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 1f1s_1_A DATA FIRST_RESID 171 DATA SEQUENCE SEHPQPVTTQ IEKSVNTALN KNYVFNKADY QYTLTNPSLG KIVGGILYPN DATA SEQUENCE ATGSTTVKIS DKSGKIIKEV PLSVTASTED NFTKLLDKWN DVTIGNYVYD DATA SEQUENCE TNDSNMQKLN QKLDETNAKN IEAIKLDSNR TFLWKDLDNL NNSAQLTATY DATA SEQUENCE RRLEDLAKQI TNPHSTIYKN EKAIRTVKES LAWLHQNFYN VNKDIEGSAN DATA SEQUENCE WWDFEIGVPR SITGTLSLMN NYFTDAEIKT YTDPIEHFVP DAEYFRKTLV DATA SEQUENCE NPFKALGGNL VDMGRVKIIE GLLRKDNTII EKTSHSLKNL FTTATKAEGF DATA SEQUENCE YADGSYIDHT NVAYTGAYGN VLIDGLTQLL PIIQETDYKI SNQELDMVYK DATA SEQUENCE WINQSFLPLI VKGELMDMSR GRSISREAAS SHAAAVEVLR GFLRLANMSN DATA SEQUENCE EERNLDLKST IKTIITSNKF YNVFNNLKSY SDIANMNKLL NDSTVATKPL DATA SEQUENCE KSNLSTFNSM DRLAYYNAKK DFGFALSLHS KRTLNYEGMN DENTRGWYTG DATA SEQUENCE DGMFYIYNSD QSHYSNHFWP TVNPYKMAGT TEKDAKREDT TKEFMSKHSK DATA SEQUENCE DAKEKTGQVT GTSDFVGSVK LNDHFALAAM DFTNWDRTLT AQKGWVILND DATA SEQUENCE KIVFLGSNIK NTNGIGNVST TIDQRKDDSK TPYTTYVNGK TIDLKQASSQ DATA SEQUENCE QFTDTKSVFL ESKEPGRNIG YIFFKNSTID IERKEQTGTW NSINRTSKNT DATA SEQUENCE SIVSNPFITI SQKHDNKGDS YGYMMVPNID RTSFDKLANS KEVELLENSS DATA SEQUENCE KQQVIYDKNS QTWAVIKHDN QESLINNQFK MNKAGLYLVQ KVGNDYQNVY DATA SEQUENCE YQPQTMTKTD QLAI 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 171 S HA 0.000 nan 4.470 nan 0.000 0.327 171 S C 0.000 174.541 174.600 -0.099 0.000 1.055 171 S CA 0.000 58.110 58.200 -0.150 0.000 1.107 171 S CB 0.000 63.016 63.200 -0.307 0.000 0.593 172 E N 2.187 122.460 120.200 0.121 0.000 3.460 172 E HA -0.036 4.319 4.350 0.009 0.000 0.298 172 E C 0.098 176.847 176.600 0.249 0.000 1.314 172 E CA 0.315 56.808 56.400 0.155 0.000 1.393 172 E CB -0.766 29.015 29.700 0.135 0.000 1.127 172 E HN 0.782 nan 8.360 nan 0.000 0.461 173 H N -0.746 118.292 119.070 -0.052 0.000 2.551 173 H HA 0.123 4.685 4.556 0.009 0.000 0.271 173 H C -1.730 173.531 175.328 -0.112 0.000 0.984 173 H CA -1.393 54.609 56.048 -0.078 0.000 1.164 173 H CB -0.127 29.570 29.762 -0.108 0.000 1.437 173 H HN 0.199 nan 8.280 nan 0.000 0.550 174 P HA -0.083 nan 4.420 nan 0.000 0.255 174 P C -0.167 177.175 177.300 0.070 0.000 1.173 174 P CA 0.835 63.896 63.100 -0.066 0.000 0.780 174 P CB 0.435 32.218 31.700 0.138 0.000 0.758 175 Q N 4.850 124.652 119.800 0.004 0.000 2.351 175 Q HA 0.504 4.849 4.340 0.009 0.000 0.273 175 Q C -2.370 173.735 176.000 0.175 0.000 1.077 175 Q CA -2.275 53.577 55.803 0.082 0.000 0.843 175 Q CB 1.234 29.984 28.738 0.020 0.000 1.367 175 Q HN 0.271 nan 8.270 nan 0.000 0.449 176 P HA 0.144 nan 4.420 nan 0.000 0.274 176 P C -0.477 176.940 177.300 0.195 0.000 1.246 176 P CA -0.338 62.917 63.100 0.259 0.000 0.795 176 P CB 0.708 32.495 31.700 0.145 0.000 1.006 177 V N 1.850 121.901 119.914 0.228 0.000 2.318 177 V HA 0.195 4.320 4.120 0.009 0.000 0.271 177 V C 0.877 177.049 176.094 0.130 0.000 1.030 177 V CA -0.208 62.195 62.300 0.172 0.000 0.844 177 V CB 0.373 32.325 31.823 0.215 0.000 1.015 177 V HN 0.691 nan 8.190 nan 0.000 0.460 178 T N 1.850 116.464 114.554 0.100 0.000 2.909 178 T HA 0.720 5.076 4.350 0.009 0.000 0.289 178 T C 0.056 174.806 174.700 0.084 0.000 1.005 178 T CA -0.384 61.766 62.100 0.082 0.000 1.084 178 T CB 1.625 70.532 68.868 0.064 0.000 0.975 178 T HN 0.783 nan 8.240 nan 0.000 0.509 179 T N -0.125 114.478 114.554 0.081 0.000 2.864 179 T HA 0.710 5.065 4.350 0.009 0.000 0.299 179 T C -1.328 173.424 174.700 0.085 0.000 1.166 179 T CA -1.021 61.130 62.100 0.085 0.000 1.007 179 T CB 2.254 71.176 68.868 0.091 0.000 1.219 179 T HN 0.894 nan 8.240 nan 0.000 0.506 180 Q N 0.726 120.580 119.800 0.089 0.000 2.683 180 Q HA 0.557 4.902 4.340 0.009 0.000 0.302 180 Q C -0.712 175.352 176.000 0.107 0.000 1.042 180 Q CA -1.119 54.737 55.803 0.088 0.000 0.773 180 Q CB 1.574 30.351 28.738 0.065 0.000 1.508 180 Q HN 0.805 nan 8.270 nan 0.000 0.459 181 I N 1.634 122.259 120.570 0.091 0.000 2.648 181 I HA -0.027 4.148 4.170 0.009 0.000 0.284 181 I C 0.219 176.398 176.117 0.104 0.000 1.153 181 I CA 0.102 61.462 61.300 0.099 0.000 1.426 181 I CB 0.285 38.289 38.000 0.007 0.000 1.381 181 I HN 0.483 nan 8.210 nan 0.000 0.571 182 E N 5.115 125.410 120.200 0.158 0.000 2.415 182 E HA 0.003 4.358 4.350 0.009 0.000 0.262 182 E C 0.272 176.925 176.600 0.089 0.000 1.038 182 E CA 0.182 56.665 56.400 0.137 0.000 0.921 182 E CB 0.581 30.397 29.700 0.192 0.000 0.950 182 E HN 0.363 nan 8.360 nan 0.000 0.438 183 K N 0.377 120.812 120.400 0.060 0.000 2.356 183 K HA 0.109 4.434 4.320 0.009 0.000 0.195 183 K C -0.166 176.451 176.600 0.028 0.000 1.037 183 K CA 0.267 56.575 56.287 0.035 0.000 1.014 183 K CB 0.520 33.034 32.500 0.024 0.000 0.815 183 K HN 0.478 nan 8.250 nan 0.000 0.507 184 S N -1.244 114.473 115.700 0.027 0.000 2.565 184 S HA 0.423 4.898 4.470 0.009 0.000 0.274 184 S C -1.454 173.122 174.600 -0.041 0.000 1.144 184 S CA -1.067 57.133 58.200 -0.000 0.000 0.849 184 S CB 1.428 64.620 63.200 -0.014 0.000 1.103 184 S HN -0.198 nan 8.310 nan 0.000 0.455 185 V N 2.838 122.690 119.914 -0.104 0.000 2.588 185 V HA 0.677 4.802 4.120 0.009 0.000 0.304 185 V C -1.146 174.769 176.094 -0.298 0.000 1.042 185 V CA -0.710 61.410 62.300 -0.300 0.000 0.877 185 V CB 1.995 33.554 31.823 -0.439 0.000 0.996 185 V HN 0.917 nan 8.190 nan 0.000 0.425 186 N N 1.790 120.283 118.700 -0.346 0.000 2.410 186 N HA 0.591 5.336 4.740 0.009 0.000 0.287 186 N C -0.925 174.427 175.510 -0.264 0.000 1.044 186 N CA -0.267 52.644 53.050 -0.231 0.000 0.881 186 N CB 2.276 40.685 38.487 -0.130 0.000 1.405 186 N HN 0.693 nan 8.380 nan 0.000 0.490 187 T N 0.056 114.482 114.554 -0.214 0.000 2.952 187 T HA 0.701 5.056 4.350 0.009 0.000 0.305 187 T C -0.788 173.865 174.700 -0.079 0.000 1.064 187 T CA -0.487 61.525 62.100 -0.146 0.000 1.008 187 T CB 1.162 69.925 68.868 -0.175 0.000 1.078 187 T HN 0.493 nan 8.240 nan 0.000 0.459 188 A N 3.300 126.094 122.820 -0.043 0.000 2.445 188 A HA 0.431 4.756 4.320 0.009 0.000 0.242 188 A C 1.529 179.098 177.584 -0.025 0.000 1.075 188 A CA -0.367 51.655 52.037 -0.026 0.000 0.777 188 A CB -0.007 18.987 19.000 -0.010 0.000 1.013 188 A HN 1.038 nan 8.150 nan 0.000 0.493 189 L N 1.702 122.916 121.223 -0.014 0.000 2.129 189 L HA -0.220 4.125 4.340 0.009 0.000 0.212 189 L C 1.640 178.508 176.870 -0.003 0.000 1.087 189 L CA 2.770 57.606 54.840 -0.006 0.000 0.757 189 L CB -0.740 41.321 42.059 0.003 0.000 0.896 189 L HN 0.930 nan 8.230 nan 0.000 0.434 190 N N -2.513 116.184 118.700 -0.004 0.000 2.280 190 N HA 0.028 4.774 4.740 0.009 0.000 0.192 190 N C -0.216 175.274 175.510 -0.032 0.000 1.109 190 N CA -0.219 52.827 53.050 -0.006 0.000 0.855 190 N CB 0.146 38.638 38.487 0.008 0.000 0.974 190 N HN 0.061 nan 8.380 nan 0.000 0.482 191 K N 1.392 121.767 120.400 -0.042 0.000 2.235 191 K HA 0.230 4.555 4.320 0.009 0.000 0.266 191 K C -0.910 175.618 176.600 -0.121 0.000 0.980 191 K CA -0.599 55.647 56.287 -0.068 0.000 0.849 191 K CB 1.173 33.660 32.500 -0.021 0.000 1.098 191 K HN 0.162 nan 8.250 nan 0.000 0.445 192 N N 2.593 121.150 118.700 -0.238 0.000 2.411 192 N HA 0.004 4.749 4.740 0.009 0.000 0.259 192 N C -0.570 174.790 175.510 -0.251 0.000 1.103 192 N CA -0.108 52.719 53.050 -0.372 0.000 0.954 192 N CB 0.306 38.396 38.487 -0.663 0.000 1.085 192 N HN 0.408 nan 8.380 nan 0.000 0.485 193 Y N 2.406 122.477 120.300 -0.381 0.000 2.365 193 Y HA 0.176 4.731 4.550 0.009 0.000 0.340 193 Y C -0.204 175.401 175.900 -0.492 0.000 1.016 193 Y CA -0.549 57.296 58.100 -0.425 0.000 1.196 193 Y CB 0.656 38.798 38.460 -0.531 0.000 1.167 193 Y HN 0.197 nan 8.280 nan 0.000 0.509 194 V N 8.589 127.922 119.914 -0.968 0.000 2.334 194 V HA 0.128 4.253 4.120 0.009 0.000 0.267 194 V C -0.205 175.321 176.094 -0.946 0.000 1.040 194 V CA -0.809 61.069 62.300 -0.704 0.000 0.866 194 V CB -0.704 30.845 31.823 -0.456 0.000 1.019 194 V HN 0.561 nan 8.190 nan 0.000 0.468 195 F N 3.752 123.351 119.950 -0.584 0.000 2.602 195 F HA 0.072 4.605 4.527 0.009 0.000 0.367 195 F C 1.783 177.460 175.800 -0.205 0.000 1.126 195 F CA 0.311 58.085 58.000 -0.378 0.000 1.321 195 F CB 0.253 38.907 39.000 -0.575 0.000 1.094 195 F HN 0.443 nan 8.300 nan 0.000 0.594 196 N N 1.309 120.078 118.700 0.115 0.000 2.061 196 N HA -0.165 4.580 4.740 0.009 0.000 0.193 196 N C 0.211 175.819 175.510 0.163 0.000 1.030 196 N CA 1.472 54.587 53.050 0.109 0.000 0.856 196 N CB -0.109 38.470 38.487 0.154 0.000 1.023 196 N HN 0.325 nan 8.380 nan 0.000 0.424 197 K N 1.073 121.649 120.400 0.294 0.000 2.263 197 K HA 0.469 4.795 4.320 0.009 0.000 0.272 197 K C -0.350 176.479 176.600 0.382 0.000 1.033 197 K CA -0.428 56.060 56.287 0.336 0.000 0.884 197 K CB 1.663 34.445 32.500 0.469 0.000 1.107 197 K HN 0.064 nan 8.250 nan 0.000 0.460 198 A N 2.033 124.964 122.820 0.185 0.000 2.296 198 A HA 0.274 4.599 4.320 0.009 0.000 0.264 198 A C 0.138 177.719 177.584 -0.005 0.000 1.097 198 A CA 0.071 52.182 52.037 0.125 0.000 0.811 198 A CB 0.086 19.107 19.000 0.035 0.000 1.072 198 A HN 0.907 nan 8.150 nan 0.000 0.495 199 D N -2.786 117.604 120.400 -0.018 0.000 3.079 199 D HA -0.159 4.486 4.640 0.009 0.000 0.214 199 D C -0.809 175.323 176.300 -0.281 0.000 1.145 199 D CA 1.611 55.519 54.000 -0.154 0.000 0.958 199 D CB -1.611 39.049 40.800 -0.233 0.000 1.117 199 D HN 0.472 nan 8.370 nan 0.000 0.416 200 Y N 0.274 120.557 120.300 -0.029 0.000 2.496 200 Y HA 0.466 5.021 4.550 0.009 0.000 0.331 200 Y C 1.006 176.697 175.900 -0.349 0.000 1.140 200 Y CA -0.691 57.248 58.100 -0.268 0.000 1.166 200 Y CB 0.933 39.085 38.460 -0.513 0.000 1.249 200 Y HN -0.235 nan 8.280 nan 0.000 0.479 201 Q N 1.157 120.842 119.800 -0.191 0.000 2.267 201 Q HA 0.353 4.698 4.340 0.009 0.000 0.255 201 Q C -1.947 173.817 176.000 -0.392 0.000 0.923 201 Q CA -0.198 55.510 55.803 -0.159 0.000 0.925 201 Q CB 0.531 29.219 28.738 -0.083 0.000 1.195 201 Q HN 0.574 nan 8.270 nan 0.000 0.417 202 Y N 1.369 121.603 120.300 -0.111 0.000 2.364 202 Y HA 0.512 5.067 4.550 0.009 0.000 0.340 202 Y C -0.405 175.436 175.900 -0.099 0.000 0.975 202 Y CA -0.674 57.294 58.100 -0.220 0.000 1.089 202 Y CB 2.412 40.566 38.460 -0.510 0.000 1.192 202 Y HN 0.453 nan 8.280 nan 0.000 0.454 203 T N 4.491 119.076 114.554 0.051 0.000 2.928 203 T HA 0.477 4.832 4.350 0.009 0.000 0.296 203 T C -0.707 174.033 174.700 0.066 0.000 1.000 203 T CA -0.795 61.339 62.100 0.057 0.000 0.989 203 T CB 0.872 69.752 68.868 0.021 0.000 1.005 203 T HN 0.368 nan 8.240 nan 0.000 0.442 204 L N 2.381 123.654 121.223 0.084 0.000 2.326 204 L HA 0.296 4.642 4.340 0.009 0.000 0.278 204 L C 1.723 178.624 176.870 0.051 0.000 1.092 204 L CA -0.529 54.359 54.840 0.079 0.000 0.810 204 L CB 0.721 42.835 42.059 0.091 0.000 1.153 204 L HN 0.747 nan 8.230 nan 0.000 0.439 205 T N 0.475 115.054 114.554 0.041 0.000 2.788 205 T HA -0.175 4.180 4.350 0.009 0.000 0.268 205 T C 0.869 175.586 174.700 0.028 0.000 1.044 205 T CA 1.354 63.471 62.100 0.028 0.000 1.139 205 T CB -0.267 68.614 68.868 0.021 0.000 0.867 205 T HN 0.606 nan 8.240 nan 0.000 0.454 206 N N 1.374 120.094 118.700 0.033 0.000 2.706 206 N HA 0.154 4.899 4.740 0.009 0.000 0.240 206 N C -2.188 173.346 175.510 0.040 0.000 1.039 206 N CA -2.022 51.047 53.050 0.031 0.000 0.888 206 N CB 1.615 40.117 38.487 0.025 0.000 1.128 206 N HN -0.012 nan 8.380 nan 0.000 0.512 207 P HA -0.143 nan 4.420 nan 0.000 0.225 207 P C 1.237 178.566 177.300 0.049 0.000 1.148 207 P CA 0.915 64.046 63.100 0.051 0.000 0.779 207 P CB 0.195 31.922 31.700 0.045 0.000 0.780 208 S N -0.457 115.267 115.700 0.039 0.000 2.447 208 S HA -0.051 4.424 4.470 0.009 0.000 0.233 208 S C 1.948 176.570 174.600 0.038 0.000 1.006 208 S CA 0.424 58.645 58.200 0.035 0.000 0.957 208 S CB -1.377 61.839 63.200 0.027 0.000 0.773 208 S HN 0.094 nan 8.310 nan 0.000 0.507 209 L N 0.951 122.198 121.223 0.040 0.000 2.362 209 L HA 0.258 4.603 4.340 0.009 0.000 0.219 209 L C 1.398 178.297 176.870 0.049 0.000 1.134 209 L CA 0.632 55.494 54.840 0.037 0.000 0.807 209 L CB -0.926 41.152 42.059 0.032 0.000 0.927 209 L HN 0.669 nan 8.230 nan 0.000 0.447 210 G N -0.409 108.431 108.800 0.066 0.000 2.316 210 G HA2 0.127 4.093 3.960 0.009 0.000 0.296 210 G HA3 0.127 4.093 3.960 0.009 0.000 0.296 210 G C -1.806 173.162 174.900 0.115 0.000 1.399 210 G CA -0.726 44.428 45.100 0.090 0.000 0.833 210 G HN -0.152 nan 8.290 nan 0.000 0.565 211 K N 0.668 121.161 120.400 0.155 0.000 2.265 211 K HA 0.598 4.923 4.320 0.009 0.000 0.267 211 K C -0.313 176.434 176.600 0.245 0.000 0.994 211 K CA -0.765 55.622 56.287 0.167 0.000 0.860 211 K CB 0.885 33.463 32.500 0.129 0.000 1.099 211 K HN 0.371 nan 8.250 nan 0.000 0.448 212 I N 4.831 125.527 120.570 0.211 0.000 2.365 212 I HA 0.196 4.371 4.170 0.009 0.000 0.291 212 I C -0.440 175.813 176.117 0.227 0.000 1.004 212 I CA -0.868 60.581 61.300 0.247 0.000 1.311 212 I CB 1.692 39.828 38.000 0.227 0.000 1.401 212 I HN 0.317 nan 8.210 nan 0.000 0.491 213 V N 6.030 126.108 119.914 0.273 0.000 2.380 213 V HA 0.554 4.679 4.120 0.009 0.000 0.286 213 V C 0.729 176.940 176.094 0.196 0.000 1.015 213 V CA 0.049 62.475 62.300 0.210 0.000 0.834 213 V CB 0.788 32.739 31.823 0.213 0.000 1.009 213 V HN 1.150 nan 8.190 nan 0.000 0.428 214 G N 5.030 113.924 108.800 0.157 0.000 2.596 214 G HA2 -0.210 3.755 3.960 0.009 0.000 0.304 214 G HA3 -0.210 3.755 3.960 0.009 0.000 0.304 214 G C 0.884 175.913 174.900 0.214 0.000 1.189 214 G CA 0.412 45.604 45.100 0.153 0.000 0.986 214 G HN 1.608 nan 8.290 nan 0.000 0.548 215 G N -0.090 108.816 108.800 0.177 0.000 3.707 215 G HA2 0.565 4.530 3.960 0.009 0.000 0.286 215 G HA3 0.565 4.530 3.960 0.009 0.000 0.286 215 G C 0.106 175.101 174.900 0.159 0.000 1.112 215 G CA 0.227 45.418 45.100 0.153 0.000 0.861 215 G HN 0.700 nan 8.290 nan 0.000 0.534 216 I N 0.619 121.279 120.570 0.150 0.000 2.545 216 I HA 0.365 4.540 4.170 0.009 0.000 0.292 216 I C -1.234 174.897 176.117 0.024 0.000 1.040 216 I CA -1.091 60.207 61.300 -0.002 0.000 1.068 216 I CB 2.662 40.619 38.000 -0.072 0.000 1.251 216 I HN -0.100 nan 8.210 nan 0.000 0.424 217 L N 7.005 128.153 121.223 -0.125 0.000 2.282 217 L HA 0.443 4.789 4.340 0.009 0.000 0.288 217 L C -1.556 175.154 176.870 -0.265 0.000 1.033 217 L CA -0.020 54.800 54.840 -0.032 0.000 0.807 217 L CB 0.641 42.716 42.059 0.027 0.000 1.209 217 L HN 0.315 nan 8.230 nan 0.000 0.423 218 Y N 6.428 126.760 120.300 0.053 0.000 2.593 218 Y HA 0.469 5.025 4.550 0.009 0.000 0.331 218 Y C -2.036 173.875 175.900 0.018 0.000 0.986 218 Y CA -2.411 55.699 58.100 0.017 0.000 1.262 218 Y CB 0.500 38.970 38.460 0.016 0.000 1.098 218 Y HN 0.581 nan 8.280 nan 0.000 0.506 219 P HA -0.037 nan 4.420 nan 0.000 0.267 219 P C 0.384 177.725 177.300 0.070 0.000 1.200 219 P CA 0.239 63.372 63.100 0.055 0.000 0.772 219 P CB 0.950 32.657 31.700 0.011 0.000 0.855 220 N N 0.411 119.144 118.700 0.055 0.000 2.325 220 N HA 0.159 4.905 4.740 0.009 0.000 0.220 220 N C -0.500 175.030 175.510 0.033 0.000 1.176 220 N CA 0.085 53.164 53.050 0.048 0.000 0.861 220 N CB 0.773 39.291 38.487 0.051 0.000 1.230 220 N HN 0.426 nan 8.380 nan 0.000 0.479 221 A N 0.450 123.286 122.820 0.027 0.000 2.612 221 A HA 0.462 4.788 4.320 0.009 0.000 0.293 221 A C -0.519 177.072 177.584 0.012 0.000 1.075 221 A CA -0.458 51.590 52.037 0.019 0.000 0.680 221 A CB 0.740 19.752 19.000 0.019 0.000 1.279 221 A HN 0.177 nan 8.150 nan 0.000 0.411 222 T N -0.764 113.795 114.554 0.007 0.000 2.899 222 T HA 0.730 5.085 4.350 0.009 0.000 0.295 222 T C 0.480 175.181 174.700 0.001 0.000 1.033 222 T CA 0.388 62.488 62.100 0.001 0.000 1.084 222 T CB 1.277 70.145 68.868 -0.001 0.000 0.979 222 T HN 2.542 nan 8.240 nan 0.000 0.532 223 G N 0.493 109.291 108.800 -0.004 0.000 2.352 223 G HA2 0.430 4.395 3.960 0.009 0.000 0.302 223 G HA3 0.430 4.395 3.960 0.009 0.000 0.302 223 G C -1.211 173.685 174.900 -0.006 0.000 1.370 223 G CA -0.899 44.200 45.100 -0.002 0.000 0.918 223 G HN 0.864 nan 8.290 nan 0.000 0.610 224 S N -0.681 115.017 115.700 -0.004 0.000 2.503 224 S HA 0.935 5.410 4.470 0.009 0.000 0.301 224 S C 0.036 174.637 174.600 0.002 0.000 1.087 224 S CA 0.052 58.249 58.200 -0.005 0.000 1.042 224 S CB 2.028 65.224 63.200 -0.007 0.000 1.043 224 S HN 1.152 nan 8.310 nan 0.000 0.489 225 T N 0.681 115.238 114.554 0.005 0.000 2.647 225 T HA 0.697 5.053 4.350 0.009 0.000 0.302 225 T C -1.577 173.134 174.700 0.018 0.000 1.389 225 T CA -0.288 61.820 62.100 0.014 0.000 1.037 225 T CB 1.004 69.886 68.868 0.024 0.000 1.755 225 T HN 0.792 nan 8.240 nan 0.000 0.467 226 T N -1.138 113.432 114.554 0.027 0.000 2.903 226 T HA 0.757 5.112 4.350 0.009 0.000 0.299 226 T C -1.282 173.448 174.700 0.051 0.000 1.093 226 T CA -0.709 61.411 62.100 0.032 0.000 1.002 226 T CB 1.483 70.362 68.868 0.020 0.000 1.127 226 T HN 0.660 nan 8.240 nan 0.000 0.488 227 V N 1.864 121.819 119.914 0.069 0.000 2.448 227 V HA 0.602 4.727 4.120 0.009 0.000 0.295 227 V C -0.908 175.209 176.094 0.038 0.000 1.025 227 V CA -0.823 61.529 62.300 0.088 0.000 0.859 227 V CB 1.436 33.369 31.823 0.184 0.000 0.988 227 V HN 0.961 nan 8.190 nan 0.000 0.431 228 K N 7.248 127.649 120.400 0.001 0.000 2.211 228 K HA 0.588 4.913 4.320 0.009 0.000 0.275 228 K C -0.893 175.625 176.600 -0.136 0.000 1.024 228 K CA -0.218 56.038 56.287 -0.053 0.000 0.887 228 K CB 1.599 34.072 32.500 -0.045 0.000 1.084 228 K HN 0.608 nan 8.250 nan 0.000 0.463 229 I N 2.550 122.992 120.570 -0.213 0.000 2.321 229 I HA 0.171 4.346 4.170 0.009 0.000 0.291 229 I C 0.135 176.049 176.117 -0.339 0.000 0.998 229 I CA -0.266 60.773 61.300 -0.434 0.000 1.227 229 I CB 1.429 39.123 38.000 -0.510 0.000 1.368 229 I HN 0.647 nan 8.210 nan 0.000 0.466 230 S N 2.946 118.471 115.700 -0.291 0.000 2.661 230 S HA 0.711 5.186 4.470 0.009 0.000 0.285 230 S C -1.012 173.581 174.600 -0.012 0.000 1.138 230 S CA -0.986 57.132 58.200 -0.136 0.000 0.855 230 S CB 2.242 65.384 63.200 -0.096 0.000 1.136 230 S HN 0.595 nan 8.310 nan 0.000 0.484 231 D N -0.390 120.035 120.400 0.040 0.000 2.564 231 D HA 0.353 4.998 4.640 0.009 0.000 0.273 231 D C 0.947 177.250 176.300 0.005 0.000 1.192 231 D CA -0.940 53.105 54.000 0.074 0.000 1.080 231 D CB 0.320 41.176 40.800 0.094 0.000 1.160 231 D HN 0.651 nan 8.370 nan 0.000 0.607 232 K N -0.870 119.523 120.400 -0.012 0.000 2.360 232 K HA -0.119 4.206 4.320 0.009 0.000 0.201 232 K C 1.489 178.081 176.600 -0.014 0.000 1.046 232 K CA 1.402 57.677 56.287 -0.020 0.000 0.945 232 K CB -0.359 32.123 32.500 -0.028 0.000 0.750 232 K HN 0.307 nan 8.250 nan 0.000 0.464 233 S N -0.368 115.327 115.700 -0.009 0.000 2.558 233 S HA 0.195 4.670 4.470 0.009 0.000 0.217 233 S C 1.576 176.170 174.600 -0.010 0.000 0.975 233 S CA 0.147 58.342 58.200 -0.008 0.000 0.912 233 S CB -0.080 63.117 63.200 -0.005 0.000 0.776 233 S HN 0.634 nan 8.310 nan 0.000 0.526 234 G N 1.260 110.052 108.800 -0.013 0.000 2.199 234 G HA2 -0.333 3.632 3.960 0.009 0.000 0.254 234 G HA3 -0.333 3.632 3.960 0.009 0.000 0.254 234 G C 0.077 174.963 174.900 -0.023 0.000 0.982 234 G CA 0.275 45.364 45.100 -0.019 0.000 0.632 234 G HN 0.906 nan 8.290 nan 0.000 0.529 235 K N 1.497 121.886 120.400 -0.019 0.000 2.447 235 K HA 0.352 4.677 4.320 0.009 0.000 0.281 235 K C 0.685 177.260 176.600 -0.041 0.000 1.031 235 K CA -0.347 55.926 56.287 -0.023 0.000 1.019 235 K CB 0.133 32.625 32.500 -0.014 0.000 0.918 235 K HN 0.067 nan 8.250 nan 0.000 0.476 236 I N 7.269 127.809 120.570 -0.049 0.000 2.421 236 I HA -0.053 4.122 4.170 0.009 0.000 0.291 236 I C 1.110 177.176 176.117 -0.085 0.000 1.089 236 I CA -0.098 61.158 61.300 -0.072 0.000 1.354 236 I CB -0.006 37.959 38.000 -0.059 0.000 1.413 236 I HN 0.772 nan 8.210 nan 0.000 0.513 237 I N 4.947 125.437 120.570 -0.133 0.000 2.333 237 I HA -0.015 4.160 4.170 0.009 0.000 0.246 237 I C 1.032 177.058 176.117 -0.151 0.000 1.106 237 I CA 1.120 62.324 61.300 -0.161 0.000 1.411 237 I CB -0.578 37.242 38.000 -0.301 0.000 1.082 237 I HN 0.581 nan 8.210 nan 0.000 0.420 238 K N 0.302 120.604 120.400 -0.163 0.000 2.587 238 K HA 0.294 4.619 4.320 0.009 0.000 0.276 238 K C -1.303 175.244 176.600 -0.089 0.000 0.956 238 K CA -0.533 55.686 56.287 -0.113 0.000 0.857 238 K CB 2.211 34.641 32.500 -0.117 0.000 1.431 238 K HN -0.017 nan 8.250 nan 0.000 0.420 239 E N 2.691 122.862 120.200 -0.048 0.000 2.241 239 E HA 0.456 4.811 4.350 0.009 0.000 0.263 239 E C -1.519 175.079 176.600 -0.004 0.000 0.882 239 E CA -0.846 55.539 56.400 -0.025 0.000 0.769 239 E CB 1.742 31.429 29.700 -0.022 0.000 1.185 239 E HN 0.426 nan 8.360 nan 0.000 0.415 240 V N 1.480 121.406 119.914 0.020 0.000 3.001 240 V HA 0.758 4.883 4.120 0.009 0.000 0.314 240 V C -2.709 173.404 176.094 0.032 0.000 1.099 240 V CA -2.625 59.693 62.300 0.029 0.000 0.989 240 V CB 1.623 33.475 31.823 0.049 0.000 1.040 240 V HN 0.589 nan 8.190 nan 0.000 0.434 241 P HA 0.384 nan 4.420 nan 0.000 0.271 241 P C -0.972 176.330 177.300 0.003 0.000 1.216 241 P CA 0.003 63.108 63.100 0.009 0.000 0.771 241 P CB 1.326 33.025 31.700 -0.002 0.000 0.864 242 L N 2.536 123.760 121.223 0.001 0.000 2.436 242 L HA 0.565 4.910 4.340 0.009 0.000 0.268 242 L C -0.749 176.100 176.870 -0.036 0.000 0.974 242 L CA -0.224 54.602 54.840 -0.024 0.000 0.826 242 L CB 1.993 44.068 42.059 0.027 0.000 1.291 242 L HN 0.513 nan 8.230 nan 0.000 0.406 243 S N 3.685 119.341 115.700 -0.073 0.000 2.547 243 S HA 0.732 5.207 4.470 0.009 0.000 0.281 243 S C -1.111 173.442 174.600 -0.077 0.000 1.118 243 S CA -0.703 57.463 58.200 -0.058 0.000 0.947 243 S CB 1.976 65.148 63.200 -0.047 0.000 1.053 243 S HN 0.368 nan 8.310 nan 0.000 0.482 244 V N 3.979 123.863 119.914 -0.050 0.000 2.370 244 V HA 0.579 4.704 4.120 0.009 0.000 0.279 244 V C 0.915 176.988 176.094 -0.034 0.000 1.029 244 V CA -0.123 62.148 62.300 -0.048 0.000 0.870 244 V CB 0.888 32.695 31.823 -0.025 0.000 0.984 244 V HN 1.139 nan 8.190 nan 0.000 0.451 245 T N 2.516 117.047 114.554 -0.038 0.000 2.910 245 T HA 0.793 5.148 4.350 0.009 0.000 0.279 245 T C 0.377 175.069 174.700 -0.014 0.000 0.989 245 T CA -0.274 61.811 62.100 -0.025 0.000 0.968 245 T CB 1.490 70.340 68.868 -0.029 0.000 1.135 245 T HN 0.955 nan 8.240 nan 0.000 0.562 246 A N 1.341 124.157 122.820 -0.008 0.000 2.561 246 A HA 0.427 4.753 4.320 0.009 0.000 0.234 246 A C 0.869 178.454 177.584 0.002 0.000 1.055 246 A CA 0.004 52.041 52.037 -0.000 0.000 0.756 246 A CB -0.712 18.290 19.000 0.003 0.000 0.986 246 A HN 1.173 nan 8.150 nan 0.000 0.505 247 S N 0.814 116.519 115.700 0.008 0.000 2.568 247 S HA 0.217 4.693 4.470 0.009 0.000 0.282 247 S C 1.328 175.940 174.600 0.020 0.000 1.338 247 S CA 0.346 58.553 58.200 0.012 0.000 1.045 247 S CB 0.287 63.497 63.200 0.016 0.000 0.873 247 S HN 1.386 nan 8.310 nan 0.000 0.516 248 T N 0.605 115.174 114.554 0.025 0.000 3.086 248 T HA 0.226 4.581 4.350 0.009 0.000 0.250 248 T C 0.482 175.216 174.700 0.058 0.000 1.074 248 T CA -0.200 61.923 62.100 0.038 0.000 0.988 248 T CB -0.343 68.545 68.868 0.033 0.000 0.988 248 T HN 0.784 nan 8.240 nan 0.000 0.530 249 E N 2.470 122.699 120.200 0.048 0.000 2.558 249 E HA 0.188 4.543 4.350 0.009 0.000 0.255 249 E C -0.370 176.266 176.600 0.061 0.000 0.968 249 E CA 0.204 56.636 56.400 0.054 0.000 0.939 249 E CB 0.268 29.991 29.700 0.038 0.000 0.921 249 E HN 0.696 nan 8.360 nan 0.000 0.477 250 D N 2.851 123.298 120.400 0.079 0.000 3.057 250 D HA 0.098 4.743 4.640 0.009 0.000 0.328 250 D C 0.258 176.570 176.300 0.019 0.000 1.317 250 D CA -0.614 53.423 54.000 0.062 0.000 0.973 250 D CB -0.209 40.666 40.800 0.124 0.000 1.424 250 D HN 0.270 nan 8.370 nan 0.000 0.569 251 N N -0.806 117.842 118.700 -0.086 0.000 2.223 251 N HA -0.024 4.721 4.740 0.009 0.000 0.185 251 N C 1.544 176.960 175.510 -0.157 0.000 1.016 251 N CA 0.862 53.806 53.050 -0.176 0.000 0.863 251 N CB -0.375 37.921 38.487 -0.319 0.000 0.983 251 N HN 0.280 nan 8.380 nan 0.000 0.429 252 F N 1.402 121.363 119.950 0.018 0.000 2.075 252 F HA -0.163 4.370 4.527 0.009 0.000 0.297 252 F C 2.796 178.612 175.800 0.025 0.000 1.113 252 F CA 1.594 59.606 58.000 0.019 0.000 1.218 252 F CB -1.384 37.626 39.000 0.016 0.000 0.984 252 F HN 0.111 nan 8.300 nan 0.000 0.472 253 T N -1.579 113.112 114.554 0.228 0.000 2.833 253 T HA -0.175 4.181 4.350 0.009 0.000 0.269 253 T C 1.836 176.597 174.700 0.101 0.000 1.054 253 T CA 1.174 63.360 62.100 0.143 0.000 1.135 253 T CB -0.416 68.520 68.868 0.113 0.000 0.869 253 T HN 0.216 nan 8.240 nan 0.000 0.466 254 K N 0.893 121.336 120.400 0.072 0.000 2.097 254 K HA 0.134 4.460 4.320 0.009 0.000 0.205 254 K C 2.328 178.961 176.600 0.056 0.000 1.050 254 K CA 0.875 57.188 56.287 0.044 0.000 0.938 254 K CB -0.382 32.127 32.500 0.015 0.000 0.718 254 K HN 0.386 nan 8.250 nan 0.000 0.442 255 L N 0.903 122.166 121.223 0.066 0.000 2.217 255 L HA -0.090 4.255 4.340 0.009 0.000 0.211 255 L C 2.311 179.264 176.870 0.138 0.000 1.107 255 L CA 0.608 55.499 54.840 0.084 0.000 0.783 255 L CB -0.270 41.827 42.059 0.063 0.000 0.919 255 L HN 0.177 nan 8.230 nan 0.000 0.442 256 L N -0.558 120.751 121.223 0.143 0.000 2.072 256 L HA -0.197 4.148 4.340 0.009 0.000 0.205 256 L C 2.166 179.157 176.870 0.202 0.000 1.079 256 L CA 1.071 56.023 54.840 0.186 0.000 0.752 256 L CB -0.484 41.668 42.059 0.154 0.000 0.906 256 L HN 0.268 nan 8.230 nan 0.000 0.436 257 D N 0.037 120.513 120.400 0.127 0.000 2.144 257 D HA -0.204 4.441 4.640 0.009 0.000 0.199 257 D C 2.051 178.376 176.300 0.043 0.000 0.984 257 D CA 1.073 55.118 54.000 0.075 0.000 0.834 257 D CB -0.016 40.803 40.800 0.032 0.000 0.955 257 D HN 0.228 nan 8.370 nan 0.000 0.465 258 K N -0.008 120.436 120.400 0.073 0.000 2.097 258 K HA -0.132 4.193 4.320 0.009 0.000 0.205 258 K C 2.145 178.836 176.600 0.151 0.000 1.050 258 K CA 0.739 57.063 56.287 0.062 0.000 0.938 258 K CB -0.107 32.445 32.500 0.087 0.000 0.718 258 K HN 0.263 nan 8.250 nan 0.000 0.442 259 W N 1.839 123.148 121.300 0.015 0.000 2.358 259 W HA -0.205 4.460 4.660 0.009 0.000 0.303 259 W C 1.204 177.748 176.519 0.041 0.000 1.208 259 W CA 1.173 58.539 57.345 0.036 0.000 1.274 259 W CB -0.205 29.283 29.460 0.046 0.000 1.138 259 W HN 0.162 nan 8.180 nan 0.000 0.515 260 N N 1.121 119.860 118.700 0.064 0.000 2.166 260 N HA -0.177 4.568 4.740 0.009 0.000 0.186 260 N C 1.033 176.512 175.510 -0.052 0.000 1.019 260 N CA 1.879 54.904 53.050 -0.041 0.000 0.856 260 N CB -0.921 37.608 38.487 0.070 0.000 0.993 260 N HN 0.178 nan 8.380 nan 0.000 0.426 261 D N 0.144 120.507 120.400 -0.062 0.000 2.117 261 D HA -0.096 4.549 4.640 0.009 0.000 0.198 261 D C 2.117 178.470 176.300 0.088 0.000 0.982 261 D CA 0.929 54.882 54.000 -0.077 0.000 0.828 261 D CB -0.238 40.301 40.800 -0.435 0.000 0.967 261 D HN 0.259 nan 8.370 nan 0.000 0.464 262 V N -0.671 119.236 119.914 -0.012 0.000 2.591 262 V HA -0.086 4.040 4.120 0.009 0.000 0.249 262 V C 2.252 178.250 176.094 -0.160 0.000 1.053 262 V CA 1.927 64.212 62.300 -0.025 0.000 1.068 262 V CB -1.025 30.799 31.823 0.002 0.000 0.689 262 V HN 0.194 nan 8.190 nan 0.000 0.462 263 T N -1.671 112.663 114.554 -0.366 0.000 2.852 263 T HA 0.137 4.492 4.350 0.009 0.000 0.256 263 T C 1.847 176.404 174.700 -0.238 0.000 1.038 263 T CA 1.413 63.244 62.100 -0.448 0.000 1.141 263 T CB -0.152 68.209 68.868 -0.845 0.000 0.869 263 T HN 0.328 nan 8.240 nan 0.000 0.439 264 I N 1.048 121.528 120.570 -0.150 0.000 2.947 264 I HA 0.325 4.500 4.170 0.009 0.000 0.263 264 I C 2.111 178.290 176.117 0.104 0.000 1.130 264 I CA 1.080 62.347 61.300 -0.055 0.000 1.448 264 I CB -1.507 36.492 38.000 -0.002 0.000 1.222 264 I HN 0.578 nan 8.210 nan 0.000 0.453 265 G N 2.446 111.374 108.800 0.213 0.000 2.246 265 G HA2 -0.334 3.632 3.960 0.009 0.000 0.273 265 G HA3 -0.334 3.632 3.960 0.009 0.000 0.273 265 G C 0.721 175.903 174.900 0.469 0.000 1.055 265 G CA 0.772 46.115 45.100 0.405 0.000 0.851 265 G HN 0.449 nan 8.290 nan 0.000 0.500 266 N N -0.820 118.145 118.700 0.442 0.000 2.205 266 N HA -0.161 4.584 4.740 0.009 0.000 0.186 266 N C 1.961 177.646 175.510 0.290 0.000 1.015 266 N CA 1.738 55.004 53.050 0.360 0.000 0.862 266 N CB -0.249 38.397 38.487 0.264 0.000 0.986 266 N HN 0.871 nan 8.380 nan 0.000 0.429 267 Y N 0.102 120.478 120.300 0.126 0.000 2.574 267 Y HA 0.063 4.618 4.550 0.009 0.000 0.294 267 Y C 1.213 177.160 175.900 0.078 0.000 1.142 267 Y CA 0.131 58.287 58.100 0.094 0.000 1.314 267 Y CB -0.537 37.973 38.460 0.082 0.000 0.991 267 Y HN -0.093 nan 8.280 nan 0.000 0.555 268 V N -2.947 116.721 119.914 -0.410 0.000 3.176 268 V HA 0.260 4.385 4.120 0.009 0.000 0.332 268 V C 0.029 175.982 176.094 -0.235 0.000 1.414 268 V CA -0.955 61.072 62.300 -0.454 0.000 1.133 268 V CB -1.837 29.650 31.823 -0.561 0.000 1.088 268 V HN 0.228 nan 8.190 nan 0.000 0.473 269 Y N 2.053 122.164 120.300 -0.315 0.000 2.620 269 Y HA 0.412 4.968 4.550 0.010 0.000 0.330 269 Y C 0.058 175.664 175.900 -0.488 0.000 1.186 269 Y CA 0.381 