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 3l2p_1_A DATA FIRST_RESID 168 DATA SEQUENCE HMRHKDCLLR EFRKLCAMVA DNPSYNTKTQ IIQDFLRKGX XXXXXXGDVY DATA SEQUENCE LTVKLLLPGV IKTVYNLNDK QIVKLFSRIF NCNPDDMARD LEQGDVSETI DATA SEQUENCE RVFFEQSKSF PPAAKSLLTI QEVDEFLLRL SKLTKEDEQQ QALQDIASRC DATA SEQUENCE TANDLKCIIR LIKHDLKMNS GAKHVLDALD PNAYEAFKAS RNLQDVVERV DATA SEQUENCE LHNAQEVEXX XXXXXXLSVQ ASLMTPVQPM LAEACKSVEY AMKKCPNGMF DATA SEQUENCE SEIKYDGERV QVHKNGDHFS YFSRSLKPVL PHKVAHFKDY IPQAFPGGHS DATA SEQUENCE MILDSEVLLI DNKTGKPLPF GTLGVHKKAA FQDANVCLFV FDCIYFNDVS DATA SEQUENCE LMDRPLCERR KFLHDNMVEI PNRIMFSEMK RVTKALDLAD MITRVIQEGL DATA SEQUENCE EGLVLKDVKG TYEPGKRHWL KVKKDYLNXX XMADTADLVV LGAFYGQGSK DATA SEQUENCE GGMMSIFLMG CYDPGSQKWC TVTKCAGGHD DATLARLQNE LDMVKISKXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXAAVWEI TGAEFSKSEA HTADGISIRF DATA SEQUENCE PRCTRIRDDK DWKSATNLPQ LKELYQLSK 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 168 H HA 0.000 nan 4.556 nan 0.000 0.296 168 H C 0.000 175.344 175.328 0.027 0.000 0.993 168 H CA 0.000 56.061 56.048 0.021 0.000 1.023 168 H CB 0.000 29.774 29.762 0.020 0.000 1.292 169 M N -1.452 118.165 119.600 0.028 0.000 2.502 169 M HA 0.500 4.981 4.480 0.001 0.000 0.351 169 M C 1.091 177.411 176.300 0.032 0.000 1.118 169 M CA 0.517 55.837 55.300 0.033 0.000 0.952 169 M CB 0.666 33.286 32.600 0.034 0.000 1.424 169 M HN 0.309 nan 8.290 nan 0.000 0.529 170 R N -0.250 120.266 120.500 0.027 0.000 2.468 170 R HA 0.360 4.700 4.340 0.001 0.000 0.280 170 R C 0.524 176.839 176.300 0.024 0.000 0.963 170 R CA 0.727 56.842 56.100 0.025 0.000 1.083 170 R CB -1.918 28.394 30.300 0.020 0.000 1.200 170 R HN 0.802 nan 8.270 nan 0.000 0.541 171 H N -1.565 117.521 119.070 0.026 0.000 2.603 171 H HA 0.600 5.157 4.556 0.001 0.000 0.370 171 H C 1.918 177.266 175.328 0.032 0.000 1.225 171 H CA 0.220 56.282 56.048 0.022 0.000 1.410 171 H CB 0.581 30.352 29.762 0.015 0.000 1.495 171 H HN 0.573 nan 8.280 nan 0.000 0.602 172 K N 0.412 120.827 120.400 0.024 0.000 2.147 172 K HA -0.116 4.204 4.320 0.001 0.000 0.205 172 K C 1.423 178.069 176.600 0.075 0.000 1.049 172 K CA 1.688 57.999 56.287 0.039 0.000 0.936 172 K CB -0.445 32.066 32.500 0.019 0.000 0.722 172 K HN 0.821 nan 8.250 nan 0.000 0.446 173 D N -0.503 119.933 120.400 0.060 0.000 2.378 173 D HA -0.028 4.613 4.640 0.001 0.000 0.222 173 D C 1.044 177.479 176.300 0.224 0.000 0.980 173 D CA 0.851 54.932 54.000 0.135 0.000 0.907 173 D CB -0.334 40.465 40.800 -0.003 0.000 0.899 173 D HN 0.562 nan 8.370 nan 0.000 0.527 174 C N 0.392 119.776 119.300 0.140 0.000 2.855 174 C HA 0.281 4.742 4.460 0.001 0.000 0.279 174 C C 0.538 175.586 174.990 0.098 0.000 1.270 174 C CA -0.707 58.382 59.018 0.117 0.000 1.702 174 C CB -1.049 26.736 27.740 0.076 0.000 1.949 174 C HN 0.067 nan 8.230 nan 0.000 0.618 175 L N 0.744 122.039 121.223 0.120 0.000 2.292 175 L HA 0.252 4.592 4.340 0.001 0.000 0.284 175 L C 1.292 178.235 176.870 0.122 0.000 1.065 175 L CA 0.130 55.028 54.840 0.096 0.000 0.806 175 L CB 0.422 42.533 42.059 0.086 0.000 1.175 175 L HN 0.169 nan 8.230 nan 0.000 0.431 176 L N 2.234 123.503 121.223 0.077 0.000 2.085 176 L HA -0.333 4.007 4.340 0.001 0.000 0.218 176 L C 2.613 179.573 176.870 0.150 0.000 1.080 176 L CA 1.682 56.583 54.840 0.102 0.000 0.776 176 L CB -0.203 41.881 42.059 0.041 0.000 0.891 176 L HN 0.788 nan 8.230 nan 0.000 0.437 177 R N -0.358 120.205 120.500 0.106 0.000 2.083 177 R HA -0.206 4.135 4.340 0.001 0.000 0.237 177 R C 2.167 178.532 176.300 0.110 0.000 1.137 177 R CA 1.666 57.821 56.100 0.091 0.000 0.951 177 R CB -0.015 30.326 30.300 0.067 0.000 0.851 177 R HN 0.305 nan 8.270 nan 0.000 0.434 178 E N 0.028 120.317 120.200 0.147 0.000 2.047 178 E HA -0.195 4.156 4.350 0.001 0.000 0.191 178 E C 1.681 178.358 176.600 0.128 0.000 0.987 178 E CA 1.012 57.526 56.400 0.190 0.000 0.799 178 E CB -0.493 29.385 29.700 0.296 0.000 0.752 178 E HN 0.320 nan 8.360 nan 0.000 0.449 179 F N 1.949 121.897 119.950 -0.003 0.000 2.091 179 F HA -0.246 4.282 4.527 0.001 0.000 0.299 179 F C 2.614 178.359 175.800 -0.091 0.000 1.103 179 F CA 2.049 59.990 58.000 -0.098 0.000 1.228 179 F CB -0.044 38.917 39.000 -0.065 0.000 0.984 179 F HN -0.078 nan 8.300 nan 0.000 0.477 180 R N 0.297 120.850 120.500 0.088 0.000 2.081 180 R HA -0.193 4.147 4.340 0.001 0.000 0.235 180 R C 2.269 178.514 176.300 -0.091 0.000 1.131 180 R CA 1.675 57.776 56.100 0.001 0.000 0.960 180 R CB -0.278 30.064 30.300 0.070 0.000 0.856 180 R HN 0.093 nan 8.270 nan 0.000 0.436 181 K N 0.654 121.027 120.400 -0.045 0.000 2.034 181 K HA -0.183 4.137 4.320 0.001 0.000 0.214 181 K C 1.976 178.505 176.600 -0.119 0.000 1.051 181 K CA 1.831 58.093 56.287 -0.042 0.000 0.931 181 K CB -0.468 32.048 32.500 0.027 0.000 0.715 181 K HN 0.186 nan 8.250 nan 0.000 0.446 182 L N -0.099 120.980 121.223 -0.239 0.000 2.012 182 L HA -0.316 4.025 4.340 0.001 0.000 0.210 182 L C 2.214 178.870 176.870 -0.357 0.000 1.073 182 L CA 1.523 56.137 54.840 -0.377 0.000 0.748 182 L CB -0.243 41.385 42.059 -0.718 0.000 0.891 182 L HN 0.398 nan 8.230 nan 0.000 0.431 183 C N -0.895 118.150 119.300 -0.426 0.000 2.440 183 C HA -0.092 4.369 4.460 0.001 0.000 0.278 183 C C 3.021 177.908 174.990 -0.171 0.000 1.295 183 C CA 0.606 59.430 59.018 -0.323 0.000 1.738 183 C CB -1.054 26.494 27.740 -0.319 0.000 1.987 183 C HN 0.669 nan 8.230 nan 0.000 0.492 184 A N 0.026 122.768 122.820 -0.130 0.000 1.930 184 A HA -0.136 4.184 4.320 0.001 0.000 0.217 184 A C 2.165 179.709 177.584 -0.067 0.000 1.175 184 A CA 1.587 53.581 52.037 -0.073 0.000 0.627 184 A CB -0.496 18.476 19.000 -0.048 0.000 0.815 184 A HN 0.594 nan 8.150 nan 0.000 0.443 185 M N -0.868 118.684 119.600 -0.080 0.000 2.077 185 M HA -0.122 4.358 4.480 0.001 0.000 0.261 185 M C 2.165 178.429 176.300 -0.059 0.000 1.070 185 M CA 1.450 56.715 55.300 -0.058 0.000 1.125 185 M CB -0.550 32.019 32.600 -0.051 0.000 1.339 185 M HN 0.240 nan 8.290 nan 0.000 0.409 186 V N 0.724 120.587 119.914 -0.085 0.000 2.324 186 V HA -0.299 3.821 4.120 0.001 0.000 0.250 186 V C 2.608 178.672 176.094 -0.050 0.000 1.060 186 V CA 2.142 64.398 62.300 -0.073 0.000 1.042 186 V CB -1.245 30.514 31.823 -0.107 0.000 0.650 186 V HN 0.549 nan 8.190 nan 0.000 0.450 187 A N -0.264 122.524 122.820 -0.053 0.000 1.969 187 A HA -0.173 4.147 4.320 0.001 0.000 0.218 187 A C 1.648 179.217 177.584 -0.025 0.000 1.169 187 A CA 1.702 53.720 52.037 -0.032 0.000 0.635 187 A CB -0.438 18.542 19.000 -0.032 0.000 0.810 187 A HN 0.555 nan 8.150 nan 0.000 0.445 188 D N -0.102 120.280 120.400 -0.030 0.000 2.325 188 D HA 0.084 4.725 4.640 0.001 0.000 0.234 188 D C -0.126 176.158 176.300 -0.026 0.000 1.122 188 D CA 0.270 54.255 54.000 -0.024 0.000 0.850 188 D CB -0.435 40.351 40.800 -0.023 0.000 0.921 188 D HN 0.516 nan 8.370 nan 0.000 0.513 189 N N 0.596 119.279 118.700 -0.028 0.000 2.609 189 N HA 0.099 4.839 4.740 0.001 0.000 0.268 189 N C -2.137 173.348 175.510 -0.040 0.000 1.106 189 N CA -1.489 51.542 53.050 -0.031 0.000 0.823 189 N CB 2.094 40.565 38.487 -0.027 0.000 1.263 189 N HN -0.235 nan 8.380 nan 0.000 0.533 190 P HA -0.074 nan 4.420 nan 0.000 0.222 190 P C 0.541 177.729 177.300 -0.188 0.000 1.153 190 P CA 0.647 63.685 63.100 -0.102 0.000 0.798 190 P CB 0.157 31.799 31.700 -0.097 0.000 0.796 191 S N -0.591 115.020 115.700 -0.148 0.000 2.488 191 S HA 0.064 4.535 4.470 0.001 0.000 0.278 191 S C 1.081 175.621 174.600 -0.101 0.000 1.259 191 S CA -0.476 57.619 58.200 -0.175 0.000 1.061 191 S CB -0.419 62.722 63.200 -0.098 0.000 0.910 191 S HN 0.089 nan 8.310 nan 0.000 0.491 192 Y N 3.830 124.026 120.300 -0.174 0.000 2.165 192 Y HA -0.228 4.323 4.550 0.001 0.000 0.286 192 Y C 2.422 178.245 175.900 -0.129 0.000 1.155 192 Y CA 1.145 59.064 58.100 -0.301 0.000 1.164 192 Y CB -0.391 37.716 38.460 -0.588 0.000 0.978 192 Y HN 0.588 nan 8.280 nan 0.000 0.513 193 N N -0.195 118.562 118.700 0.095 0.000 2.060 193 N HA -0.201 4.540 4.740 0.001 0.000 0.195 193 N C 1.989 177.528 175.510 0.049 0.000 1.028 193 N CA 2.409 55.505 53.050 0.077 0.000 0.861 193 N CB -0.785 37.730 38.487 0.046 0.000 1.029 193 N HN 0.469 nan 8.380 nan 0.000 0.428 194 T N -1.996 112.572 114.554 0.022 0.000 2.942 194 T HA 0.064 4.415 4.350 0.001 0.000 0.265 194 T C 1.709 176.416 174.700 0.011 0.000 1.062 194 T CA 0.748 62.855 62.100 0.012 0.000 1.139 194 T CB -0.030 68.837 68.868 -0.002 0.000 0.883 194 T HN 0.066 nan 8.240 nan 0.000 0.468 195 K N 0.711 121.117 120.400 0.011 0.000 2.001 195 K HA -0.144 4.176 4.320 0.001 0.000 0.214 195 K C 2.742 179.344 176.600 0.002 0.000 1.050 195 K CA 2.116 58.402 56.287 -0.002 0.000 0.934 195 K CB -0.730 31.766 32.500 -0.007 0.000 0.718 195 K HN 0.503 nan 8.250 nan 0.000 0.443 196 T N -0.137 114.434 114.554 0.029 0.000 2.821 196 T HA -0.213 4.138 4.350 0.001 0.000 0.267 196 T C 2.016 176.734 174.700 0.030 0.000 1.046 196 T CA 1.594 63.715 62.100 0.036 0.000 1.139 196 T CB -0.098 68.813 68.868 0.072 0.000 0.871 196 T HN 0.162 nan 8.240 nan 0.000 0.454 197 Q N 0.633 120.453 119.800 0.034 0.000 2.061 197 Q HA -0.086 4.255 4.340 0.001 0.000 0.204 197 Q C 2.163 178.183 176.000 0.033 0.000 0.984 197 Q CA 2.005 57.828 55.803 0.032 0.000 0.846 197 Q CB -0.532 28.223 28.738 0.027 0.000 0.902 197 Q HN 0.600 nan 8.270 nan 0.000 0.421 198 I N 0.793 121.377 120.570 0.022 0.000 2.053 198 I HA -0.318 3.852 4.170 0.001 0.000 0.236 198 I C 2.235 178.379 176.117 0.046 0.000 1.038 198 I CA 1.404 62.719 61.300 0.025 0.000 1.304 198 I CB -1.745 36.251 38.000 -0.006 0.000 1.023 198 I HN 0.277 nan 8.210 nan 0.000 0.395 199 I N 0.658 121.232 120.570 0.007 0.000 2.145 199 I HA -0.361 3.810 4.170 0.001 0.000 0.244 199 I C 2.692 178.865 176.117 0.094 0.000 1.075 199 I CA 1.835 63.139 61.300 0.007 0.000 1.332 199 I CB -1.667 36.313 38.000 -0.034 0.000 1.033 199 I HN 0.463 nan 8.210 nan 0.000 0.410 200 Q N 0.960 120.801 119.800 0.067 0.000 2.077 200 Q HA -0.249 4.091 4.340 0.001 0.000 0.206 200 Q C 1.881 177.934 176.000 0.088 0.000 0.989 200 Q CA 2.334 58.180 55.803 0.071 0.000 0.853 200 Q CB 0.023 28.790 28.738 0.048 0.000 0.907 200 Q HN 0.464 nan 8.270 nan 0.000 0.418 201 D N -0.157 120.294 120.400 0.085 0.000 2.087 201 D HA -0.200 4.441 4.640 0.001 0.000 0.192 201 D C 1.548 177.906 176.300 0.096 0.000 0.993 201 D CA 1.313 55.356 54.000 0.072 0.000 0.828 201 D CB -0.620 40.218 40.800 0.063 0.000 0.968 201 D HN 0.326 nan 8.370 nan 0.000 0.448 202 F N 0.831 120.777 119.950 -0.007 0.000 2.091 202 F HA -0.236 4.292 4.527 0.001 0.000 0.299 202 F C 1.913 177.716 175.800 0.005 0.000 1.103 202 F CA 1.044 59.041 58.000 -0.005 0.000 1.228 202 F CB -0.033 38.957 39.000 -0.016 0.000 0.984 202 F HN -0.095 nan 8.300 nan 0.000 0.477 203 L N 0.368 121.791 121.223 0.333 0.000 2.549 203 L HA -0.071 4.270 4.340 0.001 0.000 0.229 203 L C 2.006 178.914 176.870 0.063 0.000 1.158 203 L CA 1.346 56.311 54.840 0.208 0.000 0.842 203 L CB -0.925 41.240 42.059 0.176 0.000 0.952 203 L HN 0.176 nan 8.230 nan 0.000 0.452 204 R N -2.001 118.513 120.500 0.024 0.000 2.225 204 R HA 0.129 4.470 4.340 0.001 0.000 0.194 204 R C 1.729 178.004 176.300 -0.041 0.000 0.949 204 R CA 0.154 56.253 56.100 -0.001 0.000 1.088 204 R CB 0.394 30.703 30.300 0.014 0.000 1.106 204 R HN 0.220 nan 8.270 nan 0.000 0.566 205 K N -0.266 120.090 120.400 -0.073 0.000 2.218 205 K HA 0.293 4.614 4.320 0.001 0.000 0.214 205 K C 0.698 177.199 176.600 -0.165 0.000 1.033 205 K CA 0.793 57.025 56.287 -0.092 0.000 0.949 205 K CB 0.678 33.139 32.500 -0.066 0.000 0.993 205 K HN 0.185 nan 8.250 nan 0.000 0.464 215 D N 1.334 121.801 120.400 0.113 0.000 2.343 215 D HA 0.232 4.873 4.640 0.001 0.000 0.255 215 D C 1.339 177.720 176.300 0.135 0.000 1.187 215 D CA -0.212 53.857 54.000 0.115 0.000 0.875 215 D CB 1.914 42.774 40.800 0.101 0.000 1.136 215 D HN 0.006 nan 8.370 nan 0.000 0.469 216 V N 5.130 125.127 119.914 0.138 0.000 2.300 216 V HA -0.222 3.899 4.120 0.001 0.000 0.241 216 V C 2.022 178.204 176.094 0.147 0.000 1.034 216 V CA 0.911 63.296 62.300 0.142 0.000 1.021 216 V CB -0.983 30.919 31.823 0.131 0.000 0.662 216 V HN 0.651 nan 8.190 nan 0.000 0.458 217 Y N 0.894 121.226 120.300 0.052 0.000 2.102 217 Y HA -0.285 4.266 4.550 0.001 0.000 0.280 217 Y C 2.148 178.072 175.900 0.041 0.000 1.178 217 Y CA 1.800 59.923 58.100 0.039 0.000 1.146 217 Y CB -0.423 38.058 38.460 0.034 0.000 0.968 217 Y HN 0.138 nan 8.280 nan 0.000 0.504 218 L N -0.864 120.278 121.223 -0.136 0.000 2.131 218 L HA -0.145 4.196 4.340 0.001 0.000 0.206 218 L C 2.473 179.258 176.870 -0.142 0.000 1.087 218 L CA 1.530 56.225 54.840 -0.242 0.000 0.767 218 L CB -0.812 41.191 42.059 -0.094 0.000 0.917 218 L HN 0.345 nan 8.230 nan 0.000 0.441 219 T N -3.249 111.305 114.554 -0.001 0.000 2.821 219 T HA -0.120 4.231 4.350 0.001 0.000 0.267 219 T C 1.813 176.554 174.700 0.068 0.000 1.046 219 T CA 0.999 63.167 62.100 0.114 0.000 1.139 219 T CB -0.659 68.295 68.868 0.142 0.000 0.871 219 T HN 0.062 nan 8.240 nan 0.000 0.454 220 V N 1.656 121.559 119.914 -0.019 0.000 2.427 220 V HA -0.080 4.040 4.120 0.001 0.000 0.248 220 V C 2.807 178.839 176.094 -0.104 0.000 1.051 220 V CA 1.657 63.925 62.300 -0.053 0.000 1.048 220 V CB -0.595 31.204 31.823 -0.040 0.000 0.666 220 V HN 0.503 nan 8.190 nan 0.000 0.456 221 K N -0.267 119.998 120.400 -0.224 0.000 2.001 221 K HA -0.162 4.158 4.320 0.001 0.000 0.208 221 K C 2.063 178.599 176.600 -0.107 0.000 1.048 221 K CA 1.403 57.539 56.287 -0.251 0.000 0.932 221 K CB -0.147 32.029 32.500 -0.540 0.000 0.715 221 K HN 0.250 nan 8.250 nan 0.000 0.437 222 L N 1.415 122.586 121.223 -0.087 0.000 2.201 222 L HA -0.078 4.263 4.340 0.001 0.000 0.212 222 L C 2.043 179.049 176.870 0.228 0.000 1.105 222 L CA 1.205 56.031 54.840 -0.023 0.000 0.775 222 L CB -0.536 41.320 42.059 -0.338 0.000 0.913 222 L HN 0.231 nan 8.230 nan 0.000 0.440 223 L N -1.208 120.141 121.223 0.209 0.000 2.362 223 L HA -0.111 4.229 4.340 0.001 0.000 0.219 223 L C 0.685 177.582 176.870 0.046 0.000 1.134 223 L CA 0.650 55.562 54.840 0.121 0.000 0.807 223 L CB -0.061 41.994 42.059 -0.006 0.000 0.927 223 L HN 0.180 nan 8.230 nan 0.000 0.447 224 L N 0.638 121.877 121.223 0.027 0.000 2.892 224 L HA 0.200 4.541 4.340 0.001 0.000 0.251 224 L C -1.314 175.590 176.870 0.057 0.000 1.339 224 L CA -0.911 53.938 54.840 0.015 0.000 0.900 224 L CB 0.366 42.401 42.059 -0.040 0.000 1.246 224 L HN -0.122 nan 8.230 nan 0.000 0.524 225 P HA -0.147 nan 4.420 nan 0.000 0.221 225 P C 1.212 178.623 177.300 0.185 0.000 1.145 225 P CA 1.218 64.407 63.100 0.149 0.000 0.795 225 P CB 0.367 32.162 31.700 0.158 0.000 0.775 226 G N -1.097 107.782 108.800 0.132 0.000 3.088 226 G HA2 0.181 4.141 3.960 0.001 0.000 0.217 226 G HA3 0.181 4.141 3.960 0.001 0.000 0.217 226 G C 1.201 176.141 174.900 0.067 0.000 1.159 226 G CA 0.068 45.234 45.100 0.111 0.000 0.760 226 G HN 0.204 nan 8.290 nan 0.000 0.550 227 V N 0.410 120.370 119.914 0.075 0.000 3.137 227 V HA 0.299 4.420 4.120 0.001 0.000 0.236 227 V C 0.381 176.546 176.094 0.117 0.000 1.260 227 V CA 0.256 62.615 62.300 0.099 0.000 1.244 227 V CB 0.554 32.432 31.823 0.091 0.000 1.016 227 V HN 0.091 nan 8.190 nan 0.000 0.477 228 I N 2.642 123.269 120.570 0.094 0.000 2.317 228 I HA 0.303 4.473 4.170 0.001 0.000 0.286 228 I C 0.120 176.281 176.117 0.074 0.000 1.119 228 I CA 0.017 61.377 61.300 0.098 0.000 1.228 228 I CB -0.005 38.046 38.000 0.085 0.000 1.476 228 I HN 0.172 nan 8.210 nan 0.000 0.514 229 K N 4.297 124.719 120.400 0.036 0.000 2.234 229 K HA 0.568 4.889 4.320 0.001 0.000 0.282 229 K C 0.448 177.017 176.600 -0.051 0.000 1.039 229 K CA -0.158 56.119 56.287 -0.018 0.000 0.928 229 K CB 1.450 33.867 32.500 -0.138 0.000 1.039 229 K HN 0.654 nan 8.250 nan 0.000 0.470 230 T N 1.025 115.530 114.554 -0.081 0.000 2.797 230 T HA 0.311 4.662 4.350 0.001 0.000 0.279 230 T C -0.223 174.135 174.700 -0.569 0.000 0.991 230 T CA -0.653 61.280 62.100 -0.278 0.000 0.979 230 T CB 0.897 69.629 68.868 -0.227 0.000 0.943 230 T HN 0.213 nan 8.240 nan 0.000 0.444 231 V N 4.113 123.770 119.914 -0.429 0.000 2.455 231 V HA 0.205 4.325 4.120 0.001 0.000 0.273 231 V C -0.079 175.751 176.094 -0.441 0.000 1.045 231 V CA 0.311 62.406 62.300 -0.342 0.000 0.976 231 V CB 0.111 31.843 31.823 -0.151 0.000 0.993 231 V HN 0.988 nan 8.190 nan 0.000 0.475 232 Y N 3.006 123.361 120.300 0.091 0.000 2.442 232 Y HA 0.233 4.784 4.550 0.001 0.000 0.250 232 Y C 1.548 177.452 175.900 0.008 0.000 1.113 232 Y CA -0.431 57.679 58.100 0.018 0.000 1.273 232 Y CB 0.201 38.654 38.460 -0.011 0.000 1.138 232 Y HN 0.719 nan 8.280 nan 0.000 0.522 233 N N 0.510 119.284 118.700 0.124 0.000 2.741 233 N HA -0.160 4.581 4.740 0.001 0.000 0.251 233 N C -1.111 174.448 175.510 0.082 0.000 1.112 233 N CA 0.617 53.716 53.050 0.081 0.000 0.750 233 N CB -0.986 37.529 38.487 0.048 0.000 1.119 233 N HN 0.123 nan 8.380 nan 0.000 0.561 234 L N 0.482 121.777 121.223 0.121 0.000 2.333 234 L HA 0.591 4.931 4.340 0.001 0.000 0.269 234 L C 0.510 177.431 176.870 0.086 0.000 1.010 234 L CA -0.238 54.647 54.840 0.075 0.000 0.818 234 L CB 1.724 43.812 42.059 0.049 0.000 1.306 234 L HN 0.140 nan 8.230 nan 0.000 0.430 235 N N -0.487 118.247 118.700 0.056 0.000 3.116 235 N HA 0.089 4.830 4.740 0.001 0.000 0.244 235 N C -0.371 175.165 175.510 0.044 0.000 1.485 235 N CA -0.509 52.578 53.050 0.062 0.000 0.884 235 N CB 1.488 40.020 38.487 0.074 0.000 1.415 235 N HN 0.510 nan 8.380 nan 0.000 0.524 236 D N 1.095 121.523 120.400 0.047 0.000 2.370 236 D HA -0.320 4.320 4.640 0.001 0.000 0.190 236 D C 1.976 178.292 176.300 0.025 0.000 1.019 236 D CA 3.138 57.161 54.000 0.038 0.000 0.869 236 D CB -0.552 40.272 40.800 0.039 0.000 0.944 236 D HN 0.706 nan 8.370 nan 0.000 0.456 237 K N 0.788 121.202 120.400 0.024 0.000 1.977 237 K HA -0.232 4.089 4.320 0.001 0.000 0.218 237 K C 2.153 178.750 176.600 -0.005 0.000 1.051 237 K CA 1.953 58.247 56.287 0.012 0.000 0.953 237 K CB -1.288 31.223 32.500 0.018 0.000 0.727 237 K HN 0.169 nan 8.250 nan 0.000 0.445 238 Q N -0.039 119.755 119.800 -0.010 0.000 2.096 238 Q HA -0.068 4.273 4.340 0.001 0.000 0.204 238 Q C 2.342 178.296 176.000 -0.078 0.000 0.982 238 Q CA 1.707 57.487 55.803 -0.039 0.000 0.850 238 Q CB -0.449 28.270 28.738 -0.032 0.000 0.901 238 Q HN 0.695 nan 8.270 nan 0.000 0.422 239 I N -0.122 120.417 120.570 -0.052 0.000 2.194 239 I HA -0.288 3.882 4.170 0.001 0.000 0.246 239 I C 2.341 178.453 176.117 -0.007 0.000 1.093 239 I CA 0.948 62.215 61.300 -0.055 0.000 1.355 239 I CB -0.358 37.680 38.000 0.062 0.000 1.046 239 I HN -0.011 nan 8.210 nan 0.000 0.413 240 V N 