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 1fts_1_A DATA FIRST_RESID 201 DATA SEQUENCE RSLLKTKENL GSGFISLFRG KKIDDDLFEE LEEQLLIADV GVETTRKIIT DATA SEQUENCE NLTEGASRKQ LRDAEALYGL LKEEMGEILA KVDEPLNVEG KAPFVILMVG DATA SEQUENCE VNGVGKTTTI GKLARQFEQQ GKSVMLAAGD TFRAAAVEQL QVWGQRNNIP DATA SEQUENCE VIAQHTGADS ASVIFDAIQA AKARNIDVLI ADTAGRLQNK SHLMEELKKI DATA SEQUENCE VRVMKKLDVE APHEVMLTID ASTGQNAVSQ AKLFHEAVGL TGITLTKLDG DATA SEQUENCE TAKGGVIFSV ADQFGIPIRY IGVGERIEDL RPFKADDFIE ALFAR 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 201 R HA 0.000 nan 4.340 nan 0.000 0.208 201 R C 0.000 176.292 176.300 -0.013 0.000 0.893 201 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 201 R CB 0.000 30.285 30.300 -0.024 0.000 0.687 202 S N 0.437 116.134 115.700 -0.004 0.000 2.489 202 S HA -0.113 nan 4.470 nan 0.000 0.228 202 S C 0.517 175.117 174.600 -0.001 0.000 0.995 202 S CA 2.022 60.224 58.200 0.004 0.000 0.934 202 S CB 0.014 63.226 63.200 0.021 0.000 0.771 202 S HN 0.265 8.576 8.310 0.002 0.000 0.522 203 L N -0.854 120.357 121.223 -0.021 0.000 2.627 203 L HA -0.015 nan 4.340 nan 0.000 0.232 203 L C 0.576 177.415 176.870 -0.051 0.000 1.150 203 L CA -0.286 54.531 54.840 -0.037 0.000 0.917 203 L CB -1.126 40.872 42.059 -0.102 0.000 1.104 203 L HN -0.269 7.895 8.230 -0.031 0.048 0.445 204 L N -0.910 120.289 121.223 -0.041 0.000 2.151 204 L HA -0.465 nan 4.340 nan 0.000 0.215 204 L C 1.221 178.062 176.870 -0.048 0.000 1.084 204 L CA 2.824 57.637 54.840 -0.045 0.000 0.764 204 L CB -0.729 41.312 42.059 -0.031 0.000 0.891 204 L HN -0.692 7.424 8.230 -0.029 0.097 0.435 205 K N -3.540 116.839 120.400 -0.036 0.000 2.167 205 K HA -0.109 nan 4.320 nan 0.000 0.203 205 K C 2.580 179.153 176.600 -0.045 0.000 1.052 205 K CA 2.273 58.539 56.287 -0.034 0.000 0.956 205 K CB 0.136 32.626 32.500 -0.017 0.000 0.735 205 K HN -0.046 8.156 8.250 -0.026 0.032 0.451 206 T N 2.937 117.464 114.554 -0.046 0.000 2.995 206 T HA -0.092 nan 4.350 nan 0.000 0.269 206 T C 1.464 176.087 174.700 -0.128 0.000 1.091 206 T CA 3.661 65.728 62.100 -0.055 0.000 1.128 206 T CB -0.581 68.279 68.868 -0.014 0.000 0.891 206 T HN -0.427 7.791 8.240 -0.038 0.000 0.492 207 K N 0.211 120.524 120.400 -0.145 0.000 2.442 207 K HA -0.293 nan 4.320 nan 0.000 0.198 207 K C 1.679 178.156 176.600 -0.206 0.000 1.042 207 K CA 2.765 58.929 56.287 -0.206 0.000 0.958 207 K CB -0.681 31.724 32.500 -0.159 0.000 0.766 207 K HN -0.472 7.674 8.250 -0.111 0.038 0.474 208 E N -1.361 118.751 120.200 -0.148 0.000 2.110 208 E HA -0.274 nan 4.350 nan 0.000 0.193 208 E C 1.513 178.014 176.600 -0.165 0.000 0.988 208 E CA 2.453 58.777 56.400 -0.127 0.000 0.804 208 E CB -0.210 29.440 29.700 -0.083 0.000 0.745 208 E HN -0.583 7.659 8.360 -0.119 0.047 0.458 209 N N -4.496 114.085 118.700 -0.199 0.000 2.332 209 N HA 0.079 nan 4.740 nan 0.000 0.190 209 N C -0.641 174.583 175.510 -0.478 0.000 1.117 209 N CA 0.657 53.573 53.050 -0.225 0.000 0.883 209 N CB 2.289 40.709 38.487 -0.111 0.000 1.089 209 N HN -0.611 7.642 8.380 -0.184 0.016 0.480 210 L N -2.082 118.787 121.223 -0.590 0.000 2.319 210 L HA 0.238 nan 4.340 nan 0.000 0.267 210 L C 0.308 176.470 176.870 -1.181 0.000 1.011 210 L CA -0.857 53.368 54.840 -1.025 0.000 0.818 210 L CB 1.821 43.608 42.059 -0.454 0.000 1.316 210 L HN -0.423 7.565 8.230 -0.405 0.000 0.432 211 G N 1.005 108.739 108.800 -1.778 0.000 2.815 211 G HA2 -0.554 nan 3.960 nan 0.000 0.326 211 G HA3 -0.554 nan 3.960 nan 0.000 0.326 211 G C 1.599 175.970 174.900 -0.883 0.000 1.191 211 G CA 1.738 45.726 45.100 -1.852 0.000 0.965 211 G HN 0.696 7.686 8.290 -2.168 0.000 0.564 212 S N 5.637 121.084 115.700 -0.421 0.000 2.370 212 S HA -0.318 nan 4.470 nan 0.000 0.226 212 S C 2.478 177.002 174.600 -0.128 0.000 1.033 212 S CA 3.566 61.712 58.200 -0.090 0.000 1.011 212 S CB -0.138 63.016 63.200 -0.076 0.000 0.852 212 S HN -0.217 7.831 8.310 -0.438 0.000 0.457 213 G N 0.539 109.156 108.800 -0.305 0.000 2.479 213 G HA2 -0.238 nan 3.960 nan 0.000 0.220 213 G HA3 -0.238 nan 3.960 nan 0.000 0.220 213 G C 0.863 175.650 174.900 -0.189 0.000 1.115 213 G CA 1.684 46.631 45.100 -0.255 0.000 0.757 213 G HN -0.419 7.623 8.290 -0.414 0.000 0.560 214 F N 1.312 121.156 119.950 -0.177 0.000 2.146 214 F HA -0.228 nan 4.527 nan 0.000 0.298 214 F C 1.620 177.248 175.800 -0.286 0.000 1.096 214 F CA 1.120 58.919 58.000 -0.335 0.000 1.275 214 F CB -0.479 38.456 39.000 -0.107 0.000 1.008 214 F HN -0.731 7.169 8.300 -0.405 0.158 0.480 215 I N -0.923 119.796 120.570 0.249 0.000 2.087 215 I HA -0.722 nan 4.170 nan 0.000 0.240 215 I C 1.743 177.913 176.117 0.087 0.000 1.054 215 I CA 4.247 65.677 61.300 0.216 0.000 1.311 215 I CB -0.595 37.477 38.000 0.121 0.000 1.024 215 I HN -0.538 7.848 8.210 0.294 0.000 0.402 216 S N -2.162 113.547 115.700 0.014 0.000 2.419 216 S HA -0.288 nan 4.470 nan 0.000 0.235 216 S C 1.503 176.082 174.600 -0.034 0.000 1.019 216 S CA 2.908 61.102 58.200 -0.010 0.000 0.982 216 S CB -0.315 62.867 63.200 -0.030 0.000 0.789 216 S HN -0.041 8.271 8.310 0.005 0.000 0.490 217 L N 0.605 121.756 121.223 -0.120 0.000 2.109 217 L HA -0.137 nan 4.340 nan 0.000 0.207 217 L C 0.786 177.598 176.870 -0.097 0.000 1.086 217 L CA 2.611 57.341 54.840 -0.184 0.000 0.760 217 L CB 0.413 42.255 42.059 -0.362 0.000 0.910 217 L HN -0.542 7.461 8.230 -0.151 0.137 0.437 218 F N -3.232 116.755 119.950 0.062 0.000 2.615 218 F HA -0.010 nan 4.527 nan 0.000 0.297 218 F C 1.103 176.910 175.800 0.011 0.000 1.124 218 F CA -0.013 58.004 58.000 0.028 0.000 1.451 218 F CB -0.794 38.239 39.000 0.055 0.000 1.103 218 F HN -0.258 7.858 8.300 -0.162 0.087 0.569 219 R N 0.682 121.286 120.500 0.173 0.000 2.549 219 R HA -0.420 nan 4.340 nan 0.000 0.336 219 R C 0.762 177.102 176.300 0.066 0.000 0.891 219 R CA 1.928 58.087 56.100 0.097 0.000 1.102 219 R CB -0.891 29.443 30.300 0.055 0.000 0.899 219 R HN -0.587 7.721 8.270 0.138 0.045 0.407 220 G N 6.075 114.906 108.800 0.052 0.000 2.245 220 G HA2 -0.359 nan 3.960 nan 0.000 0.264 220 G HA3 -0.359 nan 3.960 nan 0.000 0.264 220 G C 0.250 175.164 174.900 0.024 0.000 0.985 220 G CA 0.269 45.387 45.100 0.029 0.000 0.625 220 G HN 0.163 8.942 8.290 0.055 -0.455 0.536 221 K N 0.731 121.156 120.400 0.041 0.000 2.219 221 K HA 0.064 nan 4.320 nan 0.000 0.258 221 K C -0.818 175.775 176.600 -0.012 0.000 1.008 221 K CA -0.358 55.943 56.287 0.023 0.000 0.928 221 K CB 0.791 33.324 32.500 0.056 0.000 0.983 221 K HN -0.444 7.757 8.250 0.072 0.092 0.484 222 K N -0.122 120.257 120.400 -0.035 0.000 2.139 222 K HA 0.355 nan 4.320 nan 0.000 0.243 222 K C -0.396 176.136 176.600 -0.113 0.000 0.983 222 K CA -1.880 54.371 56.287 -0.061 0.000 0.890 222 K CB 1.974 34.447 32.500 -0.044 0.000 1.090 222 K HN 0.157 8.390 8.250 -0.028 0.000 0.445 223 I N 3.714 124.200 120.570 -0.140 0.000 2.291 223 I HA -0.040 nan 4.170 nan 0.000 0.292 223 I C -1.298 174.711 176.117 -0.181 0.000 1.064 223 I CA 0.413 61.570 61.300 -0.239 0.000 1.269 223 I CB -0.212 37.661 38.000 -0.211 0.000 1.418 223 I HN -0.226 7.922 8.210 -0.105 0.000 0.485 224 D N 7.013 127.277 120.400 -0.227 0.000 2.626 224 D HA 0.132 nan 4.640 nan 0.000 0.278 224 D C -0.566 175.693 176.300 -0.069 0.000 1.211 224 D CA -1.521 52.426 54.000 -0.089 0.000 0.903 224 D CB 1.262 42.034 40.800 -0.046 0.000 1.408 224 D HN -0.388 7.779 8.370 -0.339 0.000 0.454 225 D N -0.957 119.485 120.400 0.070 0.000 2.221 225 D HA -0.325 nan 4.640 nan 0.000 0.204 225 D C 1.805 178.156 176.300 0.086 0.000 0.982 225 D CA 3.271 57.362 54.000 0.151 0.000 0.857 225 D CB 0.002 40.874 40.800 0.120 0.000 0.934 225 D HN 0.257 8.666 8.370 0.065 0.000 0.475 226 D N -0.321 120.092 120.400 0.022 0.000 2.144 226 D HA -0.184 nan 4.640 nan 0.000 0.199 226 D C 1.919 178.217 176.300 -0.004 0.000 0.984 226 D CA 2.792 56.799 54.000 0.012 0.000 0.834 226 D CB -0.036 40.762 40.800 -0.002 0.000 0.955 226 D HN -0.021 8.370 8.370 0.009 -0.016 0.465 227 L N -0.372 120.804 121.223 -0.077 0.000 2.044 227 L HA -0.244 nan 4.340 nan 0.000 0.205 227 L C 1.590 178.419 176.870 -0.068 0.000 1.075 227 L CA 3.387 58.157 54.840 -0.116 0.000 0.747 227 L CB -0.503 41.406 42.059 -0.252 0.000 0.903 227 L HN -0.359 7.891 8.230 -0.115 -0.089 0.435 228 F N -2.095 117.886 119.950 0.051 0.000 2.269 228 F HA -0.356 nan 4.527 nan 0.000 0.301 228 F C 2.562 178.380 175.800 0.030 0.000 1.082 228 F CA 3.240 61.263 58.000 0.039 0.000 1.360 228 F CB -1.125 37.885 39.000 0.016 0.000 1.041 228 F HN -0.459 7.720 8.300 -0.202 0.000 0.512 229 E N -0.257 120.055 120.200 0.185 0.000 2.072 229 E HA -0.308 nan 4.350 nan 0.000 0.190 229 E C 2.107 178.757 176.600 0.083 0.000 0.982 229 E CA 2.939 59.407 56.400 0.114 0.000 0.803 229 E CB -0.658 29.089 29.700 0.080 0.000 0.755 229 E HN -0.216 8.215 8.360 0.158 0.023 0.453 230 E N -0.038 120.202 120.200 0.066 0.000 2.077 230 E HA -0.321 nan 4.350 nan 0.000 0.193 230 E C 2.592 179.221 176.600 0.048 0.000 0.989 230 E CA 2.870 59.295 56.400 0.042 0.000 0.800 230 E CB 0.014 29.727 29.700 0.022 0.000 0.746 230 E HN -0.704 7.619 8.360 0.063 0.075 0.452 231 L N -0.820 120.451 121.223 0.080 0.000 2.027 231 L HA -0.294 nan 4.340 nan 0.000 0.206 231 L C 1.195 178.119 176.870 0.089 0.000 1.074 231 L CA 3.341 58.230 54.840 0.082 0.000 0.745 231 L CB -0.066 42.086 42.059 0.155 0.000 0.898 231 L HN -0.097 8.190 8.230 0.107 0.008 0.433 232 E N -0.590 119.670 120.200 0.101 0.000 2.070 232 E HA -0.537 nan 4.350 nan 0.000 0.197 232 E C 2.097 178.734 176.600 0.061 0.000 1.004 232 E CA 3.746 60.191 56.400 0.075 0.000 0.805 232 E CB -0.282 29.461 29.700 0.072 0.000 0.744 232 E HN -0.029 8.303 8.360 0.132 0.107 0.451 233 E N -1.267 118.967 120.200 0.056 0.000 2.051 233 E HA -0.424 nan 4.350 nan 0.000 0.192 233 E C 2.317 178.943 176.600 0.044 0.000 0.991 233 E CA 2.992 59.417 56.400 0.043 0.000 0.799 233 E CB -0.289 29.432 29.700 0.035 0.000 0.748 233 E HN -0.252 8.140 8.360 0.061 0.004 0.449 234 Q N -0.004 119.827 119.800 0.052 0.000 2.084 234 Q HA -0.282 nan 4.340 nan 0.000 0.202 234 Q C 2.765 178.811 176.000 0.077 0.000 0.978 234 Q CA 3.115 58.952 55.803 0.057 0.000 0.844 234 Q CB -0.050 28.733 28.738 0.075 0.000 0.898 234 Q HN -0.657 7.569 8.270 0.054 0.075 0.426 235 L N -0.896 120.387 121.223 0.099 0.000 2.046 235 L HA -0.358 nan 4.340 nan 0.000 0.208 235 L C 2.193 179.104 176.870 0.068 0.000 1.077 235 L CA 3.108 58.005 54.840 0.096 0.000 0.747 235 L CB -0.205 41.905 42.059 0.085 0.000 0.896 235 L HN 0.174 8.462 8.230 0.098 0.000 0.432 236 L N -1.413 119.843 