58.164 58.100 -0.529 0.000 1.467 269 Y CB 0.685 38.725 38.460 -0.700 0.000 1.262 269 Y HN 0.386 nan 8.280 nan 0.000 0.550 270 D N 3.894 123.638 120.400 -1.092 0.000 2.481 270 D HA 0.121 4.767 4.640 0.009 0.000 0.246 270 D C 0.785 176.542 176.300 -0.904 0.000 1.109 270 D CA -0.069 53.483 54.000 -0.747 0.000 0.845 270 D CB 1.427 41.950 40.800 -0.462 0.000 1.160 270 D HN 0.723 nan 8.370 nan 0.000 0.534 271 T N 0.994 115.207 114.554 -0.567 0.000 2.929 271 T HA -0.116 4.239 4.350 0.009 0.000 0.271 271 T C 1.106 175.664 174.700 -0.237 0.000 1.085 271 T CA 0.715 62.634 62.100 -0.301 0.000 1.125 271 T CB 0.004 68.825 68.868 -0.079 0.000 0.874 271 T HN 0.247 nan 8.240 nan 0.000 0.494 272 N N 1.461 120.014 118.700 -0.245 0.000 2.463 272 N HA 0.027 4.772 4.740 0.009 0.000 0.181 272 N C 0.172 175.554 175.510 -0.214 0.000 1.078 272 N CA 0.358 53.297 53.050 -0.185 0.000 0.902 272 N CB -0.105 38.291 38.487 -0.153 0.000 0.970 272 N HN 0.594 nan 8.380 nan 0.000 0.451 273 D N 0.722 120.945 120.400 -0.295 0.000 2.295 273 D HA 0.037 4.682 4.640 0.009 0.000 0.248 273 D C 1.068 177.217 176.300 -0.251 0.000 1.154 273 D CA -0.038 53.786 54.000 -0.292 0.000 0.857 273 D CB 1.253 41.848 40.800 -0.341 0.000 1.117 273 D HN 0.067 nan 8.370 nan 0.000 0.468 274 S N 3.344 118.916 115.700 -0.212 0.000 2.423 274 S HA -0.161 4.315 4.470 0.009 0.000 0.231 274 S C 1.269 175.790 174.600 -0.133 0.000 1.014 274 S CA 0.986 59.093 58.200 -0.156 0.000 0.965 274 S CB -0.171 62.941 63.200 -0.147 0.000 0.785 274 S HN 0.560 nan 8.310 nan 0.000 0.495 275 N N 0.778 119.372 118.700 -0.176 0.000 2.216 275 N HA 0.142 4.888 4.740 0.009 0.000 0.183 275 N C 1.977 177.483 175.510 -0.006 0.000 1.017 275 N CA 1.516 54.504 53.050 -0.103 0.000 0.861 275 N CB -0.225 38.171 38.487 -0.152 0.000 0.986 275 N HN 0.390 nan 8.380 nan 0.000 0.428 276 M N 0.157 119.729 119.600 -0.046 0.000 2.123 276 M HA -0.106 4.379 4.480 0.009 0.000 0.263 276 M C 2.155 178.566 176.300 0.185 0.000 1.069 276 M CA 1.128 56.476 55.300 0.080 0.000 1.133 276 M CB -0.290 32.086 32.600 -0.374 0.000 1.356 276 M HN 0.158 nan 8.290 nan 0.000 0.415 277 Q N 1.180 120.989 119.800 0.015 0.000 2.096 277 Q HA -0.175 4.170 4.340 0.009 0.000 0.204 277 Q C 1.818 177.887 176.000 0.115 0.000 0.982 277 Q CA 1.750 57.624 55.803 0.117 0.000 0.850 277 Q CB -0.216 28.531 28.738 0.015 0.000 0.901 277 Q HN 0.451 nan 8.270 nan 0.000 0.422 278 K N 0.028 120.466 120.400 0.063 0.000 2.026 278 K HA -0.121 4.205 4.320 0.009 0.000 0.208 278 K C 2.309 178.957 176.600 0.080 0.000 1.048 278 K CA 1.098 57.413 56.287 0.046 0.000 0.929 278 K CB -0.275 32.231 32.500 0.010 0.000 0.713 278 K HN 0.191 nan 8.250 nan 0.000 0.439 279 L N 1.110 122.408 121.223 0.126 0.000 1.989 279 L HA -0.281 4.064 4.340 0.009 0.000 0.211 279 L C 2.143 179.120 176.870 0.178 0.000 1.071 279 L CA 1.696 56.615 54.840 0.132 0.000 0.749 279 L CB -0.406 41.748 42.059 0.158 0.000 0.890 279 L HN 0.251 nan 8.230 nan 0.000 0.431 280 N N -0.380 118.508 118.700 0.315 0.000 2.069 280 N HA -0.298 4.448 4.740 0.009 0.000 0.191 280 N C 1.864 177.443 175.510 0.116 0.000 1.031 280 N CA 1.895 55.097 53.050 0.253 0.000 0.852 280 N CB -0.149 38.468 38.487 0.218 0.000 1.018 280 N HN 0.396 nan 8.380 nan 0.000 0.423 281 Q N -0.096 119.762 119.800 0.096 0.000 2.050 281 Q HA -0.194 4.152 4.340 0.009 0.000 0.202 281 Q C 1.831 177.852 176.000 0.035 0.000 0.980 281 Q CA 1.675 57.510 55.803 0.053 0.000 0.840 281 Q CB -0.127 28.636 28.738 0.042 0.000 0.898 281 Q HN 0.117 nan 8.270 nan 0.000 0.424 282 K N 0.062 120.482 120.400 0.033 0.000 2.063 282 K HA -0.162 4.164 4.320 0.009 0.000 0.208 282 K C 1.806 178.409 176.600 0.006 0.000 1.048 282 K CA 0.997 57.291 56.287 0.011 0.000 0.928 282 K CB -0.548 31.954 32.500 0.003 0.000 0.713 282 K HN 0.223 nan 8.250 nan 0.000 0.442 283 L N 1.157 122.392 121.223 0.020 0.000 2.017 283 L HA -0.164 4.181 4.340 0.009 0.000 0.208 283 L C 1.459 178.336 176.870 0.012 0.000 1.073 283 L CA 1.980 56.828 54.840 0.012 0.000 0.745 283 L CB -0.832 41.247 42.059 0.034 0.000 0.894 283 L HN 0.240 nan 8.230 nan 0.000 0.432 284 D N -0.608 119.806 120.400 0.023 0.000 2.144 284 D HA -0.179 4.466 4.640 0.009 0.000 0.199 284 D C 2.134 178.440 176.300 0.010 0.000 0.984 284 D CA 1.173 55.185 54.000 0.019 0.000 0.834 284 D CB 0.096 40.909 40.800 0.021 0.000 0.955 284 D HN 0.476 nan 8.370 nan 0.000 0.465 285 E N -0.219 119.984 120.200 0.005 0.000 2.031 285 E HA -0.109 4.246 4.350 0.009 0.000 0.193 285 E C 2.061 178.652 176.600 -0.013 0.000 0.994 285 E CA 1.322 57.721 56.400 -0.002 0.000 0.800 285 E CB -0.013 29.684 29.700 -0.004 0.000 0.752 285 E HN 0.152 nan 8.360 nan 0.000 0.447 286 T N 1.264 115.803 114.554 -0.025 0.000 2.746 286 T HA -0.114 4.241 4.350 0.009 0.000 0.267 286 T C 1.570 176.238 174.700 -0.054 0.000 1.039 286 T CA 1.156 63.226 62.100 -0.050 0.000 1.142 286 T CB -0.228 68.601 68.868 -0.065 0.000 0.866 286 T HN 0.070 nan 8.240 nan 0.000 0.444 287 N N 1.398 120.080 118.700 -0.030 0.000 2.120 287 N HA 0.022 4.767 4.740 0.009 0.000 0.188 287 N C 2.099 177.615 175.510 0.011 0.000 1.024 287 N CA 1.259 54.302 53.050 -0.013 0.000 0.852 287 N CB -0.639 37.854 38.487 0.010 0.000 1.003 287 N HN 0.425 nan 8.380 nan 0.000 0.424 288 A N 1.281 124.108 122.820 0.011 0.000 1.908 288 A HA -0.170 4.155 4.320 0.009 0.000 0.218 288 A C 2.126 179.727 177.584 0.029 0.000 1.181 288 A CA 1.531 53.581 52.037 0.021 0.000 0.627 288 A CB -0.384 18.625 19.000 0.014 0.000 0.818 288 A HN 0.282 nan 8.150 nan 0.000 0.445 289 K N -0.327 120.080 120.400 0.011 0.000 2.057 289 K HA -0.111 4.214 4.320 0.009 0.000 0.207 289 K C 1.793 178.425 176.600 0.054 0.000 1.049 289 K CA 1.400 57.697 56.287 0.016 0.000 0.931 289 K CB -0.218 32.271 32.500 -0.019 0.000 0.714 289 K HN 0.396 nan 8.250 nan 0.000 0.440 290 N N 1.121 119.834 118.700 0.022 0.000 2.142 290 N HA -0.098 4.648 4.740 0.009 0.000 0.186 290 N C 1.858 177.615 175.510 0.412 0.000 1.023 290 N CA 1.084 54.202 53.050 0.113 0.000 0.852 290 N CB -0.178 38.197 38.487 -0.187 0.000 0.998 290 N HN 0.152 nan 8.380 nan 0.000 0.424 291 I N 1.190 121.893 120.570 0.221 0.000 2.226 291 I HA -0.207 3.968 4.170 0.009 0.000 0.245 291 I C 2.465 178.656 176.117 0.123 0.000 1.100 291 I CA 1.090 62.493 61.300 0.172 0.000 1.374 291 I CB -0.152 37.901 38.000 0.090 0.000 1.057 291 I HN 0.132 nan 8.210 nan 0.000 0.413 292 E N 1.403 121.665 120.200 0.104 0.000 2.106 292 E HA -0.179 4.176 4.350 0.009 0.000 0.192 292 E C 2.053 178.703 176.600 0.085 0.000 0.984 292 E CA 1.540 57.981 56.400 0.068 0.000 0.806 292 E CB 0.086 29.817 29.700 0.051 0.000 0.750 292 E HN 0.452 nan 8.360 nan 0.000 0.458 293 A N 0.911 123.831 122.820 0.167 0.000 2.178 293 A HA 0.128 4.454 4.320 0.009 0.000 0.211 293 A C 1.478 179.149 177.584 0.144 0.000 1.157 293 A CA -0.314 51.841 52.037 0.196 0.000 0.780 293 A CB -0.254 18.909 19.000 0.272 0.000 0.828 293 A HN 0.309 nan 8.150 nan 0.000 0.476 294 I N 0.980 121.578 120.570 0.047 0.000 2.815 294 I HA 0.003 4.178 4.170 0.009 0.000 0.291 294 I C -0.251 175.648 176.117 -0.363 0.000 1.209 294 I CA -0.100 60.920 61.300 -0.467 0.000 1.431 294 I CB 0.523 38.201 38.000 -0.538 0.000 1.351 294 I HN 0.061 nan 8.210 nan 0.000 0.585 295 K N 8.152 128.267 120.400 -0.475 0.000 2.297 295 K HA 0.215 4.540 4.320 0.009 0.000 0.286 295 K C 0.172 176.515 176.600 -0.428 0.000 1.053 295 K CA -0.116 55.937 56.287 -0.391 0.000 0.940 295 K CB 1.217 33.430 32.500 -0.478 0.000 1.019 295 K HN 0.631 nan 8.250 nan 0.000 0.475 296 L N 0.876 121.913 121.223 -0.310 0.000 2.766 296 L HA 0.112 4.457 4.340 0.009 0.000 0.242 296 L C 0.466 177.195 176.870 -0.235 0.000 1.136 296 L CA -0.310 54.364 54.840 -0.277 0.000 0.933 296 L CB 0.184 42.127 42.059 -0.193 0.000 1.241 296 L HN 0.541 nan 8.230 nan 0.000 0.522 297 D N 0.368 120.631 120.400 -0.230 0.000 2.458 297 D HA -0.073 4.572 4.640 0.009 0.000 0.243 297 D C 1.538 177.741 176.300 -0.161 0.000 1.146 297 D CA 0.492 54.391 54.000 -0.169 0.000 0.877 297 D CB 1.175 41.882 40.800 -0.155 0.000 1.176 297 D HN 0.142 nan 8.370 nan 0.000 0.461 298 S N 3.139 118.783 115.700 -0.093 0.000 2.420 298 S HA -0.293 4.182 4.470 0.009 0.000 0.237 298 S C 1.274 175.879 174.600 0.008 0.000 1.023 298 S CA 1.403 59.580 58.200 -0.039 0.000 0.991 298 S CB -0.597 62.599 63.200 -0.006 0.000 0.792 298 S HN 0.766 nan 8.310 nan 0.000 0.488 299 N N 1.534 120.225 118.700 -0.014 0.000 2.268 299 N HA 0.011 4.756 4.740 0.009 0.000 0.204 299 N C 0.363 175.879 175.510 0.010 0.000 1.124 299 N CA -0.656 52.410 53.050 0.027 0.000 0.838 299 N CB -0.131 38.364 38.487 0.012 0.000 0.994 299 N HN 0.556 nan 8.380 nan 0.000 0.489 300 R N -0.270 120.178 120.500 -0.086 0.000 2.802 300 R HA -0.004 4.341 4.340 0.009 0.000 0.264 300 R C -0.114 176.204 176.300 0.031 0.000 0.996 300 R CA 0.339 56.304 56.100 -0.225 0.000 1.123 300 R CB 0.152 30.156 30.300 -0.493 0.000 0.996 300 R HN -0.163 nan 8.270 nan 0.000 0.444 301 T N 0.845 115.348 114.554 -0.084 0.000 3.003 301 T HA 0.249 4.604 4.350 0.009 0.000 0.261 301 T C -1.015 173.988 174.700 0.506 0.000 1.003 301 T CA -0.167 62.113 62.100 0.300 0.000 0.917 301 T CB -0.036 68.990 68.868 0.263 0.000 1.084 301 T HN 0.567 nan 8.240 nan 0.000 0.522 302 F N -2.187 117.863 119.950 0.167 0.000 2.779 302 F HA 0.540 5.073 4.527 0.009 0.000 0.316 302 F C -0.181 175.429 175.800 -0.316 0.000 1.164 302 F CA -1.260 56.761 58.000 0.035 0.000 0.924 302 F CB 0.504 39.520 39.000 0.026 0.000 1.348 302 F HN -0.289 nan 8.300 nan 0.000 0.467 303 L N -0.505 120.677 121.223 -0.069 0.000 2.316 303 L HA 0.220 4.565 4.340 0.009 0.000 0.207 303 L C -0.400 176.126 176.870 -0.574 0.000 1.070 303 L CA 0.473 54.962 54.840 -0.585 0.000 0.820 303 L CB 0.343 41.898 42.059 -0.840 0.000 0.992 303 L HN 0.438 nan 8.230 nan 0.000 0.466 304 W N 0.026 121.457 121.300 0.219 0.000 2.839 304 W HA 0.247 4.913 4.660 0.009 0.000 0.334 304 W C 0.692 177.252 176.519 0.069 0.000 1.064 304 W CA -1.102 56.329 57.345 0.145 0.000 1.236 304 W CB 1.756 31.225 29.460 0.016 0.000 1.405 304 W HN -0.167 nan 8.180 nan 0.000 0.478 305 K N 1.625 122.202 120.400 0.295 0.000 2.160 305 K HA -0.241 4.084 4.320 0.009 0.000 0.206 305 K C 1.328 177.828 176.600 -0.167 0.000 1.047 305 K CA 2.277 58.553 56.287 -0.017 0.000 0.930 305 K CB -0.037 32.542 32.500 0.131 0.000 0.720 305 K HN 0.378 nan 8.250 nan 0.000 0.450 306 D N -0.612 119.776 120.400 -0.019 0.000 2.328 306 D HA -0.075 4.570 4.640 0.009 0.000 0.226 306 D C 0.211 176.467 176.300 -0.074 0.000 1.066 306 D CA 0.310 54.276 54.000 -0.056 0.000 0.861 306 D CB 0.040 40.823 40.800 -0.030 0.000 0.912 306 D HN 0.277 nan 8.370 nan 0.000 0.521 307 L N 1.149 122.319 121.223 -0.089 0.000 2.928 307 L HA 0.138 4.483 4.340 0.009 0.000 0.318 307 L C 0.091 176.850 176.870 -0.186 0.000 1.305 307 L CA -0.322 54.478 54.840 -0.067 0.000 0.756 307 L CB 1.003 43.100 42.059 0.064 0.000 1.155 307 L HN -0.164 nan 8.230 nan 0.000 0.561 308 D N -1.706 118.420 120.400 -0.457 0.000 2.352 308 D HA -0.088 4.557 4.640 0.009 0.000 0.232 308 D C 0.562 176.708 176.300 -0.257 0.000 1.055 308 D CA 0.349 53.839 54.000 -0.850 0.000 0.891 308 D CB 0.105 40.135 40.800 -1.284 0.000 0.897 308 D HN 0.130 nan 8.370 nan 0.000 0.529 309 N N 0.590 119.224 118.700 -0.111 0.000 2.716 309 N HA 0.146 4.891 4.740 0.009 0.000 0.253 309 N C 0.137 175.633 175.510 -0.024 0.000 1.170 309 N CA -0.453 52.595 53.050 -0.004 0.000 0.807 309 N CB 0.515 39.002 38.487 0.000 0.000 1.183 309 N HN 0.045 nan 8.380 nan 0.000 0.524 310 L N 1.354 122.523 121.223 -0.091 0.000 2.610 310 L HA 0.094 4.440 4.340 0.009 0.000 0.232 310 L C 0.879 177.651 176.870 -0.163 0.000 1.149 310 L CA 0.468 55.098 54.840 -0.350 0.000 0.872 310 L CB -0.193 41.205 42.059 -1.102 0.000 0.992 310 L HN 0.466 nan 8.230 nan 0.000 0.447 311 N N -0.457 118.299 118.700 0.093 0.000 2.353 311 N HA -0.052 4.693 4.740 0.009 0.000 0.185 311 N C 0.694 176.301 175.510 0.161 0.000 1.098 311 N CA -0.128 53.056 53.050 0.224 0.000 0.872 311 N CB 0.253 38.881 38.487 0.235 0.000 0.970 311 N HN 0.161 nan 8.380 nan 0.000 0.467 312 N N 0.883 119.638 118.700 0.093 0.000 2.437 312 N HA -0.001 4.745 4.740 0.009 0.000 0.243 312 N C 0.857 176.420 175.510 0.088 0.000 1.041 312 N CA 0.020 53.118 53.050 0.080 0.000 0.940 312 N CB 0.940 39.449 38.487 0.037 0.000 1.133 312 N HN 0.097 nan 8.380 nan 0.000 0.506 313 S N 3.233 119.025 115.700 0.155 0.000 2.420 313 S HA -0.203 4.272 4.470 0.009 0.000 0.237 313 S C 1.755 176.403 174.600 0.080 0.000 1.023 313 S CA 1.130 59.436 58.200 0.176 0.000 0.991 313 S CB -0.199 63.206 63.200 0.340 0.000 0.792 313 S HN 0.575 nan 8.310 nan 0.000 0.488 314 A N 1.094 123.951 122.820 0.061 0.000 1.968 314 A HA 0.033 4.359 4.320 0.009 0.000 0.217 314 A C 2.307 179.901 177.584 0.016 0.000 1.169 314 A CA 1.115 53.172 52.037 0.034 0.000 0.638 314 A CB -0.583 18.420 19.000 0.005 0.000 0.812 314 A HN 0.657 nan 8.150 nan 0.000 0.446 315 Q N -1.165 118.639 119.800 0.006 0.000 2.230 315 Q HA -0.051 4.294 4.340 0.009 0.000 0.202 315 Q C 1.965 177.960 176.000 -0.007 0.000 0.963 315 Q CA 1.021 56.819 55.803 -0.009 0.000 0.866 315 Q CB -0.174 28.549 28.738 -0.024 0.000 0.931 315 Q HN 0.587 nan 8.270 nan 0.000 0.452 316 L N 0.170 121.384 121.223 -0.015 0.000 2.027 316 L HA -0.129 4.216 4.340 0.009 0.000 0.206 316 L C 2.130 179.050 176.870 0.085 0.000 1.074 316 L CA 1.883 56.713 54.840 -0.016 0.000 0.745 316 L CB -0.728 41.301 42.059 -0.050 0.000 0.898 316 L HN 0.047 nan 8.230 nan 0.000 0.433 317 T N -0.060 114.519 114.554 0.041 0.000 2.720 317 T HA -0.183 4.173 4.350 0.009 0.000 0.268 317 T C 1.875 176.624 174.700 0.082 0.000 1.037 317 T CA 1.413 63.543 62.100 0.050 0.000 1.144 317 T CB -0.514 68.382 68.868 0.047 0.000 0.864 317 T HN 0.528 nan 8.240 nan 0.000 0.444 318 A N 1.016 123.863 122.820 0.045 0.000 1.933 318 A HA -0.110 4.216 4.320 0.009 0.000 0.218 318 A C 2.537 180.128 177.584 0.011 0.000 1.175 318 A CA 1.985 54.028 52.037 0.010 0.000 0.628 318 A CB -1.099 17.888 19.000 -0.021 0.000 0.814 318 A HN 0.473 nan 8.150 nan 0.000 0.444 319 T N -1.454 113.133 114.554 0.055 0.000 2.777 319 T HA -0.119 4.236 4.350 0.009 0.000 0.266 319 T C 1.707 176.464 174.700 0.096 0.000 1.040 319 T CA 1.615 63.786 62.100 0.120 0.000 1.141 319 T CB -0.405 68.528 68.868 0.108 0.000 0.868 319 T HN 0.535 nan 8.240 nan 0.000 0.444 320 Y N 1.481 121.805 120.300 0.040 0.000 2.224 320 Y HA -0.031 4.525 4.550 0.009 0.000 0.289 320 Y C 2.636 178.539 175.900 0.006 0.000 1.146 320 Y CA 0.989 59.096 58.100 0.012 0.000 1.182 320 Y CB -0.179 38.230 38.460 -0.084 0.000 0.983 320 Y HN 0.051 nan 8.280 nan 0.000 0.524 321 R N -0.404 120.177 120.500 0.135 0.000 2.120 321 R HA -0.129 4.216 4.340 0.009 0.000 0.234 321 R C 2.271 178.570 176.300 -0.001 0.000 1.123 321 R CA 1.124 57.255 56.100 0.052 0.000 0.975 321 R CB -0.183 30.126 30.300 0.015 0.000 0.866 321 R HN 0.309 nan 8.270 nan 0.000 0.446 322 R N 0.338 120.801 120.500 -0.062 0.000 2.092 322 R HA -0.057 4.288 4.340 0.009 0.000 0.231 322 R C 2.205 178.491 176.300 -0.023 0.000 1.119 322 R CA 1.068 57.060 56.100 -0.180 0.000 0.970 322 R CB -0.218 29.728 30.300 -0.589 0.000 0.864 322 R HN 0.222 nan 8.270 nan 0.000 0.440 323 L N 0.198 121.483 121.223 0.104 0.000 2.093 323 L HA -0.124 4.222 4.340 0.009 0.000 0.208 323 L C 2.474 179.419 176.870 0.124 0.000 1.085 323 L CA 1.129 56.065 54.840 0.161 0.000 0.755 323 L CB -0.390 41.776 42.059 0.179 0.000 0.904 323 L HN 0.256 nan 8.230 nan 0.000 0.435 324 E N 0.416 120.680 120.200 0.106 0.000 2.110 324 E HA -0.250 4.105 4.350 0.009 0.000 0.193 324 E C 1.501 178.142 176.600 0.067 0.000 0.988 324 E CA 1.337 57.792 56.400 0.093 0.000 0.804 324 E CB 0.160 29.905 29.700 0.076 0.000 0.745 324 E HN 0.387 nan 8.360 nan 0.000 0.458 325 D N 0.194 120.615 120.400 0.035 0.000 2.219 325 D HA -0.113 4.532 4.640 0.009 0.000 0.205 325 D C 1.915 178.239 176.300 0.040 0.000 0.970 325 D CA 0.593 54.603 54.000 0.016 0.000 0.851 325 D CB 0.008 40.793 40.800 -0.025 0.000 0.943 325 D HN 0.264 nan 8.370 nan 0.000 0.488 326 L N 0.229 121.487 121.223 0.058 0.000 2.072 326 L HA -0.056 4.289 4.340 0.009 0.000 0.205 326 L C 2.471 179.394 176.870 0.087 0.000 1.079 326 L CA 0.922 55.803 54.840 0.070 0.000 0.752 326 L CB -0.409 41.700 42.059 0.083 0.000 0.906 326 L HN -0.024 nan 8.230 nan 0.000 0.436 327 A N 0.418 123.303 122.820 0.110 0.000 1.940 327 A HA -0.238 4.087 4.320 0.009 0.000 0.219 327 A C 2.292 179.962 177.584 0.142 0.000 1.176 327 A CA 1.756 53.879 52.037 0.143 0.000 0.631 327 A CB -0.356 18.745 19.000 0.168 0.000 0.814 327 A HN 0.329 nan 8.150 nan 0.000 0.446 328 K N -0.814 119.653 120.400 0.111 0.000 2.063 328 K HA -0.156 4.170 4.320 0.009 0.000 0.208 328 K C 2.241 178.921 176.600 0.134 0.000 1.048 328 K CA 1.539 57.890 56.287 0.108 0.000 0.928 328 K CB -0.125 32.413 32.500 0.062 0.000 0.713 328 K HN 0.422 nan 8.250 nan 0.000 0.442 329 Q N 0.359 120.229 119.800 0.117 0.000 2.212 329 Q HA 0.046 4.391 4.340 0.009 0.000 0.199 329 Q C 2.174 178.272 176.000 0.163 0.000 0.950 329 Q CA 0.812 56.687 55.803 0.120 0.000 0.863 329 Q CB 0.026 28.813 28.738 0.083 0.000 0.944 329 Q HN 0.363 nan 8.270 nan 0.000 0.465 330 I N 1.257 121.915 120.570 0.146 0.000 2.335 330 I HA -0.238 3.937 4.170 0.009 0.000 0.251 330 I C 1.777 178.056 176.117 0.269 0.000 1.129 330 I CA 1.734 63.119 61.300 0.141 0.000 1.402 330 I CB -0.079 37.956 38.000 0.058 0.000 1.069 330 I HN 0.206 nan 8.210 nan 0.000 0.424 331 T N -2.951 111.781 114.554 0.297 0.000 3.145 331 T HA 0.114 4.469 4.350 0.009 0.000 0.255 331 T C 0.440 175.344 174.700 0.341 0.000 1.039 331 T CA -0.390 61.932 62.100 0.369 0.000 0.928 331 T CB -0.458 68.584 68.868 0.291 0.000 1.029 331 T HN 0.052 nan 8.240 nan 0.000 0.554 332 N N 2.107 120.972 118.700 0.276 0.000 2.501 332 N HA 0.374 5.119 4.740 0.009 0.000 0.245 332 N C -2.288 173.040 175.510 -0.303 0.000 0.974 332 N CA -2.668 50.407 53.050 0.041 0.000 0.941 332 N CB 2.044 40.557 38.487 0.044 0.000 1.122 332 N HN -0.099 nan 8.380 nan 0.000 0.507 333 P HA -0.087 nan 4.420 nan 0.000 0.222 333 P C -0.224 176.497 177.300 -0.966 0.000 1.142 333 P CA 1.391 63.577 63.100 -1.524 0.000 0.788 333 P CB 0.106 31.196 31.700 -1.017 0.000 0.767 334 H N -2.440 116.316 119.070 -0.523 0.000 2.505 334 H HA 0.296 4.857 4.556 0.009 0.000 0.286 334 H C 0.596 175.708 175.328 -0.361 0.000 1.072 334 H CA -0.153 55.615 56.048 -0.465 0.000 1.141 334 H CB 0.071 29.367 29.762 -0.777 0.000 1.550 334 H HN -0.004 nan 8.280 nan 0.000 0.547 335 S N 0.018 115.622 115.700 -0.159 0.000 2.651 335 S HA 0.121 4.596 4.470 0.009 0.000 0.291 335 S C 1.559 176.166 174.600 0.012 0.000 1.141 335 S CA -0.264 57.908 58.200 -0.048 0.000 1.027 335 S CB 1.069 64.279 63.200 0.018 0.000 1.043 335 S HN 0.390 nan 8.310 nan 0.000 0.530 336 T N 0.850 115.417 114.554 0.022 0.000 3.118 336 T HA 0.064 4.419 4.350 0.009 0.000 0.260 336 T C 1.226 175.957 174.700 0.050 0.000 1.139 336 T CA 0.928 63.047 62.100 0.032 0.000 1.085 336 T CB -0.853 68.027 68.868 0.021 0.000 0.934 336 T HN 0.761 nan 8.240 nan 0.000 0.518 337 I N -2.713 117.897 120.570 0.068 0.000 3.707 337 I HA 0.462 4.638 4.170 0.009 0.000 0.330 337 I C -0.112 176.064 176.117 0.099 0.000 1.572 337 I CA -1.411 59.926 61.300 0.062 0.000 1.104 337 I CB -0.236 37.788 38.000 0.040 0.000 1.240 337 I HN -0.105 nan 8.210 nan 0.000 0.475 338 Y N 3.925 124.220 120.300 -0.008 0.000 2.729 338 Y HA 0.077 4.632 4.550 0.009 0.000 0.331 338 Y C 1.138 177.052 175.900 0.024 0.000 1.208 338 Y CA 0.075 58.178 58.100 0.005 0.000 1.521 338 Y CB 0.226 38.668 38.460 -0.030 0.000 1.233 338 Y HN 0.389 nan 8.280 nan 0.000 0.539 339 K N 2.652 122.859 120.400 -0.320 0.000 3.130 339 K HA -0.382 3.944 4.320 0.009 0.000 0.282 339 K C -0.146 176.372 176.600 -0.137 0.000 1.145 339 K CA 0.940 57.066 56.287 -0.269 0.000 0.831 339 K CB -1.190 31.018 32.500 -0.486 0.000 1.226 339 K HN 0.796 nan 8.250 nan 0.000 0.478 340 N N 1.581 120.222 118.700 -0.099 0.000 2.431 340 N HA -0.045 4.700 4.740 0.009 0.000 0.265 340 N C 0.940 176.392 175.510 -0.097 0.000 1.184 340 N CA 0.549 53.561 53.050 -0.064 0.000 0.943 340 N CB 0.918 39.387 38.487 -0.029 0.000 1.080 340 N HN 0.326 nan 8.380 nan 0.000 0.477 341 E N 3.953 124.113 120.200 -0.068 0.000 2.085 341 E HA -0.275 4.081 4.350 0.009 0.000 0.194 341 E C 1.592 178.140 176.600 -0.087 0.000 0.994 341 E CA 1.421 57.770 56.400 -0.084 0.000 0.801 341 E CB 0.122 29.807 29.700 -0.025 0.000 0.743 341 E HN 0.647 nan 8.360 nan 0.000 0.453 342 K N 0.270 120.636 120.400 -0.055 0.000 2.057 342 K HA -0.127 4.198 4.320 0.009 0.000 0.207 342 K C 1.906 178.473 176.600 -0.054 0.000 1.049 342 K CA 1.453 57.712 56.287 -0.048 0.000 0.931 342 K CB -0.275 32.208 32.500 -0.029 0.000 0.714 342 K HN 0.177 nan 8.250 nan 0.000 0.440 343 A N 0.784 123.572 122.820 -0.053 0.000 1.898 343 A HA -0.054 4.272 4.320 0.009 0.000 0.216 343 A C 2.157 179.694 177.584 -0.079 0.000 1.181 343 A CA 1.455 53.468 52.037 -0.040 0.000 0.620 343 A CB -0.567 18.419 19.000 -0.023 0.000 0.819 343 A HN 0.355 nan 8.150 nan 0.000 0.442 344 I N -0.667 119.805 120.570 -0.163 0.000 2.179 344 I HA -0.280 3.896 4.170 0.009 0.000 0.242 344 I C 2.742 178.734 176.117 -0.208 0.000 1.088 344 I CA 1.438 62.574 61.300 -0.272 0.000 1.357 344 I CB -0.276 37.420 38.000 -0.506 0.000 1.051 344 I HN 0.266 nan 8.210 nan 0.000 0.409 345 R N -0.187 120.213 120.500 -0.165 0.000 2.120 345 R HA -0.116 4.230 4.340 0.009 0.000 0.234 345 R C 2.253 178.506 176.300 -0.079 0.000 1.123 345 R CA 1.736 57.761 56.100 -0.125 0.000 0.975 345 R CB -0.582 29.661 30.300 -0.094 0.000 0.866 345 R HN 0.362 nan 8.270 nan 0.000 0.446 346 T N 0.625 115.142 114.554 -0.062 0.000 2.788 346 T HA -0.084 4.271 4.350 0.009 0.000 0.268 346 T C 1.966 176.663 174.700 -0.004 0.000 1.044 346 T CA 1.159 63.235 62.100 -0.040 0.000 1.139 346 T CB -0.057 68.804 68.868 -0.011 0.000 0.867 346 T HN -0.000 nan 8.240 nan 0.000 0.454 347 V N 1.456 121.382 119.914 0.020 0.000 2.323 347 V HA -0.127 3.998 4.120 0.009 0.000 0.244 347 V C 2.493 178.672 176.094 0.141 0.000 1.041 347 V CA 1.459 63.820 62.300 0.101 0.000 1.025 347 V CB -0.402 31.507 31.823 0.144 0.000 0.656 347 V HN 0.445 nan 8.190 nan 0.000 0.451 348 K N -0.036 120.395 120.400 0.051 0.000 2.026 348 K HA -0.215 4.110 4.320 0.009 0.000 0.208 348 K C 2.126 178.787 176.600 0.102 0.000 1.048 348 K CA 1.782 58.104 56.287 0.059 0.000 0.929 348 K CB -0.230 32.152 32.500 -0.197 0.000 0.713 348 K HN 0.546 nan 8.250 nan 0.000 0.439 349 E N 0.508 120.731 120.200 0.038 0.000 2.106 349 E HA -0.102 4.253 4.350 0.009 0.000 0.192 349 E C 2.098 178.748 176.600 0.082 0.000 0.984 349 E CA 1.106 57.538 56.400 0.053 0.000 0.806 349 E CB 0.095 29.788 29.700 -0.012 0.000 0.750 349 E HN 0.156 nan 8.360 nan 0.000 0.458 350 S N 0.796 116.516 115.700 0.032 0.000 2.387 350 S HA -0.043 4.432 4.470 0.009 0.000 0.226 350 S C 1.965 176.612 174.600 0.078 0.000 1.026 350 S CA 0.553 58.770 58.200 0.029 0.000 0.972 350 S CB -0.048 63.119 63.200 -0.054 0.000 0.814 350 S HN 0.192 nan 8.310 nan 0.000 0.477 351 L N 1.063 122.303 121.223 0.029 0.000 2.056 351 L HA -0.102 4.244 4.340 0.009 0.000 0.207 351 L C 2.831 179.577 176.870 -0.207 0.000 1.078 351 L CA 1.292 56.056 54.840 -0.126 0.000 0.749 351 L CB -0.809 41.106 42.059 -0.240 0.000 0.901 351 L HN 0.344 nan 8.230 nan 0.000 0.433 352 A N -0.647 122.163 122.820 -0.017 0.000 1.902 352 A HA -0.279 4.046 4.320 0.009 0.000 0.217 352 A C 2.008 179.773 177.584 0.300 0.000 1.181 352 A CA 1.575 53.751 52.037 0.231 0.000 0.623 352 A CB -1.011 18.183 19.000 0.322 0.000 0.818 352 A HN 0.616 nan 8.150 nan 0.000 0.443 353 W N 0.462 121.810 121.300 0.081 0.000 2.381 353 W HA -0.079 4.586 4.660 0.009 0.000 0.301 353 W C 1.715 178.309 176.519 0.125 0.000 1.205 353 W CA 1.679 59.072 57.345 0.081 0.000 1.285 353 W CB -0.196 29.279 29.460 0.024 0.000 1.133 353 W HN 0.241 nan 8.180 nan 0.000 0.521 354 L N -0.269 121.142 121.223 0.313 0.000 2.093 354 L HA -0.227 4.118 4.340 0.009 0.000 0.208 354 L C 2.562 179.566 176.870 0.222 0.000 1.085 354 L CA 1.810 56.775 54.840 0.208 0.000 0.755 354 L CB -1.129 40.952 42.059 0.038 0.000 0.904 354 L HN 0.124 nan 8.230 nan 0.000 0.435 355 H N -0.094 119.070 119.070 0.157 0.000 2.299 355 H HA -0.225 4.336 4.556 0.009 0.000 0.302 355 H C 2.309 177.707 175.328 0.117 0.000 1.078 355 H CA 2.134 58.317 56.048 0.225 0.000 1.323 355 H CB 0.011 29.955 29.762 0.304 0.000 1.381 355 H HN 0.265 nan 8.280 nan 0.000 0.498 356 Q N -0.187 119.531 119.800 -0.138 0.000 2.084 356 Q HA -0.153 4.192 4.340 0.009 0.000 0.202 356 Q C 1.306 177.089 176.000 -0.361 0.000 0.978 356 Q CA 2.066 57.709 55.803 -0.267 0.000 0.844 356 Q CB 0.052 28.723 28.738 -0.112 0.000 0.898 356 Q HN 0.670 nan 8.270 nan 0.000 0.426 357 N N -1.925 116.478 118.700 -0.495 0.000 2.388 357 N HA 0.087 4.832 4.740 0.009 0.000 0.176 357 N C 0.322 175.298 175.510 -0.889 0.000 1.062 357 N CA 0.537 53.124 53.050 -0.771 0.000 0.895 357 N CB 0.445 38.206 38.487 -1.212 0.000 1.018 357 N HN 0.149 nan 8.380 nan 0.000 0.456 358 F N -2.171 117.683 119.950 -0.159 0.000 2.815 358 F HA 0.302 4.835 4.527 0.009 0.000 0.328 358 F C -0.533 175.399 175.800 0.220 0.000 0.982 358 F CA -0.447 57.573 58.000 0.034 0.000 1.154 358 F CB 0.740 39.764 39.000 0.039 0.000 0.980 358 F HN -0.146 nan 8.300 nan 0.000 0.603 359 Y N 2.636 123.076 120.300 0.234 0.000 2.594 359 Y HA 0.410 4.965 4.550 0.009 0.000 0.338 359 Y C -0.719 175.329 175.900 0.248 0.000 1.019 359 Y CA -1.405 56.857 58.100 0.269 0.000 1.306 359 Y CB 0.021 38.633 38.460 0.254 0.000 1.094 359 Y HN 0.198 nan 8.280 nan 0.000 0.534 360 N N -0.243 118.442 118.700 -0.026 0.000 2.853 360 N HA 0.299 5.044 4.740 0.009 0.000 0.258 360 N C 0.208 175.596 175.510 -0.203 0.000 1.444 360 N CA -0.472 52.519 53.050 -0.099 0.000 0.837 360 N CB 0.745 39.033 38.487 -0.331 0.000 1.489 360 N HN 0.081 nan 8.380 nan 0.000 0.529 361 V N -2.648 117.107 119.914 -0.265 0.000 2.828 361 V HA -0.066 4.060 4.120 0.009 0.000 0.260 361 V C 0.515 176.144 176.094 -0.775 0.000 1.101 361 V CA 1.377 63.301 62.300 -0.628 0.000 1.123 361 V CB -0.859 30.715 31.823 -0.414 0.000 0.704 361 V HN 0.654 nan 8.190 nan 0.000 0.493 362 N N 0.307 118.777 118.700 -0.383 0.000 2.398 362 N HA 0.103 4.848 4.740 0.009 0.000 0.188 362 N C 0.396 175.817 175.510 -0.148 0.000 1.122 362 N CA 0.276 53.167 53.050 -0.264 0.000 0.866 362 N CB 0.139 38.528 38.487 -0.164 0.000 0.970 362 N HN 0.560 nan 8.380 nan 0.000 0.462 363 K N 1.043 121.397 120.400 -0.076 0.000 2.090 363 K HA 0.306 4.631 4.320 0.009 0.000 0.249 363 K C -0.297 176.519 176.600 0.359 0.000 0.995 363 K CA -0.305 56.095 56.287 0.188 0.000 0.914 363 K CB 1.201 33.945 32.500 0.406 0.000 1.057 363 K HN -0.058 nan 8.250 nan 0.000 0.462 364 D N 0.769 121.360 120.400 0.319 0.000 2.601 364 D HA 0.341 4.986 4.640 0.009 0.000 0.230 364 D C -0.035 176.253 176.300 -0.020 0.000 1.106 364 D CA -0.576 53.595 54.000 0.284 0.000 0.873 364 D CB 1.812 42.688 40.800 0.127 0.000 1.515 364 D HN 0.277 nan 8.370 nan 0.000 0.468 365 I N 2.143 122.622 120.570 -0.151 0.000 2.389 365 I HA -0.022 4.154 4.170 0.009 0.000 0.295 365 I C 0.940 176.913 176.117 -0.241 0.000 1.117 365 I CA -0.136 60.812 61.300 -0.588 0.000 1.317 365 I CB 0.144 37.920 38.000 -0.373 0.000 1.431 365 I HN -0.015 nan 8.210 nan 0.000 0.521 366 E N 4.354 124.423 120.200 -0.218 0.000 2.408 366 E HA 0.038 4.393 4.350 0.009 0.000 0.259 366 E C 1.284 177.870 176.600 -0.024 0.000 1.110 366 E CA 0.190 56.553 56.400 -0.061 0.000 0.929 366 E CB 0.788 30.484 29.700 -0.006 0.000 0.971 366 E HN 0.724 nan 8.360 nan 0.000 0.438 367 G N 1.135 109.940 108.800 0.008 0.000 2.469 367 G HA2 -0.313 3.652 3.960 0.009 0.000 0.220 367 G HA3 -0.313 3.652 3.960 0.009 0.000 0.220 367 G C 1.407 176.328 174.900 0.035 0.000 1.136 367 G CA 1.425 46.539 45.100 0.024 0.000 0.759 367 G HN 0.493 nan 8.290 nan 0.000 0.562 368 S N 0.012 115.735 115.700 0.039 0.000 2.496 368 S HA 0.569 5.045 4.470 0.009 0.000 0.224 368 S C 1.318 175.956 174.600 0.064 0.000 0.996 368 S CA 0.528 58.758 58.200 0.051 0.000 0.927 368 S CB 0.050 63.282 63.200 0.054 0.000 0.774 368 S HN 0.620 nan 8.310 nan 0.000 0.524 369 A N 2.155 125.010 122.820 0.058 0.000 2.332 369 A HA 0.556 4.882 4.320 0.009 0.000 0.258 369 A C 0.143 177.785 177.584 0.097 0.000 1.087 369 A CA -0.522 51.567 52.037 0.086 0.000 0.802 369 A CB 0.025 19.028 19.000 0.005 0.000 1.042 369 A HN 0.377 nan 8.150 nan 0.000 0.489 370 N N 1.417 120.201 118.700 0.141 0.000 2.444 370 N HA 0.115 4.860 4.740 0.009 0.000 0.262 370 N C 1.124 176.699 175.510 0.109 0.000 0.974 370 N CA -0.910 52.203 53.050 0.106 0.000 0.933 370 N CB 0.472 38.983 38.487 0.040 0.000 1.137 370 N HN 0.755 nan 