0.720 120.645 119.914 0.017 0.000 2.358 240 V HA -0.300 3.821 4.120 0.001 0.000 0.246 240 V C 2.516 178.596 176.094 -0.024 0.000 1.047 240 V CA 1.949 64.259 62.300 0.015 0.000 1.035 240 V CB -0.607 31.204 31.823 -0.019 0.000 0.658 240 V HN 0.417 nan 8.190 nan 0.000 0.452 241 K N -0.319 120.050 120.400 -0.052 0.000 2.009 241 K HA -0.212 4.108 4.320 0.001 0.000 0.210 241 K C 2.027 178.563 176.600 -0.108 0.000 1.049 241 K CA 1.701 57.950 56.287 -0.063 0.000 0.929 241 K CB -0.190 32.274 32.500 -0.059 0.000 0.714 241 K HN 0.261 nan 8.250 nan 0.000 0.440 242 L N 0.097 121.200 121.223 -0.201 0.000 2.217 242 L HA -0.031 4.310 4.340 0.001 0.000 0.211 242 L C 1.882 178.510 176.870 -0.404 0.000 1.107 242 L CA 1.509 56.151 54.840 -0.329 0.000 0.783 242 L CB -0.452 41.328 42.059 -0.466 0.000 0.919 242 L HN 0.184 nan 8.230 nan 0.000 0.442 243 F N -1.232 118.587 119.950 -0.218 0.000 2.569 243 F HA -0.075 4.452 4.527 0.001 0.000 0.295 243 F C 2.579 178.184 175.800 -0.325 0.000 1.115 243 F CA 0.558 58.300 58.000 -0.430 0.000 1.450 243 F CB -0.154 38.568 39.000 -0.464 0.000 1.107 243 F HN 0.132 nan 8.300 nan 0.000 0.563 244 S N 0.474 116.210 115.700 0.060 0.000 2.447 244 S HA -0.124 4.346 4.470 0.001 0.000 0.233 244 S C 1.959 176.608 174.600 0.081 0.000 1.006 244 S CA 0.569 58.837 58.200 0.114 0.000 0.957 244 S CB -0.304 62.928 63.200 0.054 0.000 0.773 244 S HN 0.337 nan 8.310 nan 0.000 0.507 245 R N 0.875 121.373 120.500 -0.005 0.000 2.100 245 R HA 0.199 4.539 4.340 0.001 0.000 0.220 245 R C 2.547 178.849 176.300 0.003 0.000 1.091 245 R CA 1.390 57.485 56.100 -0.008 0.000 0.986 245 R CB -0.606 29.663 30.300 -0.053 0.000 0.888 245 R HN 0.733 nan 8.270 nan 0.000 0.444 246 I N -2.539 117.994 120.570 -0.061 0.000 2.716 246 I HA -0.029 4.141 4.170 0.001 0.000 0.259 246 I C 1.497 177.690 176.117 0.126 0.000 1.172 246 I CA 1.275 62.557 61.300 -0.030 0.000 1.478 246 I CB -0.177 37.764 38.000 -0.098 0.000 1.104 246 I HN -0.074 nan 8.210 nan 0.000 0.439 247 F N 1.951 122.007 119.950 0.177 0.000 2.664 247 F HA 0.161 4.688 4.527 0.001 0.000 0.296 247 F C 1.875 177.754 175.800 0.131 0.000 1.125 247 F CA 0.491 58.596 58.000 0.174 0.000 1.444 247 F CB -0.377 38.752 39.000 0.214 0.000 1.114 247 F HN 0.430 nan 8.300 nan 0.000 0.576 248 N N 0.063 118.926 118.700 0.273 0.000 2.776 248 N HA -0.229 4.512 4.740 0.001 0.000 0.250 248 N C -0.096 175.518 175.510 0.172 0.000 1.112 248 N CA 0.696 53.851 53.050 0.175 0.000 0.733 248 N CB -2.635 35.934 38.487 0.137 0.000 1.097 248 N HN 0.518 nan 8.380 nan 0.000 0.558 249 C N -1.804 117.630 119.300 0.222 0.000 2.668 249 C HA 0.852 5.313 4.460 0.001 0.000 0.355 249 C C 0.443 175.535 174.990 0.169 0.000 1.277 249 C CA -1.420 57.726 59.018 0.214 0.000 1.787 249 C CB 1.669 29.601 27.740 0.321 0.000 2.233 249 C HN 0.716 nan 8.230 nan 0.000 0.495 250 N N 2.210 121.008 118.700 0.162 0.000 2.411 250 N HA 0.290 5.031 4.740 0.001 0.000 0.259 250 N C -1.438 174.113 175.510 0.068 0.000 1.103 250 N CA -1.391 51.723 53.050 0.107 0.000 0.954 250 N CB 1.312 39.859 38.487 0.101 0.000 1.085 250 N HN 0.580 nan 8.380 nan 0.000 0.485 251 P HA -0.004 nan 4.420 nan 0.000 0.237 251 P C 0.216 177.497 177.300 -0.032 0.000 1.178 251 P CA 0.567 63.654 63.100 -0.022 0.000 0.766 251 P CB 0.627 32.322 31.700 -0.008 0.000 0.876 252 D N 0.650 121.052 120.400 0.003 0.000 2.149 252 D HA -0.113 4.527 4.640 0.001 0.000 0.201 252 D C 1.301 177.607 176.300 0.010 0.000 0.972 252 D CA 1.132 55.138 54.000 0.010 0.000 0.835 252 D CB -0.428 40.389 40.800 0.029 0.000 0.966 252 D HN 0.191 nan 8.370 nan 0.000 0.476 253 D N -0.056 120.367 120.400 0.038 0.000 2.117 253 D HA -0.063 4.577 4.640 0.001 0.000 0.198 253 D C 2.089 178.389 176.300 -0.001 0.000 0.982 253 D CA 0.688 54.757 54.000 0.115 0.000 0.828 253 D CB -0.127 40.865 40.800 0.320 0.000 0.967 253 D HN 0.136 nan 8.370 nan 0.000 0.464 254 M N 0.498 119.902 119.600 -0.328 0.000 2.149 254 M HA -0.142 4.339 4.480 0.001 0.000 0.261 254 M C 2.226 178.413 176.300 -0.188 0.000 1.064 254 M CA 1.334 56.328 55.300 -0.509 0.000 1.102 254 M CB -0.198 32.041 32.600 -0.603 0.000 1.369 254 M HN 0.072 nan 8.290 nan 0.000 0.408 255 A N 0.112 122.867 122.820 -0.108 0.000 1.898 255 A HA -0.136 4.184 4.320 0.001 0.000 0.216 255 A C 2.197 179.754 177.584 -0.045 0.000 1.181 255 A CA 1.356 53.361 52.037 -0.053 0.000 0.620 255 A CB -0.574 18.412 19.000 -0.023 0.000 0.819 255 A HN 0.374 nan 8.150 nan 0.000 0.442 256 R N -0.702 119.781 120.500 -0.029 0.000 2.096 256 R HA -0.166 4.175 4.340 0.001 0.000 0.235 256 R C 1.655 177.917 176.300 -0.064 0.000 1.127 256 R CA 1.748 57.827 56.100 -0.035 0.000 0.968 256 R CB -0.430 29.876 30.300 0.009 0.000 0.861 256 R HN 0.592 nan 8.270 nan 0.000 0.440 257 D N 0.402 120.791 120.400 -0.018 0.000 2.264 257 D HA -0.063 4.578 4.640 0.001 0.000 0.208 257 D C 1.722 177.996 176.300 -0.044 0.000 0.966 257 D CA 0.444 54.447 54.000 0.004 0.000 0.864 257 D CB 0.070 40.936 40.800 0.109 0.000 0.933 257 D HN 0.104 nan 8.370 nan 0.000 0.499 258 L N 0.331 121.514 121.223 -0.066 0.000 2.450 258 L HA -0.086 4.254 4.340 0.001 0.000 0.224 258 L C 1.589 178.393 176.870 -0.111 0.000 1.149 258 L CA 0.891 55.695 54.840 -0.060 0.000 0.816 258 L CB -0.223 41.813 42.059 -0.037 0.000 0.932 258 L HN 0.158 nan 8.230 nan 0.000 0.449 259 E N -0.762 119.300 120.200 -0.231 0.000 2.358 259 E HA -0.183 4.168 4.350 0.001 0.000 0.195 259 E C 1.793 178.185 176.600 -0.347 0.000 1.010 259 E CA 0.309 56.400 56.400 -0.516 0.000 0.856 259 E CB 0.141 29.225 29.700 -1.026 0.000 0.795 259 E HN 0.398 nan 8.360 nan 0.000 0.504 260 Q N -0.191 119.509 119.800 -0.167 0.000 2.378 260 Q HA 0.070 4.410 4.340 0.001 0.000 0.205 260 Q C 0.858 176.844 176.000 -0.023 0.000 0.954 260 Q CA 0.840 56.601 55.803 -0.071 0.000 0.901 260 Q CB 0.512 29.231 28.738 -0.032 0.000 0.981 260 Q HN 0.338 nan 8.270 nan 0.000 0.483 261 G N 1.105 109.891 108.800 -0.023 0.000 2.303 261 G HA2 -0.175 3.786 3.960 0.001 0.000 0.260 261 G HA3 -0.175 3.786 3.960 0.001 0.000 0.260 261 G C -0.799 174.115 174.900 0.023 0.000 1.106 261 G CA 0.142 45.250 45.100 0.013 0.000 0.900 261 G HN 0.244 nan 8.290 nan 0.000 0.495 262 D N -0.665 119.746 120.400 0.019 0.000 2.300 262 D HA 0.264 4.905 4.640 0.001 0.000 0.218 262 D C 1.207 177.523 176.300 0.027 0.000 1.326 262 D CA 0.132 54.148 54.000 0.027 0.000 0.942 262 D CB 0.955 41.771 40.800 0.027 0.000 1.495 262 D HN 0.273 nan 8.370 nan 0.000 0.545 263 V N 2.529 122.461 119.914 0.030 0.000 2.343 263 V HA -0.190 3.930 4.120 0.001 0.000 0.247 263 V C 2.555 178.668 176.094 0.032 0.000 1.051 263 V CA 2.075 64.394 62.300 0.032 0.000 1.036 263 V CB -1.122 30.726 31.823 0.041 0.000 0.654 263 V HN 0.657 nan 8.190 nan 0.000 0.451 264 S N 1.089 116.805 115.700 0.025 0.000 2.359 264 S HA -0.344 4.126 4.470 0.001 0.000 0.223 264 S C 1.937 176.550 174.600 0.022 0.000 1.039 264 S CA 1.881 60.089 58.200 0.014 0.000 1.042 264 S CB -0.598 62.610 63.200 0.015 0.000 0.915 264 S HN 0.595 nan 8.310 nan 0.000 0.439 265 E N 1.565 121.784 120.200 0.032 0.000 2.058 265 E HA -0.099 4.251 4.350 0.001 0.000 0.194 265 E C 2.156 178.799 176.600 0.071 0.000 0.997 265 E CA 2.087 58.513 56.400 0.043 0.000 0.801 265 E CB -1.233 28.489 29.700 0.036 0.000 0.746 265 E HN 0.561 nan 8.360 nan 0.000 0.450 266 T N 1.200 115.798 114.554 0.073 0.000 2.699 266 T HA -0.150 4.201 4.350 0.001 0.000 0.268 266 T C 1.700 176.501 174.700 0.169 0.000 1.036 266 T CA 1.417 63.586 62.100 0.116 0.000 1.147 266 T CB -0.189 68.707 68.868 0.045 0.000 0.862 266 T HN 0.112 nan 8.240 nan 0.000 0.446 267 I N 1.588 122.213 120.570 0.092 0.000 2.163 267 I HA -0.150 4.020 4.170 0.001 0.000 0.240 267 I C 3.205 179.390 176.117 0.114 0.000 1.081 267 I CA 1.646 62.996 61.300 0.083 0.000 1.353 267 I CB -1.650 36.295 38.000 -0.092 0.000 1.054 267 I HN 0.233 nan 8.210 nan 0.000 0.407 268 R N 0.714 121.258 120.500 0.075 0.000 2.096 268 R HA -0.165 4.176 4.340 0.001 0.000 0.240 268 R C 2.355 178.722 176.300 0.112 0.000 1.139 268 R CA 2.051 58.218 56.100 0.111 0.000 0.952 268 R CB -1.876 28.470 30.300 0.076 0.000 0.854 268 R HN 0.333 nan 8.270 nan 0.000 0.436 269 V N -0.124 119.847 119.914 0.095 0.000 2.252 269 V HA -0.183 3.937 4.120 0.001 0.000 0.249 269 V C 2.058 178.109 176.094 -0.071 0.000 1.056 269 V CA 1.767 64.078 62.300 0.018 0.000 1.022 269 V CB -0.657 31.194 31.823 0.045 0.000 0.641 269 V HN 0.571 nan 8.190 nan 0.000 0.445 270 F N -0.998 118.906 119.950 -0.077 0.000 2.716 270 F HA 0.127 4.654 4.527 0.001 0.000 0.301 270 F C 1.482 176.973 175.800 -0.514 0.000 1.210 270 F CA 0.222 58.113 58.000 -0.182 0.000 1.422 270 F CB -0.277 38.703 39.000 -0.033 0.000 1.073 270 F HN 0.117 nan 8.300 nan 0.000 0.525 271 F N 0.692 120.378 119.950 -0.440 0.000 2.717 271 F HA 0.101 4.628 4.527 0.001 0.000 0.297 271 F C 2.195 177.760 175.800 -0.392 0.000 1.113 271 F CA 0.305 57.944 58.000 -0.600 0.000 1.319 271 F CB -0.009 38.831 39.000 -0.266 0.000 1.097 271 F HN 0.066 nan 8.300 nan 0.000 0.595 272 E N -0.528 119.485 120.200 -0.312 0.000 2.216 272 E HA -0.131 4.220 4.350 0.001 0.000 0.192 272 E C 1.638 178.075 176.600 -0.272 0.000 0.973 272 E CA 0.556 56.764 56.400 -0.321 0.000 0.851 272 E CB -0.622 28.936 29.700 -0.238 0.000 0.804 272 E HN 0.285 nan 8.360 nan 0.000 0.477 273 Q N 1.605 121.237 119.800 -0.281 0.000 2.217 273 Q HA -0.044 4.297 4.340 0.001 0.000 0.209 273 Q C 0.505 176.402 176.000 -0.172 0.000 0.988 273 Q CA 1.385 57.042 55.803 -0.243 0.000 0.878 273 Q CB -0.306 28.238 28.738 -0.324 0.000 0.909 273 Q HN 0.171 nan 8.270 nan 0.000 0.424 274 S N 0.747 116.325 115.700 -0.202 0.000 3.024 274 S HA 0.178 4.649 4.470 0.001 0.000 0.316 274 S C 0.816 175.376 174.600 -0.066 0.000 1.197 274 S CA 0.325 58.471 58.200 -0.091 0.000 1.097 274 S CB 0.419 63.578 63.200 -0.069 0.000 1.471 274 S HN 0.385 nan 8.310 nan 0.000 0.543 275 K N 1.170 121.544 120.400 -0.044 0.000 2.699 275 K HA 0.064 4.384 4.320 0.001 0.000 0.205 275 K C 1.282 177.882 176.600 0.001 0.000 1.008 275 K CA 0.937 57.204 56.287 -0.033 0.000 1.100 275 K CB -1.039 31.444 32.500 -0.028 0.000 0.878 275 K HN 0.751 nan 8.250 nan 0.000 0.496 276 S N -2.913 112.805 115.700 0.030 0.000 3.084 276 S HA 0.370 4.841 4.470 0.001 0.000 0.262 276 S C 0.790 175.450 174.600 0.101 0.000 1.081 276 S CA 0.327 58.566 58.200 0.066 0.000 0.855 276 S CB 0.055 63.308 63.200 0.088 0.000 0.857 276 S HN 0.880 nan 8.310 nan 0.000 0.449 277 F N 3.790 123.837 119.950 0.162 0.000 2.310 277 F HA 0.796 5.324 4.527 0.001 0.000 0.365 277 F C -3.098 172.770 175.800 0.114 0.000 1.080 277 F CA -2.819 55.318 58.000 0.229 0.000 1.187 277 F CB 0.088 39.362 39.000 0.458 0.000 1.465 277 F HN 0.053 nan 8.300 nan 0.000 0.496 278 P HA 0.411 nan 4.420 nan 0.000 0.278 278 P C -2.902 174.211 177.300 -0.312 0.000 1.238 278 P CA -1.521 61.459 63.100 -0.200 0.000 0.794 278 P CB 1.317 32.940 31.700 -0.129 0.000 0.955 279 P HA 0.029 nan 4.420 nan 0.000 0.269 279 P C 0.004 177.177 177.300 -0.211 0.000 1.211 279 P CA 0.249 62.925 63.100 -0.707 0.000 0.781 279 P CB 0.101 31.364 31.700 -0.728 0.000 0.877 280 A N 1.703 124.493 122.820 -0.051 0.000 2.386 280 A HA 0.418 4.739 4.320 0.001 0.000 0.246 280 A C 1.601 179.159 177.584 -0.043 0.000 1.089 280 A CA 0.422 52.449 52.037 -0.016 0.000 0.790 280 A CB -0.398 18.619 19.000 0.027 0.000 1.042 280 A HN 0.568 nan 8.150 nan 0.000 0.497 281 A N 0.826 123.628 122.820 -0.030 0.000 1.855 281 A HA 0.413 4.734 4.320 0.001 0.000 0.215 281 A C 1.400 178.971 177.584 -0.022 0.000 1.191 281 A CA 2.369 54.387 52.037 -0.031 0.000 0.613 281 A CB -0.623 18.363 19.000 -0.022 0.000 0.829 281 A HN 1.728 nan 8.150 nan 0.000 0.442 282 K N -0.707 119.687 120.400 -0.008 0.000 2.477 282 K HA 0.637 4.958 4.320 0.001 0.000 0.255 282 K C -0.273 176.332 176.600 0.009 0.000 0.952 282 K CA 0.111 56.398 56.287 -0.001 0.000 0.826 282 K CB 1.027 33.527 32.500 0.001 0.000 1.331 282 K HN 0.506 nan 8.250 nan 0.000 0.437 283 S N 1.627 117.336 115.700 0.015 0.000 2.457 283 S HA 0.277 4.747 4.470 0.001 0.000 0.294 283 S C 0.097 174.709 174.600 0.020 0.000 1.201 283 S CA -0.381 57.832 58.200 0.022 0.000 1.112 283 S CB -0.342 62.877 63.200 0.030 0.000 1.018 283 S HN 0.483 nan 8.310 nan 0.000 0.511 284 L N 5.668 126.901 121.223 0.016 0.000 3.016 284 L HA 0.418 4.759 4.340 0.001 0.000 0.267 284 L C -0.203 176.673 176.870 0.011 0.000 1.182 284 L CA 0.109 54.957 54.840 0.014 0.000 0.997 284 L CB -0.048 42.018 42.059 0.011 0.000 1.354 284 L HN 0.522 nan 8.230 nan 0.000 0.569 285 L N 0.989 122.216 121.223 0.007 0.000 2.349 285 L HA 0.265 4.606 4.340 0.001 0.000 0.275 285 L C 0.904 177.776 176.870 0.004 0.000 1.115 285 L CA 0.498 55.335 54.840 -0.005 0.000 0.820 285 L CB 1.286 43.330 42.059 -0.026 0.000 1.135 285 L HN 0.250 nan 8.230 nan 0.000 0.445 286 T N 1.526 116.081 114.554 0.003 0.000 2.845 286 T HA 0.335 4.686 4.350 0.001 0.000 0.288 286 T C 1.725 176.416 174.700 -0.014 0.000 0.980 286 T CA -0.753 61.352 62.100 0.009 0.000 1.071 286 T CB 0.643 69.523 68.868 0.019 0.000 0.941 286 T HN 0.494 nan 8.240 nan 0.000 0.487 287 I N 0.654 121.207 120.570 -0.029 0.000 2.399 287 I HA -0.195 3.975 4.170 0.001 0.000 0.254 287 I C 2.117 178.197 176.117 -0.062 0.000 1.146 287 I CA 1.128 62.370 61.300 -0.096 0.000 1.412 287 I CB -0.691 37.214 38.000 -0.158 0.000 1.076 287 I HN 0.533 nan 8.210 nan 0.000 0.432 288 Q N 1.747 121.539 119.800 -0.014 0.000 2.096 288 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 288 Q C 2.113 178.125 176.000 0.020 0.000 0.982 288 Q CA 2.186 57.995 55.803 0.010 0.000 0.850 288 Q CB -0.364 28.391 28.738 0.028 0.000 0.901 288 Q HN 0.689 nan 8.270 nan 0.000 0.422 289 E N -0.476 119.734 120.200 0.017 0.000 2.072 289 E HA -0.117 4.234 4.350 0.001 0.000 0.191 289 E C 1.964 178.604 176.600 0.066 0.000 0.985 289 E CA 1.262 57.684 56.400 0.038 0.000 0.801 289 E CB -0.055 29.656 29.700 0.017 0.000 0.750 289 E HN 0.125 nan 8.360 nan 0.000 0.452 290 V N 1.806 121.731 119.914 0.017 0.000 2.407 290 V HA -0.265 3.856 4.120 0.001 0.000 0.248 290 V C 2.059 178.203 176.094 0.082 0.000 1.055 290 V CA 2.175 64.495 62.300 0.035 0.000 1.049 290 V CB -0.521 31.254 31.823 -0.081 0.000 0.662 290 V HN 0.267 nan 8.190 nan 0.000 0.455 291 D N -0.012 120.401 120.400 0.022 0.000 2.120 291 D HA -0.164 4.476 4.640 0.001 0.000 0.202 291 D C 2.138 178.472 176.300 0.056 0.000 0.972 291 D CA 1.263 55.276 54.000 0.022 0.000 0.837 291 D CB -0.050 40.747 40.800 -0.006 0.000 0.989 291 D HN 0.457 nan 8.370 nan 0.000 0.469 292 E N -1.201 119.040 120.200 0.069 0.000 2.153 292 E HA -0.130 4.220 4.350 0.001 0.000 0.194 292 E C 1.655 178.307 176.600 0.086 0.000 0.988 292 E CA 0.713 57.155 56.400 0.070 0.000 0.811 292 E CB -0.230 29.512 29.700 0.070 0.000 0.746 292 E HN 0.377 nan 8.360 nan 0.000 0.466 293 F N 0.488 120.429 119.950 -0.015 0.000 2.084 293 F HA -0.176 4.351 4.527 0.001 0.000 0.296 293 F C 1.681 177.468 175.800 -0.022 0.000 1.111 293 F CA 0.987 58.972 58.000 -0.025 0.000 1.224 293 F CB -0.278 38.694 39.000 -0.047 0.000 0.991 293 F HN -0.018 nan 8.300 nan 0.000 0.471 294 L N 0.368 121.485 121.223 -0.177 0.000 2.127 294 L HA -0.202 4.139 4.340 0.001 0.000 0.211 294 L C 2.472 179.274 176.870 -0.112 0.000 1.089 294 L CA 1.367 56.047 54.840 -0.268 0.000 0.757 294 L CB -1.321 40.734 42.059 -0.007 0.000 0.899 294 L HN 0.336 nan 8.230 nan 0.000 0.434 295 L N -0.094 121.097 121.223 -0.053 0.000 1.976 295 L HA -0.283 4.057 4.340 0.001 0.000 0.209 295 L C 2.880 179.710 176.870 -0.066 0.000 1.071 295 L CA 1.819 56.654 54.840 -0.009 0.000 0.746 295 L CB -0.248 41.816 42.059 0.009 0.000 0.890 295 L HN 0.356 nan 8.230 nan 0.000 0.432 296 R N -0.293 120.128 120.500 -0.132 0.000 2.148 296 R HA -0.184 4.156 4.340 0.001 0.000 0.227 296 R C 2.165 178.342 176.300 -0.206 0.000 1.103 296 R CA 1.303 57.324 56.100 -0.131 0.000 0.983 296 R CB -0.720 29.525 30.300 -0.092 0.000 0.874 296 R HN 0.333 nan 8.270 nan 0.000 0.451 297 L N 1.748 122.717 121.223 -0.423 0.000 2.083 297 L HA -0.093 4.248 4.340 0.001 0.000 0.209 297 L C 2.070 178.891 176.870 -0.081 0.000 1.083 297 L CA 2.460 57.058 54.840 -0.403 0.000 0.752 297 L CB -1.007 40.579 42.059 -0.788 0.000 0.899 297 L HN 0.575 nan 8.230 nan 0.000 0.433 298 S N -1.000 114.726 115.700 0.044 0.000 2.428 298 S HA -0.153 4.318 4.470 0.001 0.000 0.230 298 S C 1.780 176.398 174.600 0.029 0.000 1.014 298 S CA 0.576 58.864 58.200 0.146 0.000 0.957 298 S CB -0.331 62.927 63.200 0.097 0.000 0.784 298 S HN 0.488 nan 8.310 nan 0.000 0.499 299 K N 0.710 121.107 120.400 -0.005 0.000 2.439 299 K HA 0.199 4.519 4.320 0.001 0.000 0.197 299 K C 0.262 176.854 176.600 -0.014 0.000 1.041 299 K CA 0.222 56.502 56.287 -0.012 0.000 0.970 299 K CB -0.356 32.134 32.500 -0.017 0.000 0.773 299 K HN 0.438 nan 8.250 nan 0.000 0.479 300 L N 0.083 121.294 121.223 -0.020 0.000 2.418 300 L HA 0.087 4.427 4.340 0.001 0.000 0.265 300 L C 1.399 178.264 176.870 -0.008 0.000 1.143 300 L CA 0.034 54.862 54.840 -0.020 0.000 0.809 300 L CB 1.176 43.213 42.059 -0.038 0.000 1.124 300 L HN -0.002 nan 8.230 nan 0.000 0.456 301 T N -1.230 113.317 114.554 -0.011 0.000 3.151 301 T HA 0.140 4.490 4.350 0.001 0.000 0.257 301 T C 0.338 175.030 174.700 -0.012 0.000 0.872 301 T CA -0.219 61.877 62.100 -0.006 0.000 0.873 301 T CB 0.302 69.168 68.868 -0.003 0.000 1.272 301 T HN 0.351 nan 8.240 nan 0.000 0.543 302 K N 2.508 122.898 120.400 -0.017 0.000 2.172 302 K HA 0.476 4.797 4.320 0.001 0.000 0.276 302 K C 1.090 177.670 176.600 -0.032 0.000 1.013 302 K CA -0.327 55.948 56.287 -0.021 0.000 0.913 302 K CB 1.154 33.644 32.500 -0.017 0.000 1.055 302 K HN 0.199 nan 8.250 nan 0.000 0.461 303 E N 1.278 121.456 120.200 -0.037 0.000 2.108 303 E HA -0.307 4.044 4.350 0.001 0.000 0.203 303 E C 0.760 177.324 176.600 -0.060 0.000 1.022 303 E CA 1.748 58.114 56.400 -0.055 0.000 0.823 303 E CB 0.050 29.719 29.700 -0.052 0.000 0.744 303 E HN 0.570 nan 8.360 nan 0.000 0.456 304 D N 0.588 120.962 120.400 -0.043 0.000 2.108 304 D HA -0.178 4.462 4.640 0.001 0.000 0.190 304 D C 1.849 178.126 176.300 -0.039 0.000 0.995 304 D CA 1.387 55.364 54.000 -0.038 0.000 0.834 304 D CB -0.224 40.562 40.800 -0.025 0.000 0.967 304 D HN 0.261 nan 8.370 nan 0.000 0.446 305 E N 0.075 120.255 120.200 -0.032 0.000 2.118 305 E HA -0.215 4.136 4.350 0.001 0.000 0.195 305 E C 2.240 178.818 176.600 -0.036 0.000 0.992 305 E CA 0.877 57.261 56.400 -0.026 0.000 0.804 305 E CB -0.109 29.578 29.700 -0.022 0.000 0.741 305 E HN 0.461 nan 8.360 nan 0.000 0.458 306 Q N 0.758 120.524 119.800 -0.056 0.000 2.016 306 Q HA -0.204 4.136 4.340 0.001 0.000 