121.223 0.055 0.000 2.056 236 L HA -0.354 nan 4.340 nan 0.000 0.207 236 L C 2.980 179.876 176.870 0.043 0.000 1.078 236 L CA 3.150 58.017 54.840 0.046 0.000 0.749 236 L CB -0.248 41.833 42.059 0.038 0.000 0.901 236 L HN -0.123 8.140 8.230 0.054 0.000 0.433 237 I N -1.252 119.340 120.570 0.038 0.000 2.361 237 I HA -0.478 nan 4.170 nan 0.000 0.251 237 I C 0.562 176.699 176.117 0.033 0.000 1.133 237 I CA 3.415 64.733 61.300 0.030 0.000 1.413 237 I CB -0.284 37.728 38.000 0.020 0.000 1.073 237 I HN 0.017 8.251 8.210 0.039 0.000 0.424 238 A N -4.497 118.348 122.820 0.041 0.000 2.235 238 A HA -0.121 nan 4.320 nan 0.000 0.208 238 A C -1.274 176.356 177.584 0.077 0.000 1.172 238 A CA 0.367 52.433 52.037 0.049 0.000 0.786 238 A CB 0.050 19.077 19.000 0.046 0.000 0.804 238 A HN -0.503 7.554 8.150 0.046 0.120 0.479 239 D N -5.878 114.566 120.400 0.072 0.000 2.988 239 D HA -0.277 nan 4.640 nan 0.000 0.221 239 D C 0.430 176.795 176.300 0.108 0.000 1.122 239 D CA 1.287 55.336 54.000 0.080 0.000 0.821 239 D CB -1.565 39.281 40.800 0.076 0.000 1.098 239 D HN -0.442 7.755 8.370 0.060 0.209 0.433 240 V N -4.488 115.491 119.914 0.109 0.000 2.871 240 V HA -0.081 nan 4.120 nan 0.000 0.256 240 V C -0.166 175.980 176.094 0.087 0.000 1.082 240 V CA 1.678 64.055 62.300 0.127 0.000 1.105 240 V CB 0.056 31.932 31.823 0.089 0.000 0.713 240 V HN -0.257 7.987 8.190 0.091 0.000 0.473 241 G N -2.617 106.220 108.800 0.062 0.000 2.721 241 G HA2 -0.289 nan 3.960 nan 0.000 0.686 241 G HA3 -0.289 nan 3.960 nan 0.000 0.686 241 G C 0.077 174.992 174.900 0.025 0.000 1.236 241 G CA -0.675 44.450 45.100 0.041 0.000 0.786 241 G HN -0.776 7.521 8.290 0.064 0.031 0.616 242 V N 2.792 122.717 119.914 0.017 0.000 2.220 242 V HA -0.474 nan 4.120 nan 0.000 0.250 242 V C 1.706 177.799 176.094 -0.001 0.000 1.056 242 V CA 3.672 65.977 62.300 0.009 0.000 1.016 242 V CB -0.330 31.497 31.823 0.007 0.000 0.639 242 V HN 0.444 8.645 8.190 0.020 0.000 0.446 243 E N -1.553 118.641 120.200 -0.010 0.000 2.051 243 E HA -0.358 nan 4.350 nan 0.000 0.192 243 E C 2.390 178.979 176.600 -0.018 0.000 0.991 243 E CA 3.466 59.854 56.400 -0.020 0.000 0.799 243 E CB -1.029 28.648 29.700 -0.037 0.000 0.748 243 E HN 0.256 8.609 8.360 -0.011 0.000 0.449 244 T N 2.634 117.182 114.554 -0.010 0.000 2.821 244 T HA -0.159 nan 4.350 nan 0.000 0.267 244 T C 2.256 176.956 174.700 0.001 0.000 1.046 244 T CA 4.500 66.603 62.100 0.004 0.000 1.139 244 T CB -0.702 68.187 68.868 0.036 0.000 0.871 244 T HN 0.225 8.459 8.240 -0.010 0.000 0.454 245 T N 5.434 119.990 114.554 0.004 0.000 2.821 245 T HA -0.206 nan 4.350 nan 0.000 0.267 245 T C 1.479 176.169 174.700 -0.016 0.000 1.046 245 T CA 4.737 66.837 62.100 0.000 0.000 1.139 245 T CB -0.713 68.164 68.868 0.016 0.000 0.871 245 T HN 0.326 8.572 8.240 0.010 0.000 0.454 246 R N 1.293 121.782 120.500 -0.018 0.000 2.096 246 R HA -0.302 nan 4.340 nan 0.000 0.235 246 R C 1.486 177.757 176.300 -0.047 0.000 1.127 246 R CA 3.447 59.528 56.100 -0.032 0.000 0.968 246 R CB -0.323 29.962 30.300 -0.025 0.000 0.861 246 R HN 0.077 8.340 8.270 -0.012 0.000 0.440 247 K N -0.606 119.772 120.400 -0.037 0.000 2.025 247 K HA -0.210 nan 4.320 nan 0.000 0.207 247 K C 2.421 178.990 176.600 -0.051 0.000 1.049 247 K CA 3.221 59.484 56.287 -0.040 0.000 0.933 247 K CB -0.058 32.428 32.500 -0.024 0.000 0.714 247 K HN -0.533 7.695 8.250 -0.027 0.006 0.438 248 I N 0.160 120.703 120.570 -0.045 0.000 2.179 248 I HA -0.506 nan 4.170 nan 0.000 0.242 248 I C 2.078 178.142 176.117 -0.089 0.000 1.088 248 I CA 4.009 65.276 61.300 -0.055 0.000 1.357 248 I CB -0.017 37.954 38.000 -0.049 0.000 1.051 248 I HN 0.021 8.210 8.210 -0.034 0.000 0.409 249 I N -1.110 119.400 120.570 -0.100 0.000 2.127 249 I HA -0.542 nan 4.170 nan 0.000 0.241 249 I C 2.543 178.487 176.117 -0.288 0.000 1.075 249 I CA 3.601 64.789 61.300 -0.186 0.000 1.334 249 I CB -1.667 36.245 38.000 -0.147 0.000 1.040 249 I HN 0.126 8.293 8.210 -0.071 0.000 0.405 250 T N -0.896 113.538 114.554 -0.200 0.000 2.708 250 T HA -0.406 nan 4.350 nan 0.000 0.266 250 T C 1.839 176.436 174.700 -0.172 0.000 1.037 250 T CA 4.399 66.383 62.100 -0.193 0.000 1.146 250 T CB -0.720 68.076 68.868 -0.120 0.000 0.865 250 T HN -0.105 8.050 8.240 -0.142 0.000 0.435 251 N N 2.707 121.333 118.700 -0.123 0.000 2.104 251 N HA -0.355 nan 4.740 nan 0.000 0.190 251 N C 2.184 177.632 175.510 -0.103 0.000 1.024 251 N CA 3.037 56.032 53.050 -0.091 0.000 0.853 251 N CB -0.160 38.290 38.487 -0.062 0.000 1.008 251 N HN -0.465 7.850 8.380 -0.108 0.000 0.424 252 L N -0.725 120.418 121.223 -0.132 0.000 2.141 252 L HA -0.284 nan 4.340 nan 0.000 0.209 252 L C 1.554 178.337 176.870 -0.144 0.000 1.094 252 L CA 3.620 58.396 54.840 -0.107 0.000 0.763 252 L CB -0.086 41.929 42.059 -0.073 0.000 0.908 252 L HN 0.030 8.166 8.230 -0.145 0.007 0.437 253 T N 2.111 116.452 114.554 -0.355 0.000 2.770 253 T HA -0.337 nan 4.350 nan 0.000 0.263 253 T C 2.451 177.080 174.700 -0.118 0.000 1.039 253 T CA 4.933 66.811 62.100 -0.370 0.000 1.142 253 T CB -0.622 67.901 68.868 -0.574 0.000 0.868 253 T HN 0.066 7.967 8.240 -0.395 0.101 0.435 254 E N 1.658 121.789 120.200 -0.114 0.000 2.085 254 E HA -0.389 nan 4.350 nan 0.000 0.194 254 E C 2.402 178.981 176.600 -0.035 0.000 0.994 254 E CA 2.937 59.300 56.400 -0.061 0.000 0.801 254 E CB -0.307 29.357 29.700 -0.060 0.000 0.743 254 E HN 0.077 8.348 8.360 -0.149 0.000 0.453 255 G N -1.957 106.821 108.800 -0.037 0.000 2.402 255 G HA2 -0.141 nan 3.960 nan 0.000 0.216 255 G HA3 -0.141 nan 3.960 nan 0.000 0.216 255 G C 0.356 175.256 174.900 -0.001 0.000 1.162 255 G CA 1.357 46.445 45.100 -0.020 0.000 0.777 255 G HN -0.209 8.040 8.290 -0.058 0.006 0.539 256 A N 0.177 123.013 122.820 0.027 0.000 2.067 256 A HA 0.005 nan 4.320 nan 0.000 0.219 256 A C 1.674 179.284 177.584 0.043 0.000 1.158 256 A CA 2.194 54.261 52.037 0.050 0.000 0.661 256 A CB 0.186 19.271 19.000 0.141 0.000 0.801 256 A HN 0.082 8.142 8.150 0.029 0.108 0.452 257 S N -1.181 114.543 115.700 0.040 0.000 2.387 257 S HA -0.167 nan 4.470 nan 0.000 0.221 257 S C 2.131 176.738 174.600 0.011 0.000 1.041 257 S CA 3.247 61.465 58.200 0.030 0.000 0.959 257 S CB 0.269 63.486 63.200 0.028 0.000 0.843 257 S HN -0.246 8.051 8.310 0.032 0.032 0.488 258 R N 1.159 121.660 120.500 0.002 0.000 2.541 258 R HA -0.047 nan 4.340 nan 0.000 0.245 258 R C -0.288 176.010 176.300 -0.004 0.000 1.154 258 R CA 1.119 57.217 56.100 -0.003 0.000 1.179 258 R CB -0.508 29.787 30.300 -0.007 0.000 1.189 258 R HN -0.328 7.942 8.270 0.000 0.000 0.526 259 K N -2.338 118.061 120.400 -0.002 0.000 2.603 259 K HA 0.104 nan 4.320 nan 0.000 0.195 259 K C -1.295 175.302 176.600 -0.005 0.000 1.213 259 K CA -1.014 55.270 56.287 -0.005 0.000 1.084 259 K CB 0.396 32.892 32.500 -0.007 0.000 0.981 259 K HN -0.560 7.556 8.250 0.001 0.135 0.577 260 Q N -2.979 116.820 119.800 -0.001 0.000 2.435 260 Q HA -0.391 nan 4.340 nan 0.000 0.286 260 Q C -0.274 175.721 176.000 -0.007 0.000 1.229 260 Q CA 0.646 56.448 55.803 -0.002 0.000 0.884 260 Q CB -2.251 26.485 28.738 -0.003 0.000 1.245 260 Q HN -0.085 8.012 8.270 0.001 0.174 0.488 261 L N -1.928 119.289 121.223 -0.009 0.000 2.410 261 L HA -0.065 nan 4.340 nan 0.000 0.273 261 L C 0.276 177.128 176.870 -0.031 0.000 1.144 261 L CA 0.766 55.591 54.840 -0.025 0.000 0.863 261 L CB -0.421 41.616 42.059 -0.037 0.000 1.140 261 L HN 0.043 8.250 8.230 -0.003 0.021 0.463 262 R N 0.533 121.010 120.500 -0.038 0.000 2.404 262 R HA 0.083 nan 4.340 nan 0.000 0.237 262 R C -1.199 175.065 176.300 -0.061 0.000 0.907 262 R CA -0.092 55.982 56.100 -0.043 0.000 1.063 262 R CB 1.193 31.476 30.300 -0.028 0.000 1.134 262 R HN 0.277 8.526 8.270 -0.035 0.000 0.529 263 D N -2.664 117.696 120.400 -0.067 0.000 2.233 263 D HA 0.204 nan 4.640 nan 0.000 0.240 263 D C 0.113 176.336 176.300 -0.128 0.000 1.074 263 D CA -1.347 52.608 54.000 -0.074 0.000 0.838 263 D CB 1.560 42.329 40.800 -0.053 0.000 1.124 263 D HN -0.789 7.487 8.370 -0.060 0.057 0.475 264 A N 6.583 129.321 122.820 -0.138 0.000 1.930 264 A HA -0.183 nan 4.320 nan 0.000 0.217 264 A C 1.888 179.255 177.584 -0.361 0.000 1.175 264 A CA 3.107 54.991 52.037 -0.254 0.000 0.627 264 A CB 0.078 19.025 19.000 -0.089 0.000 0.815 264 A HN 0.311 8.409 8.150 -0.086 0.000 0.443 265 E N -0.753 119.380 120.200 -0.112 0.000 2.147 265 E HA -0.386 nan 4.350 nan 0.000 0.199 265 E C 2.169 178.718 176.600 -0.084 0.000 1.005 265 E CA 3.281 59.667 56.400 -0.023 0.000 0.810 265 E CB -0.466 29.246 29.700 0.021 0.000 0.736 265 E HN -0.299 8.186 8.360 -0.052 -0.155 0.460 266 A N -1.428 121.314 122.820 -0.129 0.000 2.172 266 A HA -0.130 nan 4.320 nan 0.000 0.216 266 A C 1.666 179.177 177.584 -0.123 0.000 1.154 266 A CA 2.065 54.052 52.037 -0.083 0.000 0.701 266 A CB -0.781 18.175 19.000 -0.072 0.000 0.789 266 A HN -0.562 7.638 8.150 -0.137 -0.132 0.465 267 L N -2.504 118.500 121.223 -0.364 0.000 2.291 267 L HA -0.328 nan 4.340 nan 0.000 0.214 267 L C 0.932 177.727 176.870 -0.125 0.000 1.120 267 L CA 2.041 56.635 54.840 -0.411 0.000 0.799 267 L CB -0.567 40.941 42.059 -0.918 0.000 0.925 267 L HN 0.105 7.823 8.230 -0.554 0.179 0.446 268 Y N 0.382 120.650 120.300 -0.052 0.000 2.114 268 Y HA -0.467 nan 4.550 nan 0.000 0.282 268 Y C 1.491 177.522 175.900 0.219 0.000 1.165 268 Y CA 4.307 62.609 58.100 0.337 0.000 1.148 268 Y CB -0.605 38.095 38.460 0.399 0.000 0.972 268 Y HN -0.567 7.714 8.280 0.060 0.035 0.504 269 G N -2.885 106.123 108.800 0.346 0.000 2.408 269 G HA2 -0.328 nan 3.960 nan 0.000 0.217 269 G HA3 -0.328 nan 3.960 nan 0.000 0.217 269 G C 1.144 176.027 174.900 -0.028 0.000 1.150 269 G CA 1.684 46.870 45.100 0.143 0.000 0.776 269 G HN -0.327 8.186 8.290 0.372 0.000 0.542 270 L N 0.739 121.950 121.223 -0.020 0.000 2.217 270 L HA -0.155 nan 4.340 nan 0.000 0.211 270 L C 1.720 178.548 176.870 -0.070 0.000 1.107 270 L CA 2.086 56.896 54.840 -0.050 0.000 0.783 270 L CB -0.112 41.922 42.059 -0.042 0.000 0.919 270 L HN -0.854 7.296 8.230 0.003 0.082 0.442 271 L N -0.104 121.083 121.223 -0.059 0.000 2.044 271 L HA -0.302 nan 4.340 nan 0.000 0.205 271 L C 1.858 178.652 176.870 -0.126 0.000 1.075 271 L CA 2.452 57.279 54.840 -0.023 0.000 0.747 271 L CB -1.465 40.630 42.059 0.060 0.000 0.903 271 L HN 0.408 8.505 8.230 -0.029 0.115 0.435 272 K N -0.766 119.342 120.400 -0.486 0.000 2.113 272 K HA -0.453 nan 4.320 nan 0.000 0.208 272 K C 2.315 178.658 176.600 -0.428 0.000 1.047 272 K CA 3.719 59.373 56.287 -1.055 0.000 0.928 272 K CB -0.285 31.559 32.500 -1.094 