8.380 nan 0.000 0.498 371 W N 3.375 124.765 121.300 0.150 0.000 2.313 371 W HA -0.198 4.467 4.660 0.008 0.000 0.293 371 W C 1.042 177.665 176.519 0.174 0.000 1.216 371 W CA 0.201 57.627 57.345 0.135 0.000 1.223 371 W CB -1.049 28.492 29.460 0.135 0.000 1.138 371 W HN 0.659 nan 8.180 nan 0.000 0.535 372 W N 2.939 123.383 121.300 -1.428 0.000 2.338 372 W HA -0.209 4.456 4.660 0.008 0.000 0.304 372 W C 2.149 178.335 176.519 -0.555 0.000 1.212 372 W CA 2.660 59.152 57.345 -1.423 0.000 1.264 372 W CB -0.444 28.264 29.460 -1.252 0.000 1.142 372 W HN -0.168 nan 8.180 nan 0.000 0.512 373 D N -0.699 119.680 120.400 -0.035 0.000 2.117 373 D HA -0.171 4.475 4.640 0.009 0.000 0.198 373 D C 1.950 178.106 176.300 -0.239 0.000 0.982 373 D CA 1.419 55.382 54.000 -0.061 0.000 0.828 373 D CB -0.701 40.150 40.800 0.085 0.000 0.967 373 D HN 0.179 nan 8.370 nan 0.000 0.464 374 F N 1.301 121.130 119.950 -0.203 0.000 2.367 374 F HA 0.013 4.545 4.527 0.009 0.000 0.298 374 F C 2.208 177.947 175.800 -0.102 0.000 1.094 374 F CA 0.812 58.704 58.000 -0.180 0.000 1.409 374 F CB 0.168 38.936 39.000 -0.387 0.000 1.064 374 F HN -0.073 nan 8.300 nan 0.000 0.528 375 E N -1.223 118.995 120.200 0.029 0.000 2.447 375 E HA 0.176 4.531 4.350 0.009 0.000 0.204 375 E C 1.569 178.092 176.600 -0.128 0.000 0.977 375 E CA 0.416 56.884 56.400 0.114 0.000 0.950 375 E CB 0.634 30.581 29.700 0.412 0.000 0.975 375 E HN 0.370 nan 8.360 nan 0.000 0.496 376 I N -0.588 119.620 120.570 -0.603 0.000 3.746 376 I HA 0.111 4.287 4.170 0.009 0.000 0.262 376 I C 2.222 177.803 176.117 -0.892 0.000 1.153 376 I CA 0.382 61.187 61.300 -0.826 0.000 1.395 376 I CB -0.083 37.047 38.000 -1.450 0.000 1.589 376 I HN 0.049 nan 8.210 nan 0.000 0.441 377 G N 1.353 109.387 108.800 -1.276 0.000 2.587 377 G HA2 -0.205 3.760 3.960 0.009 0.000 0.217 377 G HA3 -0.205 3.760 3.960 0.009 0.000 0.217 377 G C 1.598 176.234 174.900 -0.440 0.000 1.240 377 G CA 1.470 46.141 45.100 -0.714 0.000 0.794 377 G HN 0.147 nan 8.290 nan 0.000 0.580 378 V N 2.316 121.914 119.914 -0.526 0.000 2.261 378 V HA -0.106 4.019 4.120 0.009 0.000 0.246 378 V C 0.413 176.117 176.094 -0.649 0.000 1.047 378 V CA 2.350 64.200 62.300 -0.750 0.000 1.015 378 V CB -1.169 29.927 31.823 -1.213 0.000 0.642 378 V HN 0.289 nan 8.190 nan 0.000 0.446 379 P HA -0.177 nan 4.420 nan 0.000 0.216 379 P C 1.740 178.933 177.300 -0.179 0.000 1.153 379 P CA 1.580 64.545 63.100 -0.226 0.000 0.858 379 P CB -0.133 31.523 31.700 -0.073 0.000 0.789 380 R N -0.898 119.488 120.500 -0.190 0.000 2.081 380 R HA -0.089 4.256 4.340 0.009 0.000 0.235 380 R C 2.565 178.832 176.300 -0.056 0.000 1.131 380 R CA 1.749 57.796 56.100 -0.088 0.000 0.960 380 R CB -1.074 29.174 30.300 -0.087 0.000 0.856 380 R HN 0.185 nan 8.270 nan 0.000 0.436 381 S N 0.632 116.258 115.700 -0.125 0.000 2.355 381 S HA -0.064 4.411 4.470 0.009 0.000 0.222 381 S C 1.962 176.525 174.600 -0.062 0.000 1.031 381 S CA 0.892 59.052 58.200 -0.068 0.000 0.993 381 S CB -0.084 63.076 63.200 -0.068 0.000 0.859 381 S HN 0.183 nan 8.310 nan 0.000 0.453 382 I N 1.501 121.956 120.570 -0.191 0.000 2.179 382 I HA -0.197 3.978 4.170 0.009 0.000 0.242 382 I C 2.759 178.846 176.117 -0.050 0.000 1.088 382 I CA 1.764 62.980 61.300 -0.139 0.000 1.357 382 I CB -0.842 37.019 38.000 -0.231 0.000 1.051 382 I HN 0.496 nan 8.210 nan 0.000 0.409 383 T N -1.271 113.262 114.554 -0.035 0.000 2.788 383 T HA -0.092 4.263 4.350 0.009 0.000 0.268 383 T C 1.996 176.747 174.700 0.085 0.000 1.044 383 T CA 1.114 63.219 62.100 0.009 0.000 1.139 383 T CB -1.223 67.642 68.868 -0.004 0.000 0.867 383 T HN 0.441 nan 8.240 nan 0.000 0.454 384 G N 1.259 110.131 108.800 0.120 0.000 2.421 384 G HA2 -0.187 3.778 3.960 0.009 0.000 0.216 384 G HA3 -0.187 3.778 3.960 0.009 0.000 0.216 384 G C 1.723 176.709 174.900 0.145 0.000 1.171 384 G CA 1.387 46.604 45.100 0.194 0.000 0.775 384 G HN 0.511 nan 8.290 nan 0.000 0.543 385 T N 1.336 115.947 114.554 0.095 0.000 2.674 385 T HA -0.031 4.325 4.350 0.009 0.000 0.265 385 T C 2.435 177.180 174.700 0.076 0.000 1.039 385 T CA 0.981 63.141 62.100 0.100 0.000 1.150 385 T CB -0.252 68.671 68.868 0.093 0.000 0.864 385 T HN 0.136 nan 8.240 nan 0.000 0.427 386 L N 0.778 121.981 121.223 -0.033 0.000 2.191 386 L HA -0.071 4.274 4.340 0.009 0.000 0.212 386 L C 2.807 179.706 176.870 0.048 0.000 1.103 386 L CA 0.837 55.602 54.840 -0.125 0.000 0.769 386 L CB -0.514 41.431 42.059 -0.190 0.000 0.908 386 L HN 0.276 nan 8.230 nan 0.000 0.438 387 S N 0.082 115.847 115.700 0.109 0.000 2.357 387 S HA -0.078 4.397 4.470 0.009 0.000 0.221 387 S C 1.987 176.704 174.600 0.195 0.000 1.031 387 S CA 0.863 59.167 58.200 0.173 0.000 0.982 387 S CB -0.069 63.297 63.200 0.276 0.000 0.853 387 S HN 0.265 nan 8.310 nan 0.000 0.458 388 L N 0.599 121.941 121.223 0.197 0.000 1.994 388 L HA 0.042 4.388 4.340 0.009 0.000 0.208 388 L C 1.889 178.909 176.870 0.249 0.000 1.071 388 L CA 1.217 56.178 54.840 0.201 0.000 0.745 388 L CB -0.293 41.876 42.059 0.183 0.000 0.892 388 L HN 0.335 nan 8.230 nan 0.000 0.431 389 M N -0.248 119.540 119.600 0.313 0.000 2.723 389 M HA 0.043 4.529 4.480 0.009 0.000 0.270 389 M C 1.015 177.594 176.300 0.466 0.000 1.282 389 M CA -0.156 55.424 55.300 0.467 0.000 0.995 389 M CB -0.176 32.792 32.600 0.614 0.000 1.430 389 M HN 0.142 nan 8.290 nan 0.000 0.477 390 N N 2.703 121.572 118.700 0.281 0.000 2.060 390 N HA -0.236 4.509 4.740 0.009 0.000 0.195 390 N C 1.293 176.915 175.510 0.185 0.000 1.028 390 N CA 2.222 55.399 53.050 0.213 0.000 0.861 390 N CB -0.008 38.564 38.487 0.142 0.000 1.029 390 N HN 0.496 nan 8.380 nan 0.000 0.428 391 N N -1.336 117.408 118.700 0.074 0.000 2.449 391 N HA -0.083 4.663 4.740 0.009 0.000 0.191 391 N C 0.162 175.559 175.510 -0.188 0.000 1.161 391 N CA 0.562 53.570 53.050 -0.069 0.000 0.863 391 N CB -0.494 37.898 38.487 -0.158 0.000 0.980 391 N HN 0.364 nan 8.380 nan 0.000 0.458 392 Y N -0.851 119.498 120.300 0.081 0.000 2.449 392 Y HA 0.407 4.962 4.550 0.009 0.000 0.254 392 Y C -0.257 175.490 175.900 -0.254 0.000 1.140 392 Y CA -0.695 57.335 58.100 -0.117 0.000 1.272 392 Y CB 0.284 38.647 38.460 -0.162 0.000 1.114 392 Y HN -0.122 nan 8.280 nan 0.000 0.525 393 F N -0.215 119.807 119.950 0.120 0.000 2.508 393 F HA 0.403 4.935 4.527 0.009 0.000 0.325 393 F C 0.634 176.452 175.800 0.031 0.000 1.090 393 F CA -1.534 56.516 58.000 0.082 0.000 0.945 393 F CB 1.165 40.238 39.000 0.121 0.000 1.156 393 F HN -0.300 nan 8.300 nan 0.000 0.463 394 T N -2.006 112.663 114.554 0.191 0.000 2.899 394 T HA 0.128 4.483 4.350 0.009 0.000 0.295 394 T C 0.675 175.420 174.700 0.074 0.000 1.033 394 T CA -0.730 61.430 62.100 0.099 0.000 1.084 394 T CB 0.919 69.827 68.868 0.066 0.000 0.979 394 T HN 0.491 nan 8.240 nan 0.000 0.532 395 D N 1.358 121.776 120.400 0.031 0.000 2.221 395 D HA -0.056 4.589 4.640 0.009 0.000 0.204 395 D C 2.223 178.494 176.300 -0.048 0.000 0.982 395 D CA 1.438 55.433 54.000 -0.009 0.000 0.857 395 D CB -0.537 40.250 40.800 -0.022 0.000 0.934 395 D HN 0.771 nan 8.370 nan 0.000 0.475 396 A N 0.842 123.634 122.820 -0.046 0.000 1.898 396 A HA -0.178 4.147 4.320 0.009 0.000 0.216 396 A C 2.102 179.590 177.584 -0.161 0.000 1.181 396 A CA 1.266 53.253 52.037 -0.083 0.000 0.620 396 A CB -0.397 18.568 19.000 -0.057 0.000 0.819 396 A HN 0.167 nan 8.150 nan 0.000 0.442 397 E N -0.259 119.848 120.200 -0.154 0.000 2.077 397 E HA -0.136 4.219 4.350 0.009 0.000 0.193 397 E C 1.841 178.142 176.600 -0.499 0.000 0.989 397 E CA 1.234 57.420 56.400 -0.357 0.000 0.800 397 E CB -0.276 29.401 29.700 -0.037 0.000 0.746 397 E HN 0.689 nan 8.360 nan 0.000 0.452 398 I N 1.100 121.555 120.570 -0.192 0.000 2.286 398 I HA -0.297 3.878 4.170 0.009 0.000 0.248 398 I C 2.502 178.531 176.117 -0.148 0.000 1.115 398 I CA 1.149 62.362 61.300 -0.145 0.000 1.392 398 I CB -0.167 37.790 38.000 -0.072 0.000 1.065 398 I HN 0.025 nan 8.210 nan 0.000 0.418 399 K N 0.726 121.032 120.400 -0.157 0.000 2.057 399 K HA -0.148 4.177 4.320 0.009 0.000 0.206 399 K C 2.037 178.550 176.600 -0.145 0.000 1.050 399 K CA 1.836 58.049 56.287 -0.124 0.000 0.935 399 K CB -0.159 32.275 32.500 -0.110 0.000 0.715 399 K HN 0.125 nan 8.250 nan 0.000 0.439 400 T N 0.244 114.635 114.554 -0.270 0.000 2.684 400 T HA -0.145 4.211 4.350 0.009 0.000 0.267 400 T C 1.308 175.840 174.700 -0.280 0.000 1.036 400 T CA 1.544 63.440 62.100 -0.340 0.000 1.148 400 T CB -0.361 68.164 68.868 -0.571 0.000 0.863 400 T HN 0.229 nan 8.240 nan 0.000 0.436 401 Y N 1.704 121.892 120.300 -0.187 0.000 2.439 401 Y HA 0.016 4.571 4.550 0.009 0.000 0.292 401 Y C 2.852 178.786 175.900 0.058 0.000 1.130 401 Y CA 0.622 58.676 58.100 -0.076 0.000 1.254 401 Y CB -1.315 37.111 38.460 -0.056 0.000 1.000 401 Y HN 0.377 nan 8.280 nan 0.000 0.554 402 T N -4.520 110.115 114.554 0.135 0.000 3.044 402 T HA 0.016 4.371 4.350 0.009 0.000 0.250 402 T C 1.354 176.119 174.700 0.109 0.000 1.081 402 T CA 0.425 62.597 62.100 0.121 0.000 1.040 402 T CB -0.049 68.844 68.868 0.042 0.000 0.962 402 T HN -0.010 nan 8.240 nan 0.000 0.506 403 D N 2.879 123.322 120.400 0.072 0.000 2.133 403 D HA -0.072 4.573 4.640 0.009 0.000 0.192 403 D C -0.482 175.858 176.300 0.068 0.000 1.001 403 D CA 1.217 55.246 54.000 0.048 0.000 0.844 403 D CB -1.107 39.710 40.800 0.028 0.000 0.944 403 D HN 0.362 nan 8.370 nan 0.000 0.447 404 P HA -0.094 nan 4.420 nan 0.000 0.219 404 P C 1.836 179.228 177.300 0.154 0.000 1.146 404 P CA 0.856 63.956 63.100 0.000 0.000 0.808 404 P CB -0.079 31.497 31.700 -0.207 0.000 0.779 405 I N -0.164 120.557 120.570 0.250 0.000 2.315 405 I HA -0.173 4.002 4.170 0.009 0.000 0.248 405 I C 2.467 178.691 176.117 0.178 0.000 1.117 405 I CA 1.280 62.754 61.300 0.289 0.000 1.404 405 I CB -0.613 37.514 38.000 0.212 0.000 1.071 405 I HN -0.095 nan 8.210 nan 0.000 0.419 406 E N 0.038 120.299 120.200 0.102 0.000 2.150 406 E HA -0.248 4.108 4.350 0.009 0.000 0.193 406 E C 1.966 178.578 176.600 0.019 0.000 0.985 406 E CA 1.224 57.651 56.400 0.046 0.000 0.814 406 E CB -0.340 29.373 29.700 0.021 0.000 0.752 406 E HN 0.585 nan 8.360 nan 0.000 0.466 407 H N -0.487 118.515 119.070 -0.112 0.000 2.326 407 H HA -0.070 4.492 4.556 0.009 0.000 0.301 407 H C 1.608 176.780 175.328 -0.261 0.000 1.081 407 H CA 1.660 57.547 56.048 -0.268 0.000 1.334 407 H CB -0.253 29.216 29.762 -0.490 0.000 1.385 407 H HN 0.030 nan 8.280 nan 0.000 0.504 408 F N -0.431 119.460 119.950 -0.098 0.000 2.335 408 F HA 0.145 4.677 4.527 0.009 0.000 0.296 408 F C 0.897 176.707 175.800 0.017 0.000 1.091 408 F CA 0.446 58.404 58.000 -0.070 0.000 1.399 408 F CB 0.479 39.576 39.000 0.161 0.000 1.067 408 F HN -0.017 nan 8.300 nan 0.000 0.520 409 V N 1.935 121.974 119.914 0.208 0.000 2.361 409 V HA 0.183 4.308 4.120 0.009 0.000 0.252 409 V C -1.750 174.366 176.094 0.036 0.000 0.986 409 V CA -0.899 61.482 62.300 0.135 0.000 1.033 409 V CB 0.511 32.444 31.823 0.185 0.000 1.282 409 V HN -0.054 nan 8.190 nan 0.000 0.514 410 P HA 0.013 nan 4.420 nan 0.000 0.222 410 P C 0.213 177.490 177.300 -0.039 0.000 1.153 410 P CA 0.939 64.020 63.100 -0.032 0.000 0.798 410 P CB 0.707 32.374 31.700 -0.055 0.000 0.796 411 D N -0.247 120.127 120.400 -0.043 0.000 2.414 411 D HA 0.377 5.022 4.640 0.009 0.000 0.232 411 D C 0.931 177.179 176.300 -0.086 0.000 1.070 411 D CA -0.716 53.262 54.000 -0.035 0.000 0.839 411 D CB 1.396 42.203 40.800 0.011 0.000 1.079 411 D HN -0.145 nan 8.370 nan 0.000 0.521 412 A N 3.853 126.617 122.820 -0.093 0.000 2.225 412 A HA -0.110 4.215 4.320 0.009 0.000 0.215 412 A C 1.383 178.837 177.584 -0.218 0.000 1.164 412 A CA 1.068 53.014 52.037 -0.152 0.000 0.710 412 A CB -0.112 18.831 19.000 -0.094 0.000 0.780 412 A HN 0.677 nan 8.150 nan 0.000 0.473 413 E N -2.306 117.789 120.200 -0.174 0.000 2.476 413 E HA 0.158 4.513 4.350 0.009 0.000 0.199 413 E C -0.959 175.251 176.600 -0.650 0.000 1.021 413 E CA 0.049 56.259 56.400 -0.316 0.000 0.907 413 E CB 0.314 29.902 29.700 -0.185 0.000 0.974 413 E HN 0.714 nan 8.360 nan 0.000 0.489 414 Y N -0.872 119.202 120.300 -0.377 0.000 2.553 414 Y HA 0.403 4.959 4.550 0.009 0.000 0.347 414 Y C -0.492 175.029 175.900 -0.631 0.000 1.019 414 Y CA -1.110 56.720 58.100 -0.450 0.000 1.032 414 Y CB 1.296 39.594 38.460 -0.270 0.000 1.284 414 Y HN -0.212 nan 8.280 nan 0.000 0.466 415 F N 0.632 120.265 119.950 -0.528 0.000 2.556 415 F HA 0.573 5.105 4.527 0.008 0.000 0.327 415 F C 0.489 175.972 175.800 -0.527 0.000 1.059 415 F CA -1.534 56.104 58.000 -0.603 0.000 0.953 415 F CB 1.652 39.995 39.000 -1.095 0.000 1.227 415 F HN 0.458 nan 8.300 nan 0.000 0.478 416 R N 0.534 121.016 120.500 -0.030 0.000 3.641 416 R HA -0.219 4.126 4.340 0.009 0.000 0.286 416 R C 1.120 177.417 176.300 -0.005 0.000 1.153 416 R CA 0.361 56.446 56.100 -0.024 0.000 0.775 416 R CB -0.931 29.274 30.300 -0.159 0.000 1.215 416 R HN 0.539 nan 8.270 nan 0.000 0.474 417 K N 0.333 120.735 120.400 0.004 0.000 2.280 417 K HA -0.093 4.232 4.320 0.009 0.000 0.202 417 K C 1.829 178.405 176.600 -0.040 0.000 1.047 417 K CA 2.030 58.292 56.287 -0.042 0.000 0.942 417 K CB -0.009 32.461 32.500 -0.051 0.000 0.739 417 K HN 0.552 nan 8.250 nan 0.000 0.457 418 T N -2.019 112.536 114.554 0.003 0.000 3.107 418 T HA 0.212 4.567 4.350 0.009 0.000 0.249 418 T C 1.080 175.790 174.700 0.017 0.000 1.096 418 T CA -0.172 61.922 62.100 -0.010 0.000 1.012 418 T CB -0.016 68.848 68.868 -0.006 0.000 0.977 418 T HN -0.099 nan 8.240 nan 0.000 0.527 419 L N 0.391 121.627 121.223 0.021 0.000 2.341 419 L HA 0.550 4.896 4.340 0.009 0.000 0.267 419 L C 1.725 178.596 176.870 0.001 0.000 1.022 419 L CA -1.231 53.622 54.840 0.021 0.000 0.844 419 L CB 1.330 43.413 42.059 0.039 0.000 1.436 419 L HN -0.053 nan 8.230 nan 0.000 0.483 420 V N -2.631 117.286 119.914 0.006 0.000 3.461 420 V HA 0.013 4.138 4.120 0.009 0.000 0.267 420 V C 0.638 176.733 176.094 0.001 0.000 1.186 420 V CA 0.944 63.243 62.300 -0.002 0.000 1.154 420 V CB -1.331 30.494 31.823 0.002 0.000 0.802 420 V HN 0.945 nan 8.190 nan 0.000 0.474 421 N N 0.975 119.681 118.700 0.010 0.000 2.735 421 N HA 0.388 5.134 4.740 0.009 0.000 0.312 421 N C -2.899 172.653 175.510 0.070 0.000 1.843 421 N CA -1.461 51.606 53.050 0.028 0.000 0.945 421 N CB 0.869 39.366 38.487 0.016 0.000 1.299 421 N HN 0.329 nan 8.380 nan 0.000 0.489 422 P HA 0.111 nan 4.420 nan 0.000 0.272 422 P C -0.842 176.596 177.300 0.229 0.000 1.230 422 P CA 0.007 63.141 63.100 0.056 0.000 0.788 422 P CB 0.486 32.159 31.700 -0.044 0.000 0.949 423 F N -1.830 118.199 119.950 0.131 0.000 2.619 423 F HA 0.531 5.063 4.527 0.008 0.000 0.308 423 F C -0.469 175.377 175.800 0.076 0.000 1.097 423 F CA -1.648 56.430 58.000 0.130 0.000 0.953 423 F CB 1.191 40.188 39.000 -0.004 0.000 1.287 423 F HN -0.042 nan 8.300 nan 0.000 0.446 424 K N 2.526 122.925 120.400 -0.002 0.000 2.472 424 K HA 0.325 4.651 4.320 0.009 0.000 0.280 424 K C -0.092 176.379 176.600 -0.216 0.000 1.028 424 K CA 0.347 56.336 56.287 -0.497 0.000 1.045 424 K CB 0.932 33.235 32.500 -0.329 0.000 0.902 424 K HN 0.939 nan 8.250 nan 0.000 0.478 425 A N 6.228 128.807 122.820 -0.403 0.000 2.444 425 A HA 0.330 4.655 4.320 0.009 0.000 0.273 425 A C -0.162 177.399 177.584 -0.038 0.000 1.136 425 A CA -0.025 51.910 52.037 -0.170 0.000 0.799 425 A CB -0.084 18.638 19.000 -0.462 0.000 1.081 425 A HN 0.674 nan 8.150 nan 0.000 0.509 426 L N 2.072 123.368 121.223 0.121 0.000 2.409 426 L HA 0.701 5.046 4.340 0.009 0.000 0.255 426 L C 1.124 178.067 176.870 0.121 0.000 1.027 426 L CA -0.261 54.625 54.840 0.077 0.000 0.834 426 L CB 1.885 43.974 42.059 0.051 0.000 1.426 426 L HN 1.115 nan 8.230 nan 0.000 0.411 427 G N 0.857 109.706 108.800 0.080 0.000 2.614 427 G HA2 -0.318 3.648 3.960 0.009 0.000 0.303 427 G HA3 -0.318 3.648 3.960 0.009 0.000 0.303 427 G C 0.877 175.856 174.900 0.133 0.000 1.270 427 G CA 0.540 45.700 45.100 0.099 0.000 0.988 427 G HN 1.086 nan 8.290 nan 0.000 0.551 428 G N -0.239 108.653 108.800 0.154 0.000 2.469 428 G HA2 -0.241 3.724 3.960 0.009 0.000 0.220 428 G HA3 -0.241 3.724 3.960 0.009 0.000 0.220 428 G C 1.572 176.612 174.900 0.233 0.000 1.136 428 G CA 1.692 46.898 45.100 0.177 0.000 0.759 428 G HN 0.822 nan 8.290 nan 0.000 0.562 429 N N -0.380 118.495 118.700 0.292 0.000 2.120 429 N HA -0.094 4.652 4.740 0.009 0.000 0.188 429 N C 2.009 177.788 175.510 0.448 0.000 1.024 429 N CA 0.797 54.113 53.050 0.444 0.000 0.852 429 N CB -0.146 38.701 38.487 0.600 0.000 1.003 429 N HN 0.218 nan 8.380 nan 0.000 0.424 430 L N 0.889 122.274 121.223 0.270 0.000 2.083 430 L HA -0.068 4.277 4.340 0.009 0.000 0.209 430 L C 1.847 178.792 176.870 0.125 0.000 1.083 430 L CA 1.278 56.199 54.840 0.136 0.000 0.752 430 L CB -0.458 41.631 42.059 0.049 0.000 0.899 430 L HN -0.005 nan 8.230 nan 0.000 0.433 431 V N -0.330 119.670 119.914 0.143 0.000 2.343 431 V HA -0.276 3.849 4.120 0.009 0.000 0.247 431 V C 2.320 178.505 176.094 0.150 0.000 1.051 431 V CA 1.928 64.307 62.300 0.131 0.000 1.036 431 V CB -0.717 31.188 31.823 0.137 0.000 0.654 431 V HN 0.424 nan 8.190 nan 0.000 0.451 432 D N -0.592 119.929 120.400 0.201 0.000 2.117 432 D HA -0.190 4.455 4.640 0.009 0.000 0.197 432 D C 2.042 178.467 176.300 0.207 0.000 0.987 432 D CA 1.499 55.619 54.000 0.201 0.000 0.829 432 D CB -0.212 40.721 40.800 0.222 0.000 0.961 432 D HN 0.370 nan 8.370 nan 0.000 0.460 433 M N 0.638 120.407 119.600 0.281 0.000 2.108 433 M HA -0.072 4.413 4.480 0.009 0.000 0.261 433 M C 1.952 178.277 176.300 0.041 0.000 1.066 433 M CA 2.044 57.436 55.300 0.154 0.000 1.107 433 M CB -0.763 31.791 32.600 -0.076 0.000 1.356 433 M HN -0.012 nan 8.290 nan 0.000 0.406 434 G N -0.704 108.117 108.800 0.036 0.000 2.408 434 G HA2 -0.210 3.755 3.960 0.009 0.000 0.217 434 G HA3 -0.210 3.755 3.960 0.009 0.000 0.217 434 G C 1.787 176.661 174.900 -0.044 0.000 1.150 434 G CA 0.803 45.902 45.100 -0.003 0.000 0.776 434 G HN 0.490 nan 8.290 nan 0.000 0.542 435 R N -0.441 120.055 120.500 -0.006 0.000 2.081 435 R HA -0.036 4.309 4.340 0.009 0.000 0.235 435 R C 2.698 178.940 176.300 -0.097 0.000 1.131 435 R CA 1.351 57.420 56.100 -0.052 0.000 0.960 435 R CB -0.328 30.034 30.300 0.104 0.000 0.856 435 R HN 0.307 nan 8.270 nan 0.000 0.436 436 V N 1.237 121.138 119.914 -0.023 0.000 2.255 436 V HA -0.229 3.897 4.120 0.009 0.000 0.243 436 V C 2.177 178.239 176.094 -0.054 0.000 1.038 436 V CA 1.644 63.929 62.300 -0.026 0.000 1.008 436 V CB -0.302 31.536 31.823 0.025 0.000 0.645 436 V HN 0.261 nan 8.190 nan 0.000 0.449 437 K N -0.129 120.246 120.400 -0.042 0.000 2.148 437 K HA -0.020 4.305 4.320 0.009 0.000 0.204 437 K C 2.060 178.615 176.600 -0.075 0.000 1.050 437 K CA 1.101 57.358 56.287 -0.050 0.000 0.942 437 K CB -0.489 31.983 32.500 -0.046 0.000 0.724 437 K HN 0.326 nan 8.250 nan 0.000 0.446 438 I N 1.585 122.090 120.570 -0.110 0.000 2.179 438 I HA -0.229 3.946 4.170 0.009 0.000 0.242 438 I C 2.256 178.278 176.117 -0.159 0.000 1.088 438 I CA 1.060 62.288 61.300 -0.121 0.000 1.357 438 I CB -0.811 37.089 38.000 -0.168 0.000 1.051 438 I HN -0.009 nan 8.210 nan 0.000 0.409 439 I N 0.590 120.999 120.570 -0.269 0.000 2.315 439 I HA -0.228 3.947 4.170 0.009 0.000 0.248 439 I C 2.522 178.567 176.117 -0.120 0.000 1.117 439 I CA 1.171 62.310 61.300 -0.268 0.000 1.404 439 I CB -1.357 36.417 38.000 -0.376 0.000 1.071 439 I HN 0.382 nan 8.210 nan 0.000 0.419 440 E N 1.217 121.362 120.200 -0.092 0.000 2.077 440 E HA -0.181 4.174 4.350 0.009 0.000 0.193 440 E C 2.323 178.886 176.600 -0.060 0.000 0.989 440 E CA 1.446 57.813 56.400 -0.055 0.000 0.800 440 E CB -0.184 29.498 29.700 -0.031 0.000 0.746 440 E HN 0.464 nan 8.360 nan 0.000 0.452 441 G N 1.334 110.102 108.800 -0.052 0.000 2.422 441 G HA2 -0.220 3.745 3.960 0.009 0.000 0.218 441 G HA3 -0.220 3.745 3.960 0.009 0.000 0.218 441 G C 1.653 176.520 174.900 -0.055 0.000 1.146 441 G CA 0.594 45.668 45.100 -0.043 0.000 0.769 441 G HN 0.196 nan 8.290 nan 0.000 0.547 442 L N -0.224 121.006 121.223 0.012 0.000 2.056 442 L HA 0.031 4.376 4.340 0.009 0.000 0.207 442 L C 2.877 179.717 176.870 -0.049 0.000 1.078 442 L CA 0.487 55.390 54.840 0.105 0.000 0.749 442 L CB -0.386 41.746 42.059 0.122 0.000 0.901 442 L HN 0.175 nan 8.230 nan 0.000 0.433 443 L N -0.458 120.729 121.223 -0.061 0.000 2.083 443 L HA -0.165 4.180 4.340 0.009 0.000 0.209 443 L C 2.281 179.068 176.870 -0.139 0.000 1.083 443 L CA 1.261 56.059 54.840 -0.069 0.000 0.752 443 L CB -0.296 41.735 42.059 -0.047 0.000 0.899 443 L HN 0.203 nan 8.230 nan 0.000 0.433 444 R N -0.007 120.386 120.500 -0.179 0.000 2.334 444 R HA 0.075 4.420 4.340 0.009 0.000 0.220 444 R C 0.011 176.089 176.300 -0.370 0.000 0.917 444 R CA -0.132 55.843 56.100 -0.208 0.000 1.073 444 R CB 0.114 30.329 30.300 -0.141 0.000 1.056 444 R HN 0.120 nan 8.270 nan 0.000 0.506 445 K N 1.520 121.511 120.400 -0.682 0.000 3.071 445 K HA -0.190 4.136 4.320 0.009 0.000 0.262 445 K C -0.640 175.423 176.600 -0.894 0.000 0.977 445 K CA 0.860 56.226 56.287 -1.535 0.000 0.721 445 K CB -1.038 30.879 32.500 -0.971 0.000 1.293 445 K HN 0.192 nan 8.250 nan 0.000 0.475 446 D N 0.595 120.720 120.400 -0.459 0.000 2.464 446 D HA 0.167 4.812 4.640 0.009 0.000 0.243 446 D C 0.504 176.837 176.300 0.054 0.000 1.104 446 D CA -0.408 53.513 54.000 -0.132 0.000 0.883 446 D CB 0.354 41.092 40.800 -0.103 0.000 1.050 446 D HN 0.177 nan 8.370 nan 0.000 0.524 447 N N 1.282 120.106 118.700 0.208 0.000 2.453 447 N HA -0.141 4.604 4.740 0.009 0.000 0.183 447 N C 1.592 177.162 175.510 0.099 0.000 1.041 447 N CA 1.039 54.252 53.050 0.272 0.000 0.900 447 N CB 0.494 39.184 38.487 0.339 0.000 0.961 447 N HN 0.470 nan 8.380 nan 0.000 0.443 448 T N -1.505 113.071 114.554 0.036 0.000 2.985 448 T HA 0.034 4.389 4.350 0.009 0.000 0.266 448 T C 1.857 176.514 174.700 -0.072 0.000 1.076 448 T CA 0.435 62.514 62.100 -0.035 0.000 1.135 448 T CB -0.172 68.681 68.868 -0.025 0.000 0.890 448 T HN 0.102 nan 8.240 nan 0.000 0.480 449 I N 0.509 121.053 120.570 -0.043 0.000 2.233 449 I HA 0.025 4.200 4.170 0.009 0.000 0.243 449 I C 2.490 178.569 176.117 -0.063 0.000 1.093 449 I CA 1.051 62.320 61.300 -0.052 0.000 1.380 449 I CB -0.236 37.740 38.000 -0.039 0.000 1.067 449 I HN 0.209 nan 8.210 nan 0.000 0.413 450 I N 0.679 121.232 120.570 -0.028 0.000 2.179 450 I HA -0.323 3.852 4.170 0.009 0.000 0.242 450 I C 2.608 178.610 176.117 -0.192 0.000 1.088 450 I CA 1.606 62.896 61.300 -0.017 0.000 1.357 450 I CB -0.391 37.689 38.000 0.134 0.000 1.051 450 I HN 0.311 nan 8.210 nan 0.000 0.409 451 E N 1.527 121.458 120.200 -0.449 0.000 2.031 451 E HA -0.273 4.082 4.350 0.009 0.000 0.193 451 E C 2.167 178.520 176.600 -0.411 0.000 0.994 451 E CA 1.535 57.359 56.400 -0.959 0.000 0.800 451 E CB 0.073 29.197 29.700 -0.960 0.000 0.752 451 E HN 0.331 nan 8.360 nan 0.000 0.447 452 K N -0.382 119.878 120.400 -0.232 0.000 2.097 452 K HA -0.088 4.237 4.320 0.009 0.000 0.206 452 K C 2.206 178.778 176.600 -0.045 0.000 1.049 452 K CA 1.827 58.044 56.287 -0.116 0.000 0.933 452 K CB -0.092 32.349 32.500 -0.099 0.000 0.717 452 K HN 0.129 nan 8.250 nan 0.000 0.442 453 T N 0.362 114.874 114.554 -0.069 0.000 2.746 453 T HA -0.110 4.245 4.350 0.009 0.000 0.267 453 T C 1.996 176.692 174.700 -0.008 0.000 1.039 453 T CA 1.549 63.624 62.100 -0.041 0.000 1.142 453 T CB -0.206 68.635 68.868 -0.046 0.000 0.866 453 T HN 0.136 nan 8.240 nan 0.000 0.444 454 S N 0.530 116.225 115.700 -0.009 0.000 2.359 454 S HA -0.185 4.291 4.470 0.009 0.000 0.224 454 S C 1.842 176.488 174.600 0.077 0.000 1.035 454 S CA 1.647 59.881 58.200 0.056 0.000 1.018 454 S CB -0.534 62.723 63.200 0.095 0.000 0.876 454 S HN 0.713 nan 8.310 nan 0.000 0.448 455 H N 1.246 120.299 119.070 -0.028 0.000 2.319 455 H HA -0.088 4.473 4.556 0.009 0.000 0.297 455 H C 2.390 177.721 175.328 0.005 0.000 1.097 455 H CA 2.010 58.057 56.048 -0.003 0.000 1.285 455 H CB -0.495 29.244 29.762 -0.038 0.000 1.368 455 H HN 0.314 nan 8.280 nan 0.000 0.495 456 S N -0.733 114.988 115.700 0.036 0.000 2.368 456 S HA -0.111 4.365 4.470 0.009 0.000 0.225 456 S C 2.096 176.652 174.600 -0.074 0.000 1.030 456 S CA 1.084 59.259 58.200 -0.042 0.000 0.999 456 S CB -0.443 62.732 63.200 -0.042 0.000 0.844 456 S HN 0.366 nan 8.310 nan 0.000 0.459 457 L N 1.777 122.984 121.223 -0.026 0.000 2.187 457 L HA 0.019 4.365 4.340 0.009 0.000 0.213 457 L C 2.175 179.039 176.870 -0.010 0.000 1.100 457 L CA 1.603 56.438 54.840 -0.009 0.000 0.765 457 L CB -0.986 41.106 42.059 0.056 0.000 0.904 457 L HN 0.206 nan 8.230 nan 0.000 0.437 458 K N -0.398 120.025 120.400 0.038 0.000 2.280 458 K HA -0.073 4.252 4.320 0.009 0.000 0.202 458 K C 1.574 178.212 176.600 0.063 0.000 1.047 458 K CA 0.467 56.850 56.287 0.161 0.000 0.942 458 K CB -0.571 31.952 32.500 0.038 0.000 0.739 458 K HN 0.365 nan 8.250 nan 0.000 0.457 459 N N 0.772 119.437 118.700 -0.059 0.000 2.573 459 N HA -0.058 4.687 4.740 0.009 0.000 0.187 459 N C 1.497 176.976 175.510 -0.051 0.000 1.107 459 N CA 0.409 53.429 53.050 -0.050 0.000 0.918 459 N CB -0.018 38.423 38.487 -0.076 0.000 0.966 459 N HN 0.213 nan 8.380 nan 0.000 0.448 460 L N -0.706 120.404 121.223 -0.189 0.000 2.240 460 L HA 0.040 4.386 4.340 0.009 0.000 0.211 460 L C -0.040 176.758 176.870 -0.119 0.000 1.106 460 L CA 0.464 55.160 54.840 -0.239 0.000 0.793 460 L CB -0.108 41.654 42.059 -0.494 0.000 0.927 460 L HN -0.026 nan 8.230 nan 0.000 0.446 461 F N -0.041 120.070 119.950 0.269 0.000 2.541 461 F HA 0.312 4.844 4.527 0.008 0.000 0.351 461 F C 0.547 176.463 175.800 0.193 0.000 1.209 461 F CA -0.195 57.949 58.000 0.238 0.000 1.277 461 F CB -0.036 39.000 39.000 0.061 0.000 1.632 461 F HN -0.244 nan 8.300 nan 0.000 0.619 462 T N -0.013 114.765 114.554 0.373 0.000 2.821 462 T HA 0.516 4.871 4.350 0.009 0.000 0.306 462 T C -0.705 174.159 174.700 0.272 0.000 1.313 462 T CA -0.501 61.746 62.100 0.246 0.000 1.012 462 T CB 1.559 70.513 68.868 0.144 0.000 1.298 462 T HN 0.113 nan 8.240 nan 0.000 0.502 463 T N 2.787 117.441 114.554 0.168 0.000 2.756 463 T HA 0.699 5.054 4.350 0.009 0.000 0.290 463 T C 0.201 174.871 174.700 -0.049 0.000 0.985 463 T CA -0.371 61.804 62.100 0.126 0.000 0.955 463 T CB 0.891 69.833 68.868 0.124 0.000 0.930 463 T HN 0.907 nan 8.240 nan 0.000 0.451 464 A N 2.612 125.301 122.820 -0.219 0.000 2.371 464 A HA 0.548 4.873 4.320 0.009 0.000 0.257 464 A C 1.314 178.414 177.584 -0.806 0.000 1.089 464 A CA -0.310 51.429 52.037 -0.497 0.000 0.794 464 A CB 0.156 18.777 19.000 -0.631 0.000 1.029 464 A HN 0.917 nan 8.150 nan 0.000 0.488 465 T N -2.124 112.146 114.554 -0.475 0.000 3.058 465 T HA 0.397 4.753 4.350 0.009 0.000 0.278 465 T C 0.027 174.743 174.700 0.028 0.000 0.974 465 T CA 0.117 62.096 62.100 -0.201 0.000 0.893 465 T CB -0.246 68.597 68.868 -0.041 0.000 1.138 465 T HN 0.740 nan 8.240 nan 0.000 0.529 466 K N 0.665 121.045 120.400 -0.033 0.000 2.569 466 K HA 0.577 4.902 4.320 0.009 0.000 0.259 466 K C -0.263 176.385 176.600 0.080 0.000 0.932 466 K CA 0.187 56.541 56.287 0.112 0.000 0.833 466 K CB 1.438 33.971 32.500 0.056 0.000 1.340 466 K HN 0.475 nan 8.250 nan 0.000 0.429 467 A N 1.695 124.589 122.820 0.124 0.000 5.818 467 A HA -0.213 4.113 4.320 0.009 0.000 0.265 467 A C -0.845 176.758 177.584 0.032 0.000 2.155 467 A CA 0.901 52.965 52.037 0.046 0.000 0.711 467 A CB -1.575 17.423 19.000 -0.003 0.000 1.085 467 A HN 0.752 nan 8.150 nan 0.000 0.357 468 E N 0.332 120.487 120.200 -0.074 0.000 2.390 468 E HA 0.506 4.861 4.350 0.009 0.000 0.261 468 E C 0.583 177.039 176.600 -0.241 0.000 1.076 468 E CA 1.126 57.404 56.400 -0.204 0.000 0.905 468 E CB 0.641 30.215 29.700 -0.210 0.000 0.984 468 E HN 2.326 nan 8.360 nan 0.000 0.427 469 G N 0.354 108.858 108.800 -0.493 0.000 2.343 469 G HA2 -0.026 3.940 3.960 0.009 0.000 0.465 469 G HA3 -0.026 3.940 3.960 0.009 0.000 0.465 469 G C -1.454 173.236 174.900 -0.350 0.000 1.282 469 G CA -1.206 43.675 45.100 -0.366 0.000 0.996 469 G HN 0.251 nan 8.290 nan 0.000 0.521 470 F N 0.626 120.591 119.950 0.025 0.000 2.411 470 F HA 0.672 5.205 4.527 0.010 0.000 0.350 470 F C 0.516 176.384 175.800 0.113 0.000 1.114 470 F CA -0.262 57.815 58.000 0.128 0.000 1.135 470 F CB 0.995 39.971 39.000 -0.040 0.000 1.120 470 F HN 0.425 nan 8.300 nan 0.000 0.495 471 Y N 0.925 121.363 120.300 0.229 0.000 2.392 471 Y HA 0.458 5.013 4.550 0.008 0.000 0.323 471 Y C 1.326 177.359 175.900 0.220 0.000 1.291 471 Y CA -0.464 57.743 58.100 0.179 0.000 1.345 471 Y CB 0.771 39.298 38.460 0.112 0.000 1.320 471 Y HN 0.650 nan 8.280 nan 0.000 0.518 472 A N 0.452 123.454 122.820 0.304 0.000 1.917 472 A HA -0.245 4.080 4.320 0.009 0.000 0.219 472 A C 1.498 179.223 177.584 0.235 0.000 1.182 472 A CA 2.185 54.360 52.037 0.230 0.000 0.633 472 A CB -0.988 18.116 19.000 0.173 0.000 0.819 472 A HN 0.845 nan 8.150 nan 0.000 0.448 473 D N -2.185 