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 1tzn_1_L DATA FIRST_RESID 174 DATA SEQUENCE TVPDRDNDGI PDSLEVEGYT VDVKNKRTFL SPWISNIHEK KGLTKYKSSP DATA SEQUENCE EKWSTASDPY SDFEKVTGRI DKNVSPEARH PLVAAYPIVH VDMENIILSK DATA SEQUENCE NEXXXXXXXD SQTRTISKNT STSRTHTSEV HGNAEVHASF FDIGGSVSAG DATA SEQUENCE FSNSNSSTVA IDHSLSLAGE RTWAETMGLN TADTARLNAN IRYVNTGTAP DATA SEQUENCE IYNVLPTTSL VLGKNQTLAT IKAKENQLSQ ILAPNNYYPS KNLAPIALNA DATA SEQUENCE QXXXSSTPIT MNYNQFLELE KTKQLRLDTD QVYGNIATYN FENGRVRVDT DATA SEQUENCE GSNWSEVLPQ IQETTARIIF NGKDLNLVER RIAAVNPSDP LETTKPDMTL DATA SEQUENCE KEALKIAFGF NEPNGNLQYQ GKDITEFDFN FDQQTSQNIK NQLAELNATN DATA SEQUENCE IYTVLDKIKL NAKMNILIRD KRFHYDRNNI AVGADESVVK EAHREVINSS DATA SEQUENCE TEGLLLNIDK DIRKILSGYI VEIEDTEGLK EVINDRYDML NISSLRQDGK DATA SEQUENCE TFIDFKKYND KLPLYISNPN YKVNVYAVTK ENTIINPSEN GDTSTNGIKK DATA SEQUENCE ILIFSKKGYE IG 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 174 T HA 0.000 nan 4.350 nan 0.000 0.228 174 T C 0.000 174.697 174.700 -0.004 0.000 1.109 174 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 174 T CB 0.000 68.869 68.868 0.001 0.000 0.612 175 V N 3.315 123.224 119.914 -0.009 0.000 2.617 175 V HA 0.259 4.379 4.120 -0.000 0.000 0.304 175 V C -1.802 174.282 176.094 -0.015 0.000 1.040 175 V CA -0.801 61.491 62.300 -0.014 0.000 1.149 175 V CB -0.119 31.690 31.823 -0.023 0.000 0.914 175 V HN 0.339 nan 8.190 nan 0.000 0.487 176 P HA 0.247 nan 4.420 nan 0.000 0.262 176 P C -0.719 176.572 177.300 -0.016 0.000 1.199 176 P CA 0.320 63.415 63.100 -0.008 0.000 0.763 176 P CB 0.212 31.911 31.700 -0.001 0.000 0.790 177 D N 1.705 122.097 120.400 -0.013 0.000 2.362 177 D HA 0.102 4.742 4.640 -0.000 0.000 0.232 177 D C 0.747 177.047 176.300 0.000 0.000 1.329 177 D CA -0.436 53.552 54.000 -0.019 0.000 0.944 177 D CB 0.666 41.439 40.800 -0.045 0.000 1.471 177 D HN 0.011 nan 8.370 nan 0.000 0.533 178 R N 1.380 121.886 120.500 0.010 0.000 2.062 178 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 178 R C 1.348 177.673 176.300 0.041 0.000 1.136 178 R CA 1.873 57.987 56.100 0.022 0.000 0.948 178 R CB -0.333 29.980 30.300 0.022 0.000 0.845 178 R HN 0.456 nan 8.270 nan 0.000 0.430 179 D N 0.143 120.569 120.400 0.045 0.000 2.203 179 D HA -0.285 4.355 4.640 -0.000 0.000 0.199 179 D C 0.641 177.020 176.300 0.131 0.000 0.997 179 D CA 1.554 55.605 54.000 0.084 0.000 0.863 179 D CB -0.418 40.410 40.800 0.046 0.000 0.928 179 D HN 0.315 nan 8.370 nan 0.000 0.458 180 N N -0.603 118.140 118.700 0.071 0.000 2.800 180 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 180 N C -0.011 175.560 175.510 0.101 0.000 1.078 180 N CA 1.368 54.468 53.050 0.084 0.000 0.804 180 N CB -1.649 36.909 38.487 0.119 0.000 1.135 180 N HN 0.600 nan 8.380 nan 0.000 0.565 181 D N -1.871 118.529 120.400 0.001 0.000 2.234 181 D HA 0.198 4.838 4.640 -0.000 0.000 0.205 181 D C 1.647 177.833 176.300 -0.190 0.000 0.962 181 D CA 1.333 55.242 54.000 -0.152 0.000 0.855 181 D CB -0.446 40.148 40.800 -0.343 0.000 0.951 181 D HN 0.648 nan 8.370 nan 0.000 0.500 182 G N -0.416 108.225 108.800 -0.266 0.000 2.183 182 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.168 182 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.168 182 G C -0.106 174.445 174.900 -0.581 0.000 1.008 182 G CA -0.127 44.667 45.100 -0.511 0.000 0.677 182 G HN 0.323 nan 8.290 nan 0.000 0.498 183 I N 1.754 122.093 120.570 -0.386 0.000 2.464 183 I HA 0.264 4.434 4.170 -0.000 0.000 0.277 183 I C -2.380 173.604 176.117 -0.223 0.000 1.040 183 I CA -2.251 58.823 61.300 -0.376 0.000 1.153 183 I CB 2.033 39.752 38.000 -0.468 0.000 1.274 183 I HN -0.194 nan 8.210 nan 0.000 0.469 184 P HA -0.097 nan 4.420 nan 0.000 0.255 184 P C 0.386 177.658 177.300 -0.047 0.000 1.151 184 P CA 0.451 63.498 63.100 -0.088 0.000 0.767 184 P CB 0.358 32.018 31.700 -0.067 0.000 0.736 185 D N 2.688 123.073 120.400 -0.025 0.000 2.984 185 D HA -0.310 4.330 4.640 -0.000 0.000 0.266 185 D C 1.962 178.282 176.300 0.032 0.000 1.083 185 D CA 2.602 56.605 54.000 0.006 0.000 0.985 185 D CB -1.192 39.614 40.800 0.010 0.000 1.137 185 D HN 0.502 nan 8.370 nan 0.000 0.495 186 S N 1.372 117.092 115.700 0.034 0.000 2.422 186 S HA -0.287 4.183 4.470 -0.000 0.000 0.248 186 S C 2.395 177.051 174.600 0.092 0.000 1.069 186 S CA 2.085 60.318 58.200 0.055 0.000 1.214 186 S CB -1.212 62.016 63.200 0.047 0.000 1.122 186 S HN 0.402 nan 8.310 nan 0.000 0.432 187 L N 1.617 122.895 121.223 0.092 0.000 2.030 187 L HA -0.257 4.083 4.340 -0.000 0.000 0.222 187 L C 3.101 180.188 176.870 0.363 0.000 1.082 187 L CA 2.414 57.356 54.840 0.170 0.000 0.785 187 L CB -0.710 41.372 42.059 0.038 0.000 0.895 187 L HN 0.541 nan 8.230 nan 0.000 0.439 188 E N -0.673 119.679 120.200 0.254 0.000 2.338 188 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 188 E C 1.878 178.606 176.600 0.214 0.000 1.007 188 E CA 0.772 57.405 56.400 0.389 0.000 0.849 188 E CB 0.304 30.109 29.700 0.175 0.000 0.774 188 E HN 0.362 nan 8.360 nan 0.000 0.506 189 V N 0.220 120.214 119.914 0.133 0.000 2.581 189 V HA -0.033 4.087 4.120 -0.000 0.000 0.240 189 V C 1.509 177.638 176.094 0.058 0.000 1.054 189 V CA 1.018 63.362 62.300 0.074 0.000 1.076 189 V CB -0.079 31.778 31.823 0.057 0.000 0.748 189 V HN 0.128 nan 8.190 nan 0.000 0.474 190 E N 0.760 121.008 120.200 0.081 0.000 2.502 190 E HA 0.378 4.728 4.350 -0.000 0.000 0.194 190 E C 0.850 177.497 176.600 0.079 0.000 1.062 190 E CA 0.541 56.988 56.400 0.078 0.000 0.867 190 E CB 0.193 29.949 29.700 0.094 0.000 0.888 190 E HN 0.615 nan 8.360 nan 0.000 0.510 191 G N 1.098 109.924 108.800 0.043 0.000 2.784 191 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 191 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 191 G C -0.924 174.014 174.900 0.064 0.000 1.156 191 G CA -0.488 44.560 45.100 -0.088 0.000 0.757 191 G HN 0.183 nan 8.290 nan 0.000 0.642 192 Y N -2.062 118.200 120.300 -0.063 0.000 2.871 192 Y HA 0.905 5.455 4.550 -0.000 0.000 0.331 192 Y C -0.071 175.794 175.900 -0.058 0.000 1.378 192 Y CA -0.326 57.785 58.100 0.017 0.000 1.079 192 Y CB 0.960 39.449 38.460 0.048 0.000 1.441 192 Y HN 1.824 nan 8.280 nan 0.000 0.446 193 T N -0.528 114.278 114.554 0.420 0.000 2.648 193 T HA 0.618 4.968 4.350 -0.000 0.000 0.300 193 T C -2.504 172.375 174.700 0.298 0.000 1.751 193 T CA -0.250 62.032 62.100 0.302 0.000 0.959 193 T CB 0.816 69.632 68.868 -0.087 0.000 1.888 193 T HN 1.137 nan 8.240 nan 0.000 0.480 194 V N 1.901 121.966 119.914 0.252 0.000 2.971 194 V HA 0.768 4.888 4.120 -0.000 0.000 0.309 194 V C -0.768 175.435 176.094 0.182 0.000 1.130 194 V CA -0.634 61.796 62.300 0.215 0.000 0.964 194 V CB 2.058 34.003 31.823 0.204 0.000 1.029 194 V HN 1.086 nan 8.190 nan 0.000 0.427 195 D N 1.158 121.678 120.400 0.200 0.000 2.732 195 D HA 0.744 5.384 4.640 -0.000 0.000 0.292 195 D C -1.327 175.078 176.300 0.174 0.000 1.135 195 D CA -0.263 53.848 54.000 0.185 0.000 1.071 195 D CB 2.532 43.465 40.800 0.222 0.000 1.457 195 D HN 0.574 nan 8.370 nan 0.000 0.547 196 V N 0.168 120.172 119.914 0.150 0.000 2.419 196 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 196 V C 0.788 176.972 176.094 0.150 0.000 1.017 196 V CA -0.816 61.551 62.300 0.111 0.000 0.844 196 V CB 0.956 32.810 31.823 0.053 0.000 1.011 196 V HN 0.663 nan 8.190 nan 0.000 0.429 197 K N 4.007 124.556 120.400 0.249 0.000 1.986 197 K HA -0.057 4.263 4.320 -0.000 0.000 0.216 197 K C 1.583 178.273 176.600 0.150 0.000 1.012 197 K CA 1.560 58.002 56.287 0.259 0.000 1.025 197 K CB -0.095 32.689 32.500 0.474 0.000 0.975 197 K HN 0.782 nan 8.250 nan 0.000 0.453 198 N N 0.492 119.279 118.700 0.145 0.000 2.009 198 N HA -0.125 4.615 4.740 -0.000 0.000 0.195 198 N C 0.793 176.334 175.510 0.051 0.000 1.076 198 N CA 1.459 54.560 53.050 0.085 0.000 0.863 198 N CB -0.073 38.461 38.487 0.077 0.000 1.062 198 N HN 0.258 nan 8.380 nan 0.000 0.425 199 K N 0.134 120.546 120.400 0.021 0.000 2.625 199 K HA 0.256 4.576 4.320 -0.000 0.000 0.190 199 K C -0.522 176.051 176.600 -0.045 0.000 1.174 199 K CA -0.087 56.200 56.287 0.000 0.000 1.103 199 K CB 1.024 33.527 32.500 0.005 0.000 0.900 199 K HN 0.078 nan 8.250 nan 0.000 0.540 200 R N 0.656 121.092 120.500 -0.107 0.000 2.720 200 R HA 0.407 4.747 4.340 -0.000 0.000 0.272 200 R C 0.081 176.194 176.300 -0.313 0.000 0.991 200 R CA -0.473 55.476 56.100 -0.252 0.000 1.010 200 R CB 0.519 30.561 30.300 -0.429 0.000 1.141 200 R HN 0.011 nan 8.270 nan 0.000 0.494 201 T N -1.146 113.222 114.554 -0.308 0.000 2.743 201 T HA 0.569 4.919 4.350 -0.000 0.000 0.292 201 T C -0.624 173.932 174.700 -0.239 0.000 0.972 201 T CA -0.493 61.503 62.100 -0.174 0.000 0.967 201 T CB 0.051 68.888 68.868 -0.052 0.000 0.926 201 T HN 0.179 nan 8.240 nan 0.000 0.459 202 F N 3.210 123.216 119.950 0.093 0.000 2.411 202 F HA 0.487 5.014 4.527 -0.000 0.000 0.352 202 F C -0.071 175.792 175.800 0.105 0.000 1.123 202 F CA -1.819 56.236 58.000 0.092 0.000 1.044 202 F CB 1.713 40.767 39.000 0.090 0.000 1.135 202 F HN 0.485 nan 8.300 nan 0.000 0.461 203 L N 4.151 125.549 121.223 0.291 0.000 2.268 203 L HA 0.496 4.836 4.340 -0.000 0.000 0.289 203 L C -0.111 176.861 176.870 0.170 0.000 1.064 203 L CA 0.335 55.285 54.840 0.184 0.000 0.824 203 L CB 0.166 42.265 42.059 0.065 0.000 1.202 203 L HN 0.514 nan 8.230 nan 0.000 0.433 204 S N 6.675 122.498 115.700 0.205 0.000 2.600 204 S HA 0.802 5.272 4.470 -0.000 0.000 0.300 204 S C -2.745 172.008 174.600 0.254 0.000 1.087 204 S CA -1.507 56.817 58.200 0.207 0.000 0.965 204 S CB 1.655 65.005 63.200 0.249 0.000 1.089 204 S HN 0.563 nan 8.310 nan 0.000 0.496 205 P HA 0.061 nan 4.420 nan 0.000 0.273 205 P C -0.376 177.179 177.300 0.425 0.000 1.250 205 P CA -0.538 62.741 63.100 0.298 0.000 0.793 205 P CB 0.383 32.210 31.700 0.213 0.000 1.011 206 W N 1.624 122.999 121.300 0.125 0.000 2.158 206 W HA 0.210 4.870 4.660 -0.000 0.000 0.339 206 W C -0.692 175.971 176.519 0.241 0.000 1.294 206 W CA -0.293 57.134 57.345 0.137 0.000 1.231 206 W CB 0.533 30.020 29.460 0.046 0.000 1.143 206 W HN 0.121 nan 8.180 nan 0.000 0.571 207 I N 5.451 125.878 120.570 -0.240 0.000 2.649 207 I HA -0.054 4.116 4.170 -0.000 0.000 0.275 207 I C 1.036 176.659 176.117 -0.824 0.000 1.180 207 I CA -0.430 60.616 61.300 -0.424 0.000 1.049 207 I CB 0.698 38.450 38.000 -0.412 0.000 1.234 207 I HN 0.455 nan 8.210 nan 0.000 0.506 208 S N 3.177 118.389 115.700 -0.813 0.000 2.421 208 S HA -0.210 4.260 4.470 -0.000 0.000 0.239 208 S C 1.536 175.907 174.600 -0.382 0.000 1.054 208 S CA 1.657 59.510 58.200 -0.578 0.000 1.035 208 S CB -0.114 62.941 63.200 -0.242 0.000 0.840 208 S HN 0.634 nan 8.310 nan 0.000 0.475 209 N N 1.730 120.231 118.700 -0.331 0.000 2.075 209 N HA 0.040 4.780 4.740 -0.000 0.000 0.192 209 N C 1.943 177.303 175.510 -0.251 0.000 1.081 209 N CA 1.179 54.089 53.050 -0.235 0.000 0.985 209 N CB -0.898 37.470 38.487 -0.198 0.000 1.154 209 N HN 0.450 nan 8.380 nan 0.000 0.484 210 I N -0.293 120.118 120.570 -0.265 0.000 2.227 210 I HA -0.331 3.839 4.170 -0.000 0.000 0.250 210 I C 2.057 178.050 176.117 -0.208 0.000 1.087 210 I CA 1.788 62.944 61.300 -0.240 0.000 1.352 210 I CB -0.615 37.210 38.000 -0.291 0.000 1.043 210 I HN 0.206 nan 8.210 nan 0.000 0.425 211 H N 1.158 120.066 119.070 -0.271 0.000 2.268 211 H HA -0.099 4.457 4.556 -0.000 0.000 0.304 211 H C 2.125 177.351 175.328 -0.171 0.000 1.064 211 H CA 1.959 57.845 56.048 -0.269 0.000 1.316 211 H CB -0.626 28.755 29.762 -0.634 0.000 1.386 211 H HN 0.513 nan 8.280 nan 0.000 0.496 212 E N 1.127 121.223 120.200 -0.173 0.000 2.393 212 E HA -0.185 4.165 4.350 -0.000 0.000 0.201 212 E C 1.539 178.170 176.600 0.050 0.000 1.025 212 E CA 0.977 57.402 56.400 0.043 0.000 0.856 212 E CB 0.167 29.869 29.700 0.003 0.000 0.771 212 E HN 0.402 nan 8.360 nan 0.000 0.526 213 K N 0.093 120.496 120.400 0.006 0.000 2.029 213 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 213 K C 1.925 178.550 176.600 0.042 0.000 1.042 213 K CA 0.852 57.147 56.287 0.013 0.000 0.949 213 K CB -0.009 32.480 32.500 -0.017 0.000 0.740 213 K HN -0.041 nan 8.250 nan 0.000 0.442 214 K N 0.114 120.549 120.400 0.057 0.000 2.520 214 K HA -0.091 4.229 4.320 -0.000 0.000 0.197 214 K C 0.952 177.602 176.600 0.083 0.000 1.043 214 K CA 0.890 57.221 56.287 0.074 0.000 0.944 214 K CB -0.035 32.525 32.500 0.099 0.000 0.770 214 K HN 0.526 nan 8.250 nan 0.000 0.480 215 G N 0.729 109.585 108.800 0.093 0.000 2.176 215 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 215 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 215 G C 0.315 175.270 174.900 0.093 0.000 0.986 215 G CA -0.134 45.017 45.100 0.086 0.000 0.643 215 G HN 0.122 nan 8.290 nan 0.000 0.522 216 L N 0.194 121.495 121.223 0.130 0.000 2.348 216 L HA 0.506 4.846 4.340 -0.000 0.000 0.200 216 L C 1.190 178.063 176.870 0.005 0.000 1.154 216 L CA 0.729 55.622 54.840 0.087 0.000 0.856 216 L CB -0.066 42.083 42.059 0.151 0.000 1.297 216 L HN 0.237 nan 8.230 nan 0.000 0.550 217 T N -1.249 113.127 114.554 -0.297 0.000 2.901 217 T HA 0.253 4.603 4.350 -0.000 0.000 0.293 217 T C -0.754 173.245 174.700 -1.168 0.000 1.084 217 T CA -0.789 60.944 62.100 -0.611 0.000 1.008 217 T CB 1.867 70.291 68.868 -0.739 0.000 1.170 217 T HN 0.326 nan 8.240 nan 0.000 0.509 218 K N 1.740 121.416 120.400 -1.208 0.000 2.257 218 K HA 0.281 4.601 4.320 -0.000 0.000 0.270 218 K C -1.190 174.848 176.600 -0.936 0.000 1.098 218 K CA -0.439 54.966 56.287 -1.469 0.000 0.943 218 K CB 0.004 31.678 32.500 -1.377 0.000 1.316 218 K HN 0.477 nan 8.250 nan 0.000 0.447 219 Y N 3.360 123.148 120.300 -0.854 0.000 2.636 219 Y HA 0.122 4.672 4.550 -0.000 0.000 0.341 219 Y C 0.283 175.493 175.900 -1.150 0.000 1.169 219 Y CA -0.502 57.024 58.100 -0.956 0.000 1.498 219 Y CB 0.347 38.230 38.460 -0.963 0.000 1.362 219 Y HN 0.309 nan 8.280 nan 0.000 0.494 220 K N 2.994 123.103 120.400 -0.486 0.000 2.268 220 K HA 0.421 4.741 4.320 -0.000 0.000 0.276 220 K C -0.144 176.373 176.600 -0.139 0.000 1.080 220 K CA -0.151 55.946 56.287 -0.316 0.000 0.910 220 K CB 0.399 32.785 32.500 -0.191 0.000 1.163 220 K HN 0.647 nan 8.250 nan 0.000 0.465 221 S N 1.746 117.419 115.700 -0.046 0.000 2.694 221 S HA 0.414 4.884 4.470 -0.000 0.000 0.286 221 S C -0.298 174.341 174.600 0.066 0.000 1.080 221 S CA -0.831 57.398 58.200 0.048 0.000 0.953 221 S CB 1.236 64.501 63.200 0.108 0.000 1.313 221 S HN 0.406 nan 8.310 nan 0.000 0.555 222 S N 1.723 117.461 115.700 0.063 0.000 2.500 222 S HA 0.528 4.998 4.470 -0.000 0.000 0.301 222 S C -2.176 172.452 174.600 0.047 0.000 1.092 222 S CA -2.040 56.190 58.200 0.050 0.000 1.030 222 S CB 1.614 64.837 63.200 0.039 0.000 1.031 222 S HN 0.532 nan 8.310 nan 0.000 0.483 223 P HA 0.088 nan 4.420 nan 0.000 0.236 223 P C 0.276 177.596 177.300 0.032 0.000 1.177 223 P CA 0.654 63.772 63.100 0.030 0.000 0.773 223 P CB 0.215 31.932 31.700 0.029 0.000 0.878 224 E N -0.201 120.022 120.200 0.038 0.000 2.465 224 E HA 0.151 4.501 4.350 -0.000 0.000 0.195 224 E C 0.079 176.716 176.600 0.062 0.000 1.028 224 E CA 0.053 56.479 56.400 0.044 0.000 0.899 224 E CB 0.350 30.071 29.700 0.034 0.000 1.032 224 E HN 0.324 nan 8.360 nan 0.000 0.468 225 K N -0.173 120.269 120.400 0.070 0.000 2.397 225 K HA 0.114 4.434 4.320 -0.000 0.000 0.253 225 K C -0.565 176.116 176.600 0.135 0.000 0.932 225 K CA -0.640 55.709 56.287 0.102 0.000 0.795 225 K CB 1.526 34.073 32.500 0.079 0.000 1.159 225 K HN -0.008 nan 8.250 nan 0.000 0.424 226 W N 2.307 123.607 121.300 0.001 0.000 2.364 226 W HA -0.092 4.568 4.660 -0.000 0.000 0.281 226 W C 0.515 177.045 176.519 0.017 0.000 1.219 226 W CA 1.249 58.595 57.345 0.001 0.000 1.220 226 W CB 0.497 29.945 29.460 -0.019 0.000 1.127 226 W HN 0.395 nan 8.180 nan 0.000 0.556 227 S N -0.922 114.874 115.700 0.159 0.000 2.423 227 S HA 0.164 4.634 4.470 -0.000 0.000 0.213 227 S C 0.630 175.279 174.600 0.082 0.000 1.131 227 S CA -0.055 58.187 58.200 0.070 0.000 1.155 227 S CB 0.205 63.512 63.200 0.178 0.000 1.202 227 S HN -0.008 nan 8.310 nan 0.000 0.441 228 T N 2.929 117.511 114.554 0.046 0.000 2.751 228 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 228 T C 1.934 176.660 174.700 0.043 0.000 1.045 228 T CA 1.990 64.118 62.100 0.046 0.000 1.142 228 T CB -0.250 68.642 68.868 0.039 0.000 0.851 228 T HN 0.779 nan 8.240 nan 0.000 0.474 229 A N -0.114 122.736 122.820 0.050 0.000 2.123 229 A HA 0.297 4.617 4.320 -0.000 0.000 0.214 229 A C 1.940 179.552 177.584 0.047 0.000 1.152 229 A CA 1.266 53.324 52.037 0.035 0.000 0.728 229 A CB -0.155 18.870 19.000 0.042 0.000 0.814 229 A HN 0.370 nan 8.150 nan 0.000 0.464 230 S N -1.219 114.531 115.700 0.084 0.000 1.646 230 S HA -0.203 4.267 4.470 -0.000 0.000 0.244 230 S C 0.298 174.975 174.600 0.127 0.000 0.878 230 S CA 0.911 59.166 58.200 0.092 0.000 1.313 230 S CB -1.938 61.294 63.200 0.053 0.000 1.591 230 S HN 1.035 nan 8.310 nan 0.000 0.522 231 D N 3.943 124.446 120.400 0.171 0.000 2.370 231 D HA 0.197 4.837 4.640 -0.000 0.000 0.235 231 D C -1.915 174.500 176.300 0.192 0.000 1.228 231 D CA -0.639 53.518 54.000 0.263 0.000 0.884 231 D CB -0.237 40.828 40.800 0.441 0.000 1.201 231 D HN 0.271 nan 8.370 nan 0.000 0.456 232 P HA 0.063 nan 4.420 nan 0.000 0.231 232 P C -1.257 175.716 177.300 -0.546 0.000 1.756 232 P CA -0.052 62.857 63.100 -0.318 0.000 0.990 232 P CB -0.928 30.379 31.700 -0.654 0.000 1.973 233 Y N -0.912 119.527 120.300 0.230 0.000 2.278 233 Y HA 0.097 4.647 4.550 -0.000 0.000 0.328 233 Y C 0.604 176.376 175.900 -0.213 0.000 1.166 233 Y CA -0.937 57.205 58.100 0.070 0.000 1.211 233 Y CB 0.905 39.375 38.460 0.016 0.000 1.167 233 Y HN 0.036 nan 8.280 nan 0.000 0.434 234 S N 1.116 116.388 115.700 -0.714 0.000 2.563 234 S HA -0.060 4.410 4.470 -0.000 0.000 0.294 234 S C 0.888 175.172 174.600 -0.528 0.000 1.279 234 S CA -0.091 57.342 58.200 -1.278 0.000 1.069 234 S CB 0.774 62.793 63.200 -1.969 0.000 0.828 234 S HN 0.681 nan 8.310 nan 0.000 0.497 235 D N 2.206 122.385 120.400 -0.369 0.000 2.192 235 D HA -0.215 4.425 4.640 -0.000 0.000 0.189 235 D C 1.330 177.529 176.300 -0.170 0.000 1.007 235 D CA 1.785 55.675 54.000 -0.183 0.000 0.859 235 D CB -0.405 40.340 40.800 -0.091 0.000 0.936 235 D HN 0.685 nan 8.370 nan 0.000 0.447 236 F N 1.983 121.718 119.950 -0.358 0.000 2.026 236 F HA -0.187 4.340 4.527 -0.000 0.000 0.296 236 F C 2.324 177.950 175.800 -0.290 0.000 1.133 236 F CA 1.668 59.480 58.000 -0.313 0.000 1.188 236 F CB -0.689 38.125 39.000 -0.309 0.000 0.968 236 F HN -0.081 nan 8.300 nan 0.000 0.476 237 E N 0.088 119.961 120.200 -0.545 0.000 2.197 237 E HA -0.317 4.033 4.350 -0.000 0.000 0.205 237 E C 2.130 178.435 176.600 -0.491 0.000 1.029 237 E CA 2.047 58.091 56.400 -0.594 0.000 0.828 237 E CB -0.148 29.349 29.700 -0.338 0.000 0.737 237 E HN 0.517 nan 8.360 nan 0.000 0.464 238 K N -0.069 120.114 120.400 -0.362 0.000 1.974 238 K HA -0.116 4.204 4.320 -0.000 0.000 0.211 238 K C 2.398 178.785 176.600 -0.355 0.000 1.039 238 K CA 1.446 57.544 56.287 -0.315 0.000 0.947 238 K CB -0.500 31.843 32.500 -0.262 0.000 0.735 238 K HN 0.090 nan 8.250 nan 0.000 0.441 239 V N -0.309 119.372 119.914 -0.388 0.000 2.278 239 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 239 V C 2.272 178.217 176.094 -0.247 0.000 1.062 239 V CA 2.570 64.641 62.300 -0.382 0.000 1.038 239 V CB -1.447 30.195 31.823 -0.301 0.000 0.646 239 V HN 0.448 nan 8.190 nan 0.000 0.447 240 T N -0.402 113.933 114.554 -0.365 0.000 2.881 240 T HA 0.106 4.456 4.350 -0.000 0.000 0.270 240 T C 1.633 176.136 174.700 -0.329 0.000 1.068 240 T CA 2.485 64.348 62.100 -0.395 