0.000 0.716 272 K HN -0.002 8.028 8.250 -0.368 0.000 0.446 273 E N -1.271 118.789 120.200 -0.233 0.000 2.015 273 E HA -0.302 nan 4.350 nan 0.000 0.191 273 E C 2.075 178.639 176.600 -0.060 0.000 0.991 273 E CA 3.150 59.480 56.400 -0.116 0.000 0.802 273 E CB -0.034 29.620 29.700 -0.077 0.000 0.759 273 E HN -0.642 7.482 8.360 -0.219 0.105 0.447 274 E N -0.143 120.028 120.200 -0.047 0.000 2.072 274 E HA -0.239 nan 4.350 nan 0.000 0.191 274 E C 2.618 179.241 176.600 0.037 0.000 0.985 274 E CA 2.316 58.710 56.400 -0.009 0.000 0.801 274 E CB -0.376 29.311 29.700 -0.022 0.000 0.750 274 E HN -0.531 7.791 8.360 -0.063 0.000 0.452 275 M N -2.040 117.585 119.600 0.041 0.000 2.229 275 M HA -0.261 nan 4.480 nan 0.000 0.264 275 M C 2.321 178.816 176.300 0.325 0.000 1.063 275 M CA 3.688 59.082 55.300 0.156 0.000 1.114 275 M CB -0.119 32.527 32.600 0.076 0.000 1.387 275 M HN 0.351 8.638 8.290 -0.005 0.000 0.420 276 G N -1.224 107.668 108.800 0.153 0.000 2.402 276 G HA2 -0.322 nan 3.960 nan 0.000 0.216 276 G HA3 -0.322 nan 3.960 nan 0.000 0.216 276 G C 0.926 175.901 174.900 0.125 0.000 1.162 276 G CA 1.756 46.938 45.100 0.136 0.000 0.777 276 G HN -0.289 7.915 8.290 0.036 0.108 0.539 277 E N 2.256 122.509 120.200 0.089 0.000 2.110 277 E HA -0.358 nan 4.350 nan 0.000 0.193 277 E C 2.519 179.183 176.600 0.106 0.000 0.988 277 E CA 2.615 59.059 56.400 0.073 0.000 0.804 277 E CB -0.160 29.566 29.700 0.044 0.000 0.745 277 E HN -0.521 7.795 8.360 0.065 0.082 0.458 278 I N -0.558 120.106 120.570 0.158 0.000 2.179 278 I HA -0.420 nan 4.170 nan 0.000 0.242 278 I C 1.581 177.808 176.117 0.183 0.000 1.088 278 I CA 3.958 65.368 61.300 0.183 0.000 1.357 278 I CB 0.022 38.192 38.000 0.284 0.000 1.051 278 I HN -0.534 7.682 8.210 0.172 0.097 0.409 279 L N -3.749 117.613 121.223 0.231 0.000 2.240 279 L HA -0.156 nan 4.340 nan 0.000 0.211 279 L C 2.421 179.403 176.870 0.187 0.000 1.106 279 L CA 1.966 56.935 54.840 0.216 0.000 0.793 279 L CB -0.178 42.050 42.059 0.281 0.000 0.927 279 L HN -0.679 7.729 8.230 0.297 0.000 0.446 280 A N 0.317 123.209 122.820 0.120 0.000 1.969 280 A HA -0.257 nan 4.320 nan 0.000 0.218 280 A C 1.828 179.450 177.584 0.064 0.000 1.169 280 A CA 2.962 55.037 52.037 0.063 0.000 0.635 280 A CB -0.832 18.193 19.000 0.041 0.000 0.810 280 A HN 0.140 8.250 8.150 0.129 0.118 0.445 281 K N -2.945 117.500 120.400 0.075 0.000 2.442 281 K HA -0.185 nan 4.320 nan 0.000 0.198 281 K C -0.063 176.576 176.600 0.066 0.000 1.042 281 K CA 2.065 58.388 56.287 0.061 0.000 0.958 281 K CB 0.118 32.651 32.500 0.056 0.000 0.766 281 K HN -0.478 7.805 8.250 0.087 0.020 0.474 282 V N -8.710 111.261 119.914 0.096 0.000 2.991 282 V HA 0.413 nan 4.120 nan 0.000 0.355 282 V C -1.213 174.985 176.094 0.172 0.000 1.384 282 V CA -2.453 59.905 62.300 0.097 0.000 1.171 282 V CB -0.438 31.418 31.823 0.054 0.000 1.190 282 V HN -0.662 7.429 8.190 0.124 0.174 0.540 283 D N 2.178 122.655 120.400 0.129 0.000 2.889 283 D HA 0.144 nan 4.640 nan 0.000 0.243 283 D C -1.116 175.197 176.300 0.021 0.000 1.270 283 D CA -0.597 53.446 54.000 0.071 0.000 0.838 283 D CB -0.716 40.053 40.800 -0.053 0.000 1.040 283 D HN -0.450 7.908 8.370 0.086 0.063 0.480 284 E N 0.606 120.832 120.200 0.042 0.000 2.081 284 E HA 0.395 nan 4.350 nan 0.000 0.276 284 E C -2.096 174.502 176.600 -0.004 0.000 0.950 284 E CA -3.033 53.375 56.400 0.014 0.000 0.776 284 E CB 0.936 30.651 29.700 0.025 0.000 1.094 284 E HN -0.728 7.595 8.360 0.071 0.079 0.402 285 P HA -0.014 nan 4.420 nan 0.000 0.272 285 P C -1.789 175.480 177.300 -0.052 0.000 1.223 285 P CA -0.250 62.807 63.100 -0.072 0.000 0.784 285 P CB 0.540 32.196 31.700 -0.072 0.000 0.923 286 L N 1.639 122.814 121.223 -0.081 0.000 2.313 286 L HA 0.017 nan 4.340 nan 0.000 0.282 286 L C -0.593 176.249 176.870 -0.047 0.000 1.092 286 L CA -0.015 54.819 54.840 -0.010 0.000 0.831 286 L CB 0.379 42.487 42.059 0.082 0.000 1.159 286 L HN 0.164 8.286 8.230 -0.180 0.000 0.442 287 N N 6.720 125.365 118.700 -0.091 0.000 2.511 287 N HA 0.034 nan 4.740 nan 0.000 0.249 287 N C -0.569 174.666 175.510 -0.459 0.000 0.971 287 N CA -0.453 52.494 53.050 -0.171 0.000 0.938 287 N CB 0.500 38.940 38.487 -0.078 0.000 1.131 287 N HN 0.280 8.641 8.380 -0.032 0.000 0.505 288 V N -0.481 119.010 119.914 -0.705 0.000 3.331 288 V HA 0.347 nan 4.120 nan 0.000 0.332 288 V C -0.577 175.046 176.094 -0.786 0.000 1.341 288 V CA -0.914 60.542 62.300 -1.406 0.000 1.218 288 V CB -1.336 29.670 31.823 -1.361 0.000 1.152 288 V HN 0.474 8.388 8.190 -0.461 0.000 0.445 289 E N 0.961 120.922 120.200 -0.399 0.000 2.250 289 E HA 0.085 nan 4.350 nan 0.000 0.265 289 E C 0.687 177.236 176.600 -0.086 0.000 1.033 289 E CA -0.760 55.520 56.400 -0.200 0.000 0.888 289 E CB 0.891 30.512 29.700 -0.131 0.000 1.151 289 E HN -0.611 7.689 8.360 -0.345 -0.147 0.412 290 G N -0.221 108.545 108.800 -0.056 0.000 2.162 290 G HA2 -0.343 nan 3.960 nan 0.000 0.260 290 G HA3 -0.343 nan 3.960 nan 0.000 0.260 290 G C -0.620 174.275 174.900 -0.010 0.000 0.976 290 G CA 0.253 45.341 45.100 -0.020 0.000 0.655 290 G HN 0.434 8.681 8.290 -0.070 0.000 0.533 291 K N -0.859 119.528 120.400 -0.021 0.000 2.350 291 K HA 0.358 nan 4.320 nan 0.000 0.241 291 K C -1.989 174.578 176.600 -0.055 0.000 0.994 291 K CA -1.679 54.572 56.287 -0.061 0.000 0.839 291 K CB 2.313 34.685 32.500 -0.213 0.000 1.244 291 K HN -0.610 7.585 8.250 -0.029 0.038 0.443 292 A N 1.183 123.973 122.820 -0.051 0.000 2.984 292 A HA 0.409 nan 4.320 nan 0.000 0.320 292 A C -2.711 174.859 177.584 -0.023 0.000 1.142 292 A CA -1.773 50.245 52.037 -0.031 0.000 0.772 292 A CB 0.574 19.561 19.000 -0.021 0.000 1.195 292 A HN 0.380 8.501 8.150 -0.048 0.000 0.459 293 P HA 0.691 nan 4.420 nan 0.000 0.286 293 P C -2.005 175.247 177.300 -0.081 0.000 1.292 293 P CA -1.829 61.256 63.100 -0.026 0.000 0.842 293 P CB 1.616 33.315 31.700 -0.000 0.000 1.207 294 F N 1.013 120.804 119.950 -0.265 0.000 2.413 294 F HA 0.063 nan 4.527 nan 0.000 0.359 294 F C -1.240 174.487 175.800 -0.122 0.000 1.122 294 F CA -0.801 56.944 58.000 -0.426 0.000 1.160 294 F CB 1.006 39.783 39.000 -0.372 0.000 1.146 294 F HN 0.264 8.481 8.300 0.057 0.117 0.514 295 V N 10.017 129.918 119.914 -0.022 0.000 2.406 295 V HA 0.297 nan 4.120 nan 0.000 0.272 295 V C -1.324 174.801 176.094 0.051 0.000 1.043 295 V CA -0.552 61.792 62.300 0.074 0.000 0.915 295 V CB -0.067 31.796 31.823 0.067 0.000 0.988 295 V HN 0.144 8.399 8.190 0.109 0.000 0.466 296 I N 7.134 127.792 120.570 0.146 0.000 2.330 296 I HA 0.456 nan 4.170 nan 0.000 0.289 296 I C -1.806 174.365 176.117 0.090 0.000 1.001 296 I CA -1.177 60.222 61.300 0.166 0.000 1.193 296 I CB 1.621 39.773 38.000 0.254 0.000 1.345 296 I HN 0.789 9.091 8.210 0.152 0.000 0.461 297 L N 9.029 130.283 121.223 0.052 0.000 2.261 297 L HA 0.515 nan 4.340 nan 0.000 0.289 297 L C -1.784 175.092 176.870 0.010 0.000 1.059 297 L CA -1.171 53.684 54.840 0.025 0.000 0.816 297 L CB 1.564 43.628 42.059 0.009 0.000 1.191 297 L HN 1.026 9.176 8.230 0.047 0.109 0.431 298 M N 8.065 127.664 119.600 -0.003 0.000 2.077 298 M HA 0.350 nan 4.480 nan 0.000 0.348 298 M C -1.364 174.884 176.300 -0.086 0.000 1.252 298 M CA -1.679 53.595 55.300 -0.044 0.000 1.096 298 M CB -1.382 31.193 32.600 -0.041 0.000 1.568 298 M HN 0.663 8.957 8.290 0.007 0.000 0.456 299 V N -2.938 116.878 119.914 -0.164 0.000 2.881 299 V HA 0.825 nan 4.120 nan 0.000 0.316 299 V C -1.583 174.175 176.094 -0.559 0.000 1.070 299 V CA -3.411 58.720 62.300 -0.282 0.000 0.976 299 V CB 2.380 34.051 31.823 -0.254 0.000 1.038 299 V HN 0.832 8.814 8.190 -0.167 0.108 0.446 300 G N -0.777 107.581 108.800 -0.737 0.000 2.361 300 G HA2 -0.094 nan 3.960 nan 0.000 0.305 300 G HA3 -0.094 nan 3.960 nan 0.000 0.305 300 G C -1.989 172.839 174.900 -0.121 0.000 1.367 300 G CA -0.079 44.599 45.100 -0.703 0.000 0.951 300 G HN -0.352 7.658 8.290 -0.466 0.000 0.615 301 V N -0.688 119.238 119.914 0.020 0.000 3.264 301 V HA 0.007 nan 4.120 nan 0.000 0.304 301 V C 0.553 176.666 176.094 0.031 0.000 1.086 301 V CA -0.144 62.220 62.300 0.107 0.000 1.090 301 V CB 0.362 32.257 31.823 0.119 0.000 1.112 301 V HN 0.350 8.524 8.190 -0.028 0.000 0.472 302 N N 2.938 121.661 118.700 0.039 0.000 2.467 302 N HA -0.075 nan 4.740 nan 0.000 0.262 302 N C 0.763 176.274 175.510 0.003 0.000 1.234 302 N CA 1.110 54.169 53.050 0.015 0.000 0.952 302 N CB 0.397 38.898 38.487 0.023 0.000 1.158 302 N HN 0.251 8.665 8.380 0.058 0.000 0.463 303 G N -1.279 107.514 108.800 -0.011 0.000 2.225 303 G HA2 -0.442 nan 3.960 nan 0.000 0.267 303 G HA3 -0.442 nan 3.960 nan 0.000 0.267 303 G C -0.663 174.224 174.900 -0.021 0.000 1.024 303 G CA 1.113 46.203 45.100 -0.016 0.000 0.784 303 G HN 0.464 8.745 8.290 -0.015 0.000 0.507 304 V N -1.440 118.455 119.914 -0.032 0.000 3.643 304 V HA 0.163 nan 4.120 nan 0.000 0.280 304 V C -0.727 175.332 176.094 -0.058 0.000 1.351 304 V CA -1.015 61.262 62.300 -0.040 0.000 1.073 304 V CB 0.411 32.207 31.823 -0.044 0.000 0.863 304 V HN -0.141 7.990 8.190 -0.035 0.039 0.436 305 G N -2.201 106.559 108.800 -0.066 0.000 2.255 305 G HA2 -0.387 nan 3.960 nan 0.000 0.196 305 G HA3 -0.387 nan 3.960 nan 0.000 0.196 305 G C 0.681 175.517 174.900 -0.108 0.000 0.998 305 G CA 0.283 45.332 45.100 -0.085 0.000 0.656 305 G HN -0.219 7.982 8.290 -0.059 0.054 0.490 306 K N 1.727 122.065 120.400 -0.103 0.000 2.030 306 K HA -0.537 nan 4.320 nan 0.000 0.222 306 K C 1.383 177.904 176.600 -0.131 0.000 1.056 306 K CA 3.861 60.080 56.287 -0.113 0.000 0.957 306 K CB -0.599 31.843 32.500 -0.097 0.000 0.727 306 K HN 0.383 8.578 8.250 -0.092 0.000 0.452 307 T N -1.068 113.412 114.554 -0.124 0.000 2.803 307 T HA -0.204 nan 4.350 nan 0.000 0.269 307 T C 2.645 177.202 174.700 -0.239 0.000 1.052 307 T CA 4.152 66.158 62.100 -0.156 0.000 1.136 307 T CB -0.708 68.086 68.868 -0.124 0.000 0.864 307 T HN 0.346 8.526 8.240 -0.100 0.000 0.467 308 T N 5.008 119.433 114.554 -0.215 0.000 2.812 308 T HA -0.128 nan 4.350 nan 0.000 0.264 308 T C 1.707 176.245 174.700 -0.270 0.000 1.042 308 T CA 4.831 66.777 62.100 -0.257 0.000 1.140 308 T CB -0.520 68.240 68.868 -0.180 0.000 0.870 308 T HN -0.264 7.859 8.240 -0.166 0.017 0.445 309 T N 5.360 119.784 114.554 -0.217 0.000 2.788 309 T HA -0.280 nan 4.350 nan 0.000 0.268 309 T C 1.775 176.316 174.700 -0.264 0.000 1.044 309 T CA 5.337 67.301 62.100 -0.226 0.000 1.139 309 T CB -0.765 67.993 68.868 -0.184 0.000 0.867 309 T HN 0.284 8.239 8.240 -0.183 0.175 0.454 310 I N 0.466 120.893 120.570 -0.238 0.000 2.163 310 I HA -0.544 nan 