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 2dw2_1_B DATA FIRST_RESID 195 DATA SEQUENCE NPFRFVELVL VVDKAMVTKN NGDLDKIKTR MYEIVNTVNE IYRYMYIHVA DATA SEQUENCE LVGLEIWSNE DKITVKPEAG YTLNAFGEWR KTDLLTRKKH DNAQLLTAID DATA SEQUENCE LDRVIGLAYV GSMcHPKRST GIIQDYSEIN LVVAVIMAHE MGHNLGINHD DATA SEQUENCE SGYcScGDYA cIMRPEISPE PSTFFSNcSY FECWDFIMNH NPEcILNEPL DATA SEQUENCE GTDIISPPVc GNELLEVGEE cDcGTPENcQ NEccDAATcK LKSGSQcGHG DATA SEQUENCE DccEQcKFSK SGTEcRASMS EcDPAEHcTG QSSEcPADVF HKNGQPcLDN DATA SEQUENCE YGYcYNGNcP IMYHQcYDLF GADVYEAEDS cFERNQKGNY YGYcRKENGN DATA SEQUENCE KIPcAPEDVK cGRLYcKDNS PGQNNPcKMF YSNEDEHKGM VLPGTKcADG DATA SEQUENCE KVcSNGHcVD VATAY 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 195 N HA 0.000 nan 4.740 nan 0.000 0.220 195 N C 0.000 175.607 175.510 0.162 0.000 1.280 195 N CA 0.000 53.164 53.050 0.190 0.000 0.885 195 N CB 0.000 38.640 38.487 0.256 0.000 1.341 196 P HA 0.310 nan 4.420 nan 0.000 0.236 196 P C -0.028 177.335 177.300 0.106 0.000 1.174 196 P CA 0.100 63.218 63.100 0.029 0.000 0.840 196 P CB 0.228 31.826 31.700 -0.169 0.000 0.947 197 F N 2.061 122.076 119.950 0.109 0.000 2.629 197 F HA 0.020 4.546 4.527 -0.000 0.000 0.377 197 F C 1.496 177.150 175.800 -0.244 0.000 1.101 197 F CA 0.611 58.541 58.000 -0.117 0.000 1.301 197 F CB 0.396 39.121 39.000 -0.458 0.000 1.062 197 F HN -0.191 nan 8.300 nan 0.000 0.583 198 R N 3.086 123.545 120.500 -0.068 0.000 2.787 198 R HA 0.572 4.911 4.340 -0.000 0.000 0.271 198 R C -1.375 174.727 176.300 -0.331 0.000 0.993 198 R CA -0.974 55.092 56.100 -0.057 0.000 0.993 198 R CB 1.503 31.814 30.300 0.018 0.000 1.155 198 R HN 0.413 nan 8.270 nan 0.000 0.486 199 F N -0.597 119.433 119.950 0.134 0.000 2.551 199 F HA 0.450 4.976 4.527 -0.000 0.000 0.316 199 F C -0.067 175.767 175.800 0.056 0.000 1.089 199 F CA -1.026 57.045 58.000 0.118 0.000 0.915 199 F CB 1.837 40.910 39.000 0.122 0.000 1.186 199 F HN -0.067 nan 8.300 nan 0.000 0.456 200 V N 1.888 121.924 119.914 0.202 0.000 2.376 200 V HA 0.274 4.394 4.120 -0.000 0.000 0.287 200 V C -0.506 175.658 176.094 0.118 0.000 1.015 200 V CA -0.906 61.453 62.300 0.099 0.000 0.834 200 V CB 1.324 33.135 31.823 -0.020 0.000 1.001 200 V HN 0.701 nan 8.190 nan 0.000 0.428 201 E N 4.245 124.517 120.200 0.119 0.000 1.941 201 E HA 0.265 4.615 4.350 -0.000 0.000 0.275 201 E C -0.496 176.188 176.600 0.140 0.000 1.113 201 E CA -0.438 56.032 56.400 0.117 0.000 0.878 201 E CB 1.248 31.011 29.700 0.105 0.000 1.070 201 E HN 0.454 nan 8.360 nan 0.000 0.399 202 L N 3.740 125.036 121.223 0.123 0.000 2.375 202 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 202 L C -0.889 176.058 176.870 0.129 0.000 1.107 202 L CA -0.424 54.499 54.840 0.138 0.000 0.806 202 L CB 1.400 43.520 42.059 0.102 0.000 1.146 202 L HN 0.180 nan 8.230 nan 0.000 0.447 203 V N 5.835 125.833 119.914 0.140 0.000 2.531 203 V HA 0.426 4.546 4.120 -0.000 0.000 0.301 203 V C -0.312 175.839 176.094 0.095 0.000 1.034 203 V CA -0.569 61.763 62.300 0.054 0.000 0.865 203 V CB 1.688 33.418 31.823 -0.155 0.000 0.995 203 V HN 0.614 nan 8.190 nan 0.000 0.424 204 L N 5.204 126.463 121.223 0.060 0.000 2.307 204 L HA 0.674 5.013 4.340 -0.000 0.000 0.284 204 L C -0.730 176.127 176.870 -0.023 0.000 1.023 204 L CA -0.768 54.090 54.840 0.029 0.000 0.810 204 L CB 2.036 44.099 42.059 0.006 0.000 1.231 204 L HN 0.356 nan 8.230 nan 0.000 0.423 205 V N 4.267 124.127 119.914 -0.089 0.000 2.448 205 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 205 V C -0.151 175.679 176.094 -0.440 0.000 1.025 205 V CA -0.646 61.480 62.300 -0.290 0.000 0.859 205 V CB 2.113 33.772 31.823 -0.272 0.000 0.988 205 V HN 0.393 nan 8.190 nan 0.000 0.431 206 V N 5.193 124.829 119.914 -0.465 0.000 2.357 206 V HA 0.339 4.459 4.120 -0.000 0.000 0.284 206 V C 0.020 175.860 176.094 -0.424 0.000 1.018 206 V CA -0.757 61.329 62.300 -0.357 0.000 0.841 206 V CB 1.580 33.278 31.823 -0.209 0.000 0.991 206 V HN 1.025 nan 8.190 nan 0.000 0.437 207 D N 4.413 124.606 120.400 -0.345 0.000 2.384 207 D HA 0.038 4.677 4.640 -0.000 0.000 0.244 207 D C 1.106 177.434 176.300 0.046 0.000 1.251 207 D CA -0.577 53.361 54.000 -0.104 0.000 0.961 207 D CB 1.066 41.863 40.800 -0.005 0.000 1.116 207 D HN 0.247 nan 8.370 nan 0.000 0.484 208 K N 0.514 121.017 120.400 0.171 0.000 2.074 208 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 208 K C 1.934 178.561 176.600 0.045 0.000 1.048 208 K CA 2.097 58.450 56.287 0.109 0.000 0.926 208 K CB -0.942 31.621 32.500 0.105 0.000 0.713 208 K HN 0.498 nan 8.250 nan 0.000 0.444 209 A N 0.483 123.322 122.820 0.031 0.000 1.883 209 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 209 A C 2.195 179.773 177.584 -0.010 0.000 1.186 209 A CA 1.948 53.989 52.037 0.006 0.000 0.624 209 A CB -0.516 18.485 19.000 0.001 0.000 0.822 209 A HN 0.331 nan 8.150 nan 0.000 0.444 210 M N -0.325 119.259 119.600 -0.026 0.000 2.108 210 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 210 M C 2.222 178.502 176.300 -0.034 0.000 1.066 210 M CA 1.401 56.676 55.300 -0.042 0.000 1.107 210 M CB -1.159 31.398 32.600 -0.072 0.000 1.356 210 M HN 0.282 nan 8.290 nan 0.000 0.406 211 V N -0.299 119.602 119.914 -0.021 0.000 2.343 211 V HA -0.248 3.871 4.120 -0.000 0.000 0.247 211 V C 2.327 178.415 176.094 -0.010 0.000 1.051 211 V CA 2.125 64.418 62.300 -0.013 0.000 1.036 211 V CB -1.284 30.544 31.823 0.009 0.000 0.654 211 V HN 0.467 nan 8.190 nan 0.000 0.451 212 T N -0.499 114.053 114.554 -0.005 0.000 2.821 212 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 212 T C 1.921 176.613 174.700 -0.013 0.000 1.046 212 T CA 1.613 63.709 62.100 -0.006 0.000 1.139 212 T CB -0.226 68.641 68.868 -0.002 0.000 0.871 212 T HN 0.453 nan 8.240 nan 0.000 0.454 213 K N 1.154 121.544 120.400 -0.018 0.000 2.280 213 K HA -0.028 4.292 4.320 -0.000 0.000 0.202 213 K C 1.340 177.924 176.600 -0.026 0.000 1.047 213 K CA 0.927 57.201 56.287 -0.023 0.000 0.942 213 K CB 0.032 32.516 32.500 -0.027 0.000 0.739 213 K HN 0.238 nan 8.250 nan 0.000 0.457 214 N N 0.980 119.664 118.700 -0.026 0.000 2.234 214 N HA 0.043 4.783 4.740 -0.000 0.000 0.227 214 N C -1.005 174.492 175.510 -0.023 0.000 1.151 214 N CA 0.066 53.099 53.050 -0.029 0.000 0.865 214 N CB 0.392 38.857 38.487 -0.037 0.000 1.066 214 N HN 0.229 nan 8.380 nan 0.000 0.515 215 N N 0.397 119.087 118.700 -0.018 0.000 2.738 215 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 215 N C 0.715 176.219 175.510 -0.011 0.000 1.047 215 N CA 0.182 53.224 53.050 -0.013 0.000 0.707 215 N CB -1.217 37.261 38.487 -0.014 0.000 0.937 215 N HN 0.400 nan 8.380 nan 0.000 0.545 216 G N 0.021 108.815 108.800 -0.010 0.000 2.186 216 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.266 216 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.266 216 G C -0.101 174.793 174.900 -0.010 0.000 0.982 216 G CA 0.569 45.665 45.100 -0.006 0.000 0.670 216 G HN 0.669 nan 8.290 nan 0.000 0.533 217 D N 0.453 120.843 120.400 -0.017 0.000 2.508 217 D HA 0.344 4.983 4.640 -0.000 0.000 0.224 217 D C 1.792 178.074 176.300 -0.030 0.000 1.171 217 D CA -0.533 53.454 54.000 -0.020 0.000 1.006 217 D CB 0.090 40.877 40.800 -0.023 0.000 1.073 217 D HN 0.043 nan 8.370 nan 0.000 0.513 218 L N 2.567 123.775 121.223 -0.024 0.000 2.131 218 L HA -0.122 4.217 4.340 -0.000 0.000 0.210 218 L C 1.963 178.802 176.870 -0.051 0.000 1.092 218 L CA 1.289 56.109 54.840 -0.034 0.000 0.759 218 L CB -0.331 41.719 42.059 -0.015 0.000 0.903 218 L HN 0.333 nan 8.230 nan 0.000 0.435 219 D N -0.585 119.793 120.400 -0.037 0.000 2.117 219 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 219 D C 2.159 178.417 176.300 -0.069 0.000 0.982 219 D CA 0.964 54.939 54.000 -0.041 0.000 0.828 219 D CB 0.103 40.894 40.800 -0.014 0.000 0.967 219 D HN 0.317 nan 8.370 nan 0.000 0.464 220 K N 0.828 121.193 120.400 -0.057 0.000 2.032 220 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 220 K C 2.315 178.856 176.600 -0.099 0.000 1.048 220 K CA 0.864 57.113 56.287 -0.064 0.000 0.927 220 K CB -0.119 32.352 32.500 -0.047 0.000 0.712 220 K HN 0.067 nan 8.250 nan 0.000 0.441 221 I N 1.095 121.602 120.570 -0.104 0.000 2.179 221 I HA -0.308 3.861 4.170 -0.000 0.000 0.242 221 I C 2.291 178.277 176.117 -0.219 0.000 1.088 221 I CA 1.456 62.677 61.300 -0.131 0.000 1.357 221 I CB -0.229 37.707 38.000 -0.106 0.000 1.051 221 I HN 0.195 nan 8.210 nan 0.000 0.409 222 K N 0.456 120.694 120.400 -0.270 0.000 2.009 222 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 222 K C 2.145 178.180 176.600 -0.943 0.000 1.049 222 K CA 2.241 58.209 56.287 -0.532 0.000 0.929 222 K CB -0.529 31.745 32.500 -0.376 0.000 0.714 222 K HN 0.491 nan 8.250 nan 0.000 0.440 223 T N -0.494 113.754 114.554 -0.510 0.000 2.833 223 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 223 T C 1.984 176.569 174.700 -0.191 0.000 1.054 223 T CA 1.007 62.937 62.100 -0.284 0.000 1.135 223 T CB -0.151 68.691 68.868 -0.043 0.000 0.869 223 T HN 0.180 nan 8.240 nan 0.000 0.466 224 R N 0.149 120.536 120.500 -0.188 0.000 2.066 224 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 224 R C 2.458 178.699 176.300 -0.099 0.000 1.131 224 R CA 1.328 57.366 56.100 -0.105 0.000 0.955 224 R CB -0.282 29.963 30.300 -0.092 0.000 0.851 224 R HN 0.297 nan 8.270 nan 0.000 0.432 225 M N -0.226 119.263 119.600 -0.185 0.000 2.202 225 M HA -0.205 4.274 4.480 -0.000 0.000 0.262 225 M C 1.890 178.208 176.300 0.030 0.000 1.063 225 M CA 1.485 56.718 55.300 -0.112 0.000 1.097 225 M CB -1.081 31.416 32.600 -0.171 0.000 1.382 225 M HN 0.277 nan 8.290 nan 0.000 0.413 226 Y N 0.396 120.692 120.300 -0.008 0.000 2.200 226 Y HA -0.193 4.357 4.550 -0.000 0.000 0.290 226 Y C 2.610 178.507 175.900 -0.005 0.000 1.137 226 Y CA 0.266 58.363 58.100 -0.005 0.000 1.163 226 Y CB -0.183 38.273 38.460 -0.008 0.000 0.988 226 Y HN 0.284 nan 8.280 nan 0.000 0.518 227 E N 0.700 120.985 120.200 0.141 0.000 2.017 227 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 227 E C 2.191 178.822 176.600 0.052 0.000 0.997 227 E CA 1.351 57.793 56.400 0.071 0.000 0.804 227 E CB -0.452 29.267 29.700 0.032 0.000 0.757 227 E HN 0.531 nan 8.360 nan 0.000 0.448 228 I N 1.010 121.603 120.570 0.038 0.000 2.118 228 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 228 I C 2.582 178.732 176.117 0.055 0.000 1.070 228 I CA 1.068 62.388 61.300 0.032 0.000 1.327 228 I CB -0.518 37.492 38.000 0.016 0.000 1.034 228 I HN -0.058 nan 8.210 nan 0.000 0.405 229 V N 0.964 120.923 119.914 0.075 0.000 2.392 229 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 229 V C 2.254 178.396 176.094 0.080 0.000 1.059 229 V CA 2.143 64.495 62.300 0.086 0.000 1.051 229 V CB -0.957 30.928 31.823 0.104 0.000 0.658 229 V HN 0.536 nan 8.190 nan 0.000 0.455 230 N N -0.135 118.607 118.700 0.070 0.000 2.309 230 N HA -0.135 4.605 4.740 -0.000 0.000 0.182 230 N C 1.744 177.281 175.510 0.046 0.000 1.018 230 N CA 1.752 54.831 53.050 0.047 0.000 0.876 230 N CB 0.139 38.646 38.487 0.033 0.000 0.972 230 N HN 0.500 nan 8.380 nan 0.000 0.434 231 T N 0.152 114.732 114.554 0.043 0.000 2.942 231 T HA 0.001 4.351 4.350 -0.000 0.000 0.265 231 T C 2.045 176.781 174.700 0.061 0.000 1.062 231 T CA 0.418 62.534 62.100 0.027 0.000 1.139 231 T CB 0.028 68.897 68.868 0.001 0.000 0.883 231 T HN -0.008 nan 8.240 nan 0.000 0.468 232 V N 2.504 122.478 119.914 0.100 0.000 2.407 232 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 232 V C 2.462 178.723 176.094 0.278 0.000 1.055 232 V CA 1.744 64.158 62.300 0.190 0.000 1.049 232 V CB -0.707 31.228 31.823 0.187 0.000 0.662 232 V HN 0.475 nan 8.190 nan 0.000 0.455 233 N N 0.279 119.093 118.700 0.190 0.000 2.166 233 N HA -0.187 4.552 4.740 -0.000 0.000 0.186 233 N C 1.788 177.435 175.510 0.229 0.000 1.019 233 N CA 1.694 54.866 53.050 0.203 0.000 0.856 233 N CB -0.078 38.466 38.487 0.096 0.000 0.993 233 N HN 0.601 nan 8.380 nan 0.000 0.426 234 E N -0.043 120.245 120.200 0.147 0.000 2.047 234 E HA -0.115 4.234 4.350 -0.000 0.000 0.191 234 E C 2.027 178.716 176.600 0.148 0.000 0.987 234 E CA 1.090 57.559 56.400 0.116 0.000 0.799 234 E CB -0.143 29.577 29.700 0.034 0.000 0.752 234 E HN 0.453 nan 8.360 nan 0.000 0.449 235 I N 0.294 120.933 120.570 0.116 0.000 2.248 235 I HA -0.285 3.884 4.170 -0.000 0.000 0.248 235 I C 1.722 177.984 176.117 0.240 0.000 1.107 235 I CA 1.308 62.646 61.300 0.064 0.000 1.373 235 I CB -0.207 37.764 38.000 -0.049 0.000 1.055 235 I HN 0.125 nan 8.210 nan 0.000 0.418 236 Y N 0.215 120.709 120.300 0.324 0.000 2.490 236 Y HA 0.025 4.574 4.550 -0.000 0.000 0.281 236 Y C 2.380 178.479 175.900 0.332 0.000 1.174 236 Y CA 0.297 58.613 58.100 0.361 0.000 1.295 236 Y CB -0.275 38.344 38.460 0.266 0.000 1.062 236 Y HN 0.038 nan 8.280 nan 0.000 0.522 237 R N -0.404 120.360 120.500 0.440 0.000 2.073 237 R HA -0.263 4.077 4.340 -0.000 0.000 0.234 237 R C 2.035 178.508 176.300 0.288 0.000 1.134 237 R CA 1.915 58.258 56.100 0.405 0.000 0.952 237 R CB -0.701 29.787 30.300 0.312 0.000 0.850 237 R HN 0.468 nan 8.270 nan 0.000 0.433 238 Y N 0.316 120.732 120.300 0.194 0.000 2.384 238 Y HA -0.142 4.408 4.550 -0.000 0.000 0.289 238 Y C 1.463 177.538 175.900 0.291 0.000 1.152 238 Y CA 1.381 59.584 58.100 0.170 0.000 1.258 238 Y CB 0.108 38.691 38.460 0.206 0.000 0.979 238 Y HN 0.069 nan 8.280 nan 0.000 0.549 239 M N -1.023 118.731 119.600 0.257 0.000 2.561 239 M HA -0.001 4.479 4.480 -0.000 0.000 0.238 239 M C -0.175 176.378 176.300 0.421 0.000 1.131 239 M CA 0.350 55.825 55.300 0.292 0.000 1.046 239 M CB -1.158 31.506 32.600 0.107 0.000 1.532 239 M HN 0.471 nan 8.290 nan 0.000 0.497 240 Y N -0.105 120.199 120.300 0.007 0.000 3.589 240 Y HA -0.227 4.322 4.550 -0.000 0.000 0.218 240 Y C -0.055 175.661 175.900 -0.306 0.000 1.234 240 Y CA 0.356 58.088 58.100 -0.613 0.000 1.576 240 Y CB -1.942 36.267 38.460 -0.417 0.000 1.487 240 Y HN 0.236 nan 8.280 nan 0.000 0.616 241 I N -0.624 120.072 120.570 0.210 0.000 2.689 241 I HA 0.367 4.537 4.170 -0.000 0.000 0.299 241 I C 0.040 176.316 176.117 0.266 0.000 1.059 241 I CA -0.744 60.664 61.300 0.180 0.000 1.055 241 I CB 2.121 40.168 38.000 0.079 0.000 1.243 241 I HN 0.075 nan 8.210 nan 0.000 0.425 242 H N 3.704 122.812 119.070 0.064 0.000 2.489 242 H HA 0.538 5.094 4.556 -0.000 0.000 0.343 242 H C -1.121 174.238 175.328 0.051 0.000 1.086 242 H CA -0.940 55.121 56.048 0.021 0.000 1.198 242 H CB 2.471 32.172 29.762 -0.103 0.000 1.490 242 H HN 0.167 nan 8.280 nan 0.000 0.504 243 V N 2.862 122.882 119.914 0.176 0.000 2.357 243 V HA 0.545 4.665 4.120 -0.000 0.000 0.284 243 V C -0.185 175.969 176.094 0.100 0.000 1.018 243 V CA -0.554 61.800 62.300 0.090 0.000 0.841 243 V CB 1.049 32.886 31.823 0.024 0.000 0.991 243 V HN 0.858 nan 8.190 nan 0.000 0.437 244 A N 4.993 127.878 122.820 0.109 0.000 2.342 244 A HA 0.852 5.172 4.320 -0.000 0.000 0.323 