118.368 120.400 0.254 0.000 2.352 473 D HA 0.298 4.943 4.640 0.009 0.000 0.232 473 D C 1.111 177.605 176.300 0.324 0.000 1.055 473 D CA 0.977 55.101 54.000 0.207 0.000 0.891 473 D CB -0.615 40.270 40.800 0.142 0.000 0.897 473 D HN 0.856 nan 8.370 nan 0.000 0.529 474 G N -0.775 108.265 108.800 0.400 0.000 2.176 474 G HA2 -0.287 3.679 3.960 0.009 0.000 0.253 474 G HA3 -0.287 3.679 3.960 0.009 0.000 0.253 474 G C 0.438 175.592 174.900 0.424 0.000 0.979 474 G CA 0.203 45.594 45.100 0.485 0.000 0.641 474 G HN 0.439 nan 8.290 nan 0.000 0.530 475 S N -0.385 115.539 115.700 0.374 0.000 2.579 475 S HA 0.493 4.969 4.470 0.009 0.000 0.275 475 S C -0.408 174.243 174.600 0.086 0.000 1.345 475 S CA 0.145 58.378 58.200 0.055 0.000 1.031 475 S CB 1.104 64.283 63.200 -0.036 0.000 0.892 475 S HN 0.716 nan 8.310 nan 0.000 0.529 476 Y N 2.796 122.956 120.300 -0.234 0.000 2.338 476 Y HA 0.542 5.098 4.550 0.010 0.000 0.333 476 Y C -1.070 174.693 175.900 -0.227 0.000 0.968 476 Y CA -0.889 57.024 58.100 -0.312 0.000 1.123 476 Y CB 0.523 38.631 38.460 -0.585 0.000 1.165 476 Y HN 0.419 nan 8.280 nan 0.000 0.452 477 I N 5.632 125.740 120.570 -0.769 0.000 2.562 477 I HA 0.409 4.584 4.170 0.009 0.000 0.301 477 I C -0.660 175.054 176.117 -0.672 0.000 1.003 477 I CA -0.461 60.534 61.300 -0.509 0.000 1.127 477 I CB 1.865 39.711 38.000 -0.257 0.000 1.304 477 I HN 0.682 nan 8.210 nan 0.000 0.446 478 D N 2.754 122.988 120.400 -0.278 0.000 2.583 478 D HA 0.303 4.949 4.640 0.009 0.000 0.248 478 D C -0.507 175.777 176.300 -0.027 0.000 1.209 478 D CA -0.184 53.668 54.000 -0.246 0.000 0.848 478 D CB 1.666 42.266 40.800 -0.334 0.000 1.431 478 D HN 0.657 nan 8.370 nan 0.000 0.436 479 H N 1.066 119.992 119.070 -0.239 0.000 2.819 479 H HA -0.216 4.346 4.556 0.009 0.000 0.323 479 H C 0.475 175.746 175.328 -0.095 0.000 1.243 479 H CA 0.534 56.486 56.048 -0.160 0.000 1.163 479 H CB -1.058 28.668 29.762 -0.059 0.000 1.493 479 H HN 0.598 nan 8.280 nan 0.000 0.434 480 T N -1.257 113.293 114.554 -0.007 0.000 12.724 480 T HA -0.351 4.004 4.350 0.009 0.000 0.418 480 T C 0.852 175.541 174.700 -0.018 0.000 1.446 480 T CA 2.126 64.212 62.100 -0.023 0.000 2.382 480 T CB -0.967 67.884 68.868 -0.029 0.000 2.829 480 T HN 0.740 nan 8.240 nan 0.000 0.744 481 N N 0.559 119.254 118.700 -0.009 0.000 2.577 481 N HA 0.438 5.184 4.740 0.009 0.000 0.285 481 N C -1.163 174.323 175.510 -0.040 0.000 1.658 481 N CA -0.282 52.750 53.050 -0.030 0.000 0.865 481 N CB 0.131 38.610 38.487 -0.014 0.000 1.419 481 N HN 0.501 nan 8.380 nan 0.000 0.495 482 V N 0.459 120.358 119.914 -0.025 0.000 2.459 482 V HA 0.798 4.923 4.120 0.009 0.000 0.295 482 V C 0.470 176.482 176.094 -0.137 0.000 1.029 482 V CA -1.247 61.006 62.300 -0.079 0.000 0.874 482 V CB 1.398 33.201 31.823 -0.033 0.000 0.985 482 V HN 0.458 nan 8.190 nan 0.000 0.438 483 A N 3.988 126.683 122.820 -0.209 0.000 2.505 483 A HA 0.370 4.695 4.320 0.009 0.000 0.271 483 A C -0.357 177.087 177.584 -0.233 0.000 1.112 483 A CA 0.499 52.413 52.037 -0.205 0.000 0.781 483 A CB -0.522 18.360 19.000 -0.197 0.000 1.059 483 A HN 0.815 nan 8.150 nan 0.000 0.508 484 Y N 1.936 122.203 120.300 -0.054 0.000 2.742 484 Y HA 0.120 4.675 4.550 0.008 0.000 0.248 484 Y C 1.814 177.796 175.900 0.137 0.000 1.132 484 Y CA 0.013 58.149 58.100 0.060 0.000 1.142 484 Y CB 0.021 38.568 38.460 0.146 0.000 1.222 484 Y HN 0.731 nan 8.280 nan 0.000 0.575 485 T N -1.882 112.755 114.554 0.138 0.000 2.720 485 T HA -0.179 4.177 4.350 0.009 0.000 0.268 485 T C 2.167 176.819 174.700 -0.079 0.000 1.037 485 T CA 1.743 63.754 62.100 -0.148 0.000 1.144 485 T CB -0.322 68.292 68.868 -0.423 0.000 0.864 485 T HN 0.564 nan 8.240 nan 0.000 0.444 486 G N -0.088 108.700 108.800 -0.020 0.000 2.848 486 G HA2 0.350 4.316 3.960 0.009 0.000 0.208 486 G HA3 0.350 4.316 3.960 0.009 0.000 0.208 486 G C 1.075 175.986 174.900 0.019 0.000 1.152 486 G CA 0.714 45.822 45.100 0.014 0.000 0.789 486 G HN 0.626 nan 8.290 nan 0.000 0.531 487 A N -0.425 122.423 122.820 0.047 0.000 1.922 487 A HA 0.453 4.778 4.320 0.009 0.000 0.192 487 A C 1.724 179.137 177.584 -0.285 0.000 2.007 487 A CA 0.124 52.082 52.037 -0.133 0.000 1.054 487 A CB -0.348 18.578 19.000 -0.123 0.000 1.106 487 A HN 0.082 nan 8.150 nan 0.000 0.639 488 Y N 1.299 121.472 120.300 -0.211 0.000 2.314 488 Y HA 0.025 4.580 4.550 0.009 0.000 0.293 488 Y C 2.680 178.459 175.900 -0.202 0.000 1.129 488 Y CA 1.120 59.082 58.100 -0.230 0.000 1.201 488 Y CB -0.598 37.669 38.460 -0.322 0.000 0.999 488 Y HN 0.384 nan 8.280 nan 0.000 0.541 489 G N -0.207 108.475 108.800 -0.197 0.000 2.402 489 G HA2 -0.277 3.688 3.960 0.009 0.000 0.216 489 G HA3 -0.277 3.688 3.960 0.009 0.000 0.216 489 G C 1.564 176.491 174.900 0.046 0.000 1.162 489 G CA 1.097 45.872 45.100 -0.541 0.000 0.777 489 G HN 0.296 nan 8.290 nan 0.000 0.539 490 N N 0.368 119.127 118.700 0.097 0.000 2.036 490 N HA -0.131 4.615 4.740 0.009 0.000 0.195 490 N C 2.300 177.769 175.510 -0.068 0.000 1.037 490 N CA 1.325 54.378 53.050 0.005 0.000 0.855 490 N CB -0.695 37.762 38.487 -0.049 0.000 1.033 490 N HN 0.156 nan 8.380 nan 0.000 0.423 491 V N 1.267 121.141 119.914 -0.067 0.000 2.287 491 V HA -0.207 3.918 4.120 0.009 0.000 0.248 491 V C 2.321 178.423 176.094 0.013 0.000 1.053 491 V CA 1.326 63.603 62.300 -0.038 0.000 1.027 491 V CB -0.610 31.192 31.823 -0.035 0.000 0.646 491 V HN 0.326 nan 8.190 nan 0.000 0.447 492 L N -0.575 120.662 121.223 0.024 0.000 1.970 492 L HA -0.231 4.114 4.340 0.009 0.000 0.212 492 L C 2.342 179.262 176.870 0.082 0.000 1.071 492 L CA 2.244 57.120 54.840 0.059 0.000 0.751 492 L CB -0.253 41.814 42.059 0.013 0.000 0.889 492 L HN 0.275 nan 8.230 nan 0.000 0.432 493 I N -0.263 120.350 120.570 0.071 0.000 2.394 493 I HA -0.311 3.864 4.170 0.009 0.000 0.251 493 I C 1.943 178.080 176.117 0.033 0.000 1.136 493 I CA 1.704 63.052 61.300 0.079 0.000 1.425 493 I CB -0.098 37.881 38.000 -0.035 0.000 1.079 493 I HN 0.430 nan 8.210 nan 0.000 0.425 494 D N 0.132 120.513 120.400 -0.032 0.000 2.097 494 D HA -0.143 4.502 4.640 0.009 0.000 0.197 494 D C 2.181 178.500 176.300 0.030 0.000 0.984 494 D CA 1.596 55.571 54.000 -0.042 0.000 0.826 494 D CB -0.405 40.345 40.800 -0.083 0.000 0.973 494 D HN 0.366 nan 8.370 nan 0.000 0.460 495 G N 0.070 108.908 108.800 0.063 0.000 2.422 495 G HA2 -0.189 3.776 3.960 0.009 0.000 0.218 495 G HA3 -0.189 3.776 3.960 0.009 0.000 0.218 495 G C 1.509 176.499 174.900 0.150 0.000 1.140 495 G CA 0.765 45.935 45.100 0.116 0.000 0.775 495 G HN 0.331 nan 8.290 nan 0.000 0.545 496 L N 1.830 123.138 121.223 0.142 0.000 2.056 496 L HA -0.003 4.342 4.340 0.009 0.000 0.207 496 L C 3.044 180.013 176.870 0.165 0.000 1.078 496 L CA 2.691 57.633 54.840 0.168 0.000 0.749 496 L CB -1.060 41.121 42.059 0.204 0.000 0.901 496 L HN 0.322 nan 8.230 nan 0.000 0.433 497 T N -3.448 111.186 114.554 0.133 0.000 2.962 497 T HA -0.223 4.133 4.350 0.009 0.000 0.270 497 T C 1.804 176.577 174.700 0.122 0.000 1.088 497 T CA 1.450 63.616 62.100 0.110 0.000 1.127 497 T CB -0.382 68.537 68.868 0.086 0.000 0.883 497 T HN 0.514 nan 8.240 nan 0.000 0.493 498 Q N -0.350 119.535 119.800 0.142 0.000 2.187 498 Q HA 0.154 4.500 4.340 0.009 0.000 0.199 498 Q C 2.011 178.213 176.000 0.336 0.000 0.957 498 Q CA 0.560 56.465 55.803 0.170 0.000 0.857 498 Q CB -0.118 28.700 28.738 0.132 0.000 0.929 498 Q HN 0.413 nan 8.270 nan 0.000 0.453 499 L N 0.010 121.432 121.223 0.331 0.000 2.270 499 L HA 0.027 4.373 4.340 0.009 0.000 0.210 499 L C 1.726 178.721 176.870 0.208 0.000 1.104 499 L CA 1.092 56.117 54.840 0.309 0.000 0.804 499 L CB -0.243 41.930 42.059 0.190 0.000 0.937 499 L HN 0.285 nan 8.230 nan 0.000 0.450 500 L N 0.023 121.354 121.223 0.181 0.000 2.012 500 L HA -0.195 4.151 4.340 0.009 0.000 0.210 500 L C -0.260 176.686 176.870 0.128 0.000 1.073 500 L CA 1.451 56.377 54.840 0.145 0.000 0.748 500 L CB -1.721 40.413 42.059 0.126 0.000 0.891 500 L HN 0.233 nan 8.230 nan 0.000 0.431 501 P HA -0.175 nan 4.420 nan 0.000 0.218 501 P C 1.458 178.832 177.300 0.123 0.000 1.146 501 P CA 1.366 64.540 63.100 0.123 0.000 0.813 501 P CB 0.099 31.879 31.700 0.132 0.000 0.778 502 I N -1.668 118.994 120.570 0.153 0.000 2.339 502 I HA -0.078 4.097 4.170 0.009 0.000 0.245 502 I C 2.249 178.412 176.117 0.077 0.000 1.096 502 I CA 0.851 62.224 61.300 0.121 0.000 1.408 502 I CB -0.806 37.272 38.000 0.129 0.000 1.092 502 I HN -0.169 nan 8.210 nan 0.000 0.423 503 I N 0.209 120.829 120.570 0.083 0.000 2.264 503 I HA -0.307 3.868 4.170 0.009 0.000 0.248 503 I C 2.156 178.315 176.117 0.070 0.000 1.111 503 I CA 1.076 62.426 61.300 0.083 0.000 1.382 503 I CB -0.340 37.724 38.000 0.106 0.000 1.060 503 I HN 0.285 nan 8.210 nan 0.000 0.418 504 Q N 0.336 120.173 119.800 0.062 0.000 2.364 504 Q HA -0.126 4.219 4.340 0.009 0.000 0.207 504 Q C 1.608 177.618 176.000 0.016 0.000 0.970 504 Q CA 0.969 56.794 55.803 0.036 0.000 0.888 504 Q CB -0.181 28.580 28.738 0.039 0.000 0.951 504 Q HN 0.513 nan 8.270 nan 0.000 0.469 505 E N 0.384 120.596 120.200 0.021 0.000 2.474 505 E HA 0.023 4.378 4.350 0.009 0.000 0.195 505 E C 0.815 177.398 176.600 -0.028 0.000 1.039 505 E CA 0.161 56.560 56.400 -0.002 0.000 0.881 505 E CB 0.415 30.122 29.700 0.012 0.000 0.970 505 E HN 0.393 nan 8.360 nan 0.000 0.486 506 T N -1.752 112.794 114.554 -0.014 0.000 2.849 506 T HA 0.177 4.532 4.350 0.009 0.000 0.276 506 T C 0.810 175.428 174.700 -0.136 0.000 0.971 506 T CA -0.624 61.455 62.100 -0.035 0.000 0.949 506 T CB 1.302 70.218 68.868 0.079 0.000 1.093 506 T HN -0.272 nan 8.240 nan 0.000 0.545 507 D N -0.378 119.839 120.400 -0.306 0.000 2.363 507 D HA 0.020 4.665 4.640 0.009 0.000 0.226 507 D C -0.246 175.530 176.300 -0.873 0.000 1.020 507 D CA 0.959 54.582 54.000 -0.630 0.000 0.892 507 D CB -0.024 40.259 40.800 -0.862 0.000 0.900 507 D HN 0.628 nan 8.370 nan 0.000 0.531 508 Y N 1.092 121.397 120.300 0.009 0.000 2.578 508 Y HA 0.144 4.699 4.550 0.009 0.000 0.317 508 Y C 0.684 176.600 175.900 0.026 0.000 0.940 508 Y CA -0.992 57.122 58.100 0.024 0.000 1.174 508 Y CB 0.051 38.536 38.460 0.041 0.000 1.198 508 Y HN -0.218 nan 8.280 nan 0.000 0.597 509 K N 1.187 121.621 120.400 0.058 0.000 2.230 509 K HA 0.285 4.610 4.320 0.009 0.000 0.253 509 K C 0.346 176.969 176.600 0.038 0.000 1.008 509 K CA -0.504 55.812 56.287 0.048 0.000 0.910 509 K CB 1.289 33.791 32.500 0.003 0.000 0.994 509 K HN 0.532 nan 8.250 nan 0.000 0.495 510 I N -1.013 119.564 120.570 0.011 0.000 2.575 510 I HA 0.072 4.247 4.170 0.009 0.000 0.285 510 I C 0.390 176.428 176.117 -0.132 0.000 1.085 510 I CA -0.646 60.605 61.300 -0.082 0.000 1.403 510 I CB 1.247 39.140 38.000 -0.178 0.000 1.409 510 I HN 0.812 nan 8.210 nan 0.000 0.557 511 S N 3.356 118.955 115.700 -0.168 0.000 2.606 511 S HA 0.145 4.620 4.470 0.009 0.000 0.257 511 S C 0.648 175.146 174.600 -0.171 0.000 1.327 511 S CA -0.001 58.115 58.200 -0.140 0.000 0.984 511 S CB 0.440 63.567 63.200 -0.121 0.000 0.941 511 S HN 0.856 nan 8.310 nan 0.000 0.576 512 N N 1.299 119.923 118.700 -0.126 0.000 2.188 512 N HA -0.147 4.598 4.740 0.009 0.000 0.184 512 N C 2.067 177.487 175.510 -0.150 0.000 1.018 512 N CA 1.144 54.122 53.050 -0.120 0.000 0.858 512 N CB -0.209 38.224 38.487 -0.091 0.000 0.989 512 N HN 0.745 nan 8.380 nan 0.000 0.426 513 Q N 1.059 120.765 119.800 -0.156 0.000 2.297 513 Q HA -0.098 4.248 4.340 0.009 0.000 0.204 513 Q C 0.986 176.834 176.000 -0.252 0.000 0.962 513 Q CA 1.249 56.955 55.803 -0.162 0.000 0.879 513 Q CB -0.142 28.526 28.738 -0.117 0.000 0.947 513 Q HN 0.484 nan 8.270 nan 0.000 0.462 514 E N 0.885 120.853 120.200 -0.385 0.000 2.158 514 E HA 0.058 4.413 4.350 0.009 0.000 0.191 514 E C 2.110 178.305 176.600 -0.674 0.000 0.982 514 E CA 0.289 56.232 56.400 -0.760 0.000 0.823 514 E CB 0.107 29.077 29.700 -1.217 0.000 0.766 514 E HN 0.241 nan 8.360 nan 0.000 0.468 515 L N 1.085 122.070 121.223 -0.396 0.000 2.093 515 L HA -0.186 4.160 4.340 0.009 0.000 0.208 515 L C 1.534 178.350 176.870 -0.090 0.000 1.085 515 L CA 0.958 55.681 54.840 -0.195 0.000 0.755 515 L CB -0.094 41.923 42.059 -0.070 0.000 0.904 515 L HN 0.129 nan 8.230 nan 0.000 0.435 516 D N -0.458 119.860 120.400 -0.137 0.000 2.117 516 D HA -0.265 4.381 4.640 0.009 0.000 0.197 516 D C 2.063 178.251 176.300 -0.186 0.000 0.987 516 D CA 1.277 55.215 54.000 -0.103 0.000 0.829 516 D CB -0.078 40.645 40.800 -0.127 0.000 0.961 516 D HN 0.260 nan 8.370 nan 0.000 0.460 517 M N 0.232 119.630 119.600 -0.338 0.000 2.108 517 M HA -0.173 4.312 4.480 0.009 0.000 0.261 517 M C 1.900 177.562 176.300 -1.062 0.000 1.066 517 M CA 1.084 56.028 55.300 -0.593 0.000 1.107 517 M CB 0.118 32.404 32.600 -0.524 0.000 1.356 517 M HN -0.134 nan 8.290 nan 0.000 0.406 518 V N -0.465 118.960 119.914 -0.816 0.000 2.295 518 V HA -0.304 3.821 4.120 0.009 0.000 0.246 518 V C 1.960 177.790 176.094 -0.440 0.000 1.049 518 V CA 1.925 63.812 62.300 -0.688 0.000 1.024 518 V CB -1.055 30.559 31.823 -0.349 0.000 0.648 518 V HN 0.469 nan 8.190 nan 0.000 0.447 519 Y N 0.414 120.531 120.300 -0.305 0.000 2.274 519 Y HA -0.204 4.350 4.550 0.007 0.000 0.290 519 Y C 2.563 178.358 175.900 -0.175 0.000 1.145 519 Y CA 1.989 59.957 58.100 -0.221 0.000 1.203 519 Y CB -0.253 38.099 38.460 -0.179 0.000 0.984 519 Y HN 0.158 nan 8.280 nan 0.000 0.533 520 K N -0.677 119.678 120.400 -0.075 0.000 2.097 520 K HA -0.196 4.129 4.320 0.009 0.000 0.205 520 K C 1.728 178.380 176.600 0.087 0.000 1.050 520 K CA 1.555 57.827 56.287 -0.025 0.000 0.938 520 K CB -0.322 32.132 32.500 -0.077 0.000 0.718 520 K HN 0.278 nan 8.250 nan 0.000 0.442 521 W N 1.280 122.518 121.300 -0.104 0.000 2.358 521 W HA -0.091 4.574 4.660 0.008 0.000 0.303 521 W C 1.931 178.506 176.519 0.093 0.000 1.208 521 W CA 0.459 57.716 57.345 -0.146 0.000 1.274 521 W CB -0.845 28.367 29.460 -0.413 0.000 1.138 521 W HN 0.063 nan 8.180 nan 0.000 0.515 522 I N 0.599 121.256 120.570 0.144 0.000 2.142 522 I HA -0.349 3.826 4.170 0.009 0.000 0.240 522 I C 2.187 178.334 176.117 0.050 0.000 1.078 522 I CA 1.463 62.689 61.300 -0.123 0.000 1.343 522 I CB -0.649 36.959 38.000 -0.654 0.000 1.046 522 I HN -0.052 nan 8.210 nan 0.000 0.405 523 N N 0.309 119.041 118.700 0.053 0.000 2.135 523 N HA -0.206 4.539 4.740 0.009 0.000 0.186 523 N C 1.829 177.423 175.510 0.139 0.000 1.027 523 N CA 1.229 54.330 53.050 0.085 0.000 0.849 523 N CB -0.299 38.227 38.487 0.065 0.000 1.002 523 N HN 0.457 nan 8.380 nan 0.000 0.425 524 Q N 0.031 119.935 119.800 0.173 0.000 2.163 524 Q HA 0.128 4.473 4.340 0.009 0.000 0.198 524 Q C 1.281 177.477 176.000 0.327 0.000 0.954 524 Q CA 0.770 56.704 55.803 0.218 0.000 0.851 524 Q CB 0.326 29.192 28.738 0.212 0.000 0.928 524 Q HN 0.208 nan 8.270 nan 0.000 0.459 525 S N -0.727 115.136 115.700 0.271 0.000 2.460 525 S HA 0.099 4.574 4.470 0.009 0.000 0.226 525 S C 1.234 175.757 174.600 -0.128 0.000 1.057 525 S CA 0.188 58.441 58.200 0.088 0.000 0.948 525 S CB 0.037 63.240 63.200 0.005 0.000 0.822 525 S HN 0.255 nan 8.310 nan 0.000 0.512 526 F N 1.635 121.702 119.950 0.195 0.000 2.222 526 F HA 0.309 4.841 4.527 0.008 0.000 0.285 526 F C 1.995 177.887 175.800 0.155 0.000 1.068 526 F CA 0.298 58.410 58.000 0.186 0.000 1.265 526 F CB -0.772 38.445 39.000 0.362 0.000 1.087 526 F HN 0.006 nan 8.300 nan 0.000 0.511 527 L N 0.398 121.839 121.223 0.363 0.000 2.051 527 L HA -0.210 4.136 4.340 0.009 0.000 0.214 527 L C -0.624 176.321 176.870 0.124 0.000 1.076 527 L CA 1.591 56.558 54.840 0.211 0.000 0.758 527 L CB -2.014 40.133 42.059 0.147 0.000 0.890 527 L HN 0.107 nan 8.230 nan 0.000 0.433 528 P HA -0.124 nan 4.420 nan 0.000 0.228 528 P C 1.408 178.776 177.300 0.113 0.000 1.151 528 P CA 1.206 64.393 63.100 0.145 0.000 0.770 528 P CB 0.072 31.925 31.700 0.255 0.000 0.786 529 L N -1.923 119.341 121.223 0.069 0.000 2.640 529 L HA 0.218 4.563 4.340 0.009 0.000 0.230 529 L C 0.779 177.575 176.870 -0.123 0.000 1.123 529 L CA -0.092 54.726 54.840 -0.037 0.000 0.900 529 L CB 0.055 42.064 42.059 -0.083 0.000 1.146 529 L HN -0.117 nan 8.230 nan 0.000 0.484 530 I N 1.618 122.131 120.570 -0.096 0.000 2.339 530 I HA 0.272 4.448 4.170 0.009 0.000 0.290 530 I C -0.591 175.380 176.117 -0.244 0.000 0.994 530 I CA -0.739 60.461 61.300 -0.167 0.000 1.191 530 I CB 1.579 39.527 38.000 -0.086 0.000 1.343 530 I HN -0.235 nan 8.210 nan 0.000 0.458 531 V N 2.652 122.355 119.914 -0.352 0.000 2.623 531 V HA 0.467 4.593 4.120 0.009 0.000 0.304 531 V C -0.055 175.867 176.094 -0.286 0.000 1.054 531 V CA -1.160 60.917 62.300 -0.372 0.000 0.882 531 V CB 1.514 33.091 31.823 -0.410 0.000 1.002 531 V HN 0.808 nan 8.190 nan 0.000 0.424 532 K N 3.163 123.443 120.400 -0.200 0.000 3.077 532 K HA -0.231 4.094 4.320 0.009 0.000 0.264 532 K C 1.166 177.753 176.600 -0.021 0.000 1.008 532 K CA 0.794 57.052 56.287 -0.047 0.000 0.740 532 K CB -1.627 30.918 32.500 0.075 0.000 1.273 532 K HN 2.135 nan 8.250 nan 0.000 0.477 533 G N 0.264 109.011 108.800 -0.088 0.000 2.179 533 G HA2 -0.363 3.603 3.960 0.009 0.000 0.260 533 G HA3 -0.363 3.603 3.960 0.009 0.000 0.260 533 G C -0.161 174.550 174.900 -0.315 0.000 0.977 533 G CA 0.928 45.990 45.100 -0.064 0.000 0.641 533 G HN 0.711 nan 8.290 nan 0.000 0.533 534 E N -0.272 119.639 120.200 -0.482 0.000 2.266 534 E HA 0.674 5.029 4.350 0.009 0.000 0.268 534 E C -0.472 175.900 176.600 -0.381 0.000 0.879 534 E CA -1.316 54.729 56.400 -0.592 0.000 0.762 534 E CB 1.731 30.931 29.700 -0.832 0.000 1.199 534 E HN 0.205 nan 8.360 nan 0.000 0.422 535 L N 4.512 125.568 121.223 -0.279 0.000 2.315 535 L HA 0.285 4.630 4.340 0.009 0.000 0.283 535 L C 0.085 176.828 176.870 -0.213 0.000 1.089 535 L CA -0.565 54.151 54.840 -0.206 0.000 0.833 535 L CB 0.456 42.435 42.059 -0.133 0.000 1.170 535 L HN 0.768 nan 8.230 nan 0.000 0.442 536 M N 4.536 123.970 119.600 -0.276 0.000 2.336 536 M HA -0.127 4.359 4.480 0.009 0.000 0.371 536 M C 0.981 177.133 176.300 -0.247 0.000 1.542 536 M CA 0.108 55.230 55.300 -0.297 0.000 0.959 536 M CB 0.106 32.515 32.600 -0.318 0.000 2.033 536 M HN 0.538 nan 8.290 nan 0.000 0.472 537 D N 3.306 123.563 120.400 -0.239 0.000 2.182 537 D HA -0.170 4.475 4.640 0.009 0.000 0.201 537 D C 1.711 177.899 176.300 -0.187 0.000 0.986 537 D CA 1.620 55.551 54.000 -0.115 0.000 0.847 537 D CB -0.104 40.809 40.800 0.188 0.000 0.942 537 D HN 0.705 nan 8.370 nan 0.000 0.467 538 M N -0.089 119.288 119.600 -0.371 0.000 2.629 538 M HA -0.034 4.452 4.480 0.009 0.000 0.257 538 M C 1.479 177.659 176.300 -0.200 0.000 1.071 538 M CA 1.152 56.316 55.300 -0.228 0.000 1.077 538 M CB -0.411 32.032 32.600 -0.262 0.000 1.423 538 M HN -0.063 nan 8.290 nan 0.000 0.508 539 S N -1.001 114.572 115.700 -0.212 0.000 2.578 539 S HA 0.313 4.788 4.470 0.009 0.000 0.231 539 S C 1.413 175.929 174.600 -0.140 0.000 0.994 539 S CA -0.766 57.314 58.200 -0.199 0.000 0.956 539 S CB -0.083 62.984 63.200 -0.222 0.000 0.870 539 S HN 0.629 nan 8.310 nan 0.000 0.494 540 R N 1.314 121.728 120.500 -0.142 0.000 2.393 540 R HA 0.350 4.695 4.340 0.009 0.000 0.244 540 R C 1.606 177.851 176.300 -0.092 0.000 0.920 540 R CA 0.286 56.348 56.100 -0.063 0.000 1.076 540 R CB -0.104 30.154 30.300 -0.070 0.000 1.119 540 R HN 0.487 nan 8.270 nan 0.000 0.524 541 G N 3.125 111.698 108.800 -0.379 0.000 2.634 541 G HA2 -0.446 3.519 3.960 0.009 0.000 0.309 541 G HA3 -0.446 3.519 3.960 0.009 0.000 0.309 541 G C 0.677 175.459 174.900 -0.197 0.000 1.265 541 G CA 0.788 45.575 45.100 -0.522 0.000 0.998 541 G HN 0.521 nan 8.290 nan 0.000 0.551 542 R N 0.175 120.657 120.500 -0.030 0.000 2.339 542 R HA 0.253 4.599 4.340 0.009 0.000 0.199 542 R C 2.072 178.333 176.300 -0.064 0.000 1.018 542 R CA 1.680 57.759 56.100 -0.035 0.000 1.036 542 R CB -0.262 30.067 30.300 0.048 0.000 0.899 542 R HN 0.275 nan 8.270 nan 0.000 0.473 543 S N 1.546 117.217 115.700 -0.049 0.000 2.555 543 S HA 0.026 4.502 4.470 0.009 0.000 0.230 543 S C 1.764 176.301 174.600 -0.105 0.000 0.978 543 S CA 0.738 58.893 58.200 -0.076 0.000 0.934 543 S CB -0.216 62.939 63.200 -0.074 0.000 0.766 543 S HN 0.557 nan 8.310 nan 0.000 0.533 544 I N 0.543 120.978 120.570 -0.226 0.000 2.614 544 I HA -0.045 4.131 4.170 0.009 0.000 0.258 544 I C 1.921 177.909 176.117 -0.215 0.000 1.189 544 I CA 1.171 62.232 61.300 -0.398 0.000 1.462 544 I CB -0.599 36.738 38.000 -1.105 0.000 1.092 544 I HN 0.220 nan 8.210 nan 0.000 0.442 545 S N 0.603 116.241 115.700 -0.103 0.000 2.603 545 S HA 0.177 4.652 4.470 0.009 0.000 0.220 545 S C 0.880 175.662 174.600 0.303 0.000 0.967 545 S CA -0.445 57.855 58.200 0.167 0.000 0.920 545 S CB -0.344 62.867 63.200 0.018 0.000 0.773 545 S HN 0.462 nan 8.310 nan 0.000 0.529 546 R N 1.631 122.187 120.500 0.095 0.000 2.204 546 R HA 0.303 4.649 4.340 0.009 0.000 0.341 546 R C 0.913 177.000 176.300 -0.354 0.000 1.035 546 R CA -0.252 55.794 56.100 -0.090 0.000 0.887 546 R CB 0.724 30.965 30.300 -0.099 0.000 1.114 546 R HN 0.417 nan 8.270 nan 0.000 0.473 547 E N 2.871 122.555 120.200 -0.859 0.000 2.097 547 E HA -0.259 4.096 4.350 0.009 0.000 0.196 547 E C 1.344 177.610 176.600 -0.557 0.000 1.000 547 E CA 1.806 57.395 56.400 -1.351 0.000 0.804 547 E CB 0.173 28.907 29.700 -1.610 0.000 0.740 547 E HN 0.735 nan 8.360 nan 0.000 0.454 548 A N 0.319 122.929 122.820 -0.351 0.000 2.119 548 A HA 0.206 4.531 4.320 0.009 0.000 0.216 548 A C 1.512 179.017 177.584 -0.131 0.000 1.152 548 A CA 0.828 52.750 52.037 -0.191 0.000 0.708 548 A CB 0.101 19.011 19.000 -0.151 0.000 0.805 548 A HN 0.234 nan 8.150 nan 0.000 0.460 549 A N 1.252 123.988 122.820 -0.140 0.000 3.157 549 A HA 0.533 4.858 4.320 0.009 0.000 0.276 549 A C 0.782 178.337 177.584 -0.048 0.000 1.524 549 A CA 0.198 52.178 52.037 -0.096 0.000 1.236 549 A CB -0.961 17.978 19.000 -0.102 0.000 1.173 549 A HN 0.621 nan 8.150 nan 0.000 0.595 550 S N 0.330 116.012 115.700 -0.031 0.000 2.608 550 S HA 0.233 4.709 4.470 0.009 0.000 0.261 550 S C 1.409 176.021 174.600 0.020 0.000 1.314 550 S CA 0.195 58.428 58.200 0.056 0.000 0.992 550 S CB 0.862 64.108 63.200 0.077 0.000 0.935 550 S HN 1.103 nan 8.310 nan 0.000 0.564 551 S N -0.325 115.437 115.700 0.105 0.000 2.406 551 S HA -0.119 4.357 4.470 0.009 0.000 0.228 551 S C 1.585 176.100 174.600 -0.142 0.000 1.020 551 S CA 0.700 58.904 58.200 0.006 0.000 0.965 551 S CB -0.987 62.256 63.200 0.073 0.000 0.798 551 S HN 0.825 nan 8.310 nan 0.000 0.488 552 H N 1.267 120.231 119.070 -0.178 0.000 2.436 552 H HA 0.239 4.799 4.556 0.008 0.000 0.294 552 H C 2.556 177.452 175.328 -0.721 0.000 1.048 552 H CA 1.173 56.992 56.048 -0.382 0.000 1.353 552 H CB -0.227 29.313 29.762 -0.369 0.000 1.414 552 H HN 0.595 nan 8.280 nan 0.000 0.536 553 A N 1.120 123.554 122.820 -0.643 0.000 1.929 553 A HA 0.011 4.336 4.320 0.009 0.000 0.216 553 A C 2.623 180.063 177.584 -0.240 0.000 1.176 553 A CA 1.164 52.913 52.037 -0.480 0.000 0.628 553 A CB -0.546 18.316 19.000 -0.231 0.000 0.816 553 A HN 0.394 nan 8.150 nan 0.000 0.444 554 A N -0.062 122.640 122.820 -0.198 0.000 1.972 554 A HA 0.172 4.497 4.320 0.009 0.000 0.219 554 A C 2.422 179.901 177.584 -0.175 0.000 1.169 554 A CA 1.930 53.874 52.037 -0.155 0.000 0.635 554 A CB -0.801 18.130 19.000 -0.116 0.000 0.810 554 A HN 0.958 nan 8.150 nan 0.000 0.446 555 A N -0.637 122.064 122.820 -0.198 0.000 1.897 555 A HA 0.058 4.383 4.320 0.009 0.000 0.215 555 A C 2.155 179.605 177.584 -0.224 0.000 1.181 555 A CA 1.573 53.492 52.037 -0.197 0.000 0.620 555 A CB -0.783 18.101 19.000 -0.192 0.000 0.821 555 A HN 0.372 nan 8.150 nan 0.000 0.443 556 V N 0.273 120.075 119.914 -0.188 0.000 2.515 556 V HA -0.252 3.873 4.120 0.009 0.000 0.250 556 V C 2.444 178.411 176.094 -0.212 0.000 1.058 556 V CA 2.137 64.340 62.300 -0.161 0.000 1.064 556 V CB -0.708 31.088 31.823 -0.045 0.000 0.675 556 V HN 0.780 nan 8.190 nan 0.000 0.461 557 E N 0.514 120.589 120.200 -0.208 0.000 2.118 557 E HA -0.216 4.139 4.350 0.009 0.000 0.195 557 E C 2.048 178.455 176.600 -0.322 0.000 0.992 557 E CA 2.151 58.422 56.400 -0.215 0.000 0.804 557 E CB 0.057 29.651 29.700 -0.177 0.000 0.741 557 E HN 0.618 nan 8.360 nan 0.000 0.458 558 V N -1.551 118.079 119.914 -0.473 0.000 2.825 558 V HA -0.022 4.103 4.120 0.009 0.000 0.246 558 V C 2.371 177.713 176.094 -1.254 0.000 1.068 558 V CA 0.531 62.312 62.300 -0.864 0.000 1.088 558 V CB -0.529 30.667 31.823 -1.045 0.000 0.733 558 V HN 0.168 nan 8.190 nan 0.000 0.468 559 L N 1.366 122.079 121.223 -0.851 0.000 2.079 559 L HA -0.155 4.190 4.340 0.009 0.000 0.210 559 L C 3.148 179.817 176.870 -0.335 0.000 1.081 559 L CA 2.451 56.939 54.840 -0.585 0.000 0.752 559 L CB -0.585 41.304 42.059 -0.285 0.000 0.896 559 L HN 0.484 nan 8.230 nan 0.000 0.433 560 R N -0.028 120.298 120.500 -0.290 0.000 2.115 560 R HA -0.067 4.278 4.340 0.009 0.000 0.230 560 R C 2.155 178.380 176.300 -0.126 0.000 1.111 560 R CA 1.357 57.354 56.100 -0.173 0.000 0.976 560 R CB -0.958 29.249 30.300 -0.155 0.000 0.870 560 R HN 0.236 nan 8.270 nan 0.000 0.445 561 G N 0.853 109.543 108.800 -0.184 0.000 2.394 561 G HA2 -0.152 3.814 3.960 0.009 0.000 0.215 561 G HA3 -0.152 3.814 3.960 0.009 0.000 0.215 561 G C 1.041 175.997 174.900 0.093 0.000 1.165 561 G CA 0.120 45.182 45.100 -0.063 0.000 0.784 561 G HN 0.186 nan 8.290 nan 0.000 0.535 562 F N 0.720 120.592 119.950 -0.130 0.000 2.202 562 F HA 0.080 4.611 4.527 0.006 0.000 0.301 562 F C 2.443 178.196 175.800 -0.078 0.000 1.082 562 F CA -0.149 57.775 58.000 -0.128 0.000 1.313 562 F CB -0.972 37.955 39.000 -0.122 0.000 1.024 562 F HN 0.069 nan 8.300 nan 0.000 0.495 563 L N -0.154 121.140 121.223 0.119 0.000 2.093 563 L HA -0.186 4.159 4.340 0.009 0.000 0.208 563 L C 2.596 179.499 176.870 0.055 0.000 1.085 563 L CA 1.192 56.071 54.840 0.065 0.000 0.755 563 L CB -0.273 41.796 42.059 0.017 0.000 0.904 563 L HN 0.085 nan 8.230 nan 0.000 0.435 564 R N -0.586 119.943 120.500 0.048 0.000 2.081 564 R HA -0.217 4.129 4.340 0.009 0.000 0.235 564 R C 2.090 178.424 176.300 0.057 0.000 1.131 564 R CA 1.322 57.453 56.100 0.051 0.000 0.960 564 R CB -0.572 29.756 30.300 0.046 0.000 0.856 564 R HN 0.237 nan 8.270 nan 0.000 0.436 565 L N 1.032 122.284 121.223 0.047 0.000 1.994 565 L HA -0.063 4.282 4.340 0.009 0.000 0.208 565 L C 2.338 179.241 176.870 0.055 0.000 1.071 565 L CA 1.987 56.835 54.840 0.015 0.000 0.745 565 L CB -0.703 41.296 42.059 -0.100 0.000 0.892 565 L HN 0.137 nan 8.230 nan 0.000 0.431 566 A N -0.606 122.254 122.820 0.068 0.000 2.024 566 A HA -0.208 4.118 4.320 0.009 0.000 0.220 566 A C 1.968 179.603 177.584 0.086 0.000 1.164 566 A CA 1.814 53.915 52.037 0.107 0.000 0.643 566 A CB -0.790 18.268 19.000 0.097 0.000 0.806 566 A HN 0.624 nan 8.150 nan 0.000 0.451 567 N N -0.709 118.033 118.700 0.070 0.000 2.494 567 N HA 0.037 4.782 4.740 0.009 0.000 0.182 567 N C 1.448 176.996 175.510 0.063 0.000 1.076 567 N CA 0.683 53.770 53.050 0.061 0.000 0.908 567 N CB -0.314 38.208 38.487 0.058 0.000 0.967 567 N HN 0.568 nan 8.380 nan 0.000 0.449 568 M N -0.557 119.084 119.600 0.069 0.000 2.296 568 M HA -0.054 4.432 4.480 0.009 0.000 0.265 568 M C 0.842 177.174 176.300 0.054 0.000 1.064 568 M CA 0.682 56.021 55.300 0.065 0.000 1.109 568 M CB 0.087 32.729 32.600 0.071 0.000 1.396 568 M HN 0.071 nan 8.290 nan 0.000 0.430 569 S N -1.216 114.516 115.700 0.054 0.000 2.752 569 S HA 0.314 4.789 4.470 0.009 0.000 0.284 569 S C -0.602 174.015 174.600 0.028 0.000 1.189 569 S CA -0.958 57.262 58.200 0.034 0.000 0.835 569 S CB 1.114 64.328 63.200 0.024 0.000 1.192 569 S HN 0.298 nan 8.310 nan 0.000 0.506 570 N N -0.007 118.700 118.700 0.012 0.000 2.282 570 N HA 0.248 4.993 4.740 0.009 0.000 0.240 570 N C -0.755 174.750 175.510 -0.009 0.000 1.182 570 N CA -0.170 52.884 53.050 0.006 0.000 0.874 570 N CB 0.594 39.085 38.487 0.006 0.000 1.126 570 N HN 0.553 nan 8.380 nan 0.000 0.516 571 E N 0.933 121.120 120.200 -0.022 0.000 2.392 571 E HA -0.039 4.316 4.350 0.009 0.000 0.259 571 E C 1.022 177.589 176.600 -0.055 0.000 1.108 571 E CA -0.142 56.229 56.400 -0.047 0.000 0.916 571 E CB 0.850 30.505 29.700 -0.075 0.000 0.989 571 E HN 0.158 nan 8.360 nan 0.000 0.432 572 E N 2.675 122.837 120.200 -0.063 0.000 2.086 572 E HA -0.327 4.028 4.350 0.009 0.000 0.205 572 E C 1.935 178.490 176.600 -0.074 0.000 1.027 572 E CA 2.050 58.414 56.400 -0.059 0.000 0.830 572 E CB -0.059 29.604 29.700 -0.063 0.000 0.751 572 E HN 0.598 nan 8.360 nan 0.000 0.456 573 R N 0.215 120.633 120.500 -0.138 0.000 2.159 573 R HA -0.080 4.265 4.340 0.009 0.000 0.237 573 R C 1.859 178.113 176.300 -0.078 0.000 1.131 573 R CA 1.632 57.620 56.100 -0.186 0.000 0.982 573 R CB -0.427 29.602 30.300 -0.451 0.000 0.868 573 R HN 0.162 nan 8.270 nan 0.000 0.453 574 N N 1.031 119.709 118.700 -0.037 0.000 2.173 574 N HA -0.041 4.704 4.740 0.009 0.000 0.184 574 N C 1.982 177.521 175.510 0.049 0.000 1.025 574 N