4.170 nan 0.000 0.243 310 I C 1.633 177.570 176.117 -0.299 0.000 1.085 310 I CA 4.175 65.348 61.300 -0.212 0.000 1.347 310 I CB -0.469 37.435 38.000 -0.160 0.000 1.044 310 I HN 0.493 8.566 8.210 -0.216 0.007 0.408 311 G N -1.119 107.376 108.800 -0.509 0.000 2.421 311 G HA2 -0.373 nan 3.960 nan 0.000 0.216 311 G HA3 -0.373 nan 3.960 nan 0.000 0.216 311 G C 0.939 175.582 174.900 -0.429 0.000 1.171 311 G CA 2.001 46.563 45.100 -0.897 0.000 0.775 311 G HN -0.388 7.537 8.290 -0.485 0.074 0.543 312 K N 2.567 122.762 120.400 -0.342 0.000 2.057 312 K HA -0.319 nan 4.320 nan 0.000 0.207 312 K C 2.389 178.806 176.600 -0.305 0.000 1.049 312 K CA 3.143 59.285 56.287 -0.241 0.000 0.931 312 K CB -0.155 32.204 32.500 -0.234 0.000 0.714 312 K HN -0.226 7.800 8.250 -0.374 0.000 0.440 313 L N -1.220 119.754 121.223 -0.414 0.000 2.046 313 L HA -0.330 nan 4.340 nan 0.000 0.208 313 L C 1.689 178.145 176.870 -0.689 0.000 1.077 313 L CA 2.656 57.090 54.840 -0.678 0.000 0.747 313 L CB -0.819 40.904 42.059 -0.561 0.000 0.896 313 L HN 0.176 8.081 8.230 -0.368 0.105 0.432 314 A N -1.023 121.655 122.820 -0.236 0.000 1.877 314 A HA -0.343 nan 4.320 nan 0.000 0.216 314 A C 2.271 179.880 177.584 0.041 0.000 1.186 314 A CA 3.363 55.422 52.037 0.038 0.000 0.620 314 A CB -0.817 18.324 19.000 0.234 0.000 0.822 314 A HN 0.195 8.231 8.150 -0.190 0.000 0.443 315 R N -2.130 118.408 120.500 0.062 0.000 2.091 315 R HA -0.352 nan 4.340 nan 0.000 0.238 315 R C 2.809 179.088 176.300 -0.035 0.000 1.136 315 R CA 2.694 58.833 56.100 0.065 0.000 0.959 315 R CB -0.652 29.714 30.300 0.111 0.000 0.856 315 R HN -0.250 8.064 8.270 0.074 0.000 0.437 316 Q N -1.001 118.690 119.800 -0.182 0.000 2.084 316 Q HA -0.283 nan 4.340 nan 0.000 0.202 316 Q C 2.898 178.851 176.000 -0.078 0.000 0.978 316 Q CA 3.054 58.742 55.803 -0.192 0.000 0.844 316 Q CB -0.053 28.483 28.738 -0.337 0.000 0.898 316 Q HN -0.191 7.850 8.270 -0.262 0.072 0.426 317 F N -1.722 118.231 119.950 0.005 0.000 2.146 317 F HA -0.280 nan 4.527 nan 0.000 0.298 317 F C 2.451 178.253 175.800 0.004 0.000 1.096 317 F CA 1.630 59.629 58.000 -0.002 0.000 1.275 317 F CB -0.711 38.284 39.000 -0.009 0.000 1.008 317 F HN -0.121 7.883 8.300 -0.494 0.000 0.480 318 E N -1.573 118.738 120.200 0.185 0.000 2.110 318 E HA -0.375 nan 4.350 nan 0.000 0.193 318 E C 2.952 179.593 176.600 0.070 0.000 0.988 318 E CA 3.340 59.804 56.400 0.106 0.000 0.804 318 E CB -0.616 29.129 29.700 0.075 0.000 0.745 318 E HN -0.032 8.424 8.360 0.160 0.000 0.458 319 Q N -0.447 119.388 119.800 0.058 0.000 2.364 319 Q HA -0.221 nan 4.340 nan 0.000 0.207 319 Q C 1.406 177.434 176.000 0.047 0.000 0.970 319 Q CA 2.212 58.039 55.803 0.039 0.000 0.888 319 Q CB -0.139 28.613 28.738 0.024 0.000 0.951 319 Q HN -0.140 8.074 8.270 0.055 0.089 0.469 320 Q N -3.589 116.255 119.800 0.074 0.000 2.319 320 Q HA 0.065 nan 4.340 nan 0.000 0.202 320 Q C -0.014 176.015 176.000 0.049 0.000 0.896 320 Q CA -0.435 55.409 55.803 0.069 0.000 0.942 320 Q CB 0.928 29.730 28.738 0.106 0.000 1.083 320 Q HN -0.627 7.503 8.270 0.101 0.201 0.510 321 G N -1.293 107.535 108.800 0.047 0.000 2.131 321 G HA2 -0.293 nan 3.960 nan 0.000 0.201 321 G HA3 -0.293 nan 3.960 nan 0.000 0.201 321 G C -1.250 173.665 174.900 0.025 0.000 1.000 321 G CA -0.071 45.046 45.100 0.028 0.000 0.680 321 G HN -0.085 8.053 8.290 0.057 0.185 0.514 322 K N -0.942 119.484 120.400 0.043 0.000 2.378 322 K HA 0.405 nan 4.320 nan 0.000 0.252 322 K C -1.411 175.217 176.600 0.046 0.000 0.931 322 K CA -1.969 54.333 56.287 0.024 0.000 0.794 322 K CB 2.580 35.070 32.500 -0.017 0.000 1.181 322 K HN -0.618 7.676 8.250 0.074 0.000 0.425 323 S N 1.078 116.793 115.700 0.026 0.000 2.548 323 S HA 0.206 nan 4.470 nan 0.000 0.277 323 S C -0.781 173.849 174.600 0.051 0.000 1.315 323 S CA 0.020 58.241 58.200 0.035 0.000 1.050 323 S CB 0.878 64.088 63.200 0.017 0.000 0.918 323 S HN -0.113 8.417 8.310 0.009 -0.214 0.497 324 V N 3.207 123.168 119.914 0.079 0.000 2.864 324 V HA 0.683 nan 4.120 nan 0.000 0.314 324 V C -1.473 174.675 176.094 0.091 0.000 1.073 324 V CA -1.302 61.064 62.300 0.111 0.000 0.956 324 V CB 2.969 34.907 31.823 0.193 0.000 1.023 324 V HN -0.034 8.427 8.190 0.073 -0.227 0.435 325 M N 4.707 124.362 119.600 0.092 0.000 2.446 325 M HA 0.641 nan 4.480 nan 0.000 0.294 325 M C -2.265 174.092 176.300 0.094 0.000 1.158 325 M CA -0.957 54.389 55.300 0.078 0.000 0.899 325 M CB 3.941 36.571 32.600 0.049 0.000 1.687 325 M HN 0.564 8.914 8.290 0.099 0.000 0.455 326 L N 2.252 123.532 121.223 0.096 0.000 2.330 326 L HA 0.976 nan 4.340 nan 0.000 0.271 326 L C -1.906 175.004 176.870 0.068 0.000 1.013 326 L CA -1.742 53.154 54.840 0.094 0.000 0.816 326 L CB 2.751 44.883 42.059 0.122 0.000 1.287 326 L HN 0.839 9.123 8.230 0.091 0.000 0.435 327 A N -0.014 122.840 122.820 0.056 0.000 2.353 327 A HA 0.724 nan 4.320 nan 0.000 0.299 327 A C -2.232 175.371 177.584 0.033 0.000 1.089 327 A CA -1.350 50.713 52.037 0.043 0.000 0.736 327 A CB 2.664 21.688 19.000 0.040 0.000 1.195 327 A HN 0.601 8.784 8.150 0.056 0.000 0.447 328 A N 4.953 127.789 122.820 0.026 0.000 2.922 328 A HA 0.333 nan 4.320 nan 0.000 0.298 328 A C 0.075 177.661 177.584 0.003 0.000 1.588 328 A CA -1.315 50.730 52.037 0.014 0.000 1.288 328 A CB -0.707 18.299 19.000 0.011 0.000 1.130 328 A HN 0.325 8.492 8.150 0.029 0.000 0.557 329 G N -0.954 107.852 108.800 0.009 0.000 2.813 329 G HA2 -0.132 nan 3.960 nan 0.000 0.209 329 G HA3 -0.132 nan 3.960 nan 0.000 0.209 329 G C -0.473 174.432 174.900 0.009 0.000 1.150 329 G CA 0.323 45.427 45.100 0.008 0.000 0.785 329 G HN -0.569 7.698 8.290 0.014 0.031 0.535 330 D N 0.282 120.689 120.400 0.012 0.000 2.845 330 D HA 0.091 nan 4.640 nan 0.000 0.235 330 D C 0.630 176.936 176.300 0.010 0.000 1.158 330 D CA -1.216 52.806 54.000 0.036 0.000 0.990 330 D CB -1.162 39.659 40.800 0.036 0.000 1.094 330 D HN -0.417 7.903 8.370 0.008 0.054 0.486 331 T N -2.007 112.514 114.554 -0.055 0.000 2.897 331 T HA -0.219 nan 4.350 nan 0.000 0.271 331 T C 1.748 176.274 174.700 -0.290 0.000 1.084 331 T CA 2.721 64.702 62.100 -0.199 0.000 1.123 331 T CB -0.662 68.017 68.868 -0.315 0.000 0.865 331 T HN -0.163 7.986 8.240 -0.041 0.066 0.496 332 F N 1.815 121.747 119.950 -0.029 0.000 2.530 332 F HA 0.055 nan 4.527 nan 0.000 0.292 332 F C 0.417 176.204 175.800 -0.022 0.000 1.109 332 F CA 1.140 59.120 58.000 -0.033 0.000 1.450 332 F CB 0.331 39.324 39.000 -0.011 0.000 1.114 332 F HN -0.448 7.888 8.300 0.135 0.044 0.560 333 R N 2.028 122.623 120.500 0.159 0.000 2.878 333 R HA -0.038 nan 4.340 nan 0.000 0.239 333 R C 0.104 176.433 176.300 0.048 0.000 1.515 333 R CA -0.966 55.189 56.100 0.091 0.000 1.210 333 R CB -1.235 29.107 30.300 0.070 0.000 1.209 333 R HN -0.588 7.773 8.270 0.151 0.000 0.610 334 A N 5.481 128.329 122.820 0.045 0.000 2.032 334 A HA -0.316 nan 4.320 nan 0.000 0.221 334 A C 0.929 178.526 177.584 0.022 0.000 1.165 334 A CA 3.085 55.135 52.037 0.023 0.000 0.645 334 A CB -0.549 18.467 19.000 0.028 0.000 0.807 334 A HN -0.070 8.092 8.150 0.068 0.029 0.453 335 A N -1.748 121.087 122.820 0.025 0.000 1.873 335 A HA -0.253 nan 4.320 nan 0.000 0.215 335 A C 1.746 179.338 177.584 0.014 0.000 1.186 335 A CA 2.471 54.519 52.037 0.019 0.000 0.616 335 A CB -0.855 18.155 19.000 0.016 0.000 0.823 335 A HN 0.088 8.228 8.150 0.030 0.029 0.442 336 A N -1.614 121.213 122.820 0.011 0.000 1.902 336 A HA -0.235 nan 4.320 nan 0.000 0.217 336 A C 2.238 179.826 177.584 0.006 0.000 1.181 336 A CA 2.994 55.031 52.037 0.000 0.000 0.623 336 A CB -0.812 18.187 19.000 -0.001 0.000 0.818 336 A HN -0.458 7.702 8.150 0.016 0.000 0.443 337 V N -0.965 118.955 119.914 0.010 0.000 2.295 337 V HA -0.529 nan 4.120 nan 0.000 0.246 337 V C 1.969 178.079 176.094 0.027 0.000 1.049 337 V CA 4.408 66.715 62.300 0.012 0.000 1.024 337 V CB -0.976 30.846 31.823 -0.003 0.000 0.648 337 V HN -0.151 8.046 8.190 0.011 0.000 0.447 338 E N -0.860 119.356 120.200 0.027 0.000 2.058 338 E HA -0.510 nan 4.350 nan 0.000 0.194 338 E C 1.599 178.231 176.600 0.054 0.000 0.997 338 E CA 3.351 59.773 56.400 0.037 0.000 0.801 338 E CB -0.400 29.319 29.700 0.032 0.000 0.746 338 E HN -0.416 7.956 8.360 0.021 0.000 0.450 339 Q N -0.507 119.320 119.800 0.044 0.000 2.030 339 Q HA -0.326 nan 4.340 nan 0.000 0.204 339 Q C 2.632 178.694 176.000 0.103 0.000 0.986 339 Q CA 3.265 59.101 55.803 0.055 0.000 0.843 339 Q CB -0.026 28.714 28.738 0.003 0.000 0.904 339 Q HN -0.221 8.067 8.270 0.029 0.000 0.420 340 L N -2.019 119.249 121.223 0.075 0.000 2.079 340 L HA -0.437 nan 4.340 nan 0.000 0.210 340 L C 2.498 179.483 176.870 0.193 0.000 1.081 340 L CA 2.893 57.810 54.840 0.130 0.000 0.752 340 L CB -0.424 41.679 42.059 0.073 0.000 0.896 340 L HN -0.159 8.094 8.230 0.039 0.000 0.433 341 Q N -0.958 118.916 119.800 0.123 0.000 1.990 341 Q HA -0.381 nan 4.340 nan 0.000 0.200 341 Q C 2.555 178.615 176.000 0.101 0.000 0.980 341 Q CA 3.537 59.399 55.803 0.099 0.000 0.832 341 Q CB -0.025 28.750 28.738 0.062 0.000 0.897 341 Q HN -0.354 7.961 8.270 0.091 0.010 0.427 342 V N 0.422 120.398 119.914 0.104 0.000 2.343 342 V HA -0.348 nan 4.120 nan 0.000 0.247 342 V C 0.952 177.109 176.094 0.105 0.000 1.051 342 V CA 4.134 66.485 62.300 0.085 0.000 1.036 342 V CB -0.551 31.320 31.823 0.081 0.000 0.654 342 V HN -0.163 8.087 8.190 0.100 0.000 0.451 343 W N 0.154 121.451 121.300 -0.005 0.000 2.355 343 W HA -0.322 nan 4.660 nan 0.000 0.309 343 W C 1.904 178.419 176.519 -0.006 0.000 1.206 343 W CA 4.160 61.501 57.345 -0.008 0.000 1.284 343 W CB 0.082 29.535 29.460 -0.011 0.000 1.145 343 W HN -0.101 8.268 8.180 0.315 0.000 0.502 344 G N -3.083 105.819 108.800 0.170 0.000 2.422 344 G HA2 -0.504 nan 3.960 nan 0.000 0.218 344 G HA3 -0.504 nan 3.960 nan 0.000 0.218 344 G C 1.041 175.846 174.900 -0.158 0.000 1.146 344 G CA 1.839 46.925 45.100 -0.023 0.000 0.769 344 G HN 0.208 8.593 8.290 0.343 0.111 0.547 345 Q N 2.891 122.640 119.800 -0.085 0.000 2.020 345 Q HA -0.251 nan 4.340 nan 0.000 0.202 345 Q C 2.814 178.725 176.000 -0.148 0.000 0.982 345 Q CA 3.354 59.105 55.803 -0.086 0.000 0.838 345 Q CB 0.071 28.787 28.738 -0.037 0.000 0.899 345 Q HN -0.009 8.240 8.270 -0.017 0.011 0.423 346 R N -1.732 118.653 120.500 -0.192 0.000 2.316 346 R HA -0.132 nan 4.340 nan 0.000 0.202 346 R C 0.797 176.905 176.300 -0.320 0.000 1.029 346 R CA 2.080 58.051 56.100 -0.214 0.000 1.018 346 R CB -0.482 29.712 30.300 -0.177 0.000 0.888 346 R HN -0.202 7.966 8.270 -0.171 0.000 0.471 347 N N -2.279 116.144 118.700 -0.461 