0.200 306 Q C 2.314 178.251 176.000 -0.105 0.000 0.978 306 Q CA 1.145 56.902 55.803 -0.077 0.000 0.833 306 Q CB -0.244 28.437 28.738 -0.095 0.000 0.895 306 Q HN 0.279 nan 8.270 nan 0.000 0.427 307 Q N 0.720 120.434 119.800 -0.143 0.000 2.133 307 Q HA -0.334 4.007 4.340 0.001 0.000 0.208 307 Q C 2.185 178.127 176.000 -0.098 0.000 0.991 307 Q CA 1.978 57.674 55.803 -0.179 0.000 0.867 307 Q CB 0.026 28.674 28.738 -0.149 0.000 0.911 307 Q HN 0.217 nan 8.270 nan 0.000 0.417 308 Q N 0.092 119.863 119.800 -0.048 0.000 1.975 308 Q HA -0.173 4.168 4.340 0.001 0.000 0.205 308 Q C 1.846 177.864 176.000 0.030 0.000 0.990 308 Q CA 2.419 58.217 55.803 -0.007 0.000 0.845 308 Q CB -0.805 27.933 28.738 0.000 0.000 0.913 308 Q HN 0.438 nan 8.270 nan 0.000 0.420 309 A N 0.443 123.299 122.820 0.060 0.000 1.859 309 A HA -0.221 4.100 4.320 0.001 0.000 0.217 309 A C 2.283 180.020 177.584 0.255 0.000 1.198 309 A CA 1.942 54.091 52.037 0.187 0.000 0.629 309 A CB -1.229 17.863 19.000 0.153 0.000 0.830 309 A HN 0.488 nan 8.150 nan 0.000 0.446 310 L N -0.977 120.347 121.223 0.168 0.000 2.021 310 L HA -0.338 4.003 4.340 0.001 0.000 0.215 310 L C 2.962 179.867 176.870 0.059 0.000 1.074 310 L CA 2.241 57.148 54.840 0.112 0.000 0.760 310 L CB -0.600 41.381 42.059 -0.130 0.000 0.889 310 L HN 0.622 nan 8.230 nan 0.000 0.433 311 Q N -0.119 119.699 119.800 0.030 0.000 1.993 311 Q HA -0.251 4.090 4.340 0.001 0.000 0.202 311 Q C 1.877 177.888 176.000 0.017 0.000 0.984 311 Q CA 2.012 57.838 55.803 0.037 0.000 0.837 311 Q CB -0.007 28.745 28.738 0.024 0.000 0.902 311 Q HN 0.449 nan 8.270 nan 0.000 0.423 312 D N 0.320 120.732 120.400 0.019 0.000 2.192 312 D HA -0.231 4.410 4.640 0.001 0.000 0.189 312 D C 1.809 178.067 176.300 -0.070 0.000 1.007 312 D CA 1.354 55.357 54.000 0.006 0.000 0.859 312 D CB -0.276 40.553 40.800 0.050 0.000 0.936 312 D HN 0.281 nan 8.370 nan 0.000 0.447 313 I N 0.758 121.202 120.570 -0.210 0.000 2.233 313 I HA -0.140 4.030 4.170 0.001 0.000 0.243 313 I C 2.253 178.236 176.117 -0.224 0.000 1.093 313 I CA 1.054 62.117 61.300 -0.395 0.000 1.380 313 I CB -0.410 36.925 38.000 -1.109 0.000 1.067 313 I HN -0.051 nan 8.210 nan 0.000 0.413 314 A N -0.471 122.254 122.820 -0.158 0.000 1.978 314 A HA -0.206 4.114 4.320 0.001 0.000 0.220 314 A C 2.231 179.860 177.584 0.076 0.000 1.170 314 A CA 1.802 53.771 52.037 -0.113 0.000 0.636 314 A CB -1.173 17.755 19.000 -0.120 0.000 0.810 314 A HN 0.563 nan 8.150 nan 0.000 0.448 315 S N -0.801 114.947 115.700 0.080 0.000 2.851 315 S HA 0.136 4.606 4.470 0.001 0.000 0.227 315 S C 0.723 175.370 174.600 0.078 0.000 0.958 315 S CA 0.020 58.294 58.200 0.123 0.000 0.990 315 S CB -0.363 62.886 63.200 0.083 0.000 0.790 315 S HN 0.584 nan 8.310 nan 0.000 0.509 316 R N -0.342 120.192 120.500 0.056 0.000 2.599 316 R HA 0.327 4.668 4.340 0.001 0.000 0.451 316 R C -1.199 175.128 176.300 0.045 0.000 0.988 316 R CA -0.350 55.768 56.100 0.030 0.000 1.085 316 R CB 0.105 30.397 30.300 -0.014 0.000 1.452 316 R HN 0.322 nan 8.270 nan 0.000 0.596 317 C N 0.362 119.738 119.300 0.127 0.000 2.408 317 C HA 0.234 4.695 4.460 0.001 0.000 0.321 317 C C 1.763 176.876 174.990 0.206 0.000 1.245 317 C CA -0.522 58.590 59.018 0.156 0.000 1.523 317 C CB 1.689 29.519 27.740 0.151 0.000 2.178 317 C HN 0.462 nan 8.230 nan 0.000 0.488 318 T N 1.481 116.105 114.554 0.116 0.000 3.320 318 T HA 0.169 4.520 4.350 0.001 0.000 0.258 318 T C 1.388 176.152 174.700 0.108 0.000 1.176 318 T CA 1.847 63.989 62.100 0.070 0.000 1.037 318 T CB -0.460 68.429 68.868 0.035 0.000 0.958 318 T HN 1.514 nan 8.240 nan 0.000 0.545 319 A N 1.444 124.445 122.820 0.302 0.000 1.282 319 A HA -0.366 3.955 4.320 0.001 0.000 0.224 319 A C 1.904 179.583 177.584 0.159 0.000 0.457 319 A CA 1.861 54.132 52.037 0.389 0.000 1.095 319 A CB -2.209 16.945 19.000 0.256 0.000 1.470 319 A HN 0.595 nan 8.150 nan 0.000 0.723 320 N N 0.814 119.570 118.700 0.093 0.000 2.122 320 N HA -0.255 4.485 4.740 0.001 0.000 0.199 320 N C 1.093 176.636 175.510 0.056 0.000 1.007 320 N CA 2.128 55.213 53.050 0.057 0.000 0.892 320 N CB -0.758 37.754 38.487 0.042 0.000 1.050 320 N HN 0.801 nan 8.380 nan 0.000 0.468 321 D N 1.176 121.613 120.400 0.063 0.000 2.087 321 D HA -0.097 4.544 4.640 0.001 0.000 0.192 321 D C 2.164 178.463 176.300 -0.002 0.000 0.993 321 D CA 0.336 54.359 54.000 0.038 0.000 0.828 321 D CB -0.608 40.215 40.800 0.037 0.000 0.968 321 D HN 0.132 nan 8.370 nan 0.000 0.448 322 L N 0.868 122.081 121.223 -0.017 0.000 2.012 322 L HA -0.226 4.114 4.340 0.001 0.000 0.210 322 L C 2.373 179.172 176.870 -0.119 0.000 1.073 322 L CA 1.584 56.333 54.840 -0.151 0.000 0.748 322 L CB -0.394 41.434 42.059 -0.384 0.000 0.891 322 L HN 0.085 nan 8.230 nan 0.000 0.431 323 K N -0.501 119.865 120.400 -0.056 0.000 2.015 323 K HA -0.329 3.992 4.320 0.001 0.000 0.216 323 K C 2.323 178.918 176.600 -0.008 0.000 1.052 323 K CA 2.443 58.715 56.287 -0.026 0.000 0.937 323 K CB -0.560 31.948 32.500 0.012 0.000 0.719 323 K HN 0.571 nan 8.250 nan 0.000 0.446 324 C N 1.166 120.475 119.300 0.016 0.000 2.401 324 C HA -0.164 4.297 4.460 0.001 0.000 0.276 324 C C 2.704 177.706 174.990 0.021 0.000 1.233 324 C CA 1.202 60.248 59.018 0.047 0.000 1.753 324 C CB -1.072 26.724 27.740 0.094 0.000 2.029 324 C HN 0.689 nan 8.230 nan 0.000 0.478 325 I N 1.939 122.497 120.570 -0.021 0.000 2.676 325 I HA -0.032 4.139 4.170 0.001 0.000 0.259 325 I C 2.044 178.139 176.117 -0.037 0.000 1.194 325 I CA 2.088 63.363 61.300 -0.041 0.000 1.473 325 I CB -0.700 37.250 38.000 -0.082 0.000 1.096 325 I HN 0.592 nan 8.210 nan 0.000 0.443 326 I N -1.337 119.212 120.570 -0.035 0.000 2.617 326 I HA -0.028 4.142 4.170 0.001 0.000 0.256 326 I C 2.333 178.437 176.117 -0.021 0.000 1.167 326 I CA 0.729 62.017 61.300 -0.019 0.000 1.469 326 I CB -0.790 37.214 38.000 0.007 0.000 1.098 326 I HN 0.135 nan 8.210 nan 0.000 0.436 327 R N 0.872 121.370 120.500 -0.003 0.000 2.091 327 R HA -0.106 4.235 4.340 0.001 0.000 0.238 327 R C 2.264 178.569 176.300 0.008 0.000 1.136 327 R CA 1.251 57.359 56.100 0.013 0.000 0.959 327 R CB -0.500 29.822 30.300 0.037 0.000 0.856 327 R HN 0.294 nan 8.270 nan 0.000 0.437 328 L N 0.807 122.035 121.223 0.008 0.000 2.042 328 L HA -0.162 4.178 4.340 0.001 0.000 0.210 328 L C 2.210 179.056 176.870 -0.040 0.000 1.076 328 L CA 1.617 56.463 54.840 0.010 0.000 0.749 328 L CB -0.468 41.586 42.059 -0.009 0.000 0.893 328 L HN 0.173 nan 8.230 nan 0.000 0.432 329 I N -1.095 119.398 120.570 -0.129 0.000 2.493 329 I HA -0.241 3.929 4.170 0.001 0.000 0.254 329 I C 1.927 177.861 176.117 -0.305 0.000 1.160 329 I CA 0.860 62.021 61.300 -0.233 0.000 1.445 329 I CB -0.160 37.692 38.000 -0.247 0.000 1.086 329 I HN 0.130 nan 8.210 nan 0.000 0.433 330 K N -0.032 120.225 120.400 -0.239 0.000 2.404 330 K HA 0.018 4.338 4.320 0.001 0.000 0.194 330 K C 0.219 176.731 176.600 -0.146 0.000 1.023 330 K CA 0.238 56.408 56.287 -0.194 0.000 1.094 330 K CB -0.469 32.014 32.500 -0.028 0.000 0.841 330 K HN 0.333 nan 8.250 nan 0.000 0.523 331 H N -1.738 117.414 119.070 0.135 0.000 2.958 331 H HA -0.210 4.346 4.556 0.001 0.000 0.274 331 H C -0.852 174.524 175.328 0.079 0.000 1.184 331 H CA 0.979 57.091 56.048 0.106 0.000 1.143 331 H CB -1.313 28.501 29.762 0.086 0.000 1.297 331 H HN 0.192 nan 8.280 nan 0.000 0.356 332 D N -0.184 120.291 120.400 0.125 0.000 2.470 332 D HA 0.190 4.831 4.640 0.001 0.000 0.233 332 D C -0.076 176.264 176.300 0.068 0.000 1.372 332 D CA -0.676 53.382 54.000 0.096 0.000 0.994 332 D CB 0.738 41.593 40.800 0.092 0.000 1.377 332 D HN 0.022 nan 8.370 nan 0.000 0.586 333 L N 3.145 124.406 121.223 0.063 0.000 2.645 333 L HA 0.204 4.545 4.340 0.001 0.000 0.235 333 L C 0.778 177.663 176.870 0.025 0.000 1.150 333 L CA 0.378 55.247 54.840 0.047 0.000 0.911 333 L CB -1.009 41.076 42.059 0.043 0.000 1.077 333 L HN 0.536 nan 8.230 nan 0.000 0.438 334 K N 0.255 120.673 120.400 0.030 0.000 3.540 334 K HA -0.254 4.067 4.320 0.001 0.000 0.274 334 K C 0.838 177.443 176.600 0.009 0.000 0.890 334 K CA 1.147 57.448 56.287 0.024 0.000 0.701 334 K CB -1.487 31.028 32.500 0.025 0.000 1.523 334 K HN 0.580 nan 8.250 nan 0.000 0.450 335 M N -2.526 117.076 119.600 0.003 0.000 2.268 335 M HA 0.157 4.638 4.480 0.001 0.000 0.355 335 M C -0.335 175.967 176.300 0.003 0.000 0.938 335 M CA -0.014 55.279 55.300 -0.012 0.000 1.025 335 M CB 0.578 33.151 32.600 -0.044 0.000 1.773 335 M HN 0.131 nan 8.290 nan 0.000 0.613 336 N N 1.802 120.513 118.700 0.019 0.000 2.747 336 N HA -0.146 4.595 4.740 0.001 0.000 0.249 336 N C -0.582 174.917 175.510 -0.019 0.000 1.107 336 N CA 1.256 54.333 53.050 0.045 0.000 0.707 336 N CB -1.380 37.176 38.487 0.114 0.000 1.054 336 N HN 0.597 nan 8.380 nan 0.000 0.555 337 S N -0.928 114.738 115.700 -0.057 0.000 2.707 337 S HA 0.689 5.160 4.470 0.001 0.000 0.303 337 S C 0.582 175.140 174.600 -0.070 0.000 1.132 337 S CA 0.058 58.193 58.200 -0.109 0.000 1.046 337 S CB 1.272 64.415 63.200 -0.095 0.000 1.004 337 S HN 0.438 nan 8.310 nan 0.000 0.483 338 G N 2.455 111.212 108.800 -0.072 0.000 2.695 338 G HA2 0.606 4.567 3.960 0.001 0.000 0.213 338 G HA3 0.606 4.567 3.960 0.001 0.000 0.213 338 G C 1.160 175.982 174.900 -0.131 0.000 1.406 338 G CA 0.011 45.066 45.100 -0.075 0.000 1.049 338 G HN 0.928 nan 8.290 nan 0.000 0.573 339 A N -0.626 122.104 122.820 -0.150 0.000 1.898 339 A HA -0.010 4.311 4.320 0.001 0.000 0.216 339 A C 2.202 179.535 177.584 -0.419 0.000 1.181 339 A CA 2.206 54.125 52.037 -0.197 0.000 0.620 339 A CB -0.593 18.387 19.000 -0.033 0.000 0.819 339 A HN 0.582 nan 8.150 nan 0.000 0.442 340 K N -0.864 119.082 120.400 -0.757 0.000 2.001 340 K HA -0.272 4.048 4.320 0.001 0.000 0.214 340 K C 1.884 178.032 176.600 -0.754 0.000 1.050 340 K CA 2.210 57.740 56.287 -1.261 0.000 0.934 340 K CB -0.355 31.308 32.500 -1.395 0.000 0.718 340 K HN 0.712 nan 8.250 nan 0.000 0.443 341 H N -0.736 118.101 119.070 -0.388 0.000 2.428 341 H HA -0.037 4.519 4.556 0.001 0.000 0.296 341 H C 1.982 177.199 175.328 -0.185 0.000 1.062 341 H CA 1.165 57.056 56.048 -0.263 0.000 1.350 341 H CB 0.229 29.808 29.762 -0.306 0.000 1.403 341 H HN -0.013 nan 8.280 nan 0.000 0.533 342 V N 0.531 120.387 119.914 -0.098 0.000 2.453 342 V HA -0.166 3.954 4.120 0.001 0.000 0.247 342 V C 2.122 178.157 176.094 -0.100 0.000 1.048 342 V CA 1.319 63.563 62.300 -0.094 0.000 1.049 342 V CB -0.318 31.442 31.823 -0.106 0.000 0.672 342 V HN 0.366 nan 8.190 nan 0.000 0.457 343 L N -0.449 120.687 121.223 -0.145 0.000 2.313 343 L HA -0.044 4.296 4.340 0.001 0.000 0.214 343 L C 2.095 178.939 176.870 -0.043 0.000 1.119 343 L CA 0.808 55.589 54.840 -0.098 0.000 0.809 343 L CB -0.426 41.579 42.059 -0.089 0.000 0.933 343 L HN 0.290 nan 8.230 nan 0.000 0.449 344 D N 0.390 120.751 120.400 -0.065 0.000 2.219 344 D HA -0.107 4.533 4.640 0.001 0.000 0.205 344 D C 2.168 178.473 176.300 0.009 0.000 0.970 344 D CA 1.173 55.162 54.000 -0.018 0.000 0.851 344 D CB 0.165 40.946 40.800 -0.033 0.000 0.943 344 D HN 0.265 nan 8.370 nan 0.000 0.488 345 A N 0.204 123.026 122.820 0.003 0.000 2.121 345 A HA -0.034 4.287 4.320 0.001 0.000 0.218 345 A C 2.073 179.674 177.584 0.028 0.000 1.154 345 A CA 0.479 52.528 52.037 0.020 0.000 0.679 345 A CB -0.388 18.622 19.000 0.017 0.000 0.795 345 A HN 0.275 nan 8.150 nan 0.000 0.458 346 L N -1.543 119.693 121.223 0.020 0.000 2.416 346 L HA 0.150 4.490 4.340 0.001 0.000 0.216 346 L C -0.250 176.644 176.870 0.039 0.000 1.098 346 L CA 0.806 55.665 54.840 0.031 0.000 0.840 346 L CB 0.320 42.392 42.059 0.022 0.000 0.981 346 L HN 0.457 nan 8.230 nan 0.000 0.462 347 D N -1.954 118.470 120.400 0.039 0.000 2.720 347 D HA -0.007 4.634 4.640 0.001 0.000 0.230 347 D C -2.322 174.006 176.300 0.047 0.000 1.057 347 D CA -0.627 53.399 54.000 0.044 0.000 0.793 347 D CB 1.087 41.917 40.800 0.049 0.000 2.805 347 D HN -0.293 nan 8.370 nan 0.000 0.464 348 P HA -0.182 nan 4.420 nan 0.000 0.221 348 P C 0.638 177.973 177.300 0.058 0.000 1.153 348 P CA 1.426 64.555 63.100 0.047 0.000 0.858 348 P CB 0.322 32.046 31.700 0.040 0.000 0.783 349 N N -2.565 116.172 118.700 0.061 0.000 2.171 349 N HA 0.182 4.923 4.740 0.001 0.000 0.212 349 N C 1.507 177.071 175.510 0.091 0.000 1.184 349 N CA 0.520 53.611 53.050 0.068 0.000 0.888 349 N CB -0.066 38.452 38.487 0.051 0.000 1.038 349 N HN -0.030 nan 8.380 nan 0.000 0.517 350 A N 1.076 123.953 122.820 0.096 0.000 1.881 350 A HA -0.289 4.032 4.320 0.001 0.000 0.219 350 A C 2.005 179.704 177.584 0.191 0.000 1.215 350 A CA 1.585 53.690 52.037 0.113 0.000 0.648 350 A CB -1.150 17.893 19.000 0.071 0.000 0.832 350 A HN 0.354 nan 8.150 nan 0.000 0.455 351 Y N 0.463 120.781 120.300 0.029 0.000 2.014 351 Y HA -0.272 4.279 4.550 0.001 0.000 0.272 351 Y C 2.417 178.378 175.900 0.102 0.000 1.164 351 Y CA 2.281 60.416 58.100 0.059 0.000 1.114 351 Y CB -0.952 37.500 38.460 -0.013 0.000 0.961 351 Y HN 0.578 nan 8.280 nan 0.000 0.489 352 E N -0.450 119.718 120.200 -0.053 0.000 2.070 352 E HA -0.275 4.075 4.350 0.001 0.000 0.197 352 E C 2.275 178.831 176.600 -0.074 0.000 1.004 352 E CA 1.370 57.674 56.400 -0.161 0.000 0.805 352 E CB -0.376 29.282 29.700 -0.070 0.000 0.744 352 E HN 0.548 nan 8.360 nan 0.000 0.451 353 A N 0.436 123.270 122.820 0.024 0.000 1.933 353 A HA -0.187 4.134 4.320 0.001 0.000 0.218 353 A C 1.965 179.592 177.584 0.072 0.000 1.175 353 A CA 1.250 53.312 52.037 0.042 0.000 0.628 353 A CB -0.816 18.224 19.000 0.067 0.000 0.814 353 A HN 0.480 nan 8.150 nan 0.000 0.444 354 F N 0.851 120.778 119.950 -0.037 0.000 2.126 354 F HA -0.149 4.378 4.527 0.001 0.000 0.299 354 F C 2.090 177.844 175.800 -0.078 0.000 1.096 354 F CA 2.052 60.035 58.000 -0.028 0.000 1.255 354 F CB -0.176 38.847 39.000 0.037 0.000 0.997 354 F HN 0.137 nan 8.300 nan 0.000 0.479 355 K N -0.220 120.069 120.400 -0.185 0.000 2.148 355 K HA -0.063 4.257 4.320 0.001 0.000 0.204 355 K C 2.237 178.689 176.600 -0.248 0.000 1.050 355 K CA 1.041 57.141 56.287 -0.311 0.000 0.942 355 K CB -0.400 31.896 32.500 -0.340 0.000 0.724 355 K HN 0.340 nan 8.250 nan 0.000 0.446 356 A N 1.134 123.853 122.820 -0.168 0.000 1.930 356 A HA -0.043 4.277 4.320 0.001 0.000 0.215 356 A C 1.124 178.623 177.584 -0.142 0.000 1.176 356 A CA 1.080 53.048 52.037 -0.115 0.000 0.632 356 A CB 0.080 19.042 19.000 -0.063 0.000 0.819 356 A HN 0.260 nan 8.150 nan 0.000 0.445 357 S N -0.961 114.640 115.700 -0.166 0.000 2.746 357 S HA 0.507 4.978 4.470 0.001 0.000 0.273 357 S C -0.564 173.870 174.600 -0.277 0.000 1.172 357 S CA -0.592 57.495 58.200 -0.189 0.000 1.116 357 S CB 0.915 64.046 63.200 -0.114 0.000 1.057 357 S HN 0.325 nan 8.310 nan 0.000 0.483 358 R N 3.068 123.305 120.500 -0.438 0.000 3.701 358 R HA 0.284 4.625 4.340 0.001 0.000 0.210 358 R C -0.489 175.590 176.300 -0.369 0.000 1.598 358 R CA -0.021 55.621 56.100 -0.764 0.000 1.427 358 R CB -0.372 29.466 30.300 -0.770 0.000 1.339 358 R HN 0.673 nan 8.270 nan 0.000 0.720 359 N N 3.196 121.863 118.700 -0.055 0.000 2.571 359 N HA -0.006 4.735 4.740 0.001 0.000 0.286 359 N C 0.079 175.785 175.510 0.327 0.000 1.138 359 N CA -0.528 52.606 53.050 0.140 0.000 0.859 359 N CB 1.234 39.725 38.487 0.007 0.000 1.414 359 N HN 0.301 nan 8.380 nan 0.000 0.529 360 L N 2.579 124.076 121.223 0.456 0.000 2.042 360 L HA -0.080 4.261 4.340 0.001 0.000 0.210 360 L C 2.135 179.131 176.870 0.211 0.000 1.076 360 L CA 1.941 56.959 54.840 0.296 0.000 0.749 360 L CB -0.355 41.846 42.059 0.235 0.000 0.893 360 L HN 0.725 nan 8.230 nan 0.000 0.432 361 Q N -0.460 119.404 119.800 0.107 0.000 2.135 361 Q HA -0.277 4.063 4.340 0.001 0.000 0.204 361 Q C 1.872 177.812 176.000 -0.100 0.000 0.981 361 Q CA 2.282 57.948 55.803 -0.228 0.000 0.856 361 Q CB -0.265 28.231 28.738 -0.403 0.000 0.902 361 Q HN 0.725 nan 8.270 nan 0.000 0.425 362 D N -0.870 119.522 120.400 -0.014 0.000 2.149 362 D HA -0.096 4.545 4.640 0.001 0.000 0.201 362 D C 1.989 178.307 176.300 0.031 0.000 0.972 362 D CA 1.053 55.048 54.000 -0.008 0.000 0.835 362 D CB 0.092 40.888 40.800 -0.007 0.000 0.966 362 D HN 0.089 nan 8.370 nan 0.000 0.476 363 V N 0.007 119.973 119.914 0.086 0.000 2.255 363 V HA -0.245 3.875 4.120 0.001 0.000 0.247 363 V C 2.639 178.778 176.094 0.076 0.000 1.051 363 V CA 1.526 63.886 62.300 0.100 0.000 1.018 363 V CB -0.514 31.400 31.823 0.151 0.000 0.641 363 V HN 0.161 nan 8.190 nan 0.000 0.445 364 V N -0.065 119.896 119.914 0.079 0.000 2.295 364 V HA -0.305 3.816 4.120 0.001 0.000 0.246 364 V C 2.486 178.615 176.094 0.058 0.000 1.049 364 V CA 2.350 64.700 62.300 0.084 0.000 1.024 364 V CB -0.665 31.242 31.823 0.141 0.000 0.648 364 V HN 0.718 nan 8.190 nan 0.000 0.447 365 E N 0.261 120.473 120.200 0.020 0.000 2.097 365 E HA -0.290 4.060 4.350 0.001 0.000 0.196 365 E C 2.393 179.023 176.600 0.051 0.000 1.000 365 E CA 1.687 58.095 56.400 0.015 0.000 0.804 365 E CB -0.056 29.627 29.700 -0.029 0.000 0.740 365 E HN 0.554 nan 8.360 nan 0.000 0.454 366 R N -0.201 120.328 120.500 0.047 0.000 2.073 366 R HA -0.062 4.279 4.340 0.001 0.000 0.229 366 R C 2.516 178.875 176.300 0.099 0.000 1.120 366 R CA 1.243 57.383 56.100 0.068 0.000 0.967 366 R CB -0.144 30.184 30.300 0.047 0.000 0.862 366 R HN 0.090 nan 8.270 nan 0.000 0.436 367 V N 1.571 121.533 119.914 0.080 0.000 2.407 367 V HA -0.203 3.917 4.120 0.001 0.000 0.248 367 V C 2.162 178.298 176.094 0.071 0.000 1.055 367 V CA 1.613 63.957 62.300 0.073 0.000 1.049 367 V CB -0.394 31.468 31.823 0.065 0.000 0.662 367 V HN 0.278 nan 8.190 nan 0.000 0.455 368 L N -0.510 120.758 121.223 0.077 0.000 2.156 368 L HA -0.140 4.201 4.340 0.001 0.000 0.208 368 L C 2.497 179.412 176.870 0.076 0.000 1.095 368 L CA 1.705 56.585 54.840 0.067 0.000 0.770 368 L CB -0.849 41.249 42.059 0.065 0.000 0.914 368 L HN 0.429 nan 8.230 nan 0.000 0.439 369 H N 0.169 119.247 119.070 0.014 0.000 2.495 369 H HA -0.056 4.500 4.556 0.001 0.000 0.287 369 H C 1.993 177.329 175.328 0.012 0.000 1.033 369 H CA 1.229 57.283 56.048 0.011 0.000 1.307 369 H CB 0.274 30.040 29.762 0.006 0.000 1.401 369 H HN 0.232 nan 8.280 nan 0.000 0.555 370 N N 0.022 118.740 118.700 0.031 0.000 2.258 370 N HA 0.052 4.793 4.740 0.001 0.000 0.183 370 N C 1.922 177.410 175.510 -0.037 0.000 1.029 370 N CA 1.296 54.342 53.050 -0.008 0.000 0.857 370 N CB -0.669 37.847 38.487 0.048 0.000 1.008 370 N HN 0.417 nan 8.380 nan 0.000 0.433 371 A N 1.068 123.883 122.820 -0.008 0.000 2.076 371 A HA -0.209 4.111 4.320 0.001 0.000 0.220 371 A C 2.104 179.670 177.584 -0.031 0.000 1.160 371 A CA 1.411 53.443 52.037 -0.008 0.000 0.653 371 A CB -0.619 18.388 19.000 0.012 0.000 0.801 371 A HN 0.424 nan 8.150 nan 0.000 0.455 372 Q N 