 176.300 -0.006 0.000 1.134 156 R CA 1.309 57.397 56.100 -0.019 0.000 0.952 156 R CB -0.152 30.145 30.300 -0.007 0.000 0.850 156 R HN 0.299 8.569 8.270 -0.000 0.000 0.433 157 K N 0.021 120.418 120.400 -0.005 0.000 2.211 157 K HA -0.071 4.247 4.320 -0.003 0.000 0.203 157 K C 1.920 178.531 176.600 0.018 0.000 1.050 157 K CA 1.183 57.475 56.287 0.009 0.000 0.945 157 K CB 0.025 32.533 32.500 0.013 0.000 0.732 157 K HN 0.203 8.453 8.250 -0.000 0.000 0.451 158 M N -0.928 118.684 119.600 0.020 0.000 2.492 158 M HA 0.006 4.484 4.480 -0.003 0.000 0.262 158 M C 0.982 177.305 176.300 0.039 0.000 1.090 158 M CA 1.031 56.356 55.300 0.042 0.000 1.110 158 M CB 0.582 33.223 32.600 0.068 0.000 1.407 158 M HN 0.423 8.713 8.290 -0.000 0.000 0.470 159 G N 0.114 108.929 108.800 0.026 0.000 2.175 159 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.182 159 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.182 159 G C 0.090 175.007 174.900 0.029 0.000 1.003 159 G CA -0.209 44.908 45.100 0.028 0.000 0.666 159 G HN 0.639 8.929 8.290 -0.000 0.000 0.506 160 A N 0.326 123.160 122.820 0.023 0.000 2.386 160 A HA 0.740 5.058 4.320 -0.003 0.000 0.248 160 A C -0.422 177.177 177.584 0.026 0.000 1.082 160 A CA -0.352 51.701 52.037 0.027 0.000 0.789 160 A CB 0.772 19.780 19.000 0.013 0.000 1.025 160 A HN 0.063 8.213 8.150 -0.000 0.000 0.490 161 P HA -0.038 4.382 4.420 -0.000 0.000 0.226 161 P C 1.130 178.456 177.300 0.043 0.000 1.161 161 P CA 0.837 63.965 63.100 0.046 0.000 0.804 161 P CB 0.152 31.885 31.700 0.055 0.000 0.829 162 E N 0.243 120.464 120.200 0.035 0.000 2.136 162 E HA -0.183 4.165 4.350 -0.003 0.000 0.202 162 E C 0.780 177.401 176.600 0.034 0.000 1.019 162 E CA 1.251 57.670 56.400 0.031 0.000 0.819 162 E CB -1.377 28.338 29.700 0.025 0.000 0.739 162 E HN 0.140 8.500 8.360 -0.000 0.000 0.458 163 S N 0.719 116.442 115.700 0.039 0.000 2.400 163 S HA 0.374 4.842 4.470 -0.003 0.000 0.295 163 S C 1.045 175.681 174.600 0.060 0.000 1.113 163 S CA 0.017 58.244 58.200 0.045 0.000 1.064 163 S CB 0.788 64.017 63.200 0.049 0.000 0.990 163 S HN 0.318 8.628 8.310 -0.000 0.000 0.502 164 G N 4.401 113.233 108.800 0.054 0.000 2.443 164 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.219 164 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.219 164 G C 1.174 176.135 174.900 0.101 0.000 1.131 164 G CA 0.580 45.721 45.100 0.068 0.000 0.775 164 G HN 0.672 8.962 8.290 -0.000 0.000 0.547 165 L N 1.205 122.477 121.223 0.082 0.000 2.201 165 L HA 0.247 4.585 4.340 -0.003 0.000 0.212 165 L C 2.921 179.902 176.870 0.184 0.000 1.105 165 L CA 1.738 56.644 54.840 0.110 0.000 0.775 165 L CB -0.537 41.559 42.059 0.062 0.000 0.913 165 L HN 0.206 8.436 8.230 -0.000 0.000 0.440 166 A N -0.679 122.229 122.820 0.147 0.000 1.873 166 A HA -0.176 4.142 4.320 -0.003 0.000 0.215 166 A C 2.135 179.853 177.584 0.224 0.000 1.186 166 A CA 1.670 53.803 52.037 0.162 0.000 0.616 166 A CB -0.528 18.533 