0.000 1.131 240 T CB -0.780 67.497 68.868 -0.986 0.000 0.871 240 T HN 1.713 nan 8.240 nan 0.000 0.479 241 G N 0.963 109.549 108.800 -0.356 0.000 2.195 241 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 241 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 241 G C 0.317 175.014 174.900 -0.337 0.000 0.984 241 G CA 0.100 45.040 45.100 -0.266 0.000 0.633 241 G HN 0.605 nan 8.290 nan 0.000 0.525 242 R N 0.607 120.784 120.500 -0.538 0.000 3.247 242 R HA 0.667 5.007 4.340 -0.000 0.000 0.212 242 R C 0.335 176.004 176.300 -1.050 0.000 1.604 242 R CA 0.520 56.101 56.100 -0.865 0.000 1.279 242 R CB 0.011 29.729 30.300 -0.971 0.000 1.277 242 R HN 0.587 nan 8.270 nan 0.000 0.669 243 I N -0.944 119.308 120.570 -0.529 0.000 3.099 243 I HA 0.159 4.329 4.170 -0.000 0.000 0.308 243 I C -1.315 174.822 176.117 0.032 0.000 1.405 243 I CA -1.051 60.135 61.300 -0.191 0.000 0.953 243 I CB 2.397 40.321 38.000 -0.128 0.000 1.324 243 I HN 0.210 nan 8.210 nan 0.000 0.495 244 D N 4.168 124.676 120.400 0.180 0.000 2.479 244 D HA -0.032 4.608 4.640 -0.000 0.000 0.257 244 D C 0.772 177.144 176.300 0.120 0.000 1.230 244 D CA 0.351 54.471 54.000 0.200 0.000 0.912 244 D CB 0.903 41.879 40.800 0.292 0.000 1.130 244 D HN 0.337 nan 8.370 nan 0.000 0.515 245 K N 3.365 123.829 120.400 0.106 0.000 2.520 245 K HA -0.123 4.197 4.320 -0.000 0.000 0.197 245 K C 1.050 177.687 176.600 0.062 0.000 1.043 245 K CA 0.362 56.685 56.287 0.062 0.000 0.944 245 K CB -0.008 32.530 32.500 0.063 0.000 0.770 245 K HN 0.486 nan 8.250 nan 0.000 0.480 246 N N 0.493 119.258 118.700 0.108 0.000 2.376 246 N HA -0.057 4.683 4.740 -0.000 0.000 0.177 246 N C 0.091 175.634 175.510 0.054 0.000 1.024 246 N CA 0.130 53.234 53.050 0.091 0.000 0.893 246 N CB 0.187 38.758 38.487 0.141 0.000 0.980 246 N HN -0.112 nan 8.380 nan 0.000 0.439 247 V N 2.668 122.600 119.914 0.029 0.000 2.625 247 V HA -0.117 4.003 4.120 -0.000 0.000 0.305 247 V C 0.659 176.723 176.094 -0.051 0.000 1.055 247 V CA 0.184 62.450 62.300 -0.057 0.000 1.209 247 V CB -0.013 31.665 31.823 -0.242 0.000 0.877 247 V HN 0.179 nan 8.190 nan 0.000 0.489 248 S N 7.736 123.415 115.700 -0.035 0.000 2.561 248 S HA -0.005 4.465 4.470 -0.000 0.000 0.294 248 S C -1.207 173.374 174.600 -0.032 0.000 1.294 248 S CA -0.505 57.681 58.200 -0.023 0.000 1.055 248 S CB 0.560 63.750 63.200 -0.016 0.000 0.819 248 S HN 0.680 nan 8.310 nan 0.000 0.503 249 P HA -0.194 nan 4.420 nan 0.000 0.212 249 P C 1.663 178.963 177.300 0.000 0.000 1.178 249 P CA 1.038 64.135 63.100 -0.004 0.000 0.915 249 P CB -0.052 31.658 31.700 0.016 0.000 0.788 250 E N 0.138 120.342 120.200 0.007 0.000 2.448 250 E HA -0.178 4.172 4.350 -0.000 0.000 0.203 250 E C 1.337 177.925 176.600 -0.020 0.000 1.046 250 E CA 1.711 58.112 56.400 0.001 0.000 0.871 250 E CB -0.976 28.710 29.700 -0.023 0.000 0.790 250 E HN 0.230 nan 8.360 nan 0.000 0.545 251 A N 0.796 123.597 122.820 -0.031 0.000 2.303 251 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 251 A C 2.009 179.551 177.584 -0.070 0.000 1.205 251 A CA 0.103 52.112 52.037 -0.046 0.000 0.875 251 A CB -0.069 18.900 19.000 -0.052 0.000 0.910 251 A HN 0.054 nan 8.150 nan 0.000 0.501 252 R N 0.291 120.749 120.500 -0.070 0.000 2.328 252 R HA -0.040 4.300 4.340 -0.000 0.000 0.207 252 R C 0.574 176.783 176.300 -0.152 0.000 1.056 252 R CA 0.403 56.427 56.100 -0.127 0.000 1.016 252 R CB -0.693 29.543 30.300 -0.106 0.000 0.872 252 R HN 0.610 nan 8.270 nan 0.000 0.471 253 H N -0.330 118.636 119.070 -0.174 0.000 2.548 253 H HA 0.160 4.716 4.556 -0.000 0.000 0.331 253 H C -1.925 173.302 175.328 -0.169 0.000 1.093 253 H CA -2.482 53.446 56.048 -0.200 0.000 1.367 253 H CB 1.785 31.525 29.762 -0.037 0.000 1.455 253 H HN -0.150 nan 8.280 nan 0.000 0.519 254 P HA -0.098 nan 4.420 nan 0.000 0.222 254 P C 0.781 178.197 177.300 0.194 0.000 1.142 254 P CA 1.235 64.342 63.100 0.011 0.000 0.788 254 P CB 0.215 31.836 31.700 -0.132 0.000 0.767 255 L N -2.680 118.822 121.223 0.464 0.000 2.959 255 L HA 0.186 4.526 4.340 -0.000 0.000 0.259 255 L C 0.002 176.835 176.870 -0.061 0.000 1.185 255 L CA -0.213 54.688 54.840 0.102 0.000 0.998 255 L CB 0.720 42.809 42.059 0.050 0.000 1.337 255 L HN -0.304 nan 8.230 nan 0.000 0.555 256 V N 1.141 121.031 119.914 -0.041 0.000 2.357 256 V HA 0.495 4.615 4.120 -0.000 0.000 0.284 256 V C 0.700 176.770 176.094 -0.039 0.000 1.018 256 V CA -0.914 61.328 62.300 -0.096 0.000 0.841 256 V CB 1.485 33.231 31.823 -0.128 0.000 0.991 256 V HN 0.265 nan 8.190 nan 0.000 0.437 257 A N 4.228 127.010 122.820 -0.064 0.000 2.587 257 A HA 0.441 4.761 4.320 -0.000 0.000 0.235 257 A C 0.863 178.499 177.584 0.086 0.000 1.044 257 A CA 0.737 52.740 52.037 -0.057 0.000 0.754 257 A CB 0.212 19.035 19.000 -0.296 0.000 0.968 257 A HN 1.593 nan 8.150 nan 0.000 0.509 258 A N 3.082 126.014 122.820 0.188 0.000 3.113 258 A HA 0.554 4.874 4.320 -0.000 0.000 0.307 258 A C -0.080 177.795 177.584 0.484 0.000 1.025 258 A CA -0.514 51.670 52.037 0.245 0.000 1.012 258 A CB -0.489 18.555 19.000 0.073 0.000 1.085 258 A HN 1.045 nan 8.150 nan 0.000 0.519 259 Y N -1.759 118.607 120.300 0.111 0.000 2.496 259 Y HA 0.845 5.395 4.550 -0.000 0.000 0.331 259 Y C -3.105 172.635 175.900 -0.267 0.000 1.140 259 Y CA -3.347 54.695 58.100 -0.096 0.000 1.166 259 Y CB 1.211 39.660 38.460 -0.019 0.000 1.249 259 Y HN 0.078 nan 8.280 nan 0.000 0.479 260 P HA 0.418 nan 4.420 nan 0.000 0.286 260 P C -1.052 176.020 177.300 -0.381 0.000 1.261 260 P CA -0.310 62.506 63.100 -0.473 0.000 0.821 260 P CB 1.497 32.902 31.700 -0.491 0.000 1.013 261 I N 1.987 122.355 120.570 -0.336 0.000 2.529 261 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 261 I C -0.829 175.174 176.117 -0.189 0.000 1.088 261 I CA -0.875 60.282 61.300 -0.238 0.000 1.062 261 I CB 2.063 39.863 38.000 -0.333 0.000 1.218 261 I HN 0.061 nan 8.210 nan 0.000 0.442 262 V N 7.206 127.019 119.914 -0.167 0.000 2.680 262 V HA 0.671 4.791 4.120 -0.000 0.000 0.309 262 V C -1.154 174.910 176.094 -0.048 0.000 1.052 262 V CA -0.058 62.111 62.300 -0.219 0.000 0.908 262 V CB 2.018 33.601 31.823 -0.401 0.000 1.001 262 V HN 0.887 nan 8.190 nan 0.000 0.431 263 H N 3.354 122.380 119.070 -0.072 0.000 2.946 263 H HA 0.816 5.372 4.556 -0.000 0.000 0.365 263 H C -1.582 173.730 175.328 -0.027 0.000 1.197 263 H CA -1.064 54.965 56.048 -0.032 0.000 1.131 263 H CB 1.774 31.507 29.762 -0.049 0.000 1.849 263 H HN 0.447 nan 8.280 nan 0.000 0.555 264 V N 1.763 121.787 119.914 0.183 0.000 2.427 264 V HA 0.240 4.360 4.120 -0.000 0.000 0.286 264 V C -0.331 175.833 176.094 0.118 0.000 1.034 264 V CA -0.525 61.788 62.300 0.022 0.000 0.893 264 V CB 1.154 32.940 31.823 -0.062 0.000 0.982 264 V HN 0.886 nan 8.190 nan 0.000 0.452 265 D N 4.443 124.852 120.400 0.015 0.000 2.217 265 D HA 0.430 5.070 4.640 -0.000 0.000 0.243 265 D C -0.564 175.747 176.300 0.019 0.000 1.054 265 D CA -0.493 53.559 54.000 0.087 0.000 0.838 265 D CB 1.765 42.658 40.800 0.156 0.000 1.162 265 D HN 0.531 nan 8.370 nan 0.000 0.472 266 M N 4.245 123.860 119.600 0.025 0.000 2.043 266 M HA 0.242 4.722 4.480 -0.000 0.000 0.322 266 M C 0.459 176.768 176.300 0.015 0.000 0.962 266 M CA -0.353 54.946 55.300 -0.001 0.000 0.927 266 M CB 0.959 33.553 32.600 -0.010 0.000 1.466 266 M HN 0.369 nan 8.290 nan 0.000 0.412 267 E N 2.620 122.827 120.200 0.012 0.000 2.047 267 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 267 E C -0.414 176.188 176.600 0.004 0.000 0.987 267 E CA 1.054 57.462 56.400 0.013 0.000 0.799 267 E CB 0.136 29.839 29.700 0.005 0.000 0.752 267 E HN 0.824 nan 8.360 nan 0.000 0.449 268 N N -0.334 118.362 118.700 -0.007 0.000 2.504 268 N HA 0.297 5.037 4.740 -0.000 0.000 0.268 268 N C -0.890 174.605 175.510 -0.025 0.000 1.184 268 N CA -0.728 52.315 53.050 -0.012 0.000 0.875 268 N CB 0.942 39.422 38.487 -0.013 0.000 1.630 268 N HN 0.027 nan 8.380 nan 0.000 0.486 269 I N -2.025 118.523 120.570 -0.038 0.000 3.100 269 I HA 0.740 4.910 4.170 -0.000 0.000 0.312 269 I C -0.773 175.299 176.117 -0.075 0.000 1.063 269 I CA -1.348 59.919 61.300 -0.056 0.000 1.031 269 I CB 2.054 40.010 38.000 -0.072 0.000 1.243 269 I HN 0.635 nan 8.210 nan 0.000 0.483 270 I N 3.299 123.820 120.570 -0.082 0.000 2.560 270 I HA 0.368 4.538 4.170 -0.000 0.000 0.283 270 I C -1.639 174.424 176.117 -0.091 0.000 1.115 270 I CA -0.417 60.830 61.300 -0.088 0.000 1.066 270 I CB 1.255 39.224 38.000 -0.053 0.000 1.221 270 I HN 0.565 nan 8.210 nan 0.000 0.450 271 L N 7.033 128.171 121.223 -0.142 0.000 2.292 271 L HA 0.610 4.950 4.340 -0.000 0.000 0.284 271 L C 0.041 176.898 176.870 -0.021 0.000 1.065 271 L CA -0.212 54.575 54.840 -0.088 0.000 0.806 271 L CB 1.637 43.577 42.059 -0.198 0.000 1.175 271 L HN 0.688 nan 8.230 nan 0.000 0.431 272 S N 1.134 116.852 115.700 0.030 0.000 2.579 272 S HA 0.464 4.934 4.470 -0.000 0.000 0.272 272 S C -1.010 173.603 174.600 0.021 0.000 1.141 272 S CA -1.245 56.967 58.200 0.020 0.000 0.843 272 S CB 1.794 64.994 63.200 0.001 0.000 1.122 272 S HN 0.591 nan 8.310 nan 0.000 0.468 273 K N 1.506 121.902 120.400 -0.007 0.000 2.383 273 K HA 0.193 4.513 4.320 -0.000 0.000 0.286 273 K C -0.099 176.494 176.600 -0.013 0.000 1.051 273 K CA -0.532 55.738 56.287 -0.029 0.000 0.974 273 K CB 0.232 32.706 32.500 -0.043 0.000 0.968 273 K HN 0.542 nan 8.250 nan 0.000 0.475 274 N N 3.396 122.091 118.700 -0.007 0.000 2.359 274 N HA -0.127 4.613 4.740 -0.000 0.000 0.261 274 N C -0.139 175.367 175.510 -0.006 0.000 1.267 274 N CA 0.460 53.510 53.050 -0.000 0.000 0.864 274 N CB 0.526 39.016 38.487 0.005 0.000 1.063 274 N HN 0.861 nan 8.380 nan 0.000 0.474 284 S N 0.645 116.344 115.700 -0.001 0.000 2.416 284 S HA 0.434 4.904 4.470 -0.000 0.000 0.287 284 S C 0.640 175.240 174.600 -0.000 0.000 1.139 284 S CA 0.186 58.385 58.200 -0.001 0.000 1.058 284 S CB 0.899 64.098 63.200 -0.003 0.000 0.967 284 S HN 0.200 nan 8.310 nan 0.000 0.495 285 Q N 2.097 121.898 119.800 0.001 0.000 2.427 285 Q HA 0.065 4.405 4.340 -0.000 0.000 0.249 285 Q C 1.323 177.325 176.000 0.003 0.000 0.783 285 Q CA 0.462 56.266 55.803 0.001 0.000 0.978 285 Q CB 0.387 29.126 28.738 0.001 0.000 1.273 285 Q HN 0.813 nan 8.270 nan 0.000 0.524 286 T N -1.735 112.823 114.554 0.007 0.000 3.054 286 T HA 0.205 4.555 4.350 -0.000 0.000 0.255 286 T C 1.099 175.810 174.700 0.018 0.000 1.035 286 T CA -0.389 61.718 62.100 0.013 0.000 0.941 286 T CB 0.230 69.108 68.868 0.016 0.000 1.026 286 T HN -0.068 nan 8.240 nan 0.000 0.533 287 R N 2.816 123.324 120.500 0.013 0.000 2.423 287 R HA 0.190 4.530 4.340 -0.000 0.000 0.248 287 R C 0.467 176.776 176.300 0.014 0.000 1.019 287 R CA 0.108 56.218 56.100 0.017 0.000 1.119 287 R CB -1.033 29.271 30.300 0.007 0.000 1.176 287 R HN 0.682 nan 8.270 nan 0.000 0.526 288 T N -1.797 112.762 114.554 0.008 0.000 2.848 288 T HA 0.629 4.979 4.350 -0.000 0.000 0.285 288 T C 0.314 174.999 174.700 -0.025 0.000 0.995 288 T CA -0.980 61.115 62.100 -0.008 0.000 0.970 288 T CB 1.730 70.590 68.868 -0.013 0.000 0.976 288 T HN 0.215 nan 8.240 nan 0.000 0.441 289 I N 0.135 120.662 120.570 -0.072 0.000 2.385 289 I HA 0.780 4.950 4.170 -0.000 0.000 0.294 289 I C -0.183 175.848 176.117 -0.144 0.000 0.988 289 I CA -0.633 60.590 61.300 -0.128 0.000 1.265 289 I CB 1.877 39.685 38.000 -0.321 0.000 1.388 289 I HN 0.653 nan 8.210 nan 0.000 0.480 290 S N 5.571 121.215 115.700 -0.093 0.000 2.652 290 S HA 0.431 4.901 4.470 -0.000 0.000 0.252 290 S C -0.637 173.935 174.600 -0.046 0.000 1.219 290 S CA -0.788 57.367 58.200 -0.075 0.000 1.151 290 S CB 0.272 63.446 63.200 -0.043 0.000 1.080 290 S HN 0.599 nan 8.310 nan 0.000 0.481 291 K N 2.791 123.158 120.400 -0.055 0.000 2.166 291 K HA 0.508 4.828 4.320 -0.000 0.000 0.245 291 K C -0.191 176.411 176.600 0.003 0.000 0.967 291 K CA -0.816 55.473 56.287 0.002 0.000 0.863 291 K CB 0.774 33.303 32.500 0.050 0.000 1.107 291 K HN 0.526 nan 8.250 nan 0.000 0.436 292 N N 0.014 118.729 118.700 0.025 0.000 2.413 292 N HA 0.369 5.109 4.740 -0.000 0.000 0.266 292 N C -0.508 175.022 175.510 0.033 0.000 1.238 292 N CA -0.157 52.906 53.050 0.021 0.000 0.972 292 N CB 0.717 39.218 38.487 0.023 0.000 1.210 292 N HN 0.598 nan 8.380 nan 0.000 0.547 293 T N -3.710 110.860 114.554 0.027 0.000 2.883 293 T HA 0.660 5.010 4.350 -0.000 0.000 0.301 293 T C -1.098 173.620 174.700 0.030 0.000 1.158 293 T CA -0.924 61.194 62.100 0.031 0.000 1.007 293 T CB 1.129 70.009 68.868 0.020 0.000 1.186 293 T HN 0.168 nan 8.240 nan 0.000 0.499 294 S N 1.602 117.319 115.700 0.030 0.000 2.669 294 S HA 0.613 5.083 4.470 -0.000 0.000 0.315 294 S C -0.183 174.429 174.600 0.019 0.000 1.106 294 S CA -0.714 57.502 58.200 0.026 0.000 1.107 294 S CB 1.084 64.296 63.200 0.019 0.000 0.990 294 S HN 0.854 nan 8.310 nan 0.000 0.471 295 T N 2.608 117.181 114.554 0.031 0.000 2.934 295 T HA 0.776 5.126 4.350 -0.000 0.000 0.283 295 T C -0.178 174.522 174.700 -0.002 0.000 1.005 295 T CA -0.823 61.289 62.100 0.021 0.000 1.041 295 T CB 1.265 70.167 68.868 0.055 0.000 1.042 295 T HN 0.650 nan 8.240 nan 0.000 0.505 296 S N 0.764 116.422 115.700 -0.070 0.000 2.586 296 S HA 0.418 4.888 4.470 -0.000 0.000 0.296 296 S C -0.761 173.688 174.600 -0.251 0.000 1.120 296 S CA -1.149 56.967 58.200 -0.140 0.000 0.927 296 S CB 0.915 64.067 63.200 -0.079 0.000 1.114 296 S HN 0.692 nan 8.310 nan 0.000 0.453 297 R N 1.123 121.348 120.500 -0.458 0.000 2.740 297 R HA 0.337 4.677 4.340 -0.000 0.000 0.263 297 R C 0.870 177.059 176.300 -0.185 0.000 0.997 297 R CA 1.364 57.210 56.100 -0.423 0.000 1.108 297 R CB 0.255 30.311 30.300 -0.406 0.000 0.969 297 R HN 0.924 nan 8.270 nan 0.000 0.431 298 T N -1.701 112.791 114.554 -0.103 0.000 2.724 298 T HA 0.311 4.661 4.350 -0.000 0.000 0.274 298 T C -0.443 174.298 174.700 0.069 0.000 0.984 298 T CA -0.610 61.475 62.100 -0.025 0.000 1.024 298 T CB 1.608 70.468 68.868 -0.013 0.000 1.320 298 T HN 0.781 nan 8.240 nan 0.000 0.555 299 H N -0.028 119.008 119.070 -0.057 0.000 3.757 299 H HA 0.262 4.818 4.556 -0.000 0.000 0.214 299 H C -0.024 175.328 175.328 0.041 0.000 1.275 299 H CA 0.285 56.305 56.048 -0.046 0.000 1.205 299 H CB -0.599 29.069 29.762 -0.157 0.000 2.906 299 H HN 1.082 nan 8.280 nan 0.000 0.550 300 T N -1.303 113.248 114.554 -0.006 0.000 2.723 300 T HA -0.003 4.347 4.350 -0.000 0.000 0.260 300 T C 0.848 175.564 174.700 0.026 0.000 1.019 300 T CA 1.009 63.115 62.100 0.010 0.000 1.155 300 T CB 0.893 69.763 68.868 0.003 0.000 1.024 300 T HN 0.359 nan 8.240 nan 0.000 0.491 301 S N 2.216 117.966 115.700 0.083 0.000 2.561 301 S HA 0.403 4.873 4.470 -0.000 0.000 0.282 301 S C 0.238 174.856 174.600 0.030 0.000 1.123 301 S CA -0.928 57.337 58.200 0.108 0.000 1.011 301 S CB 0.757 64.066 63.200 0.182 0.000 1.244 301 S HN 0.864 nan 8.310 nan 0.000 0.503 302 E N 0.103 120.311 120.200 0.015 0.000 2.322 302 E HA 0.374 4.724 4.350 -0.000 0.000 0.257 302 E C 0.219 176.840 176.600 0.035 0.000 1.155 302 E CA -0.688 55.717 56.400 0.007 0.000 0.936 302 E CB 0.909 30.616 29.700 0.012 0.000 1.130 302 E HN 0.486 nan 8.360 nan 0.000 0.465 303 V N -1.729 118.189 119.914 0.006 0.000 3.894 303 V HA 0.060 4.180 4.120 -0.000 0.000 0.268 303 V C 1.118 177.308 176.094 0.159 0.000 0.956 303 V CA 0.180 62.491 62.300 0.018 0.000 0.843 303 V CB -0.077 31.686 31.823 -0.101 0.000 1.198 303 V HN 0.733 nan 8.190 nan 0.000 0.393 304 H N 0.412 119.475 119.070 -0.012 0.000 2.287 304 H HA 0.411 4.967 4.556 -0.000 0.000 0.309 304 H C 1.295 176.625 175.328 0.005 0.000 1.059 304 H CA 0.570 56.618 56.048 0.000 0.000 1.357 304 H CB 0.216 29.976 29.762 -0.002 0.000 1.409 304 H HN 0.919 nan 8.280 nan 0.000 0.515 305 G N 0.146 109.024 108.800 0.131 0.000 3.643 305 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.232 305 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.232 305 G C -0.316 174.611 174.900 0.045 0.000 3.381 305 G CA 0.061 45.206 45.100 0.075 0.000 0.783 305 G HN 0.545 nan 8.290 nan 0.000 0.357 306 N N -1.367 117.334 118.700 0.001 0.000 1.863 306 N HA 0.120 4.860 4.740 -0.000 0.000 0.241 306 N C 0.819 176.297 175.510 -0.053 0.000 1.395 306 N CA 0.480 53.522 53.050 -0.012 0.000 0.765 306 N CB 0.011 38.498 38.487 -0.000 0.000 1.120 306 N HN 0.930 nan 8.380 nan 0.000 0.510 307 A N 2.121 124.885 122.820 -0.093 0.000 2.526 307 A HA 0.090 4.410 4.320 -0.000 0.000 0.267 307 A C 0.271 177.776 177.584 -0.133 0.000 1.095 307 A CA 0.174 52.139 52.037 -0.121 0.000 0.775 307 A CB -0.563 18.343 19.000 -0.156 0.000 1.036 307 A HN 0.285 nan 8.150 nan 0.000 0.510 308 E N 1.662 121.808 120.200 -0.089 0.000 2.406 308 E HA 0.176 4.526 4.350 -0.000 0.000 0.247 308 E C 0.119 176.661 176.600 -0.096 0.000 1.160 308 E CA 0.046 56.403 56.400 -0.072 0.000 0.950 308 E CB -0.095 29.584 29.700 -0.036 0.000 0.993 308 E HN 0.557 nan 8.360 nan 0.000 0.472 309 V N 1.560 121.372 119.914 -0.170 0.000 2.483 309 V HA 0.237 4.357 4.120 -0.000 0.000 0.295 309 V C 0.492 176.518 176.094 -0.113 0.000 1.035 309 V CA -1.230 60.941 62.300 -0.215 0.000 0.896 309 V CB 1.236 32.654 31.823 -0.673 0.000 0.986 309 V HN 0.630 nan 8.190 nan 0.000 0.447 310 H N 3.675 122.689 119.070 -0.094 0.000 3.073 310 H HA 0.145 4.701 4.556 -0.000 0.000 0.340 310 H C 1.361 176.695 175.328 0.011 0.000 1.054 310 H CA 0.271 56.303 56.048 -0.027 0.000 1.372 310 H CB 0.526 30.279 29.762 -0.015 0.000 1.314 310 H HN 0.956 nan 8.280 nan 0.000 0.603 311 A N 2.933 125.793 122.820 0.066 0.000 2.042 311 A HA -0.199 4.121 4.320 -0.000 0.000 0.222 311 A C 2.101 179.688 177.584 0.005 0.000 1.167 311 A CA 1.678 53.750 52.037 0.058 0.000 0.649 311 A CB -0.807 18.248 19.000 0.092 0.000 0.809 311 A HN 0.721 nan 8.150 nan 0.000 0.457 312 S N -1.162 114.523 115.700 -0.026 0.000 2.881 312 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 312 S C 0.833 175.316 174.600 -0.195 0.000 0.965 312 S CA 0.207 58.390 58.200 -0.030 0.000 0.998 312 S CB -0.561 62.735 63.200 0.161 0.000 0.795 312 S HN 0.612 nan 8.310 nan 0.000 0.518 313 F N 0.591 120.240 119.950 -0.502 0.000 2.446 313 F HA 0.338 4.865 4.527 -0.000 0.000 0.292 313 F C 0.442 175.928 175.800 -0.522 0.000 1.096 313 F CA -0.036 57.585 58.000 -0.633 0.000 1.438 313 F CB 0.139 38.605 39.000 -0.891 0.000 1.107 313 F HN 0.166 nan 8.300 nan 0.000 0.546 314 F N 1.422 121.253 119.950 -0.198 0.000 2.898 314 F HA 0.243 4.770 4.527 -0.000 0.000 0.290 314 F C 0.272 175.973 175.800 -0.166 0.000 1.195 314 F CA -0.821 57.032 58.000 -0.246 0.000 1.387 314 F CB -0.907 38.033 39.000 -0.100 0.000 0.976 314 F HN -0.155 nan 8.300 nan 0.000 0.510 315 D N -0.328 120.037 120.400 -0.058 0.000 2.569 315 D HA 0.391 5.031 4.640 -0.000 0.000 0.266 315 D C 0.309 176.574 176.300 -0.059 0.000 1.164 315 D CA -0.470 53.512 54.000 -0.029 0.000 1.071 315 D CB 1.944 42.732 40.800 -0.019 0.000 1.183 315 D HN -0.106 nan 8.370 nan 0.000 0.613 316 I N 0.948 121.497 120.570 -0.035 0.000 2.363 316 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 316 I C 1.515 177.610 176.117 -0.037 0.000 1.075 316 I CA 0.266 61.544 61.300 -0.037 0.000 1.333 316 I CB 0.435 38.422 38.000 -0.021 0.000 1.415 316 I HN 0.699 nan 8.210 nan 0.000 0.502 317 G N 4.737 113.507 108.800 -0.050 0.000 2.480 317 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 317 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 317 G C 0.814 175.692 174.900 -0.037 0.000 1.073 317 G CA 0.113 45.190 45.100 -0.037 0.000 0.643 317 G HN 0.900 nan 8.290 nan 0.000 0.525 318 G N -0.553 108.223 108.800 -0.039 0.000 2.346 318 G HA2 0.520 4.480 3.960 -0.000 0.000 0.275 318 G HA3 0.520 4.480 3.960 -0.000 0.000 0.275 318 G C 1.078 