244 A C -1.055 176.570 177.584 0.068 0.000 1.125 244 A CA -0.651 51.431 52.037 0.076 0.000 0.785 244 A CB 1.399 20.448 19.000 0.081 0.000 1.221 244 A HN 0.758 nan 8.150 nan 0.000 0.463 245 L N 3.478 124.732 121.223 0.051 0.000 2.260 245 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 245 L C 0.757 177.654 176.870 0.044 0.000 1.057 245 L CA 0.322 55.199 54.840 0.063 0.000 0.811 245 L CB 1.483 43.593 42.059 0.085 0.000 1.184 245 L HN 0.773 nan 8.230 nan 0.000 0.429 246 V N 1.608 121.554 119.914 0.054 0.000 3.477 246 V HA 0.745 4.865 4.120 -0.000 0.000 0.297 246 V C 0.402 176.516 176.094 0.034 0.000 1.433 246 V CA 0.430 62.754 62.300 0.039 0.000 1.052 246 V CB 0.034 31.887 31.823 0.050 0.000 0.895 246 V HN 0.779 nan 8.190 nan 0.000 0.438 247 G N 0.716 109.538 108.800 0.038 0.000 2.750 247 G HA2 0.571 4.531 3.960 -0.000 0.000 0.298 247 G HA3 0.571 4.531 3.960 -0.000 0.000 0.298 247 G C -2.211 172.713 174.900 0.040 0.000 1.412 247 G CA -0.469 44.644 45.100 0.021 0.000 1.078 247 G HN 0.562 nan 8.290 nan 0.000 0.573 248 L N 1.256 122.511 121.223 0.053 0.000 2.518 248 L HA 0.674 5.014 4.340 -0.000 0.000 0.262 248 L C -0.408 176.483 176.870 0.034 0.000 0.982 248 L CA -0.748 54.118 54.840 0.045 0.000 0.873 248 L CB 1.663 43.767 42.059 0.075 0.000 1.198 248 L HN 0.673 nan 8.230 nan 0.000 0.427 249 E N 4.800 125.012 120.200 0.020 0.000 2.191 249 E HA 0.634 4.984 4.350 -0.000 0.000 0.278 249 E C -1.283 175.266 176.600 -0.084 0.000 0.972 249 E CA -0.606 55.818 56.400 0.041 0.000 0.804 249 E CB 1.284 31.080 29.700 0.160 0.000 1.110 249 E HN 0.687 nan 8.360 nan 0.000 0.394 250 I N 4.289 124.852 120.570 -0.012 0.000 2.476 250 I HA 0.179 4.349 4.170 -0.000 0.000 0.281 250 I C -0.726 175.465 176.117 0.124 0.000 1.040 250 I CA -0.856 60.412 61.300 -0.054 0.000 1.094 250 I CB 0.960 38.944 38.000 -0.027 0.000 1.219 250 I HN 0.574 nan 8.210 nan 0.000 0.450 251 W N 5.574 126.860 121.300 -0.024 0.000 1.319 251 W HA 0.079 4.739 4.660 -0.000 0.000 0.506 251 W C 1.674 178.175 176.519 -0.030 0.000 0.626 251 W CA -0.568 56.755 57.345 -0.036 0.000 2.268 251 W CB -0.995 28.419 29.460 -0.076 0.000 1.536 251 W HN 0.634 nan 8.180 nan 0.000 0.199 252 S N -0.628 115.177 115.700 0.175 0.000 2.453 252 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 252 S C 1.428 176.073 174.600 0.074 0.000 1.005 252 S CA 0.854 59.111 58.200 0.095 0.000 0.949 252 S CB 0.160 63.398 63.200 0.063 0.000 0.774 252 S HN 0.301 nan 8.310 nan 0.000 0.510 253 N N 1.283 120.028 118.700 0.075 0.000 2.335 253 N HA 0.253 4.993 4.740 -0.000 0.000 0.197 253 N C 0.232 175.750 175.510 0.012 0.000 1.045 253 N CA 0.863 53.932 53.050 0.033 0.000 0.928 253 N CB -0.143 38.355 38.487 0.018 0.000 1.118 253 N HN 0.383 nan 8.380 nan 0.000 0.471 254 E N 0.142 120.328 120.200 -0.023 0.000 2.383 254 E HA 0.271 4.621 4.350 -0.000 0.000 0.275 254 E C -1.790 174.690 176.600 -0.199 0.000 0.918 254 E CA -0.606 55.747 56.400 -0.079 0.000 0.764 254 E CB 1.656 31.293 29.700 -0.105 0.000 1.252 254 E HN -0.020 nan 8.360 nan 0.000 0.449 255 D N 1.876 122.152 120.400 -0.207 0.000 2.389 255 D HA 0.092 4.732 4.640 -0.000 0.000 0.247 255 D C 0.345 176.091 176.300 -0.923 0.000 1.128 255 D CA 0.181 53.902 54.000 -0.465 0.000 0.884 255 D CB 1.035 41.764 40.800 -0.119 0.000 1.194 255 D HN 0.348 nan 8.370 nan 0.000 0.441 256 K N 1.226 120.457 120.400 -1.950 0.000 2.487 256 K HA 0.134 4.454 4.320 -0.000 0.000 0.192 256 K C 0.776 176.860 176.600 -0.859 0.000 1.027 256 K CA 0.333 55.825 56.287 -1.325 0.000 1.054 256 K CB 0.131 31.715 32.500 -1.526 0.000 0.824 256 K HN 0.507 nan 8.250 nan 0.000 0.510 257 I N -4.103 116.042 120.570 -0.707 0.000 3.191 257 I HA 0.274 4.444 4.170 -0.000 0.000 0.313 257 I C -1.026 175.061 176.117 -0.050 0.000 1.193 257 I CA -0.968 60.212 61.300 -0.201 0.000 0.968 257 I CB 2.423 40.437 38.000 0.024 0.000 1.262 257 I HN -0.361 nan 8.210 nan 0.000 0.456 258 T N 3.203 117.813 114.554 0.092 0.000 2.863 258 T HA 0.329 4.679 4.350 -0.000 0.000 0.299 258 T C -0.087 174.712 174.700 0.164 0.000 0.973 258 T CA -0.239 61.926 62.100 0.109 0.000 0.994 258 T CB 0.053 69.006 68.868 0.142 0.000 0.961 258 T HN 0.352 nan 8.240 nan 0.000 0.552 259 V N 5.998 125.981 119.914 0.114 0.000 2.405 259 V HA 0.216 4.336 4.120 -0.000 0.000 0.264 259 V C 0.510 176.630 176.094 0.043 0.000 1.048 259 V CA -0.190 62.179 62.300 0.116 0.000 0.966 259 V CB -0.146 31.742 31.823 0.108 0.000 1.015 259 V HN 0.692 nan 8.190 nan 0.000 0.477 260 K N 7.030 127.451 120.400 0.036 0.000 2.208 260 K HA 0.478 4.798 4.320 -0.000 0.000 0.247 260 K C -1.914 174.682 176.600 -0.007 0.000 0.953 260 K CA -1.917 54.341 56.287 -0.049 0.000 0.837 260 K CB 1.774 34.145 32.500 -0.215 0.000 1.131 260 K HN 0.205 nan 8.250 nan 0.000 0.431 261 P HA -0.134 nan 4.420 nan 0.000 0.239 261 P C -0.454 176.848 177.300 0.004 0.000 1.184 261 P CA 0.903 63.999 63.100 -0.007 0.000 0.760 261 P CB 0.213 31.905 31.700 -0.013 0.000 0.884 262 E N 0.304 120.513 120.200 0.015 0.000 1.963 262 E HA 0.325 4.674 4.350 -0.000 0.000 0.274 262 E C 1.180 177.831 176.600 0.085 0.000 1.061 262 E CA -0.426 56.002 56.400 0.046 0.000 0.847 262 E CB 0.560 30.296 29.700 0.060 0.000 1.083 262 E HN -0.062 nan 8.360 nan 0.000 0.402 263 A N 4.254 127.099 122.820 0.042 0.000 1.881 263 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 263 A C 2.029 179.638 177.584 0.041 0.000 1.215 263 A CA 2.234 54.286 52.037 0.025 0.000 0.648 263 A CB -1.293 17.699 19.000 -0.014 0.000 0.832 263 A HN 0.778 nan 8.150 nan 0.000 0.455 264 G N -2.137 106.685 108.800 0.037 0.000 2.469 264 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 264 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 264 G C 1.562 176.508 174.900 0.076 0.000 1.150 264 G CA 1.462 46.580 45.100 0.029 0.000 0.763 264 G HN 0.674 nan 8.290 nan 0.000 0.561 265 Y N 1.551 121.868 120.300 0.028 0.000 2.089 265 Y HA -0.161 4.389 4.550 -0.000 0.000 0.282 265 Y C 3.218 179.164 175.900 0.078 0.000 1.139 265 Y CA 2.451 60.582 58.100 0.052 0.000 1.123 265 Y CB -0.404 38.080 38.460 0.041 0.000 0.980 265 Y HN 0.200 nan 8.280 nan 0.000 0.493 266 T N 1.482 116.253 114.554 0.362 0.000 2.720 266 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 266 T C 1.752 176.574 174.700 0.203 0.000 1.037 266 T CA 1.553 63.824 62.100 0.285 0.000 1.144 266 T CB -0.709 68.270 68.868 0.186 0.000 0.864 266 T HN 0.328 nan 8.240 nan 0.000 0.444 267 L N 2.403 123.695 121.223 0.116 0.000 2.012 267 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 267 L C 2.160 179.149 176.870 0.198 0.000 1.073 267 L CA 1.852 56.753 54.840 0.100 0.000 0.748 267 L CB -0.949 41.037 42.059 -0.122 0.000 0.891 267 L HN 0.262 nan 8.230 nan 0.000 0.431 268 N N -0.261 118.513 118.700 0.124 0.000 2.120 268 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 268 N C 1.762 177.342 175.510 0.118 0.000 1.024 268 N CA 1.554 54.698 53.050 0.156 0.000 0.852 268 N CB -0.018 38.488 38.487 0.031 0.000 1.003 268 N HN 0.506 nan 8.380 nan 0.000 0.424 269 A N 0.703 123.548 122.820 0.042 0.000 1.877 269 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 269 A C 2.069 179.827 177.584 0.290 0.000 1.186 269 A CA 1.080 53.174 52.037 0.096 0.000 0.620 269 A CB -1.188 17.866 19.000 0.089 0.000 0.822 269 A HN 0.463 nan 8.150 nan 0.000 0.443 270 F N 1.365 121.448 119.950 0.221 0.000 2.216 270 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 270 F C 2.213 178.249 175.800 0.393 0.000 1.085 270 F CA 1.229 59.433 58.000 0.340 0.000 1.326 270 F CB -0.686 38.469 39.000 0.259 0.000 1.027 270 F HN 0.182 nan 8.300 nan 0.000 0.497 271 G N -0.044 108.901 108.800 0.241 0.000 2.404 271 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.215 271 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.215 271 G C 1.586 176.522 174.900 0.060 0.000 1.174 271 G CA 0.684 45.868 45.100 0.139 0.000 0.780 271 G HN 0.311 nan 8.290 nan 0.000 0.537 272 E N -0.035 120.230 120.200 0.107 0.000 2.038 272 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 272 E C 2.048 178.694 176.600 0.077 0.000 1.000 272 E CA 1.115 57.562 56.400 0.078 0.000 0.803 272 E CB -0.463 29.292 29.700 0.090 0.000 0.750 272 E HN 0.656 nan 8.360 nan 0.000 0.448 273 W N 2.431 123.717 121.300 -0.022 0.000 2.350 273 W HA -0.174 4.485 4.660 -0.000 0.000 0.289 273 W C 2.295 178.779 176.519 -0.058 0.000 1.215 273 W CA 1.666 59.003 57.345 -0.014 0.000 1.236 273 W CB -0.099 29.394 29.460 0.055 0.000 1.130 273 W HN -0.065 nan 8.180 nan 0.000 0.541 274 R N 1.309 121.639 120.500 -0.283 0.000 2.092 274 R HA -0.179 4.161 4.340 -0.000 0.000 0.231 274 R C 2.224 178.327 176.300 -0.330 0.000 1.119 274 R CA 2.083 57.906 56.100 -0.462 0.000 0.970 274 R CB -0.450 29.659 30.300 -0.318 0.000 0.864 274 R HN 0.427 nan 8.270 nan 0.000 0.440 275 K N -0.563 119.716 120.400 -0.202 0.000 2.098 275 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 275 K C 1.362 177.868 176.600 -0.156 0.000 1.051 275 K CA 1.536 57.736 56.287 -0.145 0.000 0.957 275 K CB -0.195 32.257 32.500 -0.079 0.000 0.738 275 K HN 0.070 nan 8.250 nan 0.000 0.447 276 T N -1.746 112.713 114.554 -0.158 0.000 3.312 276 T HA 0.104 4.454 4.350 -0.000 0.000 0.251 276 T C 0.273 174.860 174.700 -0.189 0.000 1.012 276 T CA -0.162 61.862 62.100 -0.126 0.000 0.925 276 T CB 0.214 69.049 68.868 -0.055 0.000 1.049 276 T HN 0.324 nan 8.240 nan 0.000 0.583 277 D N -0.568 119.628 120.400 -0.340 0.000 2.245 277 D HA 0.017 4.657 4.640 -0.000 0.000 0.083 277 D C 1.275 177.320 176.300 -0.425 0.000 1.462 277 D CA -0.119 53.637 54.000 -0.406 0.000 1.234 277 D CB -0.290 40.106 40.800 -0.673 0.000 2.638 277 D HN 0.183 nan 8.370 nan 0.000 0.203 278 L N 2.056 122.823 121.223 -0.760 0.000 1.956 278 L HA -0.069 4.271 4.340 -0.000 0.000 0.216 278 L C 2.561 179.324 176.870 -0.178 0.000 1.073 278 L CA 1.818 56.368 54.840 -0.483 0.000 0.762 278 L CB -0.980 40.675 42.059 -0.672 0.000 0.889 278 L HN 0.328 nan 8.230 nan 0.000 0.433 279 L N -0.750 120.418 121.223 -0.092 0.000 2.270 279 L HA -0.239 4.101 4.340 -0.000 0.000 0.217 279 L C 2.291 179.144 176.870 -0.029 0.000 1.107 279 L CA 2.275 57.136 54.840 0.035 0.000 0.772 279 L CB -1.012 41.013 42.059 -0.057 0.000 0.902 279 L HN 0.422 nan 8.230 nan 0.000 0.439 280 T N -0.258 114.245 114.554 -0.084 0.000 2.812 280 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 280 T C 1.672 176.351 174.700 -0.035 0.000 1.042 280 T CA 1.658 63.720 62.100 -0.063 0.000 1.140 280 T CB -0.082 68.738 68.868 -0.080 0.000 0.870 280 T HN 0.551 nan 8.240 nan 0.000 0.445 281 R N -0.338 120.140 120.500 -0.037 0.000 2.362 281 R HA 0.341 4.681 4.340 -0.000 0.000 0.227 281 R C 0.290 176.592 176.300 0.003 0.000 0.905 281 R CA -0.120 55.974 56.100 -0.011 0.000 1.067 281 R CB 0.446 30.744 30.300 -0.004 0.000 1.078 281 R HN -0.074 nan 8.270 nan 0.000 0.516 282 K N 1.909 122.316 120.400 0.012 0.000 2.535 282 K HA 0.280 4.600 4.320 -0.000 0.000 0.250 282 K C -1.550 175.145 176.600 0.159 0.000 0.948 282 K CA -0.768 55.543 56.287 0.040 0.000 0.796 282 K CB 2.032 34.513 32.500 -0.032 0.000 1.216 282 K HN -0.114 nan 8.250 nan 0.000 0.432 283 K N 4.318 124.797 120.400 0.132 0.000 2.276 283 K HA 0.327 4.647 4.320 -0.000 0.000 0.285 283 K C 0.055 176.793 176.600 0.230 0.000 1.062 283 K CA -0.366 56.006 56.287 0.143 0.000 0.918 283 K CB 0.522 33.055 32.500 0.055 0.000 1.055 283 K HN 0.632 nan 8.250 nan 0.000 0.477 284 H N -0.315 118.756 119.070 0.002 0.000 2.981 284 H HA 0.347 4.902 4.556 -0.000 0.000 0.327 284 H C -0.846 174.497 175.328 0.025 0.000 1.342 284 H CA -0.839 55.221 56.048 0.020 0.000 1.123 284 H CB 1.000 30.781 29.762 0.031 0.000 1.851 284 H HN 0.356 nan 8.280 nan 0.000 0.531 285 D N -0.177 120.221 120.400 -0.004 0.000 2.269 285 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 285 D C 0.268 176.538 176.300 -0.051 0.000 0.962 285 D CA 0.801 54.770 54.000 -0.051 0.000 0.884 285 D CB 0.703 41.523 40.800 0.034 0.000 1.023 285 D HN 0.481 nan 8.370 nan 0.000 0.484 286 N N -0.152 118.594 118.700 0.078 0.000 2.242 286 N HA 0.484 5.224 4.740 -0.000 0.000 0.292 286 N C -1.890 173.799 175.510 0.299 0.000 1.125 286 N CA -0.356 52.778 53.050 0.140 0.000 0.783 286 N CB 2.637 41.187 38.487 0.104 0.000 1.558 286 N HN -0.071 nan 8.380 nan 0.000 0.472 287 A N 2.288 125.303 122.820 0.324 0.000 2.356 287 A HA 0.559 4.879 4.320 -0.000 0.000 0.310 287 A C -1.158 176.696 177.584 0.449 0.000 1.075 287 A CA -0.591 51.694 52.037 0.414 0.000 0.746 287 A CB 1.432 20.722 19.000 0.483 0.000 1.221 287 A HN 0.565 nan 8.150 nan 0.000 0.443 288 Q N 1.170 121.161 119.800 0.317 0.000 2.340 288 Q HA 0.447 4.787 4.340 -0.000 0.000 0.268 288 Q C -1.554 174.402 176.000 -0.073 0.000 1.031 288 Q CA -0.692 55.196 55.803 0.141 0.000 0.804 288 Q CB 2.434 31.221 28.738 0.082 0.000 1.286 288 Q HN 0.691 nan 8.270 nan 0.000 0.448 289 L N 3.582 124.535 121.223 -0.450 0.000 2.272 289 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 289 L C -1.343 175.295 176.870 -0.386 0.000 1.032 289 L CA -0.615 53.818 54.840 -0.678 0.000 0.810 289 L CB 0.862 42.087 42.059 -1.389 0.000 1.205 289 L HN 0.497 nan 8.230 nan 0.000 0.422 290 L N 5.224 126.270 121.223 -0.295 0.000 2.262 290 L HA 0.568 4.908 4.340 -0.000 0.000 0.288 290 L C -0.089 176.666 176.870 -0.191 0.000 1.035 290 L CA 0.435 55.160 54.840 -0.192 0.000 0.820 290 L CB 1.180 43.155 42.059 -0.140 0.000 1.204 290 L HN 0.782 nan 8.230 nan 0.000 0.424 291 T N 2.950 117.417 114.554 -0.144 0.000 2.885 291 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 291 T C 0.782 175.448 174.700 -0.057 0.000 1.019 291 T CA 0.000 62.038 62.100 -0.104 0.000 1.010 291 T CB 1.653 70.468 68.868 -0.088 0.000 1.022 291 T HN 0.687 nan 8.240 nan 0.000 0.466 292 A N 4.417 127.213 122.820 -0.041 0.000 2.218 292 A HA 0.392 4.712 4.320 -0.000 0.000 0.209 292 A C 0.925 178.503 177.584 -0.010 0.000 1.168 292 A CA -0.088 51.936 52.037 -0.023 0.000 0.804 292 A CB -0.519 18.466 19.000 -0.025 0.000 0.834 292 A HN 0.820 nan 8.150 nan 0.000 0.482 293 I N 0.977 121.541 120.570 -0.010 0.000 2.648 293 I HA -0.022 4.148 4.170 -0.000 0.000 0.284 293 I C -0.020 176.101 176.117 0.007 0.000 1.153 293 I CA -0.152 61.146 61.300 -0.003 0.000 1.426 293 I CB 0.587 38.585 38.000 -0.003 0.000 1.381 293 I HN 0.094 nan 8.210 nan 0.000 0.571 294 D N 7.448 127.855 120.400 0.012 0.000 2.416 294 D HA 0.202 4.842 4.640 -0.000 0.000 0.240 294 D C 0.019 176.329 176.300 0.018 0.000 1.250 294 D CA -0.098 53.919 54.000 0.028 0.000 0.967 294 D CB 0.120 40.935 40.800 0.025 0.000 1.059 294 D HN 0.243 nan 8.370 nan 0.000 0.512 295 L N 2.304 123.535 121.223 0.013 0.000 2.492 295 L HA 0.048 4.388 4.340 -0.000 0.000 0.280 295 L C 0.774 177.644 176.870 0.001 0.000 1.240 295 L CA 0.111 54.951 54.840 -0.000 0.000 0.831 295 L CB 0.332 42.381 42.059 -0.016 0.000 1.100 295 L HN 0.307 nan 8.230 