0.418 120.182 119.800 -0.061 0.000 2.030 372 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 372 Q C 0.210 176.158 176.000 -0.087 0.000 0.986 372 Q CA 1.645 57.400 55.803 -0.080 0.000 0.843 372 Q CB -0.135 28.525 28.738 -0.131 0.000 0.904 372 Q HN 0.771 nan 8.270 nan 0.000 0.420 373 E N 0.495 120.623 120.200 -0.121 0.000 2.028 373 E HA 0.112 4.463 4.350 0.001 0.000 0.275 373 E C -0.035 176.533 176.600 -0.054 0.000 1.171 373 E CA -0.350 55.993 56.400 -0.096 0.000 1.186 373 E CB 0.961 30.582 29.700 -0.131 0.000 1.256 373 E HN 0.157 nan 8.360 nan 0.000 0.474 374 V N 0.464 120.356 119.914 -0.037 0.000 4.233 374 V HA 0.075 4.195 4.120 0.001 0.000 0.183 374 V C 0.047 176.131 176.094 -0.017 0.000 1.097 374 V CA -0.378 61.908 62.300 -0.022 0.000 1.385 374 V CB -0.355 31.459 31.823 -0.016 0.000 1.805 374 V HN 0.409 nan 8.190 nan 0.000 0.496 385 S N 3.204 118.926 115.700 0.037 0.000 2.585 385 S HA 0.647 5.118 4.470 0.001 0.000 0.277 385 S C -0.091 174.524 174.600 0.026 0.000 1.241 385 S CA -0.546 57.671 58.200 0.029 0.000 1.041 385 S CB 1.967 65.183 63.200 0.026 0.000 0.987 385 S HN 0.358 nan 8.310 nan 0.000 0.512 386 V N 4.637 124.562 119.914 0.020 0.000 2.174 386 V HA 0.256 4.376 4.120 0.001 0.000 0.259 386 V C 0.340 176.439 176.094 0.008 0.000 1.261 386 V CA -0.438 61.868 62.300 0.011 0.000 1.137 386 V CB -0.963 30.862 31.823 0.003 0.000 1.290 386 V HN 0.927 nan 8.190 nan 0.000 0.486 387 Q N 2.343 122.148 119.800 0.009 0.000 2.257 387 Q HA 0.880 5.220 4.340 0.001 0.000 0.262 387 Q C -0.373 175.626 176.000 -0.001 0.000 0.997 387 Q CA -0.841 54.970 55.803 0.013 0.000 0.873 387 Q CB 2.448 31.198 28.738 0.020 0.000 1.312 387 Q HN 0.453 nan 8.270 nan 0.000 0.450 388 A N 1.187 124.013 122.820 0.011 0.000 2.304 388 A HA 0.594 4.915 4.320 0.001 0.000 0.301 388 A C -0.562 176.993 177.584 -0.048 0.000 1.132 388 A CA -0.550 51.470 52.037 -0.028 0.000 0.819 388 A CB 1.512 20.501 19.000 -0.018 0.000 1.094 388 A HN 0.614 nan 8.150 nan 0.000 0.492 389 S N 1.598 117.227 115.700 -0.118 0.000 2.561 389 S HA 0.472 4.942 4.470 0.001 0.000 0.303 389 S C -0.616 173.854 174.600 -0.216 0.000 1.110 389 S CA -0.644 57.473 58.200 -0.137 0.000 1.034 389 S CB 0.688 63.834 63.200 -0.090 0.000 1.010 389 S HN 0.801 nan 8.310 nan 0.000 0.482 390 L N 6.654 127.680 121.223 -0.328 0.000 2.410 390 L HA 0.230 4.571 4.340 0.001 0.000 0.273 390 L C 0.250 177.050 176.870 -0.117 0.000 1.152 390 L CA 0.626 55.223 54.840 -0.405 0.000 0.855 390 L CB 0.246 42.019 42.059 -0.476 0.000 1.129 390 L HN 1.044 nan 8.230 nan 0.000 0.463 391 M N 1.425 121.101 119.600 0.127 0.000 2.995 391 M HA -0.159 4.321 4.480 0.001 0.000 0.207 391 M C 0.440 176.679 176.300 -0.103 0.000 0.593 391 M CA 1.475 56.798 55.300 0.038 0.000 0.791 391 M CB -2.464 30.108 32.600 -0.047 0.000 2.827 391 M HN 0.792 nan 8.290 nan 0.000 0.293 392 T N 1.018 115.478 114.554 -0.157 0.000 2.823 392 T HA 0.665 5.016 4.350 0.001 0.000 0.279 392 T C -2.680 171.732 174.700 -0.479 0.000 0.998 392 T CA -1.662 60.250 62.100 -0.313 0.000 0.994 392 T CB 2.587 71.340 68.868 -0.192 0.000 0.960 392 T HN -0.100 nan 8.240 nan 0.000 0.448 393 P HA 0.156 nan 4.420 nan 0.000 0.265 393 P C -0.894 176.168 177.300 -0.396 0.000 1.187 393 P CA -0.236 62.331 63.100 -0.889 0.000 0.766 393 P CB 0.415 31.560 31.700 -0.925 0.000 0.820 394 V N 4.240 124.031 119.914 -0.205 0.000 2.398 394 V HA 0.145 4.266 4.120 0.001 0.000 0.286 394 V C 0.534 176.561 176.094 -0.110 0.000 1.026 394 V CA -0.754 61.464 62.300 -0.136 0.000 0.868 394 V CB 1.227 33.024 31.823 -0.042 0.000 0.982 394 V HN 0.440 nan 8.190 nan 0.000 0.443 395 Q N 6.338 126.039 119.800 -0.164 0.000 2.362 395 Q HA 0.038 4.379 4.340 0.001 0.000 0.305 395 Q C -2.193 173.780 176.000 -0.045 0.000 1.120 395 Q CA -0.746 54.979 55.803 -0.131 0.000 1.011 395 Q CB 0.695 29.323 28.738 -0.182 0.000 1.048 395 Q HN 0.472 nan 8.270 nan 0.000 0.386 396 P HA -0.029 nan 4.420 nan 0.000 0.269 396 P C -0.067 177.176 177.300 -0.094 0.000 1.215 396 P CA -0.094 63.057 63.100 0.086 0.000 0.780 396 P CB 0.514 32.299 31.700 0.141 0.000 0.898 397 M N 2.762 122.200 119.600 -0.271 0.000 2.240 397 M HA 0.237 4.717 4.480 0.001 0.000 0.333 397 M C -0.943 174.984 176.300 -0.622 0.000 1.110 397 M CA 0.500 55.340 55.300 -0.766 0.000 1.173 397 M CB 0.004 31.652 32.600 -1.586 0.000 1.458 397 M HN 0.189 nan 8.290 nan 0.000 0.458 398 L N 2.914 123.796 121.223 -0.569 0.000 2.279 398 L HA 0.888 5.229 4.340 0.001 0.000 0.262 398 L C -0.729 176.080 176.870 -0.101 0.000 1.019 398 L CA -1.327 53.372 54.840 -0.235 0.000 0.823 398 L CB 1.946 43.920 42.059 -0.141 0.000 1.358 398 L HN 0.823 nan 8.230 nan 0.000 0.432 399 A N 0.676 123.550 122.820 0.091 0.000 2.331 399 A HA 0.479 4.800 4.320 0.001 0.000 0.320 399 A C -0.705 176.943 177.584 0.108 0.000 1.138 399 A CA -0.452 51.703 52.037 0.196 0.000 0.790 399 A CB 1.241 20.393 19.000 0.254 0.000 1.206 399 A HN 0.727 nan 8.150 nan 0.000 0.470 400 E N 2.130 122.399 120.200 0.115 0.000 2.301 400 E HA 0.516 4.866 4.350 0.001 0.000 0.275 400 E C 0.183 176.785 176.600 0.003 0.000 1.030 400 E CA -0.512 55.920 56.400 0.054 0.000 0.852 400 E CB 1.200 30.953 29.700 0.089 0.000 1.060 400 E HN 0.798 nan 8.360 nan 0.000 0.401 401 A N 3.561 126.308 122.820 -0.121 0.000 2.524 401 A HA 0.099 4.419 4.320 0.001 0.000 0.250 401 A C -0.164 177.207 177.584 -0.355 0.000 1.078 401 A CA -0.255 51.579 52.037 -0.338 0.000 0.761 401 A CB -0.177 18.441 19.000 -0.637 0.000 1.012 401 A HN 0.625 nan 8.150 nan 0.000 0.500 402 C N 3.780 122.918 119.300 -0.269 0.000 2.301 402 C HA 0.716 5.176 4.460 0.001 0.000 0.323 402 C C 0.777 175.655 174.990 -0.186 0.000 1.265 402 C CA -0.834 58.054 59.018 -0.217 0.000 1.503 402 C CB 0.034 27.817 27.740 0.072 0.000 2.195 402 C HN 0.915 nan 8.230 nan 0.000 0.477 403 K N 2.850 123.063 120.400 -0.311 0.000 2.379 403 K HA 0.215 4.535 4.320 0.001 0.000 0.194 403 K C 0.769 177.350 176.600 -0.032 0.000 1.031 403 K CA 0.589 56.776 56.287 -0.167 0.000 1.037 403 K CB 0.191 32.552 32.500 -0.232 0.000 0.824 403 K HN 0.860 nan 8.250 nan 0.000 0.516 404 S N -2.318 113.392 115.700 0.016 0.000 2.596 404 S HA 0.290 4.760 4.470 0.001 0.000 0.270 404 S C 0.796 175.459 174.600 0.104 0.000 1.155 404 S CA -0.808 57.432 58.200 0.067 0.000 0.827 404 S CB 1.289 64.530 63.200 0.069 0.000 1.130 404 S HN -0.221 nan 8.310 nan 0.000 0.467 405 V N 1.069 121.027 119.914 0.074 0.000 2.358 405 V HA -0.089 4.032 4.120 0.001 0.000 0.246 405 V C 2.452 178.584 176.094 0.064 0.000 1.047 405 V CA 2.202 64.540 62.300 0.062 0.000 1.035 405 V CB -1.565 30.279 31.823 0.036 0.000 0.658 405 V HN 0.905 nan 8.190 nan 0.000 0.452 406 E N -0.004 120.233 120.200 0.062 0.000 2.095 406 E HA -0.311 4.039 4.350 0.001 0.000 0.212 406 E C 2.007 178.647 176.600 0.066 0.000 1.044 406 E CA 2.436 58.868 56.400 0.053 0.000 0.857 406 E CB -0.702 29.035 29.700 0.061 0.000 0.764 406 E HN 0.739 nan 8.360 nan 0.000 0.462 407 Y N 0.378 120.672 120.300 -0.009 0.000 2.128 407 Y HA -0.243 4.307 4.550 0.001 0.000 0.284 407 Y C 2.281 178.174 175.900 -0.012 0.000 1.154 407 Y CA 1.800 59.892 58.100 -0.013 0.000 1.149 407 Y CB -0.475 37.976 38.460 -0.016 0.000 0.976 407 Y HN 0.075 nan 8.280 nan 0.000 0.505 408 A N -0.561 122.358 122.820 0.165 0.000 1.972 408 A HA -0.216 4.104 4.320 0.001 0.000 0.219 408 A C 2.125 179.697 177.584 -0.019 0.000 1.169 408 A CA 1.867 53.953 52.037 0.083 0.000 0.635 408 A CB -0.738 18.320 19.000 0.096 0.000 0.810 408 A HN 0.566 nan 8.150 nan 0.000 0.446 409 M N -0.281 119.303 119.600 -0.025 0.000 2.175 409 M HA -0.024 4.456 4.480 0.001 0.000 0.264 409 M C 1.938 178.188 176.300 -0.082 0.000 1.063 409 M CA 1.779 57.052 55.300 -0.045 0.000 1.119 409 M CB -0.402 32.181 32.600 -0.028 0.000 1.377 409 M HN 0.467 nan 8.290 nan 0.000 0.415 410 K N -0.497 119.827 120.400 -0.127 0.000 2.025 410 K HA -0.144 4.177 4.320 0.001 0.000 0.207 410 K C 1.571 178.063 176.600 -0.180 0.000 1.049 410 K CA 1.112 57.301 56.287 -0.163 0.000 0.933 410 K CB 0.065 32.428 32.500 -0.229 0.000 0.714 410 K HN 0.123 nan 8.250 nan 0.000 0.438 411 K N -0.132 120.131 120.400 -0.229 0.000 2.432 411 K HA 0.017 4.338 4.320 0.001 0.000 0.196 411 K C 0.202 176.739 176.600 -0.106 0.000 1.038 411 K CA 0.292 56.465 56.287 -0.190 0.000 0.986 411 K CB 0.242 32.605 32.500 -0.229 0.000 0.782 411 K HN 0.154 nan 8.250 nan 0.000 0.485 412 C N 3.213 122.461 119.300 -0.087 0.000 2.566 412 C HA 0.225 4.685 4.460 0.001 0.000 0.300 412 C C -1.225 173.721 174.990 -0.075 0.000 1.147 412 C CA -1.234 57.744 59.018 -0.068 0.000 1.644 412 C CB 0.471 28.176 27.740 -0.058 0.000 1.691 412 C HN 0.218 nan 8.230 nan 0.000 0.440 413 P HA -0.023 nan 4.420 nan 0.000 0.241 413 P C 0.531 177.792 177.300 -0.064 0.000 1.191 413 P CA 1.245 64.305 63.100 -0.067 0.000 0.771 413 P CB 0.275 31.937 31.700 -0.063 0.000 0.929 414 N N -0.230 118.427 118.700 -0.071 0.000 2.203 414 N HA 0.213 4.954 4.740 0.001 0.000 0.207 414 N C 1.092 176.533 175.510 -0.115 0.000 1.130 414 N CA 0.760 53.762 53.050 -0.079 0.000 0.861 414 N CB 0.781 39.227 38.487 -0.069 0.000 1.005 414 N HN 0.159 nan 8.380 nan 0.000 0.507 415 G N 1.607 110.336 108.800 -0.117 0.000 2.756 415 G HA2 -0.129 3.832 3.960 0.001 0.000 0.678 415 G HA3 -0.129 3.832 3.960 0.001 0.000 0.678 415 G C -0.569 174.203 174.900 -0.213 0.000 1.349 415 G CA -0.195 44.814 45.100 -0.153 0.000 0.847 415 G HN 0.267 nan 8.290 nan 0.000 0.548 416 M N -1.791 117.656 119.600 -0.254 0.000 2.664 416 M HA 0.886 5.367 4.480 0.001 0.000 0.279 416 M C -1.492 174.577 176.300 -0.384 0.000 1.275 416 M CA -1.068 54.069 55.300 -0.271 0.000 0.829 416 M CB 2.097 34.633 32.600 -0.107 0.000 1.727 416 M HN 0.488 nan 8.290 nan 0.000 0.459 417 F N 0.954 120.880 119.950 -0.041 0.000 2.436 417 F HA 0.593 5.120 4.527 0.001 0.000 0.340 417 F C 0.346 176.102 175.800 -0.073 0.000 1.113 417 F CA -0.650 57.320 58.000 -0.051 0.000 1.022 417 F CB 1.999 40.968 39.000 -0.053 0.000 1.128 417 F HN 0.674 nan 8.300 nan 0.000 0.466 418 S N 3.774 119.566 115.700 0.154 0.000 2.433 418 S HA 0.510 4.981 4.470 0.001 0.000 0.310 418 S C -0.638 173.976 174.600 0.023 0.000 1.097 418 S CA -0.583 57.644 58.200 0.046 0.000 1.103 418 S CB 0.279 63.494 63.200 0.025 0.000 0.992 418 S HN 0.665 nan 8.310 nan 0.000 0.469 419 E N 3.919 124.093 120.200 -0.043 0.000 2.235 419 E HA 0.448 4.799 4.350 0.001 0.000 0.265 419 E C -0.047 176.462 176.600 -0.152 0.000 0.940 419 E CA -1.090 55.269 56.400 -0.068 0.000 0.819 419 E CB 1.377 31.028 29.700 -0.081 0.000 1.206 419 E HN 0.741 nan 8.360 nan 0.000 0.409 420 I N -1.244 119.181 120.570 -0.243 0.000 2.575 420 I HA 0.253 4.424 4.170 0.001 0.000 0.285 420 I C -0.044 175.704 176.117 -0.615 0.000 1.085 420 I CA -0.386 60.669 61.300 -0.407 0.000 1.403 420 I CB 0.318 38.043 38.000 -0.457 0.000 1.409 420 I HN 0.368 nan 8.210 nan 0.000 0.557 421 K N 6.013 126.163 120.400 -0.415 0.000 2.262 421 K HA 0.235 4.556 4.320 0.001 0.000 0.288 421 K C -1.148 175.265 176.600 -0.313 0.000 1.090 421 K CA -0.450 55.661 56.287 -0.293 0.000 0.918 421 K CB 0.132 32.546 32.500 -0.145 0.000 1.139 421 K HN 0.461 nan 8.250 nan 0.000 0.462 422 Y N 2.094 122.358 120.300 -0.059 0.000 2.544 422 Y HA -0.050 4.500 4.550 0.001 0.000 0.330 422 Y C 0.734 176.639 175.900 0.008 0.000 1.136 422 Y CA -0.147 57.916 58.100 -0.062 0.000 1.417 422 Y CB 0.460 38.875 38.460 -0.076 0.000 1.229 422 Y HN 0.524 nan 8.280 nan 0.000 0.532 423 D N 3.160 123.647 120.400 0.146 0.000 2.713 423 D HA 0.262 4.902 4.640 0.001 0.000 0.229 423 D C 0.303 176.762 176.300 0.266 0.000 1.136 423 D CA 0.171 54.256 54.000 0.142 0.000 1.010 423 D CB -0.398 40.463 40.800 0.102 0.000 1.084 423 D HN 0.780 nan 8.370 nan 0.000 0.495 424 G N 0.733 109.703 108.800 0.283 0.000 3.247 424 G HA2 0.463 4.423 3.960 0.001 0.000 0.199 424 G HA3 0.463 4.423 3.960 0.001 0.000 0.199 424 G C -0.836 174.278 174.900 0.356 0.000 1.172 424 G CA -0.621 44.679 45.100 0.334 0.000 0.844 424 G HN 0.217 nan 8.290 nan 0.000 0.619 425 E N 0.105 120.484 120.200 0.298 0.000 2.199 425 E HA 0.404 4.755 4.350 0.001 0.000 0.265 425 E C -0.797 175.950 176.600 0.245 0.000 0.882 425 E CA -0.877 55.686 56.400 0.271 0.000 0.759 425 E CB 2.699 32.542 29.700 0.239 0.000 1.148 425 E HN 0.337 nan 8.360 nan 0.000 0.412 426 R N 1.800 122.453 120.500 0.255 0.000 2.502 426 R HA 0.094 4.435 4.340 0.001 0.000 0.292 426 R C -1.198 175.236 176.300 0.225 0.000 0.998 426 R CA 0.344 56.611 56.100 0.280 0.000 1.056 426 R CB 0.243 30.715 30.300 0.287 0.000 0.939 426 R HN 0.260 nan 8.270 nan 0.000 0.411 427 V N 5.764 125.796 119.914 0.197 0.000 2.525 427 V HA 0.227 4.348 4.120 0.001 0.000 0.299 427 V C -0.555 175.630 176.094 0.151 0.000 1.034 427 V CA -0.670 61.738 62.300 0.180 0.000 0.863 427 V CB 1.582 33.504 31.823 0.165 0.000 0.999 427 V HN 0.769 nan 8.190 nan 0.000 0.423 428 Q N 4.031 123.956 119.800 0.208 0.000 2.349 428 Q HA 0.528 4.869 4.340 0.001 0.000 0.254 428 Q C -1.200 174.933 176.000 0.222 0.000 0.980 428 Q CA -0.374 55.551 55.803 0.203 0.000 0.924 428 Q CB 1.593 30.498 28.738 0.278 0.000 1.209 428 Q HN 0.619 nan 8.270 nan 0.000 0.445 429 V N 5.385 125.340 119.914 0.069 0.000 2.432 429 V HA 0.281 4.401 4.120 0.001 0.000 0.275 429 V C -0.102 175.966 176.094 -0.044 0.000 1.043 429 V CA -0.391 61.866 62.300 -0.071 0.000 0.925 429 V CB 0.972 32.718 31.823 -0.128 0.000 0.985 429 V HN 0.780 nan 8.190 nan 0.000 0.466 430 H N 4.309 123.212 119.070 -0.278 0.000 2.492 430 H HA 0.583 5.140 4.556 0.001 0.000 0.345 430 H C -0.438 174.656 175.328 -0.390 0.000 1.136 430 H CA -0.872 55.026 56.048 -0.251 0.000 1.202 430 H CB 2.643 32.340 29.762 -0.109 0.000 1.524 430 H HN 0.538 nan 8.280 nan 0.000 0.506 431 K N 2.661 122.864 120.400 -0.327 0.000 2.482 431 K HA 0.228 4.549 4.320 0.001 0.000 0.251 431 K C -1.693 174.672 176.600 -0.392 0.000 0.936 431 K CA -0.718 55.223 56.287 -0.578 0.000 0.791 431 K CB 1.880 33.895 32.500 -0.809 0.000 1.213 431 K HN 0.592 nan 8.250 nan 0.000 0.428 432 N N 2.724 121.229 118.700 -0.325 0.000 2.480 432 N HA 0.359 5.099 4.740 0.001 0.000 0.289 432 N C 0.204 175.667 175.510 -0.078 0.000 1.073 432 N CA 0.876 53.837 53.050 -0.149 0.000 0.885 432 N CB 1.709 40.145 38.487 -0.085 0.000 1.421 432 N HN 0.896 nan 8.380 nan 0.000 0.503 433 G N 3.646 112.405 108.800 -0.067 0.000 2.685 433 G HA2 -0.379 3.582 3.960 0.001 0.000 0.329 433 G HA3 -0.379 3.582 3.960 0.001 0.000 0.329 433 G C 0.302 175.110 174.900 -0.152 0.000 1.271 433 G CA 1.170 46.240 45.100 -0.051 0.000 1.003 433 G HN 0.828 nan 8.290 nan 0.000 0.549 434 D N 0.753 121.059 120.400 -0.157 0.000 2.501 434 D HA 0.232 4.873 4.640 0.001 0.000 0.226 434 D C 0.337 176.542 176.300 -0.158 0.000 1.198 434 D CA -0.160 53.770 54.000 -0.117 0.000 0.830 434 D CB -0.626 40.176 40.800 0.004 0.000 1.014 434 D HN 0.634 nan 8.370 nan 0.000 0.496 435 H N 0.043 119.053 119.070 -0.099 0.000 2.620 435 H HA 0.399 4.955 4.556 0.001 0.000 0.313 435 H C -0.769 174.417 175.328 -0.237 0.000 1.075 435 H CA -0.064 55.955 56.048 -0.049 0.000 1.397 435 H CB 0.464 30.181 29.762 -0.074 0.000 1.446 435 H HN -0.062 nan 8.280 nan 0.000 0.493 436 F N 1.475 121.419 119.950 -0.011 0.000 2.482 436 F HA 0.468 4.995 4.527 0.001 0.000 0.331 436 F C -0.009 175.644 175.800 -0.246 0.000 1.115 436 F CA -0.675 57.230 58.000 -0.158 0.000 0.955 436 F CB 1.728 40.680 39.000 -0.080 0.000 1.136 436 F HN 0.464 nan 8.300 nan 0.000 0.452 437 S N 1.663 117.158 115.700 -0.343 0.000 2.570 437 S HA 0.730 5.200 4.470 0.001 0.000 0.286 437 S C -1.744 172.347 174.600 -0.849 0.000 1.099 437 S CA -0.944 56.958 58.200 -0.498 0.000 0.913 437 S CB 1.658 64.556 63.200 -0.504 0.000 1.085 437 S HN 0.417 nan 8.310 nan 0.000 0.480 438 Y N 0.662 120.618 120.300 -0.574 0.000 2.349 438 Y HA 0.540 5.091 4.550 0.001 0.000 0.324 438 Y C -0.922 174.695 175.900 -0.471 0.000 1.005 438 Y CA -0.900 56.990 58.100 -0.350 0.000 1.240 438 Y CB 0.793 39.182 38.460 -0.118 0.000 1.117 438 Y HN 0.622 nan 8.280 nan 0.000 0.463 439 F N 1.282 121.292 119.950 0.100 0.000 2.397 439 F HA 0.553 5.081 4.527 0.001 0.000 0.331 439 F C 0.875 176.732 175.800 0.094 0.000 1.090 439 F CA -0.810 57.223 58.000 0.055 0.000 1.065 439 F CB 1.474 40.460 39.000 -0.024 0.000 1.184 439 F HN 0.423 nan 8.300 nan 0.000 0.499 440 S N 1.980 117.831 115.700 0.252 0.000 2.671 440 S HA 0.344 4.815 4.470 0.001 0.000 0.272 440 S C 1.422 176.128 174.600 0.175 0.000 1.174 440 S CA -0.736 57.576 58.200 0.188 0.000 1.004 440 S CB 1.030 64.316 63.200 0.143 0.000 1.077 440 S HN 0.669 nan 8.310 nan 0.000 0.553 441 R N 0.932 121.525 120.500 0.155 0.000 2.103 441 R HA -0.103 4.237 4.340 0.001 0.000 0.242 441 R C 1.991 178.346 176.300 0.092 0.000 1.142 441 R CA 2.131 58.309 56.100 0.130 0.000 0.960 441 R CB -1.418 28.956 30.300 0.123 0.000 0.858 441 R HN 0.873 nan 8.270 nan 0.000 0.439 442 S N 0.421 116.172 115.700 0.086 0.000 2.660 442 S HA 0.116 4.587 4.470 0.001 0.000 0.227 442 S C 0.804 175.436 174.600 0.053 0.000 0.948 442 S CA -0.267 57.967 58.200 0.057 0.000 0.948 442 S CB 0.137 63.368 63.200 0.052 0.000 0.779 442 S HN 0.268 nan 8.310 nan 0.000 0.487 443 L N -0.772 120.497 121.223 0.077 0.000 4.367 443 L HA -0.191 4.149 4.340 0.001 0.000 0.424 443 L C 0.221 177.182 176.870 0.152 0.000 1.152 443 L CA 1.079 55.967 54.840 0.081 0.000 0.974 443 L CB -2.757 39.259 42.059 -0.072 0.000 2.012 443 L HN 0.516 nan 8.230 nan 0.000 0.922 444 K N 1.134 121.616 120.400 0.136 0.000 2.154 444 K HA 0.394 4.714 4.320 0.001 0.000 0.264 444 K C -1.783 174.908 176.600 0.152 0.000 1.008 444 K CA -1.565 54.796 56.287 0.123 0.000 0.937 444 K CB 0.546 33.089 32.500 0.073 0.000 1.002 444 K HN -0.036 nan 8.250 nan 0.000 0.469 445 P HA -0.043 nan 4.420 nan 0.000 0.269 445 P C -0.456 176.860 177.300 0.026 0.000 1.209 445 P CA -0.163 62.951 63.100 0.024 0.000 0.776 445 P CB 0.477 32.173 31.700 -0.007 0.000 0.876 446 V N 4.356 124.279 119.914 0.014 0.000 2.555 446 V HA -0.025 4.095 4.120 0.001 0.000 0.286 446 V C 1.001 177.060 176.094 -0.059 0.000 1.044 446 V CA -0.488 61.812 62.300 -0.001 0.000 1.026 446 V CB 0.266 32.099 31.823 0.016 0.000 0.981 446 V HN 0.390 nan 8.190 nan 0.000 0.480 447 L N 8.926 130.105 121.223 -0.072 0.000 2.700 447 L HA 0.031 4.372 4.340 0.001 0.000 0.276 447 L C -0.973 175.792 176.870 -0.175 0.000 1.200 447 L CA -0.718 54.072 54.840 -0.083 0.000 0.951 447 L CB 0.061 42.084 42.059 -0.060 0.000 1.226 447 L HN 0.508 nan 8.230 nan 0.000 0.489 448 P HA -0.188 nan 4.420 nan 0.000 0.218 448 P C 1.355 178.574 177.300 -0.135 0.000 1.146 448 P CA 1.476 64.500 63.100 -0.125 0.000 0.813 448 P CB 0.006 31.669 31.700 -0.063 0.000 0.778 449 H N 0.203 119.220 119.070 -0.089 0.000 2.543 449 H HA -0.029 4.528 4.556 0.001 0.000 0.286 449 H C 0.883 176.164 175.328 -0.079 0.000 1.037 449 H CA 0.960 56.964 56.048 -0.073 0.000 1.250 449 H CB -0.682 29.041 29.762 -0.065 0.000 1.373 449 H HN 0.201 nan 8.280 nan 0.000 0.580 450 K N -0.032 120.057 120.400 -0.518 0.000 2.618 450 K HA 0.398 4.719 4.320 0.001 0.000 0.207 450 K C -0.124 176.314 176.600 -0.271 0.000 1.058 450 K CA 0.103 56.176 56.287 -0.356 0.000 1.086 450 K CB 0.987 33.252 32.500 -0.392 0.000 0.827 450 K HN 0.238 nan 8.250 nan 0.000 0.481 451 V N -0.558 119.141 119.914 -0.358 0.000 3.799 451 V HA 0.069 4.190 4.120 0.001 0.000 0.274 451 V C 1.359 177.130 176.094 -0.540 0.000 1.719 451 V CA 0.682 62.687 62.300 -0.492 0.000 1.171 451 V CB 0.999 32.405 31.823 -0.695 0.000 0.963 451 V HN 0.387 nan 8.190 nan 0.000 0.383 452 A N -0.618 121.969 122.820 -0.388 0.000 2.015 452 A HA -0.170 4.150 4.320 0.001 0.000 0.219 452 A C 1.581 178.868 177.584 -0.495 0.000 1.163 452 A CA 2.163 53.967 52.037 -0.389 0.000 0.646 452 A CB -0.510 18.271 19.000 -0.365 0.000 0.806 452 A HN 0.738 nan 8.150 nan 0.000 0.448 453 H N -2.265 116.555 119.070 -0.416 0.000 2.544 453 H HA 0.198 4.755 4.556 0.001 0.000 0.269 453 H C 1.314 176.443 175.328 -0.333 0.000 0.970 453 H CA 0.770 56.592 56.048 -0.377 0.000 1.219 453 H CB -0.163 29.418 29.762 -0.302 0.000 1.421 453 H HN 0.590 nan 8.280 nan 0.000 0.555 454 F N 1.661 121.587 119.950 -0.039 0.000 2.365 454 F HA -0.152 4.376 4.527 0.001 0.000 0.300 454 F C 2.336 177.990 175.800 -0.243 0.000 1.090 454 F CA 0.575 58.582 58.000 0.012 0.000 1.408 454 F CB -0.039 39.006 39.000 0.074 0.000 1.060 454 F HN 0.208 nan 8.300 nan 0.000 0.534 455 K N 0.201 120.373 120.400 -0.380 0.000 2.360 455 K HA -0.199 4.121 4.320 0.001 0.000 0.201 455 K C 0.826 177.092 176.600 -0.556 0.000 1.046 455 K CA 1.862 57.534 56.287 -1.025 0.000 0.940 455 K CB -0.275 31.661 32.500 -0.939 0.000 0.748 455 K HN 0.215 nan 8.250 nan 0.000 0.465 456 D N -0.168 119.976 120.400 -0.427 0.000 2.240 456 D HA -0.017 4.623 4.640 0.001 0.000 0.206 456 D C 1.456 177.525 176.300 -0.386 0.000 0.963 456 D CA 0.887 54.602 54.000 -0.476 0.000 0.863 456 D CB 0.032 40.401 40.800 -0.720 0.000 0.973 456 D HN 0.379 nan 8.370 nan 0.000 0.501 457 Y N 0.571 120.905 120.300 0.058 0.000 2.343 457 Y HA 0.176 4.727 4.550 0.001 0.000 0.294 457 Y C 2.428 178.408 175.900 0.133 0.000 1.122 457 Y CA -0.146 58.010 58.100 0.094 0.000 1.173 457 Y CB -0.038 38.499 38.460 0.128 0.000 1.077 457 Y HN -0.202 nan 8.280 nan 0.000 0.542 458 I N 0.882 121.643 120.570 0.319 0.000 2.145 458 I HA -0.284 3.887 4.170 0.001 0.000 0.244 458 I C -0.820 175.525 176.117 0.380 0.000 1.075 458 I CA 1.619 63.142 61.300 0.371 0.000 1.332 458 I CB -1.405 36.850 38.000 0.426 0.000 1.033 458 I HN 0.168 nan 8.210 nan 0.000 0.410 459 P HA -0.176 nan 4.420 nan 0.000 0.218 459 P C 1.392 178.815 177.300 0.206 0.000 1.148 459 P CA 1.407 64.655 63.100 0.248 0.000 0.822 459 P CB -0.008 31.810 31.700 0.197 0.000 0.784 460 Q N -1.092 118.815 119.800 0.179 0.000 2.245 460 Q HA 0.036 4.377 4.340 0.001 0.000 0.201 460 Q C 2.152 178.214 176.000 0.103 0.000 0.955 460 Q CA 1.168 57.048 55.803 0.129 0.000 0.870 460 Q CB -0.525 28.288 28.738 0.124 0.000 0.945 460 Q HN 0.158 nan 8.270 nan 0.000 0.461 461 A N -0.072 122.838 122.820 0.151 0.000 2.014 461 A HA -0.047 4.274 4.320 0.001 0.000 0.218 461 A C 0.379 177.837 177.584 -0.209 0.000 1.163 461 A CA 0.850 52.879 52.037 -0.013 0.000 0.652 461 A CB 0.135 19.182 19.000 0.078 0.000 0.808 461 A HN 0.292 nan 8.150 nan 0.000 0.449 462 F N -0.195 119.798 119.950 0.071 0.000 2.622 462 F HA 0.339 4.867 4.527 0.001 0.000 0.338 462 F C -2.654 173.214 175.800 0.113 0.000 1.334 462 F CA -2.835 55.238 58.000 0.121 0.000 1.179 462 F CB 0.898 40.006 39.000 0.179 0.000 1.471 462 F HN -0.076 nan 8.300 nan 0.000 0.576 463 P HA 0.060 nan 4.420 nan 0.000 0.263 463 P C 0.896 178.299 177.300 0.170 0.000 1.175 463 P CA 0.972 64.156 63.100 0.140 0.000 0.761 463 P CB 0.644 32.389 31.700 0.077 0.000 0.794 464 G N 2.413 111.288 108.800 0.125 0.000 2.321 464 G HA2 -0.165 3.796 3.960 0.001 0.000 0.287 464 G HA3 -0.165 3.796 3.960 0.001 0.000 0.287 464 G C 0.547 175.478 174.900 0.052 0.000 1.018 464 G CA 0.017 45.175 45.100 0.095 0.000 0.855 464 G HN 0.896 nan 8.290 nan 0.000 0.507 465 G N -0.409 108.399 108.800 0.014 0.000 2.873 465 G HA2 0.598 4.559 3.960 0.001 0.000 0.340 465 G HA3 0.598 4.559 3.960 0.001 0.000 0.340 465 G C 0.563 175.203 174.900 -0.434 0.000 1.171 465 G CA 0.287 45.156 45.100 -0.386 0.000 1.113 465 G HN 0.688 nan 8.290 nan 0.000 0.471 466 H N 0.756 119.686 119.070 -0.234 0.000 2.389 466 H HA 0.062 4.619 4.556 0.001 0.000 0.299 466 H C 1.456 176.620 175.328 -0.273 0.000 1.081 466 H CA 0.812 56.743 56.048 -0.195 0.000 1.345 466 H CB -0.067 29.626 29.762 -0.114 0.000 1.393 466 H HN 0.448 nan 8.280 nan 0.000 0.520 467 S N 0.428 116.004 115.700 -0.206 0.000 2.599 467 S HA 0.716 5.187 4.470 0.001 0.000 0.287 467 S C -0.476 173.882 174.600 -0.402 0.000 1.105 467 S CA -0.533 57.557 58.200 -0.183 0.000 0.899 467 S CB 2.655 65.904 63.200 0.082 0.000 1.100 467 S HN 0.621 nan 8.310 nan 0.000 0.482 468 M N 0.416 119.845 119.600 -0.284 0.000 2.918 468 M HA 0.540 5.021 4.480 0.001 0.000 0.272 468 M C -2.468 173.689 176.300 -0.239 0.000 1.082 468 M CA -1.000 54.163 55.300 -0.229 0.000 0.799 468 M CB 1.328 33.658 32.600 -0.449 0.000 1.659 468 M HN 0.465 nan 8.290 nan 0.000 0.533 469 I N 2.925 123.380 120.570 -0.191 0.000 2.500 469 I HA 0.574 4.744 4.170 0.001 0.000 0.286 469 I C -1.421 174.552 176.117 -0.241 0.000 1.063 469 I CA -0.491 60.580 61.300 -0.383 0.000 1.062 469 I CB 1.381 39.045 38.000 -0.560 0.000 1.223 469 I HN 0.636 nan 8.210 nan 0.000 0.435 470 L N 5.028 126.121 121.223 -0.217 0.000 2.333 470 L HA 0.616 4.956 4.340 0.001 0.000 0.269 470 L C -0.080 176.697 176.870 -0.154 0.000 1.010 470 L CA -0.296 54.449 54.840 -0.159 0.000 0.818 470 L CB 1.411 43.374 42.059 -0.160 0.000 1.306 470 L HN 0.386 nan 8.230 nan 0.000 0.430 471 D N 0.425 120.709 120.400 -0.194 0.000 2.408 471 D HA 0.679 5.319 4.640 0.001 0.000 0.243 471 D C -0.944 174.872 176.300 -0.806 0.000 1.075 471 D CA 0.077 53.942 54.000 -0.226 0.000 0.832 471 D CB 1.596 42.447 40.800 0.085 0.000 1.162 471 D HN 0.596 nan 8.370 nan 0.000 0.515 472 S N 2.142 117.435 115.700 -0.679 0.000 2.705 472 S HA 0.706 5.176 4.470 0.001 0.000 0.280 472 S C -0.845 173.687 174.600 -0.114 0.000 1.174 472 S CA -0.944 56.808 58.200 -0.747 0.000 0.823 472 S CB 2.171 65.165 63.200 -0.343 0.000 1.162 472 S HN 0.266 nan 8.310 nan 0.000 0.487 473 E N -0.158 120.108 120.200 0.111 0.000 2.222 473 E HA 0.658 5.009 4.350 0.001 0.000 0.267 473 E C -1.644 175.052 176.600 0.161 0.000 0.884 473 E CA -0.806 55.737 56.400 0.239 0.000 0.764 473 E CB 2.032 31.929 29.700 0.328 0.000 1.169 473 E HN 0.618 nan 8.360 nan 0.000 0.413 474 V N 5.463 125.485 119.914 0.180 0.000 2.483 474 V HA 0.647 4.767 4.120 0.001 0.000 0.295 474 V C -1.090 175.133 176.094 0.214 0.000 1.035 474 V CA -0.370 62.046 62.300 0.194 0.000 0.896 474 V CB 0.983 32.922 31.823 0.192 0.000 0.986 474 V HN 0.647 nan 8.190 nan 0.000 0.447 475 L N 5.190 126.559 121.223 0.242 0.000 2.415 475 L HA 0.526 4.866 4.340 0.001 0.000 0.256 475 L C -0.835 176.132 176.870 0.161 0.000 1.010 475 L CA -0.338 54.622 54.840 0.200 0.000 0.826 475 L CB 2.101 44.291 42.059 0.218 0.000 1.405 475 L HN 0.457 nan 8.230 nan 0.000 0.410 476 L N 3.223 124.495 121.223 0.081 0.000 2.260 476 L HA 0.493 4.833 4.340 0.001 0.000 0.289 476 L C -0.739 176.120 176.870 -0.018 0.000 1.057 476 L CA -0.134 54.711 54.840 0.009 0.000 0.811 476 L CB 0.682 42.712 42.059 -0.050 0.000 1.184 476 L HN 0.531 nan 8.230 nan 0.000 0.429 477 I N 4.158 124.727 120.570 -0.002 0.000 2.359 477 I HA 0.108 4.279 4.170 0.001 0.000 0.294 477 I C 0.081 176.155 176.117 -0.071 0.000 0.987 477 I CA -0.626 60.677 61.300 0.005 0.000 1.225 477 I CB 1.674 39.716 38.000 0.070 0.000 1.366 477 I HN 0.501 nan 8.210 nan 0.000 0.466 478 D N 5.101 125.448 120.400 -0.089 0.000 2.368 478 D HA -0.055 4.585 4.640 0.001 0.000 0.268 478 D C 0.835 177.117 176.300 -0.030 0.000 1.298 478 D CA 0.582 54.532 54.000 -0.083 0.000 0.938 478 D CB 0.389 41.147 40.800 -0.069 0.000 1.101 478 D HN 0.398 nan 8.370 nan 0.000 0.509 479 N N 3.119 121.803 118.700 -0.028 0.000 2.244 479 N HA -0.152 4.589 4.740 0.001 0.000 0.183 479 N C 1.686 177.192 175.510 -0.007 0.000 1.016 479 N CA 1.710 54.748 53.050 -0.019 0.000 0.866 479 N CB 0.111 38.584 38.487 -0.024 0.000 0.980 479 N HN 0.431 nan 8.380 nan 0.000 0.430 480 K N -0.601 119.800 120.400 0.002 0.000 2.418 480 K HA 0.095 4.416 4.320 0.001 0.000 0.195 480 K C 1.731 178.337 176.600 0.010 0.000 1.035 480 K CA 1.397 57.689 56.287 0.008 0.000 1.003 480 K CB -0.714 31.796 32.500 0.017 0.000 0.793 480 K HN 0.508 nan 8.250 nan 0.000 0.494 481 T N -6.519 108.041 114.554 0.010 0.000 2.969 481 T HA 0.370 4.721 4.350 0.001 0.000 0.258 481 T C 1.856 176.566 174.700 0.018 0.000 0.962 481 T CA 1.282 63.391 62.100 0.014 0.000 0.903 481 T CB 0.574 69.451 68.868 0.015 0.000 1.177 481 T HN 1.229 nan 8.240 nan 0.000 0.511 482 G N 1.520 110.332 108.800 0.020 0.000 2.284 482 G HA2 -0.077 3.884 3.960 0.001 0.000 0.247 482 G HA3 -0.077 3.884 3.960 0.001 0.000 0.247 482 G C 0.432 175.365 174.900 0.055 0.000 1.012 482 G CA 0.603 45.726 45.100 0.039 0.000 0.618 482 G HN 1.141 nan 8.290 nan 0.000 0.521 483 K N 2.042 122.462 120.400 0.033 0.000 2.326 483 K HA 0.663 4.984 4.320 0.001 0.000 0.275 483 K C -1.527 175.085 176.600 0.020 0.000 1.018 483 K CA -0.593 55.711 56.287 0.028 0.000 0.962 483 K CB -0.188 32.319 32.500 0.011 0.000 0.953 483 K HN 0.404 nan 8.250 nan 0.000 0.475 484 P HA 0.420 nan 4.420 nan 0.000 0.276 484 P C -0.764 176.522 177.300 -0.023 0.000 1.252 484 P CA -0.549 62.564 63.100 0.021 0.000 0.802 484 P CB 0.568 32.290 31.700 0.036 0.000 1.035 485 L N 1.807 122.996 121.223 -0.058 0.000 2.334 485 L HA 0.509 4.849 4.340 0.001 0.000 0.272 485 L C -1.722 175.144 176.870 -0.007 0.000 1.020 485 L CA -2.285 52.496 54.840 -0.098 0.000 0.812 485 L CB 1.011 42.883 42.059 -0.312 0.000 1.264 485 L HN 0.296 nan 8.230 nan 0.000 0.439 486 P HA -0.053 nan 4.420 nan 0.000 0.271 486 P C 0.602 177.984 177.300 0.138 0.000 1.244 486 P CA -0.268 62.890 63.100 0.096 0.000 0.793 486 P CB 0.627 32.386 31.700 0.099 0.000 0.984 487 F N 1.513 121.495 119.950 0.053 0.000 2.065 487 F HA -0.132 4.396 4.527 0.001 0.000 0.298 487 F C 2.372 178.224 175.800 0.087 0.000 1.112 487 F CA 2.620 60.662 58.000 0.071 0.000 1.212 487 F CB -1.327 37.716 39.000 0.070 0.000 0.975 487 F HN 0.401 nan 8.300 nan 0.000 0.476 488 G N -1.493 107.185 108.800 -0.205 0.000 2.485 488 G HA2 -0.315 3.645 3.960 0.001 0.000 0.221 488 G HA3 -0.315 3.645 3.960 0.001 0.000 0.221 488 G C 1.631 176.410 174.900 -0.201 0.000 1.115 488 G CA 1.293 46.211 45.100 -0.303 0.000 0.751 488 G HN 0.425 nan 8.290 nan 0.000 0.567 489 T N 0.216 114.731 114.554 -0.065 0.000 3.026 489 T HA -0.004 4.346 4.350 0.001 0.000 0.271 489 T C 2.050 176.766 174.700 0.026 0.000 1.149 489 T CA 0.549 62.683 62.100 0.056 0.000 1.088 489 T CB -0.243 68.654 68.868 0.049 0.000 0.857 489 T HN 0.249 nan 8.240 nan 0.000 0.551 490 L N 0.199 121.383 121.223 -0.066 0.000 2.558 490 L HA 0.285 4.626 4.340 0.001 0.000 0.225 490 L C 1.570 178.484 176.870 0.074 0.000 1.128 490 L CA -0.435 54.404 54.840 -0.002 0.000 0.868 490 L CB -0.359 41.678 42.059 -0.036 0.000 1.006 490 L HN 0.222 nan 8.230 nan 0.000 0.454 491 G N -0.680 108.127 108.800 0.013 0.000 2.484 491 G HA2 0.187 4.147 3.960 0.001 0.000 0.235 491 G HA3 0.187 4.147 3.960 0.001 0.000 0.235 491 G C 1.124 175.982 174.900 -0.069 0.000 1.282 491 G CA -0.274 44.825 45.100 -0.001 0.000 0.857 491 G HN -0.004 nan 8.290 nan 0.000 0.571 492 V N 1.889 121.593 119.914 -0.350 0.000 2.252 492 V HA -0.288 3.833 4.120 0.001 0.000 0.249 492 V C 2.253 178.154 176.094 -0.321 0.000 1.056 492 V CA 2.501 64.440 62.300 -0.602 0.000 1.022 492 V CB -1.301 29.987 31.823 -0.892 0.000 0.641 492 V HN 0.855 nan 8.190 nan 0.000 0.445 493 H N -0.293 118.716 119.070 -0.101 0.000 2.470 493 H HA 0.018 4.575 4.556 0.001 0.000 0.289 493 H C 2.286 177.592 175.328 -0.038 0.000 1.033 493 H CA 0.819 56.828 56.048 -0.065 0.000 1.331 493 H CB 0.058 29.785 29.762 -0.059 0.000 1.414 493 H HN 0.319 nan 8.280 nan 0.000 0.545 494 K N 1.128 121.573 120.400 0.076 0.000 2.021 494 K HA -0.090 4.230 4.320 0.001 0.000 0.205 494 K C 1.980 178.684 176.600 0.172 0.000 1.047 494 K CA 0.498 56.842 56.287 0.094 0.000 0.943 494 K CB -0.236 32.329 32.500 0.108 0.000 0.725 494 K HN 0.184 nan 8.250 nan 0.000 0.439 495 K N 0.985 121.477 120.400 0.154 0.000 2.127 495 K HA -0.235 4.086 4.320 0.001 0.000 0.212 495 K C 2.024 178.728 176.600 0.173 0.000 1.050 495 K CA 1.839 58.233 56.287 0.179 0.000 0.929 495 K CB -0.129 32.431 32.500 0.100 0.000 0.715 495 K HN 0.171 nan 8.250 nan 0.000 0.457 496 A N 0.441 123.310 122.820 0.082 0.000 1.968 496 A HA -0.012 4.308 4.320 0.001 0.000 0.217 496 A C 2.243 179.836 177.584 0.015 0.000 1.169 496 A CA 1.577 53.642 52.037 0.047 0.000 0.638 496 A CB -0.541 18.483 19.000 0.041 0.000 0.812 496 A HN 0.484 nan 8.150 nan 0.000 0.446 497 A N -0.526 122.260 122.820 -0.057 0.000 1.940 497 A HA 0.083 4.404 4.320 0.001 0.000 0.219 497 A C 0.718 178.136 177.584 -0.277 0.000 1.176 497 A CA 0.500 52.400 52.037 -0.227 0.000 0.631 497 A CB -0.624 18.133 19.000 -0.406 0.000 0.814 497 A HN 0.406 nan 8.150 nan 0.000 0.446 498 F N -1.105 118.847 119.950 0.003 0.000 2.456 498 F HA 0.456 4.984 4.527 0.001 0.000 0.358 498 F C 1.518 177.315 175.800 -0.005 0.000 1.095 498 F CA 0.524 58.525 58.000 0.002 0.000 1.216 498 F CB 1.032 40.035 39.000 0.004 0.000 1.125 498 F HN 0.266 nan 8.300 nan 0.000 0.549 499 Q N 1.339 121.238 119.800 0.165 0.000 2.204 499 Q HA 0.267 4.607 4.340 0.001 0.000 0.209 499 Q C 0.585 176.633 176.000 0.080 0.000 0.861 499 Q CA 0.751 56.606 55.803 0.086 0.000 0.971 499 Q CB -0.563 28.203 28.738 0.046 0.000 1.095 499 Q HN 0.926 nan 8.270 nan 0.000 0.486 500 D N -1.134 119.332 120.400 0.110 0.000 2.469 500 D HA 0.654 5.294 4.640 0.001 0.000 0.240 500 D C 0.913 177.225 176.300 0.020 0.000 1.087 500 D CA 0.797 54.833 54.000 0.060 0.000 0.876 500 D CB 0.456 41.298 40.800 0.070 0.000 1.160 500 D HN 0.860 nan 8.370 nan 0.000 0.497 501 A N -0.007 122.826 122.820 0.021 0.000 2.365 501 A HA 0.658 4.979 4.320 0.001 0.000 0.318 501 A C -0.660 176.901 177.584 -0.039 0.000 1.091 501 A CA -0.497 51.522 52.037 -0.030 0.000 0.763 501 A CB 1.646 20.593 19.000 -0.088 0.000 1.248 501 A HN 0.215 nan 8.150 nan 0.000 0.442 502 N N 0.262 118.920 118.700 -0.070 0.000 2.545 502 N HA 0.463 5.204 4.740 0.001 0.000 0.289 502 N C -0.888 174.576 175.510 -0.078 0.000 1.279 502 N CA -0.506 52.483 53.050 -0.102 0.000 0.824 502 N CB 1.946 40.324 38.487 -0.182 0.000 1.395 502 N HN 0.431 nan 8.380 nan 0.000 0.526 503 V N 0.525 120.385 119.914 -0.090 0.000 2.811 503 V HA 0.265 4.385 4.120 0.001 0.000 0.302 503 V C 0.012 176.171 176.094 0.108 0.000 1.063 503 V CA -0.092 62.204 62.300 -0.007 0.000 1.088 503 V CB 0.468 32.253 31.823 -0.063 0.000 0.982 503 V HN 0.728 nan 8.190 nan 0.000 0.485 504 C N 7.313 126.745 119.300 0.219 0.000 2.797 504 C HA 0.602 5.062 4.460 0.001 0.000 0.306 504 C C -1.069 173.981 174.990 0.101 0.000 1.207 504 C CA -0.975 58.147 59.018 0.173 0.000 1.507 504 C CB 1.307 29.025 27.740 -0.037 0.000 2.028 504 C HN 0.899 nan 8.230 nan 0.000 0.475 505 L N 4.429 125.504 121.223 -0.248 0.000 2.333 505 L HA 0.574 4.915 4.340 0.001 0.000 0.280 505 L C -1.348 175.195 176.870 -0.545 0.000 1.004 505 L CA -0.208 54.401 54.840 -0.386 0.000 0.820 505 L CB 1.335 42.892 42.059 -0.837 0.000 1.247 505 L HN 0.729 nan 8.230 nan 0.000 0.416 506 F N 3.956 123.731 119.950 -0.292 0.000 2.308 506 F HA 0.280 4.808 4.527 0.001 0.000 0.370 506 F C 0.390 176.042 175.800 -0.246 0.000 1.100 506 F CA -0.620 57.192 58.000 -0.313 0.000 1.108 506 F CB 1.420 40.042 39.000 -0.630 0.000 1.293 506 F HN 0.022 nan 8.300 nan 0.000 0.478 507 V N 5.420 125.255 119.914 -0.132 0.000 2.405 507 V HA -0.007 4.113 4.120 0.001 0.000 0.264 507 V C 0.438 176.543 176.094 0.018 0.000 1.048 507 V CA -0.185 62.015 62.300 -0.167 0.000 0.966 507 V CB -0.071 31.673 31.823 -0.132 0.000 1.015 507 V HN 0.646 nan 8.190 nan 0.000 0.477 508 F N 0.924 120.960 119.950 0.143 0.000 2.653 508 F HA 0.639 5.167 4.527 0.001 0.000 0.304 508 F C 0.192 176.089 175.800 0.162 0.000 1.092 508 F CA -0.784 57.311 58.000 0.159 0.000 1.279 508 F CB 0.151 39.238 39.000 0.146 0.000 1.044 508 F HN 0.408 nan 8.300 nan 0.000 0.564 509 D N -0.507 119.999 120.400 0.176 0.000 2.694 509 D HA 0.277 4.918 4.640 0.001 0.000 0.260 509 D C -1.819 174.543 176.300 0.104 0.000 1.250 509 D CA -0.255 53.897 54.000 0.252 0.000 0.763 509 D CB 2.428 43.517 40.800 0.482 0.000 1.311 509 D HN 0.094 nan 8.370 nan 0.000 0.420 510 C N 3.316 122.672 119.300 0.094 0.000 2.679 510 C HA 0.500 4.960 4.460 0.001 0.000 0.354 510 C C 1.251 176.207 174.990 -0.057 0.000 1.067 510 C CA -0.467 58.570 59.018 0.032 0.000 1.317 510 C CB -0.880 26.935 27.740 0.126 0.000 1.843 510 C HN 0.601 nan 8.230 nan 0.000 0.459 511 I N 3.068 123.542 120.570 -0.159 0.000 2.716 511 I HA 0.150 4.320 4.170 0.001 0.000 0.259 511 I C 0.158 176.239 176.117 -0.059 0.000 1.172 511 I CA 0.763 61.924 61.300 -0.231 0.000 1.478 511 I CB 0.034 37.803 38.000 -0.385 0.000 1.104 511 I HN 0.703 nan 8.210 nan 0.000 0.439 512 Y N -0.002 120.190 120.300 -0.180 0.000 2.521 512 Y HA 0.479 5.030 4.550 0.001 0.000 0.328 512 Y C -1.902 173.961 175.900 -0.062 0.000 1.151 512 Y CA -1.296 56.714 58.100 -0.150 0.000 1.054 512 Y CB 1.753 40.090 38.460 -0.204 0.000 1.338 512 Y HN -0.121 nan 8.280 nan 0.000 0.453 513 F N 5.236 124.912 119.950 -0.457 0.000 2.672 513 F HA 0.305 4.833 4.527 0.001 0.000 0.311 513 F C -0.646 174.953 175.800 -0.335 0.000 1.113 513 F CA -0.956 56.879 58.000 -0.276 0.000 0.996 513 F CB 1.284 40.126 39.000 -0.263 0.000 1.286 513 F HN 0.647 nan 8.300 nan 0.000 0.441 514 N N 5.101 123.526 118.700 -0.459 0.000 2.722 514 N HA -0.234 4.507 4.740 0.001 0.000 0.274 514 N C -0.509 174.960 175.510 -0.067 0.000 0.987 514 N CA 1.845 54.767 53.050 -0.213 0.000 0.817 514 N CB -0.840 37.531 38.487 -0.194 0.000 0.921 514 N HN 0.761 nan 8.380 nan 0.000 0.565 515 D N -3.966 116.340 120.400 -0.157 0.000 3.076 515 D HA -0.185 4.456 4.640 0.001 0.000 0.218 515 D C -0.497 175.531 176.300 -0.453 0.000 1.156 515 D CA 0.819 54.721 54.000 -0.163 