175.948 174.900 -0.050 0.000 1.190 318 G CA 1.161 46.249 45.100 -0.020 0.000 1.015 318 G HN 1.478 nan 8.290 nan 0.000 0.441 319 S N 0.273 115.986 115.700 0.021 0.000 2.723 319 S HA -0.241 4.229 4.470 -0.000 0.000 0.261 319 S C 1.150 175.754 174.600 0.007 0.000 1.294 319 S CA 1.057 59.300 58.200 0.073 0.000 1.467 319 S CB -1.199 62.051 63.200 0.083 0.000 1.849 319 S HN 0.806 nan 8.310 nan 0.000 0.672 320 V N 3.528 123.355 119.914 -0.146 0.000 2.070 320 V HA 0.082 4.202 4.120 -0.000 0.000 0.239 320 V C 1.502 177.546 176.094 -0.084 0.000 1.472 320 V CA 0.806 62.972 62.300 -0.224 0.000 1.453 320 V CB -0.223 31.454 31.823 -0.242 0.000 1.503 320 V HN 0.740 nan 8.190 nan 0.000 0.501 321 S N 2.112 117.805 115.700 -0.011 0.000 2.595 321 S HA 0.072 4.542 4.470 -0.000 0.000 0.235 321 S C 1.534 176.100 174.600 -0.056 0.000 0.974 321 S CA 0.365 58.562 58.200 -0.005 0.000 0.942 321 S CB -0.329 62.887 63.200 0.026 0.000 0.766 321 S HN 1.686 nan 8.310 nan 0.000 0.536 322 A N -0.025 122.742 122.820 -0.089 0.000 2.832 322 A HA 0.039 4.359 4.320 -0.000 0.000 0.280 322 A C 1.816 179.204 177.584 -0.328 0.000 1.464 322 A CA 1.194 53.139 52.037 -0.154 0.000 0.804 322 A CB -2.181 16.751 19.000 -0.114 0.000 1.020 322 A HN 2.117 nan 8.150 nan 0.000 0.563 323 G N -2.428 106.217 108.800 -0.259 0.000 3.909 323 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.218 323 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.218 323 G C 0.156 174.856 174.900 -0.333 0.000 1.404 323 G CA 0.768 45.629 45.100 -0.398 0.000 0.905 323 G HN 2.253 nan 8.290 nan 0.000 0.589 324 F N 0.806 120.709 119.950 -0.078 0.000 2.591 324 F HA 0.884 5.411 4.527 -0.000 0.000 0.309 324 F C 0.009 175.775 175.800 -0.058 0.000 1.098 324 F CA -0.936 56.947 58.000 -0.195 0.000 0.937 324 F CB 1.342 39.977 39.000 -0.609 0.000 1.250 324 F HN 0.870 nan 8.300 nan 0.000 0.447 325 S N 0.463 116.286 115.700 0.204 0.000 2.911 325 S HA 0.557 5.027 4.470 -0.000 0.000 0.319 325 S C -1.274 173.431 174.600 0.174 0.000 1.154 325 S CA -1.211 57.102 58.200 0.189 0.000 0.857 325 S CB 1.079 64.343 63.200 0.107 0.000 1.279 325 S HN 0.606 nan 8.310 nan 0.000 0.593 326 N N 1.679 120.463 118.700 0.139 0.000 2.420 326 N HA 0.472 5.212 4.740 -0.000 0.000 0.262 326 N C -0.830 174.739 175.510 0.098 0.000 1.144 326 N CA 0.333 53.460 53.050 0.127 0.000 0.952 326 N CB 0.963 39.517 38.487 0.111 0.000 1.081 326 N HN 0.653 nan 8.380 nan 0.000 0.480 327 S N 2.366 118.126 115.700 0.100 0.000 2.799 327 S HA 0.037 4.507 4.470 -0.000 0.000 0.303 327 S C -1.844 172.808 174.600 0.086 0.000 0.835 327 S CA -0.876 57.373 58.200 0.081 0.000 0.783 327 S CB 0.127 63.367 63.200 0.067 0.000 0.985 327 S HN 0.444 nan 8.310 nan 0.000 0.507 328 N N 2.568 121.319 118.700 0.085 0.000 2.444 328 N HA 0.394 5.134 4.740 -0.000 0.000 0.271 328 N C -0.896 174.657 175.510 0.072 0.000 1.069 328 N CA -0.104 52.998 53.050 0.086 0.000 0.965 328 N CB 1.677 40.230 38.487 0.109 0.000 1.092 328 N HN 0.476 nan 8.380 nan 0.000 0.476 329 S N 0.997 116.726 115.700 0.050 0.000 2.721 329 S HA 0.282 4.752 4.470 -0.000 0.000 0.264 329 S C -0.256 174.340 174.600 -0.007 0.000 1.161 329 S CA -0.768 57.450 58.200 0.031 0.000 1.113 329 S CB -0.016 63.200 63.200 0.027 0.000 1.079 329 S HN 0.521 nan 8.310 nan 0.000 0.479 330 S N 3.309 119.002 115.700 -0.011 0.000 2.681 330 S HA 0.809 5.279 4.470 -0.000 0.000 0.270 330 S C -0.172 174.406 174.600 -0.037 0.000 1.209 330 S CA -0.481 57.677 58.200 -0.070 0.000 0.988 330 S CB 1.321 64.502 63.200 -0.032 0.000 1.006 330 S HN 0.612 nan 8.310 nan 0.000 0.558 331 T N 0.838 115.363 114.554 -0.048 0.000 3.071 331 T HA 0.540 4.890 4.350 -0.000 0.000 0.311 331 T C -0.458 174.231 174.700 -0.018 0.000 1.042 331 T CA -0.670 61.415 62.100 -0.025 0.000 1.028 331 T CB 1.234 70.088 68.868 -0.024 0.000 1.068 331 T HN 1.008 nan 8.240 nan 0.000 0.451 332 V N 0.503 120.414 119.914 -0.006 0.000 2.975 332 V HA 1.070 5.190 4.120 -0.000 0.000 0.318 332 V C -0.345 175.752 176.094 0.005 0.000 1.077 332 V CA -1.102 61.200 62.300 0.003 0.000 1.000 332 V CB 1.461 33.288 31.823 0.007 0.000 1.066 332 V HN 1.126 nan 8.190 nan 0.000 0.452 333 A N 3.306 126.134 122.820 0.014 0.000 2.422 333 A HA 0.844 5.164 4.320 -0.000 0.000 0.302 333 A C -0.771 176.841 177.584 0.048 0.000 1.041 333 A CA -0.757 51.292 52.037 0.021 0.000 0.708 333 A CB 1.243 20.247 19.000 0.006 0.000 1.257 333 A HN 0.909 nan 8.150 nan 0.000 0.414 334 I N 2.059 122.676 120.570 0.078 0.000 2.342 334 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 334 I C 0.248 176.469 176.117 0.172 0.000 1.010 334 I CA -0.562 60.810 61.300 0.119 0.000 1.308 334 I CB 1.198 39.300 38.000 0.170 0.000 1.400 334 I HN 0.690 nan 8.210 nan 0.000 0.488 335 D N 7.024 127.520 120.400 0.160 0.000 2.554 335 D HA -0.171 4.469 4.640 -0.000 0.000 0.251 335 D C 1.281 177.742 176.300 0.269 0.000 1.213 335 D CA 0.358 54.477 54.000 0.198 0.000 0.900 335 D CB 0.619 41.494 40.800 0.126 0.000 1.135 335 D HN 0.609 nan 8.370 nan 0.000 0.522 336 H N 1.808 120.952 119.070 0.124 0.000 2.551 336 H HA 0.086 4.642 4.556 -0.000 0.000 0.266 336 H C 0.367 175.803 175.328 0.180 0.000 0.977 336 H CA -0.348 55.788 56.048 0.147 0.000 1.163 336 H CB -0.106 29.711 29.762 0.092 0.000 1.381 336 H HN 0.058 nan 8.280 nan 0.000 0.581 337 S N 0.453 115.996 115.700 -0.262 0.000 2.618 337 S HA 0.286 4.756 4.470 -0.000 0.000 0.254 337 S C 0.833 175.420 174.600 -0.022 0.000 1.284 337 S CA -0.538 57.525 58.200 -0.228 0.000 0.975 337 S CB 0.568 63.697 63.200 -0.117 0.000 1.022 337 S HN 0.216 nan 8.310 nan 0.000 0.571 338 L N 0.200 121.436 121.223 0.022 0.000 2.387 338 L HA 0.473 4.813 4.340 -0.000 0.000 0.266 338 L C 1.136 178.054 176.870 0.080 0.000 1.059 338 L CA -0.207 54.673 54.840 0.067 0.000 0.801 338 L CB 1.420 43.529 42.059 0.084 0.000 1.223 338 L HN 0.654 nan 8.230 nan 0.000 0.456 339 S N -0.340 115.410 115.700 0.082 0.000 2.769 339 S HA 0.411 4.881 4.470 -0.000 0.000 0.258 339 S C 0.372 175.001 174.600 0.049 0.000 1.080 339 S CA -0.271 57.966 58.200 0.061 0.000 0.943 339 S CB 0.461 63.700 63.200 0.065 0.000 0.893 339 S HN 0.430 nan 8.310 nan 0.000 0.490 340 L N -0.107 121.152 121.223 0.061 0.000 2.606 340 L HA 0.757 5.097 4.340 -0.000 0.000 0.255 340 L C 1.413 178.314 176.870 0.053 0.000 1.501 340 L CA -0.454 54.416 54.840 0.049 0.000 1.593 340 L CB 0.162 42.253 42.059 0.053 0.000 2.049 340 L HN 0.188 nan 8.230 nan 0.000 0.576 341 A N 0.030 122.877 122.820 0.045 0.000 3.470 341 A HA 0.212 4.532 4.320 -0.000 0.000 0.174 341 A C 1.311 178.917 177.584 0.038 0.000 1.652 341 A CA 0.756 52.819 52.037 0.043 0.000 0.777 341 A CB -1.440 17.579 19.000 0.033 0.000 1.128 341 A HN 0.762 nan 8.150 nan 0.000 0.452 342 G N 0.790 109.606 108.800 0.026 0.000 3.374 342 G HA2 0.345 4.305 3.960 -0.000 0.000 0.252 342 G HA3 0.345 4.305 3.960 -0.000 0.000 0.252 342 G C 0.301 175.210 174.900 0.016 0.000 1.326 342 G CA 0.338 45.444 45.100 0.010 0.000 1.133 342 G HN 0.790 nan 8.290 nan 0.000 0.528 343 E N -0.240 119.981 120.200 0.035 0.000 2.492 343 E HA 0.150 4.500 4.350 -0.000 0.000 0.266 343 E C 0.023 176.650 176.600 0.044 0.000 1.047 343 E CA -0.123 56.313 56.400 0.061 0.000 0.968 343 E CB 0.717 30.475 29.700 0.098 0.000 0.960 343 E HN 0.233 nan 8.360 nan 0.000 0.452 344 R N 1.223 121.765 120.500 0.071 0.000 2.560 344 R HA 0.136 4.476 4.340 -0.000 0.000 0.267 344 R C -1.573 174.775 176.300 0.080 0.000 1.150 344 R CA -0.057 56.073 56.100 0.051 0.000 0.997 344 R CB 1.549 31.868 30.300 0.031 0.000 1.250 344 R HN 0.747 nan 8.270 nan 0.000 0.433 345 T N 4.379 118.961 114.554 0.047 0.000 1.247 345 T HA -0.133 4.217 4.350 -0.000 0.000 0.692 345 T C 0.948 175.777 174.700 0.215 0.000 0.971 345 T CA 0.970 63.101 62.100 0.053 0.000 3.665 345 T CB -0.393 68.520 68.868 0.076 0.000 2.085 345 T HN 0.649 nan 8.240 nan 0.000 0.386 346 W N 1.840 123.240 121.300 0.166 0.000 2.276 346 W HA -0.249 4.411 4.660 -0.000 0.000 0.307 346 W C 2.391 179.066 176.519 0.260 0.000 1.240 346 W CA 1.197 58.685 57.345 0.239 0.000 1.249 346 W CB -1.661 27.991 29.460 0.321 0.000 1.140 346 W HN 0.995 nan 8.180 nan 0.000 0.519 347 A N 0.650 123.754 122.820 0.473 0.000 1.862 347 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 347 A C 1.896 179.595 177.584 0.191 0.000 1.251 347 A CA 2.520 54.731 52.037 0.290 0.000 0.673 347 A CB -1.291 17.869 19.000 0.267 0.000 0.843 347 A HN 0.412 nan 8.150 nan 0.000 0.458 348 E N -1.149 119.148 120.200 0.162 0.000 2.233 348 E HA -0.178 4.172 4.350 -0.000 0.000 0.199 348 E C 2.079 178.746 176.600 0.112 0.000 1.004 348 E CA 1.564 58.031 56.400 0.112 0.000 0.819 348 E CB -0.467 29.289 29.700 0.094 0.000 0.738 348 E HN 0.712 nan 8.360 nan 0.000 0.478 349 T N 0.788 115.439 114.554 0.161 0.000 2.674 349 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 349 T C 1.904 176.672 174.700 0.113 0.000 1.039 349 T CA 1.281 63.473 62.100 0.153 0.000 1.150 349 T CB -0.071 68.936 68.868 0.232 0.000 0.864 349 T HN 0.136 nan 8.240 nan 0.000 0.427 350 M N -0.199 119.474 119.600 0.122 0.000 2.276 350 M HA 0.254 4.734 4.480 -0.000 0.000 0.262 350 M C 1.431 177.742 176.300 0.020 0.000 1.098 350 M CA 1.063 56.398 55.300 0.057 0.000 1.167 350 M CB 0.380 33.003 32.600 0.037 0.000 1.337 350 M HN 0.471 nan 8.290 nan 0.000 0.446 351 G N 1.799 110.609 108.800 0.016 0.000 2.618 351 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.180 351 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.180 351 G C -0.686 174.187 174.900 -0.045 0.000 1.092 351 G CA -0.697 44.401 45.100 -0.004 0.000 0.856 351 G HN 0.261 nan 8.290 nan 0.000 0.496 352 L N 0.935 122.126 121.223 -0.054 0.000 2.282 352 L HA 0.534 4.874 4.340 -0.000 0.000 0.288 352 L C -0.153 176.648 176.870 -0.114 0.000 1.033 352 L CA -1.009 53.777 54.840 -0.091 0.000 0.807 352 L CB 1.245 43.177 42.059 -0.212 0.000 1.209 352 L HN 0.177 nan 8.230 nan 0.000 0.423 353 N N 0.998 119.527 118.700 -0.286 0.000 2.335 353 N HA 0.278 5.018 4.740 -0.000 0.000 0.304 353 N C 0.815 175.899 175.510 -0.711 0.000 1.135 353 N CA -0.488 52.248 53.050 -0.522 0.000 0.817 353 N CB 1.977 40.304 38.487 -0.268 0.000 1.294 353 N HN 0.478 nan 8.380 nan 0.000 0.497 354 T N 1.380 115.367 114.554 -0.944 0.000 2.719 354 T HA -0.290 4.060 4.350 -0.000 0.000 0.254 354 T C 1.124 175.687 174.700 -0.228 0.000 1.106 354 T CA 2.352 64.116 62.100 -0.560 0.000 1.146 354 T CB -0.302 68.405 68.868 -0.269 0.000 0.839 354 T HN 0.730 nan 8.240 nan 0.000 0.473 355 A N 2.010 124.722 122.820 -0.180 0.000 3.105 355 A HA 0.348 4.668 4.320 -0.000 0.000 0.272 355 A C -0.030 177.508 177.584 -0.076 0.000 1.466 355 A CA -0.348 51.635 52.037 -0.090 0.000 1.101 355 A CB 0.009 18.967 19.000 -0.071 0.000 1.065 355 A HN 0.348 nan 8.150 nan 0.000 0.643 356 D N -0.036 120.320 120.400 -0.073 0.000 2.547 356 D HA 0.522 5.162 4.640 -0.000 0.000 0.231 356 D C -0.533 175.767 176.300 0.000 0.000 1.099 356 D CA 0.053 54.024 54.000 -0.048 0.000 0.901 356 D CB 2.205 42.954 40.800 -0.085 0.000 1.478 356 D HN 0.291 nan 8.370 nan 0.000 0.471 357 T N -2.130 112.422 114.554 -0.002 0.000 2.841 357 T HA 0.767 5.117 4.350 -0.000 0.000 0.283 357 T C -0.611 174.097 174.700 0.013 0.000 1.000 357 T CA -0.864 61.251 62.100 0.024 0.000 0.977 357 T CB 1.788 70.671 68.868 0.025 0.000 0.979 357 T HN 0.363 nan 8.240 nan 0.000 0.446 358 A N 3.644 126.494 122.820 0.051 0.000 2.318 358 A HA 0.755 5.074 4.320 -0.000 0.000 0.324 358 A C 0.297 177.938 177.584 0.095 0.000 1.170 358 A CA -1.243 50.839 52.037 0.074 0.000 0.810 358 A CB 0.757 19.866 19.000 0.181 0.000 1.198 358 A HN 1.021 nan 8.150 nan 0.000 0.484 359 R N 2.183 122.721 120.500 0.063 0.000 2.265 359 R HA 0.654 4.994 4.340 -0.000 0.000 0.319 359 R C -0.921 175.403 176.300 0.040 0.000 1.006 359 R CA -0.628 55.499 56.100 0.045 0.000 0.880 359 R CB 0.894 31.209 30.300 0.025 0.000 1.077 359 R HN 0.461 nan 8.270 nan 0.000 0.454 360 L N 2.191 123.431 121.223 0.029 0.000 2.360 360 L HA 0.547 4.887 4.340 -0.000 0.000 0.271 360 L C -0.897 175.969 176.870 -0.006 0.000 1.057 360 L CA -0.320 54.522 54.840 0.004 0.000 0.803 360 L CB 1.516 43.575 42.059 -0.001 0.000 1.207 360 L HN 0.910 nan 8.230 nan 0.000 0.445 361 N N 2.364 121.051 118.700 -0.021 0.000 2.504 361 N HA 0.785 5.525 4.740 -0.000 0.000 0.268 361 N C -2.088 173.404 175.510 -0.030 0.000 1.184 361 N CA 0.159 53.197 53.050 -0.020 0.000 0.875 361 N CB 2.254 40.731 38.487 -0.015 0.000 1.630 361 N HN 0.997 nan 8.380 nan 0.000 0.486 362 A N 1.657 124.461 122.820 -0.026 0.000 2.586 362 A HA 0.544 4.864 4.320 -0.000 0.000 0.290 362 A C -1.817 175.750 177.584 -0.028 0.000 1.086 362 A CA -0.748 51.271 52.037 -0.030 0.000 0.665 362 A CB 1.133 20.113 19.000 -0.034 0.000 1.279 362 A HN 0.587 nan 8.150 nan 0.000 0.423 363 N N 0.729 119.413 118.700 -0.027 0.000 2.446 363 N HA 0.586 5.326 4.740 -0.000 0.000 0.265 363 N C -1.072 174.418 175.510 -0.034 0.000 0.975 363 N CA -0.059 52.977 53.050 -0.025 0.000 0.928 363 N CB 1.429 39.907 38.487 -0.015 0.000 1.160 363 N HN 0.722 nan 8.380 nan 0.000 0.495 364 I N -0.872 119.662 120.570 -0.060 0.000 3.002 364 I HA 0.689 4.859 4.170 -0.000 0.000 0.310 364 I C -0.470 175.574 176.117 -0.121 0.000 1.087 364 I CA -1.045 60.196 61.300 -0.099 0.000 1.017 364 I CB 1.763 39.664 38.000 -0.165 0.000 1.226 364 I HN 0.279 nan 8.210 nan 0.000 0.443 365 R N 2.490 122.916 120.500 -0.123 0.000 2.574 365 R HA 0.534 4.874 4.340 -0.000 0.000 0.288 365 R C -1.814 174.394 176.300 -0.153 0.000 1.004 365 R CA -0.774 55.294 56.100 -0.054 0.000 0.895 365 R CB 0.836 31.211 30.300 0.125 0.000 1.191 365 R HN 0.554 nan 8.270 nan 0.000 0.444 366 Y N 1.072 121.392 120.300 0.033 0.000 2.397 366 Y HA 0.348 4.898 4.550 -0.000 0.000 0.335 366 Y C 0.462 176.266 175.900 -0.161 0.000 1.213 366 Y CA -0.180 57.853 58.100 -0.110 0.000 1.391 366 Y CB 1.398 39.752 38.460 -0.176 0.000 1.293 366 Y HN 0.356 nan 8.280 nan 0.000 0.557 367 V N 4.107 123.869 119.914 -0.252 0.000 2.655 367 V HA 0.324 4.444 4.120 -0.000 0.000 0.301 367 V C -1.221 174.585 176.094 -0.480 0.000 1.082 367 V CA -0.852 61.157 62.300 -0.485 0.000 0.899 367 V CB 1.650 32.878 31.823 -0.992 0.000 1.014 367 V HN 0.865 nan 8.190 nan 0.000 0.429 368 N N 3.625 122.132 118.700 -0.320 0.000 2.514 368 N HA 0.358 5.098 4.740 -0.000 0.000 0.277 368 N C 0.434 175.811 175.510 -0.222 0.000 1.126 368 N CA 0.950 53.840 53.050 -0.266 0.000 0.978 368 N CB 1.950 40.312 38.487 -0.209 0.000 1.106 368 N HN 0.698 nan 8.380 nan 0.000 0.461 369 T N 0.885 115.335 114.554 -0.175 0.000 2.975 369 T HA 0.323 4.673 4.350 -0.000 0.000 0.261 369 T C 0.952 175.590 174.700 -0.104 0.000 0.984 369 T CA 0.383 62.423 62.100 -0.101 0.000 0.911 369 T CB -0.423 68.434 68.868 -0.017 0.000 1.127 369 T HN 0.542 nan 8.240 nan 0.000 0.514 370 G N 1.240 109.936 108.800 -0.173 0.000 2.679 370 G HA2 0.207 4.167 3.960 -0.000 0.000 0.158 370 G HA3 0.207 4.167 3.960 -0.000 0.000 0.158 370 G C 1.076 175.913 174.900 -0.106 0.000 1.702 370 G CA 1.405 46.378 45.100 -0.211 0.000 1.041 370 G HN 0.488 nan 8.290 nan 0.000 0.507 371 T N -3.902 110.604 114.554 -0.079 0.000 3.041 371 T HA 0.633 4.983 4.350 -0.000 0.000 0.276 371 T C 0.348 175.054 174.700 0.011 0.000 0.948 371 T CA 0.791 62.885 62.100 -0.009 0.000 0.885 371 T CB 0.330 69.227 68.868 0.047 0.000 1.175 371 T HN 0.983 nan 8.240 nan 0.000 0.529 372 A N 2.297 125.118 122.820 0.001 0.000 2.384 372 A HA 0.951 5.271 4.320 -0.000 0.000 0.312 372 A C -3.082 174.541 177.584 0.065 0.000 1.113 372 A CA -2.108 49.995 52.037 0.110 0.000 0.779 372 A CB 1.740 20.894 19.000 0.256 0.000 1.307 372 A HN 0.199 nan 8.150 nan 0.000 0.436 373 P HA 0.671 nan 4.420 nan 0.000 0.289 373 P C -1.193 176.285 177.300 0.296 0.000 1.293 373 P CA -0.493 62.703 63.100 0.161 0.000 0.897 373 P CB 1.579 33.375 31.700 0.160 0.000 1.166 374 I N 1.672 122.317 120.570 0.125 0.000 2.404 374 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 374 I C 0.484 176.711 176.117 0.184 0.000 0.992 374 I CA -0.673 60.757 61.300 0.217 0.000 1.149 374 I CB 1.651 39.626 38.000 -0.041 0.000 1.315 374 I HN 0.306 nan 8.210 nan 0.000 0.446 375 Y N 4.363 124.746 120.300 0.139 0.000 2.462 375 Y HA 0.053 4.603 4.550 -0.000 0.000 0.261 375 Y C 1.303 177.246 175.900 0.071 0.000 1.146 375 Y CA -0.154 58.007 58.100 0.102 0.000 1.283 375 Y CB -0.002 38.523 38.460 0.108 0.000 1.090 375 Y HN 0.677 nan 8.280 nan 0.000 0.526 376 N N -2.068 116.738 118.700 0.176 0.000 2.946 376 N HA 0.037 4.777 4.740 -0.000 0.000 0.245 376 N C -0.460 175.057 175.510 0.011 0.000 1.492 376 N CA -0.138 52.968 53.050 0.094 0.000 1.365 376 N CB 0.355 38.906 38.487 0.107 0.000 0.872 376 N HN -0.220 nan 8.380 nan 0.000 0.966 377 V N 2.870 122.796 119.914 0.020 0.000 2.458 377 V HA 0.076 4.196 4.120 -0.000 0.000 0.287 377 V C 0.373 176.400 176.094 -0.112 0.000 1.009 377 V CA -0.031 62.249 62.300 -0.033 0.000 1.091 377 V CB -0.633 31.200 31.823 0.016 0.000 0.960 377 V HN 0.213 nan 8.190 nan 0.000 0.476 378 L N 8.410 129.477 121.223 -0.259 0.000 2.468 378 L HA 0.461 4.801 4.340 -0.000 0.000 0.254 378 L C -1.918 174.740 176.870 -0.353 0.000 1.171 378 L CA -1.468 53.085 54.840 -0.479 0.000 0.809 378 L CB 0.002 41.521 42.059 -0.900 0.000 1.155 378 L HN 0.422 nan 8.230 nan 0.000 0.473 379 P HA 0.157 nan 4.420 nan 0.000 0.274 379 P C -0.931 176.324 177.300 -0.074 0.000 1.237 379 P CA -0.284 62.735 63.100 -0.134 0.000 0.793 379 P CB 0.365 32.015 31.700 -0.083 0.000 0.977 380 T N 0.497 115.063 114.554 0.021 0.000 3.477 380 T HA 0.189 4.539 4.350 -0.000 0.000 0.347 380 T C 0.253 174.997 174.700 0.074 0.000 1.567 380 T CA -0.120 62.006 62.100 0.044 0.000 1.169 380 T CB -0.773 68.118 68.868 0.037 0.000 1.196 380 T HN 0.290 nan 8.240 nan 0.000 0.768 381 T N 2.632 117.255 114.554 0.114 0.000 2.869 381 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 381 T C 0.312 175.055 174.700 0.072 0.000 0.987 381 T CA -0.666 61.499 62.100 0.107 0.000 1.109 381 T CB 0.278 69.233 68.868 0.144 0.000 0.932 381 T HN 0.493 nan 8.240 nan 0.000 0.518 382 S N 5.483 121.215 115.700 0.053 0.000 2.449 382 S HA 0.520 4.990 4.470 -0.000 0.000 0.310 382 S C -0.411 174.206 174.600 0.028 0.000 1.096 382 S CA -1.015 57.207 58.200 0.037 0.000 1.095 382 S CB 1.040 64.260 63.200 0.033 0.000 1.007 382 S HN 0.807 nan 8.310 nan 0.000 0.474 383 L N 4.472 125.707 121.223 0.020 0.000 2.281 383 L HA 0.578 4.918 4.340 -0.000 0.000 0.285 383 L C -1.071 175.806 176.870 0.011 0.000 1.074 383 L CA -0.448 54.399 54.840 0.012 0.000 0.817 383 L CB 0.647 42.709 42.059 0.005 0.000 1.168 383 L HN 0.638 nan 8.230 nan 0.000 0.434 384 V N 5.340 125.260 119.914 0.010 0.000 2.919 384 V HA 0.481 4.601 4.120 -0.000 0.000 0.316 384 V C -0.627 175.469 176.094 0.004 0.000 1.077 384 V CA -0.821 61.483 62.300 0.008 0.000 0.977 384 V CB 2.099 33.927 31.823 0.008 0.000 1.039 384 V HN 0.600 nan 8.190 nan 0.000 0.441 385 L N 3.116 124.342 121.223 0.004 0.000 2.415 385 L HA 0.891 5.231 4.340 -0.000 0.000 0.268 385 L C 0.128 176.997 176.870 -0.002 0.000 0.984 385 L CA 1.303 56.144 54.840 0.001 0.000 0.853 385 L CB 0.538 42.600 42.059 0.005 0.000 1.215 385 L HN 1.112 nan 8.230 nan 0.000 0.419 386 G N 4.516 113.312 108.800 -0.006 0.000 2.545 386 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.240 386 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.240 386 G C 0.387 175.280 174.900 -0.012 0.000 1.172 386 G CA 0.125 45.219 45.100 -0.011 0.000 0.949 386 G HN 0.610 nan 8.290 nan 0.000 0.574 387 K N 1.214 121.606 120.400 -0.014 0.000 2.354 387 K HA 0.214 4.534 4.320 -0.000 