nan 0.000 0.505 296 D N 1.644 122.043 120.400 -0.002 0.000 2.264 296 D HA 0.212 4.852 4.640 -0.000 0.000 0.250 296 D C 0.779 177.075 176.300 -0.007 0.000 1.113 296 D CA -0.145 53.854 54.000 -0.001 0.000 0.871 296 D CB 1.197 41.997 40.800 0.000 0.000 1.167 296 D HN 0.440 nan 8.370 nan 0.000 0.447 297 R N -0.624 119.873 120.500 -0.006 0.000 3.793 297 R HA -0.251 4.089 4.340 -0.000 0.000 0.318 297 R C 0.657 176.937 176.300 -0.032 0.000 0.729 297 R CA 1.814 57.906 56.100 -0.013 0.000 1.731 297 R CB -1.694 28.601 30.300 -0.007 0.000 1.879 297 R HN 0.455 nan 8.270 nan 0.000 0.498 298 V N -1.669 118.218 119.914 -0.044 0.000 3.181 298 V HA 0.636 4.756 4.120 -0.000 0.000 0.314 298 V C 1.120 177.141 176.094 -0.121 0.000 1.173 298 V CA -0.228 62.024 62.300 -0.080 0.000 1.052 298 V CB 1.861 33.649 31.823 -0.059 0.000 1.123 298 V HN 0.278 nan 8.190 nan 0.000 0.454 299 I N -2.193 118.263 120.570 -0.190 0.000 4.154 299 I HA 0.827 4.996 4.170 -0.000 0.000 0.334 299 I C 0.598 176.619 176.117 -0.159 0.000 1.371 299 I CA 0.305 61.454 61.300 -0.251 0.000 1.110 299 I CB 0.482 38.157 38.000 -0.542 0.000 1.085 299 I HN 0.931 nan 8.210 nan 0.000 0.398 300 G N 1.324 110.059 108.800 -0.109 0.000 2.559 300 G HA2 0.634 4.594 3.960 -0.000 0.000 0.291 300 G HA3 0.634 4.594 3.960 -0.000 0.000 0.291 300 G C -2.308 172.576 174.900 -0.027 0.000 1.424 300 G CA -0.551 44.517 45.100 -0.054 0.000 0.786 300 G HN 0.075 nan 8.290 nan 0.000 0.485 301 L N -0.590 120.622 121.223 -0.018 0.000 2.672 301 L HA 0.864 5.204 4.340 -0.000 0.000 0.256 301 L C -0.845 175.970 176.870 -0.092 0.000 0.946 301 L CA 0.416 55.217 54.840 -0.064 0.000 0.889 301 L CB 1.909 43.908 42.059 -0.099 0.000 1.441 301 L HN 2.071 nan 8.230 nan 0.000 0.418 302 A N 1.893 124.608 122.820 -0.174 0.000 2.599 302 A HA 0.650 4.970 4.320 -0.000 0.000 0.294 302 A C -1.956 175.474 177.584 -0.257 0.000 1.055 302 A CA -0.584 51.340 52.037 -0.189 0.000 0.683 302 A CB 0.521 19.537 19.000 0.027 0.000 1.278 302 A HN 0.513 nan 8.150 nan 0.000 0.412 303 Y N 0.121 120.409 120.300 -0.021 0.000 2.457 303 Y HA 0.378 4.927 4.550 -0.000 0.000 0.341 303 Y C 0.902 176.756 175.900 -0.077 0.000 1.240 303 Y CA 0.210 58.272 58.100 -0.063 0.000 1.437 303 Y CB 0.534 38.955 38.460 -0.066 0.000 1.328 303 Y HN 0.403 nan 8.280 nan 0.000 0.588 304 V N 1.059 121.011 119.914 0.062 0.000 2.532 304 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 304 V C 0.535 176.556 176.094 -0.122 0.000 1.041 304 V CA -0.721 61.559 62.300 -0.034 0.000 0.926 304 V CB 1.037 32.834 31.823 -0.044 0.000 0.992 304 V HN 0.999 nan 8.190 nan 0.000 0.457 305 G N 4.097 112.680 108.800 -0.362 0.000 2.369 305 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.286 305 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.286 305 G C 0.421 175.212 174.900 -0.183 0.000 0.938 305 G CA 0.682 45.343 45.100 -0.731 0.000 1.271 305 G HN 1.410 nan 8.290 nan 0.000 0.488 306 S N -1.102 114.533 115.700 -0.108 0.000 2.937 306 S HA 0.472 4.942 4.470 -0.000 0.000 0.252 306 S C 0.611 175.295 174.600 0.140 0.000 1.022 306 S CA 0.389 58.632 58.200 0.071 0.000 1.079 306 S CB 0.359 63.553 63.200 -0.010 0.000 1.035 306 S HN 0.834 nan 8.310 nan 0.000 0.594 307 M N 2.126 121.804 119.600 0.131 0.000 2.248 307 M HA 0.267 4.747 4.480 -0.000 0.000 0.343 307 M C 0.787 177.185 176.300 0.164 0.000 1.243 307 M CA 0.487 55.870 55.300 0.139 0.000 1.025 307 M CB -0.990 31.699 32.600 0.148 0.000 1.759 307 M HN 0.635 nan 8.290 nan 0.000 0.452 308 c N 1.141 119.800 118.600 0.098 0.000 5.538 308 c HA -0.188 4.382 4.570 -0.000 0.000 0.254 308 c C 0.551 174.666 174.090 0.042 0.000 1.712 308 c CA 0.575 56.934 56.329 0.050 0.000 1.530 308 c CB -3.202 39.339 42.510 0.051 0.000 2.410 308 c HN 0.936 nan 8.230 nan 0.000 0.564 309 H N 3.348 122.418 119.070 -0.001 0.000 2.803 309 H HA 0.144 4.700 4.556 -0.000 0.000 0.330 309 H C -0.874 174.416 175.328 -0.063 0.000 1.057 309 H CA -0.178 55.852 56.048 -0.030 0.000 1.458 309 H CB 1.342 31.085 29.762 -0.033 0.000 1.470 309 H HN 0.253 nan 8.280 nan 0.000 0.560 310 P HA -0.214 nan 4.420 nan 0.000 0.215 310 P C 1.227 178.568 177.300 0.068 0.000 1.157 310 P CA 1.756 64.808 63.100 -0.080 0.000 0.874 310 P CB 0.476 32.067 31.700 -0.181 0.000 0.790 311 K N -0.580 119.989 120.400 0.281 0.000 2.202 311 K HA 0.056 4.375 4.320 -0.000 0.000 0.201 311 K C 2.292 178.896 176.600 0.008 0.000 1.051 311 K CA 0.286 56.642 56.287 0.115 0.000 0.977 311 K CB 0.184 32.722 32.500 0.063 0.000 0.792 311 K HN -0.097 nan 8.250 nan 0.000 0.469 312 R N 0.127 120.537 120.500 -0.149 0.000 2.276 312 R HA 0.079 4.418 4.340 -0.000 0.000 0.196 312 R C 0.835 177.214 176.300 0.131 0.000 0.961 312 R CA 0.122 56.010 56.100 -0.353 0.000 1.024 312 R CB 0.351 30.110 30.300 -0.903 0.000 0.940 312 R HN -0.051 nan 8.270 nan 0.000 0.480 313 S N 1.697 117.490 115.700 0.155 0.000 4.085 313 S HA 0.028 4.498 4.470 -0.000 0.000 0.189 313 S C -0.229 174.497 174.600 0.209 0.000 1.392 313 S CA -0.140 58.154 58.200 0.157 0.000 0.972 313 S CB -0.522 62.737 63.200 0.098 0.000 1.482 313 S HN 0.358 nan 8.310 nan 0.000 0.446 314 T N -1.369 113.367 114.554 0.304 0.000 2.762 314 T HA 0.851 5.200 4.350 -0.000 0.000 0.301 314 T C -0.232 174.648 174.700 0.300 0.000 1.299 314 T CA -0.466 61.858 62.100 0.374 0.000 1.005 314 T CB 1.477 70.638 68.868 0.489 0.000 1.377 314 T HN 0.478 nan 8.240 nan 0.000 0.504 315 G N -0.031 108.935 108.800 0.277 0.000 2.547 315 G HA2 0.589 4.549 3.960 -0.000 0.000 0.291 315 G HA3 0.589 4.549 3.960 -0.000 0.000 0.291 315 G C -1.565 173.341 174.900 0.010 0.000 1.471 315 G CA -0.656 44.506 45.100 0.103 0.000 0.798 315 G HN 1.399 nan 8.290 nan 0.000 0.504 316 I N -1.515 119.019 120.570 -0.060 0.000 2.530 316 I HA 0.893 5.063 4.170 -0.000 0.000 0.297 316 I C -1.334 174.732 176.117 -0.086 0.000 1.011 316 I CA -1.320 59.893 61.300 -0.145 0.000 1.107 316 I CB 2.091 39.998 38.000 -0.154 0.000 1.285 316 I HN 0.252 nan 8.210 nan 0.000 0.436 317 I N 4.040 124.548 120.570 -0.103 0.000 2.608 317 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 317 I C -0.324 175.751 176.117 -0.070 0.000 1.049 317 I CA -0.263 60.998 61.300 -0.065 0.000 1.063 317 I CB 2.010 39.986 38.000 -0.040 0.000 1.248 317 I HN 0.672 nan 8.210 nan 0.000 0.424 318 Q N 3.339 123.108 119.800 -0.050 0.000 2.271 318 Q HA 0.244 4.584 4.340 -0.000 0.000 0.258 318 Q C -0.734 175.283 176.000 0.028 0.000 0.936 318 Q CA -0.633 55.161 55.803 -0.016 0.000 0.909 318 Q CB 1.198 29.938 28.738 0.002 0.000 1.253 318 Q HN 0.564 nan 8.270 nan 0.000 0.440 319 D N 3.359 123.772 120.400 0.021 0.000 2.597 319 D HA -0.066 4.574 4.640 -0.000 0.000 0.228 319 D C 0.198 176.546 176.300 0.080 0.000 1.120 319 D CA 0.286 54.303 54.000 0.028 0.000 1.083 319 D CB -0.162 40.631 40.800 -0.012 0.000 1.116 319 D HN 0.570 nan 8.370 nan 0.000 0.487 320 Y N 1.774 122.045 120.300 -0.050 0.000 2.242 320 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 320 Y C 1.020 176.894 175.900 -0.044 0.000 1.137 320 Y CA 0.865 58.937 58.100 -0.047 0.000 1.181 320 Y CB 0.168 38.597 38.460 -0.052 0.000 0.989 320 Y HN 0.281 nan 8.280 nan 0.000 0.527 321 S N -1.569 114.134 115.700 0.004 0.000 2.627 321 S HA 0.280 4.750 4.470 -0.000 0.000 0.283 321 S C 0.536 175.109 174.600 -0.047 0.000 1.127 321 S CA -0.717 57.438 58.200 -0.076 0.000 0.863 321 S CB 1.384 64.552 63.200 -0.052 0.000 1.121 321 S HN 0.145 nan 8.310 nan 0.000 0.479 322 E N 1.201 121.366 120.200 -0.059 0.000 2.274 322 E HA 0.115 4.465 4.350 -0.000 0.000 0.194 322 E C 0.174 176.753 176.600 -0.036 0.000 0.996 322 E CA 0.527 56.899 56.400 -0.046 0.000 0.840 322 E CB -0.087 29.583 29.700 -0.049 0.000 0.772 322 E HN 0.634 nan 8.360 nan 0.000 0.491 323 I N 2.374 122.923 120.570 -0.035 0.000 2.505 323 I HA -0.044 4.126 4.170 -0.000 0.000 0.287 323 I C 1.418 177.522 176.117 -0.022 0.000 1.104 323 I CA 0.057 61.340 61.300 -0.028 0.000 1.387 323 I CB 0.171 38.154 38.000 -0.028 0.000 1.404 323 I HN -0.018 nan 8.210 nan 0.000 0.528 324 N N 4.151 122.837 118.700 -0.024 0.000 2.149 324 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 324 N C 1.813 177.310 175.510 -0.022 0.000 1.019 324 N CA 0.691 53.729 53.050 -0.020 0.000 0.857 324 N CB -0.018 38.458 38.487 -0.019 0.000 0.997 324 N HN 0.562 nan 8.380 nan 0.000 0.426 325 L N 1.347 122.550 121.223 -0.033 0.000 2.079 325 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 325 L C 1.972 178.816 176.870 -0.044 0.000 1.081 325 L CA 1.328 56.139 54.840 -0.049 0.000 0.752 325 L CB -0.483 41.535 42.059 -0.068 0.000 0.896 325 L HN -0.050 nan 8.230 nan 0.000 0.433 326 V N -1.052 118.846 119.914 -0.026 0.000 2.287 326 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 326 V C 2.493 178.587 176.094 0.000 0.000 1.053 326 V CA 1.826 64.122 62.300 -0.007 0.000 1.027 326 V CB -0.574 31.265 31.823 0.028 0.000 0.646 326 V HN 0.366 nan 8.190 nan 0.000 0.447 327 V N 0.061 119.979 119.914 0.008 0.000 2.515 327 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 327 V C 2.602 178.698 176.094 0.004 0.000 1.058 327 V CA 1.634 63.940 62.300 0.010 0.000 1.064 327 V CB -0.940 30.887 31.823 0.007 0.000 0.675 327 V HN 0.550 nan 8.190 nan 0.000 0.461 328 A N -0.008 122.810 122.820 -0.003 0.000 1.898 328 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 328 A C 2.375 179.962 177.584 0.006 0.000 1.181 328 A CA 1.909 53.951 52.037 0.009 0.000 0.620 328 A CB -0.608 18.390 19.000 -0.004 0.000 0.819 328 A HN 0.329 nan 8.150 nan 0.000 0.442 329 V N 0.538 120.430 119.914 -0.036 0.000 2.343 329 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 329 V C 2.416 178.505 176.094 -0.008 0.000 1.051 329 V CA 1.994 64.253 62.300 -0.068 0.000 1.036 329 V CB -0.761 30.995 31.823 -0.111 0.000 0.654 329 V HN 0.569 nan 8.190 nan 0.000 0.451 330 I N -0.774 119.790 120.570 -0.010 0.000 2.179 330 I HA -0.337 3.832 4.170 -0.000 0.000 0.242 330 I C 2.527 178.703 176.117 0.100 0.000 1.088 330 I CA 2.128 63.431 61.300 0.005 0.000 1.357 330 I CB -0.380 37.594 38.000 -0.044 0.000 1.051 330 I HN 0.313 nan 8.210 nan 0.000 0.409 331 M N 0.819 120.467 119.600 0.081 0.000 2.065 331 M HA -0.241 4.239 4.480 -0.000 0.000 0.259 331 M C 2.493 178.905 176.300 0.187 0.000 1.069 331 M CA 2.355 57.721 55.300 0.111 0.000 1.110 331 M CB -0.168 32.483 32.600 0.084 0.000 1.328 331 M HN 0.297 nan 8.290 nan 0.000 0.405 332 A N -1.068 121.880 122.820 0.214 0.000 1.908 332 A HA -0.274 4.045 4.320 -0.000 0.000 0.218 332 A C 1.773 179.561 177.584 0.340 0.000 1.181 332 A CA 2.267 54.532 52.037 0.381 0.000 0.627 332 A CB -1.264 17.874 19.000 0.231 0.000 0.818 332 A HN 0.780 nan 8.150 nan 0.000 0.445 333 H N -0.286 118.843 119.070 0.098 0.000 2.290 333 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 333 H C 2.050 177.442 175.328 0.107 0.000 1.087 333 H CA 2.094 58.175 56.048 0.055 0.000 1.291 333 H CB 0.061 29.819 29.762 -0.006 0.000 1.369 333 H HN 0.372 nan 8.280 nan 0.000 0.492 334 E N 0.274 120.654 120.200 0.300 0.000 2.085 334 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 334 E C 2.423 179.135 176.600 0.187 0.000 0.994 334 E CA 1.235 57.803 56.400 0.279 0.000 0.801 334 E CB -0.365 29.460 29.700 0.207 0.000 0.743 334 E HN 0.617 nan 8.360 nan 0.000 0.453 335 M N -0.096 119.612 119.600 0.180 0.000 2.213 335 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 335 M C 2.199 178.569 176.300 0.116 0.000 1.062 335 M CA 1.423 56.805 55.300 0.136 0.000 1.105 335 M CB -0.419 32.251 32.600 0.116 0.000 1.385 335 M HN 0.151 nan 8.290 nan 0.000 0.417 336 G N -0.591 108.306 108.800 0.163 0.000 2.446 336 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 336 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 336 G C 1.223 176.037 174.900 -0.144 0.000 1.168 336 G CA 0.830 45.947 45.100 0.027 0.000 0.771 336 G HN 0.434 nan 8.290 nan 0.000 0.551 337 H N 0.566 119.581 119.070 -0.091 0.000 2.387 337 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 337 H C 2.530 177.753 175.328 -0.175 0.000 1.099 337 H CA 1.341 57.310 56.048 -0.130 0.000 1.315 337 H CB -0.316 29.399 29.762 -0.078 0.000 1.380 337 H HN 0.463 nan 8.280 nan 0.000 0.513 338 N N 0.372 119.068 118.700 -0.006 0.000 2.244 338 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 338 N C 0.942 176.252 175.510 -0.333 0.000 1.016 338 N CA 0.150 53.149 53.050 -0.086 0.000 0.866 338 N CB 0.070 38.560 38.487 0.006 0.000 0.980 338 N HN 0.184 nan 8.380 nan 0.000 0.430 339 L N 0.396 121.402 121.223 -0.361 0.000 2.737 339 L HA 0.203 4.543 4.340 -0.000 0.000 0.236 339 L C 1.054 177.370 176.870 -0.923 0.000 1.219 339 L CA -0.247 54.256 54.840 -0.562 0.000 1.021 339 L CB -0.206 41.689 42.059 -0.272 0.000 1.291 339 L HN 0.195 nan 8.230 nan 0.000 0.470 340 G N 0.613 108.793 108.800 -1.032 0.000 2.166 340 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 340 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 340 G C 0.305 175.028 174.900 -0.296 0.000 0.986 340 G CA 0.089 44.735 45.100 -0.756 0.000 0.683 340 G HN 0.383 nan 8.290 nan 0.000 0.527 341 I N 0.634 121.052 120.570 -0.253 0.000 2.472 341 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 341 I C 0.496 176.545 176.117 -0.114 0.000 1.016 341 I CA -0.819 60.388 61.300 -0.155 0.000 1.348 341 I CB 0.893 38.783 38.000 -0.184 0.000 1.417 341 I HN 0.038 nan 8.210 nan 0.000 0.521 342 N N 2.659 121.335 118.700 -0.040 0.000 2.906 342 N HA 0.414 5.154 4.740 -0.000 0.000 0.327 342 N C -0.661 174.906 175.510 0.095 0.000 1.344 342 N CA -0.787 52.265 53.050 0.004 0.000 0.823 342 N CB 0.755 39.257 38.487 0.024 0.000 1.351 342 N HN 0.527 nan 8.380 nan 0.000 0.604 343 H N -0.072 119.045 119.070 0.078 0.000 2.615 343 H HA 0.106 4.662 4.556 -0.000 0.000 0.363 343 H C -0.453 174.924 175.328 0.082 0.000 1.148 343 H CA -0.372 55.730 56.048 0.091 0.000 1.401 343 H CB 0.808 30.655 29.762 0.141 0.000 1.461 343 H HN 0.304 nan 8.280 nan 0.000 0.588 344 D N 1.295 121.815 120.400 0.201 0.000 2.345 344 D HA 0.112 4.752 4.640 -0.000 0.000 0.247 344 D C -0.055 176.314 176.300 0.115 0.000 1.108 344 D CA 0.156 54.238 54.000 0.136 0.000 0.894 344 D CB 1.402 42.261 40.800 0.098 0.000 1.203 344 D HN 0.563 nan 8.370 nan 0.000 0.430 345 S N -0.401 115.361 115.700 0.102 0.000 2.607 345 S HA 0.734 5.203 4.470 -0.000 0.000 0.273 345 S C 0.537 175.179 174.600 0.070 0.000 1.148 345 S CA -0.163 58.084 58.200 0.079 0.000 0.833 345 S CB 1.900 65.157 63.200 0.094 0.000 1.130 345 S HN 0.697 nan 8.310 nan 0.000 0.470 346 G N 1.059 109.883 108.800 0.039 0.000 2.614 346 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.303 346 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.303 346 G C -0.033 174.833 174.900 -0.056 0.000 1.270 346 G CA 0.834 45.959 45.100 0.042 0.000 0.988 346 G HN 1.141 nan 8.290 nan 0.000 0.551 347 Y N 1.174 121.505 120.300 0.051 0.000 2.547 347 Y HA 0.348 4.898 