CA 1.328 54.416 53.050 0.064 0.000 0.852 574 N CB -0.063 38.459 38.487 0.058 0.000 0.998 574 N HN 0.236 nan 8.380 nan 0.000 0.427 575 L N 0.862 122.095 121.223 0.017 0.000 2.083 575 L HA -0.163 4.183 4.340 0.009 0.000 0.209 575 L C 2.073 178.955 176.870 0.019 0.000 1.083 575 L CA 1.138 55.989 54.840 0.017 0.000 0.752 575 L CB -0.433 41.628 42.059 0.004 0.000 0.899 575 L HN 0.083 nan 8.230 nan 0.000 0.433 576 D N 0.133 120.540 120.400 0.012 0.000 2.117 576 D HA -0.191 4.454 4.640 0.009 0.000 0.198 576 D C 2.058 178.379 176.300 0.036 0.000 0.982 576 D CA 0.708 54.717 54.000 0.015 0.000 0.828 576 D CB 0.117 40.916 40.800 -0.002 0.000 0.967 576 D HN 0.085 nan 8.370 nan 0.000 0.464 577 L N 0.889 122.149 121.223 0.061 0.000 2.046 577 L HA -0.068 4.277 4.340 0.009 0.000 0.208 577 L C 1.906 178.818 176.870 0.071 0.000 1.077 577 L CA 1.756 56.645 54.840 0.082 0.000 0.747 577 L CB -0.497 41.642 42.059 0.134 0.000 0.896 577 L HN -0.069 nan 8.230 nan 0.000 0.432 578 K N -1.160 119.277 120.400 0.062 0.000 2.057 578 K HA -0.165 4.160 4.320 0.009 0.000 0.207 578 K C 2.333 178.957 176.600 0.039 0.000 1.049 578 K CA 1.492 57.809 56.287 0.050 0.000 0.931 578 K CB -0.309 32.216 32.500 0.041 0.000 0.714 578 K HN 0.392 nan 8.250 nan 0.000 0.440 579 S N 0.161 115.881 115.700 0.033 0.000 2.368 579 S HA -0.132 4.343 4.470 0.009 0.000 0.225 579 S C 1.901 176.517 174.600 0.027 0.000 1.030 579 S CA 1.799 60.015 58.200 0.026 0.000 0.999 579 S CB -0.228 62.985 63.200 0.021 0.000 0.844 579 S HN 0.276 nan 8.310 nan 0.000 0.459 580 T N 2.355 116.929 114.554 0.034 0.000 2.708 580 T HA 0.026 4.381 4.350 0.009 0.000 0.266 580 T C 1.706 176.429 174.700 0.038 0.000 1.037 580 T CA 1.549 63.669 62.100 0.035 0.000 1.146 580 T CB -0.354 68.542 68.868 0.047 0.000 0.865 580 T HN 0.400 nan 8.240 nan 0.000 0.435 581 I N 0.792 121.394 120.570 0.054 0.000 2.179 581 I HA -0.173 4.002 4.170 0.009 0.000 0.242 581 I C 2.604 178.731 176.117 0.016 0.000 1.088 581 I CA 1.329 62.656 61.300 0.045 0.000 1.357 581 I CB -0.318 37.715 38.000 0.055 0.000 1.051 581 I HN 0.174 nan 8.210 nan 0.000 0.409 582 K N 0.548 120.958 120.400 0.017 0.000 2.097 582 K HA -0.166 4.159 4.320 0.009 0.000 0.206 582 K C 2.027 178.634 176.600 0.012 0.000 1.049 582 K CA 1.794 58.088 56.287 0.011 0.000 0.933 582 K CB -0.031 32.479 32.500 0.017 0.000 0.717 582 K HN 0.249 nan 8.250 nan 0.000 0.442 583 T N 1.405 115.966 114.554 0.012 0.000 2.737 583 T HA -0.089 4.266 4.350 0.009 0.000 0.265 583 T C 1.826 176.528 174.700 0.002 0.000 1.038 583 T CA 1.480 63.585 62.100 0.008 0.000 1.144 583 T CB -0.133 68.737 68.868 0.004 0.000 0.866 583 T HN 0.174 nan 8.240 nan 0.000 0.434 584 I N 0.844 121.411 120.570 -0.004 0.000 2.142 584 I HA -0.153 4.022 4.170 0.009 0.000 0.240 584 I C 2.284 178.405 176.117 0.008 0.000 1.078 584 I CA 0.964 62.256 61.300 -0.013 0.000 1.343 584 I CB -0.405 37.582 38.000 -0.022 0.000 1.046 584 I HN 0.170 nan 8.210 nan 0.000 0.405 585 I N 1.054 121.626 120.570 0.003 0.000 2.099 585 I HA -0.282 3.893 4.170 0.009 0.000 0.239 585 I C 2.891 179.025 176.117 0.030 0.000 1.066 585 I CA 2.488 63.793 61.300 0.008 0.000 1.324 585 I CB -1.837 36.145 38.000 -0.030 0.000 1.037 585 I HN 0.395 nan 8.210 nan 0.000 0.401 586 T N -2.331 112.238 114.554 0.025 0.000 3.007 586 T HA -0.053 4.303 4.350 0.009 0.000 0.270 586 T C 1.810 176.537 174.700 0.045 0.000 1.107 586 T CA 1.387 63.508 62.100 0.035 0.000 1.118 586 T CB -0.348 68.538 68.868 0.029 0.000 0.889 586 T HN 0.162 nan 8.240 nan 0.000 0.506 587 S N 1.491 117.218 115.700 0.046 0.000 2.501 587 S HA 0.159 4.634 4.470 0.009 0.000 0.220 587 S C 0.894 175.546 174.600 0.087 0.000 0.997 587 S CA -0.278 57.955 58.200 0.055 0.000 0.919 587 S CB -0.335 62.887 63.200 0.037 0.000 0.778 587 S HN 0.564 nan 8.310 nan 0.000 0.523 588 N N 2.005 120.769 118.700 0.107 0.000 2.448 588 N HA 0.176 4.921 4.740 0.009 0.000 0.250 588 N C 0.384 175.992 175.510 0.165 0.000 1.136 588 N CA 0.046 53.205 53.050 0.181 0.000 0.953 588 N CB 0.716 39.346 38.487 0.238 0.000 1.251 588 N HN -0.164 nan 8.380 nan 0.000 0.502 589 K N 2.534 123.029 120.400 0.158 0.000 2.305 589 K HA 0.106 4.432 4.320 0.009 0.000 0.199 589 K C 1.145 177.825 176.600 0.133 0.000 1.047 589 K CA 0.222 56.579 56.287 0.118 0.000 0.976 589 K CB -0.321 32.239 32.500 0.100 0.000 0.765 589 K HN 0.490 nan 8.250 nan 0.000 0.474 590 F N 0.012 119.972 119.950 0.017 0.000 2.051 590 F HA -0.079 4.452 4.527 0.007 0.000 0.296 590 F C 0.597 176.372 175.800 -0.042 0.000 1.122 590 F CA 1.009 58.975 58.000 -0.056 0.000 1.201 590 F CB -0.365 38.527 39.000 -0.180 0.000 0.978 590 F HN -0.002 nan 8.300 nan 0.000 0.472 591 Y N 1.454 121.526 120.300 -0.380 0.000 2.334 591 Y HA 0.286 4.840 4.550 0.007 0.000 0.328 591 Y C -0.205 175.593 175.900 -0.170 0.000 1.130 591 Y CA -1.274 56.581 58.100 -0.408 0.000 1.163 591 Y CB 0.318 38.653 38.460 -0.209 0.000 1.207 591 Y HN 0.058 nan 8.280 nan 0.000 0.471 592 N N 4.959 123.227 118.700 -0.720 0.000 2.462 592 N HA 0.031 4.776 4.740 0.009 0.000 0.242 592 N C 0.745 175.913 175.510 -0.570 0.000 1.010 592 N CA 0.070 52.848 53.050 -0.453 0.000 0.939 592 N CB 1.149 39.423 38.487 -0.354 0.000 1.127 592 N HN 0.757 nan 8.380 nan 0.000 0.509 593 V N 4.911 124.687 119.914 -0.229 0.000 2.313 593 V HA -0.265 3.861 4.120 0.009 0.000 0.253 593 V C 1.248 177.158 176.094 -0.307 0.000 1.070 593 V CA 1.933 64.116 62.300 -0.195 0.000 1.057 593 V CB -0.745 30.881 31.823 -0.329 0.000 0.653 593 V HN 0.639 nan 8.190 nan 0.000 0.450 594 F N 0.697 120.567 119.950 -0.134 0.000 2.722 594 F HA -0.004 4.528 4.527 0.007 0.000 0.298 594 F C 2.089 177.807 175.800 -0.136 0.000 1.175 594 F CA 1.393 59.326 58.000 -0.111 0.000 1.462 594 F CB -0.910 38.025 39.000 -0.108 0.000 1.111 594 F HN 0.316 nan 8.300 nan 0.000 0.592 595 N N -0.206 118.417 118.700 -0.128 0.000 2.512 595 N HA -0.117 4.628 4.740 0.009 0.000 0.183 595 N C 0.978 176.492 175.510 0.006 0.000 1.073 595 N CA 0.332 53.292 53.050 -0.151 0.000 0.911 595 N CB -0.113 38.093 38.487 -0.469 0.000 0.964 595 N HN 0.351 nan 8.380 nan 0.000 0.447 596 N N 0.215 118.944 118.700 0.048 0.000 2.377 596 N HA 0.174 4.919 4.740 0.009 0.000 0.259 596 N C -1.289 174.210 175.510 -0.018 0.000 1.332 596 N CA -0.078 53.005 53.050 0.055 0.000 0.877 596 N CB 0.623 39.183 38.487 0.123 0.000 1.299 596 N HN -0.019 nan 8.380 nan 0.000 0.501 597 L N 1.755 122.965 121.223 -0.023 0.000 2.294 597 L HA 0.432 4.777 4.340 0.009 0.000 0.283 597 L C 0.399 177.261 176.870 -0.013 0.000 1.015 597 L CA -0.576 54.243 54.840 -0.034 0.000 0.831 597 L CB 1.555 43.595 42.059 -0.031 0.000 1.217 597 L HN -0.084 nan 8.230 nan 0.000 0.420 598 K N 1.592 121.962 120.400 -0.049 0.000 2.440 598 K HA 0.215 4.540 4.320 0.009 0.000 0.206 598 K C 0.085 176.605 176.600 -0.134 0.000 1.025 598 K CA -0.019 56.223 56.287 -0.075 0.000 1.135 598 K CB 0.658 33.111 32.500 -0.078 0.000 0.856 598 K HN 0.609 nan 8.250 nan 0.000 0.502 599 S N -1.305 114.318 115.700 -0.127 0.000 2.556 599 S HA 0.367 4.842 4.470 0.009 0.000 0.271 599 S C 0.424 174.960 174.600 -0.106 0.000 1.135 599 S CA -0.735 57.335 58.200 -0.218 0.000 0.858 599 S CB 0.597 63.701 63.200 -0.159 0.000 1.114 599 S HN -0.005 nan 8.310 nan 0.000 0.468 600 Y N 1.790 122.110 120.300 0.034 0.000 2.256 600 Y HA -0.103 4.452 4.550 0.008 0.000 0.288 600 Y C 2.918 178.817 175.900 -0.003 0.000 1.155 600 Y CA 1.313 59.426 58.100 0.022 0.000 1.203 600 Y CB -1.359 37.146 38.460 0.074 0.000 0.980 600 Y HN 0.781 nan 8.280 nan 0.000 0.530 601 S N -0.226 115.553 115.700 0.131 0.000 2.355 601 S HA -0.173 4.302 4.470 0.009 0.000 0.222 601 S C 1.530 176.159 174.600 0.049 0.000 1.031 601 S CA 1.443 59.695 58.200 0.086 0.000 0.993 601 S CB -0.433 62.815 63.200 0.080 0.000 0.859 601 S HN 0.386 nan 8.310 nan 0.000 0.453 602 D N 1.523 121.936 120.400 0.023 0.000 2.144 602 D HA 0.079 4.724 4.640 0.009 0.000 0.200 602 D C 1.877 178.200 176.300 0.038 0.000 0.978 602 D CA 0.632 54.634 54.000 0.004 0.000 0.833 602 D CB -0.360 40.420 40.800 -0.034 0.000 0.961 602 D HN 0.365 nan 8.370 nan 0.000 0.470 603 I N 1.094 121.722 120.570 0.096 0.000 2.226 603 I HA -0.250 3.925 4.170 0.009 0.000 0.245 603 I C 2.448 178.677 176.117 0.187 0.000 1.100 603 I CA 1.043 62.474 61.300 0.219 0.000 1.374 603 I CB -0.156 37.967 38.000 0.205 0.000 1.057 603 I HN -0.077 nan 8.210 nan 0.000 0.413 604 A N 0.677 123.548 122.820 0.084 0.000 1.902 604 A HA -0.236 4.089 4.320 0.009 0.000 0.217 604 A C 2.060 179.666 177.584 0.037 0.000 1.181 604 A CA 2.086 54.138 52.037 0.026 0.000 0.623 604 A CB -1.042 17.938 19.000 -0.033 0.000 0.818 604 A HN 0.490 nan 8.150 nan 0.000 0.443 605 N N -1.284 117.439 118.700 0.038 0.000 2.069 605 N HA -0.209 4.536 4.740 0.009 0.000 0.191 605 N C 1.785 177.313 175.510 0.029 0.000 1.031 605 N CA 1.700 54.767 53.050 0.028 0.000 0.852 605 N CB -0.201 38.298 38.487 0.019 0.000 1.018 605 N HN 0.419 nan 8.380 nan 0.000 0.423 606 M N 1.536 121.154 119.600 0.031 0.000 2.132 606 M HA -0.084 4.401 4.480 0.009 0.000 0.263 606 M C 1.264 177.636 176.300 0.120 0.000 1.065 606 M CA 1.565 56.868 55.300 0.004 0.000 1.122 606 M CB -0.493 31.994 32.600 -0.190 0.000 1.365 606 M HN 0.115 nan 8.290 nan 0.000 0.411 607 N N -0.473 118.345 118.700 0.197 0.000 2.043 607 N HA -0.209 4.536 4.740 0.009 0.000 0.193 607 N C 1.570 177.120 175.510 0.068 0.000 1.037 607 N CA 1.625 54.765 53.050 0.151 0.000 0.851 607 N CB -0.145 38.380 38.487 0.063 0.000 1.027 607 N HN 0.382 nan 8.380 nan 0.000 0.422 608 K N 0.590 121.014 120.400 0.040 0.000 2.032 608 K HA -0.161 4.164 4.320 0.009 0.000 0.209 608 K C 2.033 178.648 176.600 0.026 0.000 1.048 608 K CA 0.920 57.219 56.287 0.021 0.000 0.927 608 K CB -0.292 32.216 32.500 0.014 0.000 0.712 608 K HN 0.090 nan 8.250 nan 0.000 0.441 609 L N 1.489 122.730 121.223 0.030 0.000 1.970 609 L HA -0.168 4.177 4.340 0.009 0.000 0.212 609 L C 1.933 178.820 176.870 0.028 0.000 1.071 609 L CA 1.637 56.492 54.840 0.025 0.000 0.751 609 L CB -0.456 41.613 42.059 0.017 0.000 0.889 609 L HN 0.154 nan 8.230 nan 0.000 0.432 610 L N -0.588 120.659 121.223 0.040 0.000 2.127 610 L HA -0.224 4.121 4.340 0.009 0.000 0.211 610 L C 1.470 178.362 176.870 0.036 0.000 1.089 610 L CA 1.764 56.632 54.840 0.046 0.000 0.757 610 L CB -0.684 41.426 42.059 0.085 0.000 0.899 610 L HN 0.469 nan 8.230 nan 0.000 0.434 611 N N -1.451 117.267 118.700 0.031 0.000 2.236 611 N HA -0.022 4.723 4.740 0.009 0.000 0.196 611 N C 0.007 175.524 175.510 0.011 0.000 1.114 611 N CA -0.165 52.895 53.050 0.016 0.000 0.859 611 N CB 0.316 38.808 38.487 0.007 0.000 0.982 611 N HN 0.085 nan 8.380 nan 0.000 0.493 612 D N 0.618 121.027 120.400 0.014 0.000 2.365 612 D HA 0.045 4.690 4.640 0.009 0.000 0.237 612 D C 0.970 177.277 176.300 0.011 0.000 1.190 612 D CA -0.148 53.859 54.000 0.012 0.000 0.867 612 D CB 0.774 41.583 40.800 0.014 0.000 1.050 612 D HN 0.170 nan 8.370 nan 0.000 0.491 613 S N 1.496 117.201 115.700 0.008 0.000 2.447 613 S HA -0.187 4.288 4.470 0.009 0.000 0.233 613 S C 1.786 176.391 174.600 0.009 0.000 1.006 613 S CA 1.281 59.486 58.200 0.008 0.000 0.957 613 S CB -0.509 62.694 63.200 0.006 0.000 0.773 613 S HN 0.536 nan 8.310 nan 0.000 0.507 614 T N -0.563 113.996 114.554 0.009 0.000 3.118 614 T HA 0.192 4.547 4.350 0.009 0.000 0.260 614 T C 0.409 175.115 174.700 0.010 0.000 1.139 614 T CA 0.053 62.158 62.100 0.009 0.000 1.085 614 T CB -0.448 68.425 68.868 0.008 0.000 0.934 614 T HN 0.186 nan 8.240 nan 0.000 0.518 615 V N 2.271 122.192 119.914 0.012 0.000 2.311 615 V HA 0.741 4.866 4.120 0.009 0.000 0.275 615 V C 0.495 176.598 176.094 0.015 0.000 1.022 615 V CA -1.067 61.242 62.300 0.015 0.000 0.830 615 V CB 0.256 32.089 31.823 0.018 0.000 1.012 615 V HN 0.659 nan 8.190 nan 0.000 0.452 616 A N 4.106 126.935 122.820 0.014 0.000 2.282 616 A HA 0.855 5.180 4.320 0.009 0.000 0.319 616 A C 0.509 178.103 177.584 0.015 0.000 1.121 616 A CA -0.344 51.702 52.037 0.014 0.000 0.836 616 A CB 0.988 19.995 19.000 0.012 0.000 1.146 616 A HN 0.813 nan 8.150 nan 0.000 0.494 617 T N -0.185 114.378 114.554 0.016 0.000 2.918 617 T HA 0.603 4.958 4.350 0.009 0.000 0.283 617 T C -0.275 174.435 174.700 0.016 0.000 1.001 617 T CA -0.774 61.335 62.100 0.016 0.000 1.041 617 T CB 0.901 69.780 68.868 0.017 0.000 1.028 617 T HN 0.764 nan 8.240 nan 0.000 0.511 618 K N 0.538 120.947 120.400 0.015 0.000 2.340 618 K HA 0.604 4.929 4.320 0.009 0.000 0.244 618 K C -2.881 173.730 176.600 0.020 0.000 0.973 618 K CA -2.042 54.255 56.287 0.017 0.000 0.828 618 K CB 0.719 33.228 32.500 0.015 0.000 1.226 618 K HN 0.434 nan 8.250 nan 0.000 0.437 619 P HA 0.079 nan 4.420 nan 0.000 0.269 619 P C -0.205 177.120 177.300 0.041 0.000 1.217 619 P CA -0.323 62.798 63.100 0.035 0.000 0.783 619 P CB 0.300 32.022 31.700 0.037 0.000 0.898 620 L N 0.137 121.398 121.223 0.064 0.000 2.461 620 L HA 0.341 4.686 4.340 0.009 0.000 0.272 620 L C 0.834 177.778 176.870 0.122 0.000 1.197 620 L CA 0.045 54.943 54.840 0.097 0.000 0.836 620 L CB -0.440 41.742 42.059 0.206 0.000 1.105 620 L HN 0.324 nan 8.230 nan 0.000 0.477 621 K N 0.983 121.457 120.400 0.124 0.000 2.376 621 K HA 0.408 4.733 4.320 0.009 0.000 0.257 621 K C -0.724 175.974 176.600 0.163 0.000 0.939 621 K CA -0.363 55.989 56.287 0.108 0.000 0.809 621 K CB 1.757 34.289 32.500 0.053 0.000 1.121 621 K HN 0.667 nan 8.250 nan 0.000 0.425 622 S N 2.226 117.974 115.700 0.080 0.000 2.572 622 S HA 0.127 4.602 4.470 0.009 0.000 0.279 622 S C -0.444 174.122 174.600 -0.056 0.000 1.341 622 S CA -0.201 57.970 58.200 -0.048 0.000 1.043 622 S CB 0.271 63.361 63.200 -0.183 0.000 0.887 622 S HN 0.718 nan 8.310 nan 0.000 0.516 623 N N 1.467 120.124 118.700 -0.071 0.000 2.367 623 N HA 0.512 5.257 4.740 0.009 0.000 0.278 623 N C -1.845 173.695 175.510 0.050 0.000 1.117 623 N CA -0.547 52.492 53.050 -0.020 0.000 0.867 623 N CB 0.982 39.481 38.487 0.019 0.000 1.649 623 N HN 0.522 nan 8.380 nan 0.000 0.479 624 L N 2.185 123.437 121.223 0.048 0.000 2.491 624 L HA 0.573 4.918 4.340 0.009 0.000 0.267 624 L C -1.283 175.542 176.870 -0.075 0.000 0.971 624 L CA -0.337 54.560 54.840 0.096 0.000 0.857 624 L CB 1.539 43.643 42.059 0.076 0.000 1.226 624 L HN 0.627 nan 8.230 nan 0.000 0.408 625 S N 1.128 116.734 115.700 -0.156 0.000 2.449 625 S HA 0.473 4.949 4.470 0.009 0.000 0.310 625 S C -0.020 174.278 174.600 -0.503 0.000 1.096 625 S CA -0.530 57.382 58.200 -0.481 0.000 1.095 625 S CB 1.527 64.194 63.200 -0.889 0.000 1.007 625 S HN 0.626 nan 8.310 nan 0.000 0.474 626 T N 0.707 114.977 114.554 -0.473 0.000 3.145 626 T HA 0.432 4.788 4.350 0.009 0.000 0.362 626 T C -0.491 174.034 174.700 -0.291 0.000 1.340 626 T CA -0.554 61.358 62.100 -0.314 0.000 1.069 626 T CB -0.898 67.805 68.868 -0.276 0.000 1.129 626 T HN 0.314 nan 8.240 nan 0.000 0.585 627 F N 2.611 122.518 119.950 -0.072 0.000 2.661 627 F HA 0.334 4.865 4.527 0.007 0.000 0.356 627 F C 1.400 177.147 175.800 -0.087 0.000 1.244 627 F CA -1.153 56.808 58.000 -0.065 0.000 1.290 627 F CB -0.865 38.098 39.000 -0.061 0.000 1.677 627 F HN 0.488 nan 8.300 nan 0.000 0.649 628 N N -0.054 118.671 118.700 0.041 0.000 2.166 628 N HA -0.177 4.568 4.740 0.009 0.000 0.186 628 N C 1.997 177.505 175.510 -0.004 0.000 1.019 628 N CA 1.199 54.253 53.050 0.008 0.000 0.856 628 N CB -0.027 38.460 38.487 0.001 0.000 0.993 628 N HN 0.269 nan 8.380 nan 0.000 0.426 629 S N 0.343 116.026 115.700 -0.029 0.000 2.440 629 S HA -0.100 4.375 4.470 0.009 0.000 0.238 629 S C 1.478 175.885 174.600 -0.322 0.000 1.010 629 S CA 1.106 59.171 58.200 -0.226 0.000 0.972 629 S CB -0.159 62.823 63.200 -0.364 0.000 0.774 629 S HN 0.506 nan 8.310 nan 0.000 0.501 630 M N -1.041 118.455 119.600 -0.173 0.000 2.504 630 M HA 0.395 4.881 4.480 0.009 0.000 0.370 630 M C -1.023 175.233 176.300 -0.073 0.000 1.110 630 M CA -0.115 55.082 55.300 -0.171 0.000 0.938 630 M CB 0.530 33.003 32.600 -0.213 0.000 1.460 630 M HN -0.236 nan 8.290 nan 0.000 0.535 631 D N 2.541 122.926 120.400 -0.026 0.000 2.697 631 D HA -0.120 4.525 4.640 0.009 0.000 0.238 631 D C -0.667 175.636 176.300 0.004 0.000 1.152 631 D CA 0.822 54.826 54.000 0.006 0.000 0.666 631 D CB -0.364 40.458 40.800 0.036 0.000 1.037 631 D HN 0.505 nan 8.370 nan 0.000 0.423 632 R N -0.055 120.467 120.500 0.037 0.000 2.837 632 R HA 0.788 5.133 4.340 0.009 0.000 0.271 632 R C -0.192 176.180 176.300 0.119 0.000 0.993 632 R CA -0.873 55.258 56.100 0.051 0.000 0.931 632 R CB 2.074 32.390 30.300 0.027 0.000 1.206 632 R HN 0.202 nan 8.270 nan 0.000 0.474 633 L N 0.427 121.691 121.223 0.069 0.000 2.476 633 L HA 0.719 5.064 4.340 0.009 0.000 0.269 633 L C -1.349 175.579 176.870 0.096 0.000 0.965 633 L CA -0.445 54.428 54.840 0.055 0.000 0.845 633 L CB 1.918 43.959 42.059 -0.031 0.000 1.259 633 L HN 0.796 nan 8.230 nan 0.000 0.403 634 A N 3.901 126.819 122.820 0.164 0.000 2.342 634 A HA 0.759 5.085 4.320 0.009 0.000 0.323 634 A C -2.020 175.718 177.584 0.257 0.000 1.125 634 A CA -0.371 51.785 52.037 0.198 0.000 0.785 634 A CB 1.258 20.414 19.000 0.260 0.000 1.221 634 A HN 0.686 nan 8.150 nan 0.000 0.463 635 Y N 1.497 121.893 120.300 0.160 0.000 2.479 635 Y HA 0.577 5.133 4.550 0.011 0.000 0.338 635 Y C -2.192 173.802 175.900 0.157 0.000 1.055 635 Y CA -1.345 56.838 58.100 0.139 0.000 1.023 635 Y CB 1.705 40.285 38.460 0.199 0.000 1.287 635 Y HN 0.742 nan 8.280 nan 0.000 0.447 636 Y N 6.587 126.474 120.300 -0.688 0.000 2.373 636 Y HA 0.449 5.003 4.550 0.008 0.000 0.336 636 Y C -1.469 173.787 175.900 -1.074 0.000 0.979 636 Y CA -1.042 56.620 58.100 -0.730 0.000 1.080 636 Y CB 1.276 39.530 38.460 -0.343 0.000 1.190 636 Y HN 0.730 nan 8.280 nan 0.000 0.446 637 N N 4.788 122.326 118.700 -1.937 0.000 2.501 637 N HA 0.323 5.068 4.740 0.009 0.000 0.245 637 N C 0.260 174.966 175.510 -1.340 0.000 0.974 637 N CA 0.598 52.794 53.050 -1.424 0.000 0.941 637 N CB 1.866 39.520 38.487 -1.387 0.000 1.122 637 N HN 0.950 nan 8.380 nan 0.000 0.507 638 A N 4.499 126.815 122.820 -0.840 0.000 1.898 638 A HA -0.150 4.176 4.320 0.009 0.000 0.216 638 A C 2.106 179.575 177.584 -0.193 0.000 1.181 638 A CA 1.319 53.126 52.037 -0.385 0.000 0.620 638 A CB -0.253 18.755 19.000 0.014 0.000 0.819 638 A HN 0.736 nan 8.150 nan 0.000 0.442 639 K N -0.439 119.874 120.400 -0.145 0.000 2.020 639 K HA -0.162 4.163 4.320 0.009 0.000 0.212 639 K C 1.509 178.089 176.600 -0.033 0.000 1.050 639 K CA 1.740 57.992 56.287 -0.059 0.000 0.929 639 K CB -0.021 32.452 32.500 -0.046 0.000 0.714 639 K HN 0.149 nan 8.250 nan 0.000 0.443 640 K N 0.660 121.035 120.400 -0.041 0.000 2.426 640 K HA -0.031 4.294 4.320 0.009 0.000 0.193 640 K C -0.376 176.299 176.600 0.125 0.000 1.028 640 K CA 0.477 56.834 56.287 0.117 0.000 1.047 640 K CB -0.073 32.651 32.500 0.373 0.000 0.821 640 K HN 0.306 nan 8.250 nan 0.000 0.513 641 D N 0.672 121.014 120.400 -0.097 0.000 2.812 641 D HA -0.225 4.420 4.640 0.009 0.000 0.237 641 D C -1.140 175.241 176.300 0.134 0.000 1.162 641 D CA 0.574 54.551 54.000 -0.038 0.000 0.740 641 D CB -1.369 39.507 40.800 0.125 0.000 1.000 641 D HN 0.232 nan 8.370 nan 0.000 0.416 642 F N -1.272 118.593 119.950 -0.142 0.000 2.619 642 F HA 0.792 5.326 4.527 0.011 0.000 0.308 642 F C 0.182 176.030 175.800 0.080 0.000 1.097 642 F CA -0.502 57.537 58.000 0.066 0.000 0.953 642 F CB 1.114 40.153 39.000 0.065 0.000 1.287 642 F HN 0.049 nan 8.300 nan 0.000 0.446 643 G N 1.219 110.333 108.800 0.522 0.000 2.454 643 G HA2 0.679 4.644 3.960 0.009 0.000 0.329 643 G HA3 0.679 4.644 3.960 0.009 0.000 0.329 643 G C -2.463 172.922 174.900 0.809 0.000 1.177 643 G CA -0.933 44.471 45.100 0.506 0.000 0.951 643 G HN 0.925 nan 8.290 nan 0.000 0.485 644 F N 0.464 120.734 119.950 0.532 0.000 2.608 644 F HA 0.727 5.258 4.527 0.008 0.000 0.309 644 F C -0.563 175.505 175.800 0.446 0.000 1.103 644 F CA -0.822 57.518 58.000 0.567 0.000 0.954 644 F CB 1.943 41.314 39.000 0.618 0.000 1.267 644 F HN 0.817 nan 8.300 nan 0.000 0.444 645 A N 5.958 128.579 122.820 -0.331 0.000 2.475 645 A HA 0.842 5.167 4.320 0.009 0.000 0.301 645 A C -2.247 175.016 177.584 -0.535 0.000 1.059 645 A CA -0.730 51.128 52.037 -0.299 0.000 0.710 645 A CB 1.752 20.692 19.000 -0.101 0.000 1.288 645 A HN 0.839 nan 8.150 nan 0.000 0.408 646 L N 1.283 122.296 121.223 -0.349 0.000 2.385 646 L HA 0.534 4.880 4.340 0.009 0.000 0.273 646 L C -0.492 176.299 176.870 -0.132 0.000 0.990 646 L CA -0.451 54.202 54.840 -0.312 0.000 0.821 646 L CB 2.432 44.213 42.059 -0.464 0.000 1.279 646 L HN 0.706 nan 8.230 nan 0.000 0.412 647 S N 5.105 120.786 115.700 -0.031 0.000 2.594 647 S HA 0.671 5.146 4.470 0.009 0.000 0.322 647 S C -0.373 174.262 174.600 0.058 0.000 1.085 647 S CA -0.521 57.709 58.200 0.049 0.000 1.116 647 S CB 0.760 64.062 63.200 0.170 0.000 0.979 647 S HN 0.343 nan 8.310 nan 0.000 0.465 648 L N 3.297 124.546 121.223 0.043 0.000 2.235 648 L HA 0.753 5.099 4.340 0.009 0.000 0.260 648 L C -0.118 176.865 176.870 0.188 0.000 1.025 648 L CA -1.197 53.695 54.840 0.088 0.000 0.836 648 L CB 1.477 43.537 42.059 0.002 0.000 1.395 648 L HN 0.688 nan 8.230 nan 0.000 0.443 649 H N -0.778 118.386 119.070 0.157 0.000 3.037 649 H HA 0.763 5.324 4.556 0.009 0.000 0.355 649 H C -1.428 173.997 175.328 0.161 0.000 1.263 649 H CA -0.464 55.670 56.048 0.142 0.000 1.129 649 H CB 1.979 31.843 29.762 0.170 0.000 1.861 649 H HN 0.705 nan 8.280 nan 0.000 0.546 650 S N 0.734 116.574 115.700 0.232 0.000 2.929 650 S HA 0.268 4.744 4.470 0.009 0.000 0.311 650 S C 0.361 175.066 174.600 0.174 0.000 1.213 650 S CA -0.901 57.398 58.200 0.165 0.000 0.908 650 S CB 1.553 64.815 63.200 0.103 0.000 1.287 650 S HN 0.614 nan 8.310 nan 0.000 0.594 651 K N 0.382 120.857 120.400 0.125 0.000 2.442 651 K HA 0.130 4.455 4.320 0.009 0.000 0.198 651 K C 2.034 178.681 176.600 0.077 0.000 1.044 651 K CA 0.787 57.135 56.287 0.101 0.000 0.948 651 K CB -0.185 32.364 32.500 0.082 0.000 0.762 651 K HN 0.350 nan 8.250 nan 0.000 0.472 652 R N 0.261 120.802 120.500 0.068 0.000 2.161 652 R HA -0.001 4.344 4.340 0.009 0.000 0.213 652 R C 0.682 176.992 176.300 0.017 0.000 1.055 652 R CA 1.141 57.259 56.100 0.030 0.000 0.996 652 R CB 0.328 30.630 30.300 0.002 0.000 0.901 652 R HN 0.226 nan 8.270 nan 0.000 0.456 653 T N -2.467 112.120 114.554 0.056 0.000 2.896 653 T HA 0.399 4.754 4.350 0.009 0.000 0.297 653 T C -0.752 173.990 174.700 0.070 0.000 1.108 653 T CA -0.938 61.186 62.100 0.040 0.000 1.004 653 T CB 1.756 70.638 68.868 0.023 0.000 1.159 653 T HN -0.110 nan 8.240 nan 0.000 0.499 654 L N 2.804 124.033 121.223 0.011 0.000 2.371 654 L HA 0.338 4.683 4.340 0.009 0.000 0.272 654 L C 1.649 178.486 176.870 -0.054 0.000 1.124 654 L CA -0.276 54.546 54.840 -0.029 0.000 0.816 654 L CB 0.601 42.621 42.059 -0.064 0.000 1.129 654 L HN 0.880 nan 8.230 nan 0.000 0.448 655 N N 2.620 121.217 118.700 -0.171 0.000 2.223 655 N HA -0.137 4.608 4.740 0.009 0.000 0.185 655 N C -0.429 175.154 175.510 0.121 0.000 1.016 655 N CA 1.679 54.592 53.050 -0.229 0.000 0.863 655 N CB -0.383 37.860 38.487 -0.407 0.000 0.983 655 N HN 0.634 nan 8.380 nan 0.000 0.429 656 Y N -3.006 117.245 120.300 -0.082 0.000 2.638 656 Y HA 0.499 5.054 4.550 0.008 0.000 0.334 656 Y C -1.754 174.106 175.900 -0.066 0.000 1.182 656 Y CA -1.589 56.462 58.100 -0.082 0.000 1.102 656 Y CB 0.533 38.945 38.460 -0.079 0.000 1.343 656 Y HN 0.031 nan 8.280 nan 0.000 0.463 657 E N 1.768 121.777 120.200 -0.318 0.000 2.145 657 E HA 0.653 5.009 4.350 0.009 0.000 0.270 657 E C -1.034 175.433 176.600 -0.222 0.000 0.906 657 E CA -1.103 55.101 56.400 -0.327 0.000 0.761 657 E CB 1.417 31.079 29.700 -0.062 0.000 1.116 657 E HN 1.084 nan 8.360 nan 0.000 0.408 658 G N 5.380 114.007 108.800 -0.287 0.000 2.728 658 G HA2 0.541 4.507 3.960 0.009 0.000 0.296 658 G HA3 0.541 4.507 3.960 0.009 0.000 0.296 658 G C -0.575 174.312 174.900 -0.021 0.000 1.401 658 G CA -0.575 44.492 45.100 -0.056 0.000 1.007 658 G HN 0.560 nan 8.290 nan 0.000 0.527 659 M N 0.688 120.301 119.600 0.021 0.000 2.644 659 M HA 0.553 5.038 4.480 0.009 0.000 0.273 659 M C -0.185 176.136 176.300 0.036 0.000 1.253 659 M CA -0.797 54.522 55.300 0.031 0.000 0.852 659 M CB 1.435 34.056 32.600 0.036 0.000 1.708 659 M HN 0.403 nan 8.290 nan 0.000 0.471 660 N N 0.856 119.572 118.700 0.026 0.000 2.721 660 N HA -0.192 4.553 4.740 0.009 0.000 0.249 660 N C -1.000 174.519 175.510 0.015 0.000 1.072 660 N CA 0.894 53.952 53.050 0.014 0.000 0.710 660 N CB -1.138 37.352 38.487 0.006 0.000 0.993 660 N HN 0.942 nan 8.380 nan 0.000 0.547 661 D N -0.511 119.905 120.400 0.027 0.000 2.870 661 D HA -0.156 4.490 4.640 0.009 0.000 0.228 661 D C -0.396 175.915 176.300 0.019 0.000 1.147 661 D CA 1.463 55.480 54.000 0.029 0.000 0.757 661 D CB -0.742 40.073 40.800 0.025 0.000 1.091 661 D HN 0.654 nan 8.370 nan 0.000 0.429 662 E N -0.027 120.182 120.200 0.016 0.000 2.238 662 E HA 0.409 4.764 4.350 0.009 0.000 0.267 662 E C 0.377 176.969 176.600 -0.013 0.000 0.887 662 E CA -0.823 55.580 56.400 0.004 0.000 0.769 662 E CB 1.409 31.112 29.700 0.005 0.000 1.187 662 E HN 0.170 nan 8.360 nan 0.000 0.416 663 N N 1.461 120.130 118.700 -0.052 0.000 2.746 663 N HA -0.199 4.546 4.740 0.009 0.000 0.250 663 N C 0.766 176.196 175.510 -0.132 0.000 1.055 663 N CA 0.424 53.406 53.050 -0.114 0.000 0.699 663 N CB -0.393 38.053 38.487 -0.068 0.000 0.919 663 N HN 0.676 nan 8.380 nan 0.000 0.548 664 T N -2.284 112.173 114.554 -0.162 0.000 3.007 664 T HA -0.090 4.265 4.350 0.009 0.000 0.270 664 T C 1.161 175.570 174.700 -0.485 0.000 1.107 664 T CA 0.811 62.808 62.100 -0.172 0.000 1.118 664 T CB 0.028 68.836 68.868 -0.101 0.000 0.889 664 T HN 0.395 nan 8.240 nan 0.000 0.506 665 R N 0.384 120.361 120.500 -0.873 0.000 2.668 665 R HA 0.336 4.682 4.340 0.009 0.000 0.435 665 R C 1.249 176.549 176.300 -1.667 0.000 1.059 665 R CA 0.060 54.975 56.100 -1.975 0.000 1.073 665 R CB 0.476 29.810 30.300 -1.611 0.000 1.401 665 R HN 0.361 nan 8.270 nan 0.000 0.590 666 G N 0.198 108.313 108.800 -1.142 0.000 3.327 666 G HA2 -0.051 3.915 3.960 0.009 0.000 0.240 666 G HA3 -0.051 3.915 3.960 0.009 0.000 0.240 666 G C 0.723 174.845 174.900 -1.298 0.000 1.222 666 G CA -0.416 44.182 45.100 -0.835 0.000 0.871 666 G HN 0.301 nan 8.290 nan 0.000 0.525 667 W N 0.450 120.906 121.300 -1.408 0.000 2.290 667 W HA -0.176 4.490 4.660 0.009 0.000 0.318 667 W C 0.788 176.676 176.519 -1.052 0.000 1.248 667 W CA 0.802 57.154 57.345 -1.655 0.000 1.263 667 W CB -0.878 27.578 29.460 -1.674 0.000 1.147 667 W HN 0.394 nan 8.180 nan 0.000 0.494 668 Y N 0.239 120.453 120.300 -0.143 0.000 2.696 668 Y HA 0.136 4.692 4.550 0.009 0.000 0.260 668 Y C 2.032 177.961 175.900 0.048 0.000 1.165 668 Y CA 0.096 58.216 58.100 0.032 0.000 1.189 668 Y CB -1.190 37.331 38.460 0.102 0.000 1.180 668 Y HN -0.116 nan 8.280 nan 0.000 0.538 669 T N -4.135 110.471 114.554 0.088 0.000 3.118 669 T HA 0.073 4.428 4.350 0.009 0.000 0.260 669 T C 1.686 176.508 174.700 0.203 0.000 1.139 669 T CA 1.017 63.206 62.100 0.149 0.000 1.085 669 T CB -0.057 68.868 68.868 0.095 0.000 0.934 669 T HN 0.412 nan 8.240 nan 0.000 0.518 670 G N 0.428 109.376 108.800 0.247 0.000 3.735 670 G HA2 0.259 4.225 3.960 0.009 0.000 0.283 670 G HA3 0.259 4.225 3.960 0.009 0.000 0.283 670 G C -0.187 175.005 174.900 0.486 0.000 1.007 670 G CA -0.441 44.846 45.100 0.311 0.000 0.821 670 G HN 0.317 nan 8.290 nan 0.000 0.505 671 D N 1.188 121.818 120.400 0.384 0.000 3.168 671 D HA 0.350 4.995 4.640 0.009 0.000 0.255 671 D C 1.451 177.824 176.300 0.122 0.000 1.314 671 D CA 0.308 54.475 54.000 0.280 0.000 0.900 671 D CB 0.090 40.992 40.800 0.171 0.000 1.072 671 D HN 0.306 nan 8.370 nan 0.000 0.487 672 G N 1.465 110.401 108.800 0.227 0.000 2.182 672 G HA2 -0.316 3.649 3.960 0.009 0.000 0.248 672 G HA3 -0.316 3.649 3.960 0.009 0.000 0.248 672 G C 0.323 175.448 174.900 0.375 0.000 1.042 672 G CA 0.030 45.338 45.100 0.346 0.000 0.775 672 G HN 0.418 nan 8.290 nan 0.000 0.501 673 M N 0.258 120.000 119.600 0.236 0.000 2.233 673 M HA 0.657 5.142 4.480 0.009 0.000 0.350 673 M C 0.460 176.867 176.300 0.179 0.000 1.176 673 M CA -0.620 54.788 55.300 0.180 0.000 1.150 673 M CB 0.296 32.941 32.600 0.076 0.000 1.530 673 M HN 0.530 nan 8.290 nan 0.000 0.459 674 F N 3.075 123.072 119.950 0.078 0.000 2.579 674 F HA 0.756 5.288 4.527 0.008 0.000 0.324 674 F C -2.284 173.489 175.800 -0.045 0.000 1.058 674 F CA -1.012 57.021 58.000 0.054 0.000 0.944 674 F CB 0.948 40.188 39.000 0.399 0.000 1.245 674 F HN 0.476 nan 8.300 nan 0.000 0.477 675 Y N 2.219 122.422 120.300 -0.162 0.000 2.512 675 Y HA 0.680 5.236 4.550 0.009 0.000 0.348 675 Y C -0.792 175.168 175.900 0.099 0.000 0.990 675 Y CA -1.309 56.645 58.100 -0.243 0.000 1.033 675 Y CB 2.063 40.232 38.460 -0.485 0.000 1.259 675 Y HN 0.492 nan 8.280 nan 0.000 0.461 676 