0.000 0.194 387 K C 1.268 177.861 176.600 -0.012 0.000 1.038 387 K CA 1.117 57.395 56.287 -0.016 0.000 1.052 387 K CB 0.262 32.749 32.500 -0.022 0.000 0.861 387 K HN 0.594 nan 8.250 nan 0.000 0.535 388 N N -1.616 117.079 118.700 -0.008 0.000 1.839 388 N HA -0.081 4.659 4.740 -0.000 0.000 0.232 388 N C -0.557 174.953 175.510 -0.000 0.000 1.425 388 N CA -0.319 52.727 53.050 -0.006 0.000 0.743 388 N CB -0.034 38.447 38.487 -0.010 0.000 1.044 388 N HN -0.148 nan 8.380 nan 0.000 0.519 389 Q N 2.031 121.832 119.800 0.001 0.000 2.337 389 Q HA 0.118 4.458 4.340 -0.000 0.000 0.255 389 Q C -0.334 175.671 176.000 0.009 0.000 1.205 389 Q CA 0.328 56.136 55.803 0.007 0.000 0.902 389 Q CB 0.009 28.753 28.738 0.010 0.000 1.433 389 Q HN 0.423 nan 8.270 nan 0.000 0.471 390 T N -0.357 114.203 114.554 0.011 0.000 2.814 390 T HA 0.261 4.611 4.350 -0.000 0.000 0.297 390 T C 0.921 175.631 174.700 0.016 0.000 0.956 390 T CA -0.558 61.550 62.100 0.013 0.000 1.123 390 T CB 0.641 69.517 68.868 0.013 0.000 0.902 390 T HN 0.518 nan 8.240 nan 0.000 0.528 391 L N 1.910 123.142 121.223 0.015 0.000 2.477 391 L HA 0.516 4.856 4.340 -0.000 0.000 0.220 391 L C 1.246 178.126 176.870 0.017 0.000 1.106 391 L CA 0.175 55.026 54.840 0.018 0.000 0.851 391 L CB -0.380 41.688 42.059 0.015 0.000 0.994 391 L HN 1.031 nan 8.230 nan 0.000 0.462 392 A N -0.537 122.293 122.820 0.016 0.000 2.441 392 A HA 0.485 4.805 4.320 -0.000 0.000 0.295 392 A C -0.846 176.750 177.584 0.019 0.000 0.992 392 A CA -0.170 51.877 52.037 0.017 0.000 0.603 392 A CB 0.413 19.422 19.000 0.015 0.000 1.385 392 A HN -0.029 nan 8.150 nan 0.000 0.470 393 T N 0.138 114.706 114.554 0.022 0.000 3.038 393 T HA 0.591 4.941 4.350 -0.000 0.000 0.344 393 T C -0.261 174.459 174.700 0.034 0.000 1.054 393 T CA -0.056 62.061 62.100 0.028 0.000 1.092 393 T CB -0.385 68.500 68.868 0.027 0.000 1.031 393 T HN 1.470 nan 8.240 nan 0.000 0.482 394 I N 0.734 121.329 120.570 0.042 0.000 2.416 394 I HA 0.557 4.727 4.170 -0.000 0.000 0.288 394 I C 0.188 176.356 176.117 0.084 0.000 1.051 394 I CA -0.483 60.851 61.300 0.057 0.000 1.375 394 I CB 0.884 38.914 38.000 0.050 0.000 1.407 394 I HN 0.661 nan 8.210 nan 0.000 0.516 395 K N 5.752 126.192 120.400 0.067 0.000 3.200 395 K HA 0.485 4.805 4.320 -0.000 0.000 0.179 395 K C -0.446 176.167 176.600 0.023 0.000 1.153 395 K CA -0.425 55.889 56.287 0.044 0.000 0.836 395 K CB 0.939 33.455 32.500 0.026 0.000 1.051 395 K HN 0.903 nan 8.250 nan 0.000 0.594 396 A N 2.634 125.476 122.820 0.037 0.000 2.613 396 A HA -0.000 4.320 4.320 -0.000 0.000 0.230 396 A C -0.208 177.364 177.584 -0.019 0.000 1.051 396 A CA 0.441 52.487 52.037 0.015 0.000 0.754 396 A CB -0.010 19.005 19.000 0.026 0.000 0.979 396 A HN 0.645 nan 8.150 nan 0.000 0.510 397 K N 1.244 121.641 120.400 -0.005 0.000 2.611 397 K HA 0.056 4.376 4.320 -0.000 0.000 0.280 397 K C 0.062 176.649 176.600 -0.022 0.000 0.964 397 K CA 0.830 57.113 56.287 -0.007 0.000 1.029 397 K CB 0.162 32.665 32.500 0.005 0.000 0.862 397 K HN 0.707 nan 8.250 nan 0.000 0.501 398 E N 2.007 122.199 120.200 -0.013 0.000 2.319 398 E HA 0.182 4.532 4.350 -0.000 0.000 0.268 398 E C 0.211 176.812 176.600 0.001 0.000 1.050 398 E CA -0.173 56.219 56.400 -0.013 0.000 0.878 398 E CB 0.537 30.236 29.700 -0.002 0.000 1.066 398 E HN 0.553 nan 8.360 nan 0.000 0.406 399 N N 1.106 119.811 118.700 0.008 0.000 2.932 399 N HA -0.345 4.395 4.740 -0.000 0.000 0.227 399 N C 1.239 176.764 175.510 0.025 0.000 0.854 399 N CA 1.606 54.670 53.050 0.023 0.000 1.064 399 N CB -0.620 37.881 38.487 0.023 0.000 1.029 399 N HN 0.668 nan 8.380 nan 0.000 0.619 400 Q N 0.828 120.638 119.800 0.017 0.000 2.197 400 Q HA -0.139 4.201 4.340 -0.000 0.000 0.207 400 Q C 0.556 176.580 176.000 0.040 0.000 0.984 400 Q CA 1.431 57.248 55.803 0.024 0.000 0.869 400 Q CB 0.049 28.797 28.738 0.017 0.000 0.906 400 Q HN 0.563 nan 8.270 nan 0.000 0.426 401 L N -3.036 118.212 121.223 0.042 0.000 2.334 401 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 401 L C 0.019 176.935 176.870 0.077 0.000 1.013 401 L CA -0.252 54.635 54.840 0.078 0.000 0.816 401 L CB 2.257 44.386 42.059 0.118 0.000 1.278 401 L HN -0.249 nan 8.230 nan 0.000 0.431 402 S N -0.460 115.291 115.700 0.085 0.000 2.603 402 S HA 0.235 4.705 4.470 -0.000 0.000 0.232 402 S C 0.418 175.061 174.600 0.071 0.000 1.016 402 S CA -0.227 58.022 58.200 0.081 0.000 0.976 402 S CB -0.034 63.208 63.200 0.070 0.000 0.921 402 S HN 0.795 nan 8.310 nan 0.000 0.516 403 Q N 1.022 120.872 119.800 0.084 0.000 2.524 403 Q HA 0.328 4.668 4.340 -0.000 0.000 0.246 403 Q C -0.585 175.419 176.000 0.007 0.000 1.063 403 Q CA 0.542 56.369 55.803 0.040 0.000 0.945 403 Q CB 0.236 29.001 28.738 0.044 0.000 1.292 403 Q HN 0.199 nan 8.270 nan 0.000 0.518 404 I N 0.921 121.434 120.570 -0.094 0.000 2.441 404 I HA 0.174 4.344 4.170 -0.000 0.000 0.295 404 I C -0.717 175.330 176.117 -0.117 0.000 0.994 404 I CA -0.551 60.614 61.300 -0.225 0.000 1.144 404 I CB 1.375 39.112 38.000 -0.440 0.000 1.314 404 I HN 0.399 nan 8.210 nan 0.000 0.445 405 L N 6.789 127.952 121.223 -0.100 0.000 2.512 405 L HA 0.639 4.979 4.340 -0.000 0.000 0.247 405 L C 0.594 177.407 176.870 -0.095 0.000 1.204 405 L CA -0.179 54.633 54.840 -0.047 0.000 1.153 405 L CB -0.914 41.101 42.059 -0.074 0.000 1.415 405 L HN 0.729 nan 8.230 nan 0.000 0.406 406 A N 3.948 126.713 122.820 -0.092 0.000 2.366 406 A HA 0.523 4.843 4.320 -0.000 0.000 0.250 406 A C -2.248 175.301 177.584 -0.059 0.000 1.099 406 A CA -0.846 51.151 52.037 -0.067 0.000 0.794 406 A CB -0.533 18.434 19.000 -0.054 0.000 1.056 406 A HN 0.526 nan 8.150 nan 0.000 0.499 407 P HA 0.016 nan 4.420 nan 0.000 0.271 407 P C -0.362 176.917 177.300 -0.035 0.000 1.233 407 P CA -0.178 62.893 63.100 -0.049 0.000 0.789 407 P CB 0.163 31.847 31.700 -0.026 0.000 0.951 408 N N 0.893 119.569 118.700 -0.039 0.000 2.759 408 N HA -0.261 4.479 4.740 -0.000 0.000 0.277 408 N C -0.458 175.071 175.510 0.031 0.000 0.982 408 N CA 1.160 54.206 53.050 -0.006 0.000 0.833 408 N CB -1.441 37.064 38.487 0.029 0.000 0.927 408 N HN 0.477 nan 8.380 nan 0.000 0.573 409 N N 0.573 119.275 118.700 0.004 0.000 2.697 409 N HA 0.119 4.859 4.740 -0.000 0.000 0.271 409 N C -1.386 174.162 175.510 0.065 0.000 1.149 409 N CA -0.462 52.636 53.050 0.080 0.000 0.939 409 N CB 0.461 38.962 38.487 0.022 0.000 1.534 409 N HN 0.017 nan 8.380 nan 0.000 0.556 410 Y N 2.917 123.190 120.300 -0.045 0.000 2.717 410 Y HA -0.019 4.531 4.550 -0.000 0.000 0.330 410 Y C 1.631 177.519 175.900 -0.019 0.000 1.217 410 Y CA 0.219 58.300 58.100 -0.032 0.000 1.506 410 Y CB 0.108 38.547 38.460 -0.035 0.000 1.268 410 Y HN 0.587 nan 8.280 nan 0.000 0.561 411 Y N 5.981 126.310 120.300 0.048 0.000 1.974 411 Y HA -0.152 4.398 4.550 -0.000 0.000 0.255 411 Y C -1.106 174.829 175.900 0.059 0.000 1.125 411 Y CA 0.861 58.987 58.100 0.044 0.000 1.085 411 Y CB -1.518 37.009 38.460 0.111 0.000 0.957 411 Y HN 0.412 nan 8.280 nan 0.000 0.484 412 P HA 0.026 nan 4.420 nan 0.000 0.259 412 P C -0.687 176.508 177.300 -0.176 0.000 1.635 412 P CA 0.406 63.286 63.100 -0.368 0.000 1.199 412 P CB -0.174 31.529 31.700 0.005 0.000 1.850 413 S N 4.048 119.615 115.700 -0.221 0.000 4.273 413 S HA -0.151 4.319 4.470 -0.000 0.000 0.512 413 S C 1.650 176.198 174.600 -0.086 0.000 1.063 413 S CA 0.158 58.288 58.200 -0.116 0.000 0.904 413 S CB -0.009 63.117 63.200 -0.123 0.000 0.778 413 S HN 0.408 nan 8.310 nan 0.000 0.467 414 K N 2.784 123.133 120.400 -0.084 0.000 2.304 414 K HA -0.225 4.095 4.320 -0.000 0.000 0.204 414 K C 1.112 177.652 176.600 -0.100 0.000 1.044 414 K CA 1.855 58.062 56.287 -0.134 0.000 0.932 414 K CB -0.586 31.790 32.500 -0.207 0.000 0.735 414 K HN 0.930 nan 8.250 nan 0.000 0.468 415 N N -0.065 118.586 118.700 -0.081 0.000 2.378 415 N HA 0.125 4.865 4.740 -0.000 0.000 0.243 415 N C 0.216 175.690 175.510 -0.060 0.000 1.137 415 N CA -0.076 52.934 53.050 -0.066 0.000 0.862 415 N CB 0.143 38.596 38.487 -0.057 0.000 1.116 415 N HN -0.002 nan 8.380 nan 0.000 0.499 416 L N -1.716 119.468 121.223 -0.064 0.000 2.218 416 L HA 0.763 5.103 4.340 -0.000 0.000 0.243 416 L C -0.704 176.142 176.870 -0.041 0.000 1.132 416 L CA -1.891 52.916 54.840 -0.055 0.000 1.052 416 L CB 0.893 42.907 42.059 -0.075 0.000 1.599 416 L HN 0.035 nan 8.230 nan 0.000 0.468 417 A N 0.708 123.510 122.820 -0.029 0.000 2.260 417 A HA 0.654 4.974 4.320 -0.000 0.000 0.312 417 A C -2.451 175.135 177.584 0.003 0.000 1.321 417 A CA -1.256 50.773 52.037 -0.012 0.000 0.928 417 A CB -0.333 18.665 19.000 -0.004 0.000 1.158 417 A HN 0.289 nan 8.150 nan 0.000 0.542 418 P HA 0.065 nan 4.420 nan 0.000 0.264 418 P C 0.052 177.371 177.300 0.033 0.000 1.193 418 P CA 0.124 63.237 63.100 0.022 0.000 0.763 418 P CB 0.354 32.056 31.700 0.005 0.000 0.810 419 I N 1.825 122.432 120.570 0.062 0.000 2.872 419 I HA 0.086 4.256 4.170 -0.000 0.000 0.291 419 I C 0.580 176.703 176.117 0.009 0.000 1.216 419 I CA 0.407 61.741 61.300 0.057 0.000 1.424 419 I CB 0.427 38.474 38.000 0.079 0.000 1.351 419 I HN 0.362 nan 8.210 nan 0.000 0.592 420 A N 7.675 130.501 122.820 0.011 0.000 2.318 420 A HA 0.602 4.922 4.320 -0.000 0.000 0.317 420 A C -0.392 177.189 177.584 -0.004 0.000 1.159 420 A CA -0.677 51.358 52.037 -0.003 0.000 0.799 420 A CB 0.850 19.851 19.000 0.001 0.000 1.194 420 A HN 0.645 nan 8.150 nan 0.000 0.479 421 L N 1.530 122.745 121.223 -0.015 0.000 2.483 421 L HA 0.003 4.343 4.340 -0.000 0.000 0.277 421 L C 0.492 177.362 176.870 -0.000 0.000 1.248 421 L CA -0.464 54.370 54.840 -0.010 0.000 0.825 421 L CB 0.091 42.140 42.059 -0.016 0.000 1.096 421 L HN 0.744 nan 8.230 nan 0.000 0.512 422 N N 2.020 120.723 118.700 0.005 0.000 3.054 422 N HA -0.195 4.545 4.740 -0.000 0.000 0.305 422 N C 0.110 175.624 175.510 0.006 0.000 1.084 422 N CA 1.053 54.108 53.050 0.008 0.000 0.842 422 N CB -0.170 38.322 38.487 0.008 0.000 0.953 422 N HN 0.718 nan 8.380 nan 0.000 0.625 423 A N 0.794 123.619 122.820 0.008 0.000 2.502 423 A HA 0.181 4.501 4.320 -0.000 0.000 0.253 423 A C 0.202 177.792 177.584 0.010 0.000 0.938 423 A CA -0.213 51.828 52.037 0.007 0.000 1.086 423 A CB 0.650 19.652 19.000 0.003 0.000 1.176 423 A HN 0.445 nan 8.150 nan 0.000 0.499 429 S N -0.817 114.889 115.700 0.011 0.000 2.684 429 S HA 0.317 4.787 4.470 -0.000 0.000 0.268 429 S C 0.239 174.845 174.600 0.010 0.000 1.075 429 S CA 0.495 58.701 58.200 0.009 0.000 1.184 429 S CB 0.241 63.446 63.200 0.009 0.000 1.129 429 S HN 1.851 nan 8.310 nan 0.000 0.630 430 T N 1.147 115.707 114.554 0.011 0.000 3.009 430 T HA 0.683 5.033 4.350 -0.000 0.000 0.346 430 T C -2.711 171.996 174.700 0.013 0.000 1.092 430 T CA -1.302 60.805 62.100 0.012 0.000 1.080 430 T CB 1.390 70.265 68.868 0.012 0.000 1.037 430 T HN -0.050 nan 8.240 nan 0.000 0.487 431 P HA 0.394 nan 4.420 nan 0.000 0.330 431 P C -0.387 176.922 177.300 0.016 0.000 1.377 431 P CA -0.557 62.551 63.100 0.013 0.000 0.793 431 P CB 0.402 32.109 31.700 0.013 0.000 1.813 432 I N -0.712 119.869 120.570 0.018 0.000 2.390 432 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 432 I C -0.241 175.895 176.117 0.031 0.000 1.016 432 I CA -0.477 60.837 61.300 0.022 0.000 1.151 432 I CB 1.131 39.142 38.000 0.018 0.000 1.293 432 I HN 0.025 nan 8.210 nan 0.000 0.458 433 T N 7.322 121.896 114.554 0.033 0.000 2.884 433 T HA 0.471 4.821 4.350 -0.000 0.000 0.298 433 T C -0.250 174.484 174.700 0.057 0.000 0.998 433 T CA -0.082 62.043 62.100 0.042 0.000 1.124 433 T CB 0.871 69.760 68.868 0.035 0.000 0.931 433 T HN 0.551 nan 8.240 nan 0.000 0.531 434 M N 4.283 123.930 119.600 0.078 0.000 2.221 434 M HA 0.285 4.765 4.480 -0.000 0.000 0.259 434 M C -1.025 175.355 176.300 0.135 0.000 1.001 434 M CA -0.833 54.534 55.300 0.111 0.000 1.009 434 M CB 1.117 33.804 32.600 0.145 0.000 1.939 434 M HN 0.718 nan 8.290 nan 0.000 0.477 435 N N 2.517 121.292 118.700 0.126 0.000 2.408 435 N HA 0.127 4.867 4.740 -0.000 0.000 0.260 435 N C 0.473 176.108 175.510 0.209 0.000 1.242 435 N CA -0.300 52.835 53.050 0.142 0.000 0.959 435 N CB 0.365 38.921 38.487 0.114 0.000 1.201 435 N HN 0.600 nan 8.380 nan 0.000 0.511 436 Y N 0.637 120.974 120.300 0.061 0.000 2.102 436 Y HA -0.304 4.246 4.550 -0.000 0.000 0.280 436 Y C 1.439 177.424 175.900 0.142 0.000 1.178 436 Y CA 2.200 60.345 58.100 0.074 0.000 1.146 436 Y CB -0.664 37.809 38.460 0.022 0.000 0.968 436 Y HN 0.703 nan 8.280 nan 0.000 0.504 437 N N -0.729 118.058 118.700 0.146 0.000 2.104 437 N HA -0.232 4.508 4.740 -0.000 0.000 0.190 437 N C 1.757 177.291 175.510 0.040 0.000 1.024 437 N CA 1.343 54.425 53.050 0.053 0.000 0.853 437 N CB -0.219 38.317 38.487 0.082 0.000 1.008 437 N HN 0.569 nan 8.380 nan 0.000 0.424 438 Q N 0.469 120.322 119.800 0.087 0.000 1.990 438 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 438 Q C 1.858 177.924 176.000 0.110 0.000 0.980 438 Q CA 1.125 56.978 55.803 0.083 0.000 0.832 438 Q CB -0.363 28.432 28.738 0.094 0.000 0.897 438 Q HN 0.334 nan 8.270 nan 0.000 0.427 439 F N 1.537 121.491 119.950 0.007 0.000 2.225 439 F HA -0.260 4.267 4.527 -0.000 0.000 0.302 439 F C 1.816 177.628 175.800 0.019 0.000 1.068 439 F CA 0.895 58.916 58.000 0.035 0.000 1.327 439 F CB -0.085 38.942 39.000 0.045 0.000 1.043 439 F HN 0.058 nan 8.300 nan 0.000 0.506 440 L N 0.624 121.924 121.223 0.127 0.000 2.023 440 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 440 L C 2.297 179.140 176.870 -0.045 0.000 1.073 440 L CA 1.898 56.730 54.840 -0.014 0.000 0.745 440 L CB -1.111 40.857 42.059 -0.152 0.000 0.900 440 L HN 0.162 nan 8.230 nan 0.000 0.435 441 E N -0.610 119.571 120.200 -0.031 0.000 2.049 441 E HA -0.302 4.048 4.350 -0.000 0.000 0.198 441 E C 2.144 178.718 176.600 -0.043 0.000 1.007 441 E CA 1.615 57.992 56.400 -0.037 0.000 0.809 441 E CB -0.481 29.209 29.700 -0.017 0.000 0.749 441 E HN 0.375 nan 8.360 nan 0.000 0.450 442 L N 1.778 122.985 121.223 -0.027 0.000 2.034 442 L HA -0.296 4.044 4.340 -0.000 0.000 0.217 442 L C 2.255 179.155 176.870 0.050 0.000 1.077 442 L CA 2.184 57.030 54.840 0.010 0.000 0.769 442 L CB -0.514 41.523 42.059 -0.036 0.000 0.890 442 L HN 0.146 nan 8.230 nan 0.000 0.435 443 E N -0.724 119.452 120.200 -0.039 0.000 2.106 443 E HA -0.289 4.061 4.350 -0.000 0.000 0.192 443 E C 2.250 178.643 176.600 -0.345 0.000 0.984 443 E CA 1.187 57.309 56.400 -0.463 0.000 0.806 443 E CB -0.192 29.161 29.700 -0.579 0.000 0.750 443 E HN 0.535 nan 8.360 nan 0.000 0.458 444 K N -0.226 120.056 120.400 -0.196 0.000 2.280 444 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 444 K C 1.644 178.163 176.600 -0.135 0.000 1.047 444 K CA 1.750 57.942 56.287 -0.159 0.000 0.942 444 K CB 0.075 32.511 32.500 -0.107 0.000 0.739 444 K HN 0.278 nan 8.250 nan 0.000 0.457 445 T N -4.051 110.441 114.554 -0.103 0.000 2.966 445 T HA 0.180 4.530 4.350 -0.000 0.000 0.254 445 T C 0.164 174.836 174.700 -0.047 0.000 0.961 445 T CA -0.341 61.715 62.100 -0.075 0.000 0.915 445 T CB 0.153 68.992 68.868 -0.049 0.000 1.186 445 T HN 0.150 nan 8.240 nan 0.000 0.505 446 K N 1.880 122.275 120.400 -0.009 0.000 3.035 446 K HA -0.207 4.113 4.320 -0.000 0.000 0.262 446 K C -0.300 176.339 176.600 0.066 0.000 1.024 446 K CA 1.057 57.400 56.287 0.093 0.000 0.748 446 K CB -1.675 30.878 32.500 0.087 0.000 1.247 446 K HN 0.910 nan 8.250 nan 0.000 0.482 447 Q N -0.444 119.375 119.800 0.032 0.000 2.340 447 Q HA 0.696 5.036 4.340 -0.000 0.000 0.276 447 Q C -1.124 174.880 176.000 0.007 0.000 1.048 447 Q CA -1.182 54.630 55.803 0.015 0.000 0.832 447 Q CB 1.693 30.429 28.738 -0.003 0.000 1.373 447 Q HN 0.132 nan 8.270 nan 0.000 0.409 448 L N 1.123 122.349 121.223 0.005 0.000 2.279 448 L HA 0.742 5.082 4.340 -0.000 0.000 0.262 448 L C -0.342 176.527 176.870 -0.001 0.000 1.019 448 L CA -1.168 53.672 54.840 0.000 0.000 0.823 448 L CB 2.245 44.303 42.059 -0.002 0.000 1.358 448 L HN 0.692 nan 8.230 nan 0.000 0.432 449 R N 0.761 121.261 120.500 -0.000 0.000 2.740 449 R HA 0.730 5.070 4.340 -0.000 0.000 0.282 449 R C -1.757 174.547 176.300 0.007 0.000 0.969 449 R CA -0.650 55.451 56.100 0.001 0.000 0.918 449 R CB 1.673 31.974 30.300 0.001 0.000 1.175 449 R HN 0.549 nan 8.270 nan 0.000 0.464 450 L N 3.568 124.798 121.223 0.011 0.000 2.377 450 L HA 0.386 4.726 4.340 -0.000 0.000 0.270 450 L C -1.296 175.594 176.870 0.034 0.000 0.991 450 L CA -0.815 54.038 54.840 0.022 0.000 0.851 450 L CB 1.984 44.057 42.059 0.023 0.000 1.218 450 L HN 0.589 nan 8.230 nan 0.000 0.420 451 D N 1.389 121.812 120.400 0.038 0.000 2.168 451 D HA 0.566 5.206 4.640 -0.000 0.000 0.246 451 D C -0.438 175.901 176.300 0.065 0.000 1.050 451 D CA 0.090 54.119 54.000 0.048 0.000 0.857 451 D CB 2.097 42.920 40.800 0.038 0.000 1.169 451 D HN 0.275 nan 8.370 nan 0.000 0.453 452 T N 1.144 115.746 114.554 0.080 0.000 2.861 452 T HA 0.370 4.720 4.350 -0.000 0.000 0.287 452 T C -0.319 174.443 174.700 0.103 0.000 1.003 452 T CA -1.002 61.158 62.100 0.100 0.000 0.977 452 T CB 1.373 70.314 68.868 0.121 0.000 0.996 452 T HN 0.375 nan 8.240 nan 0.000 0.448 453 D N 1.697 122.158 120.400 0.103 0.000 2.289 453 D HA 0.075 4.715 4.640 -0.000 0.000 0.266 453 D C 0.630 177.016 176.300 0.143 0.000 1.243 453 D CA -0.163 53.894 54.000 0.095 0.000 1.019 453 D CB 0.590 41.436 40.800 0.076 0.000 1.126 453 D HN 0.525 nan 8.370 nan 0.000 0.541 454 Q N -1.442 118.396 119.800 0.064 0.000 2.140 454 Q HA 0.197 4.537 4.340 -0.000 0.000 0.227 454 Q C -0.234 175.594 176.000 -0.287 0.000 0.798 454 Q CA -0.256 55.464 55.803 -0.137 0.000 0.987 454 Q CB 1.546 30.138 28.738 -0.244 0.000 1.161 454 Q HN 0.318 nan 8.270 nan 0.000 0.480 455 V N 2.188 122.128 119.914 0.043 0.000 2.400 455 V HA 0.068 4.188 4.120 -0.000 0.000 0.263 455 V C -0.860 175.442 176.094 0.347 0.000 1.026 455 V CA 0.389 62.748 62.300 0.099 0.000 1.077 455 V CB -0.685 31.189 31.823 0.085 0.000 1.054 455 V HN 0.142 nan 8.190 nan 0.000 0.477 456 Y N 4.523 124.869 120.300 0.076 0.000 2.496 456 Y HA 0.619 5.169 4.550 -0.000 0.000 0.331 456 Y C 1.285 177.297 175.900 0.186 0.000 1.140 456 Y CA -1.020 57.128 58.100 0.079 0.000 1.166 456 Y CB 1.545 40.009 38.460 0.007 0.000 1.249 456 Y HN 0.669 nan 8.280 nan 0.000 0.479 457 G N 0.981 109.978 108.800 0.328 0.000 2.744 457 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.257 457 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.257 457 G C -0.341 174.741 174.900 0.304 0.000 1.244 457 G CA -0.578 44.672 45.100 0.250 0.000 0.916 457 G HN 0.778 nan 8.290 nan 0.000 0.564 458 N N -1.540 117.255 118.700 0.158 0.000 2.235 458 N HA 0.159 4.899 4.740 -0.000 0.000 0.231 458 N C -0.001 175.524 175.510 0.025 0.000 1.330 458 N CA -0.063 53.013 53.050 0.043 0.000 0.898 458 N CB 0.560 39.039 38.487 -0.014 0.000 1.151 458 N HN 0.281 nan 8.380 nan 0.000 0.472 459 I N 0.101 120.552 120.570 -0.198 0.000 2.607 459 I HA 0.376 4.546 4.170 -0.000 0.000 0.305 459 I C -0.101 175.868 176.117 -0.247 0.000 0.995 459 I CA -0.938 60.202 61.300 -0.267 0.000 1.148 459 I CB 1.659 39.238 38.000 -0.701 0.000 1.323 459 I HN 0.443 nan 8.210 nan 0.000 0.461 460 A N 3.640 126.314 122.820 -0.244 0.000 2.252 460 A HA 0.589 4.909 4.320 -0.000 0.000 0.309 460 A C -0.168 177.322 177.584 -0.158 0.000 1.285 460 A CA -0.238 51.599 52.037 -0.333 0.000 0.900 460 A CB 0.744 19.306 19.000 -0.730 0.000 1.157 460 A HN 0.716 nan 8.150 nan 0.000 0.536 461 T N 1.072 115.545 114.554 -0.135 0.000 2.927 461 T HA 0.546 4.896 4.350 -0.000 0.000 0.286 461 T C -0.283 174.463 174.700 0.077 0.000 1.040 461 T CA -0.309 61.760 62.100 -0.053 0.000 1.010 461 T CB 0.545 69.341 68.868 -0.121 0.000 1.177 461 