4.550 -0.000 0.000 0.325 347 Y C 1.945 177.881 175.900 0.060 0.000 1.165 347 Y CA -0.512 57.617 58.100 0.048 0.000 1.300 347 Y CB -0.570 37.916 38.460 0.043 0.000 1.126 347 Y HN 0.533 nan 8.280 nan 0.000 0.513 348 c N 0.640 119.325 118.600 0.142 0.000 2.648 348 c HA 0.374 4.944 4.570 -0.000 0.000 0.419 348 c C 0.987 175.134 174.090 0.096 0.000 1.352 348 c CA -0.012 56.398 56.329 0.134 0.000 1.816 348 c CB -0.436 42.149 42.510 0.125 0.000 2.598 348 c HN 0.490 nan 8.230 nan 0.000 0.598 349 S N 0.701 116.459 115.700 0.097 0.000 2.595 349 S HA 0.703 5.173 4.470 -0.000 0.000 0.281 349 S C -0.145 174.480 174.600 0.042 0.000 1.117 349 S CA -0.471 57.766 58.200 0.060 0.000 0.873 349 S CB 1.257 64.491 63.200 0.056 0.000 1.108 349 S HN 1.093 nan 8.310 nan 0.000 0.477 350 c N 0.864 119.476 118.600 0.019 0.000 3.463 350 c HA 0.781 5.351 4.570 -0.000 0.000 0.283 350 c C 0.918 174.990 174.090 -0.029 0.000 2.452 350 c CA -0.059 56.253 56.329 -0.028 0.000 1.624 350 c CB -1.165 41.370 42.510 0.041 0.000 3.368 350 c HN 1.693 nan 8.230 nan 0.000 0.407 351 G N 2.235 111.005 108.800 -0.049 0.000 2.660 351 G HA2 0.043 4.003 3.960 -0.000 0.000 0.247 351 G HA3 0.043 4.003 3.960 -0.000 0.000 0.247 351 G C -0.368 174.424 174.900 -0.179 0.000 1.328 351 G CA 0.216 45.248 45.100 -0.113 0.000 0.884 351 G HN 1.050 nan 8.290 nan 0.000 0.531 352 D N -0.158 119.980 120.400 -0.435 0.000 2.856 352 D HA 0.397 5.037 4.640 -0.000 0.000 0.242 352 D C -0.069 175.954 176.300 -0.461 0.000 1.226 352 D CA 0.113 53.877 54.000 -0.394 0.000 0.855 352 D CB -0.530 40.047 40.800 -0.372 0.000 1.065 352 D HN 0.481 nan 8.370 nan 0.000 0.462 353 Y N -0.233 120.069 120.300 0.003 0.000 2.524 353 Y HA 0.590 5.140 4.550 -0.000 0.000 0.344 353 Y C 0.435 176.350 175.900 0.026 0.000 1.012 353 Y CA -1.979 56.151 58.100 0.050 0.000 1.068 353 Y CB 1.504 40.073 38.460 0.183 0.000 1.249 353 Y HN 0.068 nan 8.280 nan 0.000 0.468 354 A N 1.652 124.580 122.820 0.180 0.000 2.444 354 A HA 0.342 4.662 4.320 -0.000 0.000 0.287 354 A C -0.192 177.423 177.584 0.053 0.000 1.195 354 A CA -0.516 51.563 52.037 0.070 0.000 0.858 354 A CB -1.285 17.731 19.000 0.027 0.000 1.117 354 A HN 0.830 nan 8.150 nan 0.000 0.521 355 c N 2.884 121.510 118.600 0.042 0.000 2.657 355 c HA 0.146 4.716 4.570 -0.000 0.000 0.404 355 c C 2.179 176.222 174.090 -0.079 0.000 1.291 355 c CA -0.854 55.479 56.329 0.007 0.000 2.218 355 c CB -0.278 42.261 42.510 0.048 0.000 2.687 355 c HN 0.776 nan 8.230 nan 0.000 0.634 356 I N 1.439 121.875 120.570 -0.223 0.000 2.118 356 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 356 I C 2.005 178.092 176.117 -0.049 0.000 1.070 356 I CA 1.930 63.033 61.300 -0.328 0.000 1.327 356 I CB -0.825 36.559 38.000 -1.027 0.000 1.034 356 I HN 0.606 nan 8.210 nan 0.000 0.405 357 M N 1.032 120.640 119.600 0.012 0.000 2.686 357 M HA 0.075 4.555 4.480 -0.000 0.000 0.216 357 M C 0.583 176.936 176.300 0.088 0.000 1.221 357 M CA 0.085 55.443 55.300 0.096 0.000 0.992 357 M CB -1.338 31.323 32.600 0.101 0.000 1.739 357 M HN 0.076 nan 8.290 nan 0.000 0.461 358 R N 1.637 122.148 120.500 0.018 0.000 2.643 358 R HA 0.063 4.402 4.340 -0.000 0.000 0.270 358 R C -1.098 175.070 176.300 -0.221 0.000 1.061 358 R CA -1.054 55.012 56.100 -0.057 0.000 1.107 358 R CB 0.126 30.390 30.300 -0.061 0.000 0.999 358 R HN 0.062 nan 8.270 nan 0.000 0.460 359 P HA -0.187 nan 4.420 nan 0.000 0.220 359 P C -0.481 176.608 177.300 -0.351 0.000 1.144 359 P CA 1.623 64.431 63.100 -0.486 0.000 0.800 359 P CB 0.261 31.906 31.700 -0.092 0.000 0.772 360 E N -0.851 119.200 120.200 -0.249 0.000 2.321 360 E HA 0.322 4.672 4.350 -0.000 0.000 0.278 360 E C -0.665 175.814 176.600 -0.201 0.000 0.902 360 E CA -1.345 54.921 56.400 -0.224 0.000 0.758 360 E CB 1.651 31.268 29.700 -0.138 0.000 1.213 360 E HN -0.061 nan 8.360 nan 0.000 0.426 361 I N 2.595 123.026 120.570 -0.231 0.000 2.752 361 I HA -0.062 4.108 4.170 -0.000 0.000 0.289 361 I C 0.336 176.401 176.117 -0.086 0.000 1.197 361 I CA 0.316 61.514 61.300 -0.170 0.000 1.432 361 I CB 0.461 38.351 38.000 -0.183 0.000 1.359 361 I HN 0.698 nan 8.210 nan 0.000 0.571 362 S N 8.135 123.797 115.700 -0.062 0.000 2.652 362 S HA 0.483 4.952 4.470 -0.000 0.000 0.270 362 S C -1.533 173.063 174.600 -0.008 0.000 1.243 362 S CA -1.052 57.130 58.200 -0.029 0.000 0.999 362 S CB 1.313 64.498 63.200 -0.024 0.000 0.973 362 S HN 0.626 nan 8.310 nan 0.000 0.544 363 P HA 0.117 nan 4.420 nan 0.000 0.245 363 P C 0.045 177.345 177.300 -0.001 0.000 1.206 363 P CA 0.651 63.755 63.100 0.007 0.000 0.781 363 P CB 0.075 31.777 31.700 0.005 0.000 0.994 364 E N 0.906 121.105 120.200 -0.001 0.000 3.896 364 E HA 0.292 4.642 4.350 -0.000 0.000 0.217 364 E C -2.319 174.281 176.600 0.000 0.000 1.150 364 E CA -2.319 54.084 56.400 0.005 0.000 1.338 364 E CB 0.383 30.095 29.700 0.019 0.000 1.242 364 E HN 0.107 nan 8.360 nan 0.000 0.435 365 P HA -0.051 nan 4.420 nan 0.000 0.265 365 P C -0.705 176.539 177.300 -0.093 0.000 1.187 365 P CA 0.230 63.294 63.100 -0.060 0.000 0.766 365 P CB 0.994 32.651 31.700 -0.072 0.000 0.820 366 S N -0.307 115.311 115.700 -0.137 0.000 2.634 366 S HA 0.481 4.951 4.470 -0.000 0.000 0.296 366 S C 0.718 175.062 174.600 -0.426 0.000 1.104 366 S CA -0.156 57.881 58.200 -0.271 0.000 0.920 366 S CB 1.146 64.270 63.200 -0.125 0.000 1.111 366 S HN 0.445 nan 8.310 nan 0.000 0.493 367 T N -0.844 113.260 114.554 -0.749 0.000 3.169 367 T HA 0.332 4.682 4.350 -0.000 0.000 0.250 367 T C -0.134 174.136 174.700 -0.716 0.000 1.111 367 T CA -0.240 61.443 62.100 -0.695 0.000 1.010 367 T CB -0.962 67.507 68.868 -0.664 0.000 0.984 367 T HN 0.493 nan 8.240 nan 0.000 0.537 368 F N 1.077 120.843 119.950 -0.307 0.000 2.394 368 F HA 0.593 5.119 4.527 -0.000 0.000 0.340 368 F C 0.124 175.747 175.800 -0.295 0.000 1.105 368 F CA -1.843 55.975 58.000 -0.305 0.000 1.124 368 F CB 0.665 39.486 39.000 -0.299 0.000 1.145 368 F HN -0.056 nan 8.300 nan 0.000 0.505 369 F N 1.369 121.316 119.950 -0.005 0.000 2.399 369 F HA 0.329 4.856 4.527 -0.000 0.000 0.334 369 F C 0.756 176.588 175.800 0.054 0.000 1.097 369 F CA -0.725 57.304 58.000 0.049 0.000 1.076 369 F CB 1.420 40.529 39.000 0.181 0.000 1.162 369 F HN 0.505 nan 8.300 nan 0.000 0.495 370 S N 2.608 118.491 115.700 0.305 0.000 2.596 370 S HA 0.026 4.496 4.470 -0.000 0.000 0.260 370 S C 1.142 175.880 174.600 0.230 0.000 1.336 370 S CA -0.296 58.020 58.200 0.193 0.000 0.993 370 S CB 0.531 63.828 63.200 0.162 0.000 0.923 370 S HN 0.714 nan 8.310 nan 0.000 0.567 371 N N 0.540 119.318 118.700 0.129 0.000 2.244 371 N HA -0.106 4.633 4.740 -0.000 0.000 0.183 371 N C 1.672 177.162 175.510 -0.034 0.000 1.016 371 N CA 1.406 54.456 53.050 0.001 0.000 0.866 371 N CB -1.673 36.809 38.487 -0.009 0.000 0.980 371 N HN 0.597 nan 8.380 nan 0.000 0.430 372 c N 0.756 119.441 118.600 0.140 0.000 2.436 372 c HA 0.010 4.580 4.570 -0.000 0.000 0.277 372 c C 3.074 177.273 174.090 0.181 0.000 1.241 372 c CA 1.018 57.475 56.329 0.214 0.000 1.721 372 c CB -1.273 41.354 42.510 0.195 0.000 2.043 372 c HN 0.497 nan 8.230 nan 0.000 0.472 373 S N -0.279 115.521 115.700 0.166 0.000 2.372 373 S HA -0.266 4.204 4.470 -0.000 0.000 0.227 373 S C 1.562 176.173 174.600 0.018 0.000 1.044 373 S CA 2.106 60.368 58.200 0.103 0.000 1.050 373 S CB -0.711 62.621 63.200 0.219 0.000 0.901 373 S HN 0.693 nan 8.310 nan 0.000 0.447 374 Y N 1.501 121.755 120.300 -0.076 0.000 2.030 374 Y HA -0.244 4.306 4.550 -0.000 0.000 0.274 374 Y C 1.947 177.890 175.900 0.071 0.000 1.153 374 Y CA 1.629 59.655 58.100 -0.124 0.000 1.115 374 Y CB -0.813 37.460 38.460 -0.313 0.000 0.969 374 Y HN 0.271 nan 8.280 nan 0.000 0.488 375 F N 0.384 120.490 119.950 0.260 0.000 2.091 375 F HA -0.267 4.259 4.527 -0.000 0.000 0.299 375 F C 2.498 178.342 175.800 0.074 0.000 1.103 375 F CA 1.495 59.593 58.000 0.163 0.000 1.228 375 F CB -0.376 38.737 39.000 0.190 0.000 0.984 375 F HN 0.160 nan 8.300 nan 0.000 0.477 376 E N -0.538 119.804 120.200 0.237 0.000 2.106 376 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 376 E C 2.242 178.864 176.600 0.037 0.000 0.984 376 E CA 1.215 57.691 56.400 0.127 0.000 0.806 376 E CB -0.418 29.333 29.700 0.085 0.000 0.750 376 E HN 0.476 nan 8.360 nan 0.000 0.458 377 C N -0.005 119.235 119.300 -0.099 0.000 2.413 377 C HA -0.160 4.299 4.460 -0.000 0.000 0.276 377 C C 2.216 177.009 174.990 -0.329 0.000 1.236 377 C CA 0.847 59.689 59.018 -0.293 0.000 1.735 377 C CB -1.274 26.149 27.740 -0.529 0.000 2.031 377 C HN 0.582 nan 8.230 nan 0.000 0.474 378 W N 0.472 121.673 121.300 -0.164 0.000 2.584 378 W HA 0.082 4.742 4.660 -0.000 0.000 0.264 378 W C 2.202 178.704 176.519 -0.029 0.000 1.264 378 W CA 1.021 58.280 57.345 -0.143 0.000 1.306 378 W CB -0.453 28.837 29.460 -0.283 0.000 1.110 378 W HN 0.429 nan 8.180 nan 0.000 0.606 379 D N -0.324 120.195 120.400 0.198 0.000 2.178 379 D HA -0.243 4.397 4.640 -0.000 0.000 0.202 379 D C 1.822 178.223 176.300 0.168 0.000 0.974 379 D CA 1.109 55.209 54.000 0.167 0.000 0.841 379 D CB -0.279 40.614 40.800 0.156 0.000 0.953 379 D HN 0.095 nan 8.370 nan 0.000 0.478 380 F N 0.618 120.566 119.950 -0.003 0.000 2.128 380 F HA 0.071 4.598 4.527 -0.000 0.000 0.295 380 F C 1.970 177.773 175.800 0.004 0.000 1.100 380 F CA 1.075 59.048 58.000 -0.046 0.000 1.260 380 F CB -0.251 38.648 39.000 -0.168 0.000 1.009 380 F HN -0.052 nan 8.300 nan 0.000 0.476 381 I N -0.150 120.390 120.570 -0.050 0.000 2.226 381 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 381 I C 2.301 178.393 176.117 -0.042 0.000 1.100 381 I CA 1.058 62.294 61.300 -0.108 0.000 1.374 381 I CB -0.443 37.494 38.000 -0.106 0.000 1.057 381 I HN 0.204 nan 8.210 nan 0.000 0.413 382 M N 0.190 119.823 119.600 0.056 0.000 2.098 382 M HA -0.135 4.344 4.480 -0.000 0.000 0.262 382 M C 2.007 178.297 176.300 -0.016 0.000 1.072 382 M CA 1.864 57.191 55.300 0.044 0.000 1.133 382 M CB -1.705 30.939 32.600 0.073 0.000 1.344 382 M HN 0.199 nan 8.290 nan 0.000 0.414 383 N N -0.288 118.409 118.700 -0.004 0.000 2.022 383 N HA -0.091 4.648 4.740 -0.000 0.000 0.195 383 N C 0.621 176.051 175.510 -0.134 0.000 1.063 383 N CA 1.141 54.168 53.050 -0.039 0.000 0.851 383 N CB -0.569 37.946 38.487 0.047 0.000 1.050 383 N HN 0.348 nan 8.380 nan 0.000 0.425 384 H N -0.690 118.196 119.070 -0.306 0.000 2.598 384 H HA 0.273 4.829 4.556 -0.000 0.000 0.371 384 H C -0.142 174.970 175.328 -0.361 0.000 1.468 384 H CA 0.025 55.842 56.048 -0.385 0.000 1.454 384 H CB 0.253 29.585 29.762 -0.717 0.000 1.579 384 H HN 0.181 nan 8.280 nan 0.000 0.611 385 N N 0.391 118.997 118.700 -0.157 0.000 2.609 385 N HA 0.192 4.932 4.740 -0.000 0.000 0.268 385 N C -2.647 172.816 175.510 -0.078 0.000 1.106 385 N CA -1.465 51.517 53.050 -0.113 0.000 0.823 385 N CB 0.910 39.364 38.487 -0.056 0.000 1.263 385 N HN 0.314 nan 8.380 nan 0.000 0.533 386 P HA 0.061 nan 4.420 nan 0.000 0.238 386 P C 0.554 177.871 177.300 0.027 0.000 1.714 386 P CA 0.087 63.197 63.100 0.016 0.000 0.908 386 P CB 0.200 31.938 31.700 0.064 0.000 1.893 387 E N 0.735 120.944 120.200 0.016 0.000 2.217 387 E HA -0.321 4.029 4.350 -0.000 0.000 0.219 387 E C 1.488 178.111 176.600 0.038 0.000 1.070 387 E CA 2.238 58.653 56.400 0.025 0.000 0.889 387 E CB -0.925 28.783 29.700 0.014 0.000 0.768 387 E HN 0.493 nan 8.360 nan 0.000 0.465 388 c N 0.442 119.061 118.600 0.032 0.000 2.466 388 c HA 0.048 4.618 4.570 -0.000 0.000 0.283 388 c C 2.112 176.238 174.090 0.061 0.000 1.472 388 c CA 0.189 56.538 56.329 0.033 0.000 1.765 388 c CB -1.700 40.816 42.510 0.009 0.000 1.724 388 c HN 0.562 nan 8.230 nan 0.000 0.560 389 I N -2.469 118.149 120.570 0.080 0.000 3.891 389 I HA 0.296 4.466 4.170 -0.000 0.000 0.331 389 I C 1.515 177.747 176.117 0.193 0.000 1.406 389 I CA -0.038 61.335 61.300 0.122 0.000 1.139 389 I CB -0.301 37.748 38.000 0.082 0.000 1.056 389 I HN 0.213 nan 8.210 nan 0.000 0.399 390 L N 1.620 122.944 121.223 0.168 0.000 2.102 390 L HA 0.071 4.411 4.340 -0.000 0.000 0.202 390 L C 1.078 178.104 176.870 0.259 0.000 1.076 390 L CA 0.529 55.496 54.840 0.213 0.000 0.761 390 L CB -0.541 41.599 42.059 0.136 0.000 0.921 390 L HN 0.530 nan 8.230 nan 0.000 0.444 391 N N 1.127 119.906 118.700 0.131 0.000 2.458 391 N HA -0.076 4.664 4.740 -0.000 0.000 0.258 391 N C -0.125 175.264 175.510 -0.201 0.000 1.219 391 N CA -0.195 52.860 53.050 0.008 0.000 0.902 391 N CB 0.613 39.087 38.487 -0.022 0.000 1.076 391 N HN 0.147 nan 8.380 nan 0.000 0.455 392 E N 3.150 123.062 120.200 -0.481 0.000 2.180 392 E HA 0.130 4.479 4.350 -0.000 0.000 0.283 392 E C -1.939 174.320 176.600 -0.567 0.000 1.061 392 E CA -2.187 53.510 56.400 -1.172 0.000 0.861 392 E CB 0.607 29.808 29.700 -0.833 0.000 1.056 392 E HN 0.496 nan 8.360 nan 0.000 0.407 393 P HA -0.053 nan 4.420 nan 0.000 0.264 393 P C -0.267 176.937 177.300 -0.160 0.000 1.193 393 P CA 0.288 63.267 63.100 -0.202 0.000 0.763 393 P CB 0.560 32.198 31.700 -0.104 0.000 0.810 394 L N 2.409 123.570 121.223 -0.103 0.000 2.456 394 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 394 L C 2.266 179.096 176.870 -0.066 0.000 1.189 394 L CA 0.129 54.924 54.840 -0.076 0.000 0.846 394 L CB -0.055 41.972 42.059 -0.052 0.000 1.111 394 L HN 0.553 nan 8.230 nan 0.000 0.475 395 G N 0.887 109.650 108.800 -0.061 0.000 2.503 395 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.221 395 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.221 395 G C 1.401 176.272 174.900 -0.049 0.000 1.131 395 G CA 1.323 46.387 45.100 -0.059 0.000 0.756 395 G HN 0.780 nan 8.290 nan 0.000 0.572 396 T N -1.878 112.653 114.554 -0.039 0.000 3.035 396 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 396 T C 1.650 176.334 174.700 -0.028 0.000 1.109 396 T CA 1.316 63.398 62.100 -0.031 0.000 1.119 396 T CB 0.007 68.861 68.868 -0.023 0.000 0.900 396 T HN 0.158 nan 8.240 nan 0.000 0.503 397 D N 1.399 121.781 120.400 -0.029 0.000 2.194 397 D HA 0.129 4.769 4.640 -0.000 0.000 0.204 397 D C 0.777 177.067 176.300 -0.017 0.000 0.964 397 D CA 0.341 54.330 54.000 -0.018 0.000 0.846 397 D CB -0.094 40.695 40.800 -0.018 0.000 0.962 397 D HN 0.471 nan 8.370 nan 0.000 0.490 398 I N 2.806 123.357 120.570 -0.032 0.000 2.581 398 I HA -0.027 4.142 4.170 -0.000 0.000 0.285 398 I C 1.952 178.035 176.117 -0.056 0.000 1.129 398 I CA -0.023 61.254 61.300 -0.040 0.000 1.397 398 I CB 0.709 38.675 38.000 -0.057 0.000 1.399 398 I HN -0.050 nan 8.210 nan 0.000 0.537 399 I N 2.521 123.063 120.570 -0.046 0.000 3.251 399 I HA 0.028 4.198 4.170 -0.000 0.000 0.277 399 I C 1.200 177.213 176.117 -0.174 0.000 1.268 399 I CA -0.059 61.209 61.300 -0.053 0.000 1.449 399 I CB -0.146 37.865 38.000 0.019 0.000 1.083 399 I HN 0.575 nan 8.210 nan 0.000 0.464 400 S N 1.698 117.237 115.700 -0.269 0.000 2.584 400 S HA 0.474 4.944 4.470 -0.000 0.000 0.273 400 S C -2.390 171.928 174.600 -0.470 0.000 1.311 400 S CA -1.243 56.570 58.200 -0.645 0.000 1.034 400 S CB 0.323 63.248 63.200 -0.459 0.000 0.939 400 S HN 0.009 nan 8.310 nan 0.000 0.513 401 P HA 0.192 nan 4.420 nan 0.000 0.264 401 P C -2.200 174.987 177.300 -0.189 0.000 1.193 401 P CA -0.842 62.094 63.100 -0.274 0.000 0.763 401 P CB -0.292 31.280 31.700 -0.214 0.000 0.810 402 P HA -0.062 nan 4.420 nan 0.000 0.264 402 P C -0.785 176.466 177.300 -0.083 0.000 1.183 402 P CA 0.598 63.638 63.100 -0.099 0.000 0.763 402 P CB 0.468 32.122 31.700 -0.078 0.000 0.807 403 V N 4.442 124.310 119.914 -0.078 0.000 2.376 403 V HA 0.101 4.221 4.120 -0.000 0.000 0.287 403 V C 0.470 176.529 176.094 -0.059 0.000 1.015 403 V CA -0.693 61.571 62.300 -0.060 0.000 0.834 403 V CB 1.645 33.435 31.823 -0.054 0.000 1.001 403 V HN 0.806 nan 8.190 nan 0.000 0.428 404 c N 5.401 123.973 118.600 -0.047 0.000 2.555 404 c HA 0.595 5.165 4.570 -0.000 0.000 0.385 404 c C 1.474 175.540 174.090 -0.040 0.000 1.296 404 c CA 1.042 57.344 56.329 -0.045 0.000 1.757 404 c CB -1.206 41.283 42.510 -0.034 0.000 2.445 404 c HN 1.474 nan 8.230 nan 0.000 0.571 405 G N 5.664 114.435 108.800 -0.048 0.000 2.168 405 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.197 405 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.197 405 G C 0.479 175.347 174.900 -0.054 0.000 0.997 405 G CA 0.313 45.389 45.100 -0.041 0.000 0.658 405 G HN 0.979 nan 8.290 nan 0.000 0.513 406 N N 0.974 119.626 118.700 -0.080 0.000 2.322 406 N HA 0.154 4.894 4.740 -0.000 0.000 0.194 406 N C 0.657 176.047 175.510 -0.201 0.000 1.126 406 N CA 0.776 53.762 53.050 -0.106 0.000 0.845 406 N CB -0.084 38.346 38.487 -0.096 0.000 0.976 406 N HN 0.613 nan 8.380 nan 0.000 0.475 407 E N -0.388 119.698 120.200 -0.190 0.000 2.513 407 E HA -0.149 4.201 4.350 -0.000 0.000 0.257 407 E C -1.189 175.181 176.600 -0.384 0.000 1.098 407 E CA 0.378 56.615 56.400 -0.271 0.000 0.752 407 E CB -1.414 28.098 29.700 -0.313 0.000 1.324 407 E HN 0.460 nan 8.360 nan 0.000 0.403 408 L N 1.004 122.083 121.223 -0.241 0.000 2.441 408 L HA 0.362 4.701 4.340 -0.000 0.000 0.270 408 L C -0.497 176.295 176.870 -0.130 0.000 0.973 408 L CA -1.044 53.691 54.840 -0.175 0.000 0.842 408 L CB 1.241 43.205 42.059 -0.158 0.000 1.239 408 L HN -0.009 nan 8.230 nan 0.000 0.406 409 L N 4.244 125.392 121.223 -0.126 0.000 2.485 409 L HA 0.226 4.566 4.340 -0.000 0.000 0.279 409 L C 0.052 176.850 176.870 -0.120 0.000 1.124 409 L CA 0.727 55.474 54.840 -0.155 0.000 0.888 409 L CB 0.020 41.931 42.059 -0.247 0.000 1.217 409 L HN 0.528 nan 8.230 nan 0.000 0.464 410 E N 2.692 122.830 120.200 -0.103 0.000 2.264 410 E HA 0.433 4.783 4.350 -0.000 0.000 0.260 410 E C -0.762 175.796 176.600 -0.069 0.000 0.961 410 E CA -1.268 55.082 56.400 -0.083 0.000 0.834 410 E CB 1.577 31.226 29.700 -0.084 0.000 1.230 410 E HN 0.294 nan 8.360 nan 0.000 0.412 411 V N 1.627 121.507 119.914 -0.057 0.000 2.617 411 V HA 0.142 4.262 4.120 -0.000 0.000 0.304 411 V C 1.347 177.417 176.094 -0.040 0.000 1.040 411 V CA 1.860 64.135 62.300 -0.043 0.000 1.149 411 V CB 0.145 31.945 31.823 -0.037 0.000 0.914 411 V HN 1.063 nan 8.190 nan 0.000 0.487 412 G N 3.618 112.401 108.800 -0.029 0.000 2.195 412 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.246 412 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.246 412 G C -0.029 174.855 174.900 -0.027 0.000 0.984 412 G CA 0.138 45.224 45.100 -0.024 0.000 0.633 412 G HN 0.713 nan 8.290 nan 0.000 0.525 413 E N 0.223 120.400 120.200 -0.038 0.000 2.151 413 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 413 E C 0.539 177.112 176.600 -0.044 0.000 0.936 413 E CA -0.572 55.801 56.400 -0.045 0.000 0.777 413 E CB 1.541 31.201 29.700 -0.066 0.000 1.108 413 E HN 0.436 nan 8.360 nan 0.000 0.401 414 E N 0.904 121.089 120.200 -0.025 0.000 2.158 414 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 414 E C 0.571 177.155 176.600 -0.027 0.000 0.982 414 E CA 0.766 57.166 56.400 -0.001 0.000 0.823 414 E CB 0.079 29.789 29.700 0.017 0.000 0.766 414 E HN 0.600 nan 8.360 nan 0.000 0.468 415 c N -1.588 116.980 118.600 -0.053 0.000 3.312 415 c HA 0.579 5.149 4.570 -0.000 0.000 0.332 415 c C -1.771 172.276 174.090 -0.071 0.000 1.340 415 c CA -1.308 54.974 56.329 -0.077 0.000 1.265 415 c CB 1.977 44.484 42.510 -0.005 0.000 1.563 415 c HN 0.054 nan 8.230 nan 0.000 0.471 416 D N 0.639 120.992 120.400 -0.077 0.000 2.375 416 D HA 0.355 4.995 4.640 -0.000 0.000 0.241 416 D C -0.059 176.213 176.300 -0.046 0.000 1.361 416 D CA -0.068 53.892 54.000 -0.066 0.000 0.995 416 D CB 1.507 42.250 40.800 -0.095 0.000 1.312 416 D HN 1.102 nan 8.370 nan 0.000 0.576 417 c N 2.556 121.143 118.600 -0.021 0.000 2.469 417 c HA 0.819 5.389 4.570 -0.000 0.000 0.298 417 c C 1.172 175.263 174.090 0.001 0.000 1.436 417 c CA 0.196 56.526 56.329 0.002 0.000 1.783 417 c CB -1.033 41.491 42.510 0.023 0.000 2.726 417 c HN 0.753 nan 8.230 nan 0.000 0.541 418 G N 2.160 110.947 108.800 -0.022 0.000 2.598 418 G HA2 0.002 3.962 3.960 -0.000 0.000 0.244 418 G HA3 0.002 3.962 3.960 -0.000 0.000 0.244 418 G C -0.061 174.836 174.900 -0.005 0.000 1.302 418 G CA 0.141 45.233 45.100 -0.014 0.000 0.903 418 G HN 1.540 nan 8.290 nan 0.000 0.575 419 T N -0.263 114.293 114.554 0.005 0.000 2.868 419 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 419 T C -0.578 174.130 174.700 0.013 0.000 1.028 419 T CA -0.275 61.829 62.100 0.006 0.000 1.059 419 T CB 1.764 70.638 68.868 0.010 0.000 0.991 419 T HN 0.598 nan 8.240 nan 0.000 0.531 420 P HA -0.093 nan 4.420 nan 0.000 0.223 420 P C 0.786 178.098 177.300 0.020 0.000 1.144 420 P CA 1.051 64.160 63.100 0.014 0.000 0.783 420 P CB 0.193 31.900 31.700 0.011 0.000 0.771 421 E N -0.281 119.933 120.200 0.022 0.000 2.076 421 E HA -0.039 4.310 4.350 -0.000 0.000 0.190 421 E C 1.891 178.512 176.600 0.036 0.000 0.979 421 E CA 0.853 57.270 56.400 0.028 0.000 0.807 421 E CB -0.594 29.123 29.700 0.028 0.000 0.761 421 E HN 0.260 nan 8.360 nan 0.000 0.454 422 N N -0.278 118.445 118.700 0.039 0.000 2.424 422 N HA -0.029 4.711 4.740 -0.000 0.000 0.178 422 N C 0.051 175.592 175.510 0.051 0.000 1.060 422 N CA 0.093 53.173 53.050 0.051 0.000 0.901 422 N CB -0.074 38.447 38.487 0.057 0.000 0.979 422 N HN 0.123 nan 8.380 nan 0.000 0.451 423 c N 2.661 121.285 118.600 0.040 0.000 2.517 423 c HA -0.009 4.561 4.570 -0.000 0.000 0.403 423 c C 1.374 175.492 174.090 0.048 0.000 1.467 423 c CA 0.184 56.538 56.329 0.040 0.000 1.542 423 c CB -0.387 42.140 42.510 0.029 0.000 2.482 423 c HN 0.340 nan 8.230 nan 0.000 0.610 424 Q N 3.439 123.275 119.800 0.059 0.000 2.171 424 Q HA 0.172 4.512 4.340 -0.000 0.000 0.218 424 Q C 0.100 176.137 176.000 0.063 0.000 0.822 424 Q CA 0.180 56.022 55.803 0.064 0.000 0.987 424 Q CB -0.049 28.738 28.738 0.082 0.000 1.144 424 Q HN 0.882 nan 8.270 nan 0.000 0.494 425 N N 1.150 119.884 118.700 0.057 0.000 2.426 425 N HA 0.082 4.822 4.740 -0.000 0.000 0.275 425 N C 0.159 175.694 175.510 0.042 0.000 1.019 425 N CA 0.060 53.144 53.050 0.056 0.000 0.941 425 N CB 0.857 39.380 38.487 0.060 0.000 1.123 425 N HN -0.044 nan 8.380 nan 0.000 0.486 426 E N 2.252 122.476 120.200 0.039 0.000 2.465 426 E HA 0.053 4.403 4.350 -0.000 0.000 0.191 426 E C 0.401 177.014 176.600 0.022 0.000 1.053 426 E CA 0.041 56.458 56.400 0.028 0.000 0.869 426 E CB 0.216 29.931 29.700 0.026 0.000 0.977 426 E HN 0.647 nan 8.360 nan 0.000 0.483 427 c N -0.140 118.476 118.600 0.028 0.000 3.065 427 c HA 0.257 4.826 4.570 -0.000 0.000 0.285 427 c C 1.165 175.268 174.090 0.021 0.000 1.257 427 c CA -0.848 55.494 56.329 0.021 0.000 1.691 427 c CB -0.570 41.958 42.510 0.029 0.000 2.089 427 c HN 0.408 nan 8.230 nan 0.000 0.630 428 c N 1.678 120.292 118.600 0.025 0.000 2.401 428 c HA 0.587 5.156 4.570 -0.000 0.000 0.356 428 c C -0.592 173.505 174.090 0.012 0.000 1.192 428 c CA -0.127 56.213 56.329 0.018 0.000 2.028 428 c CB 0.914 43.435 42.510 0.019 0.000 2.344 428 c HN 0.540 nan 8.230 nan 0.000 0.525 429 D N 1.544 121.948 120.400 0.006 0.000 2.485 429 D HA 0.396 5.036 4.640 -0.000 0.000 0.256 429 D C 0.924 177.225 176.300 0.001 0.000 1.141 429 D CA 0.209 54.212 54.000 0.004 0.000 0.942 429 D CB 0.911 41.712 40.800 0.001 0.000 1.003 429 D HN 0.686 nan 8.370 nan 0.000 0.507 430 A N 3.258 126.080 122.820 0.004 0.000 2.038 430 A HA -0.254 4.066 4.320 -0.000 0.000 0.224 430 A C 2.116 179.698 177.584 -0.004 0.000 1.190 430 A CA 2.390 54.427 52.037 0.001 0.000 0.668 430 A CB -0.520 18.484 19.000 0.007 0.000 0.820 430 A HN 0.606 nan 8.150 nan 0.000 0.474 431 A N -1.317 121.502 122.820 -0.002 0.000 1.897 431 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 431 A C 2.294 179.873 177.584 -0.007 0.000 1.181 431 A CA 2.253 54.287 52.037 -0.004 0.000 0.620 431 A CB -0.789 18.210 19.000 -0.001 0.000 0.821 431 A HN 0.926 nan 8.150 nan 0.000 0.443 432 T N -6.952 107.598 114.554 -0.007 0.000 3.023 432 T HA 0.176 4.526 4.350 -0.000 0.000 0.253 432 T C 0.609 175.301 174.700 -0.013 0.000 1.038 432 T CA 0.548 62.642 62.100 -0.009 0.000 0.962 432 T CB -0.684 68.180 68.868 -0.006 0.000 1.018 432 T HN 0.746 nan 8.240 nan 0.000 0.521 433 c N 1.942 120.533 118.600 -0.015 0.000 4.497 433 c HA -0.076 4.494 4.570 -0.000 0.000 0.292 433 c C -0.053 174.028 174.090 -0.015 0.000 1.366 433 c CA 0.277 56.593 56.329 -0.021 0.000 1.987 433 c CB -2.099 40.392 42.510 -0.031 0.000 1.241 433 c HN 0.525 nan 8.230 nan 0.000 0.788 434 K N 0.200 120.596 120.400 -0.007 0.000 2.345 434 K HA 0.625 4.945 4.320 -0.000 0.000 0.255 434 K C 0.003 176.604 176.600 0.003 0.000 0.934 434 K CA -0.492 55.793 56.287 -0.002 0.000 0.801 434 K CB 1.368 33.866 32.500 -0.002 0.000 1.137 434 K HN 0.368 nan 8.250 nan 0.000 0.424 435 L N 3.679 124.907 121.223 0.009 0.000 2.525 435 L HA -0.015 4.325 4.340 -0.000 0.000 0.278 435 L C 1.267 178.137 176.870 0.000 0.000 1.218 435 L CA 0.234 55.079 54.840 0.009 0.000 0.878 435 L CB 0.055 42.121 42.059 0.012 0.000 1.127 435 L HN 0.427 nan 8.230 nan 0.000 0.492 436 K N 1.943 122.342 120.400 -0.001 0.000 2.258 436 K HA 0.198 4.518 4.320 -0.000 0.000 0.264 436 K C -0.084 176.509 176.600 -0.012 0.000 1.007 436 K CA -0.629 55.655 56.287 -0.005 0.000 0.941 436 K CB 0.352 32.851 32.500 -0.002 0.000 0.966 436 K HN 0.404 nan 8.250 nan 0.000 0.480 437 S N 0.510 116.204 115.700 -0.011 0.000 2.563 437 S HA 0.190 4.660 4.470 -0.000 0.000 0.294 437 S C 1.283 175.870 174.600 -0.022 0.000 1.279 437 S CA 0.738 58.928 58.200 -0.016 0.000 1.069 437 S CB 0.073 63.266 63.200 -0.011 0.000 0.828 437 S HN 0.958 nan 8.310 nan 0.000 0.497 438 G N 2.378 111.158 108.800 -0.032 0.000 2.308 438 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.221 438 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.221 438 G C 0.238 175.099 174.900 -0.065 0.000 1.032 438 G CA -0.029 45.046 45.100 -0.042 0.000 0.623 438 G HN 1.248 nan 8.290 nan 0.000 0.506 439 S N 0.313 115.975 115.700 -0.063 0.000 2.584 439 S HA 0.648 5.118 4.470 -0.000 0.000 0.273 439 S C 0.804 175.318 174.600 -0.144 0.000 1.311 439 S CA 0.443 58.590 58.200 -0.088 0.000 1.034 439 S CB 1.978 65.148 63.200 -0.050 0.000 0.939 439 S HN 0.478 nan 8.310 nan 0.000 0.513 440 Q N 0.008 119.656 119.800 -0.254 0.000 2.373 440 Q HA 0.213 4.553 4.340 -0.000 0.000 0.210 440 Q C 0.385 176.192 176.000 -0.322 0.000 0.913 440 Q CA 0.485 56.012 55.803 -0.460 0.000 0.911 440 Q CB 0.467 28.590 28.738 -1.024 0.000 1.040 440 Q HN 0.964 nan 8.270 nan 0.000 0.521 441 c N -4.809 113.696 118.600 -0.158 0.000 3.320 441 c HA 0.860 5.430 4.570 -0.000 0.000 0.335 441 c C 0.669 174.799 174.090 0.066 0.000 1.430 441 c CA -0.384 55.958 56.329 0.021 0.000 1.271 441 c CB 1.100 43.661 42.510 0.085 0.000 1.609 441 c HN 0.233 nan 8.230 nan 0.000 0.457 442 G N -0.199 108.708 108.800 0.180 0.000 4.000 442 G HA2 0.532 4.492 3.960 -0.000 0.000 0.260 442 G HA3 0.532 4.492 3.960 -0.000 0.000 0.260 442 G C -0.191 174.869 174.900 0.266 0.000 1.047 442 G CA 0.639 45.847 45.100 0.179 0.000 0.860 442 G HN 1.467 nan 8.290 nan 0.000 0.464 443 H N -1.587 117.525 119.070 0.070 0.000 2.967 443 H HA 0.602 5.158 4.556 -0.000 0.000 0.318 443 H C -0.045 175.334 175.328 0.086 0.000 1.375 443 H CA -0.746 55.348 56.048 0.077 0.000 1.132 443 H CB 1.273 31.076 29.762 0.068 0.000 1.848 443 H HN 1.265 nan 8.280 nan 0.000 0.524 444 G N 0.887 109.664 108.800 -0.039 0.000 2.770 444 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.686 444 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.686 444 G C -0.146 174.750 174.900 -0.005 0.000 1.180 444 G CA -0.081 44.962 45.100 -0.095 0.000 0.767 444 G HN 0.637 nan 8.290 nan 0.000 0.646 445 D N -0.128 120.278 120.400 0.010 0.000 2.403 445 D HA -0.042 4.597 4.640 -0.000 0.000 0.227 445 D C 1.570 177.881 176.300 0.019 0.000 0.995 445 D CA 1.346 55.362 54.000 0.025 0.000 0.928 445 D CB 0.114 40.927 40.800 0.022 0.000 0.887 445 D HN 0.403 nan 8.370 nan 0.000 0.529 446 c N 0.417 119.020 118.600 0.005 0.000 2.863 446 c HA 0.265 4.835 4.570 -0.000 0.000 0.284 446 c C 0.662 174.795 174.090 0.073 0.000 1.426 446 c CA -0.947 55.396 56.329 0.023 0.000 1.782 446 c CB -0.560 41.940 42.510 -0.018 0.000 2.554 446 c HN 0.307 nan 8.230 nan 0.000 0.566 447 c N 2.453 121.090 118.600 0.062 0.000 2.258 447 c HA 0.491 5.061 4.570 -0.000 0.000 0.321 447 c C -0.201 173.929 174.090 0.067 0.000 1.168 447 c CA -0.136 56.244 56.329 0.085 0.000 1.531 447 c CB -0.975 41.565 42.510 0.050 0.000 2.095 447 c HN 0.659 nan 8.230 nan 0.000 0.449 448 E N 3.621 123.860 120.200 0.066 0.000 2.114 448 E HA 0.263 4.612 4.350 -0.000 0.000 0.266 448 E C -0.419 176.201 176.600 0.034 0.000 0.896 448 E CA -0.078 56.352 56.400 0.049 0.000 0.750 448 E CB 0.518 30.247 29.700 0.049 0.000 1.121 448 E HN 0.691 nan 8.360 nan 0.000 0.413 449 Q N 2.137 121.955 119.800 0.030 0.000 2.478 449 Q HA -0.228 4.112 4.340 -0.000 0.000 0.286 449 Q C 0.120 176.122 176.000 0.003 0.000 1.299 449 Q CA 0.986 56.801 55.803 0.019 0.000 0.826 449 Q CB -2.781 25.966 28.738 0.015 0.000 1.199 449 Q HN 0.957 nan 8.270 nan 0.000 0.451 450 c N -3.106 115.497 118.600 0.004 0.000 4.784 450 c HA -0.224 4.346 4.570 -0.000 0.000 0.261 450 c C 0.780 174.821 174.090 -0.082 0.000 1.492 450 c CA 1.556 57.871 56.329 -0.023 0.000 1.622 450 c CB -1.419 41.076 42.510 -0.025 0.000 1.855 450 c HN 0.467 nan 8.230 nan 0.000 0.662 451 K N -0.571 119.793 120.400 -0.061 0.000 2.340 451 K HA 0.746 5.066 4.320 -0.000 0.000 0.244 451 K C -0.128 176.474 176.600 0.003 0.000 0.973 451 K CA -0.477 55.741 56.287 -0.114 0.000 0.828 451 K CB 0.532 32.995 32.500 -0.062 0.000 1.226 451 K HN 0.237 nan 8.250 nan 0.000 0.437 452 F N 1.152 121.100 119.950 -0.004 0.000 2.572 452 F HA 0.027 4.553 4.527 -0.000 0.000 0.370 452 F C 0.885 176.683 175.800 -0.003 0.000 1.103 452 F CA -0.152 57.842 58.000 -0.009 0.000 1.286 452 F CB 0.739 39.734 39.000 -0.008 0.000 1.105 452 F HN 0.330 nan 