19.000 0.102 0.000 0.823 166 A HN 0.579 8.729 8.150 -0.000 0.000 0.442 167 E N -1.737 118.585 120.200 0.204 0.000 2.208 167 E HA -0.171 4.178 4.350 -0.003 0.000 0.193 167 E C 1.785 178.579 176.600 0.324 0.000 0.988 167 E CA 1.194 57.745 56.400 0.252 0.000 0.828 167 E CB -0.257 29.509 29.700 0.109 0.000 0.763 167 E HN 0.830 9.190 8.360 -0.000 0.000 0.478 168 Y N 1.525 121.915 120.300 0.149 0.000 2.184 168 Y HA -0.131 4.418 4.550 -0.003 0.000 0.290 168 Y C 2.027 177.990 175.900 0.105 0.000 1.129 168 Y CA 1.238 59.406 58.100 0.113 0.000 1.144 168 Y CB -0.114 38.385 38.460 0.065 0.000 0.995 168 Y HN -0.101 8.179 8.280 -0.000 0.000 0.513 169 L N -1.263 120.126 121.223 0.277 0.000 2.093 169 L HA -0.164 4.174 4.340 -0.003 0.000 0.208 169 L C 2.250 179.198 176.870 0.130 0.000 1.085 169 L CA 1.219 56.172 54.840 0.188 0.000 0.755 169 L CB -0.698 41.553 42.059 0.320 0.000 0.904 169 L HN 0.260 8.490 8.230 -0.000 0.000 0.435 170 F N 1.466 121.453 119.950 0.061 0.000 2.102 170 F HA -0.268 4.257 4.527 -0.003 0.000 0.298 170 F C 2.231 177.937 175.800 -0.157 0.000 1.105 170 F CA 1.972 59.967 58.000 -0.008 0.000 1.239 170 F CB -0.293 38.734 39.000 0.045 0.000 0.991 170 F HN 0.165 8.465 8.300 -0.000 0.000 0.474 171 D N -0.125 120.274 120.400 -0.001 0.000 2.133 171 D HA -0.231 4.407 4.640 -0.003 0.000 0.192 171 D C 2.050 178.102 176.300 -0.413 0.000 1.001 171 D CA 1.784 55.658 54.000 -0.209 0.000 0.844 171 D CB 0.014 40.831 40.800 0.028 0.000 0.944 171 D HN 0.097 8.467 8.370 -0.000 0.000 0.447 172 K N -0.669 119.470 120.400 -0.436 0.000 2.076 172 K HA -0.059 4.259 4.320 -0.003 0.000 0.204 172 K C 2.216 178.516 176.600 -0.501 0.000 1.051 172 K CA 0.935 56.918 56.287 -0.507 0.000 0.949 172 K CB -0.395 31.726 32.500 -0.631 0.000 0.726 172 K HN 0.472 8.722 8.250 -0.000 0.000 0.443 173 H N -0.077 118.815 119.070 -0.297 0.000 2.431 173 H HA 0.084 4.638 4.556 -0.003 0.000 0.295 173 H C 1.641 176.745 175.328 -0.373 0.000 1.038 173 H CA 1.211 57.098 56.048 -0.268 0.000 1.360 173 H CB 0.395 30.055 29.762 -0.169 0.000 1.433 173 H HN 0.103 8.383 8.280 -0.000 0.000 0.536 174 T N 0.781 115.022 114.554 -0.522 0.000 3.004 174 T HA 0.132 4.480 4.350 -0.003 0.000 0.243 174 T C 2.138 176.421 174.700 -0.695 0.000 1.020 174 T CA 0.073 61.771 62.100 -0.669 0.000 1.145 174 T CB 0.095 68.269 68.868 -1.156 0.000 0.876 174 T HN 0.091 8.331 8.240 -0.000 0.000 0.449 175 L N 0.929 121.609 121.223 -0.904 0.000 2.554 175 L HA 0.290 4.628 4.340 -0.003 0.000 0.226 175 L C 1.376 177.955 176.870 -0.484 0.000 1.137 175 L CA -0.174 54.209 54.840 -0.761 0.000 0.863 175 L CB -0.409 41.055 42.059 -0.991 0.000 0.985 175 L HN 0.198 8.428 8.230 -0.000 0.000 0.451 176 G N 0.000 108.549 108.800 -0.418 0.000 5.446 176 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 176 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 176 G CA 0.000 44.918 45.100 -0.304 0.000 0.502 176 G HN 0.000 8.290 8.290 -0.000 0.000 0.925