T HN 0.496 nan 8.240 nan 0.000 0.546 462 Y N 1.649 121.948 120.300 -0.002 0.000 2.262 462 Y HA 0.493 5.043 4.550 -0.000 0.000 0.368 462 Y C 0.524 176.443 175.900 0.032 0.000 1.352 462 Y CA -0.431 57.687 58.100 0.029 0.000 1.760 462 Y CB 0.543 39.029 38.460 0.042 0.000 1.627 462 Y HN 0.755 nan 8.280 nan 0.000 0.606 463 N N 1.238 119.607 118.700 -0.551 0.000 3.304 463 N HA 0.026 4.766 4.740 -0.000 0.000 0.187 463 N C 0.168 175.585 175.510 -0.155 0.000 1.482 463 N CA -0.014 52.911 53.050 -0.209 0.000 0.785 463 N CB -0.717 37.697 38.487 -0.121 0.000 1.619 463 N HN 0.588 nan 8.380 nan 0.000 0.624 464 F N 0.046 119.825 119.950 -0.286 0.000 2.079 464 F HA -0.338 4.189 4.527 -0.000 0.000 0.296 464 F C 1.551 177.296 175.800 -0.092 0.000 1.084 464 F CA 1.017 58.974 58.000 -0.072 0.000 1.236 464 F CB -0.363 38.720 39.000 0.137 0.000 0.984 464 F HN 0.247 nan 8.300 nan 0.000 0.488 465 E N 2.146 122.248 120.200 -0.163 0.000 2.110 465 E HA -0.289 4.061 4.350 -0.000 0.000 0.225 465 E C 1.177 177.688 176.600 -0.149 0.000 1.063 465 E CA 2.364 58.573 56.400 -0.319 0.000 0.906 465 E CB -0.868 28.694 29.700 -0.231 0.000 0.795 465 E HN 0.775 nan 8.360 nan 0.000 0.479 466 N N -1.404 117.232 118.700 -0.107 0.000 2.351 466 N HA 0.227 4.967 4.740 -0.000 0.000 0.254 466 N C 0.235 175.687 175.510 -0.096 0.000 1.241 466 N CA 0.531 53.532 53.050 -0.082 0.000 0.883 466 N CB 0.710 39.159 38.487 -0.064 0.000 1.202 466 N HN 0.173 nan 8.380 nan 0.000 0.512 467 G N 1.009 109.706 108.800 -0.171 0.000 2.357 467 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.282 467 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.282 467 G C -0.286 174.497 174.900 -0.195 0.000 0.910 467 G CA 0.443 45.380 45.100 -0.272 0.000 1.267 467 G HN 0.712 nan 8.290 nan 0.000 0.476 468 R N -0.484 119.859 120.500 -0.261 0.000 2.803 468 R HA 0.616 4.956 4.340 -0.000 0.000 0.276 468 R C -0.418 175.835 176.300 -0.078 0.000 0.978 468 R CA -0.921 55.116 56.100 -0.105 0.000 0.939 468 R CB 1.702 31.959 30.300 -0.070 0.000 1.179 468 R HN 0.103 nan 8.270 nan 0.000 0.472 469 V N 4.448 124.370 119.914 0.013 0.000 2.334 469 V HA 0.380 4.500 4.120 -0.000 0.000 0.267 469 V C 0.187 176.267 176.094 -0.024 0.000 1.040 469 V CA -0.330 61.992 62.300 0.038 0.000 0.866 469 V CB 0.838 32.715 31.823 0.089 0.000 1.019 469 V HN 0.661 nan 8.190 nan 0.000 0.468 470 R N 3.562 124.028 120.500 -0.057 0.000 2.832 470 R HA 0.744 5.084 4.340 -0.000 0.000 0.271 470 R C -1.383 174.832 176.300 -0.142 0.000 0.996 470 R CA -0.662 55.388 56.100 -0.083 0.000 0.977 470 R CB 2.194 32.456 30.300 -0.064 0.000 1.168 470 R HN 0.434 nan 8.270 nan 0.000 0.482 471 V N 3.063 122.894 119.914 -0.139 0.000 2.288 471 V HA 0.113 4.233 4.120 -0.000 0.000 0.266 471 V C -0.470 175.556 176.094 -0.113 0.000 1.048 471 V CA -0.643 61.560 62.300 -0.163 0.000 0.842 471 V CB 0.707 32.455 31.823 -0.126 0.000 1.064 471 V HN 0.730 nan 8.190 nan 0.000 0.472 472 D N 3.676 123.995 120.400 -0.135 0.000 2.338 472 D HA 0.082 4.722 4.640 -0.000 0.000 0.255 472 D C 1.622 177.858 176.300 -0.107 0.000 1.237 472 D CA 0.329 54.258 54.000 -0.119 0.000 0.883 472 D CB 1.512 42.225 40.800 -0.146 0.000 1.087 472 D HN 0.671 nan 8.370 nan 0.000 0.485 473 T N 0.362 114.870 114.554 -0.076 0.000 3.025 473 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 473 T C 1.746 176.404 174.700 -0.070 0.000 1.126 473 T CA 0.564 62.629 62.100 -0.058 0.000 1.105 473 T CB -0.127 68.717 68.868 -0.039 0.000 0.884 473 T HN 0.375 nan 8.240 nan 0.000 0.522 474 G N 0.188 108.933 108.800 -0.091 0.000 2.777 474 G HA2 0.284 4.244 3.960 -0.000 0.000 0.211 474 G HA3 0.284 4.244 3.960 -0.000 0.000 0.211 474 G C 0.333 175.157 174.900 -0.127 0.000 1.149 474 G CA -0.305 44.735 45.100 -0.099 0.000 0.785 474 G HN 0.523 nan 8.290 nan 0.000 0.536 475 S N 0.654 116.258 115.700 -0.159 0.000 2.733 475 S HA 0.393 4.863 4.470 -0.000 0.000 0.307 475 S C -1.057 173.397 174.600 -0.243 0.000 1.127 475 S CA -0.830 57.242 58.200 -0.213 0.000 1.097 475 S CB 1.425 64.457 63.200 -0.280 0.000 1.003 475 S HN 0.304 nan 8.310 nan 0.000 0.477 476 N N 1.491 120.080 118.700 -0.185 0.000 2.321 476 N HA 0.241 4.981 4.740 -0.000 0.000 0.299 476 N C 0.463 175.903 175.510 -0.116 0.000 1.048 476 N CA -0.732 52.236 53.050 -0.136 0.000 0.836 476 N CB 0.877 39.355 38.487 -0.014 0.000 1.269 476 N HN 0.572 nan 8.380 nan 0.000 0.486 477 W N 1.930 123.235 121.300 0.009 0.000 2.290 477 W HA -0.192 4.468 4.660 -0.000 0.000 0.311 477 W C 2.252 178.744 176.519 -0.045 0.000 1.238 477 W CA 0.972 58.313 57.345 -0.007 0.000 1.255 477 W CB -0.666 28.786 29.460 -0.013 0.000 1.145 477 W HN 0.521 nan 8.180 nan 0.000 0.506 478 S N -0.055 115.739 115.700 0.157 0.000 2.461 478 S HA -0.240 4.230 4.470 -0.000 0.000 0.246 478 S C 1.380 176.003 174.600 0.038 0.000 1.007 478 S CA 1.798 60.036 58.200 0.063 0.000 0.976 478 S CB -0.334 62.891 63.200 0.042 0.000 0.763 478 S HN 0.482 nan 8.310 nan 0.000 0.508 479 E N -0.010 120.203 120.200 0.022 0.000 2.094 479 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 479 E C 0.106 176.707 176.600 0.002 0.000 0.950 479 E CA 0.488 56.883 56.400 -0.008 0.000 0.842 479 E CB 0.247 29.919 29.700 -0.047 0.000 0.816 479 E HN 0.161 nan 8.360 nan 0.000 0.465 480 V N 2.723 122.634 119.914 -0.006 0.000 2.154 480 V HA 0.179 4.299 4.120 -0.000 0.000 0.265 480 V C 0.332 176.511 176.094 0.141 0.000 1.293 480 V CA 0.268 62.577 62.300 0.015 0.000 1.205 480 V CB 0.519 32.299 31.823 -0.072 0.000 1.306 480 V HN 0.242 nan 8.190 nan 0.000 0.479 481 L N 2.353 123.665 121.223 0.148 0.000 2.481 481 L HA 0.260 4.600 4.340 -0.000 0.000 0.253 481 L C -1.276 175.658 176.870 0.107 0.000 1.071 481 L CA 0.427 55.394 54.840 0.210 0.000 1.189 481 L CB 0.891 43.099 42.059 0.249 0.000 2.356 481 L HN 0.353 nan 8.230 nan 0.000 0.545 482 P HA -0.151 nan 4.420 nan 0.000 0.215 482 P C 0.971 178.288 177.300 0.030 0.000 1.153 482 P CA 1.268 64.394 63.100 0.044 0.000 0.853 482 P CB 0.051 31.770 31.700 0.032 0.000 0.788 483 Q N -0.488 119.329 119.800 0.029 0.000 2.062 483 Q HA -0.198 4.142 4.340 -0.000 0.000 0.209 483 Q C 2.149 178.150 176.000 0.001 0.000 0.996 483 Q CA 1.562 57.375 55.803 0.017 0.000 0.859 483 Q CB -1.616 27.136 28.738 0.023 0.000 0.920 483 Q HN 0.283 nan 8.270 nan 0.000 0.415 484 I N 1.405 121.970 120.570 -0.009 0.000 2.113 484 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 484 I C 2.367 178.427 176.117 -0.094 0.000 1.064 484 I CA 1.687 62.937 61.300 -0.082 0.000 1.320 484 I CB -0.715 37.173 38.000 -0.187 0.000 1.028 484 I HN 0.299 nan 8.210 nan 0.000 0.406 485 Q N -0.234 119.534 119.800 -0.054 0.000 2.369 485 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 485 Q C 1.313 177.315 176.000 0.003 0.000 0.963 485 Q CA 0.743 56.537 55.803 -0.016 0.000 0.894 485 Q CB -0.045 28.713 28.738 0.034 0.000 0.965 485 Q HN 0.518 nan 8.270 nan 0.000 0.475 486 E N 0.221 120.421 120.200 0.000 0.000 2.481 486 E HA 0.013 4.363 4.350 -0.000 0.000 0.198 486 E C 0.580 177.180 176.600 -0.000 0.000 1.027 486 E CA 0.534 56.938 56.400 0.006 0.000 0.900 486 E CB 1.065 30.770 29.700 0.009 0.000 0.993 486 E HN 0.310 nan 8.360 nan 0.000 0.482 487 T N -1.735 112.813 114.554 -0.010 0.000 3.967 487 T HA 0.235 4.585 4.350 -0.000 0.000 0.262 487 T C 0.033 174.720 174.700 -0.022 0.000 0.966 487 T CA -0.344 61.750 62.100 -0.010 0.000 1.169 487 T CB -0.169 68.697 68.868 -0.003 0.000 1.038 487 T HN 0.009 nan 8.240 nan 0.000 0.541 488 T N -1.638 112.899 114.554 -0.027 0.000 2.665 488 T HA 0.829 5.179 4.350 -0.000 0.000 0.303 488 T C -1.337 173.350 174.700 -0.022 0.000 1.334 488 T CA -0.579 61.497 62.100 -0.040 0.000 1.011 488 T CB 1.372 70.191 68.868 -0.082 0.000 1.573 488 T HN 0.798 nan 8.240 nan 0.000 0.492 489 A N 0.813 123.618 122.820 -0.025 0.000 2.331 489 A HA 0.809 5.129 4.320 -0.000 0.000 0.320 489 A C -0.125 177.464 177.584 0.007 0.000 1.138 489 A CA -0.853 51.184 52.037 0.001 0.000 0.790 489 A CB 1.125 20.123 19.000 -0.004 0.000 1.206 489 A HN 0.825 nan 8.150 nan 0.000 0.470 490 R N 2.980 123.506 120.500 0.044 0.000 2.346 490 R HA 0.640 4.980 4.340 -0.000 0.000 0.311 490 R C -1.576 174.760 176.300 0.061 0.000 0.983 490 R CA -0.309 55.824 56.100 0.055 0.000 0.880 490 R CB 0.522 30.871 30.300 0.082 0.000 1.100 490 R HN 0.716 nan 8.270 nan 0.000 0.453 491 I N 5.912 126.532 120.570 0.082 0.000 2.478 491 I HA 0.293 4.463 4.170 -0.000 0.000 0.287 491 I C -0.304 175.899 176.117 0.142 0.000 1.042 491 I CA -0.881 60.484 61.300 0.108 0.000 1.067 491 I CB 2.068 40.206 38.000 0.229 0.000 1.233 491 I HN 0.374 nan 8.210 nan 0.000 0.431 492 I N 6.750 127.260 120.570 -0.100 0.000 2.306 492 I HA 0.296 4.465 4.170 -0.000 0.000 0.288 492 I C -0.516 175.470 176.117 -0.218 0.000 1.036 492 I CA -0.234 60.949 61.300 -0.194 0.000 1.221 492 I CB 0.497 38.195 38.000 -0.503 0.000 1.385 492 I HN 0.354 nan 8.210 nan 0.000 0.472 493 F N 7.821 127.502 119.950 -0.449 0.000 2.538 493 F HA 0.528 5.055 4.527 -0.000 0.000 0.325 493 F C -0.129 175.430 175.800 -0.401 0.000 1.066 493 F CA -0.997 56.589 58.000 -0.689 0.000 0.946 493 F CB 1.618 39.661 39.000 -1.595 0.000 1.199 493 F HN 0.527 nan 8.300 nan 0.000 0.473 494 N N 2.702 120.643 118.700 -1.264 0.000 2.752 494 N HA 0.261 5.001 4.740 -0.000 0.000 0.260 494 N C -0.166 174.714 175.510 -1.050 0.000 1.562 494 N CA -0.216 52.313 53.050 -0.867 0.000 0.788 494 N CB 0.654 38.906 38.487 -0.391 0.000 1.192 494 N HN 0.769 nan 8.380 nan 0.000 0.503 495 G N 1.278 109.188 108.800 -1.485 0.000 2.742 495 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.204 495 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.204 495 G C 1.155 176.078 174.900 0.039 0.000 1.126 495 G CA -0.069 44.664 45.100 -0.610 0.000 0.829 495 G HN 0.301 nan 8.290 nan 0.000 0.574 496 K N -0.039 120.411 120.400 0.084 0.000 2.218 496 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 496 K C 0.303 176.946 176.600 0.071 0.000 1.046 496 K CA 1.341 57.727 56.287 0.166 0.000 0.933 496 K CB 0.042 32.636 32.500 0.157 0.000 0.728 496 K HN 0.271 nan 8.250 nan 0.000 0.454 497 D N -2.573 117.820 120.400 -0.013 0.000 3.734 497 D HA 0.106 4.746 4.640 -0.000 0.000 0.350 497 D C -0.110 176.131 176.300 -0.098 0.000 1.511 497 D CA -0.561 53.422 54.000 -0.028 0.000 0.956 497 D CB 0.393 41.184 40.800 -0.015 0.000 1.470 497 D HN -0.243 nan 8.370 nan 0.000 0.598 498 L N 0.569 121.723 121.223 -0.116 0.000 2.693 498 L HA 0.267 4.607 4.340 -0.000 0.000 0.235 498 L C -0.189 176.606 176.870 -0.125 0.000 1.127 498 L CA 0.241 54.987 54.840 -0.156 0.000 0.914 498 L CB -1.177 40.730 42.059 -0.252 0.000 1.193 498 L HN 0.086 nan 8.230 nan 0.000 0.502 499 N N 1.175 119.811 118.700 -0.107 0.000 2.408 499 N HA 0.237 4.977 4.740 -0.000 0.000 0.257 499 N C -0.108 175.326 175.510 -0.127 0.000 1.064 499 N CA -0.174 52.818 53.050 -0.098 0.000 0.952 499 N CB 0.761 39.217 38.487 -0.052 0.000 1.093 499 N HN 0.058 nan 8.380 nan 0.000 0.490 500 L N 1.965 123.098 121.223 -0.151 0.000 2.700 500 L HA -0.019 4.321 4.340 -0.000 0.000 0.276 500 L C -0.196 176.598 176.870 -0.126 0.000 1.200 500 L CA 0.061 54.791 54.840 -0.184 0.000 0.951 500 L CB -0.561 41.372 42.059 -0.211 0.000 1.226 500 L HN 0.192 nan 8.230 nan 0.000 0.489 501 V N 3.766 123.629 119.914 -0.085 0.000 2.427 501 V HA 0.296 4.416 4.120 -0.000 0.000 0.286 501 V C 0.222 176.380 176.094 0.107 0.000 1.034 501 V CA -0.586 61.738 62.300 0.040 0.000 0.893 501 V CB 1.814 33.728 31.823 0.151 0.000 0.982 501 V HN 0.743 nan 8.190 nan 0.000 0.452 502 E N 4.174 124.416 120.200 0.069 0.000 2.212 502 E HA 0.725 5.075 4.350 -0.000 0.000 0.270 502 E C -1.019 175.642 176.600 0.102 0.000 0.956 502 E CA -0.857 55.590 56.400 0.078 0.000 0.825 502 E CB 1.198 30.909 29.700 0.018 0.000 1.167 502 E HN 0.487 nan 8.360 nan 0.000 0.400 503 R N 2.208 122.767 120.500 0.099 0.000 2.604 503 R HA 0.355 4.695 4.340 -0.000 0.000 0.261 503 R C -1.281 175.016 176.300 -0.004 0.000 1.080 503 R CA -0.673 55.425 56.100 -0.004 0.000 0.917 503 R CB 1.623 31.691 30.300 -0.386 0.000 1.252 503 R HN 0.630 nan 8.270 nan 0.000 0.456 504 R N 1.655 122.133 120.500 -0.038 0.000 2.599 504 R HA 0.589 4.929 4.340 -0.000 0.000 0.295 504 R C -0.288 175.938 176.300 -0.124 0.000 0.963 504 R CA -0.949 55.092 56.100 -0.098 0.000 0.883 504 R CB 1.641 31.816 30.300 -0.208 0.000 1.171 504 R HN 0.285 nan 8.270 nan 0.000 0.450 505 I N 1.448 121.957 120.570 -0.101 0.000 2.525 505 I HA 0.266 4.436 4.170 -0.000 0.000 0.301 505 I C 0.434 176.506 176.117 -0.076 0.000 0.992 505 I CA -0.415 60.822 61.300 -0.106 0.000 1.162 505 I CB 1.877 39.814 38.000 -0.106 0.000 1.332 505 I HN 0.690 nan 8.210 nan 0.000 0.458 506 A N 4.984 127.766 122.820 -0.064 0.000 2.993 506 A HA 0.544 4.864 4.320 -0.000 0.000 0.281 506 A C 0.751 178.319 177.584 -0.027 0.000 1.847 506 A CA 0.097 52.114 52.037 -0.033 0.000 1.470 506 A CB -1.318 17.678 19.000 -0.006 0.000 1.028 506 A HN 0.805 nan 8.150 nan 0.000 0.604 507 A N 1.385 124.188 122.820 -0.029 0.000 2.260 507 A HA 0.669 4.989 4.320 -0.000 0.000 0.278 507 A C 0.571 178.146 177.584 -0.014 0.000 1.269 507 A CA 0.373 52.397 52.037 -0.022 0.000 0.824 507 A CB 0.073 19.060 19.000 -0.021 0.000 1.238 507 A HN 1.851 nan 8.150 nan 0.000 0.507 508 V N -1.889 118.017 119.914 -0.013 0.000 2.962 508 V HA 0.702 4.822 4.120 -0.000 0.000 0.313 508 V C -0.734 175.355 176.094 -0.008 0.000 1.099 508 V CA -1.050 61.245 62.300 -0.008 0.000 0.971 508 V CB 1.973 33.792 31.823 -0.007 0.000 1.028 508 V HN 0.869 nan 8.190 nan 0.000 0.430 509 N N 3.068 121.765 118.700 -0.005 0.000 2.314 509 N HA 0.551 5.291 4.740 -0.000 0.000 0.294 509 N C -1.997 173.510 175.510 -0.005 0.000 1.029 509 N CA -1.908 51.139 53.050 -0.005 0.000 0.845 509 N CB 3.095 41.581 38.487 -0.003 0.000 1.321 509 N HN 0.569 nan 8.380 nan 0.000 0.481 510 P HA -0.009 nan 4.420 nan 0.000 0.218 510 P C 0.811 178.108 177.300 -0.004 0.000 1.152 510 P CA 0.853 63.950 63.100 -0.006 0.000 0.826 510 P CB 0.431 32.125 31.700 -0.009 0.000 0.790 511 S N -0.489 115.208 115.700 -0.004 0.000 2.507 511 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 511 S C 0.844 175.443 174.600 -0.001 0.000 0.988 511 S CA 0.650 58.848 58.200 -0.003 0.000 0.944 511 S CB -0.710 62.488 63.200 -0.004 0.000 0.762 511 S HN 0.221 nan 8.310 nan 0.000 0.526 512 D N 0.794 121.194 120.400 -0.000 0.000 2.392 512 D HA 0.299 4.939 4.640 -0.000 0.000 0.228 512 D C -1.995 174.307 176.300 0.004 0.000 1.074 512 D CA -2.561 51.440 54.000 0.002 0.000 0.838 512 D CB 1.543 42.345 40.800 0.003 0.000 1.067 512 D HN -0.113 nan 8.370 nan 0.000 0.511 513 P HA -0.203 nan 4.420 nan 0.000 0.211 513 P C 1.676 178.982 177.300 0.009 0.000 1.181 513 P CA 0.601 63.704 63.100 0.006 0.000 0.929 513 P CB 0.137 31.841 31.700 0.006 0.000 0.789 514 L N 0.353 121.582 121.223 0.011 0.000 1.991 514 L HA -0.221 4.119 4.340 -0.000 0.000 0.221 514 L C 1.745 178.624 176.870 0.015 0.000 1.079 514 L CA 2.086 56.935 54.840 0.015 0.000 0.778 514 L CB -1.745 40.324 42.059 0.017 0.000 0.893 514 L HN -0.126 nan 8.230 nan 0.000 0.437 515 E N -0.855 119.352 120.200 0.012 0.000 2.527 515 E HA -0.084 4.266 4.350 -0.000 0.000 0.204 515 E C 1.408 178.013 176.600 0.008 0.000 1.132 515 E CA 0.930 57.337 56.400 0.011 0.000 0.905 515 E CB -0.405 29.299 29.700 0.007 0.000 0.875 515 E HN 0.630 nan 8.360 nan 0.000 0.548 516 T N -2.330 112.229 114.554 0.009 0.000 2.990 516 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 516 T C 1.463 176.169 174.700 0.011 0.000 1.041 516 T CA 0.361 62.466 62.100 0.007 0.000 1.010 516 T CB 0.311 69.183 68.868 0.006 0.000 1.003 516 T HN 0.078 nan 8.240 nan 0.000 0.499 517 T N 2.485 117.048 114.554 0.015 0.000 3.098 517 T HA 0.048 4.398 4.350 -0.000 0.000 0.266 517 T C 0.770 175.482 174.700 0.021 0.000 1.145 517 T CA 0.671 62.783 62.100 0.019 0.000 1.092 517 T CB -0.105 68.777 68.868 0.024 0.000 0.908 517 T HN 0.431 nan 8.240 nan 0.000 0.526 518 K N 2.008 122.418 120.400 0.017 0.000 2.168 518 K HA 0.280 4.600 4.320 -0.000 0.000 0.258 518 K C -2.823 173.784 176.600 0.012 0.000 1.010 518 K CA -1.873 54.425 56.287 0.017 0.000 0.929 518 K CB 0.067 32.574 32.500 0.013 0.000 0.998 518 K HN -0.053 nan 8.250 nan 0.000 0.479 519 P HA 0.024 nan 4.420 nan 0.000 0.276 519 P C -0.965 176.333 177.300 -0.003 0.000 1.243 519 P CA -0.100 63.002 63.100 0.004 0.000 0.768 519 P CB 0.437 32.139 31.700 0.003 0.000 0.856 520 D N 2.680 123.077 120.400 -0.005 0.000 2.525 520 D HA 0.007 4.647 4.640 -0.000 0.000 0.235 520 D C 0.085 176.375 176.300 -0.016 0.000 1.137 520 D CA 0.910 54.904 54.000 -0.010 0.000 0.868 520 D CB 0.452 41.246 40.800 -0.009 0.000 1.180 520 D HN 0.200 nan 8.370 nan 0.000 0.465 521 M N 1.668 121.256 119.600 -0.020 0.000 2.456 521 M HA 0.229 4.709 4.480 -0.000 0.000 0.324 521 M C -0.585 175.698 176.300 -0.028 0.000 1.124 521 M CA -0.442 54.842 55.300 -0.027 0.000 0.959 521 M CB 1.955 34.536 32.600 -0.032 0.000 1.692 521 M HN 0.281 nan 8.290 nan 0.000 0.444 522 T N 2.131 116.667 114.554 -0.030 0.000 2.829 522 T HA 0.386 4.736 4.350 -0.000 0.000 0.280 522 T C 0.638 175.321 174.700 -0.028 0.000 0.999 522 T CA -0.925 61.159 62.100 -0.028 0.000 0.983 522 T CB 1.153 70.008 68.868 -0.023 0.000 0.968 522 T HN 0.751 nan 8.240 nan 0.000 0.446 523 L N 2.436 123.647 121.223 -0.020 0.000 2.051 523 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 523 L C 2.443 179.296 176.870 -0.029 0.000 1.076 523 L CA 2.145 56.984 54.840 -0.001 0.000 0.758 523 L CB -0.832 41.254 42.059 0.045 0.000 0.890 523 L HN 0.946 nan 8.230 nan 0.000 0.433 524 K N -0.406 119.976 120.400 -0.030 0.000 1.965 524 K HA -0.303 4.017 4.320 -0.000 0.000 0.218 524 K C 2.115 178.689 176.600 -0.042 0.000 1.048 524 K CA 1.877 58.140 56.287 -0.040 0.000 0.960 524 K CB -0.453 32.038 32.500 -0.014 0.000 0.732 524 K HN 0.341 nan 8.250 nan 0.000 0.444 525 E N 0.276 120.459 120.200 -0.028 0.000 2.164 525 E HA -0.284 4.066 4.350 -0.000 0.000 0.206 525 E C 1.566 178.134 176.600 -0.053 0.000 1.032 525 E CA 1.967 58.348 56.400 -0.031 0.000 0.832 525 E CB -0.382 29.298 29.700 -0.035 0.000 0.742 525 E HN 0.474 nan 8.360 nan 0.000 0.460 526 A N 0.095 122.878 122.820 -0.062 0.000 1.841 526 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 526 A C 2.077 179.624 177.584 -0.060 0.000 1.199 526 A CA 1.821 53.812 52.037 -0.076 0.000 0.621 526 A CB -1.011 17.956 19.000 -0.055 0.000 0.835 526 A HN 0.321 nan 8.150 nan 0.000 0.445 527 L N -0.118 121.052 121.223 -0.089 0.000 2.556 527 L HA -0.177 4.163 4.340 -0.000 0.000 0.230 527 L C 2.246 179.164 176.870 0.080 0.000 1.163 527 L CA 1.702 56.461 54.840 -0.134 0.000 0.819 527 L CB -0.451 41.192 42.059 -0.695 0.000 0.939 527 L HN 0.394 nan 8.230 nan 0.000 0.452 528 K N -0.366 120.070 120.400 0.060 0.000 2.067 528 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 528 K C 1.968 178.622 176.600 0.091 0.000 1.048 528 K CA 1.414 57.778 56.287 0.127 0.000 0.954 528 K CB -0.035 32.507 32.500 0.069 0.000 0.737 528 K HN 0.373 nan 8.250 nan 0.000 0.444 529 I N -2.041 118.519 120.570 -0.016 0.000 2.585 529 I HA 0.106 4.276 4.170 -0.000 0.000 0.254 529 I C 2.391 178.425 176.117 -0.138 0.000 1.129 529 I CA 0.633 61.882 61.300 -0.086 0.000 1.455 529 I CB -0.479 37.363 38.000 -0.263 0.000 1.111 529 I HN -0.117 nan 8.210 nan 0.000 0.433 530 A N 1.769 124.467 122.820 -0.204 0.000 1.883 530 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 530 A C 1.864 179.026 177.584 -0.703 0.000 1.186 530 A CA 2.131 53.873 52.037 -0.490 0.000 0.624 530 A CB -0.846 17.822 19.000 -0.553 0.000 0.822 