0.000 2.187 347 N HA -0.024 nan 4.740 nan 0.000 0.212 347 N C -0.888 174.442 175.510 -0.300 0.000 1.152 347 N CA -0.347 52.402 53.050 -0.501 0.000 0.872 347 N CB 0.291 38.193 38.487 -0.976 0.000 1.025 347 N HN -0.732 7.178 8.380 -0.471 0.187 0.514 348 N N -0.233 118.338 118.700 -0.214 0.000 2.735 348 N HA -0.466 nan 4.740 nan 0.000 0.248 348 N C -0.997 174.456 175.510 -0.096 0.000 1.083 348 N CA 1.531 54.506 53.050 -0.125 0.000 0.703 348 N CB -0.703 37.726 38.487 -0.096 0.000 1.005 348 N HN -0.326 7.730 8.380 -0.222 0.191 0.550 349 I N -0.095 120.409 120.570 -0.110 0.000 2.355 349 I HA 0.315 nan 4.170 nan 0.000 0.288 349 I C -2.551 173.567 176.117 0.002 0.000 0.999 349 I CA -2.878 58.400 61.300 -0.037 0.000 1.163 349 I CB 1.417 39.410 38.000 -0.011 0.000 1.316 349 I HN 0.130 8.114 8.210 -0.167 0.125 0.454 350 P HA 0.005 nan 4.420 nan 0.000 0.263 350 P C -1.744 175.586 177.300 0.048 0.000 1.195 350 P CA 0.041 63.155 63.100 0.024 0.000 0.762 350 P CB 0.219 31.930 31.700 0.019 0.000 0.799 351 V N 2.994 122.937 119.914 0.049 0.000 2.409 351 V HA 0.461 nan 4.120 nan 0.000 0.291 351 V C -0.133 175.989 176.094 0.047 0.000 1.020 351 V CA -1.468 60.870 62.300 0.063 0.000 0.848 351 V CB 1.371 33.242 31.823 0.080 0.000 0.990 351 V HN -0.096 8.116 8.190 0.037 0.000 0.430 352 I N 7.894 128.490 120.570 0.045 0.000 2.301 352 I HA 0.256 nan 4.170 nan 0.000 0.292 352 I C -1.663 174.475 176.117 0.034 0.000 1.046 352 I CA -1.288 60.034 61.300 0.037 0.000 1.282 352 I CB -1.179 36.843 38.000 0.037 0.000 1.409 352 I HN 1.055 9.183 8.210 0.049 0.111 0.484 353 A N 6.235 129.073 122.820 0.030 0.000 2.449 353 A HA 0.443 nan 4.320 nan 0.000 0.302 353 A C -1.597 175.999 177.584 0.019 0.000 1.048 353 A CA -0.292 51.757 52.037 0.020 0.000 0.708 353 A CB 2.403 21.416 19.000 0.022 0.000 1.274 353 A HN 0.166 8.334 8.150 0.031 0.000 0.410 354 Q N 0.702 120.506 119.800 0.006 0.000 2.814 354 Q HA 0.232 nan 4.340 nan 0.000 0.283 354 Q C -0.956 175.051 176.000 0.013 0.000 1.071 354 Q CA -1.267 54.547 55.803 0.019 0.000 0.849 354 Q CB 2.928 31.676 28.738 0.017 0.000 1.437 354 Q HN 0.317 8.580 8.270 -0.013 0.000 0.492 355 H N 0.557 119.600 119.070 -0.045 0.000 2.972 355 H HA -0.056 nan 4.556 nan 0.000 0.343 355 H C -0.049 175.217 175.328 -0.104 0.000 1.054 355 H CA 0.212 56.227 56.048 -0.055 0.000 1.412 355 H CB 1.206 30.941 29.762 -0.044 0.000 1.385 355 H HN 0.199 8.566 8.280 0.145 0.000 0.600 356 T N 5.538 119.660 114.554 -0.720 0.000 2.822 356 T HA -0.307 nan 4.350 nan 0.000 0.288 356 T C 0.065 174.170 174.700 -0.992 0.000 0.991 356 T CA 1.773 63.469 62.100 -0.675 0.000 1.176 356 T CB -0.685 67.970 68.868 -0.355 0.000 0.951 356 T HN 0.292 8.304 8.240 -0.380 0.000 0.526 357 G N 6.753 114.926 108.800 -1.045 0.000 2.175 357 G HA2 -0.431 nan 3.960 nan 0.000 0.244 357 G HA3 -0.431 nan 3.960 nan 0.000 0.244 357 G C -0.726 173.760 174.900 -0.690 0.000 0.982 357 G CA -0.257 43.972 45.100 -1.451 0.000 0.641 357 G HN 0.295 7.929 8.290 -0.881 0.127 0.527 358 A N 0.709 123.267 122.820 -0.437 0.000 2.492 358 A HA -0.081 nan 4.320 nan 0.000 0.236 358 A C -0.688 176.806 177.584 -0.150 0.000 1.078 358 A CA 0.361 52.296 52.037 -0.170 0.000 0.773 358 A CB 0.901 19.852 19.000 -0.083 0.000 1.023 358 A HN -0.391 7.409 8.150 -0.497 0.052 0.504 359 D N -0.324 120.043 120.400 -0.056 0.000 2.412 359 D HA -0.147 nan 4.640 nan 0.000 0.257 359 D C 1.146 177.436 176.300 -0.017 0.000 1.217 359 D CA 0.740 54.729 54.000 -0.019 0.000 0.897 359 D CB 0.568 41.367 40.800 -0.001 0.000 1.132 359 D HN 0.166 8.517 8.370 -0.031 0.000 0.493 360 S N 8.059 123.754 115.700 -0.008 0.000 2.368 360 S HA -0.464 nan 4.470 nan 0.000 0.226 360 S C 1.182 175.798 174.600 0.025 0.000 1.044 360 S CA 3.555 61.758 58.200 0.004 0.000 1.062 360 S CB -0.180 63.035 63.200 0.025 0.000 0.931 360 S HN 0.386 8.699 8.310 0.006 0.000 0.440 361 A N -1.337 121.502 122.820 0.031 0.000 2.024 361 A HA -0.203 nan 4.320 nan 0.000 0.220 361 A C 2.254 179.884 177.584 0.077 0.000 1.164 361 A CA 2.780 54.847 52.037 0.050 0.000 0.643 361 A CB -0.874 18.147 19.000 0.035 0.000 0.806 361 A HN 0.538 8.704 8.150 0.026 0.000 0.451 362 S N -0.466 115.258 115.700 0.040 0.000 2.377 362 S HA -0.179 nan 4.470 nan 0.000 0.223 362 S C 2.046 176.711 174.600 0.109 0.000 1.030 362 S CA 3.765 61.989 58.200 0.041 0.000 0.970 362 S CB -0.117 63.073 63.200 -0.016 0.000 0.830 362 S HN -0.497 7.807 8.310 0.018 0.017 0.473 363 V N 3.160 123.114 119.914 0.066 0.000 2.295 363 V HA -0.419 nan 4.120 nan 0.000 0.246 363 V C 1.730 177.876 176.094 0.087 0.000 1.049 363 V CA 4.628 66.966 62.300 0.063 0.000 1.024 363 V CB -0.846 30.991 31.823 0.023 0.000 0.648 363 V HN -0.310 7.902 8.190 0.037 0.000 0.447 364 I N -1.151 119.472 120.570 0.089 0.000 2.394 364 I HA -0.495 nan 4.170 nan 0.000 0.251 364 I C 1.517 177.702 176.117 0.113 0.000 1.136 364 I CA 3.913 65.262 61.300 0.082 0.000 1.425 364 I CB -0.236 37.804 38.000 0.067 0.000 1.079 364 I HN -0.132 8.124 8.210 0.077 0.000 0.425 365 F N 1.505 121.456 119.950 0.003 0.000 2.146 365 F HA -0.447 nan 4.527 nan 0.000 0.298 365 F C 1.027 176.830 175.800 0.006 0.000 1.096 365 F CA 3.985 61.987 58.000 0.003 0.000 1.275 365 F CB 0.080 39.081 39.000 0.001 0.000 1.008 365 F HN -0.370 8.005 8.300 0.280 0.093 0.480 366 D N 0.028 120.603 120.400 0.291 0.000 2.144 366 D HA -0.353 nan 4.640 nan 0.000 0.200 366 D C 2.382 178.702 176.300 0.034 0.000 0.978 366 D CA 3.605 57.706 54.000 0.168 0.000 0.833 366 D CB -0.742 40.151 40.800 0.155 0.000 0.961 366 D HN 0.260 8.822 8.370 0.320 0.000 0.470 367 A N -0.091 122.749 122.820 0.034 0.000 1.933 367 A HA -0.206 nan 4.320 nan 0.000 0.218 367 A C 2.301 179.867 177.584 -0.029 0.000 1.175 367 A CA 3.113 55.156 52.037 0.011 0.000 0.628 367 A CB -0.582 18.434 19.000 0.028 0.000 0.814 367 A HN 0.176 8.185 8.150 0.067 0.182 0.444 368 I N -1.201 119.324 120.570 -0.075 0.000 2.252 368 I HA -0.576 nan 4.170 nan 0.000 0.245 368 I C 1.618 177.642 176.117 -0.156 0.000 1.102 368 I CA 3.906 65.136 61.300 -0.115 0.000 1.385 368 I CB -0.244 37.659 38.000 -0.162 0.000 1.064 368 I HN 0.015 8.099 8.210 -0.070 0.085 0.414 369 Q N 0.220 119.875 119.800 -0.241 0.000 2.061 369 Q HA -0.425 nan 4.340 nan 0.000 0.204 369 Q C 2.310 178.253 176.000 -0.094 0.000 0.984 369 Q CA 3.701 59.376 55.803 -0.213 0.000 0.846 369 Q CB -0.012 28.582 28.738 -0.240 0.000 0.902 369 Q HN -0.051 8.040 8.270 -0.298 0.000 0.421 370 A N -1.668 121.119 122.820 -0.056 0.000 1.933 370 A HA -0.278 nan 4.320 nan 0.000 0.218 370 A C 1.781 179.351 177.584 -0.022 0.000 1.175 370 A CA 2.777 54.800 52.037 -0.023 0.000 0.628 370 A CB -0.883 18.115 19.000 -0.003 0.000 0.814 370 A HN 0.266 8.277 8.150 -0.056 0.106 0.444 371 A N -1.690 121.115 122.820 -0.026 0.000 1.908 371 A HA -0.337 nan 4.320 nan 0.000 0.218 371 A C 2.189 179.759 177.584 -0.023 0.000 1.181 371 A CA 3.245 55.272 52.037 -0.017 0.000 0.627 371 A CB -0.823 18.169 19.000 -0.012 0.000 0.818 371 A HN 0.065 8.019 8.150 -0.035 0.175 0.445 372 K N -1.805 118.572 120.400 -0.039 0.000 2.097 372 K HA -0.278 nan 4.320 nan 0.000 0.205 372 K C 2.809 179.393 176.600 -0.027 0.000 1.050 372 K CA 3.004 59.269 56.287 -0.036 0.000 0.938 372 K CB -0.069 32.400 32.500 -0.053 0.000 0.718 372 K HN -0.172 8.046 8.250 -0.055 0.000 0.442 373 A N 0.119 122.923 122.820 -0.026 0.000 1.898 373 A HA -0.095 nan 4.320 nan 0.000 0.216 373 A C 1.543 179.120 177.584 -0.011 0.000 1.181 373 A CA 2.517 54.544 52.037 -0.017 0.000 0.620 373 A CB -0.326 18.665 19.000 -0.014 0.000 0.819 373 A HN -0.477 7.570 8.150 -0.033 0.083 0.442 374 R N -3.092 117.402 120.500 -0.010 0.000 2.391 374 R HA 0.074 nan 4.340 nan 0.000 0.249 374 R C -0.976 175.321 176.300 -0.006 0.000 0.957 374 R CA -0.702 55.395 56.100 -0.006 0.000 1.093 374 R CB -0.313 29.985 30.300 -0.002 0.000 1.156 374 R HN -0.448 7.814 8.270 -0.012 0.000 0.526 375 N N -0.276 118.419 118.700 -0.009 0.000 2.669 375 N HA -0.361 nan 4.740 nan 0.000 0.266 375 N C -0.572 174.933 175.510 -0.008 0.000 1.024 375 N CA 0.948 53.992 53.050 -0.010 0.000 0.766 375 N CB -0.730 37.752 38.487 -0.009 0.000 0.898 375 N HN -0.497 7.774 8.380 -0.011 0.102 0.548 376 I N -0.269 120.297 120.570 -0.006 0.000 2.440 376 I HA -0.058 nan 4.170 nan 0.000 0.294 376 I C -0.870 175.241 176.117 -0.010 0.000 0.995 376 I CA -1.127 60.172 61.300 -0.001 0.000 1.306 376 I CB 0.146 38.151 38.000 0.008 0.000 1.407 376 I HN 0.038 8.243 8.210 -0.009 0.000 0.501 377 D N 4.393 124.783 120.400 -0.017 0.000 2.216 377 D HA 0.096 nan 4.640 nan 0.000 0.208 377 D C -0.186 176.082 176.300 -0.052 0.000 0.960 377 D CA 2.435 56.409 54.000 -0.043 0.000 0.861 377 D CB 1.644 42.406 40.800 -0.064 0.000 0.985 377 D HN -0.058 8.307 8.370 -0.008 0.000 0.493 378 V N -1.368 118.521 119.914 -0.042 0.000 2.577 378 V HA 0.599 nan 4.120 nan 0.000 0.303 378 V C -2.108 174.016 176.094 0.049 0.000 1.042 378 V CA -1.108 61.172 62.300 -0.034 0.000 0.872 378 V CB 2.870 34.566 31.823 -0.211 0.000 0.998 378 V HN -0.232 7.948 8.190 -0.017 0.000 0.423 379 L N 6.689 127.958 121.223 0.077 0.000 2.305 379 L HA 0.903 nan 4.340 nan 0.000 0.284 379 L C -2.187 174.749 176.870 0.110 0.000 1.013 379 L CA -1.355 53.533 54.840 0.080 0.000 0.819 379 L CB 2.463 44.553 42.059 0.052 0.000 1.227 379 L HN 0.578 8.865 8.230 0.095 0.000 0.417 380 I N 6.656 127.296 120.570 0.117 0.000 2.355 380 I HA 0.469 nan 4.170 nan 0.000 0.288 380 I C -2.132 174.029 176.117 0.075 0.000 0.999 380 I CA -1.178 60.193 61.300 0.117 0.000 1.163 380 I CB 1.220 39.303 38.000 0.138 0.000 1.316 380 I HN 0.907 9.184 8.210 0.113 0.000 0.454 381 A N 8.097 130.953 122.820 0.059 0.000 2.288 381 A HA 0.594 nan 4.320 nan 0.000 0.320 381 A C -2.299 175.298 177.584 0.022 0.000 1.217 381 A CA -2.123 49.937 52.037 0.039 0.000 0.840 381 A CB 2.075 21.097 19.000 0.037 0.000 1.179 381 A HN 0.954 9.144 8.150 0.066 0.000 0.504 382 D N 3.964 124.372 120.400 0.014 0.000 2.313 382 D HA 0.606 nan 4.640 nan 0.000 0.247 382 D C -0.496 175.809 176.300 0.009 0.000 1.094 382 D CA -0.462 53.539 54.000 0.000 0.000 0.925 382 D CB 2.705 43.503 40.800 -0.004 0.000 1.188 382 D HN 0.154 8.535 8.370 0.019 0.000 0.430 383 T N -3.554 111.004 114.554 0.007 0.000 2.865 383 T HA 0.354 nan 4.350 nan 0.000 0.294 383 T C -2.055 172.672 174.700 0.046 0.000 1.119 383 T CA -2.149 59.967 62.100 0.028 0.000 1.007 383 T CB 3.897 72.784 68.868 0.032 0.000 1.225 383 T HN -0.353 7.883 8.240 -0.006 0.000 0.515 384 A N -0.375 122.488 122.820 0.071 0.000 2.363 384 A HA 0.306 nan 