0.000 0.921 515 D CB -1.468 39.349 40.800 0.028 0.000 1.113 515 D HN 0.294 nan 8.370 nan 0.000 0.418 516 V N 0.363 119.781 119.914 -0.828 0.000 2.638 516 V HA 0.420 4.541 4.120 0.001 0.000 0.306 516 V C 0.184 175.874 176.094 -0.674 0.000 1.052 516 V CA -0.724 61.253 62.300 -0.539 0.000 0.885 516 V CB 2.127 33.781 31.823 -0.283 0.000 0.999 516 V HN 0.167 nan 8.190 nan 0.000 0.424 517 S N 3.924 119.422 115.700 -0.337 0.000 2.584 517 S HA 0.590 5.060 4.470 0.001 0.000 0.273 517 S C 0.277 174.798 174.600 -0.132 0.000 1.311 517 S CA -0.436 57.681 58.200 -0.139 0.000 1.034 517 S CB 0.571 63.791 63.200 0.033 0.000 0.939 517 S HN 0.622 nan 8.310 nan 0.000 0.513 518 L N 4.775 125.938 121.223 -0.099 0.000 3.168 518 L HA 0.260 4.601 4.340 0.001 0.000 0.277 518 L C 1.438 178.307 176.870 -0.002 0.000 1.245 518 L CA -0.060 54.727 54.840 -0.089 0.000 1.035 518 L CB -0.151 41.814 42.059 -0.156 0.000 1.399 518 L HN 0.670 nan 8.230 nan 0.000 0.580 519 M N -0.278 119.339 119.600 0.029 0.000 2.374 519 M HA -0.108 4.372 4.480 0.001 0.000 0.264 519 M C 0.859 177.239 176.300 0.132 0.000 1.067 519 M CA 1.408 56.779 55.300 0.119 0.000 1.103 519 M CB -0.179 32.503 32.600 0.137 0.000 1.402 519 M HN 0.220 nan 8.290 nan 0.000 0.444 520 D N 0.105 120.549 120.400 0.074 0.000 2.346 520 D HA 0.089 4.730 4.640 0.001 0.000 0.206 520 D C 0.539 176.882 176.300 0.071 0.000 1.001 520 D CA 0.366 54.406 54.000 0.067 0.000 0.871 520 D CB 0.248 41.072 40.800 0.040 0.000 0.943 520 D HN 0.232 nan 8.370 nan 0.000 0.518 521 R N 1.169 121.709 120.500 0.067 0.000 2.641 521 R HA 0.277 4.617 4.340 0.001 0.000 0.269 521 R C -2.338 174.028 176.300 0.111 0.000 1.074 521 R CA -1.336 54.806 56.100 0.070 0.000 1.133 521 R CB 0.207 30.532 30.300 0.042 0.000 1.029 521 R HN -0.030 nan 8.270 nan 0.000 0.488 522 P HA -0.026 nan 4.420 nan 0.000 0.275 522 P C 0.460 177.869 177.300 0.182 0.000 1.228 522 P CA -0.432 62.751 63.100 0.139 0.000 0.786 522 P CB 0.549 32.314 31.700 0.109 0.000 0.927 523 L N 4.237 125.604 121.223 0.239 0.000 2.054 523 L HA -0.286 4.055 4.340 0.001 0.000 0.220 523 L C 2.105 179.140 176.870 0.275 0.000 1.081 523 L CA 2.418 57.434 54.840 0.293 0.000 0.780 523 L CB -1.647 40.633 42.059 0.368 0.000 0.893 523 L HN 0.595 nan 8.230 nan 0.000 0.438 524 C N -1.712 117.779 119.300 0.319 0.000 2.411 524 C HA -0.144 4.317 4.460 0.001 0.000 0.279 524 C C 2.503 177.592 174.990 0.164 0.000 1.288 524 C CA 0.897 60.114 59.018 0.332 0.000 1.764 524 C CB -1.573 26.330 27.740 0.272 0.000 1.974 524 C HN 0.735 nan 8.230 nan 0.000 0.498 525 E N 0.557 120.841 120.200 0.140 0.000 2.112 525 E HA -0.067 4.283 4.350 0.001 0.000 0.190 525 E C 2.580 179.257 176.600 0.127 0.000 0.979 525 E CA 0.407 56.874 56.400 0.111 0.000 0.814 525 E CB -0.111 29.648 29.700 0.098 0.000 0.762 525 E HN 0.622 nan 8.360 nan 0.000 0.460 526 R N 0.341 120.922 120.500 0.136 0.000 2.081 526 R HA -0.079 4.261 4.340 0.001 0.000 0.235 526 R C 2.619 179.015 176.300 0.160 0.000 1.131 526 R CA 1.206 57.394 56.100 0.145 0.000 0.960 526 R CB -0.292 30.102 30.300 0.156 0.000 0.856 526 R HN 0.053 nan 8.270 nan 0.000 0.436 527 R N 1.587 122.138 120.500 0.085 0.000 2.115 527 R HA -0.151 4.190 4.340 0.001 0.000 0.230 527 R C 1.880 178.149 176.300 -0.053 0.000 1.111 527 R CA 1.574 57.674 56.100 0.000 0.000 0.976 527 R CB -0.047 30.105 30.300 -0.247 0.000 0.870 527 R HN -0.049 nan 8.270 nan 0.000 0.445 528 K N 0.201 120.573 120.400 -0.047 0.000 2.026 528 K HA -0.142 4.179 4.320 0.001 0.000 0.208 528 K C 1.916 178.517 176.600 0.002 0.000 1.048 528 K CA 1.554 57.793 56.287 -0.080 0.000 0.929 528 K CB -0.786 31.697 32.500 -0.027 0.000 0.713 528 K HN 0.153 nan 8.250 nan 0.000 0.439 529 F N 0.807 120.736 119.950 -0.035 0.000 2.126 529 F HA -0.144 4.384 4.527 0.001 0.000 0.299 529 F C 1.792 177.575 175.800 -0.028 0.000 1.096 529 F CA 1.377 59.340 58.000 -0.062 0.000 1.255 529 F CB -0.144 38.801 39.000 -0.092 0.000 0.997 529 F HN 0.007 nan 8.300 nan 0.000 0.479 530 L N -0.559 120.853 121.223 0.314 0.000 1.978 530 L HA -0.357 3.983 4.340 0.001 0.000 0.218 530 L C 2.549 179.633 176.870 0.356 0.000 1.075 530 L CA 1.991 57.054 54.840 0.372 0.000 0.767 530 L CB -0.938 41.423 42.059 0.503 0.000 0.890 530 L HN 0.212 nan 8.230 nan 0.000 0.434 531 H N -0.959 118.136 119.070 0.042 0.000 2.389 531 H HA -0.140 4.417 4.556 0.001 0.000 0.299 531 H C 1.827 177.081 175.328 -0.123 0.000 1.081 531 H CA 1.262 57.227 56.048 -0.139 0.000 1.345 531 H CB -0.323 29.217 29.762 -0.368 0.000 1.393 531 H HN 0.293 nan 8.280 nan 0.000 0.520 532 D N -0.598 119.761 120.400 -0.068 0.000 2.310 532 D HA -0.060 4.580 4.640 0.001 0.000 0.212 532 D C 1.089 177.209 176.300 -0.299 0.000 0.965 532 D CA 0.777 54.646 54.000 -0.218 0.000 0.879 532 D CB 0.060 40.662 40.800 -0.331 0.000 0.921 532 D HN 0.469 nan 8.370 nan 0.000 0.510 533 N N -0.959 117.558 118.700 -0.304 0.000 2.239 533 N HA 0.073 4.813 4.740 0.001 0.000 0.208 533 N C 0.285 175.652 175.510 -0.240 0.000 1.200 533 N CA -0.104 52.770 53.050 -0.293 0.000 0.895 533 N CB 1.344 39.530 38.487 -0.501 0.000 1.085 533 N HN 0.195 nan 8.380 nan 0.000 0.500 534 M N 1.887 121.315 119.600 -0.287 0.000 2.423 534 M HA 0.361 4.842 4.480 0.001 0.000 0.335 534 M C -1.338 174.791 176.300 -0.286 0.000 1.177 534 M CA -0.421 54.496 55.300 -0.639 0.000 1.038 534 M CB 2.000 33.920 32.600 -1.134 0.000 1.641 534 M HN -0.371 nan 8.290 nan 0.000 0.455 535 V N 3.631 123.335 119.914 -0.350 0.000 2.459 535 V HA 0.312 4.433 4.120 0.001 0.000 0.295 535 V C -0.330 175.614 176.094 -0.250 0.000 1.029 535 V CA -0.659 61.537 62.300 -0.174 0.000 0.874 535 V CB 1.633 33.385 31.823 -0.118 0.000 0.985 535 V HN 0.904 nan 8.190 nan 0.000 0.438 536 E N 3.462 123.565 120.200 -0.160 0.000 2.316 536 E HA 0.376 4.727 4.350 0.001 0.000 0.275 536 E C -0.560 175.943 176.600 -0.162 0.000 1.029 536 E CA -0.431 55.830 56.400 -0.232 0.000 0.871 536 E CB 1.042 30.693 29.700 -0.082 0.000 1.022 536 E HN 0.662 nan 8.360 nan 0.000 0.418 537 I N 3.220 123.676 120.570 -0.189 0.000 2.354 537 I HA 0.406 4.576 4.170 0.001 0.000 0.286 537 I C -2.490 173.513 176.117 -0.189 0.000 1.007 537 I CA -2.750 58.464 61.300 -0.143 0.000 1.167 537 I CB 1.363 39.312 38.000 -0.084 0.000 1.320 537 I HN 0.306 nan 8.210 nan 0.000 0.458 538 P HA -0.134 nan 4.420 nan 0.000 0.252 538 P C -0.304 176.888 177.300 -0.180 0.000 1.126 538 P CA 0.890 63.911 63.100 -0.132 0.000 0.777 538 P CB -0.027 31.619 31.700 -0.089 0.000 0.711 539 N N 1.671 120.261 118.700 -0.183 0.000 2.800 539 N HA -0.186 4.554 4.740 0.001 0.000 0.250 539 N C 0.789 176.156 175.510 -0.238 0.000 1.078 539 N CA 0.893 53.834 53.050 -0.181 0.000 0.804 539 N CB -0.594 37.821 38.487 -0.119 0.000 1.135 539 N HN 0.475 nan 8.380 nan 0.000 0.565 540 R N -0.744 119.570 120.500 -0.310 0.000 3.609 540 R HA 0.391 4.732 4.340 0.001 0.000 0.149 540 R C 0.081 176.209 176.300 -0.287 0.000 0.948 540 R CA 0.491 56.428 56.100 -0.273 0.000 1.014 540 R CB 0.240 30.190 30.300 -0.582 0.000 1.404 540 R HN 0.092 nan 8.270 nan 0.000 0.493 541 I N 1.438 121.811 120.570 -0.329 0.000 2.389 541 I HA 0.371 4.542 4.170 0.001 0.000 0.288 541 I C -0.889 174.958 176.117 -0.451 0.000 0.999 541 I CA -0.260 60.817 61.300 -0.371 0.000 1.129 541 I CB 1.781 39.651 38.000 -0.216 0.000 1.288 541 I HN -0.015 nan 8.210 nan 0.000 0.444 542 M N 6.446 125.711 119.600 -0.559 0.000 2.324 542 M HA 0.501 4.981 4.480 0.001 0.000 0.288 542 M C -1.042 175.029 176.300 -0.381 0.000 1.097 542 M CA -0.577 54.418 55.300 -0.508 0.000 0.928 542 M CB 1.653 33.738 32.600 -0.859 0.000 1.648 542 M HN 0.195 nan 8.290 nan 0.000 0.460 543 F N 1.189 121.059 119.950 -0.132 0.000 2.553 543 F HA 0.309 4.837 4.527 0.001 0.000 0.356 543 F C 1.099 176.982 175.800 0.138 0.000 1.142 543 F CA 0.187 58.160 58.000 -0.046 0.000 1.322 543 F CB 0.492 39.397 39.000 -0.158 0.000 1.126 543 F HN 0.612 nan 8.300 nan 0.000 0.599 544 S N 1.335 117.291 115.700 0.427 0.000 2.537 544 S HA 0.240 4.710 4.470 0.001 0.000 0.275 544 S C -0.467 174.358 174.600 0.375 0.000 1.272 544 S CA -1.073 57.430 58.200 0.505 0.000 1.050 544 S CB 0.792 64.346 63.200 0.590 0.000 0.961 544 S HN 0.601 nan 8.310 nan 0.000 0.496 545 E N 2.930 123.328 120.200 0.330 0.000 2.217 545 E HA 0.170 4.520 4.350 0.001 0.000 0.279 545 E C -0.221 176.451 176.600 0.120 0.000 1.068 545 E CA 0.112 56.626 56.400 0.190 0.000 0.882 545 E CB 0.557 30.348 29.700 0.151 0.000 1.039 545 E HN 0.750 nan 8.360 nan 0.000 0.418 546 M N 1.865 121.514 119.600 0.081 0.000 2.007 546 M HA 0.392 4.872 4.480 0.001 0.000 0.285 546 M C -1.000 175.349 176.300 0.082 0.000 0.893 546 M CA -0.851 54.478 55.300 0.049 0.000 0.925 546 M CB 1.025 33.609 32.600 -0.025 0.000 1.568 546 M HN -0.024 nan 8.290 nan 0.000 0.414 547 K N 2.885 123.345 120.400 0.101 0.000 2.368 547 K HA 0.343 4.664 4.320 0.001 0.000 0.282 547 K C -0.053 176.665 176.600 0.197 0.000 1.035 547 K CA -0.429 55.929 56.287 0.119 0.000 0.973 547 K CB 1.147 33.685 32.500 0.065 0.000 0.957 547 K HN 0.620 nan 8.250 nan 0.000 0.474 548 R N 1.902 122.530 120.500 0.212 0.000 2.522 548 R HA 0.082 4.422 4.340 0.001 0.000 0.284 548 R C -0.355 175.953 176.300 0.014 0.000 1.032 548 R CA 0.154 56.320 56.100 0.110 0.000 1.049 548 R CB 0.433 30.770 30.300 0.062 0.000 0.956 548 R HN 0.320 nan 8.270 nan 0.000 0.422 549 V N 1.872 121.757 119.914 -0.048 0.000 2.876 549 V HA 0.308 4.429 4.120 0.001 0.000 0.312 549 V C 0.588 176.634 176.094 -0.080 0.000 1.085 549 V CA -0.370 61.903 62.300 -0.044 0.000 0.945 549 V CB 2.125 33.934 31.823 -0.022 0.000 1.017 549 V HN 0.939 nan 8.190 nan 0.000 0.428 550 T N 1.637 116.156 114.554 -0.059 0.000 3.220 550 T HA 0.236 4.586 4.350 0.001 0.000 0.262 550 T C -0.261 174.411 174.700 -0.047 0.000 0.843 550 T CA 0.046 62.107 62.100 -0.066 0.000 0.838 550 T CB 0.071 68.898 68.868 -0.067 0.000 1.262 550 T HN 0.473 nan 8.240 nan 0.000 0.613 551 K N 0.690 121.069 120.400 -0.034 0.000 2.468 551 K HA 0.849 5.170 4.320 0.001 0.000 0.252 551 K C 0.869 177.458 176.600 -0.018 0.000 0.932 551 K CA 0.085 56.357 56.287 -0.026 0.000 0.794 551 K CB 1.338 33.825 32.500 -0.021 0.000 1.241 551 K HN -0.040 nan 8.250 nan 0.000 0.428 552 A N 3.930 126.741 122.820 -0.015 0.000 1.915 552 A HA -0.202 4.118 4.320 0.001 0.000 0.220 552 A C 1.656 179.237 177.584 -0.004 0.000 1.198 552 A CA 2.180 54.213 52.037 -0.007 0.000 0.647 552 A CB -1.002 17.996 19.000 -0.005 0.000 0.825 552 A HN 0.745 nan 8.150 nan 0.000 0.456 553 L N -1.254 119.966 121.223 -0.005 0.000 2.042 553 L HA -0.231 4.109 4.340 0.001 0.000 0.210 553 L C 2.370 179.238 176.870 -0.003 0.000 1.076 553 L CA 1.927 56.765 54.840 -0.003 0.000 0.749 553 L CB -0.633 41.423 42.059 -0.004 0.000 0.893 553 L HN 0.434 nan 8.230 nan 0.000 0.432 554 D N -0.206 120.190 120.400 -0.006 0.000 2.178 554 D HA -0.200 4.440 4.640 0.001 0.000 0.201 554 D C 2.251 178.548 176.300 -0.004 0.000 0.980 554 D CA 0.725 54.722 54.000 -0.005 0.000 0.842 554 D CB 0.142 40.937 40.800 -0.008 0.000 0.948 554 D HN 0.194 nan 8.370 nan 0.000 0.472 555 L N -0.179 121.042 121.223 -0.004 0.000 2.023 555 L HA -0.059 4.282 4.340 0.001 0.000 0.205 555 L C 2.180 179.051 176.870 0.002 0.000 1.073 555 L CA 1.301 56.141 54.840 -0.001 0.000 0.745 555 L CB -0.299 41.760 42.059 0.001 0.000 0.900 555 L HN 0.051 nan 8.230 nan 0.000 0.435 556 A N -0.833 121.990 122.820 0.004 0.000 2.070 556 A HA -0.298 4.023 4.320 0.001 0.000 0.220 556 A C 1.799 179.385 177.584 0.002 0.000 1.159 556 A CA 2.031 54.071 52.037 0.006 0.000 0.656 556 A CB -0.713 18.291 19.000 0.007 0.000 0.800 556 A HN 0.618 nan 8.150 nan 0.000 0.453 557 D N -1.188 119.211 120.400 -0.000 0.000 2.103 557 D HA -0.126 4.515 4.640 0.001 0.000 0.199 557 D C 1.940 178.237 176.300 -0.005 0.000 0.978 557 D CA 1.403 55.401 54.000 -0.003 0.000 0.829 557 D CB -0.146 40.652 40.800 -0.003 0.000 0.981 557 D HN 0.410 nan 8.370 nan 0.000 0.464 558 M N 0.135 119.732 119.600 -0.005 0.000 2.117 558 M HA -0.132 4.349 4.480 0.001 0.000 0.262 558 M C 1.647 177.939 176.300 -0.014 0.000 1.065 558 M CA 1.141 56.436 55.300 -0.009 0.000 1.114 558 M CB -0.017 32.579 32.600 -0.007 0.000 1.361 558 M HN 0.134 nan 8.290 nan 0.000 0.408 559 I N 0.210 120.774 120.570 -0.009 0.000 2.118 559 I HA -0.311 3.859 4.170 0.001 0.000 0.241 559 I C 2.503 178.611 176.117 -0.015 0.000 1.070 559 I CA 2.248 63.542 61.300 -0.011 0.000 1.327 559 I CB -2.188 35.812 38.000 0.001 0.000 1.034 559 I HN 0.454 nan 8.210 nan 0.000 0.405 560 T N -0.186 114.362 114.554 -0.011 0.000 2.622 560 T HA -0.207 4.143 4.350 0.001 0.000 0.266 560 T C 2.042 176.732 174.700 -0.017 0.000 1.047 560 T CA 1.096 63.188 62.100 -0.012 0.000 1.159 560 T CB -0.694 68.169 68.868 -0.008 0.000 0.863 560 T HN 0.260 nan 8.240 nan 0.000 0.422 561 R N 0.387 120.878 120.500 -0.015 0.000 2.154 561 R HA -0.068 4.273 4.340 0.001 0.000 0.248 561 R C 2.391 178.677 176.300 -0.024 0.000 1.155 561 R CA 1.458 57.548 56.100 -0.017 0.000 0.979 561 R CB -0.628 29.664 30.300 -0.014 0.000 0.869 561 R HN 0.346 nan 8.270 nan 0.000 0.452 562 V N 1.021 120.917 119.914 -0.031 0.000 2.795 562 V HA -0.076 4.044 4.120 0.001 0.000 0.243 562 V C 2.041 178.106 176.094 -0.047 0.000 1.069 562 V CA 0.920 63.194 62.300 -0.043 0.000 1.089 562 V CB -0.002 31.789 31.823 -0.054 0.000 0.756 562 V HN 0.326 nan 8.190 nan 0.000 0.471 563 I N -1.444 119.100 120.570 -0.042 0.000 2.423 563 I HA -0.235 3.935 4.170 0.001 0.000 0.254 563 I C 2.396 178.489 176.117 -0.040 0.000 1.151 563 I CA 1.434 62.708 61.300 -0.045 0.000 1.421 563 I CB -0.542 37.435 38.000 -0.039 0.000 1.079 563 I HN 0.211 nan 8.210 nan 0.000 0.431 564 Q N 1.767 121.547 119.800 -0.033 0.000 1.998 564 Q HA -0.232 4.108 4.340 0.001 0.000 0.209 564 Q C 1.411 177.393 176.000 -0.030 0.000 1.002 564 Q CA 1.984 57.770 55.803 -0.028 0.000 0.858 564 Q CB -0.512 28.213 28.738 -0.022 0.000 0.932 564 Q HN 0.661 nan 8.270 nan 0.000 0.416 565 E N -0.444 119.736 120.200 -0.032 0.000 2.462 565 E HA 0.295 4.646 4.350 0.001 0.000 0.255 565 E C 0.266 176.841 176.600 -0.041 0.000 1.311 565 E CA 0.324 56.705 56.400 -0.033 0.000 1.629 565 E CB -0.549 29.136 29.700 -0.025 0.000 1.510 565 E HN 0.472 nan 8.360 nan 0.000 0.438 566 G N 1.189 109.961 108.800 -0.047 0.000 2.320 566 G HA2 -0.344 3.617 3.960 0.001 0.000 0.291 566 G HA3 -0.344 3.617 3.960 0.001 0.000 0.291 566 G C 0.359 175.224 174.900 -0.059 0.000 0.994 566 G CA 0.539 45.606 45.100 -0.055 0.000 0.760 566 G HN 0.424 nan 8.290 nan 0.000 0.514 567 L N -0.132 121.054 121.223 -0.063 0.000 2.525 567 L HA 0.073 4.413 4.340 0.001 0.000 0.278 567 L C 1.911 178.728 176.870 -0.088 0.000 1.218 567 L CA -0.504 54.288 54.840 -0.080 0.000 0.878 567 L CB 0.463 42.464 42.059 -0.096 0.000 1.127 567 L HN 0.088 nan 8.230 nan 0.000 0.492 568 E N 2.253 122.398 120.200 -0.091 0.000 2.086 568 E HA -0.111 4.239 4.350 0.001 0.000 0.200 568 E C 0.869 177.410 176.600 -0.098 0.000 1.012 568 E CA 1.210 57.559 56.400 -0.085 0.000 0.812 568 E CB -0.017 29.644 29.700 -0.065 0.000 0.743 568 E HN 0.895 nan 8.360 nan 0.000 0.453 569 G N -1.579 107.157 108.800 -0.106 0.000 2.356 569 G HA2 0.418 4.378 3.960 0.001 0.000 0.281 569 G HA3 0.418 4.378 3.960 0.001 0.000 0.281 569 G C -1.557 173.283 174.900 -0.099 0.000 1.246 569 G CA -0.739 44.306 45.100 -0.092 0.000 0.889 569 G HN 0.034 nan 8.290 nan 0.000 0.486 570 L N -0.339 120.845 121.223 -0.065 0.000 2.333 570 L HA 0.786 5.126 4.340 0.001 0.000 0.263 570 L C -0.698 176.137 176.870 -0.057 0.000 1.014 570 L CA -1.217 53.578 54.840 -0.074 0.000 0.820 570 L CB 2.364 44.397 42.059 -0.043 0.000 1.352 570 L HN 0.353 nan 8.230 nan 0.000 0.421 571 V N 3.312 123.169 119.914 -0.096 0.000 2.443 571 V HA 0.448 4.569 4.120 0.001 0.000 0.293 571 V C -0.406 175.616 176.094 -0.119 0.000 1.021 571 V CA -0.401 61.838 62.300 -0.101 0.000 0.848 571 V CB 1.868 33.581 31.823 -0.184 0.000 0.998 571 V HN 0.447 nan 8.190 nan 0.000 0.424 572 L N 5.202 126.391 121.223 -0.057 0.000 2.322 572 L HA 0.687 5.028 4.340 0.001 0.000 0.281 572 L C -0.324 176.519 176.870 -0.044 0.000 1.014 572 L CA -0.636 54.182 54.840 -0.036 0.000 0.815 572 L CB 1.653 43.719 42.059 0.012 0.000 1.247 572 L HN 0.481 nan 8.230 nan 0.000 0.421 573 K N 1.844 122.208 120.400 -0.059 0.000 2.471 573 K HA 0.269 4.590 4.320 0.001 0.000 0.252 573 K C -0.972 175.654 176.600 0.042 0.000 0.938 573 K CA -0.831 55.440 56.287 -0.026 0.000 0.796 573 K CB 2.317 34.680 32.500 -0.228 0.000 1.161 573 K HN 0.549 nan 8.250 nan 0.000 0.425 574 D N 1.716 122.165 120.400 0.081 0.000 2.390 574 D HA -0.054 4.586 4.640 0.001 0.000 0.236 574 D C 0.411 176.716 176.300 0.009 0.000 1.189 574 D CA 0.282 54.290 54.000 0.014 0.000 0.887 574 D CB 1.346 42.166 40.800 0.034 0.000 1.198 574 D HN 0.145 nan 8.370 nan 0.000 0.444 575 V N 2.728 122.587 119.914 -0.091 0.000 2.825 575 V HA -0.042 4.078 4.120 0.001 0.000 0.246 575 V C 2.085 178.201 176.094 0.038 0.000 1.068 575 V CA 0.915 63.124 62.300 -0.151 0.000 1.088 575 V CB -0.099 31.496 31.823 -0.380 0.000 0.733 575 V HN 0.514 nan 8.190 nan 0.000 0.468 576 K N 0.769 121.185 120.400 0.026 0.000 2.444 576 K HA 0.171 4.492 4.320 0.001 0.000 0.193 576 K C 0.998 177.654 176.600 0.094 0.000 1.024 576 K CA 0.225 56.546 56.287 0.057 0.000 1.077 576 K CB 0.119 32.633 32.500 0.022 0.000 0.833 576 K HN 0.449 nan 8.250 nan 0.000 0.517 577 G N 2.150 111.027 108.800 0.128 0.000 2.432 577 G HA2 0.045 4.005 3.960 0.001 0.000 0.239 577 G HA3 0.045 4.005 3.960 0.001 0.000 0.239 577 G C 0.397 175.415 174.900 0.197 0.000 1.291 577 G CA -0.092 45.107 45.100 0.166 0.000 0.863 577 G HN 0.186 nan 8.290 nan 0.000 0.560 578 T N -0.623 114.030 114.554 0.165 0.000 2.849 578 T HA 0.404 4.754 4.350 0.001 0.000 0.276 578 T C -0.326 174.493 174.700 0.199 0.000 0.971 578 T CA -0.705 61.500 62.100 0.175 0.000 0.949 578 T CB 1.171 70.111 68.868 0.120 0.000 1.093 578 T HN 0.383 nan 8.240 nan 0.000 0.545 579 Y N 0.781 121.142 120.300 0.102 0.000 2.477 579 Y HA 0.353 4.904 4.550 0.001 0.000 0.349 579 Y C 0.079 175.964 175.900 -0.025 0.000 0.977 579 Y CA -0.368 57.773 58.100 0.067 0.000 1.214 579 Y CB 0.280 38.795 38.460 0.093 0.000 1.124 579 Y HN 0.662 nan 8.280 nan 0.000 0.521 580 E N 8.639 128.546 120.200 -0.488 0.000 2.149 580 E HA 0.257 4.607 4.350 0.001 0.000 0.255 580 E C -2.616 173.680 176.600 -0.507 0.000 0.888 580 E CA -2.310 53.873 56.400 -0.362 0.000 0.742 580 E CB 1.106 30.615 29.700 -0.319 0.000 1.164 580 E HN 0.469 nan 8.360 nan 0.000 0.422 581 P HA 0.015 nan 4.420 nan 0.000 0.267 581 P C 0.833 177.951 177.300 -0.303 0.000 1.209 581 P CA 0.702 63.656 63.100 -0.245 0.000 0.763 581 P CB 