530 A HN 0.561 nan 8.150 nan 0.000 0.444 531 F N -3.385 116.600 119.950 0.058 0.000 2.640 531 F HA 0.451 4.978 4.527 -0.000 0.000 0.285 531 F C 1.688 177.646 175.800 0.262 0.000 1.031 531 F CA 0.561 58.650 58.000 0.149 0.000 1.240 531 F CB 0.567 39.611 39.000 0.072 0.000 1.011 531 F HN 0.384 nan 8.300 nan 0.000 0.656 532 G N -0.009 109.055 108.800 0.441 0.000 2.200 532 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.145 532 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.145 532 G C -0.123 174.976 174.900 0.331 0.000 1.021 532 G CA -0.923 44.375 45.100 0.330 0.000 0.720 532 G HN 0.003 nan 8.290 nan 0.000 0.494 533 F N 2.545 122.637 119.950 0.237 0.000 2.595 533 F HA 0.362 4.889 4.527 -0.000 0.000 0.359 533 F C 1.172 177.034 175.800 0.103 0.000 1.147 533 F CA 0.586 58.700 58.000 0.190 0.000 1.341 533 F CB 0.579 39.619 39.000 0.067 0.000 1.104 533 F HN 0.418 nan 8.300 nan 0.000 0.603 534 N N 0.992 119.824 118.700 0.220 0.000 2.571 534 N HA 0.310 5.050 4.740 -0.000 0.000 0.273 534 N C -1.650 173.941 175.510 0.136 0.000 1.340 534 N CA -0.941 52.193 53.050 0.141 0.000 0.789 534 N CB 1.561 40.090 38.487 0.071 0.000 1.514 534 N HN 0.548 nan 8.380 nan 0.000 0.499 535 E N 0.184 120.445 120.200 0.102 0.000 2.546 535 E HA 0.272 4.622 4.350 -0.000 0.000 0.227 535 E C -1.758 174.883 176.600 0.069 0.000 1.009 535 E CA -1.513 54.942 56.400 0.092 0.000 0.813 535 E CB 1.308 31.059 29.700 0.084 0.000 1.269 535 E HN 0.454 nan 8.360 nan 0.000 0.432 536 P HA -0.130 nan 4.420 nan 0.000 0.211 536 P C 0.170 177.496 177.300 0.045 0.000 1.179 536 P CA 1.240 64.368 63.100 0.047 0.000 0.910 536 P CB 0.262 31.987 31.700 0.042 0.000 0.785 537 N N -2.281 116.447 118.700 0.048 0.000 2.338 537 N HA 0.304 5.044 4.740 -0.000 0.000 0.251 537 N C 0.369 175.908 175.510 0.047 0.000 1.199 537 N CA 0.464 53.539 53.050 0.042 0.000 0.879 537 N CB 0.860 39.369 38.487 0.037 0.000 1.159 537 N HN 0.149 nan 8.380 nan 0.000 0.514 538 G N 1.024 109.857 108.800 0.055 0.000 2.179 538 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 538 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 538 G C -0.429 174.513 174.900 0.070 0.000 0.990 538 G CA -0.569 44.566 45.100 0.058 0.000 0.646 538 G HN 0.383 nan 8.290 nan 0.000 0.517 539 N N 0.357 119.107 118.700 0.082 0.000 2.446 539 N HA 0.476 5.216 4.740 -0.000 0.000 0.265 539 N C -0.414 175.181 175.510 0.142 0.000 0.975 539 N CA -0.822 52.291 53.050 0.105 0.000 0.928 539 N CB 1.884 40.430 38.487 0.098 0.000 1.160 539 N HN 0.117 nan 8.380 nan 0.000 0.495 540 L N 3.939 125.263 121.223 0.167 0.000 2.574 540 L HA -0.018 4.322 4.340 -0.000 0.000 0.281 540 L C 0.368 177.448 176.870 0.350 0.000 1.212 540 L CA 0.572 55.550 54.840 0.230 0.000 1.082 540 L CB -0.921 41.253 42.059 0.191 0.000 1.362 540 L HN 0.565 nan 8.230 nan 0.000 0.451 541 Q N 2.980 122.968 119.800 0.312 0.000 2.385 541 Q HA 0.391 4.731 4.340 -0.000 0.000 0.262 541 Q C -1.398 174.695 176.000 0.154 0.000 1.050 541 Q CA -0.920 55.070 55.803 0.311 0.000 0.903 541 Q CB 1.407 30.260 28.738 0.192 0.000 1.325 541 Q HN 0.409 nan 8.270 nan 0.000 0.485 542 Y N 0.732 120.917 120.300 -0.191 0.000 2.426 542 Y HA 0.205 4.755 4.550 -0.000 0.000 0.325 542 Y C -0.618 175.182 175.900 -0.166 0.000 0.989 542 Y CA -0.419 57.337 58.100 -0.573 0.000 1.284 542 Y CB 0.880 38.601 38.460 -1.232 0.000 1.104 542 Y HN 0.949 nan 8.280 nan 0.000 0.481 543 Q N 3.875 123.344 119.800 -0.553 0.000 2.426 543 Q HA -0.327 4.013 4.340 -0.000 0.000 0.254 543 Q C 1.037 176.955 176.000 -0.137 0.000 1.017 543 Q CA 1.421 56.997 55.803 -0.378 0.000 1.083 543 Q CB -1.349 27.062 28.738 -0.545 0.000 1.552 543 Q HN 1.238 nan 8.270 nan 0.000 0.532 544 G N -0.711 108.062 108.800 -0.045 0.000 3.330 544 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.197 544 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.197 544 G C -0.214 174.749 174.900 0.105 0.000 1.284 544 G CA -0.261 44.857 45.100 0.031 0.000 0.921 544 G HN 0.145 nan 8.290 nan 0.000 0.466 545 K N 1.771 122.284 120.400 0.187 0.000 2.382 545 K HA 0.358 4.678 4.320 -0.000 0.000 0.275 545 K C -0.731 176.093 176.600 0.373 0.000 1.009 545 K CA -0.101 56.358 56.287 0.285 0.000 0.970 545 K CB 0.991 33.760 32.500 0.449 0.000 0.934 545 K HN 0.316 nan 8.250 nan 0.000 0.479 546 D N 2.440 123.034 120.400 0.322 0.000 2.256 546 D HA -0.007 4.633 4.640 -0.000 0.000 0.250 546 D C 0.927 177.559 176.300 0.553 0.000 1.093 546 D CA -0.411 53.796 54.000 0.345 0.000 0.882 546 D CB 1.054 41.971 40.800 0.194 0.000 1.185 546 D HN 0.374 nan 8.370 nan 0.000 0.437 547 I N 3.564 124.488 120.570 0.589 0.000 2.597 547 I HA -0.283 3.887 4.170 -0.000 0.000 0.262 547 I C 1.939 178.509 176.117 0.755 0.000 1.194 547 I CA 2.008 63.727 61.300 0.697 0.000 1.437 547 I CB -0.424 37.852 38.000 0.459 0.000 1.096 547 I HN 0.533 nan 8.210 nan 0.000 0.451 548 T N -3.592 111.211 114.554 0.414 0.000 3.113 548 T HA 0.064 4.414 4.350 -0.000 0.000 0.256 548 T C 1.354 176.106 174.700 0.087 0.000 1.131 548 T CA 0.497 62.602 62.100 0.008 0.000 1.074 548 T CB -0.448 68.252 68.868 -0.281 0.000 0.944 548 T HN 0.510 nan 8.240 nan 0.000 0.516 549 E N 0.248 120.563 120.200 0.192 0.000 2.465 549 E HA 0.229 4.579 4.350 -0.000 0.000 0.191 549 E C -0.924 175.484 176.600 -0.320 0.000 1.053 549 E CA -0.107 56.215 56.400 -0.129 0.000 0.869 549 E CB 0.128 29.645 29.700 -0.306 0.000 0.977 549 E HN 0.557 nan 8.360 nan 0.000 0.483 550 F N 0.232 120.393 119.950 0.351 0.000 2.551 550 F HA 0.270 4.797 4.527 -0.000 0.000 0.316 550 F C 0.092 176.140 175.800 0.414 0.000 1.089 550 F CA -1.529 56.683 58.000 0.353 0.000 0.915 550 F CB 1.356 40.569 39.000 0.354 0.000 1.186 550 F HN -0.276 nan 8.300 nan 0.000 0.456 551 D N 1.311 121.979 120.400 0.447 0.000 2.256 551 D HA 0.328 4.968 4.640 -0.000 0.000 0.250 551 D C -1.248 175.200 176.300 0.245 0.000 1.093 551 D CA 0.040 54.257 54.000 0.360 0.000 0.882 551 D CB 0.582 41.522 40.800 0.233 0.000 1.185 551 D HN 0.170 nan 8.370 nan 0.000 0.437 552 F N 3.040 122.944 119.950 -0.076 0.000 2.391 552 F HA 0.377 4.904 4.527 -0.000 0.000 0.359 552 F C 0.321 175.773 175.800 -0.580 0.000 1.122 552 F CA -0.667 57.121 58.000 -0.354 0.000 1.120 552 F CB 0.793 39.544 39.000 -0.415 0.000 1.142 552 F HN 0.191 nan 8.300 nan 0.000 0.483 553 N N 4.712 123.114 118.700 -0.496 0.000 2.399 553 N HA 0.388 5.128 4.740 -0.000 0.000 0.280 553 N C -1.155 174.136 175.510 -0.365 0.000 1.008 553 N CA -0.297 52.530 53.050 -0.371 0.000 0.894 553 N CB 1.782 40.228 38.487 -0.069 0.000 1.273 553 N HN 0.189 nan 8.380 nan 0.000 0.486 554 F N 0.050 120.112 119.950 0.185 0.000 2.572 554 F HA 0.342 4.869 4.527 -0.000 0.000 0.342 554 F C 0.922 176.806 175.800 0.141 0.000 1.064 554 F CA -1.098 57.014 58.000 0.186 0.000 1.008 554 F CB 0.619 39.694 39.000 0.125 0.000 1.303 554 F HN 0.374 nan 8.300 nan 0.000 0.492 555 D N -1.113 119.472 120.400 0.308 0.000 2.388 555 D HA 0.182 4.822 4.640 -0.000 0.000 0.254 555 D C 0.875 177.207 176.300 0.054 0.000 1.111 555 D CA -0.611 53.405 54.000 0.028 0.000 0.993 555 D CB 0.510 41.266 40.800 -0.073 0.000 1.118 555 D HN 0.637 nan 8.370 nan 0.000 0.502 556 Q N -0.856 118.934 119.800 -0.017 0.000 2.156 556 Q HA -0.322 4.018 4.340 -0.000 0.000 0.211 556 Q C 1.563 177.572 176.000 0.015 0.000 0.995 556 Q CA 1.816 57.622 55.803 0.005 0.000 0.877 556 Q CB 0.065 28.790 28.738 -0.022 0.000 0.920 556 Q HN 0.501 nan 8.270 nan 0.000 0.416 557 Q N -0.509 119.296 119.800 0.008 0.000 1.896 557 Q HA -0.079 4.261 4.340 -0.000 0.000 0.205 557 Q C 2.250 178.253 176.000 0.005 0.000 0.978 557 Q CA 1.876 57.681 55.803 0.004 0.000 0.850 557 Q CB -1.009 27.730 28.738 0.002 0.000 0.908 557 Q HN 0.371 nan 8.270 nan 0.000 0.431 558 T N 1.664 116.231 114.554 0.021 0.000 2.755 558 T HA -0.226 4.124 4.350 -0.000 0.000 0.266 558 T C 1.965 176.597 174.700 -0.114 0.000 1.041 558 T CA 1.737 63.815 62.100 -0.037 0.000 1.147 558 T CB -0.374 68.524 68.868 0.050 0.000 0.847 558 T HN 0.341 nan 8.240 nan 0.000 0.478 559 S N 0.295 116.018 115.700 0.039 0.000 2.365 559 S HA -0.215 4.255 4.470 -0.000 0.000 0.221 559 S C 2.170 176.759 174.600 -0.019 0.000 1.037 559 S CA 1.435 59.683 58.200 0.080 0.000 1.060 559 S CB -0.340 62.945 63.200 0.141 0.000 0.974 559 S HN 0.431 nan 8.310 nan 0.000 0.427 560 Q N 1.346 121.139 119.800 -0.012 0.000 2.002 560 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 560 Q C 2.226 178.191 176.000 -0.059 0.000 0.988 560 Q CA 1.400 57.188 55.803 -0.025 0.000 0.843 560 Q CB -1.280 27.448 28.738 -0.017 0.000 0.908 560 Q HN 0.639 nan 8.270 nan 0.000 0.420 561 N N 0.747 119.403 118.700 -0.074 0.000 2.242 561 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 561 N C 1.589 177.022 175.510 -0.128 0.000 1.005 561 N CA 1.084 54.080 53.050 -0.090 0.000 0.877 561 N CB -0.050 38.383 38.487 -0.090 0.000 0.983 561 N HN 0.315 nan 8.380 nan 0.000 0.439 562 I N -0.212 120.245 120.570 -0.188 0.000 2.927 562 I HA -0.079 4.091 4.170 -0.000 0.000 0.268 562 I C 2.366 178.408 176.117 -0.125 0.000 1.153 562 I CA 0.128 61.294 61.300 -0.224 0.000 1.459 562 I CB -0.151 37.567 38.000 -0.470 0.000 1.149 562 I HN 0.035 nan 8.210 nan 0.000 0.443 563 K N 1.545 121.896 120.400 -0.082 0.000 2.057 563 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 563 K C 1.752 178.333 176.600 -0.032 0.000 1.049 563 K CA 1.587 57.856 56.287 -0.031 0.000 0.931 563 K CB -0.022 32.476 32.500 -0.004 0.000 0.714 563 K HN 0.256 nan 8.250 nan 0.000 0.440 564 N N 0.923 119.599 118.700 -0.039 0.000 2.364 564 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 564 N C 1.637 177.126 175.510 -0.035 0.000 1.022 564 N CA 1.139 54.170 53.050 -0.032 0.000 0.883 564 N CB 0.029 38.496 38.487 -0.033 0.000 0.965 564 N HN 0.449 nan 8.380 nan 0.000 0.438 565 Q N 0.295 120.066 119.800 -0.048 0.000 2.089 565 Q HA 0.134 4.474 4.340 -0.000 0.000 0.195 565 Q C 2.094 178.071 176.000 -0.037 0.000 0.963 565 Q CA 0.477 56.252 55.803 -0.046 0.000 0.834 565 Q CB 0.050 28.750 28.738 -0.063 0.000 0.906 565 Q HN 0.299 nan 8.270 nan 0.000 0.452 566 L N 0.381 121.581 121.223 -0.038 0.000 2.353 566 L HA -0.144 4.196 4.340 -0.000 0.000 0.220 566 L C 2.213 179.074 176.870 -0.015 0.000 1.133 566 L CA 0.572 55.396 54.840 -0.026 0.000 0.798 566 L CB -0.448 41.599 42.059 -0.020 0.000 0.922 566 L HN 0.212 nan 8.230 nan 0.000 0.445 567 A N 0.185 122.996 122.820 -0.016 0.000 1.850 567 A HA -0.106 4.214 4.320 -0.000 0.000 0.212 567 A C 1.903 179.481 177.584 -0.010 0.000 1.208 567 A CA 0.697 52.728 52.037 -0.010 0.000 0.609 567 A CB -0.300 18.694 19.000 -0.010 0.000 0.860 567 A HN 0.366 nan 8.150 nan 0.000 0.448 568 E N -0.341 119.851 120.200 -0.013 0.000 2.461 568 E HA 0.109 4.459 4.350 -0.000 0.000 0.196 568 E C 0.159 176.753 176.600 -0.011 0.000 1.129 568 E CA 0.097 56.490 56.400 -0.012 0.000 0.902 568 E CB -0.130 29.562 29.700 -0.014 0.000 0.963 568 E HN 0.544 nan 8.360 nan 0.000 0.503 569 L N 0.063 121.279 121.223 -0.011 0.000 3.259 569 L HA 0.144 4.484 4.340 -0.000 0.000 0.292 569 L C -0.308 176.559 176.870 -0.006 0.000 1.219 569 L CA -0.464 54.370 54.840 -0.010 0.000 1.035 569 L CB 0.264 42.314 42.059 -0.015 0.000 1.424 569 L HN 0.009 nan 8.230 nan 0.000 0.603 570 N N 2.549 121.246 118.700 -0.004 0.000 2.601 570 N HA -0.165 4.575 4.740 -0.000 0.000 0.298 570 N C -0.296 175.215 175.510 0.002 0.000 1.227 570 N CA 1.175 54.225 53.050 -0.000 0.000 0.732 570 N CB -0.262 38.226 38.487 0.001 0.000 0.964 570 N HN 0.482 nan 8.380 nan 0.000 0.549 571 A N 0.642 123.464 122.820 0.003 0.000 2.590 571 A HA 0.589 4.909 4.320 -0.000 0.000 0.294 571 A C 0.516 178.107 177.584 0.011 0.000 1.046 571 A CA 0.088 52.129 52.037 0.007 0.000 0.684 571 A CB 1.286 20.288 19.000 0.004 0.000 1.279 571 A HN 0.322 nan 8.150 nan 0.000 0.415 572 T N -0.280 114.286 114.554 0.019 0.000 2.959 572 T HA 0.159 4.509 4.350 -0.000 0.000 0.254 572 T C 0.250 174.974 174.700 0.040 0.000 1.003 572 T CA 0.652 62.769 62.100 0.027 0.000 0.950 572 T CB -0.355 68.530 68.868 0.029 0.000 1.090 572 T HN 0.574 nan 8.240 nan 0.000 0.503 573 N N 1.910 120.637 118.700 0.046 0.000 2.469 573 N HA 0.233 4.973 4.740 -0.000 0.000 0.253 573 N C 0.828 176.361 175.510 0.039 0.000 0.970 573 N CA -0.169 52.932 53.050 0.085 0.000 0.940 573 N CB 1.178 39.730 38.487 0.108 0.000 1.128 573 N HN 0.350 nan 8.380 nan 0.000 0.503 574 I N 4.132 124.674 120.570 -0.045 0.000 2.394 574 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 574 I C 0.815 176.782 176.117 -0.251 0.000 1.136 574 I CA 1.062 62.242 61.300 -0.199 0.000 1.425 574 I CB 0.075 37.859 38.000 -0.359 0.000 1.079 574 I HN 0.535 nan 8.210 nan 0.000 0.425 575 Y N 0.973 121.164 120.300 -0.183 0.000 2.384 575 Y HA -0.239 4.311 4.550 -0.000 0.000 0.289 575 Y C 2.512 178.371 175.900 -0.069 0.000 1.152 575 Y CA 1.641 59.655 58.100 -0.144 0.000 1.258 575 Y CB -0.874 37.537 38.460 -0.081 0.000 0.979 575 Y HN 0.204 nan 8.280 nan 0.000 0.549 576 T N -0.718 113.887 114.554 0.084 0.000 2.815 576 T HA -0.089 4.261 4.350 -0.000 0.000 0.244 576 T C 1.793 176.500 174.700 0.013 0.000 1.040 576 T CA 1.406 63.536 62.100 0.051 0.000 1.176 576 T CB -0.773 68.121 68.868 0.044 0.000 0.880 576 T HN 0.217 nan 8.240 nan 0.000 0.414 577 V N 1.337 121.245 119.914 -0.010 0.000 3.593 577 V HA 0.160 4.280 4.120 -0.000 0.000 0.275 577 V C 1.953 178.021 176.094 -0.044 0.000 1.237 577 V CA 0.344 62.630 62.300 -0.022 0.000 1.194 577 V CB -1.681 30.126 31.823 -0.026 0.000 0.949 577 V HN 0.185 nan 8.190 nan 0.000 0.467 578 L N 2.919 124.108 121.223 -0.056 0.000 1.978 578 L HA -0.223 4.117 4.340 -0.000 0.000 0.218 578 L C 2.300 179.145 176.870 -0.041 0.000 1.075 578 L CA 2.659 57.451 54.840 -0.080 0.000 0.767 578 L CB -0.821 41.196 42.059 -0.070 0.000 0.890 578 L HN 0.763 nan 8.230 nan 0.000 0.434 579 D N -0.911 119.478 120.400 -0.018 0.000 2.403 579 D HA -0.142 4.498 4.640 -0.000 0.000 0.260 579 D C 0.563 176.856 176.300 -0.013 0.000 1.243 579 D CA 0.442 54.437 54.000 -0.010 0.000 0.918 579 D CB -0.272 40.532 40.800 0.005 0.000 0.939 579 D HN 0.472 nan 8.370 nan 0.000 0.507 580 K N 0.275 120.662 120.400 -0.023 0.000 2.665 580 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 580 K C -0.424 176.156 176.600 -0.034 0.000 1.135 580 K CA -0.478 55.795 56.287 -0.023 0.000 1.089 580 K CB 1.227 33.716 32.500 -0.018 0.000 0.817 580 K HN 0.039 nan 8.250 nan 0.000 0.506 581 I N 2.550 123.095 120.570 -0.041 0.000 2.312 581 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 581 I C -0.009 176.079 176.117 -0.049 0.000 1.008 581 I CA -0.825 60.442 61.300 -0.055 0.000 1.226 581 I CB 0.946 38.906 38.000 -0.066 0.000 1.371 581 I HN -0.134 nan 8.210 nan 0.000 0.468 582 K N 7.294 127.662 120.400 -0.052 0.000 2.316 582 K HA 0.395 4.715 4.320 -0.000 0.000 0.289 582 K C -0.325 176.243 176.600 -0.053 0.000 1.070 582 K CA -0.358 55.903 56.287 -0.045 0.000 0.928 582 K CB 1.043 33.520 32.500 -0.039 0.000 1.039 582 K HN 0.511 nan 8.250 nan 0.000 0.480 583 L N 3.919 125.116 121.223 -0.043 0.000 2.278 583 L HA 0.232 4.572 4.340 -0.000 0.000 0.287 583 L C 0.416 177.266 176.870 -0.033 0.000 1.072 583 L CA -0.246 54.569 54.840 -0.041 0.000 0.819 583 L CB 0.322 42.363 42.059 -0.029 0.000 1.176 583 L HN 0.483 nan 8.230 nan 0.000 0.435 584 N N 1.781 120.461 118.700 -0.034 0.000 2.456 584 N HA 0.552 5.292 4.740 -0.000 0.000 0.296 584 N C -0.144 175.357 175.510 -0.014 0.000 1.102 584 N CA -0.790 52.245 53.050 -0.024 0.000 0.924 584 N CB 1.701 40.172 38.487 -0.027 0.000 1.186 584 N HN 0.675 nan 8.380 nan 0.000 0.492 585 A N 1.335 124.149 122.820 -0.010 0.000 2.583 585 A HA -0.013 4.307 4.320 -0.000 0.000 0.231 585 A C 0.650 178.237 177.584 0.004 0.000 1.065 585 A CA 0.537 52.571 52.037 -0.005 0.000 0.760 585 A CB -0.111 18.886 19.000 -0.005 0.000 1.001 585 A HN 0.989 nan 8.150 nan 0.000 0.509 586 K N -1.333 119.076 120.400 0.014 0.000 3.500 586 K HA -0.188 4.132 4.320 -0.000 0.000 0.313 586 K C 0.186 176.816 176.600 0.050 0.000 1.338 586 K CA 1.352 57.658 56.287 0.032 0.000 0.963 586 K CB -1.759 30.755 32.500 0.022 0.000 1.267 586 K HN 0.785 nan 8.250 nan 0.000 0.448 587 M N 1.674 121.299 119.600 0.041 0.000 2.217 587 M HA 0.132 4.612 4.480 -0.000 0.000 0.354 587 M C -0.584 175.785 176.300 0.114 0.000 1.225 587 M CA 0.452 55.786 55.300 0.057 0.000 1.137 587 M CB 0.539 33.148 32.600 0.015 0.000 1.576 587 M HN 0.115 nan 8.290 nan 0.000 0.461 588 N N 5.583 124.399 118.700 0.193 0.000 2.314 588 N HA 0.612 5.352 4.740 -0.000 0.000 0.294 588 N C -1.595 174.128 175.510 0.355 0.000 1.029 588 N CA -0.682 52.539 53.050 0.285 0.000 0.845 588 N CB 2.025 40.798 38.487 0.477 0.000 1.321 588 N HN 0.529 nan 8.380 nan 0.000 0.481 589 I N 1.934 122.641 120.570 0.230 0.000 2.619 589 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 589 I C -1.347 174.730 176.117 -0.066 0.000 1.100 589 I CA -0.850 60.574 61.300 0.206 0.000 1.043 589 I CB 2.379 40.510 38.000 0.218 0.000 1.239 589 I HN 0.273 nan 8.210 nan 0.000 0.420 590 L N 7.679 128.803 121.223 -0.164 0.000 2.337 590 L HA 0.514 4.854 4.340 -0.000 0.000 0.269 590 L C -0.967 175.701 176.870 -0.337 0.000 1.018 590 L CA -0.257 54.417 54.840 -0.276 0.000 0.876 590 L CB 0.684 42.604 42.059 -0.232 0.000 1.236 590 L HN 0.318 nan 8.230 nan 0.000 0.436 591 I N 5.859 126.209 120.570 -0.366 0.000 2.291 591 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 591 I C 0.239 176.323 176.117 -0.055 0.000 1.050 591 I CA -0.095 61.002 61.300 -0.338 0.000 1.245 591 I CB 0.467 38.160 38.000 -0.511 0.000 1.405 591 I HN 0.663 nan 8.210 nan 0.000 0.478 592 R N 3.405 123.938 120.500 0.054 0.000 2.740 592 R HA 0.465 4.805 4.340 -0.000 0.000 0.282 592 R C -0.458 176.135 176.300 0.488 0.000 0.969 592 R CA -0.884 55.294 56.100 0.130 0.000 0.918 592 R CB 1.964 32.116 30.300 -0.245 0.000 1.175 592 R HN 0.375 nan 8.270 nan 0.000 0.464 593 D N 1.907 122.638 120.400 0.552 0.000 2.533 593 D HA -0.079 4.561 4.640 -0.000 0.000 0.236 593 D C 0.136 176.608 176.300 0.287 0.000 1.137 593 D CA 0.541 54.716 54.000 0.291 0.000 0.867 593 D CB 1.114 42.121 40.800 0.344 0.000 1.170 593 D HN 0.658 nan 8.370 nan 0.000 0.474 594 K N 3.569 123.996 120.400 0.044 0.000 2.432 594 K HA -0.027 4.293 4.320 -0.000 0.000 0.196 594 K C 1.853 178.446 176.600 -0.011 0.000 1.038 594 K CA 0.144 56.482 56.287 0.086 0.000 0.986 594 K CB 0.348 32.877 32.500 0.048 0.000 0.782 594 K HN 0.365 nan 8.250 nan 0.000 0.485 595 R N 0.012 120.428 120.500 -0.140 0.000 2.082 595 R HA -0.072 4.268 4.340 -0.000 0.000 0.228 595 R C 0.503 176.584 176.300 -0.367 0.000 1.140 595 R CA 1.166 57.043 56.100 -0.373 0.000 0.920 595 R CB -0.418 29.416 30.300 -0.777 0.000 0.828 595 R HN 0.004 nan 8.270 nan 0.000 0.430 596 F N 0.335 120.179 119.950 -0.177 0.000 2.403 596 F HA 0.175 4.702 4.527 -0.000 0.000 0.320 596 F C 1.180 176.766 175.800 -0.358 0.000 1.176 596 F CA -0.421 57.408 58.000 -0.284 0.000 1.206 596 F CB 0.036 38.829 39.000 -0.344 0.000 1.235 596 F HN 0.012 nan 8.300 nan 0.000 0.565 597 H N -0.996 117.949 119.070 -0.207 0.000 2.544 597 H HA 0.334 4.890 4.556 -0.000 0.000 0.365 597 H C -1.233 173.839 175.328 -0.426 0.000 1.268 597 H CA -0.555 55.357 56.048 -0.226 0.000 1.400 597 H CB 0.855 30.571 29.762 -0.077 0.000 1.538 597 H HN 0.429 nan 8.280 nan 0.000 0.597 598 Y N 0.367 120.773 120.300 0.177 0.000 2.545 598 Y HA 0.080 4.630 4.550 -0.000 0.000 0.348 598 Y C 0.196 176.140 175.900 0.074 0.000 1.002 598 Y CA -1.051 57.109 58.100 0.101 0.000 1.039 598 Y CB 1.263 39.770 38.460 0.078 0.000 1.271 598 Y HN 0.727 nan 8.280 nan 0.000 0.467 