8.300 nan 0.000 0.583 453 S N 2.691 118.511 115.700 0.201 0.000 2.572 453 S HA 0.061 4.531 4.470 -0.000 0.000 0.279 453 S C -0.166 174.489 174.600 0.091 0.000 1.341 453 S CA -0.863 57.402 58.200 0.109 0.000 1.043 453 S CB 0.531 63.775 63.200 0.073 0.000 0.887 453 S HN 0.300 nan 8.310 nan 0.000 0.516 454 K N 2.118 122.557 120.400 0.066 0.000 2.530 454 K HA 0.038 4.358 4.320 -0.000 0.000 0.280 454 K C 0.624 177.246 176.600 0.037 0.000 1.004 454 K CA 0.208 56.524 56.287 0.049 0.000 1.071 454 K CB 0.005 32.525 32.500 0.033 0.000 0.876 454 K HN 0.525 nan 8.250 nan 0.000 0.487 455 S N 1.998 117.716 115.700 0.029 0.000 2.554 455 S HA 0.234 4.703 4.470 -0.000 0.000 0.290 455 S C 1.318 175.921 174.600 0.005 0.000 1.309 455 S CA 0.904 59.113 58.200 0.014 0.000 1.047 455 S CB -0.253 62.952 63.200 0.007 0.000 0.828 455 S HN 1.018 nan 8.310 nan 0.000 0.509 456 G N 2.654 111.459 108.800 0.008 0.000 2.155 456 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 456 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 456 G C 0.168 175.052 174.900 -0.027 0.000 0.983 456 G CA 0.559 45.636 45.100 -0.039 0.000 0.676 456 G HN 1.602 nan 8.290 nan 0.000 0.528 457 T N -1.221 113.362 114.554 0.048 0.000 2.727 457 T HA 0.562 4.912 4.350 -0.000 0.000 0.298 457 T C 0.267 175.058 174.700 0.152 0.000 0.942 457 T CA 0.095 62.237 62.100 0.070 0.000 0.997 457 T CB 1.884 70.783 68.868 0.052 0.000 0.917 457 T HN 0.504 nan 8.240 nan 0.000 0.487 458 E N 2.033 122.381 120.200 0.246 0.000 2.765 458 E HA -0.062 4.288 4.350 -0.000 0.000 0.256 458 E C 0.653 177.308 176.600 0.092 0.000 0.935 458 E CA -0.109 56.460 56.400 0.283 0.000 0.954 458 E CB 0.112 29.955 29.700 0.238 0.000 0.908 458 E HN 0.953 nan 8.360 nan 0.000 0.500 459 c N 3.687 122.299 118.600 0.019 0.000 3.491 459 c HA 0.479 5.049 4.570 -0.000 0.000 0.298 459 c C 0.641 174.720 174.090 -0.019 0.000 1.424 459 c CA -0.831 55.499 56.329 0.002 0.000 1.772 459 c CB -0.491 42.016 42.510 -0.004 0.000 2.447 459 c HN 0.681 nan 8.230 nan 0.000 0.670 460 R N 1.322 121.795 120.500 -0.046 0.000 2.695 460 R HA 0.545 4.885 4.340 -0.000 0.000 0.288 460 R C -0.237 176.038 176.300 -0.043 0.000 1.344 460 R CA 0.005 56.082 56.100 -0.039 0.000 1.005 460 R CB 0.976 31.245 30.300 -0.051 0.000 1.233 460 R HN 0.388 nan 8.270 nan 0.000 0.442 461 A N 2.418 125.229 122.820 -0.015 0.000 2.555 461 A HA 0.111 4.431 4.320 -0.000 0.000 0.233 461 A C 0.190 177.763 177.584 -0.018 0.000 1.060 461 A CA 0.344 52.374 52.037 -0.011 0.000 0.759 461 A CB 0.641 19.640 19.000 -0.003 0.000 0.995 461 A HN 0.639 nan 8.150 nan 0.000 0.506 462 S N 1.894 117.581 115.700 -0.022 0.000 2.489 462 S HA 0.367 4.837 4.470 -0.000 0.000 0.277 462 S C 1.206 175.779 174.600 -0.045 0.000 1.230 462 S CA -0.463 57.716 58.200 -0.035 0.000 1.053 462 S CB 0.029 63.209 63.200 -0.035 0.000 0.955 462 S HN 0.550 nan 8.310 nan 0.000 0.488 463 M N 3.747 123.309 119.600 -0.063 0.000 2.073 463 M HA 0.041 4.521 4.480 -0.000 0.000 0.259 463 M C 1.097 177.344 176.300 -0.089 0.000 1.079 463 M CA 0.819 56.071 55.300 -0.081 0.000 1.131 463 M CB -0.561 31.969 32.600 -0.116 0.000 1.316 463 M HN 0.785 nan 8.290 nan 0.000 0.415 464 S N -1.017 114.619 115.700 -0.106 0.000 2.776 464 S HA 0.207 4.677 4.470 -0.000 0.000 0.292 464 S C 0.416 174.965 174.600 -0.086 0.000 1.187 464 S CA -0.658 57.491 58.200 -0.086 0.000 0.834 464 S CB 0.986 64.138 63.200 -0.080 0.000 1.199 464 S HN 0.466 nan 8.310 nan 0.000 0.514 465 E N -0.581 119.591 120.200 -0.047 0.000 2.267 465 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 465 E C 1.085 177.648 176.600 -0.061 0.000 0.998 465 E CA 1.457 57.844 56.400 -0.022 0.000 0.830 465 E CB -0.727 28.990 29.700 0.029 0.000 0.751 465 E HN 0.530 nan 8.360 nan 0.000 0.491 466 c N 1.175 119.717 118.600 -0.096 0.000 2.576 466 c HA 0.096 4.666 4.570 -0.000 0.000 0.267 466 c C 0.583 174.475 174.090 -0.331 0.000 1.364 466 c CA -0.189 56.055 56.329 -0.142 0.000 1.723 466 c CB -1.158 41.286 42.510 -0.111 0.000 1.778 466 c HN 0.333 nan 8.230 nan 0.000 0.572 467 D N 1.181 121.394 120.400 -0.313 0.000 2.408 467 D HA 0.229 4.869 4.640 -0.000 0.000 0.261 467 D C -2.543 173.640 176.300 -0.195 0.000 1.190 467 D CA -1.846 52.021 54.000 -0.221 0.000 0.910 467 D CB 1.216 41.908 40.800 -0.181 0.000 1.097 467 D HN 0.125 nan 8.370 nan 0.000 0.522 468 P HA 0.230 nan 4.420 nan 0.000 0.271 468 P C -0.361 176.885 177.300 -0.089 0.000 1.220 468 P CA -0.421 62.590 63.100 -0.149 0.000 0.768 468 P CB 1.139 32.782 31.700 -0.094 0.000 0.848 469 A N 3.797 126.561 122.820 -0.093 0.000 2.386 469 A HA 0.258 4.577 4.320 -0.000 0.000 0.248 469 A C 0.261 177.586 177.584 -0.432 0.000 1.082 469 A CA -0.058 51.863 52.037 -0.193 0.000 0.789 469 A CB -0.179 18.736 19.000 -0.141 0.000 1.025 469 A HN 0.513 nan 8.150 nan 0.000 0.490 470 E N 0.706 120.641 120.200 -0.442 0.000 2.222 470 E HA 0.586 4.936 4.350 -0.000 0.000 0.272 470 E C -0.702 175.505 176.600 -0.655 0.000 0.982 470 E CA -0.244 55.882 56.400 -0.456 0.000 0.842 470 E CB 1.028 30.606 29.700 -0.204 0.000 1.144 470 E HN 0.646 nan 8.360 nan 0.000 0.397 471 H N -0.399 118.662 119.070 -0.015 0.000 2.768 471 H HA 0.355 4.910 4.556 -0.000 0.000 0.371 471 H C -0.541 174.771 175.328 -0.027 0.000 1.151 471 H CA -0.942 55.097 56.048 -0.015 0.000 1.165 471 H CB 0.874 30.630 29.762 -0.010 0.000 1.722 471 H HN 0.464 nan 8.280 nan 0.000 0.543 472 c N 1.971 120.624 118.600 0.089 0.000 2.657 472 c HA -0.014 4.556 4.570 -0.000 0.000 0.420 472 c C 2.332 176.427 174.090 0.008 0.000 1.323 472 c CA 0.261 56.600 56.329 0.017 0.000 1.894 472 c CB -0.104 42.414 42.510 0.013 0.000 2.681 472 c HN 0.928 nan 8.230 nan 0.000 0.613 473 T N -0.533 113.993 114.554 -0.047 0.000 2.995 473 T HA 0.168 4.518 4.350 -0.000 0.000 0.269 473 T C 1.565 176.233 174.700 -0.052 0.000 1.091 473 T CA 1.264 63.332 62.100 -0.054 0.000 1.128 473 T CB -0.247 68.564 68.868 -0.096 0.000 0.891 473 T HN 1.714 nan 8.240 nan 0.000 0.492 474 G N 1.752 110.516 108.800 -0.062 0.000 2.195 474 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 474 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 474 G C 0.601 175.488 174.900 -0.022 0.000 0.984 474 G CA 0.408 45.503 45.100 -0.008 0.000 0.633 474 G HN 0.843 nan 8.290 nan 0.000 0.525 475 Q N -0.884 118.797 119.800 -0.199 0.000 2.086 475 Q HA 0.634 4.974 4.340 -0.000 0.000 0.220 475 Q C 0.160 175.583 176.000 -0.960 0.000 0.792 475 Q CA 0.431 56.042 55.803 -0.319 0.000 1.062 475 Q CB 0.986 29.652 28.738 -0.119 0.000 1.198 475 Q HN 0.656 nan 8.270 nan 0.000 0.466 476 S N 0.093 115.116 115.700 -1.128 0.000 2.541 476 S HA 0.378 4.847 4.470 -0.000 0.000 0.271 476 S C 0.139 174.270 174.600 -0.781 0.000 1.133 476 S CA -0.073 57.485 58.200 -1.070 0.000 0.876 476 S CB 1.831 64.760 63.200 -0.451 0.000 1.105 476 S HN 0.317 nan 8.310 nan 0.000 0.470 477 S N 1.707 117.162 115.700 -0.408 0.000 2.548 477 S HA 0.291 4.761 4.470 -0.000 0.000 0.215 477 S C 0.011 174.538 174.600 -0.121 0.000 0.976 477 S CA -0.170 58.008 58.200 -0.036 0.000 0.908 477 S CB -0.121 63.152 63.200 0.121 0.000 0.781 477 S HN 0.631 nan 8.310 nan 0.000 0.519 478 E N 1.096 121.206 120.200 -0.151 0.000 2.179 478 E HA 0.296 4.646 4.350 -0.000 0.000 0.275 478 E C -0.902 175.643 176.600 -0.091 0.000 0.945 478 E CA -0.703 55.631 56.400 -0.110 0.000 0.792 478 E CB 1.632 31.278 29.700 -0.089 0.000 1.125 478 E HN 0.257 nan 8.360 nan 0.000 0.397 479 c N 5.787 124.349 118.600 -0.063 0.000 2.629 479 c HA 0.237 4.807 4.570 -0.000 0.000 0.410 479 c C -1.690 172.361 174.090 -0.066 0.000 1.339 479 c CA -1.237 55.058 56.329 -0.058 0.000 1.810 479 c CB -0.603 41.882 42.510 -0.042 0.000 2.549 479 c HN 0.494 nan 8.230 nan 0.000 0.589 480 P HA 0.190 nan 4.420 nan 0.000 0.268 480 P C -0.238 177.014 177.300 -0.081 0.000 1.208 480 P CA 0.122 63.178 63.100 -0.072 0.000 0.777 480 P CB 0.437 32.098 31.700 -0.066 0.000 0.875 481 A N 1.971 124.742 122.820 -0.082 0.000 2.615 481 A HA -0.086 4.234 4.320 -0.000 0.000 0.230 481 A C 0.510 178.016 177.584 -0.129 0.000 1.062 481 A CA 0.369 52.344 52.037 -0.103 0.000 0.758 481 A CB -0.540 18.400 19.000 -0.101 0.000 0.995 481 A HN 0.604 nan 8.150 nan 0.000 0.511 482 D N 0.853 121.148 120.400 -0.176 0.000 2.317 482 D HA 0.409 5.048 4.640 -0.000 0.000 0.252 482 D C -0.512 175.588 176.300 -0.334 0.000 1.174 482 D CA 0.209 54.069 54.000 -0.233 0.000 0.866 482 D CB 0.681 41.316 40.800 -0.274 0.000 1.127 482 D HN 0.178 nan 8.370 nan 0.000 0.467 483 V N 5.384 125.173 119.914 -0.208 0.000 2.483 483 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 483 V C 0.067 176.180 176.094 0.030 0.000 1.035 483 V CA -0.643 61.572 62.300 -0.141 0.000 0.896 483 V CB 1.139 32.940 31.823 -0.036 0.000 0.986 483 V HN 0.449 nan 8.190 nan 0.000 0.447 484 F N 1.841 121.752 119.950 -0.065 0.000 2.556 484 F HA 0.539 5.066 4.527 -0.000 0.000 0.327 484 F C 0.715 176.518 175.800 0.005 0.000 1.059 484 F CA -1.079 56.865 58.000 -0.093 0.000 0.953 484 F CB 1.821 40.764 39.000 -0.094 0.000 1.227 484 F HN 0.509 nan 8.300 nan 0.000 0.478 485 H N 0.512 119.668 119.070 0.144 0.000 2.581 485 H HA 0.178 4.734 4.556 -0.000 0.000 0.369 485 H C -0.450 174.902 175.328 0.040 0.000 1.351 485 H CA -0.897 55.189 56.048 0.063 0.000 1.434 485 H CB 0.901 30.682 29.762 0.031 0.000 1.558 485 H HN 0.352 nan 8.280 nan 0.000 0.608 486 K N 1.309 121.792 120.400 0.138 0.000 2.382 486 K HA 0.010 4.330 4.320 -0.000 0.000 0.275 486 K C -0.260 176.320 176.600 -0.033 0.000 1.009 486 K CA -0.004 56.305 56.287 0.036 0.000 0.970 486 K CB 0.319 32.828 32.500 0.016 0.000 0.934 486 K HN 0.514 nan 8.250 nan 0.000 0.479 487 N N 0.596 119.191 118.700 -0.175 0.000 2.492 487 N HA 0.032 4.772 4.740 -0.000 0.000 0.262 487 N C 0.845 176.112 175.510 -0.404 0.000 1.202 487 N CA 0.572 53.352 53.050 -0.450 0.000 0.926 487 N CB 0.693 38.598 38.487 -0.970 0.000 1.078 487 N HN 0.831 nan 8.380 nan 0.000 0.454 488 G N 1.203 109.903 108.800 -0.168 0.000 2.232 488 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.226 488 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.226 488 G C 0.237 175.261 174.900 0.208 0.000 0.996 488 G CA -0.142 45.023 45.100 0.108 0.000 0.626 488 G HN 0.629 nan 8.290 nan 0.000 0.509 489 Q N 3.268 123.150 119.800 0.137 0.000 2.256 489 Q HA 0.395 4.735 4.340 -0.000 0.000 0.281 489 Q C -1.734 174.393 176.000 0.213 0.000 1.162 489 Q CA -1.221 54.670 55.803 0.147 0.000 0.943 489 Q CB 0.283 29.078 28.738 0.094 0.000 1.195 489 Q HN 0.415 nan 8.270 nan 0.000 0.403 490 P HA -0.085 nan 4.420 nan 0.000 0.262 490 P C -0.546 176.777 177.300 0.039 0.000 1.182 490 P CA 0.046 63.225 63.100 0.131 0.000 0.761 490 P CB 0.243 32.014 31.700 0.118 0.000 0.795 491 c N 1.353 119.939 118.600 -0.022 0.000 3.307 491 c HA 0.534 5.104 4.570 -0.000 0.000 0.350 491 c C 0.886 174.961 174.090 -0.025 0.000 1.549 491 c CA -1.260 55.070 56.329 0.002 0.000 1.396 491 c CB -0.011 42.524 42.510 0.041 0.000 1.970 491 c HN 0.540 nan 8.230 nan 0.000 0.441 492 L N 1.196 122.418 121.223 -0.003 0.000 3.854 492 L HA -0.189 4.151 4.340 -0.000 0.000 0.460 492 L C 0.433 177.232 176.870 -0.118 0.000 1.228 492 L CA 1.409 56.240 54.840 -0.015 0.000 0.760 492 L CB -1.579 40.517 42.059 0.061 0.000 1.597 492 L HN 1.133 nan 8.230 nan 0.000 0.852 493 D N 1.295 121.619 120.400 -0.126 0.000 2.708 493 D HA -0.253 4.387 4.640 -0.000 0.000 0.236 493 D C 0.692 176.869 176.300 -0.204 0.000 1.146 493 D CA 1.450 55.337 54.000 -0.188 0.000 0.662 493 D CB -0.540 40.089 40.800 -0.287 0.000 1.059 493 D HN 0.769 nan 8.370 nan 0.000 0.428 494 N N -1.336 117.297 118.700 -0.111 0.000 2.776 494 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 494 N C 0.164 175.716 175.510 0.069 0.000 1.111 494 N CA 1.185 54.193 53.050 -0.071 0.000 0.711 494 N CB -1.653 36.814 38.487 -0.034 0.000 1.065 494 N HN 0.642 nan 8.380 nan 0.000 0.556 495 Y N -0.735 119.464 120.300 -0.169 0.000 2.444 495 Y HA 0.310 4.860 4.550 -0.000 0.000 0.249 495 Y C 1.718 177.506 175.900 -0.186 0.000 1.134 495 Y CA 0.070 58.080 58.100 -0.151 0.000 1.261 495 Y CB 1.147 39.544 38.460 -0.106 0.000 1.143 495 Y HN 0.190 nan 8.280 nan 0.000 0.523 496 G N -1.047 107.681 108.800 -0.119 0.000 2.649 496 G HA2 0.465 4.425 3.960 -0.000 0.000 0.290 496 G HA3 0.465 4.425 3.960 -0.000 0.000 0.290 496 G C -2.337 172.351 174.900 -0.354 0.000 1.426 496 G CA -0.594 44.395 45.100 -0.185 0.000 0.794 496 G HN -0.059 nan 8.290 nan 0.000 0.483 497 Y N -0.557 119.808 120.300 0.109 0.000 2.409 497 Y HA 0.444 4.994 4.550 -0.000 0.000 0.343 497 Y C 0.874 176.841 175.900 0.112 0.000 0.973 497 Y CA -0.820 57.347 58.100 0.111 0.000 1.064 497 Y CB 1.688 40.234 38.460 0.142 0.000 1.207 497 Y HN 0.615 nan 8.280 nan 0.000 0.452 498 c N 2.838 121.570 118.600 0.219 0.000 2.641 498 c HA -0.001 4.568 4.570 -0.000 0.000 0.412 498 c C -0.278 173.897 174.090 0.143 0.000 1.312 498 c CA 0.270 56.673 56.329 0.124 0.000 1.838 498 c CB -1.290 41.260 42.510 0.067 0.000 2.682 498 c HN 0.726 nan 8.230 nan 0.000 0.627 499 Y N 3.154 123.418 120.300 -0.059 0.000 2.323 499 Y HA 0.272 4.821 4.550 -0.000 0.000 0.322 499 Y C 0.104 175.931 175.900 -0.122 0.000 1.133 499 Y CA -0.812 57.247 58.100 -0.068 0.000 1.093 499 Y CB 0.328 38.817 38.460 0.048 0.000 1.203 499 Y HN 0.854 nan 8.280 nan 0.000 0.427 500 N N 4.351 122.660 118.700 -0.651 0.000 2.702 500 N HA -0.216 4.523 4.740 -0.000 0.000 0.255 500 N C 0.978 175.878 175.510 -1.017 0.000 0.983 500 N CA 2.008 54.721 53.050 -0.563 0.000 0.768 500 N CB -1.056 37.073 38.487 -0.597 0.000 0.918 500 N HN 1.550 nan 8.380 nan 0.000 0.540 501 G N -1.768 106.394 108.800 -1.063 0.000 2.157 501 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.248 501 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.248 501 G C -0.013 174.549 174.900 -0.562 0.000 0.979 501 G CA 0.408 44.759 45.100 -1.248 0.000 0.650 501 G HN 0.629 nan 8.290 nan 0.000 0.529 502 N N -1.645 116.863 118.700 -0.319 0.000 2.571 502 N HA 0.630 5.370 4.740 -0.000 0.000 0.273 502 N C -0.917 174.585 175.510 -0.012 0.000 1.340 502 N CA -0.022 52.947 53.050 -0.135 0.000 0.789 502 N CB 1.774 40.210 38.487 -0.085 0.000 1.514 502 N HN 0.306 nan 8.380 nan 0.000 0.499 503 c N 2.779 121.398 118.600 0.032 0.000 2.566 503 c HA 0.474 5.043 4.570 -0.000 0.000 0.300 503 c C -2.453 171.714 174.090 0.128 0.000 1.147 503 c CA -1.677 54.705 56.329 0.088 0.000 1.644 503 c CB -1.095 41.463 42.510 0.080 0.000 1.691 503 c HN 0.481 nan 8.230 nan 0.000 0.440 504 P HA 0.234 nan 4.420 nan 0.000 0.269 504 P C -0.587 176.786 177.300 0.121 0.000 1.252 504 P CA 0.667 63.845 63.100 0.131 0.000 0.780 504 P CB 0.288 32.063 31.700 0.125 0.000 0.829 505 I N -0.379 120.270 120.570 0.131 0.000 2.647 505 I HA 0.344 4.513 4.170 -0.000 0.000 0.295 505 I C 1.348 177.518 176.117 0.089 0.000 1.078 505 I CA -1.511 59.842 61.300 0.088 0.000 