I N 3.087 123.780 120.570 0.206 0.000 2.478 676 I HA 0.241 4.417 4.170 0.009 0.000 0.287 676 I C -1.495 174.626 176.117 0.008 0.000 1.042 676 I CA -1.239 60.242 61.300 0.302 0.000 1.067 676 I CB 1.450 39.656 38.000 0.344 0.000 1.233 676 I HN 0.600 nan 8.210 nan 0.000 0.431 677 Y N 6.339 126.877 120.300 0.397 0.000 2.342 677 Y HA 0.371 4.927 4.550 0.010 0.000 0.338 677 Y C 0.759 176.815 175.900 0.259 0.000 0.965 677 Y CA -0.471 57.810 58.100 0.302 0.000 1.159 677 Y CB 0.985 39.606 38.460 0.267 0.000 1.157 677 Y HN 0.564 nan 8.280 nan 0.000 0.486 678 N N -1.080 117.768 118.700 0.246 0.000 3.294 678 N HA 0.213 4.958 4.740 0.009 0.000 0.355 678 N C 0.630 176.225 175.510 0.143 0.000 1.497 678 N CA -0.451 52.713 53.050 0.190 0.000 0.707 678 N CB 0.870 39.409 38.487 0.087 0.000 1.732 678 N HN 0.359 nan 8.380 nan 0.000 0.640 679 S N -1.295 114.462 115.700 0.095 0.000 2.537 679 S HA -0.178 4.298 4.470 0.009 0.000 0.240 679 S C 0.267 174.881 174.600 0.023 0.000 0.981 679 S CA 0.906 59.147 58.200 0.069 0.000 0.948 679 S CB -0.679 62.550 63.200 0.049 0.000 0.759 679 S HN 0.593 nan 8.310 nan 0.000 0.531 680 D N 1.623 122.017 120.400 -0.009 0.000 2.500 680 D HA 0.212 4.857 4.640 0.009 0.000 0.219 680 D C 0.921 177.174 176.300 -0.079 0.000 1.137 680 D CA -0.293 53.664 54.000 -0.073 0.000 0.946 680 D CB 0.495 41.232 40.800 -0.106 0.000 1.022 680 D HN 0.425 nan 8.370 nan 0.000 0.518 681 Q N 0.885 120.620 119.800 -0.108 0.000 2.437 681 Q HA -0.078 4.268 4.340 0.009 0.000 0.210 681 Q C 1.315 176.984 176.000 -0.552 0.000 0.972 681 Q CA 0.747 56.480 55.803 -0.116 0.000 0.903 681 Q CB 0.134 28.878 28.738 0.010 0.000 0.967 681 Q HN 0.428 nan 8.270 nan 0.000 0.486 682 S N -1.494 113.748 115.700 -0.763 0.000 2.557 682 S HA -0.014 4.461 4.470 0.009 0.000 0.223 682 S C 1.229 175.610 174.600 -0.365 0.000 0.969 682 S CA -0.186 57.477 58.200 -0.895 0.000 0.927 682 S CB 0.052 62.811 63.200 -0.734 0.000 0.806 682 S HN 0.425 nan 8.310 nan 0.000 0.489 683 H N 1.218 120.057 119.070 -0.385 0.000 2.290 683 H HA -0.089 4.473 4.556 0.009 0.000 0.298 683 H C 0.841 175.778 175.328 -0.652 0.000 1.087 683 H CA 2.386 58.126 56.048 -0.514 0.000 1.291 683 H CB -0.316 29.032 29.762 -0.691 0.000 1.369 683 H HN 0.556 nan 8.280 nan 0.000 0.492 684 Y N -0.141 119.968 120.300 -0.319 0.000 2.490 684 Y HA 0.222 4.777 4.550 0.008 0.000 0.281 684 Y C 1.201 177.032 175.900 -0.116 0.000 1.174 684 Y CA 0.091 57.839 58.100 -0.586 0.000 1.295 684 Y CB 0.343 38.606 38.460 -0.328 0.000 1.062 684 Y HN 0.088 nan 8.280 nan 0.000 0.522 685 S N -0.935 114.827 115.700 0.105 0.000 2.702 685 S HA 0.125 4.600 4.470 0.009 0.000 0.272 685 S C 0.180 174.886 174.600 0.176 0.000 1.068 685 S CA -0.777 57.580 58.200 0.262 0.000 0.964 685 S CB 0.314 63.727 63.200 0.355 0.000 1.307 685 S HN 0.408 nan 8.310 nan 0.000 0.567 686 N N 1.373 120.170 118.700 0.162 0.000 2.699 686 N HA -0.259 4.486 4.740 0.009 0.000 0.256 686 N C -0.941 174.589 175.510 0.033 0.000 0.993 686 N CA 0.564 53.620 53.050 0.010 0.000 0.759 686 N CB -1.108 37.413 38.487 0.056 0.000 0.906 686 N HN 0.748 nan 8.380 nan 0.000 0.541 687 H N -2.587 116.710 119.070 0.379 0.000 2.862 687 H HA -0.233 4.329 4.556 0.010 0.000 0.290 687 H C 0.867 176.223 175.328 0.048 0.000 1.211 687 H CA 1.255 57.453 56.048 0.250 0.000 1.140 687 H CB -2.075 27.777 29.762 0.151 0.000 1.341 687 H HN 0.604 nan 8.280 nan 0.000 0.392 688 F N -0.308 119.654 119.950 0.021 0.000 2.060 688 F HA -0.116 4.417 4.527 0.010 0.000 0.295 688 F C 2.217 177.873 175.800 -0.241 0.000 1.120 688 F CA 1.721 59.640 58.000 -0.136 0.000 1.205 688 F CB -0.425 38.375 39.000 -0.333 0.000 0.986 688 F HN 0.165 nan 8.300 nan 0.000 0.470 689 W N 1.387 122.667 121.300 -0.034 0.000 2.342 689 W HA -0.140 4.525 4.660 0.008 0.000 0.297 689 W C -0.402 175.757 176.519 -0.599 0.000 1.213 689 W CA 1.289 58.452 57.345 -0.304 0.000 1.251 689 W CB -1.880 27.576 29.460 -0.006 0.000 1.136 689 W HN 0.133 nan 8.180 nan 0.000 0.526 690 P HA -0.048 nan 4.420 nan 0.000 0.224 690 P C 1.314 178.360 177.300 -0.423 0.000 1.157 690 P CA 2.187 64.911 63.100 -0.626 0.000 0.799 690 P CB -0.150 30.941 31.700 -1.016 0.000 0.809 691 T N -3.657 110.670 114.554 -0.377 0.000 3.037 691 T HA 0.111 4.466 4.350 0.009 0.000 0.251 691 T C 0.857 175.238 174.700 -0.532 0.000 1.079 691 T CA -0.178 61.758 62.100 -0.275 0.000 1.067 691 T CB -0.856 68.008 68.868 -0.006 0.000 0.948 691 T HN -0.102 nan 8.240 nan 0.000 0.496 692 V N 3.024 122.432 119.914 -0.844 0.000 2.655 692 V HA 0.202 4.327 4.120 0.009 0.000 0.300 692 V C 0.327 175.963 176.094 -0.763 0.000 1.044 692 V CA -0.627 60.923 62.300 -1.249 0.000 1.095 692 V CB 0.141 31.011 31.823 -1.589 0.000 0.952 692 V HN 0.676 nan 8.190 nan 0.000 0.485 693 N N 8.118 126.406 118.700 -0.688 0.000 2.406 693 N HA 0.205 4.950 4.740 0.009 0.000 0.265 693 N C -1.425 173.957 175.510 -0.213 0.000 1.203 693 N CA -1.143 51.711 53.050 -0.327 0.000 0.945 693 N CB 0.975 39.323 38.487 -0.232 0.000 1.165 693 N HN 0.545 nan 8.380 nan 0.000 0.485 694 P HA -0.169 nan 4.420 nan 0.000 0.222 694 P C 0.221 177.497 177.300 -0.040 0.000 1.147 694 P CA 1.267 64.217 63.100 -0.250 0.000 0.790 694 P CB -0.001 31.355 31.700 -0.575 0.000 0.780 695 Y N 0.418 120.826 120.300 0.179 0.000 2.519 695 Y HA 0.084 4.640 4.550 0.009 0.000 0.287 695 Y C 1.467 177.478 175.900 0.184 0.000 1.128 695 Y CA 0.806 59.085 58.100 0.299 0.000 1.282 695 Y CB 0.003 38.579 38.460 0.192 0.000 1.027 695 Y HN -0.120 nan 8.280 nan 0.000 0.551 696 K N 0.396 120.909 120.400 0.190 0.000 3.163 696 K HA 0.226 4.551 4.320 0.009 0.000 0.186 696 K C -0.766 175.851 176.600 0.027 0.000 1.111 696 K CA -0.338 56.002 56.287 0.088 0.000 0.918 696 K CB 0.419 32.939 32.500 0.032 0.000 1.059 696 K HN -0.025 nan 8.250 nan 0.000 0.558 697 M N 1.590 121.231 119.600 0.068 0.000 2.246 697 M HA 0.128 4.613 4.480 0.009 0.000 0.350 697 M C 0.611 176.915 176.300 0.008 0.000 1.406 697 M CA -0.491 54.823 55.300 0.024 0.000 1.089 697 M CB -0.089 32.564 32.600 0.089 0.000 1.782 697 M HN 0.385 nan 8.290 nan 0.000 0.457 698 A N 3.213 125.986 122.820 -0.079 0.000 2.600 698 A HA 0.335 4.660 4.320 0.009 0.000 0.244 698 A C 1.445 179.102 177.584 0.122 0.000 1.016 698 A CA 1.034 53.016 52.037 -0.091 0.000 0.778 698 A CB -0.858 17.854 19.000 -0.481 0.000 0.920 698 A HN 1.415 nan 8.150 nan 0.000 0.513 699 G N 1.779 110.824 108.800 0.407 0.000 2.253 699 G HA2 -0.203 3.762 3.960 0.009 0.000 0.251 699 G HA3 -0.203 3.762 3.960 0.009 0.000 0.251 699 G C 0.709 175.822 174.900 0.356 0.000 0.998 699 G CA 1.052 46.500 45.100 0.580 0.000 0.621 699 G HN 2.262 nan 8.290 nan 0.000 0.524 700 T N -0.472 114.207 114.554 0.209 0.000 2.899 700 T HA 0.566 4.921 4.350 0.009 0.000 0.295 700 T C 0.018 174.738 174.700 0.034 0.000 1.033 700 T CA 0.654 62.809 62.100 0.091 0.000 1.084 700 T CB 1.886 70.789 68.868 0.059 0.000 0.979 700 T HN 0.404 nan 8.240 nan 0.000 0.532 701 T N 3.709 118.240 114.554 -0.039 0.000 2.772 701 T HA 0.524 4.880 4.350 0.009 0.000 0.288 701 T C -0.470 174.275 174.700 0.074 0.000 0.994 701 T CA -0.756 61.384 62.100 0.067 0.000 0.951 701 T CB 0.876 69.837 68.868 0.155 0.000 0.933 701 T HN 0.689 nan 8.240 nan 0.000 0.447 702 E N 1.802 122.040 120.200 0.063 0.000 2.446 702 E HA 0.494 4.849 4.350 0.009 0.000 0.269 702 E C -0.589 176.058 176.600 0.079 0.000 0.977 702 E CA -1.036 55.370 56.400 0.010 0.000 0.854 702 E CB 1.746 31.230 29.700 -0.360 0.000 1.545 702 E HN 0.296 nan 8.360 nan 0.000 0.448 703 K N 1.122 121.578 120.400 0.094 0.000 2.106 703 K HA 0.186 4.511 4.320 0.009 0.000 0.246 703 K C 0.274 176.954 176.600 0.134 0.000 0.987 703 K CA -0.360 56.001 56.287 0.122 0.000 0.904 703 K CB 0.766 33.355 32.500 0.148 0.000 1.071 703 K HN 0.500 nan 8.250 nan 0.000 0.453 704 D N -0.315 120.138 120.400 0.088 0.000 2.339 704 D HA 0.025 4.671 4.640 0.009 0.000 0.217 704 D C 0.367 176.662 176.300 -0.008 0.000 1.050 704 D CA -0.253 53.766 54.000 0.031 0.000 0.856 704 D CB -0.110 40.672 40.800 -0.030 0.000 0.922 704 D HN 0.426 nan 8.370 nan 0.000 0.518 705 A N 0.772 123.647 122.820 0.092 0.000 2.561 705 A HA 0.144 4.469 4.320 0.009 0.000 0.234 705 A C 0.532 178.167 177.584 0.085 0.000 1.055 705 A CA -0.164 51.928 52.037 0.092 0.000 0.756 705 A CB 0.087 19.196 19.000 0.182 0.000 0.986 705 A HN 0.221 nan 8.150 nan 0.000 0.505 706 K N 1.317 121.719 120.400 0.003 0.000 2.382 706 K HA 0.229 4.554 4.320 0.009 0.000 0.275 706 K C -0.209 176.386 176.600 -0.009 0.000 1.009 706 K CA 0.348 56.636 56.287 0.002 0.000 0.970 706 K CB 0.430 32.912 32.500 -0.030 0.000 0.934 706 K HN 0.635 nan 8.250 nan 0.000 0.479 707 R N 2.849 123.258 120.500 -0.152 0.000 2.637 707 R HA 0.272 4.618 4.340 0.009 0.000 0.291 707 R C -0.573 175.323 176.300 -0.673 0.000 0.963 707 R CA -0.841 54.778 56.100 -0.802 0.000 0.901 707 R CB 1.458 30.508 30.300 -2.083 0.000 1.160 707 R HN 0.736 nan 8.270 nan 0.000 0.457 708 E N 1.376 121.185 120.200 -0.650 0.000 2.366 708 E HA 0.060 4.416 4.350 0.009 0.000 0.266 708 E C -0.574 175.804 176.600 -0.371 0.000 1.051 708 E CA -0.214 55.872 56.400 -0.525 0.000 0.884 708 E CB 0.807 29.972 29.700 -0.892 0.000 1.006 708 E HN 0.256 nan 8.360 nan 0.000 0.417 709 D N 1.285 121.601 120.400 -0.139 0.000 2.425 709 D HA 0.031 4.676 4.640 0.009 0.000 0.247 709 D C -0.442 175.824 176.300 -0.057 0.000 1.147 709 D CA 0.418 54.453 54.000 0.059 0.000 0.879 709 D CB 0.492 41.313 40.800 0.036 0.000 1.179 709 D HN 0.076 nan 8.370 nan 0.000 0.456 710 T N 2.728 117.338 114.554 0.093 0.000 2.978 710 T HA 0.296 4.652 4.350 0.009 0.000 0.278 710 T C 0.452 175.216 174.700 0.106 0.000 0.945 710 T CA -0.391 61.772 62.100 0.105 0.000 1.070 710 T CB -0.324 68.670 68.868 0.210 0.000 0.948 710 T HN 0.381 nan 8.240 nan 0.000 0.617 711 T N -0.003 114.646 114.554 0.158 0.000 2.930 711 T HA 0.502 4.857 4.350 0.009 0.000 0.290 711 T C 1.183 175.989 174.700 0.175 0.000 1.052 711 T CA -1.166 61.022 62.100 0.146 0.000 1.017 711 T CB 2.134 71.083 68.868 0.135 0.000 1.137 711 T HN 0.186 nan 8.240 nan 0.000 0.511 712 K N 0.211 120.679 120.400 0.113 0.000 2.063 712 K HA -0.166 4.159 4.320 0.009 0.000 0.208 712 K C 2.247 178.906 176.600 0.098 0.000 1.048 712 K CA 1.830 58.170 56.287 0.089 0.000 0.928 712 K CB -0.074 32.458 32.500 0.053 0.000 0.713 712 K HN 0.846 nan 8.250 nan 0.000 0.442 713 E N 0.199 120.465 120.200 0.110 0.000 2.047 713 E HA -0.219 4.137 4.350 0.009 0.000 0.191 713 E C 1.955 178.631 176.600 0.127 0.000 0.987 713 E CA 1.071 57.529 56.400 0.097 0.000 0.799 713 E CB -0.202 29.555 29.700 0.094 0.000 0.752 713 E HN 0.305 nan 8.360 nan 0.000 0.449 714 F N 1.180 121.176 119.950 0.077 0.000 2.171 714 F HA -0.107 4.426 4.527 0.009 0.000 0.300 714 F C 2.299 178.216 175.800 0.194 0.000 1.090 714 F CA 1.514 59.591 58.000 0.127 0.000 1.293 714 F CB -0.096 38.981 39.000 0.128 0.000 1.013 714 F HN -0.002 nan 8.300 nan 0.000 0.486 715 M N 0.033 119.774 119.600 0.235 0.000 2.229 715 M HA -0.168 4.318 4.480 0.009 0.000 0.264 715 M C 2.403 178.720 176.300 0.028 0.000 1.063 715 M CA 1.707 57.096 55.300 0.147 0.000 1.114 715 M CB -0.543 32.163 32.600 0.177 0.000 1.387 715 M HN 0.387 nan 8.290 nan 0.000 0.420 716 S N 0.096 115.795 115.700 -0.002 0.000 2.423 716 S HA -0.093 4.382 4.470 0.009 0.000 0.231 716 S C 1.699 176.222 174.600 -0.128 0.000 1.014 716 S CA 0.794 58.970 58.200 -0.040 0.000 0.965 716 S CB -0.390 62.796 63.200 -0.023 0.000 0.785 716 S HN 0.434 nan 8.310 nan 0.000 0.495 717 K N 0.641 120.892 120.400 -0.247 0.000 2.280 717 K HA -0.037 4.288 4.320 0.009 0.000 0.202 717 K C 0.389 176.576 176.600 -0.688 0.000 1.047 717 K CA 1.084 57.075 56.287 -0.494 0.000 0.942 717 K CB -0.145 31.933 32.500 -0.704 0.000 0.739 717 K HN 0.684 nan 8.250 nan 0.000 0.457 718 H N -0.836 118.100 119.070 -0.223 0.000 2.591 718 H HA 0.097 4.658 4.556 0.009 0.000 0.241 718 H C 0.979 176.256 175.328 -0.085 0.000 1.292 718 H CA -0.001 55.957 56.048 -0.150 0.000 1.022 718 H CB 0.623 30.279 29.762 -0.177 0.000 1.875 718 H HN 0.113 nan 8.280 nan 0.000 0.570 719 S N 0.457 116.152 115.700 -0.008 0.000 2.461 719 S HA -0.258 4.217 4.470 0.009 0.000 0.249 719 S C 1.807 176.418 174.600 0.019 0.000 1.012 719 S CA 1.352 59.553 58.200 0.003 0.000 0.982 719 S CB 0.036 63.225 63.200 -0.017 0.000 0.764 719 S HN 0.349 nan 8.310 nan 0.000 0.506 720 K N 1.319 121.736 120.400 0.029 0.000 2.098 720 K HA -0.003 4.323 4.320 0.009 0.000 0.203 720 K C -0.050 176.573 176.600 0.039 0.000 1.051 720 K CA 1.276 57.580 56.287 0.029 0.000 0.957 720 K CB 0.109 32.626 32.500 0.027 0.000 0.738 720 K HN 0.685 nan 8.250 nan 0.000 0.447 721 D N -1.119 119.317 120.400 0.060 0.000 2.861 721 D HA 0.187 4.832 4.640 0.009 0.000 0.357 721 D C 0.349 176.690 176.300 0.068 0.000 1.250 721 D CA -0.278 53.757 54.000 0.058 0.000 0.802 721 D CB 0.669 41.502 40.800 0.055 0.000 1.141 721 D HN 0.013 nan 8.370 nan 0.000 0.489 722 A N 1.524 124.386 122.820 0.070 0.000 1.858 722 A HA -0.217 4.108 4.320 0.009 0.000 0.216 722 A C 2.054 179.700 177.584 0.103 0.000 1.190 722 A CA 1.070 53.161 52.037 0.090 0.000 0.617 722 A CB -0.163 18.882 19.000 0.075 0.000 0.827 722 A HN 0.187 nan 8.150 nan 0.000 0.443 723 K N -0.349 120.091 120.400 0.067 0.000 2.002 723 K HA -0.179 4.146 4.320 0.009 0.000 0.209 723 K C 2.040 178.701 176.600 0.101 0.000 1.048 723 K CA 1.398 57.718 56.287 0.055 0.000 0.930 723 K CB -0.553 31.959 32.500 0.019 0.000 0.714 723 K HN 0.695 nan 8.250 nan 0.000 0.438 724 E N 1.349 121.609 120.200 0.099 0.000 2.070 724 E HA -0.239 4.117 4.350 0.009 0.000 0.197 724 E C 1.862 178.580 176.600 0.198 0.000 1.004 724 E CA 1.598 58.077 56.400 0.133 0.000 0.805 724 E CB 0.119 29.872 29.700 0.089 0.000 0.744 724 E HN -0.023 nan 8.360 nan 0.000 0.451 725 K N -0.228 120.261 120.400 0.148 0.000 2.148 725 K HA -0.067 4.258 4.320 0.009 0.000 0.204 725 K C 1.960 178.718 176.600 0.265 0.000 1.050 725 K CA 1.675 58.062 56.287 0.166 0.000 0.942 725 K CB -0.328 32.107 32.500 -0.107 0.000 0.724 725 K HN 0.289 nan 8.250 nan 0.000 0.446 726 T N -3.593 111.102 114.554 0.236 0.000 3.107 726 T HA 0.220 4.575 4.350 0.009 0.000 0.249 726 T C 1.173 175.947 174.700 0.123 0.000 1.096 726 T CA 0.269 62.462 62.100 0.155 0.000 1.012 726 T CB 0.147 69.138 68.868 0.205 0.000 0.977 726 T HN 0.233 nan 8.240 nan 0.000 0.527 727 G N 1.575 110.513 108.800 0.230 0.000 2.160 727 G HA2 -0.239 3.726 3.960 0.009 0.000 0.244 727 G HA3 -0.239 3.726 3.960 0.009 0.000 0.244 727 G C -0.223 174.902 174.900 0.376 0.000 1.022 727 G CA -0.226 45.086 45.100 0.354 0.000 0.741 727 G HN 0.634 nan 8.290 nan 0.000 0.508 728 Q N 0.070 119.971 119.800 0.168 0.000 2.503 728 Q HA 0.532 4.878 4.340 0.009 0.000 0.227 728 Q C 0.227 176.240 176.000 0.021 0.000 1.109 728 Q CA -0.181 55.590 55.803 -0.053 0.000 0.922 728 Q CB 1.726 30.308 28.738 -0.260 0.000 1.249 728 Q HN 0.855 nan 8.270 nan 0.000 0.530 729 V N -1.278 118.673 119.914 0.061 0.000 3.130 729 V HA 0.731 4.856 4.120 0.009 0.000 0.310 729 V C -0.001 176.115 176.094 0.037 0.000 1.158 729 V CA -1.038 61.301 62.300 0.065 0.000 1.029 729 V CB 1.809 33.707 31.823 0.125 0.000 1.057 729 V HN 0.603 nan 8.190 nan 0.000 0.436 730 T N -0.213 114.385 114.554 0.074 0.000 2.927 730 T HA 0.726 5.081 4.350 0.009 0.000 0.281 730 T C 0.609 175.443 174.700 0.224 0.000 0.998 730 T CA 0.068 62.243 62.100 0.125 0.000 1.019 730 T CB 1.152 70.078 68.868 0.097 0.000 1.061 730 T HN 1.695 nan 8.240 nan 0.000 0.518 731 G N 0.066 109.080 108.800 0.356 0.000 2.594 731 G HA2 0.411 4.377 3.960 0.009 0.000 0.243 731 G HA3 0.411 4.377 3.960 0.009 0.000 0.243 731 G C 0.790 175.795 174.900 0.175 0.000 1.229 731 G CA -0.129 45.163 45.100 0.320 0.000 0.843 731 G HN 0.984 nan 8.290 nan 0.000 0.578 732 T N -2.123 112.513 114.554 0.136 0.000 3.044 732 T HA 0.301 4.656 4.350 0.009 0.000 0.260 732 T C 1.066 175.821 174.700 0.092 0.000 1.019 732 T CA 0.295 62.452 62.100 0.094 0.000 0.921 732 T CB 0.346 69.254 68.868 0.066 0.000 1.053 732 T HN 0.544 nan 8.240 nan 0.000 0.533 733 S N 0.577 116.345 115.700 0.112 0.000 2.525 733 S HA 0.296 4.772 4.470 0.009 0.000 0.290 733 S C 0.389 175.075 174.600 0.144 0.000 1.152 733 S CA -0.633 57.645 58.200 0.131 0.000 1.072 733 S CB 1.047 64.344 63.200 0.161 0.000 1.027 733 S HN 0.112 nan 8.310 nan 0.000 0.500 734 D N 2.103 122.597 120.400 0.156 0.000 2.289 734 D HA 0.009 4.655 4.640 0.009 0.000 0.207 734 D C -0.026 176.383 176.300 0.182 0.000 0.966 734 D CA 0.689 54.774 54.000 0.143 0.000 0.868 734 D CB 0.007 40.884 40.800 0.130 0.000 0.943 734 D HN 0.554 nan 8.370 nan 0.000 0.514 735 F N 2.132 122.132 119.950 0.083 0.000 2.619 735 F HA 0.154 4.687 4.527 0.009 0.000 0.350 735 F C -0.438 175.443 175.800 0.136 0.000 1.259 735 F CA -0.115 57.950 58.000 0.107 0.000 1.204 735 F CB -0.077 39.010 39.000 0.146 0.000 1.556 735 F HN -0.394 nan 8.300 nan 0.000 0.650 736 V N 2.718 122.588 119.914 -0.075 0.000 2.752 736 V HA 0.877 5.003 4.120 0.009 0.000 0.302 736 V C -0.109 175.975 176.094 -0.017 0.000 1.133 736 V CA -0.483 61.811 62.300 -0.009 0.000 0.919 736 V CB 1.273 33.139 31.823 0.072 0.000 1.026 736 V HN 0.730 nan 8.190 nan 0.000 0.429 737 G N 2.678 111.480 108.800 0.003 0.000 2.313 737 G HA2 0.683 4.649 3.960 0.009 0.000 0.296 737 G HA3 0.683 4.649 3.960 0.009 0.000 0.296 737 G C -1.075 173.799 174.900 -0.043 0.000 1.356 737 G CA 0.110 45.250 45.100 0.067 0.000 0.833 737 G HN 1.521 nan 8.290 nan 0.000 0.552 738 S N -2.141 113.412 115.700 -0.246 0.000 2.556 738 S HA 0.864 5.339 4.470 0.009 0.000 0.271 738 S C -1.478 172.785 174.600 -0.563 0.000 1.135 738 S CA -0.370 57.662 58.200 -0.279 0.000 0.858 738 S CB 1.942 65.035 63.200 -0.178 0.000 1.114 738 S HN 2.194 nan 8.310 nan 0.000 0.468 739 V N 1.764 121.457 119.914 -0.368 0.000 2.932 739 V HA 0.771 4.896 4.120 0.009 0.000 0.307 739 V C -1.698 174.293 176.094 -0.172 0.000 1.147 739 V CA -0.745 61.340 62.300 -0.358 0.000 0.951 739 V CB 2.072 33.710 31.823 -0.307 0.000 1.031 739 V HN 1.251 nan 8.190 nan 0.000 0.426 740 K N 5.009 125.325 120.400 -0.140 0.000 2.207 740 K HA 0.552 4.878 4.320 0.009 0.000 0.255 740 K C -0.115 176.477 176.600 -0.014 0.000 0.941 740 K CA -0.717 55.530 56.287 -0.067 0.000 0.825 740 K CB 2.280 34.730 32.500 -0.083 0.000 1.119 740 K HN 0.514 nan 8.250 nan 0.000 0.430 741 L N 2.062 123.314 121.223 0.048 0.000 2.084 741 L HA 0.099 4.444 4.340 0.009 0.000 0.202 741 L C 0.154 177.068 176.870 0.073 0.000 1.074 741 L CA 1.500 56.380 54.840 0.066 0.000 0.757 741 L CB -0.425 41.691 42.059 0.095 0.000 0.918 741 L HN 1.042 nan 8.230 nan 0.000 0.444 742 N N -3.277 115.494 118.700 0.118 0.000 3.522 742 N HA 0.079 4.825 4.740 0.009 0.000 0.328 742 N C -0.560 174.990 175.510 0.066 0.000 1.623 742 N CA -0.449 52.666 53.050 0.109 0.000 0.812 742 N CB 0.060 38.654 38.487 0.179 0.000 2.008 742 N HN -0.234 nan 8.380 nan 0.000 0.601 743 D N -0.756 119.655 120.400 0.019 0.000 2.378 743 D HA 0.007 4.652 4.640 0.009 0.000 0.227 743 D C 0.295 176.404 176.300 -0.318 0.000 1.012 743 D CA 1.163 55.071 54.000 -0.155 0.000 0.905 743 D CB -0.191 40.458 40.800 -0.251 0.000 0.895 743 D HN 0.453 nan 8.370 nan 0.000 0.532 744 H N -2.485 116.638 119.070 0.088 0.000 3.360 744 H HA 0.252 4.812 4.556 0.007 0.000 0.262 744 H C -0.533 174.458 175.328 -0.562 0.000 1.149 744 H CA -0.143 55.837 56.048 -0.114 0.000 1.181 744 H CB 0.631 30.337 29.762 -0.093 0.000 1.564 744 H HN -0.106 nan 8.280 nan 0.000 0.565 745 F N 1.020 120.960 119.950 -0.016 0.000 2.518 745 F HA 0.728 5.260 4.527 0.008 0.000 0.323 745 F C -0.234 175.502 175.800 -0.106 0.000 1.129 745 F CA -0.880 57.078 58.000 -0.070 0.000 0.920 745 F CB 1.863 40.855 39.000 -0.014 0.000 1.160 745 F HN 0.016 nan 8.300 nan 0.000 0.440 746 A N 2.856 125.660 122.820 -0.026 0.000 2.606 746 A HA 0.867 5.192 4.320 0.009 0.000 0.293 746 A C -2.465 175.105 177.584 -0.025 0.000 1.082 746 A CA -0.656 51.351 52.037 -0.050 0.000 0.685 746 A CB 1.910 20.829 19.000 -0.135 0.000 1.284 746 A HN 0.677 nan 8.150 nan 0.000 0.408 747 L N 0.645 121.863 121.223 -0.009 0.000 2.408 747 L HA 0.929 5.274 4.340 0.009 0.000 0.268 747 L C -0.270 176.623 176.870 0.039 0.000 0.986 747 L CA 0.023 54.886 54.840 0.037 0.000 0.820 747 L CB 1.747 43.844 42.059 0.063 0.000 1.303 747 L HN 1.551 nan 8.230 nan 0.000 0.411 748 A N 3.626 126.531 122.820 0.141 0.000 2.475 748 A HA 1.031 5.356 4.320 0.009 0.000 0.301 748 A C -1.394 176.425 177.584 0.392 0.000 1.059 748 A CA 0.025 52.183 52.037 0.201 0.000 0.710 748 A CB 1.728 20.828 19.000 0.166 0.000 1.288 748 A HN 1.372 nan 8.150 nan 0.000 0.408 749 A N 1.523 124.526 122.820 0.305 0.000 2.572 749 A HA 0.867 5.192 4.320 0.009 0.000 0.295 749 A C -0.906 176.886 177.584 0.347 0.000 1.072 749 A CA -0.263 51.981 52.037 0.345 0.000 0.691 749 A CB 1.530 20.654 19.000 0.207 0.000 1.291 749 A HN 1.763 nan 8.150 nan 0.000 0.404 750 M N 2.220 122.092 119.600 0.453 0.000 2.234 750 M HA 0.313 4.798 4.480 0.009 0.000 0.267 750 M C -2.033 174.505 176.300 0.396 0.000 1.022 750 M CA -0.458 55.077 55.300 0.392 0.000 0.993 750 M CB 1.568 34.435 32.600 0.445 0.000 1.836 750 M HN 0.653 nan 8.290 nan 0.000 0.479 751 D N 4.706 125.344 120.400 0.398 0.000 2.344 751 D HA 0.212 4.857 4.640 0.009 0.000 0.253 751 D C -1.068 175.408 176.300 0.293 0.000 1.255 751 D CA 0.495 54.695 54.000 0.334 0.000 0.894 751 D CB 0.237 41.226 40.800 0.316 0.000 1.067 751 D HN 0.395 nan 8.370 nan 0.000 0.492 752 F N 2.116 122.143 119.950 0.128 0.000 2.385 752 F HA 0.424 4.956 4.527 0.009 0.000 0.336 752 F C -0.065 175.804 175.800 0.114 0.000 1.100 752 F CA -0.286 57.784 58.000 0.116 0.000 1.116 752 F CB 1.260 40.354 39.000 0.156 0.000 1.166 752 F HN -0.007 nan 8.300 nan 0.000 0.511 753 T N 6.113 120.239 114.554 -0.714 0.000 3.031 753 T HA 0.225 4.581 4.350 0.009 0.000 0.305 753 T C -0.564 173.588 174.700 -0.913 0.000 0.985 753 T CA -0.922 60.781 62.100 -0.663 0.000 1.008 753 T CB 0.568 69.308 68.868 -0.213 0.000 1.005 753 T HN 0.820 nan 8.240 nan 0.000 0.444 754 N N 2.626 120.750 118.700 -0.961 0.000 2.260 754 N HA 0.027 4.772 4.740 0.009 0.000 0.230 754 N C 1.878 177.406 175.510 0.031 0.000 1.323 754 N CA -0.707 52.161 53.050 -0.303 0.000 0.897 754 N CB 0.734 39.237 38.487 0.028 0.000 1.146 754 N HN 0.775 nan 8.380 nan 0.000 0.460 755 W N 1.055 122.454 121.300 0.165 0.000 2.321 755 W HA -0.237 4.429 4.660 0.009 0.000 0.306 755 W C 0.505 177.073 176.519 0.082 0.000 1.217 755 W CA 1.873 59.313 57.345 0.159 0.000 1.257 755 W CB -1.197 28.401 29.460 0.229 0.000 1.145 755 W HN 0.720 nan 8.180 nan 0.000 0.509 756 D N -0.500 119.240 120.400 -1.101 0.000 2.328 756 D HA -0.013 4.632 4.640 0.009 0.000 0.221 756 D C 1.019 177.038 176.300 -0.470 0.000 1.072 756 D CA 0.131 53.535 54.000 -0.994 0.000 0.850 756 D CB -0.522 39.384 40.800 -1.490 0.000 0.922 756 D HN 0.323 nan 8.370 nan 0.000 0.516 757 R N -1.212 119.092 120.500 -0.326 0.000 3.875 757 R HA -0.165 4.180 4.340 0.009 0.000 0.321 757 R C 0.479 176.666 176.300 -0.188 0.000 1.196 757 R CA 1.338 57.312 56.100 -0.209 0.000 0.868 757 R CB -3.266 26.946 30.300 -0.145 0.000 1.333 757 R HN 0.495 nan 8.270 nan 0.000 0.522 758 T N -2.138 112.288 114.554 -0.214 0.000 3.145 758 T HA 0.462 4.817 4.350 0.009 0.000 0.255 758 T C 0.213 174.858 174.700 -0.092 0.000 1.039 758 T CA -0.150 61.864 62.100 -0.143 0.000 0.928 758 T CB 0.372 69.153 68.868 -0.146 0.000 1.029 758 T HN 0.218 nan 8.240 nan 0.000 0.554 759 L N 1.392 122.552 121.223 -0.105 0.000 2.543 759 L HA 0.706 5.052 4.340 0.009 0.000 0.265 759 L C -0.876 175.929 176.870 -0.109 0.000 0.945 759 L CA -0.086 54.726 54.840 -0.047 0.000 0.869 759 L CB 2.171 44.254 42.059 0.039 0.000 1.294 759 L HN 0.354 nan 8.230 nan 0.000 0.405 760 T N 1.808 116.339 114.554 -0.039 0.000 2.901 760 T HA 1.043 5.398 4.350 0.009 0.000 0.293 760 T C -0.570 174.185 174.700 0.092 0.000 1.084 760 T CA -0.263 61.814 62.100 -0.039 0.000 1.008 760 T CB 1.948 70.783 68.868 -0.056 0.000 1.170 760 T HN 1.577 nan 8.240 nan 0.000 0.509 761 A N 0.776 123.693 122.820 0.162 0.000 2.583 761 A HA 0.640 4.965 4.320 0.009 0.000 0.292 761 A C -1.640 176.028 177.584 0.140 0.000 1.045 761 A CA -0.964 51.162 52.037 0.148 0.000 0.672 761 A CB 1.244 20.380 19.000 0.226 0.000 1.283 761 A HN 0.789 nan 8.150 nan 0.000 0.419 762 Q N 1.212 121.024 119.800 0.020 0.000 2.431 762 Q HA 0.384 4.729 4.340 0.009 0.000 0.249 762 Q C -0.843 175.156 176.000 -0.003 0.000 1.025 762 Q CA -0.090 55.725 55.803 0.020 0.000 0.835 762 Q CB 1.315 29.941 28.738 -0.186 0.000 1.207 762 Q HN 0.524 nan 8.270 nan 0.000 0.490 763 K N 0.881 121.305 120.400 0.040 0.000 2.138 763 K HA 0.738 5.064 4.320 0.009 0.000 0.263 763 K C -0.167 176.201 176.600 -0.386 0.000 0.965 763 K CA -0.547 55.614 56.287 -0.210 0.000 0.868 763 K CB 1.662 34.074 32.500 -0.148 0.000 1.083 763 K HN 0.579 nan 8.250 nan 0.000 0.443 764 G N 1.475 109.845 108.800 -0.717 0.000 2.690 764 G HA2 0.582 4.548 3.960 0.009 0.000 0.293 764 G HA3 0.582 4.548 3.960 0.009 0.000 0.293 764 G C -1.797 172.667 174.900 -0.727 0.000 1.399 764 G CA -0.662 44.150 45.100 -0.479 0.000 0.890 764 G HN 0.451 nan 8.290 nan 0.000 0.485 765 W N 0.290 121.579 121.300 -0.019 0.000 3.032 765 W HA 0.562 5.228 4.660 0.010 0.000 0.335 765 W C -1.194 175.234 176.519 -0.151 0.000 1.154 765 W CA -0.801 56.445 57.345 -0.165 0.000 1.204 765 W CB 2.549 31.907 29.460 -0.169 0.000 1.416 765 W HN 0.378 nan 8.180 nan 0.000 0.521 766 V N 3.710 123.610 119.914 -0.024 0.000 2.525 766 V HA 0.381 4.506 4.120 0.009 0.000 0.299 766 V C -0.279 175.719 176.094 -0.160 0.000 1.034 766 V CA -0.774 61.499 62.300 -0.045 0.000 0.863 766 V CB 2.069 33.882 31.823 -0.017 0.000 0.999 766 V HN 0.392 nan 8.190 nan 0.000 0.423 767 I N 5.707 126.156 120.570 -0.201 0.000 2.301 767 I HA 0.322 4.498 4.170 0.009 0.000 0.292 767 I C -0.153 175.748 176.117 -0.360 0.000 1.046 767 I CA -0.123 60.952 61.300 -0.375 0.000 1.282 767 I CB 1.017 38.679 38.000 -0.563 0.000 1.409 767 I HN 0.477 nan 8.210 nan 0.000 0.484 768 L N 7.303 128.328 121.223 -0.330 0.000 2.843 768 L HA 0.266 4.611 4.340 0.009 0.000 0.234 768 L C 0.748 177.307 176.870 -0.519 0.000 1.264 768 L CA -0.074 54.556 54.840 -0.350 0.000 1.052 768 L CB -0.460 41.562 42.059 -0.062 0.000 1.372 768 L HN 0.776 nan 8.230 nan 0.000 0.466 769 N N 2.183 120.377 118.700 -0.843 0.000 3.489 769 N HA -0.324 4.421 4.740 0.009 0.000 0.206 769 N C 0.789 176.285 175.510 -0.024 0.000 0.368 769 N CA 2.532 55.314 53.050 -0.447 0.000 2.164 769 N CB -0.705 37.541 38.487 -0.403 0.000 1.440 769 N HN 0.652 nan 8.380 nan 0.000 0.372 770 D N 0.835 121.247 120.400 0.020 0.000 2.363 770 D HA 0.242 4.887 4.640 0.009 0.000 0.214 770 D C -0.395 175.966 176.300 0.102 0.000 1.093 770 D CA 0.355 54.475 54.000 0.200 0.000 0.837 770 D CB -0.009 40.876 40.800 0.142 0.000 0.948 770 D HN 0.588 nan 8.370 nan 0.000 0.507 771 K N 0.469 120.866 120.400 -0.005 0.000 2.468 771 K HA 0.498 4.823 4.320 0.009 0.000 0.252 771 K C -0.844 175.669 176.600 -0.144 0.000 0.932 771 K CA -0.697 55.548 56.287 -0.070 0.000 0.794 771 K CB 2.774 35.244 32.500 -0.050 0.000 1.241 771 K HN -0.101 nan 8.250 nan 0.000 0.428 772 I N 2.806 123.261 120.570 -0.191 0.000 2.406 772 I HA 0.317 4.493 4.170 0.009 0.000 0.290 772 I C -0.234 175.721 176.117 -0.270 0.000 0.999 772 I CA -1.063 60.026 61.300 -0.350 0.000 1.124 772 I CB 1.584 39.211 38.000 -0.623 0.000 1.289 772 I HN 0.290 nan 8.210 nan 0.000 0.441 773 V N 6.614 126.359 119.914 -0.283 0.000 2.439 773 V HA 0.391 4.516 4.120 0.009 0.000 0.282 773 V C -0.504 175.358 176.094 -0.385 0.000 1.039 773 V CA -0.393 61.820 62.300 -0.145 0.000 0.913 773 V CB 1.414 33.252 31.823 0.024 0.000 0.983 773 V HN 0.366 nan 8.190 nan 0.000 0.460 774 F N 5.283 125.015 119.950 -0.362 0.000 2.449 774 F HA 0.653 5.186 4.527 0.009 0.000 0.342 774 F C -0.320 175.346 175.800 -0.224 0.000 1.127 774 F CA -0.696 57.028 58.000 -0.459 0.000 0.975 774 F CB 1.488 39.928 39.000 -0.933 0.000 1.146 774 F HN 0.170 nan 8.300 nan 0.000 0.444 775 L N 2.387 123.513 121.223 -0.162 0.000 2.362 775 L HA 0.879 5.225 4.340 0.009 0.000 0.271 775 L C -0.015 176.435 176.870 -0.700 0.000 1.002 775 L CA -0.906 53.775 54.840 -0.265 0.000 0.818 775 L CB 1.998 43.946 42.059 -0.185 0.000 1.298 775 L HN 0.660 nan 8.230 nan 0.000 0.420 776 G N 0.585 108.745 108.800 -1.067 0.000 2.741 776 G HA2 0.631 4.597 3.960 0.009 0.000 0.293 776 G HA3 0.631 4.597 3.960 0.009 0.000 0.293 776 G C -1.356 173.214 174.900 -0.549 0.000 1.457 776 G CA -0.232 44.148 45.100 -1.201 0.000 1.098 776 G HN 0.686 nan 8.290 nan 0.000 0.536 777 S N 0.907 116.426 115.700 -0.301 0.000 2.588 777 S HA 0.595 5.070 4.470 0.009 0.000 0.275 777 S C 0.275 174.791 174.600 -0.140 0.000 1.130 777 S CA -0.598 57.498 58.200 -0.174 0.000 0.855 777 