599 D N 0.301 120.851 120.400 0.251 0.000 2.406 599 D HA 0.188 4.828 4.640 -0.000 0.000 0.288 599 D C 1.092 177.471 176.300 0.131 0.000 1.186 599 D CA -0.201 53.888 54.000 0.149 0.000 1.098 599 D CB 0.300 41.161 40.800 0.102 0.000 1.160 599 D HN 0.499 nan 8.370 nan 0.000 0.561 600 R N -1.081 119.475 120.500 0.094 0.000 2.173 600 R HA 0.092 4.432 4.340 -0.000 0.000 0.208 600 R C 0.575 176.915 176.300 0.066 0.000 1.035 600 R CA 0.440 56.587 56.100 0.080 0.000 1.004 600 R CB -0.071 30.261 30.300 0.052 0.000 0.917 600 R HN 0.304 nan 8.270 nan 0.000 0.462 601 N N 0.888 119.623 118.700 0.057 0.000 2.270 601 N HA 0.064 4.804 4.740 -0.000 0.000 0.198 601 N C -0.857 174.677 175.510 0.039 0.000 1.117 601 N CA 0.019 53.094 53.050 0.042 0.000 0.845 601 N CB 0.499 38.999 38.487 0.023 0.000 0.980 601 N HN 0.116 nan 8.380 nan 0.000 0.486 602 N N 0.517 119.244 118.700 0.046 0.000 2.726 602 N HA -0.161 4.579 4.740 -0.000 0.000 0.253 602 N C -1.093 174.408 175.510 -0.016 0.000 1.059 602 N CA 0.716 53.739 53.050 -0.045 0.000 0.701 602 N CB -1.320 37.100 38.487 -0.112 0.000 0.899 602 N HN 0.363 nan 8.380 nan 0.000 0.548 603 I N -0.708 119.951 120.570 0.148 0.000 2.693 603 I HA 0.536 4.706 4.170 -0.000 0.000 0.303 603 I C 0.894 177.165 176.117 0.257 0.000 1.025 603 I CA -1.262 60.121 61.300 0.137 0.000 1.086 603 I CB 1.707 39.737 38.000 0.050 0.000 1.268 603 I HN 0.133 nan 8.210 nan 0.000 0.440 604 A N 4.022 126.901 122.820 0.098 0.000 2.535 604 A HA 0.305 4.625 4.320 -0.000 0.000 0.290 604 A C 0.832 178.363 177.584 -0.089 0.000 1.270 604 A CA -0.109 51.871 52.037 -0.095 0.000 0.937 604 A CB -0.589 18.241 19.000 -0.283 0.000 1.096 604 A HN 0.613 nan 8.150 nan 0.000 0.534 605 V N 2.950 122.827 119.914 -0.061 0.000 2.365 605 V HA 0.423 4.543 4.120 -0.000 0.000 0.232 605 V C 1.347 177.420 176.094 -0.036 0.000 1.065 605 V CA 1.130 63.417 62.300 -0.022 0.000 1.054 605 V CB -1.033 30.810 31.823 0.033 0.000 0.685 605 V HN 1.113 nan 8.190 nan 0.000 0.480 606 G N -1.331 107.447 108.800 -0.036 0.000 2.717 606 G HA2 0.646 4.606 3.960 -0.000 0.000 0.300 606 G HA3 0.646 4.606 3.960 -0.000 0.000 0.300 606 G C -0.716 174.054 174.900 -0.216 0.000 1.424 606 G CA 0.111 45.178 45.100 -0.055 0.000 1.033 606 G HN 0.530 nan 8.290 nan 0.000 0.577 607 A N 1.476 124.213 122.820 -0.138 0.000 2.599 607 A HA 0.755 5.075 4.320 -0.000 0.000 0.257 607 A C 0.129 177.439 177.584 -0.458 0.000 1.641 607 A CA -0.411 51.424 52.037 -0.336 0.000 0.842 607 A CB 0.310 19.129 19.000 -0.301 0.000 1.599 607 A HN 0.568 nan 8.150 nan 0.000 0.585 608 D N -0.524 119.695 120.400 -0.301 0.000 2.253 608 D HA 0.227 4.867 4.640 -0.000 0.000 0.249 608 D C 0.848 177.079 176.300 -0.115 0.000 1.049 608 D CA -0.176 53.715 54.000 -0.181 0.000 0.929 608 D CB 0.978 41.731 40.800 -0.078 0.000 1.176 608 D HN 0.571 nan 8.370 nan 0.000 0.437 609 E N 0.604 120.757 120.200 -0.078 0.000 2.136 609 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 609 E C 1.708 178.285 176.600 -0.039 0.000 1.019 609 E CA 1.346 57.716 56.400 -0.051 0.000 0.819 609 E CB 0.046 29.722 29.700 -0.040 0.000 0.739 609 E HN 0.287 nan 8.360 nan 0.000 0.458 610 S N 0.695 116.370 115.700 -0.042 0.000 2.444 610 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 610 S C 2.257 176.837 174.600 -0.033 0.000 1.042 610 S CA 1.590 59.769 58.200 -0.035 0.000 1.132 610 S CB -0.637 62.538 63.200 -0.042 0.000 1.099 610 S HN 0.101 nan 8.310 nan 0.000 0.417 611 V N 1.910 121.784 119.914 -0.066 0.000 2.317 611 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 611 V C 2.311 178.401 176.094 -0.006 0.000 1.065 611 V CA 1.833 64.087 62.300 -0.078 0.000 1.049 611 V CB -1.154 30.556 31.823 -0.188 0.000 0.651 611 V HN 0.326 nan 8.190 nan 0.000 0.450 612 V N -0.181 119.737 119.914 0.007 0.000 2.220 612 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 612 V C 2.463 178.656 176.094 0.164 0.000 1.049 612 V CA 2.478 64.836 62.300 0.096 0.000 1.003 612 V CB -0.814 31.027 31.823 0.031 0.000 0.634 612 V HN 0.529 nan 8.190 nan 0.000 0.444 613 K N -0.246 120.187 120.400 0.056 0.000 2.034 613 K HA -0.316 4.004 4.320 -0.000 0.000 0.214 613 K C 2.174 178.864 176.600 0.150 0.000 1.051 613 K CA 2.119 58.442 56.287 0.060 0.000 0.931 613 K CB -0.366 32.147 32.500 0.021 0.000 0.715 613 K HN 0.447 nan 8.250 nan 0.000 0.446 614 E N 1.074 121.332 120.200 0.098 0.000 2.068 614 E HA -0.259 4.091 4.350 -0.000 0.000 0.207 614 E C 1.794 178.462 176.600 0.113 0.000 1.032 614 E CA 2.055 58.502 56.400 0.080 0.000 0.839 614 E CB -0.407 29.313 29.700 0.033 0.000 0.758 614 E HN 0.326 nan 8.360 nan 0.000 0.457 615 A N -0.644 122.260 122.820 0.141 0.000 2.084 615 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 615 A C 1.546 179.116 177.584 -0.022 0.000 1.161 615 A CA 2.101 54.174 52.037 0.060 0.000 0.653 615 A CB -0.852 18.167 19.000 0.033 0.000 0.802 615 A HN 0.495 nan 8.150 nan 0.000 0.457 616 H N -2.038 117.066 119.070 0.058 0.000 2.622 616 H HA 0.185 4.741 4.556 -0.000 0.000 0.269 616 H C 1.728 177.096 175.328 0.068 0.000 0.977 616 H CA 0.457 56.542 56.048 0.062 0.000 1.179 616 H CB -0.049 29.755 29.762 0.070 0.000 1.458 616 H HN 0.517 nan 8.280 nan 0.000 0.531 617 R N 1.384 121.982 120.500 0.164 0.000 2.185 617 R HA -0.129 4.211 4.340 -0.000 0.000 0.247 617 R C -0.278 176.077 176.300 0.091 0.000 1.159 617 R CA 1.033 57.196 56.100 0.105 0.000 0.988 617 R CB 0.004 30.344 30.300 0.067 0.000 0.871 617 R HN 0.435 nan 8.270 nan 0.000 0.458 618 E N 0.366 120.613 120.200 0.078 0.000 2.283 618 E HA 0.230 4.580 4.350 -0.000 0.000 0.278 618 E C -1.116 175.533 176.600 0.082 0.000 1.027 618 E CA -0.438 55.999 56.400 0.062 0.000 0.843 618 E CB 2.093 31.812 29.700 0.033 0.000 1.062 618 E HN -0.056 nan 8.360 nan 0.000 0.401 619 V N 4.059 124.024 119.914 0.086 0.000 2.876 619 V HA 0.238 4.357 4.120 -0.000 0.000 0.312 619 V C 0.261 176.396 176.094 0.068 0.000 1.085 619 V CA -0.600 61.763 62.300 0.105 0.000 0.945 619 V CB 1.861 33.791 31.823 0.179 0.000 1.017 619 V HN 0.681 nan 8.190 nan 0.000 0.428 620 I N 1.414 122.017 120.570 0.056 0.000 4.197 620 I HA 0.304 4.474 4.170 -0.000 0.000 0.307 620 I C 0.405 176.548 176.117 0.044 0.000 1.236 620 I CA 0.748 62.072 61.300 0.040 0.000 1.321 620 I CB 0.417 38.432 38.000 0.025 0.000 1.309 620 I HN 0.715 nan 8.210 nan 0.000 0.450 621 N N 0.989 119.721 118.700 0.053 0.000 2.648 621 N HA 0.128 4.868 4.740 -0.000 0.000 0.272 621 N C -1.545 174.009 175.510 0.072 0.000 1.118 621 N CA 0.163 53.248 53.050 0.059 0.000 0.973 621 N CB 1.884 40.399 38.487 0.047 0.000 1.565 621 N HN -0.225 nan 8.380 nan 0.000 0.542 622 S N 1.272 117.031 115.700 0.098 0.000 2.480 622 S HA 0.636 5.106 4.470 -0.000 0.000 0.286 622 S C -0.345 174.329 174.600 0.124 0.000 1.180 622 S CA -0.411 57.864 58.200 0.126 0.000 1.075 622 S CB 1.375 64.699 63.200 0.207 0.000 0.996 622 S HN 0.580 nan 8.310 nan 0.000 0.487 623 S N 0.756 116.553 115.700 0.161 0.000 2.607 623 S HA 0.463 4.933 4.470 -0.000 0.000 0.273 623 S C 0.853 175.593 174.600 0.234 0.000 1.148 623 S CA -0.361 57.937 58.200 0.164 0.000 0.833 623 S CB 1.133 64.424 63.200 0.150 0.000 1.130 623 S HN 0.752 nan 8.310 nan 0.000 0.470 624 T N -0.106 114.547 114.554 0.165 0.000 3.160 624 T HA 0.212 4.562 4.350 -0.000 0.000 0.257 624 T C 0.817 175.679 174.700 0.270 0.000 1.147 624 T CA 0.841 63.028 62.100 0.146 0.000 1.064 624 T CB -0.306 68.612 68.868 0.083 0.000 0.949 624 T HN 0.635 nan 8.240 nan 0.000 0.526 625 E N 0.716 121.095 120.200 0.297 0.000 2.152 625 E HA 0.449 4.799 4.350 -0.000 0.000 0.195 625 E C 0.964 177.625 176.600 0.101 0.000 0.934 625 E CA 0.090 56.636 56.400 0.243 0.000 0.869 625 E CB 0.502 30.305 29.700 0.171 0.000 0.842 625 E HN 0.550 nan 8.360 nan 0.000 0.472 626 G N 0.631 109.405 108.800 -0.044 0.000 2.596 626 G HA2 0.393 4.353 3.960 -0.000 0.000 0.296 626 G HA3 0.393 4.353 3.960 -0.000 0.000 0.296 626 G C -1.401 173.288 174.900 -0.350 0.000 1.513 626 G CA -0.913 43.746 45.100 -0.735 0.000 0.851 626 G HN -0.039 nan 8.290 nan 0.000 0.548 627 L N 0.759 121.653 121.223 -0.548 0.000 2.397 627 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 627 L C -0.211 176.572 176.870 -0.146 0.000 1.148 627 L CA -0.777 53.888 54.840 -0.291 0.000 0.825 627 L CB 1.383 43.144 42.059 -0.495 0.000 1.117 627 L HN 0.414 nan 8.230 nan 0.000 0.456 628 L N 4.101 125.329 121.223 0.008 0.000 2.316 628 L HA 0.568 4.908 4.340 -0.000 0.000 0.280 628 L C -0.928 175.955 176.870 0.022 0.000 1.006 628 L CA -0.051 54.852 54.840 0.105 0.000 0.836 628 L CB 1.144 43.285 42.059 0.137 0.000 1.221 628 L HN 0.331 nan 8.230 nan 0.000 0.418 629 L N 3.730 124.953 121.223 0.001 0.000 2.256 629 L HA 0.575 4.915 4.340 -0.000 0.000 0.261 629 L C 0.219 177.085 176.870 -0.006 0.000 1.022 629 L CA -0.422 54.412 54.840 -0.010 0.000 0.828 629 L CB 1.563 43.597 42.059 -0.042 0.000 1.374 629 L HN 0.568 nan 8.230 nan 0.000 0.436 630 N N 0.114 118.806 118.700 -0.013 0.000 2.610 630 N HA 0.388 5.128 4.740 -0.000 0.000 0.309 630 N C -0.649 174.838 175.510 -0.038 0.000 1.536 630 N CA -0.169 52.873 53.050 -0.014 0.000 0.954 630 N CB -0.151 38.334 38.487 -0.003 0.000 1.310 630 N HN 0.467 nan 8.380 nan 0.000 0.502 631 I N 0.012 120.535 120.570 -0.079 0.000 2.880 631 I HA -0.118 4.052 4.170 -0.000 0.000 0.296 631 I C 0.773 176.845 176.117 -0.075 0.000 1.220 631 I CA 0.177 61.386 61.300 -0.153 0.000 1.435 631 I CB 0.228 38.083 38.000 -0.242 0.000 1.339 631 I HN 0.334 nan 8.210 nan 0.000 0.583 632 D N 5.497 125.858 120.400 -0.065 0.000 2.425 632 D HA -0.003 4.637 4.640 -0.000 0.000 0.247 632 D C 0.979 177.292 176.300 0.021 0.000 1.147 632 D CA -0.129 53.870 54.000 -0.002 0.000 0.879 632 D CB 0.914 41.729 40.800 0.024 0.000 1.179 632 D HN 0.265 nan 8.370 nan 0.000 0.456 633 K N 3.032 123.451 120.400 0.031 0.000 1.991 633 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 633 K C 1.366 177.995 176.600 0.050 0.000 1.049 633 K CA 1.476 57.783 56.287 0.033 0.000 0.932 633 K CB -0.532 31.985 32.500 0.028 0.000 0.717 633 K HN 0.533 nan 8.250 nan 0.000 0.441 634 D N 0.693 121.144 120.400 0.085 0.000 2.203 634 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 634 D C 1.807 178.233 176.300 0.210 0.000 0.997 634 D CA 0.890 54.969 54.000 0.131 0.000 0.863 634 D CB 0.000 40.964 40.800 0.273 0.000 0.928 634 D HN 0.103 nan 8.370 nan 0.000 0.458 635 I N 0.554 121.261 120.570 0.229 0.000 2.260 635 I HA -0.088 4.082 4.170 -0.000 0.000 0.237 635 I C 2.428 178.636 176.117 0.151 0.000 1.075 635 I CA 0.739 62.200 61.300 0.268 0.000 1.376 635 I CB -1.190 36.919 38.000 0.181 0.000 1.107 635 I HN 0.095 nan 8.210 nan 0.000 0.420 636 R N 1.946 122.501 120.500 0.092 0.000 2.198 636 R HA -0.273 4.067 4.340 -0.000 0.000 0.258 636 R C 1.944 178.265 176.300 0.035 0.000 1.173 636 R CA 2.248 58.390 56.100 0.070 0.000 0.991 636 R CB -0.833 29.493 30.300 0.044 0.000 0.879 636 R HN 0.291 nan 8.270 nan 0.000 0.460 637 K N 1.633 122.039 120.400 0.010 0.000 2.442 637 K HA -0.034 4.286 4.320 -0.000 0.000 0.198 637 K C 1.605 178.173 176.600 -0.053 0.000 1.042 637 K CA 1.158 57.424 56.287 -0.036 0.000 0.958 637 K CB -0.013 32.439 32.500 -0.080 0.000 0.766 637 K HN 0.647 nan 8.250 nan 0.000 0.474 638 I N -1.248 119.312 120.570 -0.017 0.000 3.914 638 I HA 0.239 4.409 4.170 -0.000 0.000 0.333 638 I C -0.836 175.280 176.117 -0.001 0.000 1.449 638 I CA -0.675 60.616 61.300 -0.015 0.000 1.135 638 I CB 0.361 38.385 38.000 0.039 0.000 1.073 638 I HN -0.174 nan 8.210 nan 0.000 0.401 639 L N 1.118 122.335 121.223 -0.010 0.000 2.313 639 L HA 0.363 4.703 4.340 -0.000 0.000 0.283 639 L C 1.299 178.112 176.870 -0.095 0.000 1.013 639 L CA 0.169 54.977 54.840 -0.054 0.000 0.816 639 L CB 1.549 43.569 42.059 -0.066 0.000 1.236 639 L HN 0.165 nan 8.230 nan 0.000 0.419 640 S N 2.250 117.895 115.700 -0.092 0.000 2.362 640 S HA 0.278 4.748 4.470 -0.000 0.000 0.221 640 S C 0.681 175.235 174.600 -0.077 0.000 1.032 640 S CA 0.878 59.050 58.200 -0.046 0.000 0.973 640 S CB 0.383 63.572 63.200 -0.020 0.000 0.849 640 S HN 0.915 nan 8.310 nan 0.000 0.465 641 G N -1.232 107.452 108.800 -0.194 0.000 2.489 641 G HA2 0.518 4.478 3.960 -0.000 0.000 0.305 641 G HA3 0.518 4.478 3.960 -0.000 0.000 0.305 641 G C -2.249 172.407 174.900 -0.407 0.000 1.311 641 G CA -0.711 44.212 45.100 -0.293 0.000 0.813 641 G HN 0.187 nan 8.290 nan 0.000 0.480 642 Y N -0.685 119.669 120.300 0.091 0.000 2.462 642 Y HA 0.665 5.215 4.550 -0.000 0.000 0.346 642 Y C 0.229 176.187 175.900 0.097 0.000 0.976 642 Y CA -1.031 57.124 58.100 0.092 0.000 1.044 642 Y CB 2.177 40.674 38.460 0.061 0.000 1.230 642 Y HN 0.376 nan 8.280 nan 0.000 0.455 643 I N 3.794 124.537 120.570 0.287 0.000 2.307 643 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 643 I C -0.782 175.396 176.117 0.102 0.000 1.021 643 I CA -0.864 60.554 61.300 0.196 0.000 1.224 643 I CB 0.851 39.009 38.000 0.263 0.000 1.376 643 I HN 0.238 nan 8.210 nan 0.000 0.470 644 V N 6.997 126.975 119.914 0.106 0.000 2.432 644 V HA 0.283 4.403 4.120 -0.000 0.000 0.271 644 V C 0.266 176.353 176.094 -0.011 0.000 1.046 644 V CA -0.212 62.126 62.300 0.063 0.000 0.945 644 V CB 0.771 32.723 31.823 0.215 0.000 0.992 644 V HN 0.907 nan 8.190 nan 0.000 0.471 645 E N 5.364 125.502 120.200 -0.104 0.000 2.433 645 E HA 0.811 5.161 4.350 -0.000 0.000 0.264 645 E C -1.343 175.200 176.600 -0.096 0.000 0.960 645 E CA -1.087 55.268 56.400 -0.075 0.000 0.866 645 E CB 2.444 32.118 29.700 -0.045 0.000 1.615 645 E HN 0.395 nan 8.360 nan 0.000 0.442 646 I N 0.643 121.175 120.570 -0.062 0.000 2.571 646 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 646 I C -1.184 174.874 176.117 -0.099 0.000 1.134 646 I CA -0.551 60.712 61.300 -0.063 0.000 1.052 646 I CB 2.156 40.144 38.000 -0.020 0.000 1.237 646 I HN 0.611 nan 8.210 nan 0.000 0.435 647 E N 6.278 126.418 120.200 -0.099 0.000 2.146 647 E HA 0.126 4.476 4.350 -0.000 0.000 0.282 647 E C -0.768 175.677 176.600 -0.259 0.000 0.989 647 E CA -0.555 55.771 56.400 -0.124 0.000 0.799 647 E CB 1.247 30.919 29.700 -0.046 0.000 1.088 647 E HN 0.515 nan 8.360 nan 0.000 0.397 648 D N 2.674 122.857 120.400 -0.361 0.000 2.368 648 D HA -0.067 4.573 4.640 -0.000 0.000 0.240 648 D C 1.031 177.194 176.300 -0.230 0.000 1.169 648 D CA 0.320 53.990 54.000 -0.549 0.000 0.906 648 D CB 1.401 41.956 40.800 -0.408 0.000 1.187 648 D HN 0.636 nan 8.370 nan 0.000 0.435 649 T N -0.180 114.306 114.554 -0.113 0.000 2.996 649 T HA -0.191 4.159 4.350 -0.000 0.000 0.271 649 T C 1.358 176.054 174.700 -0.006 0.000 1.126 649 T CA 1.414 63.529 62.100 0.026 0.000 1.103 649 T CB 0.047 68.981 68.868 0.110 0.000 0.870 649 T HN 0.589 nan 8.240 nan 0.000 0.528 650 E N 1.337 121.512 120.200 -0.042 0.000 2.110 650 E HA 0.299 4.649 4.350 -0.000 0.000 0.193 650 E C 1.326 177.905 176.600 -0.033 0.000 0.950 650 E CA 0.579 56.961 56.400 -0.030 0.000 0.840 650 E CB 0.176 29.858 29.700 -0.032 0.000 0.809 650 E HN 0.559 nan 8.360 nan 0.000 0.465 651 G N 1.261 110.029 108.800 -0.054 0.000 3.198 651 G HA2 0.080 4.040 3.960 -0.000 0.000 0.228 651 G HA3 0.080 4.040 3.960 -0.000 0.000 0.228 651 G C -0.589 174.283 174.900 -0.046 0.000 1.499 651 G CA -0.556 44.520 45.100 -0.040 0.000 1.104 651 G HN 0.061 nan 8.290 nan 0.000 0.563 652 L N 0.390 121.566 121.223 -0.078 0.000 2.379 652 L HA 0.579 4.919 4.340 -0.000 0.000 0.269 652 L C 0.340 177.177 176.870 -0.054 0.000 1.084 652 L CA -0.809 53.987 54.840 -0.074 0.000 0.802 652 L CB 1.319 43.310 42.059 -0.114 0.000 1.175 652 L HN -0.127 nan 8.230 nan 0.000 0.448 653 K N 2.456 122.842 120.400 -0.025 0.000 3.082 653 K HA 0.259 4.579 4.320 -0.000 0.000 0.203 653 K C -0.670 175.934 176.600 0.008 0.000 1.177 653 K CA -0.142 56.151 56.287 0.009 0.000 1.041 653 K CB 0.479 32.998 32.500 0.032 0.000 1.312 653 K HN 0.539 nan 8.250 nan 0.000 0.526 654 E N 1.049 121.238 120.200 -0.018 0.000 2.257 654 E HA 0.149 4.499 4.350 -0.000 0.000 0.278 654 E C -0.317 176.287 176.600 0.006 0.000 1.049 654 E CA -0.200 56.195 56.400 -0.008 0.000 0.876 654 E CB 1.206 30.893 29.700 -0.022 0.000 1.035 654 E HN -0.073 nan 8.360 nan 0.000 0.419 655 V N 5.173 125.100 119.914 0.020 0.000 2.513 655 V HA 0.152 4.272 4.120 -0.000 0.000 0.299 655 V C 1.014 177.122 176.094 0.023 0.000 1.035 655 V CA -0.681 61.635 62.300 0.027 0.000 0.889 655 V CB 1.356 33.207 31.823 0.048 0.000 0.988 655 V HN 0.616 nan 8.190 nan 0.000 0.440 656 I N 2.918 123.505 120.570 0.028 0.000 2.623 656 I HA -0.027 4.143 4.170 -0.000 0.000 0.214 656 I C 1.335 177.462 176.117 0.016 0.000 1.055 656 I CA 0.798 62.123 61.300 0.043 0.000 1.386 656 I CB -0.781 37.267 38.000 0.080 0.000 1.217 656 I HN 0.839 nan 8.210 nan 0.000 0.405 657 N N 2.850 121.556 118.700 0.010 0.000 2.410 657 N HA -0.110 4.630 4.740 -0.000 0.000 0.281 657 N C -0.127 175.318 175.510 -0.109 0.000 1.241 657 N CA 0.260 53.230 53.050 -0.132 0.000 0.998 657 N CB 0.278 38.626 38.487 -0.230 0.000 1.376 657 N HN 0.395 nan 8.380 nan 0.000 0.490 658 D N 1.438 121.782 120.400 -0.093 0.000 2.339 658 D HA 0.044 4.684 4.640 -0.000 0.000 0.217 658 D C -0.145 176.109 176.300 -0.076 0.000 1.050 658 D CA -0.006 53.963 54.000 -0.051 0.000 0.856 658 D CB 0.445 41.231 40.800 -0.023 0.000 0.922 658 D HN 0.383 nan 8.370 nan 0.000 0.518 659 R N 0.155 120.554 120.500 -0.168 0.000 2.368 659 R HA 0.152 4.492 4.340 -0.000 0.000 0.302 659 R C 0.770 176.934 176.300 -0.227 0.000 1.002 659 R CA -0.601 55.367 56.100 -0.221 0.000 0.929 659 R CB 0.670 30.770 30.300 -0.332 0.000 1.073 659 R HN 0.198 nan 8.270 nan 0.000 0.464 660 Y N 1.358 121.620 120.300 -0.062 0.000 2.219 660 Y HA -0.268 4.282 4.550 -0.000 0.000 0.283 660 Y C 0.878 176.736 175.900 -0.071 0.000 1.191 660 Y CA 1.833 59.918 58.100 -0.024 0.000 1.199 660 Y CB -0.544 37.925 38.460 0.015 0.000 0.972 660 Y HN 0.618 nan 8.280 nan 0.000 0.527 661 D N -0.493 119.560 120.400 -0.577 0.000 2.328 661 D HA 0.023 4.663 4.640 -0.000 0.000 0.226 661 D C 0.830 176.920 176.300 -0.351 0.000 1.066 661 D CA 0.411 54.154 54.000 -0.428 0.000 0.861 661 D CB -0.529 39.939 40.800 -0.552 0.000 0.912 661 D HN 0.515 nan 8.370 nan 0.000 0.521 662 M N 0.238 119.582 119.600 -0.427 0.000 2.673 662 M HA 0.284 4.764 4.480 -0.000 0.000 0.334 662 M C 0.629 176.716 176.300 -0.355 0.000 1.211 662 M CA -0.089 54.730 55.300 -0.802 0.000 0.962 662 M CB 0.580 32.511 32.600 -1.115 0.000 1.343 662 M HN 0.045 nan 8.290 nan 0.000 0.511 663 L N -0.444 120.724 121.223 -0.091 0.000 2.446 663 L HA 0.070 4.410 4.340 -0.000 0.000 0.219 663 L C 1.375 178.312 176.870 0.111 0.000 1.116 663 L CA 0.132 54.997 54.840 0.042 0.000 0.844 663 L CB -0.303 41.799 42.059 0.072 0.000 0.970 663 L HN 0.388 nan 8.230 nan 0.000 0.457 664 N N 2.001 120.786 118.700 0.142 0.000 2.454 664 N HA -0.011 4.729 4.740 -0.000 0.000 0.285 664 N C 0.479 176.080 175.510 0.151 0.000 1.233 664 N CA 0.357 53.484 53.050 0.128 0.000 1.036 664 N CB 0.494 39.039 38.487 0.097 0.000 1.423 664 N HN 0.459 nan 8.380 nan 0.000 0.495 665 I N -0.386 120.238 120.570 0.091 0.000 3.990 665 I HA 0.170 4.340 4.170 -0.000 0.000 0.275 665 I C 0.388 176.486 176.117 -0.030 0.000 1.157 665 I CA -0.463 60.848 61.300 0.018 0.000 1.338 665 I CB -0.629 37.415 38.000 0.073 0.000 1.588 665 I HN 0.191 nan 8.210 nan 0.000 0.441 666 S N 3.067 118.804 115.700 0.061 0.000 2.737 666 S HA 0.192 4.662 4.470 -0.000 0.000 0.315 666 S C 0.220 174.834 174.600 0.023 0.000 1.236 666 S CA -0.339 57.912 58.200 0.085 0.000 1.093 666 S CB -0.083 63.240 63.200 0.205 0.000 0.832 666 S HN 0.454 nan 8.310 nan 0.000 0.507 667 S N 2.365 118.065 