1.048 505 I CB 1.907 39.944 38.000 0.061 0.000 1.239 505 I HN -0.013 nan 8.210 nan 0.000 0.421 506 M N 3.628 123.276 119.600 0.080 0.000 2.103 506 M HA -0.252 4.227 4.480 -0.000 0.000 0.255 506 M C 1.795 178.189 176.300 0.158 0.000 1.074 506 M CA 2.502 57.876 55.300 0.122 0.000 1.090 506 M CB -0.779 31.890 32.600 0.115 0.000 1.325 506 M HN 0.833 nan 8.290 nan 0.000 0.403 507 Y N -0.280 120.024 120.300 0.008 0.000 2.097 507 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 507 Y C 2.466 178.413 175.900 0.079 0.000 1.152 507 Y CA 2.247 60.362 58.100 0.024 0.000 1.136 507 Y CB -0.738 37.688 38.460 -0.057 0.000 0.975 507 Y HN 0.362 nan 8.280 nan 0.000 0.498 508 H N 0.072 119.110 119.070 -0.053 0.000 2.421 508 H HA -0.118 4.438 4.556 -0.000 0.000 0.298 508 H C 2.133 177.422 175.328 -0.065 0.000 1.087 508 H CA 1.782 57.739 56.048 -0.152 0.000 1.330 508 H CB -0.365 29.368 29.762 -0.049 0.000 1.388 508 H HN 0.568 nan 8.280 nan 0.000 0.526 509 Q N -0.656 119.198 119.800 0.090 0.000 2.167 509 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 509 Q C 2.554 178.530 176.000 -0.039 0.000 0.970 509 Q CA 1.234 57.047 55.803 0.017 0.000 0.855 509 Q CB 0.023 28.775 28.738 0.023 0.000 0.911 509 Q HN 0.369 nan 8.270 nan 0.000 0.438 510 c N -0.394 118.214 118.600 0.013 0.000 2.457 510 c HA -0.127 4.443 4.570 -0.000 0.000 0.278 510 c C 2.449 176.524 174.090 -0.026 0.000 1.309 510 c CA 0.371 56.735 56.329 0.057 0.000 1.735 510 c CB -0.868 41.731 42.510 0.149 0.000 1.992 510 c HN 0.572 nan 8.230 nan 0.000 0.493 511 Y N 2.432 122.602 120.300 -0.217 0.000 2.145 511 Y HA -0.190 4.359 4.550 -0.000 0.000 0.286 511 Y C 2.141 177.917 175.900 -0.207 0.000 1.145 511 Y CA 2.066 60.026 58.100 -0.233 0.000 1.148 511 Y CB -0.593 37.682 38.460 -0.309 0.000 0.981 511 Y HN 0.317 nan 8.280 nan 0.000 0.507 512 D N 0.470 120.834 120.400 -0.060 0.000 2.133 512 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 512 D C 2.304 178.352 176.300 -0.419 0.000 0.997 512 D CA 1.797 55.678 54.000 -0.197 0.000 0.840 512 D CB -0.359 40.366 40.800 -0.124 0.000 0.947 512 D HN 0.427 nan 8.370 nan 0.000 0.452 513 L N -0.767 120.136 121.223 -0.533 0.000 1.993 513 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 513 L C 1.560 177.885 176.870 -0.908 0.000 1.074 513 L CA 1.035 55.330 54.840 -0.909 0.000 0.746 513 L CB -0.277 40.976 42.059 -1.344 0.000 0.896 513 L HN -0.028 nan 8.230 nan 0.000 0.435 514 F N -0.450 119.369 119.950 -0.219 0.000 2.684 514 F HA 0.443 4.970 4.527 -0.000 0.000 0.298 514 F C 1.257 176.902 175.800 -0.258 0.000 1.120 514 F CA 0.133 58.020 58.000 -0.188 0.000 1.332 514 F CB -0.152 38.777 39.000 -0.119 0.000 0.986 514 F HN 0.190 nan 8.300 nan 0.000 0.524 515 G N 1.202 109.797 108.800 -0.341 0.000 2.498 515 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.251 515 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.251 515 G C -0.162 174.473 174.900 -0.442 0.000 1.170 515 G CA -0.445 44.353 45.100 -0.504 0.000 0.944 515 G HN 0.688 nan 8.290 nan 0.000 0.567 516 A N -0.969 121.745 122.820 -0.177 0.000 2.269 516 A HA 0.734 5.053 4.320 -0.000 0.000 0.327 516 A C 0.848 178.398 177.584 -0.056 0.000 1.112 516 A CA 1.366 53.412 52.037 0.016 0.000 0.865 516 A CB 0.920 19.998 19.000 0.129 0.000 1.227 516 A HN 2.442 nan 8.150 nan 0.000 0.498 517 D N -1.978 118.362 120.400 -0.101 0.000 3.076 517 D HA -0.145 4.495 4.640 -0.000 0.000 0.218 517 D C -0.629 175.389 176.300 -0.469 0.000 1.156 517 D CA 1.385 55.247 54.000 -0.230 0.000 0.921 517 D CB -1.262 39.527 40.800 -0.019 0.000 1.113 517 D HN 0.444 nan 8.370 nan 0.000 0.418 518 V N 2.013 121.634 119.914 -0.489 0.000 2.326 518 V HA 0.486 4.606 4.120 -0.000 0.000 0.281 518 V C 0.022 175.930 176.094 -0.310 0.000 1.015 518 V CA -0.695 61.419 62.300 -0.310 0.000 0.823 518 V CB 0.727 32.514 31.823 -0.060 0.000 1.009 518 V HN 0.107 nan 8.190 nan 0.000 0.436 519 Y N 0.956 121.383 120.300 0.210 0.000 2.545 519 Y HA 0.467 5.016 4.550 -0.000 0.000 0.324 519 Y C 0.810 176.836 175.900 0.212 0.000 1.220 519 Y CA -1.212 57.054 58.100 0.277 0.000 1.290 519 Y CB 0.600 39.185 38.460 0.208 0.000 1.355 519 Y HN 0.553 nan 8.280 nan 0.000 0.516 520 E N 0.970 121.411 120.200 0.401 0.000 2.452 520 E HA 0.286 4.636 4.350 -0.000 0.000 0.261 520 E C -0.604 176.168 176.600 0.286 0.000 0.987 520 E CA -0.293 56.298 56.400 0.319 0.000 0.926 520 E CB 0.529 30.386 29.700 0.261 0.000 0.934 520 E HN 0.685 nan 8.360 nan 0.000 0.452 521 A N 4.615 127.617 122.820 0.302 0.000 2.332 521 A HA 0.150 4.470 4.320 -0.000 0.000 0.258 521 A C 0.059 177.819 177.584 0.293 0.000 1.087 521 A CA -0.588 51.584 52.037 0.226 0.000 0.802 521 A CB 0.480 19.554 19.000 0.123 0.000 1.042 521 A HN 0.715 nan 8.150 nan 0.000 0.489 522 E N 0.298 120.602 120.200 0.173 0.000 2.422 522 E HA -0.021 4.328 4.350 -0.000 0.000 0.260 522 E C 0.335 177.068 176.600 0.221 0.000 1.108 522 E CA 0.167 56.653 56.400 0.144 0.000 0.943 522 E CB 0.284 30.025 29.700 0.069 0.000 0.961 522 E HN 0.621 nan 8.360 nan 0.000 0.443 523 D N 0.340 120.821 120.400 0.134 0.000 2.158 523 D HA -0.184 4.455 4.640 -0.000 0.000 0.197 523 D C 1.806 178.191 176.300 0.141 0.000 0.995 523 D CA 1.987 56.058 54.000 0.118 0.000 0.846 523 D CB -0.108 40.697 40.800 0.008 0.000 0.941 523 D HN 0.428 nan 8.370 nan 0.000 0.456 524 S N -0.610 115.130 115.700 0.067 0.000 2.399 524 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 524 S C 2.218 176.788 174.600 -0.048 0.000 1.022 524 S CA 0.876 59.083 58.200 0.011 0.000 0.983 524 S CB -0.870 62.325 63.200 -0.008 0.000 0.803 524 S HN 0.370 nan 8.310 nan 0.000 0.480 525 c N 1.038 119.589 118.600 -0.082 0.000 2.413 525 c HA 0.029 4.598 4.570 -0.000 0.000 0.276 525 c C 2.332 176.005 174.090 -0.696 0.000 1.236 525 c CA 0.694 56.800 56.329 -0.373 0.000 1.735 525 c CB -1.890 40.378 42.510 -0.402 0.000 2.031 525 c HN 0.622 nan 8.230 nan 0.000 0.474 526 F N 1.410 121.099 119.950 -0.436 0.000 2.307 526 F HA -0.145 4.382 4.527 -0.000 0.000 0.301 526 F C 2.202 177.862 175.800 -0.232 0.000 1.076 526 F CA 1.503 59.301 58.000 -0.336 0.000 1.383 526 F CB -0.864 38.095 39.000 -0.068 0.000 1.055 526 F HN 0.416 nan 8.300 nan 0.000 0.526 527 E N -0.036 120.135 120.200 -0.048 0.000 2.160 527 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 527 E C 2.208 178.764 176.600 -0.075 0.000 0.991 527 E CA 0.857 57.235 56.400 -0.037 0.000 0.810 527 E CB -0.232 29.445 29.700 -0.039 0.000 0.742 527 E HN 0.435 nan 8.360 nan 0.000 0.466 528 R N 0.708 121.109 120.500 -0.166 0.000 2.133 528 R HA -0.165 4.174 4.340 -0.000 0.000 0.247 528 R C 1.733 177.990 176.300 -0.072 0.000 1.151 528 R CA 1.531 57.567 56.100 -0.105 0.000 0.971 528 R CB -0.431 29.839 30.300 -0.051 0.000 0.866 528 R HN 0.281 nan 8.270 nan 0.000 0.447 529 N N 0.478 119.177 118.700 -0.002 0.000 2.651 529 N HA -0.179 4.560 4.740 -0.000 0.000 0.193 529 N C 1.133 176.641 175.510 -0.003 0.000 1.149 529 N CA 0.487 53.556 53.050 0.031 0.000 0.933 529 N CB 0.061 38.623 38.487 0.126 0.000 0.974 529 N HN 0.409 nan 8.380 nan 0.000 0.448 530 Q N 0.072 119.858 119.800 -0.023 0.000 2.408 530 Q HA 0.060 4.400 4.340 -0.000 0.000 0.205 530 Q C 1.299 177.277 176.000 -0.037 0.000 0.919 530 Q CA 0.336 56.129 55.803 -0.016 0.000 0.932 530 Q CB 0.335 29.067 28.738 -0.011 0.000 1.058 530 Q HN 0.314 nan 8.270 nan 0.000 0.517 531 K N 0.280 120.631 120.400 -0.081 0.000 2.097 531 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 531 K C 1.148 177.697 176.600 -0.084 0.000 1.049 531 K CA 0.923 57.148 56.287 -0.102 0.000 0.933 531 K CB -0.138 32.249 32.500 -0.189 0.000 0.717 531 K HN 0.334 nan 8.250 nan 0.000 0.442 532 G N 2.565 111.323 108.800 -0.069 0.000 2.221 532 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 532 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 532 G C -0.077 174.785 174.900 -0.064 0.000 1.041 532 G CA 0.602 45.688 45.100 -0.022 0.000 0.807 532 G HN 0.519 nan 8.290 nan 0.000 0.502 533 N N -0.473 118.140 118.700 -0.146 0.000 2.547 533 N HA 0.445 5.185 4.740 -0.000 0.000 0.301 533 N C 1.571 177.017 175.510 -0.106 0.000 1.328 533 N CA 0.107 53.068 53.050 -0.148 0.000 0.932 533 N CB -0.356 37.977 38.487 -0.257 0.000 1.104 533 N HN 0.573 nan 8.380 nan 0.000 0.548 534 Y N -1.728 118.487 120.300 -0.142 0.000 2.293 534 Y HA -0.031 4.519 4.550 -0.000 0.000 0.291 534 Y C 1.925 177.775 175.900 -0.084 0.000 1.137 534 Y CA 1.150 59.168 58.100 -0.137 0.000 1.202 534 Y CB -0.702 37.628 38.460 -0.216 0.000 0.990 534 Y HN 0.607 nan 8.280 nan 0.000 0.537 535 Y N 0.065 119.924 120.300 -0.735 0.000 2.559 535 Y HA 0.567 5.116 4.550 -0.000 0.000 0.279 535 Y C 1.212 176.995 175.900 -0.195 0.000 1.117 535 Y CA -0.594 57.218 58.100 -0.480 0.000 1.263 535 Y CB -0.537 37.435 38.460 -0.812 0.000 1.230 535 Y HN -0.032 nan 8.280 nan 0.000 0.528 536 G N 1.295 109.651 108.800 -0.741 0.000 2.350 536 G HA2 0.475 4.435 3.960 -0.000 0.000 0.306 536 G HA3 0.475 4.435 3.960 -0.000 0.000 0.306 536 G C -1.473 173.384 174.900 -0.073 0.000 1.094 536 G CA -0.090 44.787 45.100 -0.372 0.000 0.953 536 G HN 0.573 nan 8.290 nan 0.000 0.420 537 Y N -1.238 119.023 120.300 -0.065 0.000 2.852 537 Y HA 0.475 5.024 4.550 -0.000 0.000 0.350 537 Y C -0.009 175.893 175.900 0.003 0.000 1.272 537 Y CA -1.261 56.815 58.100 -0.040 0.000 1.086 537 Y CB 0.321 38.755 38.460 -0.044 0.000 1.408 537 Y HN 0.235 nan 8.280 nan 0.000 0.447 538 c N 0.383 119.102 118.600 0.199 0.000 2.535 538 c HA 0.492 5.062 4.570 -0.000 0.000 0.310 538 c C 0.433 174.610 174.090 0.144 0.000 1.344 538 c CA 0.965 57.336 56.329 0.070 0.000 1.831 538 c CB -0.316 42.175 42.510 -0.032 0.000 2.284 538 c HN 0.863 nan 8.230 nan 0.000 0.523 539 R N -0.777 119.890 120.500 0.279 0.000 2.756 539 R HA 0.416 4.756 4.340 -0.000 0.000 0.273 539 R C -1.938 174.456 176.300 0.157 0.000 1.030 539 R CA -0.712 55.518 56.100 0.218 0.000 0.887 539 R CB 0.539 30.882 30.300 0.071 0.000 1.274 539 R HN -0.197 nan 8.270 nan 0.000 0.461 540 K N 0.935 121.391 120.400 0.092 0.000 2.203 540 K HA 0.429 4.749 4.320 -0.000 0.000 0.251 540 K C -1.105 175.500 176.600 0.010 0.000 0.944 540 K CA -0.650 55.645 56.287 0.014 0.000 0.829 540 K CB 1.823 34.336 32.500 0.021 0.000 1.125 540 K HN 0.624 nan 8.250 nan 0.000 0.430 541 E N 1.244 121.439 120.200 -0.010 0.000 2.378 541 E HA 0.187 4.536 4.350 -0.000 0.000 0.282 541 E C -0.892 175.703 176.600 -0.009 0.000 0.910 541 E CA -0.235 56.164 56.400 -0.002 0.000 0.816 541 E CB 0.694 30.398 29.700 0.005 0.000 1.359 541 E HN 0.664 nan 8.360 nan 0.000 0.397 542 N N 1.791 120.488 118.700 -0.006 0.000 2.800 542 N HA -0.289 4.450 4.740 -0.000 0.000 0.250 542 N C 0.781 176.286 175.510 -0.009 0.000 1.078 542 N CA 0.349 53.395 53.050 -0.006 0.000 0.804 542 N CB -0.590 37.894 38.487 -0.005 0.000 1.135 542 N HN 0.862 nan 8.380 nan 0.000 0.565 543 G N -0.386 108.406 108.800 -0.013 0.000 2.284 543 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.230 543 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.230 543 G C -0.121 174.751 174.900 -0.047 0.000 1.021 543 G CA 0.269 45.358 45.100 -0.018 0.000 0.619 543 G HN 0.519 nan 8.290 nan 0.000 0.510 544 N N 1.685 120.355 118.700 -0.049 0.000 2.518 544 N HA 0.428 5.168 4.740 -0.000 0.000 0.266 544 N C 0.080 175.516 175.510 -0.124 0.000 1.196 544 N CA 0.220 53.225 53.050 -0.074 0.000 0.947 544 N CB 0.446 38.905 38.487 -0.047 0.000 1.098 544 N HN 0.588 nan 8.380 nan 0.000 0.450 545 K N 2.333 122.605 120.400 -0.213 0.000 2.253 545 K HA 0.346 4.666 4.320 -0.000 0.000 0.277 545 K C -0.639 175.860 176.600 -0.168 0.000 1.053 545 K CA -0.580 55.489 56.287 -0.362 0.000 0.892 545 K CB 0.912 32.864 32.500 -0.913 0.000 1.102 545 K HN 0.300 nan 8.250 nan 0.000 0.469 546 I N 4.530 125.070 120.570 -0.049 0.000 2.428 546 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 546 I C -1.846 174.318 176.117 0.079 0.000 1.019 546 I CA -3.074 58.235 61.300 0.015 0.000 1.351 546 I CB 0.448 38.462 38.000 0.023 0.000 1.412 546 I HN 0.585 nan 8.210 nan 0.000 0.513 547 P HA 0.128 nan 4.420 nan 0.000 0.274 547 P C -0.502 176.823 177.300 0.042 0.000 1.231 547 P CA -0.344 62.790 63.100 0.058 0.000 0.790 547 P CB 0.825 32.538 31.700 0.020 0.000 0.951 548 c N 1.825 120.448 118.600 0.037 0.000 2.652 548 c HA 0.471 5.040 4.570 -0.000 0.000 0.412 548 c C 1.353 175.458 174.090 0.024 0.000 1.294 548 c CA 0.005 56.345 56.329 0.018 0.000 2.127 548 c CB -0.071 42.457 42.510 0.030 0.000 2.691 548 c HN 0.626 nan 8.230 nan 0.000 0.615 549 A N 4.226 127.064 122.820 0.030 0.000 2.304 549 A HA 0.458 4.778 4.320 -0.000 0.000 0.271 549 A C -1.274 176.330 177.584 0.033 0.000 1.091 549 A CA -0.930 51.132 52.037 0.041 0.000 0.812 549 A CB -0.161 18.881 19.000 0.070 0.000 1.056 549 A HN 0.697 nan 8.150 nan 0.000 0.489 550 P HA -0.204 nan 4.420 nan 0.000 0.218 550 P C 0.491 177.800 177.300 0.016 0.000 1.150 550 P CA 1.862 64.972 63.100 0.017 0.000 0.841 550 P CB 0.196 31.902 31.700 0.011 0.000 0.784 551 E N -1.614 118.599 120.200 0.022 0.000 2.442 551 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 551 E C 0.830 177.444 176.600 0.024 0.000 1.030 551 E CA 0.590 57.001 56.400 0.017 0.000 0.869 551 E CB -0.444 29.268 29.700 0.019 0.000 0.857 551 E HN 0.317 nan 8.360 nan 0.000 0.505 552 D N -0.002 120.421 120.400 0.039 0.000 2.402 552 D HA 0.039 4.678 4.640 -0.000 0.000 0.216 552 D C 1.298 177.614 176.300 0.027 0.000 1.128 552 D CA 0.008 54.029 54.000 0.035 0.000 0.833 552 D CB 0.741 41.563 40.800 0.037 0.000 0.971 552 D HN -0.012 nan 8.370 nan 0.000 0.503 553 V N 0.970 120.906 119.914 0.037 0.000 2.568 553 V HA -0.198 3.922 4.120 -0.000 0.000 0.253 553 V C 1.851 178.042 176.094 0.162 0.000 1.072 553 V CA 1.548 63.903 62.300 0.092 0.000 1.084 553 V CB -0.150 31.724 31.823 0.085 0.000 0.676 553 V HN 0.045 nan 8.190 nan 0.000 0.469 554 K N -1.147 119.255 120.400 0.003 0.000 2.458 554 K HA 0.137 4.457 4.320 -0.000 0.000 0.194 554 K C 1.010 177.643 176.600 0.054 0.000 1.024 554 K CA 0.386 56.607 56.287 -0.109 0.000 1.108 554 K CB -0.299 32.008 32.500 -0.322 0.000 0.846 554 K HN 0.500 nan 8.250 nan 0.000 0.518 555 c N -0.196 118.450 118.600 0.076 0.000 2.994 555 c HA 0.317 4.887 4.570 -0.000 0.000 0.284 555 c C 1.399 175.513 174.090 0.040 0.000 1.404 555 c CA -0.791 55.566 56.329 0.047 0.000 1.775 555 c CB -0.245 42.267 42.510 0.003 0.000 2.458 555 c HN 0.442 nan 8.230 nan 0.000 0.593 556 G N 0.494 109.344 108.800 0.084 0.000 3.271 556 G HA2 0.440 4.400 3.960 -0.000 0.000 0.174 556 G HA3 0.440 4.400 3.960 -0.000 0.000 0.174 556 G C -0.252 174.617 174.900 -0.052 0.000 1.385 556 G CA -0.332 44.758 45.100 -0.016 0.000 0.979 556 G HN 0.274 nan 8.290 nan 0.000 0.610 557 R N -0.376 120.044 120.500 -0.134 0.000 2.623 557 R HA 0.289 4.629 4.340 -0.000 0.000 0.271 557 R C -0.222 175.920 176.300 -0.263 0.000 1.043 557 R CA -0.371 55.582 