4.320 nan 0.000 0.270 384 A C -0.223 177.431 177.584 0.117 0.000 1.121 384 A CA -0.391 51.705 52.037 0.097 0.000 0.800 384 A CB 0.805 19.883 19.000 0.131 0.000 1.052 384 A HN 0.342 8.532 8.150 0.067 0.000 0.493 385 G N 1.183 110.059 108.800 0.125 0.000 3.678 385 G HA2 0.189 nan 3.960 nan 0.000 0.344 385 G HA3 0.189 nan 3.960 nan 0.000 0.344 385 G C -1.935 173.055 174.900 0.150 0.000 1.450 385 G CA -0.508 44.713 45.100 0.201 0.000 1.078 385 G HN 0.152 8.502 8.290 0.101 0.000 0.474 386 R N 3.409 123.970 120.500 0.101 0.000 2.352 386 R HA 0.315 nan 4.340 nan 0.000 0.304 386 R C 0.298 176.603 176.300 0.009 0.000 1.104 386 R CA -1.539 54.594 56.100 0.056 0.000 0.991 386 R CB 1.227 31.558 30.300 0.053 0.000 1.140 386 R HN 0.015 8.341 8.270 0.094 0.000 0.540 387 L N 4.568 125.781 121.223 -0.017 0.000 2.362 387 L HA -0.339 nan 4.340 nan 0.000 0.219 387 L C 1.206 178.048 176.870 -0.047 0.000 1.134 387 L CA 2.321 57.113 54.840 -0.080 0.000 0.807 387 L CB -0.242 41.770 42.059 -0.080 0.000 0.927 387 L HN 0.691 8.931 8.230 0.017 0.000 0.447 388 Q N -3.047 116.742 119.800 -0.018 0.000 2.308 388 Q HA -0.248 nan 4.340 nan 0.000 0.209 388 Q C 0.728 176.720 176.000 -0.014 0.000 0.985 388 Q CA 2.025 57.819 55.803 -0.015 0.000 0.881 388 Q CB -0.413 28.318 28.738 -0.012 0.000 0.917 388 Q HN 0.184 8.390 8.270 -0.007 0.059 0.443 389 N N -1.343 117.357 118.700 0.001 0.000 2.765 389 N HA 0.214 nan 4.740 nan 0.000 0.277 389 N C -0.763 174.760 175.510 0.022 0.000 1.750 389 N CA -0.829 52.235 53.050 0.023 0.000 0.827 389 N CB 0.618 39.142 38.487 0.061 0.000 1.200 389 N HN -0.688 7.649 8.380 0.004 0.046 0.494 390 K N 3.667 124.051 120.400 -0.028 0.000 2.005 390 K HA -0.538 nan 4.320 nan 0.000 0.229 390 K C 1.289 177.857 176.600 -0.053 0.000 1.050 390 K CA 4.308 60.555 56.287 -0.067 0.000 0.994 390 K CB -0.227 32.237 32.500 -0.060 0.000 0.736 390 K HN -0.266 7.967 8.250 -0.029 0.000 0.448 391 S N -2.023 113.667 115.700 -0.018 0.000 2.507 391 S HA -0.180 nan 4.470 nan 0.000 0.235 391 S C 2.131 176.752 174.600 0.034 0.000 0.988 391 S CA 2.496 60.693 58.200 -0.005 0.000 0.944 391 S CB -0.347 62.854 63.200 0.002 0.000 0.762 391 S HN 0.284 8.587 8.310 -0.012 0.000 0.526 392 H N 4.068 123.115 119.070 -0.039 0.000 2.372 392 H HA -0.097 nan 4.556 nan 0.000 0.301 392 H C 1.574 176.892 175.328 -0.017 0.000 1.065 392 H CA 2.999 59.033 56.048 -0.024 0.000 1.364 392 H CB 0.177 29.924 29.762 -0.025 0.000 1.406 392 H HN -0.377 7.816 8.280 0.120 0.159 0.521 393 L N 0.096 121.215 121.223 -0.173 0.000 2.017 393 L HA -0.363 nan 4.340 nan 0.000 0.208 393 L C 1.362 178.139 176.870 -0.156 0.000 1.073 393 L CA 3.593 58.307 54.840 -0.210 0.000 0.745 393 L CB -0.258 41.706 42.059 -0.158 0.000 0.894 393 L HN -0.121 8.089 8.230 -0.034 0.000 0.432 394 M N -1.384 118.148 119.600 -0.113 0.000 2.080 394 M HA -0.487 nan 4.480 nan 0.000 0.260 394 M C 1.845 178.110 176.300 -0.059 0.000 1.068 394 M CA 4.048 59.304 55.300 -0.073 0.000 1.109 394 M CB -0.256 32.309 32.600 -0.059 0.000 1.342 394 M HN -0.461 7.767 8.290 -0.104 0.000 0.405 395 E N -2.077 118.088 120.200 -0.059 0.000 2.150 395 E HA -0.301 nan 4.350 nan 0.000 0.193 395 E C 2.636 179.200 176.600 -0.060 0.000 0.985 395 E CA 2.693 59.072 56.400 -0.034 0.000 0.814 395 E CB -0.673 29.036 29.700 0.015 0.000 0.752 395 E HN -0.406 7.921 8.360 -0.056 0.000 0.466 396 E N 1.153 121.261 120.200 -0.153 0.000 2.028 396 E HA -0.195 nan 4.350 nan 0.000 0.191 396 E C 2.420 178.981 176.600 -0.066 0.000 0.988 396 E CA 2.447 58.753 56.400 -0.156 0.000 0.799 396 E CB -0.390 29.105 29.700 -0.342 0.000 0.755 396 E HN -0.031 7.982 8.360 -0.226 0.212 0.447 397 L N -1.521 119.670 121.223 -0.053 0.000 2.131 397 L HA -0.352 nan 4.340 nan 0.000 0.210 397 L C 1.994 178.862 176.870 -0.003 0.000 1.092 397 L CA 2.841 57.678 54.840 -0.005 0.000 0.759 397 L CB -0.358 41.717 42.059 0.027 0.000 0.903 397 L HN 0.253 8.433 8.230 -0.082 0.000 0.435 398 K N -0.782 119.611 120.400 -0.012 0.000 2.097 398 K HA -0.363 nan 4.320 nan 0.000 0.205 398 K C 1.986 178.585 176.600 -0.002 0.000 1.050 398 K CA 3.316 59.599 56.287 -0.006 0.000 0.938 398 K CB -0.411 32.084 32.500 -0.010 0.000 0.718 398 K HN -0.004 8.215 8.250 -0.025 0.016 0.442 399 K N -0.519 119.879 120.400 -0.003 0.000 2.057 399 K HA -0.233 nan 4.320 nan 0.000 0.206 399 K C 2.219 178.827 176.600 0.013 0.000 1.050 399 K CA 3.011 59.301 56.287 0.004 0.000 0.935 399 K CB -0.058 32.445 32.500 0.005 0.000 0.715 399 K HN -0.656 7.485 8.250 -0.011 0.101 0.439 400 I N -0.149 120.429 120.570 0.013 0.000 2.127 400 I HA -0.516 nan 4.170 nan 0.000 0.241 400 I C 1.889 178.020 176.117 0.024 0.000 1.075 400 I CA 4.231 65.546 61.300 0.025 0.000 1.334 400 I CB 0.043 38.055 38.000 0.021 0.000 1.040 400 I HN -0.261 7.884 8.210 0.005 0.068 0.405 401 V N -1.440 118.480 119.914 0.010 0.000 2.490 401 V HA -0.452 nan 4.120 nan 0.000 0.250 401 V C 2.015 178.108 176.094 -0.000 0.000 1.061 401 V CA 4.046 66.344 62.300 -0.002 0.000 1.064 401 V CB -1.174 30.644 31.823 -0.008 0.000 0.670 401 V HN 0.110 8.305 8.190 0.008 0.000 0.461 402 R N -0.511 119.995 120.500 0.009 0.000 2.062 402 R HA -0.191 nan 4.340 nan 0.000 0.226 402 R C 2.615 178.936 176.300 0.035 0.000 1.125 402 R CA 3.323 59.430 56.100 0.013 0.000 0.966 402 R CB 0.132 30.438 30.300 0.009 0.000 0.861 402 R HN -0.532 7.626 8.270 0.009 0.117 0.433 403 V N 0.641 120.586 119.914 0.052 0.000 2.568 403 V HA -0.392 nan 4.120 nan 0.000 0.253 403 V C 2.554 178.756 176.094 0.179 0.000 1.072 403 V CA 3.924 66.286 62.300 0.103 0.000 1.084 403 V CB -0.891 30.986 31.823 0.089 0.000 0.676 403 V HN 0.270 8.483 8.190 0.039 0.000 0.469 404 M N -1.617 118.043 119.600 0.101 0.000 2.159 404 M HA -0.384 nan 4.480 nan 0.000 0.263 404 M C 1.815 178.130 176.300 0.025 0.000 1.063 404 M CA 3.995 59.327 55.300 0.054 0.000 1.110 404 M CB -0.527 32.068 32.600 -0.008 0.000 1.374 404 M HN -0.403 7.905 8.290 0.066 0.022 0.411 405 K N -2.257 118.155 120.400 0.021 0.000 2.442 405 K HA -0.212 nan 4.320 nan 0.000 0.198 405 K C 1.105 177.725 176.600 0.033 0.000 1.044 405 K CA 1.779 58.068 56.287 0.004 0.000 0.948 405 K CB -1.093 31.407 32.500 -0.001 0.000 0.762 405 K HN -0.447 7.695 8.250 0.026 0.123 0.472 406 K N -2.667 117.790 120.400 0.095 0.000 2.288 406 K HA -0.165 nan 4.320 nan 0.000 0.201 406 K C 1.233 177.886 176.600 0.088 0.000 1.048 406 K CA 2.097 58.469 56.287 0.141 0.000 0.956 406 K CB 0.388 33.074 32.500 0.309 0.000 0.746 406 K HN -0.598 7.560 8.250 0.130 0.170 0.461 407 L N -3.904 117.322 121.223 0.005 0.000 2.672 407 L HA 0.108 nan 4.340 nan 0.000 0.236 407 L C -0.683 176.152 176.870 -0.059 0.000 1.092 407 L CA 0.244 55.034 54.840 -0.084 0.000 0.887 407 L CB 1.708 43.613 42.059 -0.257 0.000 1.168 407 L HN -0.475 7.624 8.230 0.011 0.138 0.502 408 D N -2.237 118.135 120.400 -0.047 0.000 2.688 408 D HA 0.064 nan 4.640 nan 0.000 0.210 408 D C 0.750 177.009 176.300 -0.068 0.000 1.333 408 D CA 0.004 53.977 54.000 -0.047 0.000 0.920 408 D CB 3.422 44.197 40.800 -0.041 0.000 1.554 408 D HN -0.775 7.483 8.370 -0.039 0.089 0.579 409 V N 0.374 120.255 119.914 -0.056 0.000 3.444 409 V HA -0.005 nan 4.120 nan 0.000 0.271 409 V C -0.239 175.785 176.094 -0.117 0.000 1.188 409 V CA 1.338 63.599 62.300 -0.066 0.000 1.168 409 V CB -0.939 30.860 31.823 -0.039 0.000 0.810 409 V HN 0.373 8.541 8.190 -0.037 0.000 0.500 410 E N -1.201 118.891 120.200 -0.179 0.000 2.431 410 E HA 0.044 nan 4.350 nan 0.000 0.200 410 E C -0.047 176.167 176.600 -0.644 0.000 0.995 410 E CA -0.144 56.060 56.400 -0.327 0.000 0.915 410 E CB 0.973 30.523 29.700 -0.251 0.000 0.930 410 E HN 0.018 8.524 8.360 -0.145 -0.233 0.496 411 A N 1.894 124.390 122.820 -0.540 0.000 2.388 411 A HA 0.224 nan 4.320 nan 0.000 0.257 411 A C -2.354 175.067 177.584 -0.273 0.000 1.095 411 A CA -2.380 49.358 52.037 -0.499 0.000 0.791 411 A CB -0.235 18.630 19.000 -0.225 0.000 1.029 411 A HN -0.638 7.315 8.150 -0.327 0.000 0.489 412 P HA 0.114 nan 4.420 nan 0.000 0.284 412 P C -1.170 175.905 177.300 -0.374 0.000 1.253 412 P CA -0.389 62.566 63.100 -0.242 0.000 0.800 412 P CB 1.111 32.749 31.700 -0.104 0.000 0.961 413 H N 0.105 118.921 119.070 -0.423 0.000 2.502 413 H HA 0.047 nan 4.556 nan 0.000 0.283 413 H C 0.761 175.868 175.328 -0.369 0.000 1.015 413 H CA 2.295 57.975 56.048 -0.614 0.000 1.298 413 H CB 0.814 29.656 29.762 -1.533 0.000 1.411 413 H HN 0.138 8.252 8.280 -0.276 0.000 0.556 414 E N -2.273 117.864 120.200 -0.106 0.000 2.304 414 E HA 0.379 nan 4.350 nan 0.000 0.277 414 E C -2.686 173.946 176.600 0.053 0.000 0.898 414 E CA -0.617 55.833 56.400 0.083 0.000 0.764 414 E CB 3.801 33.687 29.700 0.311 0.000 1.216 414 E HN -0.549 7.697 8.360 -0.137 0.033 0.419 415 V N 5.686 125.625 119.914 0.042 0.000 2.284 415 V HA 0.517 nan 4.120 nan 0.000 0.274 415 V C -1.498 174.605 176.094 0.015 0.000 1.023 415 V CA -1.073 61.239 62.300 0.020 0.000 0.808 415 V CB 0.664 32.495 31.823 0.012 0.000 1.035 415 V HN 1.076 9.294 8.190 0.048 0.000 0.445 416 M N 9.084 128.692 119.600 0.013 0.000 2.157 416 M HA 0.615 nan 4.480 nan 0.000 0.354 416 M C -2.381 173.862 176.300 -0.095 0.000 1.170 416 M CA -1.162 54.135 55.300 -0.006 0.000 1.060 416 M CB 2.717 35.346 32.600 0.048 0.000 1.615 416 M HN 0.603 8.906 8.290 0.021 0.000 0.460 417 L N 7.987 129.128 121.223 -0.137 0.000 2.289 417 L HA 0.697 nan 4.340 nan 0.000 0.285 417 L C -2.318 174.433 176.870 -0.198 0.000 1.049 417 L CA -1.094 53.594 54.840 -0.253 0.000 0.804 417 L CB 2.744 44.638 42.059 -0.275 0.000 1.195 417 L HN 0.543 8.713 8.230 -0.099 0.000 0.428 418 T N 8.928 123.345 114.554 -0.228 0.000 2.779 418 T HA 0.752 nan 4.350 nan 0.000 0.280 418 T C -1.388 173.214 174.700 -0.163 0.000 0.987 418 T CA 0.158 62.161 62.100 -0.162 0.000 0.966 418 T CB 0.165 68.947 68.868 -0.144 0.000 0.933 418 T HN -0.173 7.883 8.240 -0.308 0.000 0.442 419 I N -0.597 119.901 120.570 -0.120 0.000 2.865 419 I HA 0.572 nan 4.170 nan 0.000 0.302 419 I C -2.447 173.631 176.117 -0.064 0.000 1.140 419 I CA -2.322 58.925 61.300 -0.088 0.000 1.021 419 I CB 3.504 41.457 38.000 -0.078 0.000 1.233 419 I HN 0.724 8.868 8.210 -0.111 0.000 0.427 420 D N 2.621 122.996 120.400 -0.041 0.000 2.313 420 D HA 0.174 nan 4.640 nan 0.000 0.239 420 D C 0.457 176.747 176.300 -0.017 0.000 1.142 420 D CA -0.519 53.464 54.000 -0.029 0.000 0.847 420 D CB 1.569 42.357 40.800 -0.020 0.000 1.082 420 D HN 0.358 8.709 8.370 -0.032 0.000 0.480 421 A N 7.276 130.084 122.820 -0.019 0.000 1.972 421 A HA -0.255 nan 4.320 nan 0.000 0.219 