0.863 32.503 31.700 -0.100 0.000 0.816 582 G N 2.515 111.135 108.800 -0.301 0.000 2.284 582 G HA2 -0.278 3.683 3.960 0.001 0.000 0.247 582 G HA3 -0.278 3.683 3.960 0.001 0.000 0.247 582 G C 0.207 174.934 174.900 -0.288 0.000 1.012 582 G CA -0.127 44.825 45.100 -0.246 0.000 0.618 582 G HN 0.523 nan 8.290 nan 0.000 0.521 583 K N 0.495 120.642 120.400 -0.421 0.000 2.249 583 K HA 0.482 4.802 4.320 0.001 0.000 0.280 583 K C 0.749 177.034 176.600 -0.526 0.000 1.033 583 K CA -0.538 55.422 56.287 -0.544 0.000 0.946 583 K CB 0.661 32.660 32.500 -0.834 0.000 1.005 583 K HN 0.189 nan 8.250 nan 0.000 0.469 584 R N 2.756 123.063 120.500 -0.320 0.000 4.138 584 R HA 0.024 4.365 4.340 0.001 0.000 0.206 584 R C -0.077 176.279 176.300 0.094 0.000 1.667 584 R CA 0.096 56.127 56.100 -0.116 0.000 1.481 584 R CB -0.130 30.156 30.300 -0.023 0.000 1.388 584 R HN 0.632 nan 8.270 nan 0.000 0.776 585 H N -0.407 118.571 119.070 -0.155 0.000 2.750 585 H HA 0.094 4.650 4.556 0.001 0.000 0.263 585 H C -0.027 175.361 175.328 0.100 0.000 0.964 585 H CA -0.218 55.795 56.048 -0.059 0.000 1.205 585 H CB 0.161 29.856 29.762 -0.111 0.000 1.454 585 H HN 0.279 nan 8.280 nan 0.000 0.503 586 W N 1.153 122.512 121.300 0.097 0.000 2.086 586 W HA 0.373 5.033 4.660 0.001 0.000 0.355 586 W C 0.070 176.625 176.519 0.059 0.000 1.313 586 W CA -0.613 56.768 57.345 0.058 0.000 1.358 586 W CB -0.071 29.402 29.460 0.022 0.000 1.166 586 W HN -0.135 nan 8.180 nan 0.000 0.630 587 L N 1.920 123.321 121.223 0.296 0.000 2.346 587 L HA 0.464 4.805 4.340 0.001 0.000 0.274 587 L C 0.105 177.061 176.870 0.143 0.000 1.007 587 L CA -0.975 53.978 54.840 0.189 0.000 0.818 587 L CB 1.481 43.635 42.059 0.159 0.000 1.284 587 L HN 0.250 nan 8.230 nan 0.000 0.424 588 K N 2.055 122.537 120.400 0.138 0.000 2.324 588 K HA 0.789 5.110 4.320 0.001 0.000 0.253 588 K C -1.603 175.120 176.600 0.205 0.000 0.932 588 K CA -0.741 55.629 56.287 0.139 0.000 0.799 588 K CB 2.530 35.120 32.500 0.150 0.000 1.154 588 K HN 0.305 nan 8.250 nan 0.000 0.425 589 V N 3.279 123.292 119.914 0.164 0.000 2.604 589 V HA 0.497 4.618 4.120 0.001 0.000 0.305 589 V C -0.844 175.293 176.094 0.071 0.000 1.043 589 V CA -0.657 61.764 62.300 0.202 0.000 0.888 589 V CB 1.632 33.517 31.823 0.105 0.000 0.995 589 V HN 0.979 nan 8.190 nan 0.000 0.429 590 K N 2.891 123.261 120.400 -0.051 0.000 2.532 590 K HA 0.478 4.798 4.320 0.001 0.000 0.265 590 K C 0.625 177.066 176.600 -0.266 0.000 0.948 590 K CA -0.948 55.182 56.287 -0.261 0.000 0.842 590 K CB 2.310 34.587 32.500 -0.370 0.000 1.392 590 K HN 0.424 nan 8.250 nan 0.000 0.436 591 K N 1.126 121.425 120.400 -0.168 0.000 2.107 591 K HA -0.287 4.033 4.320 0.001 0.000 0.211 591 K C 0.768 177.314 176.600 -0.089 0.000 1.049 591 K CA 2.555 58.783 56.287 -0.099 0.000 0.927 591 K CB -0.516 31.936 32.500 -0.079 0.000 0.714 591 K HN 0.749 nan 8.250 nan 0.000 0.452 592 D N -0.270 120.032 120.400 -0.163 0.000 2.350 592 D HA -0.165 4.476 4.640 0.001 0.000 0.216 592 D C 1.658 177.981 176.300 0.038 0.000 0.968 592 D CA 0.895 54.844 54.000 -0.086 0.000 0.894 592 D CB -0.398 40.340 40.800 -0.102 0.000 0.909 592 D HN 0.544 nan 8.370 nan 0.000 0.520 593 Y N 0.576 120.873 120.300 -0.006 0.000 2.153 593 Y HA 0.044 4.595 4.550 0.001 0.000 0.289 593 Y C 1.715 177.601 175.900 -0.024 0.000 1.119 593 Y CA -0.468 57.619 58.100 -0.020 0.000 1.116 593 Y CB 0.127 38.569 38.460 -0.029 0.000 1.004 593 Y HN -0.060 nan 8.280 nan 0.000 0.501 594 L N 2.861 124.175 121.223 0.153 0.000 2.462 594 L HA 0.012 4.352 4.340 0.001 0.000 0.272 594 L C -0.721 176.180 176.870 0.050 0.000 1.166 594 L CA 0.420 55.307 54.840 0.078 0.000 0.880 594 L CB -0.346 41.748 42.059 0.059 0.000 1.142 594 L HN 0.652 nan 8.230 nan 0.000 0.473 600 A N 1.042 123.860 122.820 -0.002 0.000 2.303 600 A HA 0.594 4.915 4.320 0.001 0.000 0.317 600 A C -0.517 177.065 177.584 -0.003 0.000 1.149 600 A CA -0.365 51.667 52.037 -0.007 0.000 0.822 600 A CB 0.579 19.583 19.000 0.007 0.000 1.131 600 A HN 0.210 nan 8.150 nan 0.000 0.493 601 D N 1.107 121.501 120.400 -0.011 0.000 2.443 601 D HA 0.423 5.063 4.640 0.001 0.000 0.239 601 D C -0.193 176.116 176.300 0.015 0.000 1.136 601 D CA 1.270 55.269 54.000 -0.002 0.000 0.879 601 D CB 0.956 41.748 40.800 -0.013 0.000 1.195 601 D HN 0.396 nan 8.370 nan 0.000 0.443 602 T N 0.237 114.807 114.554 0.027 0.000 3.012 602 T HA 0.630 4.981 4.350 0.001 0.000 0.330 602 T C -1.508 173.223 174.700 0.052 0.000 1.321 602 T CA -0.625 61.498 62.100 0.040 0.000 1.067 602 T CB 1.600 70.490 68.868 0.036 0.000 1.235 602 T HN 0.392 nan 8.240 nan 0.000 0.479 603 A N 2.261 125.120 122.820 0.066 0.000 2.427 603 A HA 0.683 5.004 4.320 0.001 0.000 0.298 603 A C -1.511 176.131 177.584 0.097 0.000 1.036 603 A CA -0.794 51.290 52.037 0.078 0.000 0.701 603 A CB 1.070 20.117 19.000 0.079 0.000 1.250 603 A HN 0.657 nan 8.150 nan 0.000 0.412 604 D N 2.599 123.059 120.400 0.100 0.000 2.422 604 D HA 0.439 5.079 4.640 0.001 0.000 0.227 604 D C -0.246 176.130 176.300 0.128 0.000 1.190 604 D CA 0.586 54.657 54.000 0.119 0.000 0.905 604 D CB 0.676 41.539 40.800 0.105 0.000 1.034 604 D HN 0.421 nan 8.370 nan 0.000 0.507 605 L N 1.213 122.516 121.223 0.134 0.000 2.334 605 L HA 0.481 4.822 4.340 0.001 0.000 0.270 605 L C -0.092 176.812 176.870 0.056 0.000 1.018 605 L CA -1.261 53.646 54.840 0.111 0.000 0.811 605 L CB 1.853 43.975 42.059 0.105 0.000 1.271 605 L HN -0.003 nan 8.230 nan 0.000 0.443 606 V N 1.945 121.880 119.914 0.035 0.000 2.465 606 V HA 0.227 4.348 4.120 0.001 0.000 0.279 606 V C 0.131 176.096 176.094 -0.216 0.000 1.045 606 V CA -0.793 61.458 62.300 -0.081 0.000 0.938 606 V CB 1.345 33.151 31.823 -0.028 0.000 0.986 606 V HN 0.365 nan 8.190 nan 0.000 0.467 607 V N 6.232 125.895 119.914 -0.419 0.000 2.555 607 V HA 0.190 4.311 4.120 0.001 0.000 0.286 607 V C 0.650 176.506 176.094 -0.396 0.000 1.044 607 V CA -0.051 61.945 62.300 -0.507 0.000 1.026 607 V CB 1.077 32.347 31.823 -0.922 0.000 0.981 607 V HN 0.648 nan 8.190 nan 0.000 0.480 608 L N 3.613 124.664 121.223 -0.287 0.000 2.614 608 L HA 0.513 4.854 4.340 0.001 0.000 0.185 608 L C 1.161 177.891 176.870 -0.235 0.000 1.098 608 L CA 1.395 56.050 54.840 -0.309 0.000 0.852 608 L CB -1.199 40.691 42.059 -0.282 0.000 1.213 608 L HN 0.750 nan 8.230 nan 0.000 0.491 609 G N -1.046 107.654 108.800 -0.168 0.000 3.016 609 G HA2 0.745 4.705 3.960 0.001 0.000 0.270 609 G HA3 0.745 4.705 3.960 0.001 0.000 0.270 609 G C -1.561 173.208 174.900 -0.218 0.000 1.352 609 G CA 0.172 45.136 45.100 -0.226 0.000 1.060 609 G HN 0.366 nan 8.290 nan 0.000 0.538 610 A N -1.308 121.226 122.820 -0.477 0.000 2.606 610 A HA 0.857 5.177 4.320 0.001 0.000 0.293 610 A C -1.779 175.309 177.584 -0.826 0.000 1.082 610 A CA -0.659 51.104 52.037 -0.456 0.000 0.685 610 A CB 1.130 19.939 19.000 -0.319 0.000 1.284 610 A HN 0.692 nan 8.150 nan 0.000 0.408 611 F N -0.777 119.009 119.950 -0.273 0.000 2.613 611 F HA 0.580 5.108 4.527 0.001 0.000 0.314 611 F C -0.643 175.006 175.800 -0.251 0.000 1.075 611 F CA -0.633 57.245 58.000 -0.204 0.000 0.945 611 F CB 1.487 40.434 39.000 -0.088 0.000 1.310 611 F HN 0.557 nan 8.300 nan 0.000 0.467 612 Y N 0.730 121.105 120.300 0.125 0.000 2.346 612 Y HA 0.481 5.032 4.550 0.001 0.000 0.330 612 Y C 0.924 176.856 175.900 0.054 0.000 1.178 612 Y CA -0.250 57.883 58.100 0.056 0.000 1.331 612 Y CB 0.811 39.299 38.460 0.046 0.000 1.253 612 Y HN 0.686 nan 8.280 nan 0.000 0.529 613 G N 1.698 110.619 108.800 0.200 0.000 2.504 613 G HA2 0.439 4.399 3.960 0.001 0.000 0.288 613 G HA3 0.439 4.399 3.960 0.001 0.000 0.288 613 G C -1.206 173.768 174.900 0.123 0.000 1.182 613 G CA -0.814 44.360 45.100 0.124 0.000 0.894 613 G HN 0.599 nan 8.290 nan 0.000 0.521 614 Q N -0.256 119.597 119.800 0.087 0.000 2.282 614 Q HA 0.539 4.879 4.340 0.001 0.000 0.260 614 Q C 0.661 176.697 176.000 0.061 0.000 0.964 614 Q CA 0.011 55.855 55.803 0.069 0.000 0.880 614 Q CB 1.979 30.755 28.738 0.063 0.000 1.286 614 Q HN 1.136 nan 8.270 nan 0.000 0.445 615 G N 1.161 109.992 108.800 0.051 0.000 2.514 615 G HA2 -0.393 3.568 3.960 0.001 0.000 0.265 615 G HA3 -0.393 3.568 3.960 0.001 0.000 0.265 615 G C 0.881 175.809 174.900 0.047 0.000 1.150 615 G CA 0.148 45.276 45.100 0.046 0.000 0.959 615 G HN 0.607 nan 8.290 nan 0.000 0.556 616 S N 0.519 116.247 115.700 0.046 0.000 2.390 616 S HA -0.152 4.319 4.470 0.001 0.000 0.234 616 S C 1.259 175.890 174.600 0.052 0.000 1.063 616 S CA 2.301 60.528 58.200 0.045 0.000 1.108 616 S CB -0.219 63.008 63.200 0.045 0.000 0.975 616 S HN 0.705 nan 8.310 nan 0.000 0.442 617 K N 1.566 122.002 120.400 0.060 0.000 2.258 617 K HA 0.630 4.951 4.320 0.001 0.000 0.284 617 K C 0.063 176.710 176.600 0.078 0.000 1.051 617 K CA 0.391 56.721 56.287 0.071 0.000 0.923 617 K CB 1.158 33.704 32.500 0.076 0.000 1.046 617 K HN 0.372 nan 8.250 nan 0.000 0.474 618 G N 0.239 109.093 108.800 0.090 0.000 2.498 618 G HA2 0.422 4.382 3.960 0.001 0.000 0.301 618 G HA3 0.422 4.382 3.960 0.001 0.000 0.301 618 G C 0.180 175.147 174.900 0.112 0.000 1.577 618 G CA -0.060 45.096 45.100 0.095 0.000 0.868 618 G HN 0.735 nan 8.290 nan 0.000 0.599 619 G N -0.437 108.445 108.800 0.136 0.000 2.187 619 G HA2 -0.246 3.715 3.960 0.001 0.000 0.261 619 G HA3 -0.246 3.715 3.960 0.001 0.000 0.261 619 G C 0.425 175.520 174.900 0.325 0.000 1.000 619 G CA 1.496 46.698 45.100 0.169 0.000 0.718 619 G HN 0.823 nan 8.290 nan 0.000 0.519 620 M N -1.137 118.643 119.600 0.300 0.000 2.761 620 M HA 0.611 5.092 4.480 0.001 0.000 0.305 620 M C 0.491 176.815 176.300 0.040 0.000 1.235 620 M CA -0.902 54.489 55.300 0.152 0.000 0.850 620 M CB 1.773 34.436 32.600 0.106 0.000 1.744 620 M HN 0.008 nan 8.290 nan 0.000 0.480 621 M N 1.034 120.597 119.600 -0.063 0.000 3.396 621 M HA 0.130 4.610 4.480 0.001 0.000 0.255 621 M C 0.952 177.048 176.300 -0.340 0.000 1.398 621 M CA -0.154 55.004 55.300 -0.236 0.000 1.554 621 M CB 0.216 32.692 32.600 -0.207 0.000 1.070 621 M HN 0.769 nan 8.290 nan 0.000 0.587 622 S N 2.249 117.827 115.700 -0.203 0.000 2.371 622 S HA 0.098 4.569 4.470 0.001 0.000 0.224 622 S C 0.728 175.145 174.600 -0.304 0.000 1.029 622 S CA 0.696 58.822 58.200 -0.123 0.000 0.978 622 S CB 0.209 63.420 63.200 0.018 0.000 0.833 622 S HN 0.575 nan 8.310 nan 0.000 0.466 623 I N 0.608 120.982 120.570 -0.327 0.000 2.664 623 I HA 0.470 4.641 4.170 0.001 0.000 0.308 623 I C -1.018 174.861 176.117 -0.398 0.000 0.984 623 I CA -0.897 60.291 61.300 -0.187 0.000 1.213 623 I CB 1.329 39.294 38.000 -0.059 0.000 1.379 623 I HN 0.108 nan 8.210 nan 0.000 0.501 624 F N 3.544 123.713 119.950 0.365 0.000 2.599 624 F HA 0.456 4.984 4.527 0.001 0.000 0.311 624 F C -0.624 175.369 175.800 0.322 0.000 1.076 624 F CA -0.806 57.377 58.000 0.305 0.000 0.937 624 F CB 1.634 40.779 39.000 0.242 0.000 1.282 624 F HN 0.159 nan 8.300 nan 0.000 0.460 625 L N 4.586 126.051 121.223 0.403 0.000 2.276 625 L HA 0.487 4.828 4.340 0.001 0.000 0.286 625 L C -1.258 175.698 176.870 0.144 0.000 1.024 625 L CA -0.347 54.678 54.840 0.308 0.000 0.826 625 L CB 0.832 43.016 42.059 0.208 0.000 1.211 625 L HN 0.577 nan 8.230 nan 0.000 0.422 626 M N 4.376 124.074 119.600 0.165 0.000 2.238 626 M HA 0.593 5.073 4.480 0.001 0.000 0.350 626 M C 0.345 176.707 176.300 0.103 0.000 1.138 626 M CA -0.413 54.938 55.300 0.086 0.000 1.040 626 M CB 1.155 33.826 32.600 0.118 0.000 1.639 626 M HN 0.618 nan 8.290 nan 0.000 0.451 627 G N 1.735 110.578 108.800 0.072 0.000 2.721 627 G HA2 0.746 4.706 3.960 0.001 0.000 0.296 627 G HA3 0.746 4.706 3.960 0.001 0.000 0.296 627 G C -1.522 173.472 174.900 0.157 0.000 1.383 627 G CA -0.659 44.515 45.100 0.123 0.000 0.788 627 G HN 0.949 nan 8.290 nan 0.000 0.500 628 C N -1.915 117.521 119.300 0.226 0.000 2.779 628 C HA 0.850 5.311 4.460 0.001 0.000 0.314 628 C C -0.434 174.831 174.990 0.458 0.000 1.231 628 C CA -1.411 57.788 59.018 0.302 0.000 1.652 628 C CB 0.872 28.733 27.740 0.202 0.000 2.198 628 C HN 0.851 nan 8.230 nan 0.000 0.483 629 Y N 1.369 121.916 120.300 0.412 0.000 2.304 629 Y HA 0.499 5.050 4.550 0.001 0.000 0.327 629 Y C -0.124 175.835 175.900 0.097 0.000 1.209 629 Y CA 0.506 58.763 58.100 0.261 0.000 1.299 629 Y CB 0.678 39.303 38.460 0.275 0.000 1.249 629 Y HN 0.936 nan 8.280 nan 0.000 0.519 630 D N 6.486 126.388 120.400 -0.830 0.000 2.593 630 D HA 0.398 5.039 4.640 0.001 0.000 0.251 630 D C -2.472 173.267 176.300 -0.935 0.000 1.140 630 D CA -2.451 51.150 54.000 -0.665 0.000 0.855 630 D CB 2.183 42.805 40.800 -0.297 0.000 1.267 630 D HN 0.280 nan 8.370 nan 0.000 0.532 631 P HA 0.143 nan 4.420 nan 0.000 0.245 631 P C 1.048 178.229 177.300 -0.197 0.000 1.212 631 P CA 0.143 63.038 63.100 -0.341 0.000 0.774 631 P CB 0.492 32.120 31.700 -0.120 0.000 0.999 632 G N 1.286 109.968 108.800 -0.198 0.000 2.733 632 G HA2 -0.206 3.755 3.960 0.001 0.000 0.213 632 G HA3 -0.206 3.755 3.960 0.001 0.000 0.213 632 G C 1.593 176.427 174.900 -0.109 0.000 1.351 632 G CA 1.279 46.306 45.100 -0.121 0.000 0.853 632 G HN 0.359 nan 8.290 nan 0.000 0.590 633 S N -0.161 115.472 115.700 -0.112 0.000 2.595 633 S HA -0.031 4.439 4.470 0.001 0.000 0.235 633 S C 1.191 175.729 174.600 -0.104 0.000 0.974 633 S CA 1.414 59.562 58.200 -0.086 0.000 0.942 633 S CB -0.346 62.813 63.200 -0.068 0.000 0.766 633 S HN 0.535 nan 8.310 nan 0.000 0.536 634 Q N -0.603 119.096 119.800 -0.168 0.000 2.437 634 Q HA -0.223 4.118 4.340 0.001 0.000 0.274 634 Q C 0.266 176.165 176.000 -0.169 0.000 1.165 634 Q CA 1.262 56.955 55.803 -0.183 0.000 0.925 634 Q CB -2.518 26.195 28.738 -0.041 0.000 1.327 634 Q HN 0.929 nan 8.270 nan 0.000 0.505 635 K N -0.131 120.146 120.400 -0.204 0.000 2.258 635 K HA 0.573 4.893 4.320 0.001 0.000 0.236 635 K C -0.624 175.873 176.600 -0.171 0.000 1.008 635 K CA -0.359 55.830 56.287 -0.164 0.000 0.869 635 K CB 0.549 33.024 32.500 -0.042 0.000 1.171 635 K HN 0.246 nan 8.250 nan 0.000 0.447 636 W N -0.552 120.789 121.300 0.067 0.000 2.161 636 W HA 0.520 5.181 4.660 0.001 0.000 0.344 636 W C 0.473 177.010 176.519 0.029 0.000 1.262 636 W CA -0.306 57.084 57.345 0.075 0.000 1.270 636 W CB 1.022 30.509 29.460 0.045 0.000 1.126 636 W HN 0.588 nan 8.180 nan 0.000 0.598 637 C N 1.844 121.338 119.300 0.323 0.000 2.783 637 C HA 0.570 5.031 4.460 0.001 0.000 0.312 637 C C -0.092 175.007 174.990 0.182 0.000 1.182 637 C CA -0.384 58.743 59.018 0.181 0.000 1.432 637 C CB 1.253 29.059 27.740 0.111 0.000 1.933 637 C HN 0.577 nan 8.230 nan 0.000 0.473 638 T N 2.824 117.478 114.554 0.166 0.000 2.829 638 T HA 0.570 4.921 4.350 0.001 0.000 0.282 638 T C 0.519 175.422 174.700 0.337 0.000 0.990 638 T CA -0.230 62.013 62.100 0.237 0.000 1.028 638 T CB 1.052 70.034 68.868 0.190 0.000 0.951 638 T HN 0.592 nan 8.240 nan 0.000 0.460 639 V N 2.975 123.064 119.914 0.292 0.000 3.058 639 V HA 0.418 4.539 4.120 0.001 0.000 0.233 639 V C 0.938 176.721 176.094 -0.518 0.000 1.255 639 V CA -0.007 62.306 62.300 0.022 0.000 1.267 639 V CB 0.573 32.408 31.823 0.020 0.000 1.049 639 V HN 0.849 nan 8.190 nan 0.000 0.486 640 T N -0.001 114.393 114.554 -0.268 0.000 2.886 640 T HA 0.371 4.721 4.350 0.001 0.000 0.330 640 T C -1.484 173.280 174.700 0.107 0.000 1.488 640 T CA -0.661 61.264 62.100 -0.293 0.000 1.054 640 T CB 1.836 70.601 68.868 -0.171 0.000 1.348 640 T HN 0.254 nan 8.240 nan 0.000 0.489 641 K N 0.855 121.355 120.400 0.167 0.000 2.102 641 K HA 0.727 5.048 4.320 0.001 0.000 0.244 641 K C -0.667 176.046 176.600 0.187 0.000 1.021 641 K CA -0.693 55.711 56.287 0.194 0.000 0.913 641 K CB 1.090 33.627 32.500 0.060 0.000 1.062 641 K HN 0.516 nan 8.250 nan 0.000 0.485 642 C N 0.053 119.517 119.300 0.274 0.000 3.006 642 C HA 0.629 5.089 4.460 0.001 0.000 0.359 642 C C 0.087 175.338 174.990 0.436 0.000 1.103 642 C CA -0.156 59.055 59.018 0.321 0.000 1.286 642 C CB 0.830 28.791 27.740 0.370 0.000 1.694 642 C HN 0.919 nan 8.230 nan 0.000 0.511 643 A N 3.567 126.575 122.820 0.314 0.000 1.921 643 A HA 0.667 4.987 4.320 0.001 0.000 0.202 643 A C 1.140 178.879 177.584 0.259 0.000 1.721 643 A CA 0.885 53.111 52.037 0.316 0.000 1.025 643 A CB -1.033 18.068 19.000 0.167 0.000 1.060 643 A HN 1.598 nan 8.150 nan 0.000 0.535 644 G N -1.808 107.074 108.800 0.136 0.000 2.732 644 G HA2 0.436 4.396 3.960 0.001 0.000 0.244 644 G HA3 0.436 4.396 3.960 0.001 0.000 0.244 644 G C 1.154 175.988 174.900 -0.110 0.000 1.226 644 G CA 0.542 45.666 45.100 0.040 0.000 0.860 644 G HN 1.767 nan 8.290 nan 0.000 0.583 645 G N -0.834 107.855 108.800 -0.186 0.000 2.493 645 G HA2 -0.206 3.754 3.960 0.001 0.000 0.206 645 G HA3 -0.206 3.754 3.960 0.001 0.000 0.206 645 G C 0.380 175.023 174.900 -0.428 0.000 1.109 645 G CA 0.298 45.159 45.100 -0.398 0.000 0.689 645 G HN 0.965 nan 8.290 nan 0.000 0.516 646 H N 2.807 121.839 119.070 -0.064 0.000 2.502 646 H HA 0.501 5.057 4.556 0.001 0.000 0.327 646 H C 0.272 175.585 175.328 -0.024 0.000 1.099 646 H CA 0.166 56.163 56.048 -0.085 0.000 1.323 646 H CB 1.257 30.950 29.762 -0.115 0.000 1.450 646 H HN 0.740 nan 8.280 nan 0.000 0.502 647 D N 1.017 121.464 120.400 0.078 0.000 2.398 647 D HA -0.041 4.599 4.640 0.001 0.000 0.247 647 D C 0.639 176.979 176.300 0.068 0.000 1.227 647 D CA -0.461 53.570 54.000 0.052 0.000 0.980 647 D CB 1.019 41.832 40.800 0.023 0.000 1.106 647 D HN 0.305 nan 8.370 nan 0.000 0.493 648 D N -0.444 119.987 120.400 0.052 0.000 2.097 648 D HA -0.166 4.475 4.640 0.001 0.000 0.195 648 D C 2.093 178.421 176.300 0.046 0.000 0.989 648 D CA 1.656 55.688 54.000 0.054 0.000 0.827 648 D CB -0.358 40.467 40.800 0.042 0.000 0.966 648 D HN 0.548 nan 8.370 nan 0.000 0.456 649 A N 0.173 123.012 122.820 0.032 0.000 1.940 649 A HA -0.174 4.146 4.320 0.001 0.000 0.219 649 A C 2.309 179.906 177.584 0.020 0.000 1.176 649 A CA 2.279 54.331 52.037 0.023 0.000 0.631 649 A CB -0.841 18.168 19.000 0.015 0.000 0.814 649 A HN 0.284 nan 8.150 nan 0.000 0.446 650 T N -1.280 113.285 114.554 0.018 0.000 2.985 650 T HA 0.021 4.372 4.350 0.001 0.000 0.266 650 T C 1.731 176.428 174.700 -0.006 0.000 1.076 650 T CA 1.024 63.122 62.100 -0.004 0.000 1.135 650 T CB -0.318 68.540 68.868 -0.017 0.000 0.890 650 T HN 0.247 nan 8.240 nan 0.000 0.480 651 L N 0.823 122.070 121.223 0.040 0.000 2.109 651 L HA 0.198 4.539 4.340 0.001 0.000 0.207 651 L C 2.707 179.627 176.870 0.083 0.000 1.086 651 L CA 1.930 56.818 54.840 0.081 0.000 0.760 651 L CB -1.381 40.755 42.059 0.129 0.000 0.910 651 L HN 0.385 nan 8.230 nan 0.000 0.437 652 A N -0.570 122.286 122.820 0.061 0.000 2.014 652 A HA -0.182 4.139 4.320 0.001 0.000 0.218 652 A C 2.398 180.009 177.584 0.046 0.000 1.163 652 A CA 1.006 53.077 52.037 0.056 0.000 0.652 652 A CB -0.453 18.575 19.000 0.046 0.000 0.808 652 A HN 0.391 nan 8.150 nan 0.000 0.449 653 R N -0.387 120.134 120.500 0.034 0.000 2.119 653 R HA 0.113 4.453 4.340 0.001 0.000 0.222 653 R C 1.628 177.949 176.300 0.034 0.000 1.088 653 R CA 0.684 56.800 56.100 0.026 0.000 0.984 653 R CB -0.260 30.047 30.300 0.012 0.000 0.884 653 R HN 0.500 nan 8.270 nan 0.000 0.447 654 L N 1.011 122.259 121.223 0.040 0.000 2.353 654 L HA -0.158 4.182 4.340 0.001 0.000 0.220 654 L C 2.039 178.973 176.870 0.107 0.000 1.133 654 L CA 0.739 55.622 54.840 0.071 0.000 0.798 654 L CB -0.261 41.843 42.059 0.076 0.000 0.922 654 L HN 0.260 nan 8.230 nan 0.000 0.445 655 Q N -0.113 119.741 119.800 0.090 0.000 2.234 655 Q HA -0.146 4.195 4.340 0.001 0.000 0.206 655 Q C 1.595 177.629 176.000 0.056 0.000 0.980 655 Q CA 1.154 57.004 55.803 0.079 0.000 0.869 655 Q CB -0.253 28.524 28.738 0.065 0.000 0.912 655 Q HN 0.660 nan 8.270 nan 0.000 0.436 656 N N 0.302 119.031 118.700 0.048 0.000 2.420 656 N HA -0.040 4.700 4.740 0.001 0.000 0.185 656 N C 1.075 176.603 175.510 0.030 0.000 1.033 656 N CA 0.303 53.373 53.050 0.033 0.000 0.879 656 N CB -0.139 38.364 38.487 0.028 0.000 1.071 656 N HN 0.293 nan 8.380 nan 0.000 0.437 657 E N 0.704 120.925 120.200 0.036 0.000 2.520 657 E HA 0.053 4.404 4.350 0.001 0.000 0.201 657 E C -0.273 176.343 176.600 0.025 0.000 1.122 657 E CA 0.267 56.686 56.400 0.032 0.000 0.896 657 E CB -0.039 29.685 29.700 0.040 0.000 0.891 657 E HN 0.262 nan 8.360 nan 0.000 0.533 658 L N 1.018 122.255 121.223 0.025 0.000 2.381 658 L HA 0.279 4.619 4.340 0.001 0.000 0.274 658 L C -0.237 176.619 176.870 -0.023 0.000 0.988 658 L CA -1.099 53.744 54.840 0.004 0.000 0.824 658 L CB 1.816 43.905 42.059 0.049 0.000 1.263 658 L HN -0.161 nan 8.230 nan 0.000 0.410 659 D N 2.475 122.841 120.400 -0.058 0.000 2.378 659 D HA 0.151 4.792 4.640 0.001 0.000 0.238 659 D C 0.097 176.349 176.300 -0.080 0.000 1.180 659 D CA 0.282 54.240 54.000 -0.071 0.000 0.895 659 D CB 0.758 41.501 40.800 -0.095 0.000 1.192 659 D HN 0.193 nan 8.370 nan 0.000 0.438 660 M N 1.710 121.265 119.600 -0.074 0.000 3.145 660 M HA 0.142 4.623 4.480 0.001 0.000 0.254 660 M C -0.943 175.305 176.300 -0.087 0.000 1.264 660 M CA -0.639 54.616 55.300 -0.074 0.000 1.293 660 M CB 0.219 32.790 32.600 -0.048 0.000 1.170 660 M HN -0.005 nan 8.290 nan 0.000 0.572 661 V N 2.657 122.501 119.914 -0.117 0.000 2.302 661 V HA 0.116 4.237 4.120 0.001 0.000 0.244 661 V C 1.547 177.562 176.094 -0.131 0.000 1.160 661 V CA 0.353 62.577 62.300 -0.127 0.000 1.127 661 V CB -0.620 31.105 31.823 -0.163 0.000 1.253 661 V HN 0.783 nan 8.190 nan 0.000 0.496 662 K N 4.168 124.514 120.400 -0.090 0.000 2.211 662 K HA 0.242 4.563 4.320 0.001 0.000 0.201 662 K C 0.993 177.560 176.600 -0.055 0.000 1.052 662 K CA 0.304 56.549 56.287 -0.069 0.000 0.973 662 K CB -0.012 32.469 32.500 -0.033 0.000 0.766 662 K HN 0.660 nan 8.250 nan 0.000 0.466 663 I N 3.133 123.672 120.570 -0.052 0.000 2.978 663 I HA -0.127 4.043 4.170 0.001 0.000 0.293 663 I C 0.590 176.679 176.117 -0.048 0.000 1.218 663 I CA 0.751 62.028 61.300 -0.038 0.000 1.393 663 I CB 0.698 38.677 38.000 -0.034 0.000 1.394 663 I HN 0.468 nan 8.210 nan 0.000 0.541 664 S N 4.474 120.160 115.700 -0.024 0.000 2.559 664 S HA 0.265 4.736 4.470 0.001 0.000 0.226 664 S C 0.537 175.138 174.600 0.000 0.000 1.000 664 S CA -0.172 58.017 58.200 -0.018 0.000 0.948 664 S CB 0.222 63.427 63.200 0.008 0.000 0.870 664 S HN 0.675 nan 8.310 nan 0.000 0.497 693 A N -0.901 121.799 122.820 -0.201 0.000 2.401 693 A HA 0.835 5.155 4.320 0.001 0.000 0.310 693 A C -1.159 176.269 177.584 -0.261 0.000 1.075 693 A CA -0.177 51.752 52.037 -0.180 0.000 0.746 693 A CB 1.629 20.503 19.000 -0.211 0.000 1.277 693 A HN 2.227 nan 8.150 nan 0.000 0.425 694 V N 2.776 122.608 119.914 -0.136 0.000 2.569 694 V HA 0.760 4.880 4.120 0.001 0.000 0.301 694 V C -2.037 174.182 176.094 0.209 0.000 1.044 694 V CA -0.468 61.816 62.300 -0.027 0.000 0.874 694 V CB 1.223 33.102 31.823 0.092 0.000 1.002 694 V HN 0.829 nan 8.190 nan 0.000 0.424 695 W N 3.289 124.600 121.300 0.019 0.000 2.761 695 W HA 0.521 5.181 4.660 0.001 0.000 0.340 695 W C 0.029 176.570 176.519 0.037 0.000 1.072 695 W CA -1.152 56.206 57.345 0.022 0.000 1.215 695 W CB 1.592 31.060 29.460 0.013 0.000 1.420 695 W HN 0.681 nan 8.180 nan 0.000 0.519 696 E N 2.924 123.277 120.200 0.254 0.000 2.180 696 E HA 0.309 4.659 4.350 0.001 0.000 0.283 696 E C -0.582 176.101 176.600 0.138 0.000 1.061 696 E CA -0.242 56.250 56.400 0.153 0.000 0.861 696 E CB 0.366 30.121 29.700 0.092 0.000 1.056 696 E HN 0.390 nan 8.360 nan 0.000 0.407 697 I N 1.445 122.097 120.570 0.136 0.000 2.750 697 I HA 0.596 4.767 4.170 0.001 0.000 0.308 697 I C -0.744 175.419 176.117 0.076 0.000 1.016 697 I CA -0.350 61.018 61.300 0.114 0.000 1.098 697 I CB 2.427 40.517 38.000 0.150 0.000 1.279 697 I HN 0.199 nan 8.210 nan 0.000 0.454 698 T N 2.975 117.567 114.554 0.063 0.000 3.071 698 T HA 0.778 5.128 4.350 0.001 0.000 0.311 698 T C -0.381 174.351 174.700 0.054 0.000 1.042 698 T CA -0.532 61.598 62.100 0.049 0.000 1.028 698 T CB 1.391 70.284 68.868 0.042 0.000 1.068 698 T HN 1.184 nan 8.240 nan 0.000 0.451 699 G N 0.227 109.048 108.800 0.035 0.000 2.725 699 G HA2 0.678 4.639 3.960 0.001 0.000 0.288 699 G HA3 0.678 4.639 3.960 0.001 0.000 0.288 699 G C 0.788 175.680 174.900 -0.013 0.000 1.399 699 G CA -0.135 44.981 45.100 0.027 0.000 0.859 699 G HN 0.753 nan 8.290 nan 0.000 0.479 700 A N -0.659 122.135 122.820 -0.044 0.000 1.883 700 A HA 0.217 4.538 4.320 0.001 0.000 0.217 700 A C 1.061 178.572 177.584 -0.120 0.000 1.186 700 A CA 2.112 54.095 52.037 -0.090 0.000 0.624 700 A CB -0.329 18.580 19.000 -0.153 0.000 0.822 700 A HN 0.674 nan 8.150 nan 0.000 0.444 701 E N -4.946 115.165 120.200 -0.147 0.000 2.350 701 E HA 0.598 4.948 4.350 0.001 0.000 0.243 701 E C -1.109 175.455 176.600 -0.059 0.000 0.959 701 E CA -0.212 56.128 56.400 -0.100 0.000 0.883 701 E CB 1.235 30.868 29.700 -0.111 0.000 1.820 701 E HN 0.322 nan 8.360 nan 0.000 0.441 702 F N 1.163 121.110 119.950 -0.005 0.000 2.493 702 F HA 0.657 5.184 4.527 0.001 0.000 0.329 702 F C 0.134 176.031 175.800 0.161 0.000 1.126 702 F CA -0.796 57.256 58.000 0.087 0.000 0.937 702 F CB 1.340 40.452 39.000 0.187 0.000 1.146 702 F HN 0.405 nan 8.300 nan 0.000 0.442 703 S N 1.481 117.252 115.700 0.119 0.000 2.681 703 S HA 0.909 5.380 4.470 0.001 0.000 0.299 703 S C -0.373 174.302 174.600 0.126 0.000 1.113 703 S CA -0.098 58.188 58.200 0.144 0.000 1.013 703 S CB 1.551 64.790 63.200 0.065 0.000 1.076 703 S HN 1.788 nan 8.310 nan 0.000 0.534 704 K N -0.035 120.438 120.400 0.122 0.000 2.316 704 K HA 0.878 5.198 4.320 0.001 0.000 0.251 704 K C -0.219 176.405 176.600 0.040 0.000 0.934 704 K CA -0.353 55.936 56.287 0.004 0.000 0.802 704 K CB 1.380 33.857 32.500 -0.038 0.000 1.171 704 K HN 1.789 nan 8.250 nan 0.000 0.426 705 S N -1.843 113.871 115.700 0.024 0.000 2.627 705 S HA 0.551 5.022 4.470 0.001 0.000 0.268 705 S C 0.115 174.737 174.600 0.036 0.000 1.130 705 S CA 0.278 58.502 58.200 0.041 0.000 0.819 705 S CB 0.678 63.916 63.200 0.064 0.000 1.100 705 S HN 1.517 nan 8.310 nan 0.000 0.465 706 E N -0.616 119.602 120.200 0.031 0.000 2.594 706 E HA 0.655 5.006 4.350 0.001 0.000 0.300 706 E C 0.757 177.375 176.600 0.030 0.000 1.568 706 E CA 0.051 56.464 56.400 0.022 0.000 1.811 706 E CB -0.765 28.941 29.700 0.011 0.000 1.458 706 E HN 1.432 nan 8.360 nan 0.000 0.470 707 A N -0.567 122.285 122.820 0.053 0.000 2.010 707 A HA 0.309 4.629 4.320 0.001 0.000 0.193 707 A C 0.516 178.100 177.584 -0.001 0.000 1.659 707 A CA -0.059 52.001 52.037 0.039 0.000 1.175 707 A CB 0.351 19.392 19.000 0.068 0.000 1.301 707 A HN 0.490 nan 8.150 nan 0.000 0.448 708 H N 1.036 120.121 119.070 0.024 0.000 2.552 708 H HA 0.334 4.891 4.556 0.001 0.000 0.311 708 H C 1.733 177.072 175.328 0.019 0.000 1.071 708 H CA 0.768 56.835 56.048 0.030 0.000 1.307 708 H CB 1.539 31.322 29.762 0.036 0.000 1.416 708 H HN 0.360 nan 8.280 nan 0.000 0.464 709 T N 0.719 115.317 114.554 0.075 0.000 2.755 709 T HA -0.302 4.049 4.350 0.001 0.000 0.266 709 T C 1.355 176.085 174.700 0.050 0.000 1.041 709 T CA 0.995 63.124 62.100 0.049 0.000 1.147 709 T CB -0.403 68.492 68.868 0.044 0.000 0.847 709 T HN 0.598 nan 8.240 nan 0.000 0.478 710 A N 1.773 124.638 122.820 0.076 0.000 2.639 710 A HA 0.460 4.780 4.320 0.001 0.000 0.295 710 A C 1.419 179.001 177.584 -0.003 0.000 1.443 710 A CA 1.219 53.279 52.037 0.039 0.000 1.117 710 A CB -1.812 17.221 19.000 0.055 0.000 1.098 710 A HN 1.118 nan 8.150 nan 0.000 0.552 711 D N 0.854 121.242 120.400 -0.020 0.000 3.645 711 D HA -0.153 4.487 4.640 0.001 0.000 0.186 711 D C 2.028 178.296 176.300 -0.055 0.000 1.771 711 D CA 2.869 56.840 54.000 -0.047 0.000 1.328 711 D CB -1.400 39.354 40.800 -0.076 0.000 0.997 711 D HN 2.495 nan 8.370 nan 0.000 0.750 712 G N -1.045 107.725 108.800 -0.050 0.000 2.665 712 G HA2 0.397 4.358 3.960 0.001 0.000 0.220 712 G HA3 0.397 4.358 3.960 0.001 0.000 0.220 712 G C 0.151 175.010 174.900 -0.068 0.000 1.002 712 G CA 0.452 45.530 45.100 -0.038 0.000 0.893 712 G HN 1.823 nan 8.290 nan 0.000 0.586 713 I N -2.036 118.486 120.570 -0.080 0.000 2.648 713 I HA 0.949 5.119 4.170 0.001 0.000 0.304 713 I C -0.139 175.947 176.117 -0.052 0.000 1.009 713 I CA -1.108 60.124 61.300 -0.113 0.000 1.114 713 I CB 2.117 39.992 38.000 -0.208 0.000 1.293 713 I HN 0.054 nan 8.210 nan 0.000 0.449 714 S N 2.984 118.655 115.700 -0.049 0.000 2.661 714 S HA 0.713 5.184 4.470 0.001 0.000 0.268 714 S C -1.510 173.059 174.600 -0.052 0.000 1.162 714 S CA -0.495 57.641 58.200 -0.107 0.000 0.817 714 S CB 1.710 64.835 63.200 -0.127 0.000 1.141 714 S HN 0.543 nan 8.310 nan 0.000 0.477 715 I N 2.064 122.588 120.570 -0.077 0.000 2.418 715 I HA 0.514 4.684 4.170 0.001 0.000 0.287 715 I C 0.058 176.117 176.117 -0.097 0.000 1.008 715 I CA -0.299 60.967 61.300 -0.056 0.000 1.104 715 I CB 1.657 39.643 38.000 -0.023 0.000 1.264 715 I HN 0.535 nan 8.210 nan 0.000 0.438 716 R N 5.962 126.347 120.500 -0.191 0.000 2.489 716 R HA 0.286 4.627 4.340 0.001 0.000 0.287 716 R C -0.437 175.592 176.300 -0.452 0.000 1.053 716 R CA 0.106 55.930 56.100 -0.460 0.000 1.036 716 R CB -0.027 29.873 30.300 -0.667 0.000 0.966 716 R HN 0.526 nan 8.270 nan 0.000 0.432 717 F N 3.252 123.209 119.950 0.013 0.000 2.694 717 F HA -0.194 4.334 4.527 0.001 0.000 0.215 717 F C -1.674 174.141 175.800 0.025 0.000 1.032 717 F CA -0.684 57.327 58.000 0.017 0.000 0.871 717 F CB -1.351 37.656 39.000 0.010 0.000 0.776 717 F HN 0.450 nan 8.300 nan 0.000 0.850 718 P HA 0.065 nan 4.420 nan 0.000 0.263 718 P C -0.189 177.183 177.300 0.120 0.000 1.195 718 P CA 0.380 63.544 63.100 0.107 0.000 0.762 718 P CB 0.922 32.675 31.700 0.089 0.000 0.799 719 R N 2.570 123.127 120.500 0.095 0.000 2.854 719 R HA 0.687 5.028 4.340 0.001 0.000 0.271 719 R C -1.323 174.991 176.300 0.024 0.000 0.994 719 R CA -0.921 55.211 56.100 0.054 0.000 0.945 719 R CB 0.961 31.287 30.300 0.043 0.000 1.194 719 R HN 0.425 nan 8.270 nan 0.000 0.476 720 C N 2.210 121.471 119.300 -0.066 0.000 2.329 720 C HA 0.530 4.990 4.460 0.001 0.000 0.329 720 C C 1.420 176.305 174.990 -0.175 0.000 1.275 720 C CA 0.286 59.235 59.018 -0.115 0.000 1.726 720 C CB 0.894 28.485 27.740 -0.249 0.000 2.291 720 C HN 1.016 nan 8.230 nan 0.000 0.514 721 T N 2.627 117.127 114.554 -0.090 0.000 3.480 721 T HA 0.396 4.747 4.350 0.001 0.000 0.229 721 T C 0.984 175.636 174.700 -0.079 0.000 0.944 721 T CA 0.592 62.645 62.100 -0.077 0.000 1.388 721 T CB -0.498 68.356 68.868 -0.025 0.000 1.180 721 T HN 0.964 nan 8.240 nan 0.000 0.414 722 R N 1.631 122.109 120.500 -0.036 0.000 2.410 722 R HA 0.719 5.059 4.340 0.001 0.000 0.288 722 R C 0.367 176.643 176.300 -0.040 0.000 1.051 722 R CA -0.498 55.585 56.100 -0.028 0.000 1.021 722 R CB -0.858 29.445 30.300 0.006 0.000 1.032 722 R HN 0.852 nan 8.270 nan 0.000 0.481 723 I N -0.410 120.121 120.570 -0.066 0.000 2.276 723 I HA 0.386 4.556 4.170 0.001 0.000 0.290 723 I C 0.078 176.215 176.117 0.032 0.000 1.109 723 I CA -0.646 60.606 61.300 -0.080 0.000 1.229 723 I CB 1.080 38.972 38.000 -0.180 0.000 1.452 723 I HN 0.475 nan 8.210 nan 0.000 0.497 724 R N 4.342 124.905 120.500 0.105 0.000 2.291 724 R HA 0.139 4.479 4.340 0.001 0.000 0.333 724 R C -0.586 175.778 176.300 0.107 0.000 1.082 724 R CA -0.099 56.060 56.100 0.099 0.000 0.948 724 R CB 0.393 30.757 30.300 0.107 0.000 1.009 724 R HN 0.636 nan 8.270 nan 0.000 0.460 725 D N 1.546 121.990 120.400 0.073 0.000 2.434 725 D HA -0.029 4.611 4.640 0.001 0.000 0.232 725 D C 0.294 176.629 176.300 0.058 0.000 1.166 725 D CA 0.360 54.401 54.000 0.068 0.000 0.830 725 D CB 0.464 41.293 40.800 0.048 0.000 0.960 725 D HN 0.551 nan 8.370 nan 0.000 0.497 726 D N -1.187 119.250 120.400 0.062 0.000 2.766 726 D HA 0.056 4.696 4.640 0.001 0.000 0.284 726 D C 1.234 177.565 176.300 0.051 0.000 1.050 726 D CA 0.234 54.264 54.000 0.048 0.000 0.945 726 D CB -0.495 40.329 40.800 0.041 0.000 1.272 726 D HN 0.037 nan 8.370 nan 0.000 0.482 727 K N 1.096 121.534 120.400 0.065 0.000 3.129 727 K HA 0.250 4.571 4.320 0.001 0.000 0.224 727 K C -0.139 176.516 176.600 0.092 0.000 1.249 727 K CA -0.459 55.865 56.287 0.062 0.000 1.177 727 K CB -1.095 31.443 32.500 0.062 0.000 1.393 727 K HN 0.034 nan 8.250 nan 0.000 0.459 728 D N 1.985 122.445 120.400 0.101 0.000 2.449 728 D HA 0.093 4.734 4.640 0.001 0.000 0.278 728 D C 0.627 177.090 176.300 0.273 0.000 1.417 728 D CA 0.740 54.833 54.000 0.155 0.000 1.192 728 D CB -0.997 39.884 40.800 0.135 0.000 1.129 728 D HN 0.620 nan 8.370 nan 0.000 0.539 729 W N 2.632 123.953 121.300 0.036 0.000 3.078 729 W HA -0.364 4.297 4.660 0.000 0.000 0.309 729 W C 1.536 178.092 176.519 0.061 0.000 0.391 729 W CA 2.306 59.693 57.345 0.070 0.000 0.459 729 W CB -1.039 28.474 29.460 0.089 0.000 2.855 729 W HN 0.598 nan 8.180 nan 0.000 0.416 730 K N -2.326 117.663 120.400 -0.685 0.000 5.191 730 K HA -0.397 3.924 4.320 0.001 0.000 0.418 730 K C 2.149 178.620 176.600 -0.216 0.000 0.479 730 K CA 3.887 59.760 56.287 -0.691 0.000 1.786 730 K CB -2.278 29.726 32.500 -0.827 0.000 1.038 730 K HN 1.806 nan 8.250 nan 0.000 0.609 731 S N -0.138 115.505 115.700 -0.096 0.000 2.492 731 S HA 0.584 5.055 4.470 0.001 0.000 0.218 731 S C 1.303 175.930 174.600 0.044 0.000 1.016 731 S CA 1.075 59.262 58.200 -0.021 0.000 0.916 731 S CB -0.341 62.851 63.200 -0.013 0.000 0.791 731 S HN 1.523 nan 8.310 nan 0.000 0.513 732 A N 1.247 124.123 122.820 0.094 0.000 2.407 732 A HA 0.407 4.728 4.320 0.001 0.000 0.257 732 A C 0.508 178.180 177.584 0.146 0.000 1.131 732 A CA 0.114 52.234 52.037 0.139 0.000 0.803 732 A CB -0.381 18.739 19.000 0.200 0.000 1.083 732 A HN 0.403 nan 8.150 nan 0.000 0.512 733 T N 1.828 116.473 114.554 0.151 0.000 2.910 733 T HA 0.421 4.772 4.350 0.001 0.000 0.293 733 T C 0.183 174.988 174.700 0.176 0.000 1.015 733 T CA -0.336 61.846 62.100 0.136 0.000 1.094 733 T CB 0.291 69.226 68.868 0.111 0.000 0.968 733 T HN 0.799 nan 8.240 nan 0.000 0.521 734 N N 2.423 121.205 118.700 0.138 0.000 2.453 734 N HA 0.278 5.018 4.740 0.001 0.000 0.290 734 N C 0.967 176.513 175.510 0.060 0.000 1.250 734 N CA -1.002 52.122 53.050 0.123 0.000 0.815 734 N CB 1.382 39.940 38.487 0.117 0.000 1.381 734 N HN 0.496 nan 8.380 nan 0.000 0.510 735 L N 0.160 121.392 121.223 0.015 0.000 1.963 735 L HA -0.131 4.210 4.340 0.001 0.000 0.220 735 L C -0.674 176.199 176.870 0.005 0.000 1.076 735 L CA 2.275 57.115 54.840 0.001 0.000 0.772 735 L CB -1.184 40.853 42.059 -0.037 0.000 0.892 735 L HN 0.525 nan 8.230 nan 0.000 0.435 736 P HA -0.181 nan 4.420 nan 0.000 0.218 736 P C 1.391 178.705 177.300 0.024 0.000 1.149 736 P CA 1.351 64.454 63.100 0.006 0.000 0.817 736 P CB -0.105 31.594 31.700 -0.002 0.000 0.785 737 Q N -0.707 119.113 119.800 0.032 0.000 2.045 737 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 737 Q C 2.254 178.286 176.000 0.053 0.000 0.991 737 Q CA 1.305 57.134 55.803 0.043 0.000 0.851 737 Q CB -0.697 28.072 28.738 0.051 0.000 0.911 737 Q HN 0.138 nan 8.270 nan 0.000 0.418 738 L N 0.976 122.233 121.223 0.056 0.000 2.056 738 L HA -0.183 4.158 4.340 0.001 0.000 0.207 738 L C 2.219 179.133 176.870 0.074 0.000 1.078 738 L CA 1.754 56.633 54.840 0.066 0.000 0.749 738 L CB -0.356 41.738 42.059 0.058 0.000 0.901 738 L HN 0.007 nan 8.230 nan 0.000 0.433 739 K N -0.300 120.127 120.400 0.046 0.000 2.127 739 K HA -0.252 4.069 4.320 0.001 0.000 0.208 739 K C 2.156 178.817 176.600 0.101 0.000 1.047 739 K CA 1.814 58.127 56.287 0.044 0.000 0.927 739 K CB -0.239 32.270 32.500 0.015 0.000 0.716 739 K HN 0.421 nan 8.250 nan 0.000 0.450 740 E N -0.195 120.053 120.200 0.080 0.000 2.028 740 E HA -0.142 4.209 4.350 0.001 0.000 0.190 740 E C 1.900 178.554 176.600 0.090 0.000 0.984 740 E CA 0.943 57.389 56.400 0.077 0.000 0.800 740 E CB -0.088 29.642 29.700 0.050 0.000 0.758 740 E HN 0.156 nan 8.360 nan 0.000 0.448 741 L N 0.897 122.173 121.223 0.088 0.000 1.991 741 L HA -0.269 4.071 4.340 0.001 0.000 0.221 741 L C 2.487 179.418 176.870 0.101 0.000 1.079 741 L CA 2.044 56.933 54.840 0.082 0.000 0.778 741 L CB -1.589 40.519 42.059 0.082 0.000 0.893 741 L HN 0.313 nan 8.230 nan 0.000 0.437 742 Y N 0.087 120.392 120.300 0.009 0.000 2.030 742 Y HA -0.407 4.143 4.550 0.001 0.000 0.272 742 Y C 2.867 178.770 175.900 0.005 0.000 1.185 742 Y CA 2.526 60.629 58.100 0.006 0.000 1.120 742 Y CB -0.368 38.097 38.460 0.009 0.000 0.955 742 Y HN 0.287 nan 8.280 nan 0.000 0.495 743 Q N -0.194 119.662 119.800 0.093 0.000 2.167 743 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 743 Q C 1.881 177.845 176.000 -0.060 0.000 0.970 743 Q CA 1.404 57.208 55.803 0.002 0.000 0.855 743 Q CB -0.440 28.361 28.738 0.105 0.000 0.911 743 Q HN 0.536 nan 8.270 nan 0.000 0.438 744 L N -0.124 121.080 121.223 -0.032 0.000 2.261 744 L HA -0.090 4.251 4.340 0.001 0.000 0.216 744 L C 0.708 177.536 176.870 -0.069 0.000 1.114 744 L CA 1.319 56.137 54.840 -0.036 0.000 0.777 744 L CB -0.414 41.637 42.059 -0.014 0.000 0.910 744 L HN -0.034 nan 8.230 nan 0.000 0.440 745 S N 0.064 115.691 115.700 -0.123 0.000 3.700 745 S HA 0.429 4.899 4.470 0.001 0.000 0.192 745 S C 0.163 174.658 174.600 -0.174 0.000 1.430 745 S CA -0.391 57.722 58.200 -0.145 0.000 0.999 745 S CB 0.138 63.235 63.200 -0.172 0.000 1.411 745 S HN 0.299 nan 8.310 nan 0.000 0.491 746 K N 0.000 120.331 120.400 -0.115 0.000 2.780 746 K HA 0.000 4.321 4.320 0.001 0.000 0.191 746 K CA 0.000 56.231 56.287 -0.094 0.000 0.838 746 K CB 0.000 32.429 32.500 -0.118 0.000 1.064 746 K HN 0.000 nan 8.250 nan 0.000 0.543