56.100 -0.244 0.000 1.083 557 R CB 0.203 30.332 30.300 -0.285 0.000 0.974 557 R HN 0.311 nan 8.270 nan 0.000 0.436 558 L N 4.774 125.808 121.223 -0.315 0.000 2.375 558 L HA 0.410 4.749 4.340 -0.000 0.000 0.271 558 L C -1.410 175.088 176.870 -0.620 0.000 1.107 558 L CA -0.088 54.622 54.840 -0.217 0.000 0.806 558 L CB 0.643 42.680 42.059 -0.038 0.000 1.146 558 L HN 0.622 nan 8.230 nan 0.000 0.447 559 Y N 2.780 122.882 120.300 -0.329 0.000 2.442 559 Y HA 0.639 5.188 4.550 -0.000 0.000 0.344 559 Y C -0.109 175.725 175.900 -0.109 0.000 0.976 559 Y CA -0.640 57.267 58.100 -0.321 0.000 1.040 559 Y CB 1.877 39.948 38.460 -0.648 0.000 1.228 559 Y HN 0.655 nan 8.280 nan 0.000 0.451 560 c N 1.426 120.065 118.600 0.066 0.000 2.889 560 c HA 0.729 5.299 4.570 -0.000 0.000 0.307 560 c C -0.867 173.213 174.090 -0.017 0.000 1.251 560 c CA -1.619 54.757 56.329 0.078 0.000 1.593 560 c CB 1.883 44.469 42.510 0.127 0.000 2.104 560 c HN 0.864 nan 8.230 nan 0.000 0.476 561 K N 0.218 120.647 120.400 0.048 0.000 2.182 561 K HA 0.633 4.952 4.320 -0.000 0.000 0.262 561 K C -1.343 175.261 176.600 0.005 0.000 0.957 561 K CA -0.132 56.174 56.287 0.031 0.000 0.842 561 K CB 1.285 33.851 32.500 0.109 0.000 1.099 561 K HN 0.527 nan 8.250 nan 0.000 0.438 562 D N 2.550 122.923 120.400 -0.046 0.000 2.443 562 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 562 D C -0.779 175.528 176.300 0.013 0.000 1.097 562 D CA -0.445 53.524 54.000 -0.052 0.000 0.865 562 D CB 0.386 41.117 40.800 -0.115 0.000 1.034 562 D HN 0.643 nan 8.370 nan 0.000 0.511 563 N N 2.173 120.917 118.700 0.074 0.000 3.091 563 N HA 0.069 4.809 4.740 -0.000 0.000 0.301 563 N C -0.570 174.980 175.510 0.067 0.000 1.325 563 N CA -0.173 52.938 53.050 0.101 0.000 1.143 563 N CB 0.384 38.993 38.487 0.203 0.000 1.450 563 N HN 0.131 nan 8.380 nan 0.000 0.542 564 S N 1.815 117.533 115.700 0.029 0.000 2.489 564 S HA 0.345 4.814 4.470 -0.000 0.000 0.291 564 S C -2.103 172.506 174.600 0.015 0.000 1.151 564 S CA -1.205 57.006 58.200 0.019 0.000 1.082 564 S CB 1.473 64.673 63.200 0.001 0.000 1.019 564 S HN 0.249 nan 8.310 nan 0.000 0.492 565 P HA 0.158 nan 4.420 nan 0.000 0.265 565 P C 1.014 178.317 177.300 0.005 0.000 1.193 565 P CA 0.838 63.945 63.100 0.012 0.000 0.765 565 P CB 0.289 31.997 31.700 0.013 0.000 0.823 566 G N 3.454 112.256 108.800 0.003 0.000 5.426 566 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.297 566 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.297 566 G C -0.035 174.861 174.900 -0.006 0.000 1.422 566 G CA -0.052 45.047 45.100 -0.002 0.000 0.938 566 G HN 0.585 nan 8.290 nan 0.000 0.754 567 Q N 1.637 121.431 119.800 -0.010 0.000 2.242 567 Q HA 0.448 4.788 4.340 -0.000 0.000 0.284 567 Q C 0.139 176.127 176.000 -0.020 0.000 1.130 567 Q CA 0.884 56.675 55.803 -0.019 0.000 0.940 567 Q CB 0.416 29.139 28.738 -0.025 0.000 1.146 567 Q HN 0.594 nan 8.270 nan 0.000 0.388 568 N N 2.838 121.524 118.700 -0.023 0.000 2.776 568 N HA 0.119 4.859 4.740 -0.000 0.000 0.245 568 N C -1.673 173.817 175.510 -0.033 0.000 1.121 568 N CA -0.448 52.589 53.050 -0.022 0.000 0.852 568 N CB 0.494 38.973 38.487 -0.012 0.000 1.142 568 N HN 0.313 nan 8.380 nan 0.000 0.514 569 N N 3.701 122.371 118.700 -0.050 0.000 2.564 569 N HA 0.332 5.072 4.740 -0.000 0.000 0.248 569 N C -1.904 173.568 175.510 -0.063 0.000 0.986 569 N CA -1.866 51.145 53.050 -0.065 0.000 0.921 569 N CB 1.857 40.285 38.487 -0.099 0.000 1.136 569 N HN 0.377 nan 8.380 nan 0.000 0.509 570 P HA 0.025 nan 4.420 nan 0.000 0.219 570 P C -0.008 177.274 177.300 -0.030 0.000 1.150 570 P CA 0.619 63.704 63.100 -0.026 0.000 0.814 570 P CB 0.342 32.030 31.700 -0.020 0.000 0.787 571 c N 1.702 120.276 118.600 -0.043 0.000 3.094 571 c HA 0.351 4.921 4.570 -0.000 0.000 0.262 571 c C 0.600 174.683 174.090 -0.012 0.000 1.459 571 c CA -1.033 55.291 56.329 -0.008 0.000 1.570 571 c CB -1.158 41.336 42.510 -0.027 0.000 2.056 571 c HN 0.120 nan 8.230 nan 0.000 0.499 572 K N 2.354 122.674 120.400 -0.133 0.000 2.412 572 K HA 0.369 4.689 4.320 -0.000 0.000 0.281 572 K C 0.060 176.539 176.600 -0.202 0.000 1.027 572 K CA 0.610 56.718 56.287 -0.298 0.000 0.989 572 K CB 0.652 32.739 32.500 -0.689 0.000 0.935 572 K HN 0.505 nan 8.250 nan 0.000 0.475 573 M N 3.869 123.399 119.600 -0.117 0.000 2.575 573 M HA 0.399 4.879 4.480 -0.000 0.000 0.284 573 M C -2.092 174.325 176.300 0.196 0.000 1.253 573 M CA -0.775 54.493 55.300 -0.053 0.000 0.861 573 M CB 1.798 34.157 32.600 -0.401 0.000 1.733 573 M HN 0.551 nan 8.290 nan 0.000 0.462 574 F N 3.870 123.857 119.950 0.063 0.000 2.467 574 F HA 0.668 5.195 4.527 -0.000 0.000 0.336 574 F C -2.214 173.616 175.800 0.050 0.000 1.123 574 F CA -0.372 57.660 58.000 0.054 0.000 0.964 574 F CB 1.150 40.097 39.000 -0.088 0.000 1.136 574 F HN 0.561 nan 8.300 nan 0.000 0.447 575 Y N 4.454 124.407 120.300 -0.578 0.000 2.470 575 Y HA 0.586 5.135 4.550 -0.000 0.000 0.341 575 Y C -1.471 174.167 175.900 -0.437 0.000 1.021 575 Y CA -0.649 57.282 58.100 -0.283 0.000 1.025 575 Y CB 1.861 40.313 38.460 -0.013 0.000 1.266 575 Y HN 0.577 nan 8.280 nan 0.000 0.448 576 S N 4.438 119.444 115.700 -1.156 0.000 2.649 576 S HA 0.194 4.664 4.470 -0.000 0.000 0.274 576 S C -0.419 173.732 174.600 -0.748 0.000 1.176 576 S CA -0.689 57.052 58.200 -0.765 0.000 0.988 576 S CB 0.387 63.378 63.200 -0.348 0.000 1.071 576 S HN 0.864 nan 8.310 nan 0.000 0.478 577 N N 3.623 122.021 118.700 -0.502 0.000 2.575 577 N HA -0.057 4.682 4.740 -0.000 0.000 0.192 577 N C 0.798 176.250 175.510 -0.096 0.000 1.200 577 N CA 0.439 53.373 53.050 -0.194 0.000 0.897 577 N CB -0.000 38.502 38.487 0.026 0.000 0.990 577 N HN 0.849 nan 8.380 nan 0.000 0.449 578 E N -0.148 119.978 120.200 -0.122 0.000 2.190 578 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 578 E C -0.739 175.812 176.600 -0.082 0.000 0.978 578 E CA 0.443 56.799 56.400 -0.073 0.000 0.839 578 E CB 0.240 29.899 29.700 -0.068 0.000 0.787 578 E HN 0.275 nan 8.360 nan 0.000 0.473 579 D N -0.455 119.897 120.400 -0.080 0.000 2.445 579 D HA 0.053 4.693 4.640 -0.000 0.000 0.236 579 D C -0.314 175.987 176.300 0.002 0.000 1.315 579 D CA -0.126 53.856 54.000 -0.029 0.000 0.924 579 D CB 0.704 41.480 40.800 -0.038 0.000 1.447 579 D HN 0.009 nan 8.370 nan 0.000 0.532 580 E N 0.460 120.688 120.200 0.046 0.000 2.265 580 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 580 E C 0.894 177.633 176.600 0.232 0.000 0.996 580 E CA 0.642 57.127 56.400 0.142 0.000 0.832 580 E CB 0.133 30.016 29.700 0.305 0.000 0.756 580 E HN 0.541 nan 8.360 nan 0.000 0.491 581 H N 1.487 120.618 119.070 0.103 0.000 2.428 581 H HA 0.066 4.622 4.556 -0.000 0.000 0.296 581 H C 0.625 175.979 175.328 0.043 0.000 1.062 581 H CA 0.829 56.928 56.048 0.085 0.000 1.350 581 H CB 0.182 29.977 29.762 0.055 0.000 1.403 581 H HN -0.168 nan 8.280 nan 0.000 0.533 582 K N -0.208 120.177 120.400 -0.026 0.000 2.451 582 K HA 0.148 4.467 4.320 -0.000 0.000 0.280 582 K C 0.647 177.217 176.600 -0.050 0.000 1.020 582 K CA 0.862 57.078 56.287 -0.117 0.000 1.008 582 K CB -0.007 32.446 32.500 -0.078 0.000 0.917 582 K HN 0.610 nan 8.250 nan 0.000 0.478 583 G N 3.250 111.946 108.800 -0.173 0.000 2.213 583 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 583 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 583 G C -0.018 174.794 174.900 -0.147 0.000 0.992 583 G CA -0.234 44.816 45.100 -0.084 0.000 0.632 583 G HN 0.470 nan 8.290 nan 0.000 0.511 584 M N 1.574 121.034 119.600 -0.232 0.000 2.211 584 M HA 0.429 4.909 4.480 -0.000 0.000 0.356 584 M C 1.028 177.217 176.300 -0.186 0.000 1.216 584 M CA -0.583 54.574 55.300 -0.237 0.000 1.134 584 M CB 1.166 33.584 32.600 -0.303 0.000 1.564 584 M HN -0.029 nan 8.290 nan 0.000 0.463 585 V N 4.932 124.800 119.914 -0.077 0.000 2.509 585 V HA -0.073 4.047 4.120 -0.000 0.000 0.297 585 V C 0.866 176.946 176.094 -0.023 0.000 1.014 585 V CA -0.046 62.248 62.300 -0.010 0.000 1.127 585 V CB -0.538 31.325 31.823 0.066 0.000 0.925 585 V HN 0.639 nan 8.190 nan 0.000 0.480 586 L N 8.706 129.921 121.223 -0.015 0.000 2.506 586 L HA 0.184 4.524 4.340 -0.000 0.000 0.281 586 L C -1.646 175.222 176.870 -0.003 0.000 1.228 586 L CA -1.181 53.670 54.840 0.018 0.000 0.850 586 L CB 0.358 42.441 42.059 0.041 0.000 1.110 586 L HN 0.474 nan 8.230 nan 0.000 0.496 587 P HA 0.068 nan 4.420 nan 0.000 0.271 587 P C 0.578 177.595 177.300 -0.472 0.000 1.216 587 P CA 0.421 63.397 63.100 -0.208 0.000 0.776 587 P CB 1.247 32.836 31.700 -0.185 0.000 0.881 588 G N 1.594 110.134 108.800 -0.435 0.000 2.195 588 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.246 588 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.246 588 G C 0.290 175.202 174.900 0.019 0.000 0.984 588 G CA 0.075 45.003 45.100 -0.287 0.000 0.633 588 G HN 0.638 nan 8.290 nan 0.000 0.525 589 T N 1.355 115.911 114.554 0.004 0.000 2.916 589 T HA 0.333 4.683 4.350 -0.000 0.000 0.303 589 T C 0.650 175.407 174.700 0.094 0.000 1.025 589 T CA 0.535 62.674 62.100 0.064 0.000 1.142 589 T CB 1.266 70.161 68.868 0.044 0.000 0.947 589 T HN 0.437 nan 8.240 nan 0.000 0.544 590 K N 2.797 123.274 120.400 0.128 0.000 2.237 590 K HA 0.067 4.387 4.320 -0.000 0.000 0.283 590 K C 1.226 177.863 176.600 0.061 0.000 1.080 590 K CA -0.538 55.848 56.287 0.165 0.000 0.965 590 K CB -0.528 32.043 32.500 0.118 0.000 1.098 590 K HN 0.866 nan 8.250 nan 0.000 0.434 591 c N 2.281 120.906 118.600 0.042 0.000 2.562 591 c HA 0.525 5.094 4.570 -0.000 0.000 0.266 591 c C 0.786 174.849 174.090 -0.045 0.000 1.382 591 c CA -0.146 56.165 56.329 -0.030 0.000 1.742 591 c CB -1.405 41.086 42.510 -0.032 0.000 1.812 591 c HN 0.727 nan 8.230 nan 0.000 0.559 592 A N -0.050 122.778 122.820 0.012 0.000 2.490 592 A HA 0.469 4.789 4.320 -0.000 0.000 0.292 592 A C -1.635 175.995 177.584 0.077 0.000 1.047 592 A CA -0.312 51.729 52.037 0.007 0.000 0.632 592 A CB -0.443 18.549 19.000 -0.013 0.000 1.323 592 A HN 0.151 nan 8.150 nan 0.000 0.448 593 D N 0.548 120.982 120.400 0.058 0.000 2.426 593 D HA 0.409 5.048 4.640 -0.000 0.000 0.261 593 D C 1.369 177.743 176.300 0.123 0.000 1.245 593 D CA 2.236 56.298 54.000 0.102 0.000 0.917 593 D CB -0.015 40.818 40.800 0.056 0.000 1.123 593 D HN 2.015 nan 8.370 nan 0.000 0.508 594 G N 3.548 112.486 108.800 0.231 0.000 2.148 594 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 594 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 594 G C 0.075 174.942 174.900 -0.055 0.000 0.981 594 G CA 0.458 45.604 45.100 0.077 0.000 0.670 594 G HN 0.595 nan 8.290 nan 0.000 0.528 595 K N -0.541 119.876 120.400 0.028 0.000 2.464 595 K HA 0.734 5.054 4.320 -0.000 0.000 0.253 595 K C -0.163 176.454 176.600 0.029 0.000 0.933 595 K CA -0.574 55.698 56.287 -0.025 0.000 0.801 595 K CB 3.270 35.764 32.500 -0.009 0.000 1.271 595 K HN 0.672 nan 8.250 nan 0.000 0.430 596 V N -2.337 117.559 119.914 -0.029 0.000 3.102 596 V HA 0.521 4.641 4.120 -0.000 0.000 0.312 596 V C -0.457 175.619 176.094 -0.031 0.000 1.135 596 V CA -1.053 61.257 62.300 0.018 0.000 1.022 596 V CB 1.692 33.545 31.823 0.051 0.000 1.056 596 V HN 0.900 nan 8.190 nan 0.000 0.436 597 c N 2.288 120.873 118.600 -0.026 0.000 2.464 597 c HA 0.666 5.235 4.570 -0.000 0.000 0.370 597 c C 0.815 174.858 174.090 -0.078 0.000 1.267 597 c CA 0.281 56.588 56.329 -0.037 0.000 1.781 597 c CB -0.376 42.118 42.510 -0.026 0.000 2.431 597 c HN 0.974 nan 8.230 nan 0.000 0.556 598 S N 4.056 119.732 115.700 -0.041 0.000 2.664 598 S HA 0.357 4.827 4.470 -0.000 0.000 0.262 598 S C -0.052 174.576 174.600 0.046 0.000 1.229 598 S CA -0.369 57.805 58.200 -0.043 0.000 1.151 598 S CB -0.304 62.838 63.200 -0.097 0.000 1.054 598 S HN 0.983 nan 8.310 nan 0.000 0.483 599 N N 3.383 122.101 118.700 0.031 0.000 2.726 599 N HA -0.181 4.559 4.740 -0.000 0.000 0.253 599 N C 0.689 176.181 175.510 -0.030 0.000 1.059 599 N CA 0.541 53.621 53.050 0.050 0.000 0.701 599 N CB -1.204 37.347 38.487 0.106 0.000 0.899 599 N HN 1.306 nan 8.380 nan 0.000 0.548 600 G N 0.076 108.841 108.800 -0.060 0.000 2.175 600 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 600 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 600 G C -0.255 174.476 174.900 -0.282 0.000 0.979 600 G CA 0.944 45.950 45.100 -0.156 0.000 0.663 600 G HN 0.758 nan 8.290 nan 0.000 0.533 601 H N -1.054 118.015 119.070 -0.002 0.000 2.495 601 H HA 0.480 5.035 4.556 -0.000 0.000 0.348 601 H C -0.047 175.261 175.328 -0.034 0.000 1.113 601 H CA -0.315 55.724 56.048 -0.015 0.000 1.195 601 H CB 1.638 31.385 29.762 -0.025 0.000 1.521 601 H HN 0.206 nan 8.280 nan 0.000 0.509 602 c N 6.098 124.755 118.600 0.096 0.000 2.158 602 c HA 0.406 4.975 4.570 -0.000 0.000 0.350 602 c C 0.527 174.621 174.090 0.007 0.000 1.064 602 c CA -0.478 55.868 56.329 0.027 0.000 1.507 602 c CB -2.188 40.326 42.510 0.007 0.000 1.934 602 c HN 0.538 nan 8.230 nan 0.000 0.479 603 V N 3.176 123.074 119.914 -0.025 0.000 2.994 603 V HA 0.593 4.713 4.120 -0.000 0.000 0.318 603 V C -0.024 176.013 176.094 -0.095 0.000 1.085 603 V CA -0.639 61.622 62.300 -0.066 0.000 0.998 603 V CB 1.422 33.188 31.823 -0.096 0.000 1.063 603 V HN 0.695 nan 8.190 nan 0.000 0.447 604 D N 1.147 121.488 120.400 -0.098 0.000 2.455 604 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 604 D C 1.015 177.216 176.300 -0.164 0.000 1.138 604 D CA 0.470 54.405 54.000 -0.109 0.000 0.877 604 D CB 1.580 42.330 40.800 -0.083 0.000 1.187 604 D HN 0.411 nan 8.370 nan 0.000 0.451 605 V N 4.371 124.157 119.914 -0.214 0.000 2.287 605 V HA -0.275 3.844 4.120 -0.000 0.000 0.248 605 V C 2.449 178.463 176.094 -0.134 0.000 1.053 605 V CA 2.256 64.399 62.300 -0.262 0.000 1.027 605 V CB -1.159 30.329 31.823 -0.559 0.000 0.646 605 V HN 0.794 nan 8.190 nan 0.000 0.447 606 A N 0.522 123.281 122.820 -0.102 0.000 1.986 606 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 606 A C 2.257 179.819 177.584 -0.035 0.000 1.171 606 A CA 2.538 54.553 52.037 -0.038 0.000 0.640 606 A CB -0.766 18.214 19.000 -0.033 0.000 0.811 606 A HN 0.688 nan 8.150 nan 0.000 0.451 607 T N -4.601 109.904 114.554 -0.082 0.000 3.134 607 T HA 0.599 4.949 4.350 -0.000 0.000 0.260 607 T C 1.235 175.837 174.700 -0.163 0.000 1.027 607 T CA 0.756 62.803 62.100 -0.088 0.000 0.913 607 T CB 0.417 69.237 68.868 -0.079 0.000 1.046 607 T HN 0.431 nan 8.240 nan 0.000 0.553 608 A N 0.316 122.965 122.820 -0.285 0.000 1.975 608 A HA 0.473 4.793 4.320 -0.000 0.000 0.215 608 A C 0.236 177.362 177.584 -0.764 0.000 1.170 608 A CA 0.277 51.946 52.037 -0.613 0.000 0.656 608 A CB -0.149 18.288 19.000 -0.939 0.000 0.821 608 A HN 0.644 nan 8.150 nan 0.000 0.449 609 Y N 0.000 120.309 120.300 0.015 0.000 2.660 609 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 609 Y CA 0.000 58.123 58.100 0.039 0.000 1.940 609 Y CB 0.000 38.499 38.460 0.064 0.000 1.050 609 Y HN 0.000 nan 8.280 nan 0.000 0.758