S CB 1.612 64.739 63.200 -0.122 0.000 1.116 777 S HN 0.926 nan 8.310 nan 0.000 0.472 778 N N -0.043 118.595 118.700 -0.103 0.000 2.735 778 N HA -0.129 4.616 4.740 0.009 0.000 0.248 778 N C -0.826 174.649 175.510 -0.058 0.000 1.083 778 N CA 0.531 53.531 53.050 -0.084 0.000 0.703 778 N CB -1.132 37.284 38.487 -0.119 0.000 1.005 778 N HN 0.697 nan 8.380 nan 0.000 0.550 779 I N 1.700 122.232 120.570 -0.063 0.000 2.505 779 I HA 0.020 4.195 4.170 0.009 0.000 0.287 779 I C 0.658 176.772 176.117 -0.005 0.000 1.104 779 I CA 0.587 61.861 61.300 -0.043 0.000 1.387 779 I CB 0.412 38.315 38.000 -0.161 0.000 1.404 779 I HN 0.065 nan 8.210 nan 0.000 0.528 780 K N 5.433 125.842 120.400 0.014 0.000 2.464 780 K HA 0.351 4.677 4.320 0.009 0.000 0.253 780 K C -1.123 175.489 176.600 0.020 0.000 0.933 780 K CA -0.897 55.399 56.287 0.015 0.000 0.801 780 K CB 1.850 34.348 32.500 -0.003 0.000 1.271 780 K HN 0.275 nan 8.250 nan 0.000 0.430 781 N N 2.727 121.441 118.700 0.024 0.000 2.521 781 N HA -0.010 4.735 4.740 0.009 0.000 0.236 781 N C 0.711 176.219 175.510 -0.003 0.000 1.067 781 N CA 0.090 53.150 53.050 0.017 0.000 0.939 781 N CB 1.222 39.726 38.487 0.028 0.000 1.201 781 N HN 0.814 nan 8.380 nan 0.000 0.511 782 T N 0.161 114.703 114.554 -0.020 0.000 2.918 782 T HA -0.208 4.148 4.350 0.009 0.000 0.271 782 T C 0.787 175.471 174.700 -0.027 0.000 1.104 782 T CA 1.381 63.463 62.100 -0.030 0.000 1.114 782 T CB -0.173 68.666 68.868 -0.048 0.000 0.855 782 T HN 0.596 nan 8.240 nan 0.000 0.518 783 N N -0.399 118.286 118.700 -0.025 0.000 2.307 783 N HA 0.275 5.020 4.740 0.009 0.000 0.248 783 N C 1.287 176.789 175.510 -0.012 0.000 1.322 783 N CA 0.122 53.158 53.050 -0.022 0.000 0.861 783 N CB -0.118 38.349 38.487 -0.033 0.000 1.303 783 N HN 0.425 nan 8.380 nan 0.000 0.498 784 G N 0.561 109.358 108.800 -0.004 0.000 2.249 784 G HA2 -0.339 3.627 3.960 0.009 0.000 0.269 784 G HA3 -0.339 3.627 3.960 0.009 0.000 0.269 784 G C -0.073 174.829 174.900 0.005 0.000 0.979 784 G CA 1.004 46.105 45.100 0.003 0.000 0.644 784 G HN 0.484 nan 8.290 nan 0.000 0.546 785 I N 1.209 121.779 120.570 0.000 0.000 2.342 785 I HA 0.575 4.751 4.170 0.009 0.000 0.291 785 I C 0.980 177.105 176.117 0.013 0.000 1.010 785 I CA 0.603 61.904 61.300 0.003 0.000 1.308 785 I CB 1.230 39.228 38.000 -0.004 0.000 1.400 785 I HN 0.794 nan 8.210 nan 0.000 0.488 786 G N 4.698 113.509 108.800 0.019 0.000 2.612 786 G HA2 -0.175 3.790 3.960 0.009 0.000 0.686 786 G HA3 -0.175 3.790 3.960 0.009 0.000 0.686 786 G C -1.141 173.779 174.900 0.033 0.000 1.274 786 G CA -0.953 44.165 45.100 0.030 0.000 0.849 786 G HN 0.679 nan 8.290 nan 0.000 0.595 787 N N -0.419 118.302 118.700 0.036 0.000 2.476 787 N HA 0.502 5.247 4.740 0.009 0.000 0.257 787 N C -0.058 175.488 175.510 0.060 0.000 0.970 787 N CA -0.715 52.356 53.050 0.036 0.000 0.938 787 N CB 2.004 40.498 38.487 0.012 0.000 1.144 787 N HN 0.481 nan 8.380 nan 0.000 0.500 788 V N 1.813 121.779 119.914 0.087 0.000 2.509 788 V HA 0.538 4.664 4.120 0.009 0.000 0.284 788 V C 0.286 176.475 176.094 0.158 0.000 1.047 788 V CA -0.229 62.154 62.300 0.139 0.000 0.952 788 V CB 1.085 33.013 31.823 0.176 0.000 0.988 788 V HN 0.746 nan 8.190 nan 0.000 0.469 789 S N 3.076 118.882 115.700 0.177 0.000 2.550 789 S HA 0.602 5.077 4.470 0.009 0.000 0.270 789 S C -0.829 173.873 174.600 0.170 0.000 1.145 789 S CA -0.610 57.654 58.200 0.106 0.000 0.852 789 S CB 2.403 65.595 63.200 -0.014 0.000 1.119 789 S HN 0.598 nan 8.310 nan 0.000 0.465 790 T N 2.821 117.438 114.554 0.105 0.000 2.779 790 T HA 0.540 4.896 4.350 0.009 0.000 0.280 790 T C -0.654 174.014 174.700 -0.054 0.000 0.987 790 T CA -0.294 61.856 62.100 0.083 0.000 0.966 790 T CB 1.328 70.269 68.868 0.122 0.000 0.933 790 T HN 0.701 nan 8.240 nan 0.000 0.442 791 T N 5.361 119.901 114.554 -0.024 0.000 2.723 791 T HA 0.160 4.515 4.350 0.009 0.000 0.297 791 T C 1.614 176.286 174.700 -0.047 0.000 0.925 791 T CA -0.626 61.452 62.100 -0.037 0.000 1.030 791 T CB 0.142 69.016 68.868 0.011 0.000 0.905 791 T HN 0.370 nan 8.240 nan 0.000 0.502 792 I N 1.677 122.141 120.570 -0.176 0.000 2.315 792 I HA 0.046 4.221 4.170 0.009 0.000 0.248 792 I C 1.023 177.102 176.117 -0.065 0.000 1.117 792 I CA 1.283 62.396 61.300 -0.311 0.000 1.404 792 I CB -0.498 37.151 38.000 -0.584 0.000 1.071 792 I HN 0.603 nan 8.210 nan 0.000 0.419 793 D N -1.181 119.197 120.400 -0.037 0.000 2.728 793 D HA 0.194 4.839 4.640 0.009 0.000 0.249 793 D C -1.152 175.170 176.300 0.036 0.000 1.225 793 D CA -0.384 53.675 54.000 0.099 0.000 0.748 793 D CB 1.331 42.206 40.800 0.124 0.000 1.326 793 D HN -0.011 nan 8.370 nan 0.000 0.426 794 Q N 2.223 122.073 119.800 0.083 0.000 3.412 794 Q HA 0.306 4.651 4.340 0.009 0.000 0.219 794 Q C -1.307 174.880 176.000 0.311 0.000 0.913 794 Q CA -0.576 55.309 55.803 0.136 0.000 0.722 794 Q CB 0.979 29.736 28.738 0.031 0.000 1.385 794 Q HN 0.223 nan 8.270 nan 0.000 0.461 795 R N 1.928 122.600 120.500 0.287 0.000 2.229 795 R HA 0.254 4.599 4.340 0.009 0.000 0.328 795 R C -0.729 175.734 176.300 0.271 0.000 1.009 795 R CA -0.282 56.013 56.100 0.325 0.000 0.864 795 R CB 0.854 31.250 30.300 0.160 0.000 1.085 795 R HN 0.207 nan 8.270 nan 0.000 0.453 796 K N 2.961 123.440 120.400 0.131 0.000 2.416 796 K HA -0.026 4.300 4.320 0.009 0.000 0.283 796 K C -0.453 176.015 176.600 -0.219 0.000 1.037 796 K CA -0.091 55.812 56.287 -0.640 0.000 0.995 796 K CB 0.471 32.386 32.500 -0.976 0.000 0.938 796 K HN 0.531 nan 8.250 nan 0.000 0.475 797 D N 2.196 122.459 120.400 -0.228 0.000 2.344 797 D HA 0.034 4.679 4.640 0.009 0.000 0.244 797 D C -0.943 175.237 176.300 -0.200 0.000 1.134 797 D CA -0.100 53.830 54.000 -0.116 0.000 0.930 797 D CB 1.085 41.862 40.800 -0.039 0.000 1.175 797 D HN 0.502 nan 8.370 nan 0.000 0.437 798 D N 0.268 120.530 120.400 -0.231 0.000 2.472 798 D HA 0.092 4.737 4.640 0.009 0.000 0.234 798 D C 0.811 177.024 176.300 -0.146 0.000 1.088 798 D CA -0.377 53.504 54.000 -0.197 0.000 0.882 798 D CB 0.613 41.272 40.800 -0.236 0.000 1.037 798 D HN 0.230 nan 8.370 nan 0.000 0.520 799 S N 3.459 119.097 115.700 -0.103 0.000 2.423 799 S HA -0.227 4.248 4.470 0.009 0.000 0.238 799 S C 1.690 176.254 174.600 -0.060 0.000 1.028 799 S CA 0.730 58.889 58.200 -0.069 0.000 1.000 799 S CB -0.011 63.160 63.200 -0.048 0.000 0.797 799 S HN 0.438 nan 8.310 nan 0.000 0.487 800 K N 1.085 121.446 120.400 -0.065 0.000 2.097 800 K HA 0.004 4.329 4.320 0.009 0.000 0.205 800 K C 0.143 176.708 176.600 -0.059 0.000 1.050 800 K CA 1.200 57.456 56.287 -0.051 0.000 0.938 800 K CB -0.163 32.310 32.500 -0.045 0.000 0.718 800 K HN 0.426 nan 8.250 nan 0.000 0.442 801 T N 2.459 116.958 114.554 -0.092 0.000 3.446 801 T HA 0.177 4.533 4.350 0.009 0.000 0.289 801 T C -2.726 171.883 174.700 -0.151 0.000 1.203 801 T CA -1.197 60.843 62.100 -0.099 0.000 1.645 801 T CB 1.699 70.505 68.868 -0.103 0.000 0.841 801 T HN -0.012 nan 8.240 nan 0.000 0.617 802 P HA 0.027 nan 4.420 nan 0.000 0.269 802 P C -0.492 176.766 177.300 -0.071 0.000 1.211 802 P CA -0.237 62.803 63.100 -0.100 0.000 0.781 802 P CB 0.678 32.357 31.700 -0.034 0.000 0.877 803 Y N -0.101 120.176 120.300 -0.038 0.000 2.314 803 Y HA 0.221 4.776 4.550 0.009 0.000 0.334 803 Y C 1.222 177.110 175.900 -0.019 0.000 1.266 803 Y CA 0.482 58.560 58.100 -0.036 0.000 1.391 803 Y CB 0.489 38.916 38.460 -0.055 0.000 1.306 803 Y HN 0.176 nan 8.280 nan 0.000 0.558 804 T N 2.378 117.072 114.554 0.233 0.000 2.791 804 T HA 0.329 4.685 4.350 0.009 0.000 0.288 804 T C -0.464 174.276 174.700 0.067 0.000 0.999 804 T CA -0.735 61.422 62.100 0.095 0.000 0.952 804 T CB 0.535 69.488 68.868 0.142 0.000 0.938 804 T HN 0.487 nan 8.240 nan 0.000 0.444 805 T N 3.728 118.235 114.554 -0.077 0.000 2.875 805 T HA 0.569 4.924 4.350 0.009 0.000 0.284 805 T C -0.979 173.599 174.700 -0.203 0.000 0.995 805 T CA -0.341 61.725 62.100 -0.058 0.000 1.060 805 T CB 0.432 69.258 68.868 -0.069 0.000 0.967 805 T HN 0.388 nan 8.240 nan 0.000 0.476 806 Y N 0.453 120.762 120.300 0.015 0.000 2.499 806 Y HA 0.636 5.192 4.550 0.009 0.000 0.347 806 Y C -0.339 175.533 175.900 -0.048 0.000 0.987 806 Y CA -1.120 56.993 58.100 0.021 0.000 1.044 806 Y CB 1.825 40.359 38.460 0.123 0.000 1.245 806 Y HN 0.297 nan 8.280 nan 0.000 0.461 807 V N 2.040 121.963 119.914 0.015 0.000 2.623 807 V HA 0.277 4.402 4.120 0.009 0.000 0.304 807 V C -0.239 175.845 176.094 -0.015 0.000 1.054 807 V CA -1.527 60.690 62.300 -0.138 0.000 0.882 807 V CB 1.474 32.917 31.823 -0.633 0.000 1.002 807 V HN 0.987 nan 8.190 nan 0.000 0.424 808 N N 3.416 122.146 118.700 0.051 0.000 2.721 808 N HA -0.259 4.486 4.740 0.009 0.000 0.249 808 N C 1.148 176.705 175.510 0.078 0.000 1.072 808 N CA 0.643 53.730 53.050 0.061 0.000 0.710 808 N CB -0.634 37.871 38.487 0.030 0.000 0.993 808 N HN 1.471 nan 8.380 nan 0.000 0.547 809 G N -0.923 107.954 108.800 0.129 0.000 2.225 809 G HA2 -0.340 3.625 3.960 0.009 0.000 0.254 809 G HA3 -0.340 3.625 3.960 0.009 0.000 0.254 809 G C 0.078 175.113 174.900 0.225 0.000 0.988 809 G CA 0.936 46.107 45.100 0.118 0.000 0.625 809 G HN 0.414 nan 8.290 nan 0.000 0.527 810 K N 1.445 121.975 120.400 0.216 0.000 2.259 810 K HA 0.618 4.943 4.320 0.009 0.000 0.249 810 K C 0.704 177.357 176.600 0.089 0.000 0.942 810 K CA 0.062 56.468 56.287 0.199 0.000 0.816 810 K CB 1.396 33.951 32.500 0.091 0.000 1.155 810 K HN 0.240 nan 8.250 nan 0.000 0.428 811 T N 0.661 115.151 114.554 -0.106 0.000 2.855 811 T HA 0.341 4.697 4.350 0.009 0.000 0.314 811 T C 0.556 175.150 174.700 -0.177 0.000 1.077 811 T CA -0.528 61.322 62.100 -0.415 0.000 1.095 811 T CB -0.042 68.551 68.868 -0.458 0.000 0.987 811 T HN 0.537 nan 8.240 nan 0.000 0.546 812 I N -2.013 118.454 120.570 -0.171 0.000 2.730 812 I HA 0.598 4.773 4.170 0.009 0.000 0.298 812 I C -1.233 174.869 176.117 -0.025 0.000 1.089 812 I CA -1.167 60.115 61.300 -0.030 0.000 1.041 812 I CB 2.393 40.410 38.000 0.028 0.000 1.235 812 I HN 0.330 nan 8.210 nan 0.000 0.423 813 D N 4.536 124.948 120.400 0.021 0.000 2.485 813 D HA 0.289 4.935 4.640 0.009 0.000 0.221 813 D C 0.223 176.539 176.300 0.026 0.000 1.112 813 D CA -0.211 53.793 54.000 0.008 0.000 0.911 813 D CB 1.343 42.145 40.800 0.004 0.000 1.019 813 D HN 0.530 nan 8.370 nan 0.000 0.516 814 L N 2.889 124.127 121.223 0.025 0.000 2.591 814 L HA 0.108 4.453 4.340 0.009 0.000 0.228 814 L C 0.991 177.870 176.870 0.016 0.000 1.133 814 L CA 0.407 55.266 54.840 0.031 0.000 0.880 814 L CB -0.961 41.121 42.059 0.037 0.000 1.033 814 L HN 0.342 nan 8.230 nan 0.000 0.450 815 K N -1.321 119.083 120.400 0.008 0.000 2.004 815 K HA -0.365 3.960 4.320 0.009 0.000 0.330 815 K C 1.284 177.888 176.600 0.006 0.000 1.691 815 K CA 1.869 58.159 56.287 0.004 0.000 0.727 815 K CB -0.991 31.510 32.500 0.001 0.000 0.956 815 K HN 0.232 nan 8.250 nan 0.000 0.826 816 Q N 0.119 119.921 119.800 0.004 0.000 2.163 816 Q HA 0.210 4.555 4.340 0.009 0.000 0.198 816 Q C -0.467 175.538 176.000 0.009 0.000 0.954 816 Q CA 1.137 56.943 55.803 0.005 0.000 0.851 816 Q CB 0.449 29.188 28.738 0.002 0.000 0.928 816 Q HN 0.482 nan 8.270 nan 0.000 0.459 817 A N 0.505 123.329 122.820 0.006 0.000 2.408 817 A HA 0.622 4.947 4.320 0.009 0.000 0.295 817 A C -0.986 176.599 177.584 0.001 0.000 1.040 817 A CA -0.052 51.988 52.037 0.006 0.000 0.707 817 A CB 1.909 20.910 19.000 0.003 0.000 1.235 817 A HN 0.217 nan 8.150 nan 0.000 0.418 818 S N 0.978 116.679 115.700 0.002 0.000 2.633 818 S HA 0.698 5.173 4.470 0.009 0.000 0.271 818 S C -1.372 173.224 174.600 -0.006 0.000 1.112 818 S CA 0.240 58.436 58.200 -0.006 0.000 0.828 818 S CB 1.057 64.255 63.200 -0.004 0.000 1.086 818 S HN 2.027 nan 8.310 nan 0.000 0.461 819 S N 1.292 116.978 115.700 -0.024 0.000 2.776 819 S HA 0.580 5.055 4.470 0.009 0.000 0.284 819 S C -1.416 173.143 174.600 -0.069 0.000 1.160 819 S CA -0.464 57.717 58.200 -0.032 0.000 1.051 819 S CB 0.806 63.982 63.200 -0.040 0.000 1.037 819 S HN 0.704 nan 8.310 nan 0.000 0.485 820 Q N 2.549 122.303 119.800 -0.078 0.000 2.387 820 Q HA 0.517 4.862 4.340 0.009 0.000 0.273 820 Q C -1.044 174.771 176.000 -0.309 0.000 1.089 820 Q CA -0.959 54.705 55.803 -0.233 0.000 0.824 820 Q CB 2.263 30.811 28.738 -0.317 0.000 1.367 820 Q HN 0.674 nan 8.270 nan 0.000 0.443 821 Q N 1.349 120.865 119.800 -0.474 0.000 2.306 821 Q HA 0.538 4.883 4.340 0.009 0.000 0.265 821 Q C -1.707 173.911 176.000 -0.636 0.000 1.022 821 Q CA -0.584 55.002 55.803 -0.362 0.000 0.853 821 Q CB 1.111 29.720 28.738 -0.216 0.000 1.327 821 Q HN 0.598 nan 8.270 nan 0.000 0.449 822 F N 1.394 121.286 119.950 -0.096 0.000 2.553 822 F HA 0.252 4.785 4.527 0.009 0.000 0.335 822 F C 0.259 175.993 175.800 -0.109 0.000 1.148 822 F CA -0.692 57.254 58.000 -0.090 0.000 0.963 822 F CB 2.039 40.987 39.000 -0.088 0.000 1.217 822 F HN 0.449 nan 8.300 nan 0.000 0.441 823 T N -1.466 113.119 114.554 0.051 0.000 2.874 823 T HA 0.256 4.611 4.350 0.009 0.000 0.281 823 T C -0.013 174.697 174.700 0.016 0.000 0.994 823 T CA -0.664 61.438 62.100 0.003 0.000 1.015 823 T CB 0.980 69.840 68.868 -0.014 0.000 1.028 823 T HN 0.629 nan 8.240 nan 0.000 0.523 824 D N 0.085 120.478 120.400 -0.012 0.000 2.689 824 D HA -0.129 4.517 4.640 0.009 0.000 0.237 824 D C -0.469 175.822 176.300 -0.015 0.000 1.148 824 D CA 0.817 54.814 54.000 -0.005 0.000 0.656 824 D CB -1.586 39.224 40.800 0.016 0.000 1.050 824 D HN 0.682 nan 8.370 nan 0.000 0.426 825 T N 0.015 114.520 114.554 -0.082 0.000 2.794 825 T HA 0.216 4.572 4.350 0.009 0.000 0.296 825 T C 1.623 176.282 174.700 -0.068 0.000 0.949 825 T CA -0.182 61.847 62.100 -0.119 0.000 1.101 825 T CB 1.362 70.058 68.868 -0.287 0.000 0.905 825 T HN 0.143 nan 8.240 nan 0.000 0.516 826 K N 1.637 122.070 120.400 0.056 0.000 2.287 826 K HA 0.228 4.553 4.320 0.009 0.000 0.199 826 K C 0.727 177.508 176.600 0.303 0.000 1.061 826 K CA -0.120 56.258 56.287 0.152 0.000 0.976 826 K CB 0.457 33.005 32.500 0.080 0.000 0.898 826 K HN 0.551 nan 8.250 nan 0.000 0.492 827 S N -0.229 115.644 115.700 0.288 0.000 2.547 827 S HA 0.569 5.045 4.470 0.009 0.000 0.270 827 S C -1.126 173.714 174.600 0.399 0.000 1.150 827 S CA -0.970 57.483 58.200 0.422 0.000 0.850 827 S CB 1.970 65.365 63.200 0.323 0.000 1.118 827 S HN -0.140 nan 8.310 nan 0.000 0.461 828 V N 2.429 122.645 119.914 0.503 0.000 2.709 828 V HA 0.751 4.876 4.120 0.009 0.000 0.308 828 V C -1.469 174.841 176.094 0.361 0.000 1.062 828 V CA -0.573 61.930 62.300 0.339 0.000 0.901 828 V CB 1.608 33.565 31.823 0.222 0.000 1.003 828 V HN 0.915 nan 8.190 nan 0.000 0.425 829 F N 4.999 124.974 119.950 0.042 0.000 2.557 829 F HA 0.670 5.202 4.527 0.008 0.000 0.316 829 F C -0.903 174.853 175.800 -0.072 0.000 1.141 829 F CA -0.660 57.219 58.000 -0.201 0.000 0.922 829 F CB 1.521 40.307 39.000 -0.356 0.000 1.194 829 F HN 0.298 nan 8.300 nan 0.000 0.443 830 L N 5.710 126.448 121.223 -0.808 0.000 2.265 830 L HA 0.477 4.822 4.340 0.009 0.000 0.289 830 L C -0.475 175.894 176.870 -0.835 0.000 1.033 830 L CA -0.439 53.941 54.840 -0.767 0.000 0.814 830 L CB 1.506 42.870 42.059 -1.159 0.000 1.203 830 L HN 0.619 nan 8.230 nan 0.000 0.423 831 E N 3.058 123.164 120.200 -0.157 0.000 2.222 831 E HA 0.499 4.854 4.350 0.009 0.000 0.267 831 E C -1.471 175.313 176.600 0.307 0.000 0.884 831 E CA -0.382 56.069 56.400 0.085 0.000 0.764 831 E CB 2.323 32.247 29.700 0.373 0.000 1.169 831 E HN 0.480 nan 8.360 nan 0.000 0.413 832 S N 2.956 118.777 115.700 0.201 0.000 2.568 832 S HA 0.314 4.790 4.470 0.009 0.000 0.293 832 S C 0.530 175.154 174.600 0.039 0.000 1.089 832 S CA -0.708 57.526 58.200 0.056 0.000 0.945 832 S CB 1.404 64.503 63.200 -0.168 0.000 1.077 832 S HN 0.533 nan 8.310 nan 0.000 0.485 833 K N 1.215 121.623 120.400 0.012 0.000 2.283 833 K HA 0.128 4.453 4.320 0.009 0.000 0.202 833 K C 0.089 176.690 176.600 0.001 0.000 1.048 833 K CA 0.574 56.872 56.287 0.018 0.000 0.948 833 K CB -0.137 32.370 32.500 0.010 0.000 0.742 833 K HN 0.528 nan 8.250 nan 0.000 0.458 834 E N 2.076 122.258 120.200 -0.029 0.000 2.259 834 E HA 0.158 4.514 4.350 0.009 0.000 0.281 834 E C -2.372 174.220 176.600 -0.013 0.000 1.037 834 E CA -2.440 53.941 56.400 -0.032 0.000 0.854 834 E CB 0.869 30.526 29.700 -0.071 0.000 1.051 834 E HN -0.022 nan 8.360 nan 0.000 0.409 835 P HA 0.060 nan 4.420 nan 0.000 0.269 835 P C 0.399 177.713 177.300 0.023 0.000 1.215 835 P CA 0.270 63.384 63.100 0.022 0.000 0.780 835 P CB 0.518 32.236 31.700 0.029 0.000 0.898 836 G N 1.349 110.170 108.800 0.036 0.000 2.221 836 G HA2 -0.302 3.663 3.960 0.009 0.000 0.265 836 G HA3 -0.302 3.663 3.960 0.009 0.000 0.265 836 G C 0.836 175.752 174.900 0.026 0.000 1.041 836 G CA 0.337 45.465 45.100 0.046 0.000 0.807 836 G HN 0.544 nan 8.290 nan 0.000 0.502 837 R N -0.849 119.657 120.500 0.010 0.000 2.513 837 R HA 0.184 4.530 4.340 0.009 0.000 0.245 837 R C 0.808 177.150 176.300 0.070 0.000 0.908 837 R CA -0.054 56.055 56.100 0.015 0.000 1.023 837 R CB 0.080 30.342 30.300 -0.064 0.000 1.338 837 R HN 0.330 nan 8.270 nan 0.000 0.575 838 N N 0.935 119.624 118.700 -0.018 0.000 2.407 838 N HA 0.091 4.836 4.740 0.009 0.000 0.250 838 N C -0.635 174.638 175.510 -0.393 0.000 1.236 838 N CA 0.780 53.697 53.050 -0.222 0.000 0.879 838 N CB 0.512 38.899 38.487 -0.166 0.000 1.088 838 N HN 0.127 nan 8.380 nan 0.000 0.450 839 I N 0.080 120.217 120.570 -0.722 0.000 2.571 839 I HA 0.460 4.635 4.170 0.009 0.000 0.289 839 I C 0.342 175.805 176.117 -1.090 0.000 1.115 839 I CA -0.886 59.961 61.300 -0.754 0.000 1.045 839 I CB 2.263 39.908 38.000 -0.592 0.000 1.238 839 I HN 0.402 nan 8.210 nan 0.000 0.424 840 G N 4.757 112.959 108.800 -0.997 0.000 2.524 840 G HA2 0.760 4.725 3.960 0.009 0.000 0.310 840 G HA3 0.760 4.725 3.960 0.009 0.000 0.310 840 G C -1.877 172.592 174.900 -0.719 0.000 1.279 840 G CA -0.388 44.128 45.100 -0.972 0.000 0.974 840 G HN 0.397 nan 8.290 nan 0.000 0.484 841 Y N 0.280 120.597 120.300 0.028 0.000 2.391 841 Y HA 0.607 5.162 4.550 0.010 0.000 0.341 841 Y C -0.021 175.888 175.900 0.015 0.000 0.965 841 Y CA -1.147 56.934 58.100 -0.033 0.000 1.067 841 Y CB 2.060 40.366 38.460 -0.256 0.000 1.199 841 Y HN 0.326 nan 8.280 nan 0.000 0.450 842 I N 4.049 124.582 120.570 -0.061 0.000 2.406 842 I HA 0.391 4.566 4.170 0.009 0.000 0.290 842 I C -1.191 174.659 176.117 -0.446 0.000 0.999 842 I CA -0.640 60.562 61.300 -0.164 0.000 1.124 842 I CB 1.138 38.993 38.000 -0.242 0.000 1.289 842 I HN 0.387 nan 8.210 nan 0.000 0.441 843 F N 5.270 125.188 119.950 -0.052 0.000 2.415 843 F HA 0.352 4.885 4.527 0.009 0.000 0.348 843 F C 0.742 176.506 175.800 -0.060 0.000 1.119 843 F CA -0.522 57.467 58.000 -0.019 0.000 1.069 843 F CB 0.629 39.666 39.000 0.062 0.000 1.124 843 F HN 0.351 nan 8.300 nan 0.000 0.472 844 F N 0.867 120.972 119.950 0.258 0.000 2.202 844 F HA -0.099 4.433 4.527 0.008 0.000 0.301 844 F C 1.140 177.038 175.800 0.163 0.000 1.082 844 F CA 1.172 59.273 58.000 0.168 0.000 1.313 844 F CB -0.339 38.741 39.000 0.134 0.000 1.024 844 F HN 0.147 nan 8.300 nan 0.000 0.495 845 K N 0.038 120.656 120.400 0.362 0.000 2.385 845 K HA 0.239 4.565 4.320 0.009 0.000 0.248 845 K C -0.854 175.861 176.600 0.192 0.000 0.955 845 K CA -0.910 55.521 56.287 0.241 0.000 0.816 845 K CB 1.382 34.011 32.500 0.216 0.000 1.250 845 K HN -0.091 nan 8.250 nan 0.000 0.434 846 N N 0.545 119.315 118.700 0.116 0.000 2.412 846 N HA 0.024 4.769 4.740 0.009 0.000 0.258 846 N C -0.799 174.719 175.510 0.013 0.000 1.236 846 N CA 0.721 53.804 53.050 0.054 0.000 0.882 846 N CB 0.461 38.972 38.487 0.040 0.000 1.066 846 N HN 0.333 nan 8.380 nan 0.000 0.465 847 S N 0.428 116.068 115.700 -0.100 0.000 2.595 847 S HA 0.367 4.842 4.470 0.009 0.000 0.281 847 S C -0.753 173.718 174.600 -0.216 0.000 1.117 847 S CA -0.794 57.303 58.200 -0.170 0.000 0.873 847 S CB 2.002 65.018 63.200 -0.306 0.000 1.108 847 S HN 0.370 nan 8.310 nan 0.000 0.477 848 T N 3.044 117.501 114.554 -0.161 0.000 2.738 848 T HA 0.444 4.800 4.350 0.009 0.000 0.298 848 T C -0.413 174.180 174.700 -0.179 0.000 0.962 848 T CA -0.301 61.721 62.100 -0.129 0.000 0.972 848 T CB -0.212 68.604 68.868 -0.087 0.000 0.928 848 T HN 0.275 nan 8.240 nan 0.000 0.474 849 I N 3.093 123.563 120.570 -0.167 0.000 2.441 849 I HA 0.409 4.584 4.170 0.009 0.000 0.295 849 I C 0.179 176.283 176.117 -0.021 0.000 0.994 849 I CA -1.005 60.191 61.300 -0.173 0.000 1.144 849 I CB 1.824 39.643 38.000 -0.302 0.000 1.314 849 I HN 0.501 nan 8.210 nan 0.000 0.445 850 D N 6.484 126.849 120.400 -0.058 0.000 2.163 850 D HA 0.615 5.261 4.640 0.009 0.000 0.248 850 D C -0.343 175.960 176.300 0.005 0.000 1.035 850 D CA -0.100 53.887 54.000 -0.022 0.000 0.872 850 D CB 2.746 43.507 40.800 -0.066 0.000 1.183 850 D HN 0.279 nan 8.370 nan 0.000 0.445 851 I N 1.572 122.181 120.570 0.066 0.000 2.548 851 I HA 0.165 4.340 4.170 0.009 0.000 0.287 851 I C -0.409 175.738 176.117 0.049 0.000 1.103 851 I CA -0.650 60.684 61.300 0.055 0.000 1.049 851 I CB 1.933 39.996 38.000 0.106 0.000 1.232 851 I HN 0.220 nan 8.210 nan 0.000 0.429 852 E N 5.917 126.128 120.200 0.017 0.000 2.312 852 E HA 0.726 5.081 4.350 0.009 0.000 0.267 852 E C -0.993 175.626 176.600 0.031 0.000 0.894 852 E CA -1.247 55.164 56.400 0.018 0.000 0.773 852 E CB 3.057 32.757 29.700 -0.001 0.000 1.241 852 E HN 0.453 nan 8.360 nan 0.000 0.432 853 R N 1.476 121.996 120.500 0.034 0.000 2.502 853 R HA 0.372 4.717 4.340 0.009 0.000 0.300 853 R C -1.662 174.662 176.300 0.041 0.000 0.984 853 R CA -0.559 55.569 56.100 0.048 0.000 0.882 853 R CB 0.978 31.303 30.300 0.042 0.000 1.180 853 R HN 0.712 nan 8.270 nan 0.000 0.444 854 K N 1.615 122.051 120.400 0.059 0.000 2.557 854 K HA 0.269 4.595 4.320 0.009 0.000 0.261 854 K C -1.437 175.206 176.600 0.071 0.000 0.932 854 K CA -1.148 55.166 56.287 0.044 0.000 0.829 854 K CB 1.665 34.178 32.500 0.022 0.000 1.358 854 K HN 0.269 nan 8.250 nan 0.000 0.430 855 E N 1.925 122.153 120.200 0.047 0.000 2.366 855 E HA 0.022 4.377 4.350 0.009 0.000 0.266 855 E C -0.958 175.676 176.600 0.057 0.000 1.015 855 E CA 0.401 56.834 56.400 0.055 0.000 0.906 855 E CB 0.691 30.405 29.700 0.024 0.000 0.979 855 E HN 0.430 nan 8.360 nan 0.000 0.443 856 Q N 2.903 122.765 119.800 0.103 0.000 2.322 856 Q HA 0.375 4.720 4.340 0.009 0.000 0.265 856 Q C -0.579 175.423 176.000 0.003 0.000 0.985 856 Q CA -0.783 55.037 55.803 0.028 0.000 0.849 856 Q CB 1.810 30.523 28.738 -0.041 0.000 1.274 856 Q HN 0.706 nan 8.270 nan 0.000 0.449 857 T N -1.184 113.345 114.554 -0.042 0.000 2.948 857 T HA 0.941 5.296 4.350 0.009 0.000 0.285 857 T C 0.306 174.946 174.700 -0.100 0.000 1.019 857 T CA -0.317 61.748 62.100 -0.060 0.000 1.013 857 T CB 1.967 70.808 68.868 -0.046 0.000 1.117 857 T HN 0.776 nan 8.240 nan 0.000 0.533 858 G N -0.137 108.594 108.800 -0.115 0.000 2.315 858 G HA2 0.525 4.491 3.960 0.009 0.000 0.294 858 G HA3 0.525 4.491 3.960 0.009 0.000 0.294 858 G C -0.848 173.959 174.900 -0.155 0.000 1.300 858 G CA -0.225 44.791 45.100 -0.141 0.000 0.843 858 G HN 1.494 nan 8.290 nan 0.000 0.527 859 T N -3.294 111.165 114.554 -0.158 0.000 2.883 859 T HA 0.478 4.833 4.350 0.009 0.000 0.301 859 T C 0.209 174.841 174.700 -0.113 0.000 1.158 859 T CA -0.408 61.625 62.100 -0.110 0.000 1.007 859 T CB 1.783 70.643 68.868 -0.014 0.000 1.186 859 T HN 0.612 nan 8.240 nan 0.000 0.499 860 W N 1.002 122.311 121.300 0.015 0.000 2.388 860 W HA 0.020 4.685 4.660 0.008 0.000 0.294 860 W C 2.535 179.057 176.519 0.006 0.000 1.212 860 W CA 1.306 58.672 57.345 0.035 0.000 1.271 860 W CB -0.399 29.099 29.460 0.064 0.000 1.126 860 W HN 0.868 nan 8.180 nan 0.000 0.535 861 N N 0.120 118.948 118.700 0.213 0.000 2.149 861 N HA -0.197 4.548 4.740 0.009 0.000 0.188 861 N C 1.603 177.149 175.510 0.060 0.000 1.019 861 N CA 2.224 55.344 53.050 0.117 0.000 0.857 861 N CB -0.300 38.235 38.487 0.080 0.000 0.997 861 N HN -0.056 nan 8.380 nan 0.000 0.426 862 S N 0.230 115.943 115.700 0.023 0.000 2.382 862 S HA -0.137 4.338 4.470 0.009 0.000 0.228 862 S C 1.956 176.528 174.600 -0.045 0.000 1.027 862 S CA 1.391 59.580 58.200 -0.019 0.000 0.991 862 S CB -0.636 62.532 63.200 -0.054 0.000 0.823 862 S HN 0.678 nan 8.310 nan 0.000 0.469 863 I N -1.484 119.056 120.570 -0.049 0.000 3.603 863 I HA 0.334 4.510 4.170 0.009 0.000 0.297 863 I C 0.396 176.508 176.117 -0.008 0.000 1.269 863 I CA 0.144 61.395 61.300 -0.082 0.000 1.361 863 I CB -0.126 37.800 38.000 -0.123 0.000 1.063 863 I HN 0.057 nan 8.210 nan 0.000 0.448 864 N N 1.144 119.880 118.700 0.061 0.000 2.653 864 N HA 0.263 5.009 4.740 0.009 0.000 0.261 864 N C 0.547 176.094 175.510 0.062 0.000 1.216 864 N CA -0.495 52.598 53.050 0.071 0.000 0.784 864 N CB 0.698 39.262 38.487 0.128 0.000 1.327 864 N HN -0.067 nan 8.380 nan 0.000 0.539 865 R N 0.317 120.839 120.500 0.038 0.000 2.303 865 R HA -0.050 4.295 4.340 0.009 0.000 0.225 865 R C 0.944 177.260 176.300 0.028 0.000 1.114 865 R CA 0.886 57.006 56.100 0.034 0.000 1.007 865 R CB -0.542 29.776 30.300 0.031 0.000 0.861 865 R HN 0.496 nan 8.270 nan 0.000 0.471 866 T N 0.215 114.783 114.554 0.023 0.000 3.023 866 T HA -0.012 4.344 4.350 0.009 0.000 0.266 866 T C 0.893 175.597 174.700 0.007 0.000 1.093 866 T CA 0.493 62.596 62.100 0.006 0.000 1.129 866 T CB 0.067 68.930 68.868 -0.008 0.000 0.899 866 T HN 0.162 nan 8.240 nan 0.000 0.491 867 S N 0.771 116.490 115.700 0.032 0.000 2.584 867 S HA 0.185 4.661 4.470 0.009 0.000 0.273 867 S C 0.938 175.561 174.600 0.038 0.000 1.311 867 S CA -0.648 57.573 58.200 0.035 0.000 1.034 867 S CB 0.726 63.980 63.200 0.089 0.000 0.939 867 S HN 0.376 nan 8.310 nan 0.000 0.513 868 K N 2.263 122.677 120.400 0.023 0.000 2.374 868 K HA 0.167 4.492 4.320 0.009 0.000 0.196 868 K C 0.134 176.758 176.600 0.039 0.000 1.023 868 K CA -0.326 55.974 56.287 0.023 0.000 1.103 868 K CB -0.153 32.350 32.500 0.005 0.000 0.848 868 K HN 0.329 nan 8.250 nan 0.000 0.528 869 N N 2.654 121.393 118.700 0.065 0.000 2.448 869 N HA -0.006 4.739 4.740 0.009 0.000 0.250 869 N C 0.054 175.634 175.510 0.116 0.000 1.136 869 N CA 0.272 53.380 53.050 0.097 0.000 0.953 869 N CB 0.900 39.469 38.487 0.137 0.000 1.251 869 N HN 0.213 nan 8.380 nan 0.000 0.502 870 T N -1.539 113.057 114.554 0.070 0.000 3.069 870 T HA 0.166 4.521 4.350 0.009 0.000 0.252 870 T C 0.402 175.121 174.700 0.033 0.000 1.053 870 T CA -0.451 61.679 62.100 0.050 0.000 0.964 870 T CB -0.172 68.715 68.868 0.032 0.000 1.005 870 T HN 0.209 nan 8.240 nan 0.000 0.532 871 S N 2.015 117.738 115.700 0.038 0.000 2.537 871 S HA 0.301 4.776 4.470 0.009 0.000 0.286 871 S C 0.197 174.788 174.600 -0.015 0.000 1.299 871 S CA -0.585 57.623 58.200 0.012 0.000 1.067 871 S CB 0.030 63.239 63.200 0.016 0.000 0.864 871 S HN 0.330 nan 8.310 nan 0.000 0.494 872 I N 3.848 124.400 120.570 -0.030 0.000 2.533 872 I HA 0.099 4.274 4.170 0.009 0.000 0.284 872 I C 0.228 176.293 176.117 -0.087 0.000 1.109 872 I CA 0.274 61.542 61.300 -0.053 0.000 1.412 872 I CB 0.340 38.317 38.000 -0.039 0.000 1.396 872 I HN 0.465 nan 8.210 nan 0.000 0.543 873 V N 3.364 123.198 119.914 -0.134 0.000 2.919 873 V HA 0.948 5.073 4.120 0.009 0.000 0.316 873 V C -0.159 175.873 176.094 -0.104 0.000 1.077 873 V CA -0.622 61.568 62.300 -0.184 0.000 0.977 873 V CB 1.632 33.207 31.823 -0.414 0.000 1.039 873 V HN 0.747 nan 8.190 nan 0.000 0.441 874 S N 1.669 117.339 115.700 -0.051 0.000 2.588 874 S HA 0.765 5.240 4.470 0.009 0.000 0.275 874 S C -1.115 173.505 174.600 0.034 0.000 1.130 874 S CA -0.792 57.406 58.200 -0.003 0.000 0.855 874 S CB 1.828 65.025 63.200 -0.005 0.000 1.116 874 S HN 0.946 nan 8.310 nan 0.000 0.472 875 N N 0.962 119.704 118.700 0.070 0.000 2.371 875 N HA 0.505 5.250 4.740 0.009 0.000 0.280 875 N C -3.247 172.265 175.510 0.004 0.000 1.084 875 N CA -1.343 51.702 53.050 -0.009 0.000 0.892 875 N CB 2.972 41.414 38.487 -0.076 0.000 1.653 875 N HN 0.467 nan 8.380 nan 0.000 0.480 876 P HA 0.258 nan 4.420 nan 0.000 0.281 876 P C -1.289 175.907 177.300 -0.174 0.000 1.252 876 P CA 0.198 63.265 63.100 -0.055 0.000 0.778 876 P CB 0.403 32.064 31.700 -0.065 0.000 0.895 877 F N 2.283 122.220 119.950 -0.020 0.000 2.551 877 F HA 0.494 5.027 4.527 0.009 0.000 0.316 877 F C 0.467 176.270 175.800 0.004 0.000 1.089 877 F CA -0.868 57.127 58.000 -0.009 0.000 0.915 877 F CB 1.959 40.928 39.000 -0.051 0.000 1.186 877 F HN 0.088 nan 8.300 nan 0.000 0.456 878 I N 2.432 123.131 120.570 0.215 0.000 2.355 878 I HA 0.299 4.475 4.170 0.009 0.000 0.288 878 I C -0.762 175.407 176.117 0.086 0.000 0.999 878 I CA -0.295 61.071 61.300 0.110 0.000 1.163 878 I CB 1.608 39.644 38.000 0.060 0.000 1.316 878 I HN 0.507 nan 8.210 nan 0.000 0.454 879 T N 7.304 121.883 114.554 0.042 0.000 2.758 879 T HA 0.569 4.924 4.350 0.009 0.000 0.285 879 T C -0.070 174.598 174.700 -0.054 0.000 0.981 879 T CA -0.286 61.812 62.100 -0.003 0.000 0.965 879 T CB 0.940 69.799 