421 A C 1.887 179.477 177.584 0.009 0.000 1.169 421 A CA 3.026 55.058 52.037 -0.007 0.000 0.635 421 A CB -0.116 18.879 19.000 -0.008 0.000 0.810 421 A HN 0.551 8.685 8.150 -0.027 0.000 0.446 422 S N -4.809 110.895 115.700 0.006 0.000 2.507 422 S HA -0.260 nan 4.470 nan 0.000 0.235 422 S C 1.102 175.710 174.600 0.013 0.000 0.988 422 S CA 1.988 60.195 58.200 0.011 0.000 0.944 422 S CB 0.155 63.358 63.200 0.006 0.000 0.762 422 S HN -0.264 8.261 8.310 -0.000 -0.215 0.526 423 T N -4.078 110.485 114.554 0.014 0.000 3.188 423 T HA 0.397 nan 4.350 nan 0.000 0.250 423 T C 1.324 176.040 174.700 0.028 0.000 1.077 423 T CA -0.930 61.181 62.100 0.019 0.000 0.967 423 T CB 0.214 69.093 68.868 0.018 0.000 1.006 423 T HN -0.599 7.478 8.240 0.010 0.168 0.552 424 G N 2.735 111.553 108.800 0.031 0.000 2.702 424 G HA2 -0.601 nan 3.960 nan 0.000 0.342 424 G HA3 -0.601 nan 3.960 nan 0.000 0.342 424 G C 0.369 175.299 174.900 0.051 0.000 1.258 424 G CA 2.175 47.300 45.100 0.041 0.000 0.990 424 G HN -0.255 7.966 8.290 0.026 0.084 0.548 425 Q N 3.945 123.777 119.800 0.053 0.000 2.308 425 Q HA -0.373 nan 4.340 nan 0.000 0.209 425 Q C 2.468 178.508 176.000 0.066 0.000 0.985 425 Q CA 3.182 59.023 55.803 0.062 0.000 0.881 425 Q CB -0.360 28.410 28.738 0.053 0.000 0.917 425 Q HN 0.440 8.738 8.270 0.047 0.000 0.443 426 N N -0.038 118.694 118.700 0.053 0.000 2.120 426 N HA -0.299 nan 4.740 nan 0.000 0.188 426 N C 1.695 177.241 175.510 0.061 0.000 1.024 426 N CA 3.239 56.320 53.050 0.052 0.000 0.852 426 N CB -0.305 38.205 38.487 0.039 0.000 1.003 426 N HN 0.174 8.543 8.380 0.045 0.039 0.424 427 A N 0.038 122.890 122.820 0.054 0.000 1.933 427 A HA -0.188 nan 4.320 nan 0.000 0.218 427 A C 2.391 180.023 177.584 0.079 0.000 1.175 427 A CA 3.042 55.108 52.037 0.047 0.000 0.628 427 A CB -0.624 18.393 19.000 0.028 0.000 0.814 427 A HN -0.142 7.937 8.150 0.048 0.100 0.444 428 V N -1.394 118.595 119.914 0.126 0.000 2.323 428 V HA -0.403 nan 4.120 nan 0.000 0.244 428 V C 2.095 178.332 176.094 0.239 0.000 1.041 428 V CA 4.092 66.533 62.300 0.235 0.000 1.025 428 V CB -1.174 30.777 31.823 0.214 0.000 0.656 428 V HN -0.539 7.598 8.190 0.105 0.116 0.451 429 S N 0.262 116.055 115.700 0.155 0.000 2.368 429 S HA -0.467 nan 4.470 nan 0.000 0.225 429 S C 2.159 176.818 174.600 0.099 0.000 1.030 429 S CA 4.268 62.545 58.200 0.128 0.000 0.999 429 S CB -0.633 62.617 63.200 0.084 0.000 0.844 429 S HN 0.073 8.458 8.310 0.125 0.000 0.459 430 Q N 2.121 121.980 119.800 0.099 0.000 2.096 430 Q HA -0.343 nan 4.340 nan 0.000 0.204 430 Q C 2.310 178.414 176.000 0.173 0.000 0.982 430 Q CA 3.020 58.916 55.803 0.155 0.000 0.850 430 Q CB -0.320 28.522 28.738 0.174 0.000 0.901 430 Q HN -0.100 8.228 8.270 0.095 0.000 0.422 431 A N -0.505 122.308 122.820 -0.013 0.000 1.877 431 A HA -0.313 nan 4.320 nan 0.000 0.216 431 A C 1.713 179.036 177.584 -0.435 0.000 1.186 431 A CA 3.091 54.934 52.037 -0.324 0.000 0.620 431 A CB -0.823 17.774 19.000 -0.671 0.000 0.822 431 A HN -0.292 7.793 8.150 0.009 0.071 0.443 432 K N -0.813 119.456 120.400 -0.219 0.000 2.032 432 K HA -0.312 nan 4.320 nan 0.000 0.209 432 K C 2.285 178.922 176.600 0.062 0.000 1.048 432 K CA 3.107 59.453 56.287 0.098 0.000 0.927 432 K CB -0.001 32.694 32.500 0.326 0.000 0.712 432 K HN -0.455 7.705 8.250 -0.034 0.070 0.441 433 L N -1.353 119.873 121.223 0.006 0.000 1.989 433 L HA -0.364 nan 4.340 nan 0.000 0.211 433 L C 2.523 179.293 176.870 -0.168 0.000 1.071 433 L CA 3.542 58.315 54.840 -0.111 0.000 0.749 433 L CB -0.397 41.536 42.059 -0.210 0.000 0.890 433 L HN 0.007 8.252 8.230 0.024 0.000 0.431 434 F N -3.591 116.329 119.950 -0.050 0.000 2.325 434 F HA -0.314 nan 4.527 nan 0.000 0.299 434 F C 2.328 178.127 175.800 -0.001 0.000 1.090 434 F CA 4.076 62.050 58.000 -0.043 0.000 1.392 434 F CB -0.554 38.402 39.000 -0.073 0.000 1.053 434 F HN -0.018 8.373 8.300 0.151 0.000 0.521 435 H N 0.087 119.160 119.070 0.005 0.000 2.423 435 H HA -0.211 nan 4.556 nan 0.000 0.297 435 H C 1.597 176.930 175.328 0.009 0.000 1.075 435 H CA 3.024 59.055 56.048 -0.029 0.000 1.342 435 H CB -0.044 29.660 29.762 -0.097 0.000 1.395 435 H HN 0.010 8.252 8.280 0.145 0.125 0.530 436 E N -2.489 117.702 120.200 -0.014 0.000 2.400 436 E HA -0.010 nan 4.350 nan 0.000 0.195 436 E C -0.079 176.487 176.600 -0.057 0.000 1.012 436 E CA 1.032 57.377 56.400 -0.091 0.000 0.875 436 E CB 0.524 30.181 29.700 -0.073 0.000 0.859 436 E HN -0.497 7.761 8.360 0.030 0.121 0.498 437 A N -0.781 122.019 122.820 -0.033 0.000 1.887 437 A HA 0.036 nan 4.320 nan 0.000 0.212 437 A C -0.430 177.162 177.584 0.014 0.000 1.198 437 A CA 1.639 53.655 52.037 -0.034 0.000 0.628 437 A CB 1.161 20.110 19.000 -0.086 0.000 0.847 437 A HN -0.323 7.654 8.150 -0.010 0.166 0.449 438 V N -7.381 112.573 119.914 0.068 0.000 3.158 438 V HA 0.482 nan 4.120 nan 0.000 0.311 438 V C -0.829 175.317 176.094 0.087 0.000 1.181 438 V CA -3.072 59.270 62.300 0.071 0.000 1.054 438 V CB 2.801 34.679 31.823 0.092 0.000 1.085 438 V HN -0.050 8.202 8.190 0.104 0.000 0.446 439 G N -0.239 108.600 108.800 0.065 0.000 2.915 439 G HA2 0.294 nan 3.960 nan 0.000 0.298 439 G HA3 0.294 nan 3.960 nan 0.000 0.298 439 G C -0.649 174.294 174.900 0.071 0.000 0.837 439 G CA -0.440 44.705 45.100 0.075 0.000 1.752 439 G HN 0.223 8.539 8.290 0.044 0.000 0.526 440 L N 1.804 123.083 121.223 0.094 0.000 2.455 440 L HA -0.099 nan 4.340 nan 0.000 0.272 440 L C 0.930 177.815 176.870 0.025 0.000 1.174 440 L CA 0.999 55.860 54.840 0.036 0.000 0.869 440 L CB 0.082 42.133 42.059 -0.012 0.000 1.130 440 L HN -0.527 7.798 8.230 0.157 0.000 0.474 441 T N -0.395 114.172 114.554 0.021 0.000 2.985 441 T HA 0.292 nan 4.350 nan 0.000 0.254 441 T C 0.361 175.080 174.700 0.032 0.000 1.021 441 T CA -0.706 61.415 62.100 0.035 0.000 0.957 441 T CB 0.928 69.828 68.868 0.053 0.000 1.047 441 T HN 0.447 8.699 8.240 0.020 0.000 0.511 442 G N 1.318 110.128 108.800 0.016 0.000 2.703 442 G HA2 0.494 nan 3.960 nan 0.000 0.294 442 G HA3 0.494 nan 3.960 nan 0.000 0.294 442 G C -3.443 171.443 174.900 -0.025 0.000 1.451 442 G CA 0.455 45.562 45.100 0.012 0.000 0.869 442 G HN -0.730 7.563 8.290 0.005 0.000 0.516 443 I N -0.128 120.412 120.570 -0.050 0.000 2.689 443 I HA 0.717 nan 4.170 nan 0.000 0.299 443 I C -1.741 174.336 176.117 -0.066 0.000 1.059 443 I CA -1.907 59.340 61.300 -0.087 0.000 1.055 443 I CB 4.583 42.502 38.000 -0.136 0.000 1.243 443 I HN 0.746 8.927 8.210 -0.049 0.000 0.425 444 T N 7.462 121.981 114.554 -0.060 0.000 2.809 444 T HA 0.571 nan 4.350 nan 0.000 0.284 444 T C -1.813 172.837 174.700 -0.082 0.000 0.992 444 T CA -0.513 61.573 62.100 -0.023 0.000 0.957 444 T CB 1.191 70.072 68.868 0.022 0.000 0.942 444 T HN 0.861 9.050 8.240 -0.086 0.000 0.439 445 L N 8.144 129.302 121.223 -0.109 0.000 2.262 445 L HA 0.734 nan 4.340 nan 0.000 0.288 445 L C -0.725 176.103 176.870 -0.069 0.000 1.035 445 L CA -1.293 53.477 54.840 -0.117 0.000 0.820 445 L CB 0.462 42.408 42.059 -0.190 0.000 1.204 445 L HN 0.441 8.600 8.230 -0.119 0.000 0.424 446 T N 1.677 116.197 114.554 -0.056 0.000 2.923 446 T HA 0.384 nan 4.350 nan 0.000 0.281 446 T C -0.239 174.446 174.700 -0.025 0.000 0.995 446 T CA -2.312 59.765 62.100 -0.039 0.000 0.985 446 T CB 2.071 70.909 68.868 -0.051 0.000 1.114 446 T HN 0.612 8.815 8.240 -0.063 0.000 0.548 447 K N -1.486 118.904 120.400 -0.015 0.000 3.077 447 K HA -0.434 nan 4.320 nan 0.000 0.264 447 K C 0.246 176.852 176.600 0.010 0.000 1.008 447 K CA 0.882 57.166 56.287 -0.005 0.000 0.740 447 K CB -2.810 29.683 32.500 -0.010 0.000 1.273 447 K HN 0.575 8.814 8.250 -0.019 0.000 0.477 448 L N -3.471 117.767 121.223 0.025 0.000 2.240 448 L HA -0.112 nan 4.340 nan 0.000 0.211 448 L C -0.187 176.714 176.870 0.052 0.000 1.106 448 L CA 2.047 56.919 54.840 0.053 0.000 0.793 448 L CB 0.647 42.763 42.059 0.096 0.000 0.927 448 L HN 0.045 8.289 8.230 0.024 0.000 0.446 449 D N -2.852 117.571 120.400 0.038 0.000 2.304 449 D HA -0.090 nan 4.640 nan 0.000 0.250 449 D C 0.878 177.187 176.300 0.015 0.000 1.107 449 D CA 0.279 54.294 54.000 0.026 0.000 0.885 449 D CB 0.053 40.866 40.800 0.021 0.000 1.192 449 D HN -0.763 7.604 8.370 0.034 0.024 0.436 450 G N 0.589 109.395 108.800 0.009 0.000 2.132 450 G HA2 -0.428 nan 3.960 nan 0.000 0.234 450 G HA3 -0.428 nan 3.960 nan 0.000 0.234 450 G C -1.603 173.301 174.900 0.006 0.000 0.989 450 G CA 0.166 45.269 45.100 0.005 0.000 0.676 450 G HN 0.629 8.924 8.290 0.008 0.000 0.522 451 T N -1.310 113.250 114.554 0.011 0.000 2.952 451 T HA 0.283 nan 4.350 nan 0.000 0.305 451 T C -2.008 172.700 174.700 0.013 0.000 1.064 451 T CA -0.913 61.194 62.100 0.013 0.000 1.008 451 T CB 1.592 70.471 68.868 0.018 0.000 1.078 451 T HN -0.793 7.456 8.240 0.015 0.000 0.459 452 A N 4.452 127.276 122.820 0.007 0.000 2.251 452 A HA 0.214 nan 4.320 nan 0.000 0.209 452 A C 0.542 178.136 177.584 0.016 0.000 1.187 452 A CA 0.762 52.799 52.037 0.001 0.000 0.823 452 A CB -0.143 18.851 19.000 -0.010 0.000 0.846 452 A HN 0.482 8.636 8.150 0.006 0.000 0.486 453 K N -1.054 119.364 120.400 0.030 0.000 2.500 453 K HA 0.143 nan 4.320 nan 0.000 0.206 453 K C 1.239 177.883 176.600 0.073 0.000 1.034 453 K CA -0.863 55.452 56.287 0.047 0.000 1.179 453 K CB -0.500 32.024 32.500 0.040 0.000 0.884 453 K HN -0.678 7.496 8.250 0.027 0.092 0.493 454 G N 0.048 108.898 108.800 0.083 0.000 2.501 454 G HA2 -0.252 nan 3.960 nan 0.000 0.220 454 G HA3 -0.252 nan 3.960 nan 0.000 0.220 454 G C 0.822 175.844 174.900 0.203 0.000 1.114 454 G CA 1.749 46.927 45.100 0.130 0.000 0.757 454 G HN -0.127 8.099 8.290 0.061 0.101 0.559 455 G N 0.328 109.267 108.800 0.231 0.000 2.625 455 G HA2 -0.190 nan 3.960 nan 0.000 0.214 455 G HA3 -0.190 nan 3.960 nan 0.000 0.214 455 G C 0.511 175.613 174.900 0.336 0.000 1.132 455 G CA 0.792 46.130 45.100 0.397 0.000 0.782 455 G HN -0.447 7.887 8.290 0.161 0.053 0.538 456 V N 2.814 122.829 119.914 0.169 0.000 2.759 456 V HA -0.293 nan 4.120 nan 0.000 0.256 456 V C 0.774 176.892 176.094 0.041 0.000 1.080 456 V CA 2.366 64.729 62.300 0.105 0.000 1.101 456 V CB -0.417 31.445 31.823 0.065 0.000 0.698 456 V HN -0.396 7.800 8.190 0.139 0.077 0.477 457 I N 0.627 121.158 120.570 -0.065 0.000 2.264 457 I HA -0.408 nan 4.170 nan 0.000 0.248 457 I C 0.958 176.893 176.117 -0.303 0.000 1.111 457 I CA 2.497 63.609 61.300 -0.313 0.000 1.382 457 I CB -0.060 37.580 38.000 -0.599 0.000 1.060 457 I HN -0.501 7.669 8.210 -0.007 0.036 0.418 458 F N -2.485 117.475 119.950 0.017 0.000 2.259 458 F HA -0.297 nan 4.527 nan 0.000 