115.700 0.000 0.000 2.623 667 S HA 0.825 5.295 4.470 -0.000 0.000 0.287 667 S C -0.557 174.092 174.600 0.081 0.000 1.123 667 S CA -0.859 57.371 58.200 0.050 0.000 1.016 667 S CB 0.660 63.929 63.200 0.115 0.000 1.233 667 S HN 0.960 nan 8.310 nan 0.000 0.512 668 L N 1.419 122.696 121.223 0.091 0.000 2.849 668 L HA 0.369 4.709 4.340 -0.000 0.000 0.256 668 L C -1.056 175.841 176.870 0.045 0.000 0.951 668 L CA -0.072 54.809 54.840 0.068 0.000 1.003 668 L CB 0.928 43.011 42.059 0.040 0.000 1.408 668 L HN 0.522 nan 8.230 nan 0.000 0.463 669 R N 2.070 122.593 120.500 0.038 0.000 2.641 669 R HA 0.247 4.587 4.340 -0.000 0.000 0.269 669 R C 0.652 176.946 176.300 -0.009 0.000 1.074 669 R CA 0.068 56.165 56.100 -0.006 0.000 1.133 669 R CB 0.575 30.851 30.300 -0.039 0.000 1.029 669 R HN 0.685 nan 8.270 nan 0.000 0.488 670 Q N 0.707 120.495 119.800 -0.020 0.000 2.541 670 Q HA -0.116 4.224 4.340 -0.000 0.000 0.215 670 Q C 0.100 176.089 176.000 -0.019 0.000 0.977 670 Q CA 1.613 57.404 55.803 -0.019 0.000 0.934 670 Q CB -0.141 28.583 28.738 -0.025 0.000 0.988 670 Q HN 0.694 nan 8.270 nan 0.000 0.521 671 D N -1.334 119.054 120.400 -0.020 0.000 2.339 671 D HA 0.169 4.809 4.640 -0.000 0.000 0.217 671 D C 1.103 177.396 176.300 -0.011 0.000 1.050 671 D CA 0.431 54.419 54.000 -0.019 0.000 0.856 671 D CB 0.024 40.807 40.800 -0.027 0.000 0.922 671 D HN 0.297 nan 8.370 nan 0.000 0.518 672 G N -0.086 108.710 108.800 -0.006 0.000 2.141 672 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.231 672 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.231 672 G C -0.093 174.810 174.900 0.004 0.000 0.984 672 G CA -0.086 45.014 45.100 0.000 0.000 0.660 672 G HN 0.419 nan 8.290 nan 0.000 0.525 673 K N 1.068 121.473 120.400 0.008 0.000 2.274 673 K HA 0.505 4.825 4.320 -0.000 0.000 0.262 673 K C -0.187 176.440 176.600 0.045 0.000 0.961 673 K CA -0.524 55.773 56.287 0.017 0.000 0.833 673 K CB 1.515 34.021 32.500 0.011 0.000 1.102 673 K HN 0.072 nan 8.250 nan 0.000 0.436 674 T N 3.284 117.864 114.554 0.043 0.000 2.769 674 T HA 0.062 4.412 4.350 -0.000 0.000 0.293 674 T C -0.616 174.145 174.700 0.101 0.000 0.931 674 T CA 0.053 62.193 62.100 0.066 0.000 1.139 674 T CB -0.224 68.674 68.868 0.050 0.000 0.881 674 T HN 0.270 nan 8.240 nan 0.000 0.532 675 F N 5.891 125.808 119.950 -0.054 0.000 2.361 675 F HA 0.537 5.064 4.527 -0.000 0.000 0.364 675 F C -0.373 175.354 175.800 -0.121 0.000 1.120 675 F CA -1.877 56.066 58.000 -0.095 0.000 1.102 675 F CB 0.047 38.996 39.000 -0.085 0.000 1.183 675 F HN 0.424 nan 8.300 nan 0.000 0.476 676 I N 4.339 124.483 120.570 -0.710 0.000 2.713 676 I HA 0.285 4.455 4.170 -0.000 0.000 0.300 676 I C -0.811 174.522 176.117 -1.306 0.000 1.009 676 I CA -0.500 60.328 61.300 -0.787 0.000 1.305 676 I CB 1.492 39.106 38.000 -0.643 0.000 1.430 676 I HN 0.511 nan 8.210 nan 0.000 0.546 677 D N 2.231 122.046 120.400 -0.976 0.000 2.970 677 D HA 0.339 4.979 4.640 -0.000 0.000 0.230 677 D C -0.199 175.752 176.300 -0.581 0.000 1.276 677 D CA -0.426 53.051 54.000 -0.872 0.000 0.910 677 D CB 1.104 41.555 40.800 -0.582 0.000 1.590 677 D HN 0.246 nan 8.370 nan 0.000 0.551 678 F N 1.998 121.868 119.950 -0.133 0.000 2.473 678 F HA 0.213 4.740 4.527 -0.000 0.000 0.294 678 F C 2.149 177.940 175.800 -0.015 0.000 1.103 678 F CA 0.161 58.134 58.000 -0.044 0.000 1.442 678 F CB -0.224 38.757 39.000 -0.032 0.000 1.097 678 F HN 0.278 nan 8.300 nan 0.000 0.547 679 K N 0.894 121.354 120.400 0.100 0.000 2.152 679 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 679 K C 1.950 178.534 176.600 -0.027 0.000 1.048 679 K CA 1.220 57.540 56.287 0.055 0.000 0.933 679 K CB -0.280 32.241 32.500 0.036 0.000 0.721 679 K HN 0.182 nan 8.250 nan 0.000 0.447 680 K N 0.161 120.480 120.400 -0.135 0.000 2.360 680 K HA -0.156 4.164 4.320 -0.000 0.000 0.201 680 K C -0.190 176.116 176.600 -0.490 0.000 1.046 680 K CA 1.143 57.228 56.287 -0.336 0.000 0.940 680 K CB 0.149 32.371 32.500 -0.463 0.000 0.748 680 K HN 0.107 nan 8.250 nan 0.000 0.465 681 Y N -0.475 119.836 120.300 0.018 0.000 2.558 681 Y HA 0.244 4.794 4.550 -0.000 0.000 0.316 681 Y C -0.860 175.061 175.900 0.035 0.000 0.967 681 Y CA -1.119 56.993 58.100 0.020 0.000 1.126 681 Y CB 0.577 39.047 38.460 0.017 0.000 1.155 681 Y HN 0.002 nan 8.280 nan 0.000 0.628 682 N N 0.983 119.771 118.700 0.147 0.000 2.861 682 N HA 0.069 4.809 4.740 -0.000 0.000 0.203 682 N C -1.159 174.389 175.510 0.064 0.000 1.339 682 N CA 0.060 53.174 53.050 0.106 0.000 1.208 682 N CB 0.095 38.653 38.487 0.118 0.000 1.579 682 N HN 0.253 nan 8.380 nan 0.000 0.583 683 D N 1.826 122.257 120.400 0.051 0.000 2.751 683 D HA -0.230 4.410 4.640 -0.000 0.000 0.233 683 D C -0.261 176.051 176.300 0.021 0.000 1.149 683 D CA 1.294 55.311 54.000 0.028 0.000 0.682 683 D CB -0.454 40.355 40.800 0.015 0.000 1.068 683 D HN 0.768 nan 8.370 nan 0.000 0.429 684 K N -2.214 118.197 120.400 0.017 0.000 3.274 684 K HA -0.236 4.084 4.320 -0.000 0.000 0.305 684 K C 0.432 177.048 176.600 0.026 0.000 1.225 684 K CA 0.938 57.231 56.287 0.010 0.000 0.904 684 K CB -0.977 31.523 32.500 0.001 0.000 1.227 684 K HN 0.447 nan 8.250 nan 0.000 0.453 685 L N 1.095 122.341 121.223 0.039 0.000 2.325 685 L HA 0.436 4.776 4.340 -0.000 0.000 0.278 685 L C -1.649 175.267 176.870 0.077 0.000 1.023 685 L CA -2.450 52.419 54.840 0.048 0.000 0.811 685 L CB 1.011 43.090 42.059 0.034 0.000 1.249 685 L HN -0.178 nan 8.230 nan 0.000 0.431 686 P HA -0.002 nan 4.420 nan 0.000 0.272 686 P C -0.174 177.198 177.300 0.120 0.000 1.248 686 P CA -0.349 62.823 63.100 0.120 0.000 0.799 686 P CB 0.672 32.436 31.700 0.107 0.000 0.997 687 L N -0.521 120.768 121.223 0.110 0.000 2.503 687 L HA -0.057 4.283 4.340 -0.000 0.000 0.287 687 L C 0.678 177.629 176.870 0.135 0.000 1.252 687 L CA 0.378 55.257 54.840 0.064 0.000 0.835 687 L CB -0.493 41.529 42.059 -0.062 0.000 1.099 687 L HN 0.425 nan 8.230 nan 0.000 0.516 688 Y N 2.945 123.238 120.300 -0.011 0.000 2.447 688 Y HA 0.473 5.023 4.550 -0.000 0.000 0.325 688 Y C -0.408 175.489 175.900 -0.006 0.000 0.976 688 Y CA -1.019 57.081 58.100 0.000 0.000 1.280 688 Y CB 0.578 39.047 38.460 0.016 0.000 1.104 688 Y HN 0.291 nan 8.280 nan 0.000 0.486 689 I N 5.543 125.918 120.570 -0.325 0.000 2.377 689 I HA 0.142 4.312 4.170 -0.000 0.000 0.282 689 I C 1.131 176.912 176.117 -0.561 0.000 1.091 689 I CA -0.204 60.852 61.300 -0.407 0.000 1.207 689 I CB 1.143 39.005 38.000 -0.230 0.000 1.429 689 I HN 0.652 nan 8.210 nan 0.000 0.491 690 S N 4.157 119.382 115.700 -0.792 0.000 2.423 690 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 690 S C 0.897 175.241 174.600 -0.428 0.000 1.014 690 S CA 1.113 58.972 58.200 -0.569 0.000 0.965 690 S CB -0.004 62.939 63.200 -0.427 0.000 0.785 690 S HN 0.695 nan 8.310 nan 0.000 0.495 691 N N 0.608 118.900 118.700 -0.680 0.000 2.581 691 N HA 0.268 5.008 4.740 -0.000 0.000 0.279 691 N C -3.118 171.978 175.510 -0.689 0.000 1.124 691 N CA -1.587 51.062 53.050 -0.669 0.000 0.833 691 N CB 1.983 40.019 38.487 -0.753 0.000 1.338 691 N HN 0.057 nan 8.380 nan 0.000 0.533 692 P HA 0.161 nan 4.420 nan 0.000 0.246 692 P C -0.739 176.559 177.300 -0.002 0.000 1.675 692 P CA 0.212 63.221 63.100 -0.153 0.000 0.908 692 P CB -0.426 31.238 31.700 -0.060 0.000 1.890 693 N N -1.875 116.775 118.700 -0.083 0.000 2.081 693 N HA 0.121 4.861 4.740 -0.000 0.000 0.230 693 N C 0.303 175.945 175.510 0.220 0.000 1.351 693 N CA -0.291 52.830 53.050 0.118 0.000 0.840 693 N CB 0.126 38.642 38.487 0.047 0.000 1.189 693 N HN 0.242 nan 8.380 nan 0.000 0.503 694 Y N 1.216 121.526 120.300 0.016 0.000 2.557 694 Y HA 0.326 4.876 4.550 -0.000 0.000 0.436 694 Y C 0.384 176.267 175.900 -0.029 0.000 1.403 694 Y CA -0.610 57.480 58.100 -0.016 0.000 1.960 694 Y CB 0.598 39.031 38.460 -0.046 0.000 1.785 694 Y HN -0.380 nan 8.280 nan 0.000 0.640 695 K N 0.754 121.239 120.400 0.141 0.000 2.705 695 K HA 0.257 4.577 4.320 -0.000 0.000 0.238 695 K C -1.702 174.891 176.600 -0.012 0.000 0.996 695 K CA -0.367 55.934 56.287 0.024 0.000 1.007 695 K CB 1.791 34.290 32.500 -0.002 0.000 1.206 695 K HN 0.211 nan 8.250 nan 0.000 0.488 696 V N 3.623 123.524 119.914 -0.022 0.000 2.382 696 V HA -0.037 4.083 4.120 -0.000 0.000 0.250 696 V C 0.131 176.198 176.094 -0.045 0.000 1.069 696 V CA -0.051 62.213 62.300 -0.061 0.000 1.130 696 V CB -0.762 31.007 31.823 -0.090 0.000 1.165 696 V HN 0.601 nan 8.190 nan 0.000 0.483 697 N N 4.200 122.816 118.700 -0.140 0.000 2.415 697 N HA 0.239 4.979 4.740 -0.000 0.000 0.246 697 N C -0.537 174.671 175.510 -0.503 0.000 1.078 697 N CA -0.107 52.767 53.050 -0.293 0.000 0.942 697 N CB 1.913 40.192 38.487 -0.347 0.000 1.140 697 N HN 0.362 nan 8.380 nan 0.000 0.501 698 V N 4.587 124.329 119.914 -0.287 0.000 2.311 698 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 698 V C -0.410 175.585 176.094 -0.165 0.000 1.022 698 V CA -0.664 61.516 62.300 -0.201 0.000 0.830 698 V CB -0.278 31.537 31.823 -0.013 0.000 1.012 698 V HN 0.408 nan 8.190 nan 0.000 0.452 699 Y N 2.488 122.864 120.300 0.126 0.000 2.408 699 Y HA 0.792 5.342 4.550 -0.000 0.000 0.324 699 Y C 0.597 176.655 175.900 0.263 0.000 1.302 699 Y CA -1.174 57.000 58.100 0.124 0.000 1.384 699 Y CB 0.983 39.497 38.460 0.090 0.000 1.367 699 Y HN 0.622 nan 8.280 nan 0.000 0.525 700 A N 0.163 123.229 122.820 0.409 0.000 2.386 700 A HA 0.779 5.099 4.320 -0.000 0.000 0.311 700 A C -1.749 175.929 177.584 0.156 0.000 1.068 700 A CA -0.702 51.573 52.037 0.397 0.000 0.743 700 A CB 1.097 20.305 19.000 0.345 0.000 1.258 700 A HN 0.458 nan 8.150 nan 0.000 0.429 701 V N 2.573 122.515 119.914 0.047 0.000 2.376 701 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 701 V C 0.607 176.686 176.094 -0.025 0.000 1.015 701 V CA -0.252 62.057 62.300 0.015 0.000 0.834 701 V CB 1.259 33.098 31.823 0.028 0.000 1.001 701 V HN 1.107 nan 8.190 nan 0.000 0.428 702 T N 1.530 116.073 114.554 -0.018 0.000 2.900 702 T HA 0.205 4.555 4.350 -0.000 0.000 0.307 702 T C 1.141 175.818 174.700 -0.038 0.000 1.065 702 T CA -0.276 61.808 62.100 -0.026 0.000 1.105 702 T CB 1.056 69.903 68.868 -0.035 0.000 0.979 702 T HN 0.600 nan 8.240 nan 0.000 0.544 703 K N 1.107 121.482 120.400 -0.043 0.000 2.020 703 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 703 K C 2.484 179.052 176.600 -0.052 0.000 1.050 703 K CA 2.159 58.412 56.287 -0.057 0.000 0.929 703 K CB -0.305 32.164 32.500 -0.051 0.000 0.714 703 K HN 0.948 nan 8.250 nan 0.000 0.443 704 E N 0.754 120.936 120.200 -0.029 0.000 2.187 704 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 704 E C 1.488 178.076 176.600 -0.019 0.000 1.004 704 E CA 1.481 57.875 56.400 -0.010 0.000 0.813 704 E CB -0.204 29.510 29.700 0.025 0.000 0.736 704 E HN 0.291 nan 8.360 nan 0.000 0.468 705 N N 0.503 119.187 118.700 -0.027 0.000 2.349 705 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 705 N C 0.749 176.234 175.510 -0.041 0.000 1.024 705 N CA 0.974 54.007 53.050 -0.028 0.000 0.869 705 N CB -0.452 38.022 38.487 -0.021 0.000 1.022 705 N HN 0.148 nan 8.380 nan 0.000 0.433 706 T N 2.230 116.755 114.554 -0.048 0.000 2.902 706 T HA 0.043 4.393 4.350 -0.000 0.000 0.317 706 T C 0.487 175.126 174.700 -0.102 0.000 1.064 706 T CA 0.113 62.179 62.100 -0.056 0.000 1.130 706 T CB -0.140 68.677 68.868 -0.086 0.000 1.073 706 T HN 0.166 nan 8.240 nan 0.000 0.524 707 I N 2.541 123.065 120.570 -0.076 0.000 2.707 707 I HA 0.558 4.728 4.170 -0.000 0.000 0.309 707 I C 0.480 176.482 176.117 -0.192 0.000 1.001 707 I CA -1.153 60.060 61.300 -0.146 0.000 1.129 707 I CB 1.662 39.579 38.000 -0.138 0.000 1.308 707 I HN 0.565 nan 8.210 nan 0.000 0.466 708 I N -0.529 119.849 120.570 -0.319 0.000 4.526 708 I HA 0.474 4.644 4.170 -0.000 0.000 0.330 708 I C -0.332 175.399 176.117 -0.643 0.000 1.323 708 I CA -0.148 60.979 61.300 -0.290 0.000 1.218 708 I CB -0.753 37.121 38.000 -0.210 0.000 1.233 708 I HN 0.604 nan 8.210 nan 0.000 0.430 709 N N 0.578 118.811 118.700 -0.778 0.000 2.329 709 N HA 0.625 5.365 4.740 -0.000 0.000 0.282 709 N C -2.808 172.354 175.510 -0.579 0.000 1.198 709 N CA -1.260 51.365 53.050 -0.708 0.000 0.790 709 N CB 1.620 39.897 38.487 -0.350 0.000 1.579 709 N HN -0.201 nan 8.380 nan 0.000 0.475 710 P HA 0.113 nan 4.420 nan 0.000 0.270 710 P C -0.394 176.861 177.300 -0.075 0.000 1.227 710 P CA 0.043 63.121 63.100 -0.038 0.000 0.788 710 P CB 0.481 32.228 31.700 0.079 0.000 0.926 711 S N 0.719 116.400 115.700 -0.031 0.000 2.641 711 S HA 0.015 4.485 4.470 -0.000 0.000 0.261 711 S C 1.408 175.992 174.600 -0.027 0.000 1.257 711 S CA -0.578 57.601 58.200 -0.036 0.000 0.983 711 S CB 0.070 63.259 63.200 -0.018 0.000 0.990 711 S HN 0.450 nan 8.310 nan 0.000 0.572 712 E N 1.330 121.515 120.200 -0.026 0.000 2.279 712 E HA -0.232 4.118 4.350 -0.000 0.000 0.205 712 E C 1.071 177.664 176.600 -0.011 0.000 1.028 712 E CA 1.840 58.228 56.400 -0.020 0.000 0.830 712 E CB -0.583 29.107 29.700 -0.017 0.000 0.736 712 E HN 0.675 nan 8.360 nan 0.000 0.478 713 N N -0.873 117.824 118.700 -0.005 0.000 1.746 713 N HA 0.156 4.896 4.740 -0.000 0.000 0.227 713 N C 1.169 176.684 175.510 0.009 0.000 1.154 713 N CA 0.606 53.657 53.050 0.002 0.000 1.033 713 N CB -0.513 37.977 38.487 0.004 0.000 1.387 713 N HN -0.010 nan 8.380 nan 0.000 0.443 714 G N -1.547 107.263 108.800 0.016 0.000 5.021 714 G HA2 0.143 4.103 3.960 -0.000 0.000 0.254 714 G HA3 0.143 4.103 3.960 -0.000 0.000 0.254 714 G C -1.183 173.740 174.900 0.039 0.000 0.932 714 G CA -0.328 44.789 45.100 0.028 0.000 0.743 714 G HN 0.241 nan 8.290 nan 0.000 0.441 715 D N 2.121 122.544 120.400 0.038 0.000 2.429 715 D HA 0.124 4.764 4.640 -0.000 0.000 0.253 715 D C 1.697 178.054 176.300 0.095 0.000 1.294 715 D CA 0.376 54.404 54.000 0.046 0.000 1.063 715 D CB 1.041 41.860 40.800 0.031 0.000 1.096 715 D HN 0.312 nan 8.370 nan 0.000 0.516 716 T N -1.781 112.827 114.554 0.090 0.000 3.272 716 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 716 T C 0.840 175.578 174.700 0.065 0.000 1.082 716 T CA -0.611 61.562 62.100 0.122 0.000 0.968 716 T CB -0.162 68.698 68.868 -0.013 0.000 1.015 716 T HN 0.159 nan 8.240 nan 0.000 0.563 717 S N 0.840 116.581 115.700 0.068 0.000 2.707 717 S HA 0.411 4.880 4.470 -0.000 0.000 0.276 717 S C 1.036 175.676 174.600 0.067 0.000 1.179 717 S CA -0.156 58.068 58.200 0.040 0.000 0.992 717 S CB 1.140 64.355 63.200 0.026 0.000 1.030 717 S HN 0.410 nan 8.310 nan 0.000 0.554 718 T N -1.797 112.786 114.554 0.049 0.000 3.278 718 T HA 0.161 4.511 4.350 -0.000 0.000 0.251 718 T C 1.021 175.747 174.700 0.045 0.000 1.039 718 T CA -0.062 62.075 62.100 0.061 0.000 0.935 718 T CB -0.779 68.129 68.868 0.067 0.000 1.034 718 T HN 0.603 nan 8.240 nan 0.000 0.575 719 N N 2.785 121.506 118.700 0.034 0.000 2.004 719 N HA -0.023 4.717 4.740 -0.000 0.000 0.196 719 N C 1.369 176.885 175.510 0.009 0.000 1.064 719 N CA 1.691 54.753 53.050 0.019 0.000 0.855 719 N CB -0.848 37.648 38.487 0.016 0.000 1.056 719 N HN 0.502 nan 8.380 nan 0.000 0.423 720 G N 0.344 109.149 108.800 0.008 0.000 2.916 720 G HA2 0.451 4.411 3.960 -0.000 0.000 0.280 720 G HA3 0.451 4.411 3.960 -0.000 0.000 0.280 720 G C -0.570 174.328 174.900 -0.004 0.000 0.758 720 G CA -0.164 44.934 45.100 -0.003 0.000 1.993 720 G HN 0.339 nan 8.290 nan 0.000 0.564 721 I N -0.265 120.300 120.570 -0.008 0.000 3.095 721 I HA 0.406 4.576 4.170 -0.000 0.000 0.310 721 I C -0.312 175.787 176.117 -0.030 0.000 1.196 721 I CA -1.101 60.194 61.300 -0.009 0.000 0.985 721 I CB 3.041 41.050 38.000 0.014 0.000 1.250 721 I HN 0.117 nan 8.210 nan 0.000 0.446 722 K N 4.353 124.735 120.400 -0.030 0.000 2.602 722 K HA 0.239 4.559 4.320 -0.000 0.000 0.201 722 K C -0.411 176.158 176.600 -0.052 0.000 1.070 722 K CA -0.621 55.638 56.287 -0.047 0.000 1.026 722 K CB 0.375 32.855 32.500 -0.034 0.000 1.534 722 K HN 0.455 nan 8.250 nan 0.000 0.560 723 K N 2.255 122.607 120.400 -0.081 0.000 2.117 723 K HA 0.348 4.668 4.320 -0.000 0.000 0.240 723 K C -0.298 176.237 176.600 -0.109 0.000 1.031 723 K CA -0.372 55.878 56.287 -0.062 0.000 0.909 723 K CB 0.857 33.336 32.500 -0.035 0.000 1.097 723 K HN 0.286 nan 8.250 nan 0.000 0.492 724 I N 0.991 121.545 120.570 -0.026 0.000 2.533 724 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 724 I C -0.263 175.914 176.117 0.099 0.000 1.056 724 I CA -1.187 60.099 61.300 -0.022 0.000 1.057 724 I CB 2.149 40.140 38.000 -0.015 0.000 1.240 724 I HN 0.506 nan 8.210 nan 0.000 0.423 725 L N 6.111 127.395 121.223 0.100 0.000 2.562 725 L HA 0.086 4.426 4.340 -0.000 0.000 0.271 725 L C 0.118 177.065 176.870 0.128 0.000 1.167 725 L CA 0.577 55.578 54.840 0.269 0.000 0.917 725 L CB 0.445 42.609 42.059 0.176 0.000 1.187 725 L HN 0.632 nan 8.230 nan 0.000 0.482 726 I N 5.487 126.135 120.570 0.131 0.000 4.244 726 I HA 0.281 4.451 4.170 -0.000 0.000 0.318 726 I C -0.150 176.069 176.117 0.171 0.000 1.282 726 I CA 0.365 61.676 61.300 0.018 0.000 1.276 726 I CB 0.345 38.240 38.000 -0.175 0.000 1.183 726 I HN 0.429 nan 8.210 nan 0.000 0.431 727 F N -0.648 119.275 119.950 -0.045 0.000 2.643 727 F HA 0.670 5.197 4.527 -0.000 0.000 0.314 727 F C -0.072 175.694 175.800 -0.056 0.000 1.096 727 F CA -0.964 57.006 58.000 -0.049 0.000 0.953 727 F CB 1.985 40.947 39.000 -0.063 0.000 1.345 727 F HN -0.363 nan 8.300 nan 0.000 0.468 728 S N 3.487 118.908 115.700 -0.465 0.000 2.927 728 S HA 0.251 4.721 4.470 -0.000 0.000 0.136 728 S C -1.660 172.706 174.600 -0.391 0.000 0.831 728 S CA -0.709 57.324 58.200 -0.278 0.000 0.882 728 S CB -0.407 62.711 63.200 -0.138 0.000 1.612 728 S HN 0.463 nan 8.310 nan 0.000 0.579 729 K N 1.814 121.940 120.400 -0.458 0.000 2.139 729 K HA 0.582 4.902 4.320 -0.000 0.000 0.243 729 K C 0.099 176.578 176.600 -0.202 0.000 0.983 729 K CA -0.846 55.226 56.287 -0.360 0.000 0.890 729 K CB 0.657 32.941 32.500 -0.361 0.000 1.090 729 K HN 0.300 nan 8.250 nan 0.000 0.445 730 K N 0.064 120.303 120.400 -0.268 0.000 2.102 730 K HA 0.187 4.507 4.320 -0.000 0.000 0.244 730 K C 1.529 178.010 176.600 -0.197 0.000 1.021 730 K CA -0.146 55.996 56.287 -0.240 0.000 0.913 730 K CB 0.482 32.696 32.500 -0.477 0.000 1.062 730 K HN 0.812 nan 8.250 nan 0.000 0.485 731 G N 0.579 109.353 108.800 -0.043 0.000 2.432 731 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 731 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 731 G C 1.190 176.103 174.900 0.022 0.000 1.135 731 G CA 1.065 46.156 45.100 -0.015 0.000 0.767 731 G HN 0.679 nan 8.290 nan 0.000 0.550 732 Y N -0.453 119.818 120.300 -0.048 0.000 2.511 732 Y HA 0.425 4.975 4.550 -0.000 0.000 0.279 732 Y C 1.540 177.431 175.900 -0.016 0.000 1.157 732 Y CA -0.233 57.846 58.100 -0.036 0.000 1.300 732 Y CB -0.142 38.295 38.460 -0.038 0.000 1.052 732 Y HN 0.227 nan 8.280 nan 0.000 0.529 733 E N 0.769 120.699 120.200 -0.449 0.000 2.349 733 E HA 0.283 4.633 4.350 -0.000 0.000 0.201 733 E C 0.360 176.889 176.600 -0.118 0.000 1.087 733 E CA 0.074 56.276 56.400 -0.329 0.000 1.128 733 E CB 0.078 29.499 29.700 -0.466 0.000 1.188 733 E HN 0.619 nan 8.360 nan 0.000 0.445 734 I N -1.612 118.931 120.570 -0.046 0.000 3.357 734 I HA 0.326 4.496 4.170 -0.000 0.000 0.267 734 I C 0.869 177.008 176.117 0.036 0.000 1.061 734 I CA -0.211 61.105 61.300 0.026 0.000 1.727 734 I CB 1.134 39.159 38.000 0.043 0.000 1.756 734 I HN 0.123 nan 8.210 nan 0.000 0.402 735 G N 0.000 108.818 108.800 0.030 0.000 5.446 735 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 735 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 735 G CA 0.000 45.121 45.100 0.035 0.000 0.502 735 G HN 0.000 nan 8.290 nan 0.000 0.925