0.298 458 F C 2.078 177.884 175.800 0.010 0.000 1.088 458 F CA 3.758 61.782 58.000 0.040 0.000 1.358 458 F CB -0.622 38.436 39.000 0.096 0.000 1.040 458 F HN -0.700 7.546 8.300 0.100 0.114 0.505 459 S N 0.602 116.413 115.700 0.185 0.000 2.345 459 S HA -0.299 nan 4.470 nan 0.000 0.220 459 S C 2.043 176.650 174.600 0.011 0.000 1.031 459 S CA 3.828 62.075 58.200 0.078 0.000 0.996 459 S CB 0.080 63.331 63.200 0.085 0.000 0.882 459 S HN -0.579 7.766 8.310 0.215 0.094 0.445 460 V N -3.422 116.540 119.914 0.080 0.000 2.626 460 V HA -0.180 nan 4.120 nan 0.000 0.252 460 V C 1.364 177.549 176.094 0.151 0.000 1.067 460 V CA 2.562 64.991 62.300 0.216 0.000 1.081 460 V CB -1.092 30.822 31.823 0.152 0.000 0.686 460 V HN 0.099 8.329 8.190 0.068 0.000 0.468 461 A N 0.465 123.293 122.820 0.013 0.000 1.861 461 A HA -0.211 nan 4.320 nan 0.000 0.212 461 A C 1.567 179.156 177.584 0.009 0.000 1.199 461 A CA 2.957 54.992 52.037 -0.004 0.000 0.613 461 A CB -0.271 18.703 19.000 -0.043 0.000 0.846 461 A HN -0.318 7.704 8.150 -0.009 0.122 0.446 462 D N -1.250 119.153 120.400 0.006 0.000 2.117 462 D HA -0.250 nan 4.640 nan 0.000 0.198 462 D C 2.215 178.445 176.300 -0.117 0.000 0.982 462 D CA 2.531 56.521 54.000 -0.017 0.000 0.828 462 D CB 0.225 41.037 40.800 0.020 0.000 0.967 462 D HN -0.394 7.998 8.370 0.037 0.000 0.464 463 Q N -2.873 116.755 119.800 -0.286 0.000 2.172 463 Q HA -0.184 nan 4.340 nan 0.000 0.200 463 Q C 1.170 176.805 176.000 -0.608 0.000 0.964 463 Q CA 2.531 58.006 55.803 -0.546 0.000 0.855 463 Q CB 0.751 28.951 28.738 -0.895 0.000 0.918 463 Q HN -0.306 7.803 8.270 -0.267 0.000 0.444 464 F N -5.918 114.021 119.950 -0.018 0.000 2.637 464 F HA 0.096 nan 4.527 nan 0.000 0.284 464 F C 0.621 176.367 175.800 -0.090 0.000 1.105 464 F CA -0.236 57.708 58.000 -0.093 0.000 1.356 464 F CB 1.746 40.604 39.000 -0.236 0.000 1.096 464 F HN -0.870 7.261 8.300 -0.281 0.000 0.616 465 G N -0.375 108.479 108.800 0.091 0.000 2.184 465 G HA2 -0.419 nan 3.960 nan 0.000 0.264 465 G HA3 -0.419 nan 3.960 nan 0.000 0.264 465 G C -0.167 174.754 174.900 0.036 0.000 0.975 465 G CA 0.713 45.846 45.100 0.054 0.000 0.642 465 G HN -0.437 7.902 8.290 0.081 0.000 0.536 466 I N 1.840 122.417 120.570 0.013 0.000 2.496 466 I HA -0.027 nan 4.170 nan 0.000 0.285 466 I C -1.838 174.268 176.117 -0.020 0.000 1.080 466 I CA -2.415 58.870 61.300 -0.025 0.000 1.404 466 I CB 0.559 38.499 38.000 -0.101 0.000 1.403 466 I HN -0.341 7.823 8.210 0.040 0.069 0.539 467 P HA -0.102 nan 4.420 nan 0.000 0.261 467 P C -1.314 175.963 177.300 -0.038 0.000 1.173 467 P CA 0.309 63.412 63.100 0.004 0.000 0.760 467 P CB 0.143 31.856 31.700 0.022 0.000 0.783 468 I N 3.563 124.091 120.570 -0.070 0.000 2.308 468 I HA -0.050 nan 4.170 nan 0.000 0.293 468 I C -0.068 175.997 176.117 -0.087 0.000 1.078 468 I CA -1.209 59.961 61.300 -0.216 0.000 1.292 468 I CB -1.704 35.882 38.000 -0.691 0.000 1.423 468 I HN 0.122 8.329 8.210 -0.005 0.000 0.493 469 R N 4.706 125.152 120.500 -0.091 0.000 2.055 469 R HA 0.025 nan 4.340 nan 0.000 0.226 469 R C -0.056 175.976 176.300 -0.446 0.000 1.135 469 R CA 1.248 57.226 56.100 -0.204 0.000 0.959 469 R CB 1.013 31.265 30.300 -0.080 0.000 0.854 469 R HN 0.606 8.735 8.270 -0.069 0.100 0.431 470 Y N -4.807 115.494 120.300 0.002 0.000 2.536 470 Y HA 0.579 nan 4.550 nan 0.000 0.347 470 Y C -1.870 173.999 175.900 -0.052 0.000 1.000 470 Y CA -0.934 57.170 58.100 0.005 0.000 1.051 470 Y CB 3.737 42.185 38.460 -0.021 0.000 1.259 470 Y HN -0.825 7.509 8.280 0.091 0.000 0.468 471 I N 1.320 121.978 120.570 0.147 0.000 2.466 471 I HA 0.428 nan 4.170 nan 0.000 0.289 471 I C -1.933 174.236 176.117 0.087 0.000 1.026 471 I CA -2.102 59.228 61.300 0.050 0.000 1.078 471 I CB 4.255 42.304 38.000 0.082 0.000 1.249 471 I HN 0.784 9.019 8.210 0.219 0.107 0.429 472 G N 6.497 115.321 108.800 0.040 0.000 2.356 472 G HA2 0.372 nan 3.960 nan 0.000 0.312 472 G HA3 0.372 nan 3.960 nan 0.000 0.312 472 G C -1.405 173.523 174.900 0.046 0.000 1.096 472 G CA -0.960 44.159 45.100 0.032 0.000 0.950 472 G HN 0.962 9.157 8.290 0.008 0.099 0.428 473 V N -1.561 118.389 119.914 0.059 0.000 3.176 473 V HA 0.596 nan 4.120 nan 0.000 0.332 473 V C -0.934 175.183 176.094 0.038 0.000 1.414 473 V CA -2.319 60.020 62.300 0.066 0.000 1.133 473 V CB -0.798 31.082 31.823 0.096 0.000 1.088 473 V HN 0.537 8.762 8.190 0.057 0.000 0.473 474 G N 0.373 109.186 108.800 0.022 0.000 2.320 474 G HA2 0.074 nan 3.960 nan 0.000 0.296 474 G HA3 0.074 nan 3.960 nan 0.000 0.296 474 G C -1.072 173.826 174.900 -0.003 0.000 1.306 474 G CA 0.339 45.446 45.100 0.010 0.000 0.836 474 G HN -0.898 7.344 8.290 0.017 0.059 0.517 475 E N -1.822 118.374 120.200 -0.007 0.000 2.472 475 E HA 0.120 nan 4.350 nan 0.000 0.196 475 E C 0.293 176.882 176.600 -0.018 0.000 1.033 475 E CA -0.766 55.624 56.400 -0.017 0.000 0.886 475 E CB 0.466 30.157 29.700 -0.015 0.000 0.944 475 E HN 0.201 8.559 8.360 -0.002 0.000 0.492 476 R N 0.141 120.635 120.500 -0.010 0.000 2.637 476 R HA 0.071 nan 4.340 nan 0.000 0.269 476 R C 1.994 178.283 176.300 -0.019 0.000 1.089 476 R CA -1.214 54.882 56.100 -0.007 0.000 1.177 476 R CB 0.327 30.628 30.300 0.001 0.000 1.091 476 R HN -0.392 8.157 8.270 -0.004 -0.282 0.540 477 I N 3.183 123.743 120.570 -0.017 0.000 2.286 477 I HA -0.431 nan 4.170 nan 0.000 0.248 477 I C 1.637 177.733 176.117 -0.036 0.000 1.115 477 I CA 3.646 64.924 61.300 -0.037 0.000 1.392 477 I CB -0.349 37.638 38.000 -0.021 0.000 1.065 477 I HN 0.324 8.531 8.210 -0.005 0.000 0.418 478 E N -1.102 119.091 120.200 -0.011 0.000 2.418 478 E HA -0.193 nan 4.350 nan 0.000 0.197 478 E C 0.119 176.730 176.600 0.018 0.000 1.026 478 E CA 2.120 58.523 56.400 0.005 0.000 0.862 478 E CB -1.129 28.578 29.700 0.012 0.000 0.799 478 E HN 0.463 8.805 8.360 -0.006 0.015 0.518 479 D N -1.769 118.637 120.400 0.010 0.000 2.347 479 D HA -0.059 nan 4.640 nan 0.000 0.215 479 D C -1.110 175.209 176.300 0.031 0.000 0.976 479 D CA 1.429 55.442 54.000 0.022 0.000 0.884 479 D CB 0.534 41.341 40.800 0.011 0.000 0.915 479 D HN -0.419 7.752 8.370 -0.003 0.198 0.526 480 L N 0.140 121.369 121.223 0.011 0.000 2.389 480 L HA 0.177 nan 4.340 nan 0.000 0.265 480 L C -0.794 176.151 176.870 0.124 0.000 1.167 480 L CA -0.859 53.994 54.840 0.022 0.000 1.045 480 L CB 0.140 42.140 42.059 -0.099 0.000 1.351 480 L HN -0.864 7.205 8.230 -0.012 0.154 0.419 481 R N 6.849 127.441 120.500 0.153 0.000 2.347 481 R HA 0.317 nan 4.340 nan 0.000 0.304 481 R C -2.134 174.290 176.300 0.207 0.000 1.072 481 R CA -2.637 53.563 56.100 0.167 0.000 0.980 481 R CB 0.804 31.185 30.300 0.136 0.000 0.986 481 R HN 0.272 8.591 8.270 0.125 0.026 0.448 482 P HA -0.050 nan 4.420 nan 0.000 0.268 482 P C -1.357 175.941 177.300 -0.003 0.000 1.204 482 P CA 0.137 63.191 63.100 -0.077 0.000 0.768 482 P CB 0.265 31.922 31.700 -0.072 0.000 0.842 483 F N 5.901 125.729 119.950 -0.204 0.000 2.506 483 F HA -0.082 nan 4.527 nan 0.000 0.371 483 F C -1.139 174.602 175.800 -0.098 0.000 1.078 483 F CA 0.313 58.231 58.000 -0.137 0.000 1.195 483 F CB 1.002 39.892 39.000 -0.184 0.000 1.099 483 F HN 0.363 8.511 8.300 -0.071 0.110 0.548 484 K N 7.905 127.882 120.400 -0.705 0.000 2.535 484 K HA 0.267 nan 4.320 nan 0.000 0.253 484 K C -0.796 175.296 176.600 -0.847 0.000 0.953 484 K CA -1.549 54.368 56.287 -0.616 0.000 0.863 484 K CB 1.293 33.640 32.500 -0.255 0.000 1.111 484 K HN 0.106 8.056 8.250 -0.500 0.000 0.431 485 A N 6.533 128.797 122.820 -0.927 0.000 1.873 485 A HA -0.427 nan 4.320 nan 0.000 0.218 485 A C 1.049 178.559 177.584 -0.123 0.000 1.193 485 A CA 3.352 55.075 52.037 -0.523 0.000 0.629 485 A CB -0.213 18.658 19.000 -0.215 0.000 0.826 485 A HN 0.839 8.881 8.150 -0.809 -0.377 0.447 486 D N -3.363 116.974 120.400 -0.105 0.000 2.149 486 D HA -0.381 nan 4.640 nan 0.000 0.198 486 D C 1.787 178.092 176.300 0.008 0.000 0.990 486 D CA 3.385 57.370 54.000 -0.025 0.000 0.839 486 D CB -0.836 39.940 40.800 -0.039 0.000 0.948 486 D HN 0.304 8.576 8.370 -0.163 0.000 0.460 487 D N 0.085 120.474 120.400 -0.018 0.000 2.183 487 D HA -0.210 nan 4.640 nan 0.000 0.203 487 D C 1.798 178.149 176.300 0.086 0.000 0.969 487 D CA 3.241 57.254 54.000 0.021 0.000 0.842 487 D CB -0.273 40.526 40.800 -0.002 0.000 0.957 487 D HN -0.656 7.666 8.370 -0.081 0.000 0.484 488 F N 1.490 121.422 119.950 -0.030 0.000 2.084 488 F HA -0.277 nan 4.527 nan 0.000 0.296 488 F C 1.238 177.123 175.800 0.142 0.000 1.111 488 F CA 3.449 61.492 58.000 0.072 0.000 1.224 488 F CB 0.605 39.694 39.000 0.148 0.000 0.991 488 F HN -0.498 7.781 8.300 0.137 0.103 0.471 489 I N -1.680 119.060 120.570 0.284 0.000 2.208 489 I HA -0.559 nan 4.170 nan 0.000 0.245 489 I C 2.025 178.261 176.117 0.199 0.000 1.097 489 I CA 3.203 64.671 61.300 0.281 0.000 1.363 489 I CB -1.358 36.770 38.000 0.213 0.000 1.051 489 I HN 0.432 8.836 8.210 0.324 0.000 0.413 490 E N 0.177 120.441 120.200 0.106 0.000 2.085 490 E HA -0.355 nan 4.350 nan 0.000 0.194 490 E C 2.154 178.808 176.600 0.090 0.000 0.994 490 E CA 3.113 59.570 56.400 0.094 0.000 0.801 490 E CB -0.554 29.179 29.700 0.055 0.000 0.743 490 E HN -0.110 8.304 8.360 0.090 0.000 0.453 491 A N -1.418 121.408 122.820 0.011 0.000 2.072 491 A HA -0.064 nan 4.320 nan 0.000 0.216 491 A C 1.781 179.304 177.584 -0.100 0.000 1.156 491 A CA 2.338 54.348 52.037 -0.045 0.000 0.701 491 A CB -0.421 18.526 19.000 -0.089 0.000 0.816 491 A HN -0.485 7.567 8.150 -0.009 0.092 0.458 492 L N -1.644 119.499 121.223 -0.133 0.000 2.072 492 L HA -0.322 nan 4.340 nan 0.000 0.205 492 L C 1.674 178.455 176.870 -0.148 0.000 1.079 492 L CA 3.370 58.093 54.840 -0.196 0.000 0.752 492 L CB 0.197 42.183 42.059 -0.122 0.000 0.906 492 L HN -0.082 7.955 8.230 -0.101 0.132 0.436 493 F N -3.686 116.235 119.950 -0.047 0.000 2.664 493 F HA -0.081 nan 4.527 nan 0.000 0.296 493 F C 0.532 176.433 175.800 0.169 0.000 1.125 493 F CA 0.946 58.968 58.000 0.036 0.000 1.444 493 F CB -0.219 38.755 39.000 -0.044 0.000 1.114 493 F HN -0.076 8.471 8.300 0.413 0.000 0.576 494 A N -0.282 122.676 122.820 0.230 0.000 2.548 494 A HA -0.113 nan 4.320 nan 0.000 0.247 494 A C -0.690 176.961 177.584 0.112 0.000 1.067 494 A CA 0.204 52.339 52.037 0.164 0.000 0.757 494 A CB 0.268 19.320 19.000 0.088 0.000 0.996 494 A HN -0.469 7.787 8.150 0.176 0.000 0.504 495 R N 0.000 120.566 120.500 0.109 0.000 2.786 495 R HA 0.000 nan 4.340 nan 0.000 0.208 495 R CA 0.000 56.133 56.100 0.054 0.000 0.921 495 R CB 0.000 30.315 30.300 0.025 0.000 0.687 495 R HN 0.000 8.346 8.270 0.127 0.000 0.535