68.868 -0.015 0.000 0.927 879 T HN 0.265 nan 8.240 nan 0.000 0.448 880 I N 3.653 124.157 120.570 -0.111 0.000 2.354 880 I HA 0.500 4.676 4.170 0.009 0.000 0.292 880 I C 0.354 176.366 176.117 -0.175 0.000 0.989 880 I CA -0.404 60.789 61.300 -0.179 0.000 1.188 880 I CB 1.350 39.139 38.000 -0.352 0.000 1.342 880 I HN 0.687 nan 8.210 nan 0.000 0.457 881 S N 4.803 120.410 115.700 -0.154 0.000 2.607 881 S HA 0.607 5.083 4.470 0.009 0.000 0.273 881 S C -1.049 173.441 174.600 -0.183 0.000 1.148 881 S CA -0.898 57.208 58.200 -0.156 0.000 0.833 881 S CB 2.261 65.398 63.200 -0.105 0.000 1.130 881 S HN 0.638 nan 8.310 nan 0.000 0.470 882 Q N 1.277 120.947 119.800 -0.216 0.000 2.275 882 Q HA 0.401 4.746 4.340 0.009 0.000 0.266 882 Q C -1.062 174.670 176.000 -0.446 0.000 1.002 882 Q CA -0.664 54.969 55.803 -0.283 0.000 0.761 882 Q CB 1.317 29.907 28.738 -0.247 0.000 1.255 882 Q HN 0.795 nan 8.270 nan 0.000 0.446 883 K N 3.306 123.501 120.400 -0.342 0.000 2.237 883 K HA 0.284 4.610 4.320 0.009 0.000 0.270 883 K C -0.938 175.408 176.600 -0.424 0.000 1.015 883 K CA -0.218 55.883 56.287 -0.310 0.000 0.949 883 K CB 0.862 33.278 32.500 -0.141 0.000 0.976 883 K HN 0.574 nan 8.250 nan 0.000 0.472 884 H N 1.116 120.214 119.070 0.047 0.000 2.679 884 H HA 0.341 4.902 4.556 0.009 0.000 0.367 884 H C -0.962 174.395 175.328 0.047 0.000 1.162 884 H CA -0.727 55.360 56.048 0.066 0.000 1.181 884 H CB 2.078 31.901 29.762 0.102 0.000 1.693 884 H HN 0.938 nan 8.280 nan 0.000 0.538 885 D N -1.587 118.919 120.400 0.176 0.000 2.752 885 D HA 0.097 4.742 4.640 0.009 0.000 0.313 885 D C 0.228 176.580 176.300 0.087 0.000 1.225 885 D CA -0.780 53.280 54.000 0.101 0.000 0.976 885 D CB 0.677 41.513 40.800 0.061 0.000 1.443 885 D HN 0.347 nan 8.370 nan 0.000 0.515 886 N N -0.996 117.738 118.700 0.056 0.000 2.348 886 N HA -0.149 4.597 4.740 0.009 0.000 0.185 886 N C 0.967 176.501 175.510 0.041 0.000 1.019 886 N CA 0.685 53.760 53.050 0.041 0.000 0.880 886 N CB 0.143 38.646 38.487 0.026 0.000 0.965 886 N HN 0.211 nan 8.380 nan 0.000 0.437 887 K N 0.152 120.580 120.400 0.047 0.000 2.108 887 K HA 0.068 4.394 4.320 0.009 0.000 0.204 887 K C 1.147 177.787 176.600 0.065 0.000 1.036 887 K CA 0.432 56.746 56.287 0.045 0.000 0.965 887 K CB -0.581 31.941 32.500 0.037 0.000 0.804 887 K HN -0.022 nan 8.250 nan 0.000 0.454 888 G N 4.203 113.056 108.800 0.089 0.000 3.213 888 G HA2 0.016 3.981 3.960 0.009 0.000 0.263 888 G HA3 0.016 3.981 3.960 0.009 0.000 0.263 888 G C -0.449 174.575 174.900 0.206 0.000 0.829 888 G CA -0.252 44.929 45.100 0.136 0.000 1.983 888 G HN 0.198 nan 8.290 nan 0.000 0.616 889 D N 0.165 120.640 120.400 0.126 0.000 3.072 889 D HA 0.194 4.839 4.640 0.009 0.000 0.250 889 D C 0.417 176.720 176.300 0.004 0.000 1.304 889 D CA -0.350 53.690 54.000 0.066 0.000 0.861 889 D CB -0.135 40.680 40.800 0.026 0.000 1.062 889 D HN 0.284 nan 8.370 nan 0.000 0.481 890 S N -0.698 115.056 115.700 0.089 0.000 2.595 890 S HA 0.612 5.087 4.470 0.009 0.000 0.270 890 S C -1.400 173.363 174.600 0.273 0.000 1.145 890 S CA -1.134 57.086 58.200 0.033 0.000 0.825 890 S CB 1.004 64.209 63.200 0.008 0.000 1.107 890 S HN 0.368 nan 8.310 nan 0.000 0.461 891 Y N -1.493 118.935 120.300 0.213 0.000 2.625 891 Y HA 0.927 5.482 4.550 0.009 0.000 0.338 891 Y C -0.403 175.703 175.900 0.342 0.000 1.123 891 Y CA -0.612 57.698 58.100 0.350 0.000 1.046 891 Y CB 1.126 39.867 38.460 0.468 0.000 1.299 891 Y HN 1.398 nan 8.280 nan 0.000 0.464 892 G N 1.671 110.896 108.800 0.709 0.000 2.334 892 G HA2 0.498 4.464 3.960 0.009 0.000 0.290 892 G HA3 0.498 4.464 3.960 0.009 0.000 0.290 892 G C -2.233 173.116 174.900 0.750 0.000 1.310 892 G CA -0.597 44.875 45.100 0.620 0.000 1.308 892 G HN 1.171 nan 8.290 nan 0.000 0.612 893 Y N -0.401 120.119 120.300 0.367 0.000 2.670 893 Y HA 0.863 5.418 4.550 0.009 0.000 0.334 893 Y C -0.956 174.912 175.900 -0.053 0.000 1.185 893 Y CA -2.114 55.904 58.100 -0.136 0.000 1.053 893 Y CB 1.866 40.033 38.460 -0.489 0.000 1.298 893 Y HN 0.524 nan 8.280 nan 0.000 0.459 894 M N 3.495 122.988 119.600 -0.178 0.000 2.326 894 M HA 0.524 5.009 4.480 0.009 0.000 0.306 894 M C -1.748 174.565 176.300 0.021 0.000 1.054 894 M CA -0.930 54.323 55.300 -0.079 0.000 0.922 894 M CB 2.062 34.545 32.600 -0.196 0.000 1.632 894 M HN 0.949 nan 8.290 nan 0.000 0.436 895 M N 5.486 125.133 119.600 0.077 0.000 2.180 895 M HA 0.547 5.032 4.480 0.009 0.000 0.350 895 M C -1.813 174.396 176.300 -0.152 0.000 1.125 895 M CA -0.627 54.640 55.300 -0.054 0.000 1.031 895 M CB 1.048 33.679 32.600 0.052 0.000 1.623 895 M HN 0.510 nan 8.290 nan 0.000 0.451 896 V N 7.153 126.934 119.914 -0.221 0.000 2.325 896 V HA 0.489 4.614 4.120 0.009 0.000 0.280 896 V C -2.413 173.502 176.094 -0.299 0.000 1.016 896 V CA -1.372 60.823 62.300 -0.175 0.000 0.818 896 V CB 0.807 32.660 31.823 0.049 0.000 1.019 896 V HN 0.727 nan 8.190 nan 0.000 0.434 897 P HA 0.420 nan 4.420 nan 0.000 0.284 897 P C -0.142 176.987 177.300 -0.286 0.000 1.258 897 P CA -0.455 62.366 63.100 -0.465 0.000 0.824 897 P CB 0.557 31.806 31.700 -0.752 0.000 1.038 898 N N -0.492 118.109 118.700 -0.165 0.000 2.725 898 N HA -0.200 4.545 4.740 0.009 0.000 0.251 898 N C -0.461 175.058 175.510 0.015 0.000 1.031 898 N CA 0.840 53.869 53.050 -0.035 0.000 0.720 898 N CB -1.649 36.860 38.487 0.036 0.000 0.930 898 N HN 0.564 nan 8.380 nan 0.000 0.543 899 I N -0.010 120.583 120.570 0.039 0.000 2.569 899 I HA 0.252 4.427 4.170 0.009 0.000 0.296 899 I C 0.014 176.232 176.117 0.169 0.000 1.028 899 I CA -0.934 60.426 61.300 0.100 0.000 1.082 899 I CB 1.331 39.409 38.000 0.131 0.000 1.264 899 I HN 0.123 nan 8.210 nan 0.000 0.429 900 D N 6.315 126.776 120.400 0.102 0.000 2.357 900 D HA 0.025 4.670 4.640 0.009 0.000 0.242 900 D C 0.621 176.889 176.300 -0.054 0.000 1.153 900 D CA -0.402 53.642 54.000 0.074 0.000 0.918 900 D CB 1.348 42.161 40.800 0.022 0.000 1.181 900 D HN 0.647 nan 8.370 nan 0.000 0.435 901 R N 0.487 120.849 120.500 -0.230 0.000 2.096 901 R HA -0.126 4.219 4.340 0.009 0.000 0.235 901 R C 1.997 178.071 176.300 -0.377 0.000 1.127 901 R CA 2.043 57.717 56.100 -0.710 0.000 0.968 901 R CB -0.322 29.559 30.300 -0.697 0.000 0.861 901 R HN 0.635 nan 8.270 nan 0.000 0.440 902 T N -0.451 113.980 114.554 -0.204 0.000 2.674 902 T HA -0.112 4.243 4.350 0.009 0.000 0.265 902 T C 1.989 176.622 174.700 -0.113 0.000 1.039 902 T CA 1.709 63.726 62.100 -0.139 0.000 1.150 902 T CB -0.346 68.470 68.868 -0.086 0.000 0.864 902 T HN 0.191 nan 8.240 nan 0.000 0.427 903 S N 1.052 116.708 115.700 -0.073 0.000 2.382 903 S HA -0.028 4.447 4.470 0.009 0.000 0.228 903 S C 1.624 176.189 174.600 -0.059 0.000 1.027 903 S CA 0.898 59.068 58.200 -0.050 0.000 0.991 903 S CB -0.550 62.644 63.200 -0.011 0.000 0.823 903 S HN 0.502 nan 8.310 nan 0.000 0.469 904 F N 2.921 122.744 119.950 -0.213 0.000 2.095 904 F HA -0.170 4.362 4.527 0.008 0.000 0.298 904 F C 1.833 177.505 175.800 -0.214 0.000 1.104 904 F CA 1.590 59.456 58.000 -0.224 0.000 1.232 904 F CB -0.487 38.284 39.000 -0.382 0.000 0.987 904 F HN 0.082 nan 8.300 nan 0.000 0.475 905 D N 0.617 120.826 120.400 -0.319 0.000 2.104 905 D HA -0.177 4.468 4.640 0.009 0.000 0.194 905 D C 2.236 178.363 176.300 -0.290 0.000 0.994 905 D CA 1.453 55.251 54.000 -0.338 0.000 0.830 905 D CB -0.342 40.340 40.800 -0.197 0.000 0.959 905 D HN 0.364 nan 8.370 nan 0.000 0.452 906 K N 0.133 120.411 120.400 -0.203 0.000 2.032 906 K HA -0.152 4.173 4.320 0.009 0.000 0.209 906 K C 2.138 178.632 176.600 -0.177 0.000 1.048 906 K CA 0.571 56.768 56.287 -0.150 0.000 0.927 906 K CB -0.391 32.047 32.500 -0.103 0.000 0.712 906 K HN 0.069 nan 8.250 nan 0.000 0.441 907 L N 1.336 122.430 121.223 -0.215 0.000 2.012 907 L HA -0.176 4.169 4.340 0.009 0.000 0.210 907 L C 2.234 178.935 176.870 -0.282 0.000 1.073 907 L CA 2.040 56.752 54.840 -0.214 0.000 0.748 907 L CB -0.804 41.133 42.059 -0.202 0.000 0.891 907 L HN 0.148 nan 8.230 nan 0.000 0.431 908 A N -0.399 122.137 122.820 -0.473 0.000 1.902 908 A HA -0.211 4.114 4.320 0.009 0.000 0.217 908 A C 2.057 179.503 177.584 -0.229 0.000 1.181 908 A CA 1.921 53.690 52.037 -0.447 0.000 0.623 908 A CB -0.770 17.838 19.000 -0.653 0.000 0.818 908 A HN 0.658 nan 8.150 nan 0.000 0.443 909 N N 0.273 118.858 118.700 -0.192 0.000 2.409 909 N HA -0.037 4.709 4.740 0.009 0.000 0.179 909 N C 1.228 176.695 175.510 -0.072 0.000 1.032 909 N CA 0.899 53.885 53.050 -0.106 0.000 0.898 909 N CB -0.312 38.119 38.487 -0.094 0.000 0.971 909 N HN 0.608 nan 8.380 nan 0.000 0.441 910 S N 0.570 116.219 115.700 -0.085 0.000 2.626 910 S HA 0.171 4.646 4.470 0.009 0.000 0.257 910 S C 0.661 175.249 174.600 -0.021 0.000 1.288 910 S CA -0.058 58.113 58.200 -0.049 0.000 0.980 910 S CB 1.136 64.302 63.200 -0.057 0.000 0.975 910 S HN -0.051 nan 8.310 nan 0.000 0.577 911 K N 0.370 120.771 120.400 0.003 0.000 2.758 911 K HA 0.240 4.565 4.320 0.009 0.000 0.208 911 K C 0.992 177.612 176.600 0.035 0.000 1.091 911 K CA -0.152 56.157 56.287 0.037 0.000 1.059 911 K CB 0.209 32.737 32.500 0.046 0.000 0.801 911 K HN 0.668 nan 8.250 nan 0.000 0.470 912 E N 0.607 120.810 120.200 0.005 0.000 2.049 912 E HA -0.124 4.231 4.350 0.009 0.000 0.198 912 E C 0.332 176.914 176.600 -0.031 0.000 1.007 912 E CA 1.191 57.578 56.400 -0.021 0.000 0.809 912 E CB 0.274 29.953 29.700 -0.035 0.000 0.749 912 E HN -0.054 nan 8.360 nan 0.000 0.450 913 V N 1.436 121.372 119.914 0.037 0.000 2.427 913 V HA 0.212 4.338 4.120 0.009 0.000 0.286 913 V C -0.307 175.899 176.094 0.185 0.000 1.034 913 V CA -0.260 62.091 62.300 0.085 0.000 0.893 913 V CB 1.607 33.544 31.823 0.189 0.000 0.982 913 V HN 0.076 nan 8.190 nan 0.000 0.452 914 E N 3.116 123.344 120.200 0.047 0.000 2.224 914 E HA 0.345 4.700 4.350 0.009 0.000 0.265 914 E C -1.284 175.157 176.600 -0.266 0.000 0.878 914 E CA -0.956 55.430 56.400 -0.023 0.000 0.759 914 E CB 2.369 32.093 29.700 0.040 0.000 1.164 914 E HN 0.477 nan 8.360 nan 0.000 0.414 915 L N 5.902 126.775 121.223 -0.584 0.000 2.387 915 L HA 0.186 4.531 4.340 0.009 0.000 0.267 915 L C 0.286 177.013 176.870 -0.239 0.000 1.197 915 L CA 0.509 54.960 54.840 -0.648 0.000 1.070 915 L CB -0.341 41.064 42.059 -1.089 0.000 1.349 915 L HN 0.736 nan 8.230 nan 0.000 0.422 916 L N 1.872 123.032 121.223 -0.105 0.000 2.191 916 L HA 0.065 4.410 4.340 0.009 0.000 0.212 916 L C 0.814 177.681 176.870 -0.005 0.000 1.103 916 L CA 0.815 55.650 54.840 -0.008 0.000 0.769 916 L CB -0.120 41.989 42.059 0.083 0.000 0.908 916 L HN 0.652 nan 8.230 nan 0.000 0.438 917 E N -0.519 119.665 120.200 -0.026 0.000 2.422 917 E HA 0.152 4.507 4.350 0.009 0.000 0.289 917 E C -1.401 175.187 176.600 -0.019 0.000 0.985 917 E CA -0.381 56.013 56.400 -0.009 0.000 0.812 917 E CB 1.268 30.977 29.700 0.015 0.000 1.226 917 E HN -0.125 nan 8.360 nan 0.000 0.419 918 N N 2.388 121.081 118.700 -0.011 0.000 2.752 918 N HA 0.176 4.921 4.740 0.009 0.000 0.260 918 N C -1.623 173.886 175.510 -0.002 0.000 1.562 918 N CA -0.074 52.968 53.050 -0.013 0.000 0.788 918 N CB 1.088 39.560 38.487 -0.025 0.000 1.192 918 N HN 0.441 nan 8.380 nan 0.000 0.503 919 S N -0.591 115.119 115.700 0.017 0.000 2.739 919 S HA 0.371 4.847 4.470 0.009 0.000 0.306 919 S C 1.307 175.914 174.600 0.012 0.000 1.115 919 S CA -0.095 58.111 58.200 0.010 0.000 0.985 919 S CB 1.286 64.494 63.200 0.014 0.000 1.133 919 S HN 0.194 nan 8.310 nan 0.000 0.541 920 S N 0.192 115.875 115.700 -0.027 0.000 2.474 920 S HA -0.064 4.411 4.470 0.009 0.000 0.235 920 S C 1.499 176.088 174.600 -0.019 0.000 0.997 920 S CA 1.123 59.271 58.200 -0.086 0.000 0.949 920 S CB -0.513 62.635 63.200 -0.087 0.000 0.766 920 S HN 0.759 nan 8.310 nan 0.000 0.517 921 K N 0.698 121.125 120.400 0.044 0.000 2.128 921 K HA 0.070 4.395 4.320 0.009 0.000 0.202 921 K C 0.682 177.362 176.600 0.134 0.000 1.050 921 K CA 0.756 57.085 56.287 0.070 0.000 0.966 921 K CB 0.089 32.606 32.500 0.029 0.000 0.759 921 K HN 0.788 nan 8.250 nan 0.000 0.454 922 Q N 0.052 119.934 119.800 0.136 0.000 2.721 922 Q HA 0.143 4.488 4.340 0.009 0.000 0.282 922 Q C -1.884 174.167 176.000 0.085 0.000 0.932 922 Q CA -1.023 54.840 55.803 0.101 0.000 0.816 922 Q CB 0.936 29.698 28.738 0.040 0.000 1.506 922 Q HN -0.079 nan 8.270 nan 0.000 0.399 923 Q N 1.291 121.131 119.800 0.066 0.000 2.322 923 Q HA 0.611 4.956 4.340 0.009 0.000 0.265 923 Q C -0.840 175.189 176.000 0.047 0.000 0.985 923 Q CA -0.781 55.048 55.803 0.044 0.000 0.849 923 Q CB 2.530 31.294 28.738 0.042 0.000 1.274 923 Q HN 0.483 nan 8.270 nan 0.000 0.449 924 V N 4.066 124.003 119.914 0.038 0.000 2.444 924 V HA 0.504 4.629 4.120 0.009 0.000 0.294 924 V C -0.236 175.889 176.094 0.053 0.000 1.022 924 V CA -0.632 61.723 62.300 0.091 0.000 0.850 924 V CB 1.820 33.719 31.823 0.128 0.000 0.992 924 V HN 0.687 nan 8.190 nan 0.000 0.426 925 I N 4.221 124.841 120.570 0.083 0.000 2.740 925 I HA 0.532 4.707 4.170 0.009 0.000 0.303 925 I C -1.377 174.765 176.117 0.041 0.000 1.044 925 I CA -0.746 60.552 61.300 -0.004 0.000 1.064 925 I CB 2.337 40.316 38.000 -0.036 0.000 1.249 925 I HN 0.694 nan 8.210 nan 0.000 0.433 926 Y N 3.637 123.788 120.300 -0.247 0.000 2.361 926 Y HA 0.339 4.895 4.550 0.009 0.000 0.328 926 Y C -0.978 174.743 175.900 -0.298 0.000 1.044 926 Y CA -1.137 56.672 58.100 -0.484 0.000 1.085 926 Y CB 1.325 39.273 38.460 -0.855 0.000 1.194 926 Y HN 0.477 nan 8.280 nan 0.000 0.438 927 D N 5.038 124.888 120.400 -0.917 0.000 2.473 927 D HA 0.185 4.830 4.640 0.009 0.000 0.226 927 D C 0.725 176.433 176.300 -0.987 0.000 1.089 927 D CA -0.386 53.238 54.000 -0.627 0.000 0.883 927 D CB 1.012 41.654 40.800 -0.264 0.000 1.029 927 D HN 0.717 nan 8.370 nan 0.000 0.517 928 K N 3.005 122.932 120.400 -0.788 0.000 2.147 928 K HA -0.187 4.139 4.320 0.009 0.000 0.205 928 K C 1.436 177.894 176.600 -0.237 0.000 1.049 928 K CA 0.828 56.833 56.287 -0.469 0.000 0.936 928 K CB -0.017 32.443 32.500 -0.065 0.000 0.722 928 K HN 0.153 nan 8.250 nan 0.000 0.446 929 N N 1.008 119.596 118.700 -0.187 0.000 2.084 929 N HA -0.141 4.604 4.740 0.009 0.000 0.190 929 N C 1.583 177.043 175.510 -0.084 0.000 1.030 929 N CA 1.972 54.967 53.050 -0.092 0.000 0.849 929 N CB -0.052 38.403 38.487 -0.053 0.000 1.012 929 N HN 0.528 nan 8.380 nan 0.000 0.423 930 S N -0.525 115.106 115.700 -0.116 0.000 2.535 930 S HA 0.106 4.581 4.470 0.009 0.000 0.214 930 S C 0.410 174.901 174.600 -0.182 0.000 0.980 930 S CA -0.113 58.017 58.200 -0.117 0.000 0.907 930 S CB 0.233 63.386 63.200 -0.079 0.000 0.790 930 S HN 0.298 nan 8.310 nan 0.000 0.510 931 Q N 0.814 120.473 119.800 -0.234 0.000 2.470 931 Q HA -0.117 4.228 4.340 0.009 0.000 0.294 931 Q C -1.075 174.893 176.000 -0.053 0.000 1.356 931 Q CA 0.891 56.635 55.803 -0.099 0.000 0.805 931 Q CB -2.256 26.538 28.738 0.094 0.000 1.157 931 Q HN 0.634 nan 8.270 nan 0.000 0.431 932 T N -0.331 114.033 114.554 -0.315 0.000 2.829 932 T HA 0.576 4.932 4.350 0.009 0.000 0.280 932 T C -0.599 174.010 174.700 -0.151 0.000 0.999 932 T CA -0.410 61.595 62.100 -0.159 0.000 0.983 932 T CB 0.773 69.480 68.868 -0.268 0.000 0.968 932 T HN 0.234 nan 8.240 nan 0.000 0.446 933 W N 1.595 122.964 121.300 0.114 0.000 2.529 933 W HA 0.683 5.348 4.660 0.009 0.000 0.321 933 W C -0.272 176.283 176.519 0.060 0.000 1.047 933 W CA -0.790 56.645 57.345 0.150 0.000 1.216 933 W CB 1.338 30.837 29.460 0.066 0.000 1.357 933 W HN 0.746 nan 8.180 nan 0.000 0.489 934 A N 2.839 125.829 122.820 0.283 0.000 2.319 934 A HA 0.842 5.167 4.320 0.009 0.000 0.310 934 A C -1.546 176.158 177.584 0.200 0.000 1.152 934 A CA -0.683 51.474 52.037 0.202 0.000 0.783 934 A CB 0.998 20.078 19.000 0.133 0.000 1.184 934 A HN 0.417 nan 8.150 nan 0.000 0.474 935 V N 3.963 124.005 119.914 0.214 0.000 2.525 935 V HA 0.394 4.519 4.120 0.009 0.000 0.299 935 V C -0.549 175.688 176.094 0.238 0.000 1.034 935 V CA -0.177 62.232 62.300 0.183 0.000 0.863 935 V CB 1.634 33.510 31.823 0.089 0.000 0.999 935 V HN 0.780 nan 8.190 nan 0.000 0.423 936 I N 4.712 125.369 120.570 0.145 0.000 2.330 936 I HA 0.402 4.577 4.170 0.009 0.000 0.286 936 I C 0.174 176.281 176.117 -0.016 0.000 1.025 936 I CA -0.341 61.026 61.300 0.111 0.000 1.197 936 I CB 1.000 39.028 38.000 0.047 0.000 1.358 936 I HN 0.461 nan 8.210 nan 0.000 0.467 937 K N 5.276 125.748 120.400 0.121 0.000 2.234 937 K HA 0.325 4.650 4.320 0.009 0.000 0.277 937 K C 0.425 176.941 176.600 -0.140 0.000 1.038 937 K CA -0.578 55.735 56.287 0.044 0.000 0.888 937 K CB 1.057 33.693 32.500 0.226 0.000 1.091 937 K HN 0.544 nan 8.250 nan 0.000 0.467 938 H N 0.836 119.836 119.070 -0.115 0.000 2.563 938 H HA -0.007 4.555 4.556 0.009 0.000 0.264 938 H C -0.029 175.150 175.328 -0.249 0.000 0.957 938 H CA 0.449 56.245 56.048 -0.421 0.000 1.173 938 H CB 0.576 30.119 29.762 -0.366 0.000 1.420 938 H HN 0.677 nan 8.280 nan 0.000 0.551 939 D N -1.313 119.088 120.400 0.002 0.000 2.714 939 D HA 0.060 4.705 4.640 0.009 0.000 0.278 939 D C 0.344 176.671 176.300 0.045 0.000 1.102 939 D CA -0.791 53.217 54.000 0.014 0.000 1.108 939 D CB 0.368 41.175 40.800 0.010 0.000 1.444 939 D HN -0.201 nan 8.370 nan 0.000 0.568 940 N N -0.886 117.837 118.700 0.037 0.000 2.203 940 N HA 0.010 4.755 4.740 0.009 0.000 0.207 940 N C -0.335 175.187 175.510 0.021 0.000 1.130 940 N CA -0.209 52.866 53.050 0.043 0.000 0.861 940 N CB 0.518 39.029 38.487 0.040 0.000 1.005 940 N HN 0.279 nan 8.380 nan 0.000 0.507 941 Q N 1.276 121.084 119.800 0.012 0.000 2.395 941 Q HA 0.055 4.400 4.340 0.009 0.000 0.271 941 Q C 0.233 176.225 176.000 -0.013 0.000 1.026 941 Q CA 0.508 56.310 55.803 -0.002 0.000 0.900 941 Q CB 0.835 29.570 28.738 -0.004 0.000 1.266 941 Q HN 0.171 nan 8.270 nan 0.000 0.430 942 E N 1.028 121.215 120.200 -0.023 0.000 2.414 942 E HA 0.115 4.470 4.350 0.009 0.000 0.263 942 E C -0.595 175.974 176.600 -0.052 0.000 1.000 942 E CA 0.374 56.750 56.400 -0.040 0.000 0.914 942 E CB 0.676 30.351 29.700 -0.041 0.000 0.948 942 E HN 0.344 nan 8.360 nan 0.000 0.444 943 S N 2.303 117.957 115.700 -0.077 0.000 2.548 943 S HA 0.471 4.946 4.470 0.009 0.000 0.286 943 S C -0.951 173.578 174.600 -0.118 0.000 1.098 943 S CA -0.731 57.413 58.200 -0.093 0.000 0.930 943 S CB 1.260 64.394 63.200 -0.110 0.000 1.070 943 S HN 0.259 nan 8.310 nan 0.000 0.480 944 L N 4.149 125.301 121.223 -0.118 0.000 2.377 944 L HA 0.516 4.862 4.340 0.009 0.000 0.270 944 L C -1.286 175.480 176.870 -0.174 0.000 0.991 944 L CA -0.420 54.332 54.840 -0.148 0.000 0.851 944 L CB 1.215 43.193 42.059 -0.135 0.000 1.218 944 L HN 0.587 nan 8.230 nan 0.000 0.420 945 I N 4.085 124.526 120.570 -0.214 0.000 2.342 945 I HA 0.170 4.345 4.170 0.009 0.000 0.291 945 I C 1.471 177.298 176.117 -0.483 0.000 1.010 945 I CA -0.004 61.125 61.300 -0.285 0.000 1.308 945 I CB 0.663 38.510 38.000 -0.255 0.000 1.400 945 I HN 0.734 nan 8.210 nan 0.000 0.488 946 N N 5.068 123.487 118.700 -0.469 0.000 2.661 946 N HA -0.282 4.463 4.740 0.009 0.000 0.249 946 N C 0.527 175.797 175.510 -0.400 0.000 1.142 946 N CA 0.830 53.611 53.050 -0.450 0.000 0.727 946 N CB -0.442 37.592 38.487 -0.755 0.000 1.099 946 N HN 0.890 nan 8.380 nan 0.000 0.558 947 N N -0.612 117.887 118.700 -0.336 0.000 2.741 947 N HA -0.243 4.502 4.740 0.009 0.000 0.250 947 N C 0.586 175.862 175.510 -0.389 0.000 1.115 947 N CA 1.894 54.772 53.050 -0.287 0.000 0.724 947 N CB -0.795 37.569 38.487 -0.203 0.000 1.090 947 N HN 0.859 nan 8.380 nan 0.000 0.558 948 Q N -2.208 117.225 119.800 -0.611 0.000 2.330 948 Q HA 0.196 4.542 4.340 0.009 0.000 0.254 948 Q C -0.323 175.169 176.000 -0.846 0.000 0.777 948 Q CA -0.018 55.296 55.803 -0.814 0.000 0.972 948 Q CB 0.328 28.345 28.738 -1.203 0.000 1.236 948 Q HN 0.159 nan 8.270 nan 0.000 0.508 949 F N 2.144 121.851 119.950 -0.406 0.000 2.415 949 F HA 0.514 5.046 4.527 0.009 0.000 0.348 949 F C -0.137 175.482 175.800 -0.301 0.000 1.119 949 F CA -0.973 56.807 58.000 -0.367 0.000 1.069 949 F CB 1.404 40.126 39.000 -0.463 0.000 1.124 949 F HN -0.230 nan 8.300 nan 0.000 0.472 950 K N 3.778 124.141 120.400 -0.062 0.000 2.281 950 K HA 0.548 4.873 4.320 0.009 0.000 0.272 950 K C -0.908 175.609 176.600 -0.139 0.000 1.048 950 K CA -0.086 56.138 56.287 -0.106 0.000 0.898 950 K CB 0.812 33.261 32.500 -0.085 0.000 1.128 950 K HN 0.606 nan 8.250 nan 0.000 0.460 951 M N 3.468 122.946 119.600 -0.202 0.000 2.134 951 M HA 0.237 4.722 4.480 0.009 0.000 0.310 951 M C -0.039 176.177 176.300 -0.140 0.000 0.966 951 M CA -0.526 54.603 55.300 -0.285 0.000 0.922 951 M CB 1.449 33.663 32.600 -0.643 0.000 1.537 951 M HN 0.495 nan 8.290 nan 0.000 0.424 952 N N 1.372 120.035 118.700 -0.062 0.000 2.197 952 N HA 0.188 4.933 4.740 0.009 0.000 0.228 952 N C -0.879 174.648 175.510 0.028 0.000 1.212 952 N CA -0.399 52.638 53.050 -0.021 0.000 0.883 952 N CB 0.615 39.084 38.487 -0.029 0.000 1.107 952 N HN 0.422 nan 8.380 nan 0.000 0.519 953 K N 0.254 120.708 120.400 0.089 0.000 2.371 953 K HA 0.673 4.998 4.320 0.009 0.000 0.251 953 K C -0.864 175.918 176.600 0.303 0.000 0.934 953 K CA -0.938 55.435 56.287 0.143 0.000 0.798 953 K CB 2.732 35.263 32.500 0.050 0.000 1.204 953 K HN 0.104 nan 8.250 nan 0.000 0.427 954 A N 1.331 124.310 122.820 0.266 0.000 2.407 954 A HA 0.689 5.015 4.320 0.009 0.000 0.248 954 A C 0.487 178.346 177.584 0.458 0.000 1.082 954 A CA 0.887 53.114 52.037 0.317 0.000 0.785 954 A CB 0.217 19.338 19.000 0.201 0.000 1.020 954 A HN 0.884 nan 8.150 nan 0.000 0.489 955 G N -0.366 108.737 108.800 0.505 0.000 2.350 955 G HA2 0.376 4.342 3.960 0.009 0.000 0.276 955 G HA3 0.376 4.342 3.960 0.009 0.000 0.276 955 G C -1.430 173.574 174.900 0.172 0.000 1.313 955 G CA -0.756 44.482 45.100 0.229 0.000 0.903 955 G HN 0.954 nan 8.290 nan 0.000 0.490 956 L N 0.261 121.407 121.223 -0.129 0.000 2.313 956 L HA 0.682 5.027 4.340 0.009 0.000 0.283 956 L C -1.155 175.679 176.870 -0.060 0.000 1.013 956 L CA -0.797 54.048 54.840 0.009 0.000 0.816 956 L CB 1.617 43.674 42.059 -0.003 0.000 1.236 956 L HN 0.533 nan 8.230 nan 0.000 0.419 957 Y N 3.509 123.899 120.300 0.149 0.000 2.425 957 Y HA 0.635 5.190 4.550 0.009 0.000 0.344 957 Y C -0.363 175.591 175.900 0.091 0.000 0.969 957 Y CA -0.649 57.540 58.100 0.148 0.000 1.052 957 Y CB 2.145 40.682 38.460 0.129 0.000 1.215 957 Y HN 0.357 nan 8.280 nan 0.000 0.451 958 L N 3.945 125.300 121.223 0.219 0.000 2.406 958 L HA 0.692 5.037 4.340 0.009 0.000 0.272 958 L C -1.386 175.540 176.870 0.093 0.000 0.980 958 L CA -0.868 54.058 54.840 0.143 0.000 0.831 958 L CB 1.829 43.950 42.059 0.105 0.000 1.253 958 L HN 0.378 nan 8.230 nan 0.000 0.406 959 V N 3.566 123.520 119.914 0.066 0.000 2.443 959 V HA 0.407 4.532 4.120 0.009 0.000 0.293 959 V C -0.505 175.668 176.094 0.132 0.000 1.021 959 V CA -0.480 61.807 62.300 -0.022 0.000 0.848 959 V CB 1.844 33.399 31.823 -0.447 0.000 0.998 959 V HN 0.741 nan 8.190 nan 0.000 0.424 960 Q N 3.521 123.394 119.800 0.121 0.000 2.365 960 Q HA 0.494 4.839 4.340 0.009 0.000 0.269 960 Q C -0.640 175.463 176.000 0.173 0.000 1.061 960 Q CA -0.810 55.057 55.803 0.107 0.000 0.816 960 Q CB 2.286 30.955 28.738 -0.114 0.000 1.325 960 Q HN 0.681 nan 8.270 nan 0.000 0.446 961 K N 2.153 122.640 120.400 0.145 0.000 2.249 961 K HA 0.400 4.725 4.320 0.009 0.000 0.280 961 K C -1.505 175.015 176.600 -0.133 0.000 1.033 961 K CA -0.302 55.900 56.287 -0.142 0.000 0.946 961 K CB 1.166 33.559 32.500 -0.179 0.000 1.005 961 K HN 0.423 nan 8.250 nan 0.000 0.469 962 V N 4.600 124.409 119.914 -0.175 0.000 2.655 962 V HA 0.540 4.665 4.120 0.009 0.000 0.301 962 V C 0.041 176.069 176.094 -0.109 0.000 1.082 962 V CA 0.750 62.989 62.300 -0.101 0.000 0.899 962 V CB 0.779 32.570 31.823 -0.054 0.000 1.014 962 V HN 1.177 nan 8.190 nan 0.000 0.429 963 G N 6.318 115.068 108.800 -0.082 0.000 2.550 963 G HA2 -0.282 3.683 3.960 0.009 0.000 0.277 963 G HA3 -0.282 3.683 3.960 0.009 0.000 0.277 963 G C 0.323 175.163 174.900 -0.100 0.000 1.190 963 G CA 0.580 45.639 45.100 -0.067 0.000 0.971 963 G HN 1.073 nan 8.290 nan 0.000 0.559 964 N N 2.712 121.361 118.700 -0.085 0.000 2.328 964 N HA 0.295 5.040 4.740 0.009 0.000 0.247 964 N C -0.309 175.133 175.510 -0.114 0.000 1.165 964 N CA 1.039 54.034 53.050 -0.092 0.000 0.873 964 N CB 0.305 38.771 38.487 -0.034 0.000 1.125 964 N HN 0.751 nan 8.380 nan 0.000 0.513 965 D N -1.392 118.901 120.400 -0.179 0.000 2.801 965 D HA 0.375 5.020 4.640 0.009 0.000 0.277 965 D C -1.009 175.087 176.300 -0.340 0.000 1.125 965 D CA -0.525 53.409 54.000 -0.109 0.000 1.102 965 D CB 0.496 41.316 40.800 0.032 0.000 1.400 965 D HN -0.129 nan 8.370 nan 0.000 0.601 966 Y N -0.722 119.645 120.300 0.111 0.000 2.442 966 Y HA 0.367 4.923 4.550 0.009 0.000 0.344 966 Y C -0.362 175.571 175.900 0.055 0.000 0.976 966 Y CA -1.000 57.163 58.100 0.106 0.000 1.040 966 Y CB 2.273 40.839 38.460 0.176 0.000 1.228 966 Y HN 0.358 nan 8.280 nan 0.000 0.451 967 Q N 3.334 123.225 119.800 0.152 0.000 2.256 967 Q HA 0.529 4.874 4.340 0.009 0.000 0.257 967 Q C -1.386 174.661 176.000 0.078 0.000 0.936 967 Q CA -0.712 55.145 55.803 0.090 0.000 0.903 967 Q CB 1.428 30.193 28.738 0.045 0.000 1.263 967 Q HN 0.930 nan 8.270 nan 0.000 0.440 968 N N 0.454 119.196 118.700 0.070 0.000 2.525 968 N HA 0.607 5.352 4.740 0.009 0.000 0.270 968 N C -1.636 173.924 175.510 0.083 0.000 1.321 968 N CA -0.704 52.386 53.050 0.066 0.000 0.797 968 N CB 2.014 40.533 38.487 0.053 0.000 1.529 968 N HN 0.327 nan 8.380 nan 0.000 0.491 969 V N -2.483 117.489 119.914 0.098 0.000 2.760 969 V HA 0.704 4.829 4.120 0.009 0.000 0.309 969 V C -1.573 174.594 176.094 0.122 0.000 1.077 969 V CA -0.860 61.497 62.300 0.094 0.000 0.910 969 V CB 1.121 32.975 31.823 0.052 0.000 1.008 969 V HN 0.883 nan 8.190 nan 0.000 0.424 970 Y N 4.640 124.916 120.300 -0.039 0.000 2.409 970 Y HA 0.787 5.342 4.550 0.009 0.000 0.343 970 Y C -1.743 174.112 175.900 -0.075 0.000 0.973 970 Y CA -1.485 56.501 58.100 -0.189 0.000 1.064 970 Y CB 2.154 40.452 38.460 -0.270 0.000 1.207 970 Y HN 0.875 nan 8.280 nan 0.000 0.452 971 Y N 5.639 125.277 120.300 -1.105 0.000 2.361 971 Y HA 0.403 4.959 4.550 0.010 0.000 0.337 971 Y C -1.040 174.223 175.900 -1.063 0.000 0.965 971 Y CA -0.890 56.699 58.100 -0.852 0.000 1.091 971 Y CB 1.632 39.831 38.460 -0.435 0.000 1.182 971 Y HN 0.722 nan 8.280 nan 0.000 0.450 972 Q N 8.765 127.802 119.800 -1.271 0.000 2.398 972 Q HA 0.362 4.707 4.340 0.009 0.000 0.251 972 Q C -2.233 173.200 176.000 -0.945 0.000 0.999 972 Q CA -2.155 53.158 55.803 -0.817 0.000 0.874 972 Q CB 1.614 30.131 28.738 -0.368 0.000 1.215 972 Q HN 0.459 nan 8.270 nan 0.000 0.470 973 P HA -0.273 nan 4.420 nan 0.000 0.215 973 P C 0.899 178.049 177.300 -0.250 0.000 1.157 973 P CA 1.513 64.322 63.100 -0.486 0.000 0.868 973 P CB 0.203 31.648 31.700 -0.424 0.000 0.788 974 Q N 0.424 120.146 119.800 -0.129 0.000 2.112 974 Q HA -0.176 4.169 4.340 0.009 0.000 0.206 974 Q C 1.602 177.567 176.000 -0.059 0.000 0.987 974 Q CA 3.050 58.833 55.803 -0.034 0.000 0.858 974 Q CB -1.535 27.221 28.738 0.030 0.000 0.905 974 Q HN 0.282 nan 8.270 nan 0.000 0.420 975 T N -3.111 111.375 114.554 -0.115 0.000 3.069 975 T HA 0.287 4.642 4.350 0.009 0.000 0.252 975 T C 0.541 175.171 174.700 -0.116 0.000 1.053 975 T CA 0.250 62.300 62.100 -0.084 0.000 0.964 975 T CB -0.164 68.668 68.868 -0.060 0.000 1.005 975 T HN 0.431 nan 8.240 nan 0.000 0.532 976 M N 1.513 120.970 119.600 -0.239 0.000 2.360 976 M HA -0.134 4.351 4.480 0.009 0.000 0.202 976 M C -0.955 175.272 176.300 -0.120 0.000 0.390 976 M CA 0.499 55.697 55.300 -0.170 0.000 0.470 976 M CB -2.554 30.084 32.600 0.063 0.000 1.637 976 M HN 0.327 nan 8.290 nan 0.000 0.885 977 T N 0.467 114.818 114.554 -0.339 0.000 2.779 977 T HA 0.562 4.917 4.350 0.009 0.000 0.280 977 T C -0.069 174.563 174.700 -0.114 0.000 0.987 977 T CA -0.840 61.180 62.100 -0.133 0.000 0.966 977 T CB 2.557 71.374 68.868 -0.086 0.000 0.933 977 T HN 0.334 nan 8.240 nan 0.000 0.442 978 K N 2.252 122.710 120.400 0.097 0.000 2.244 978 K HA 0.569 4.895 4.320 0.009 0.000 0.260 978 K C -1.001 175.654 176.600 0.091 0.000 0.951 978 K CA -0.444 55.925 56.287 0.138 0.000 0.826 978 K CB 1.025 33.625 32.500 0.167 0.000 1.108 978 K HN 0.512 nan 8.250 nan 0.000 0.433 979 T N 3.281 117.902 114.554 0.113 0.000 2.792 979 T HA 0.247 4.602 4.350 0.009 0.000 0.280 979 T C -1.246 173.527 174.700 0.121 0.000 0.990 979 T CA -0.831 61.352 62.100 0.138 0.000 0.960 979 T CB 1.110 70.106 68.868 0.214 0.000 0.939 979 T HN 0.519 nan 8.240 nan 0.000 0.439 980 D N 2.773 123.226 120.400 0.089 0.000 2.225 980 D HA 0.311 4.956 4.640 0.009 0.000 0.248 980 D C 0.283 176.629 176.300 0.077 0.000 1.096 980 D CA -0.012 54.033 54.000 0.076 0.000 0.863 980 D CB 1.316 42.150 40.800 0.057 0.000 1.156 980 D HN 0.410 nan 8.370 nan 0.000 0.450 981 Q N 0.738 120.586 119.800 0.080 0.000 2.459 981 Q HA -0.154 4.191 4.340 0.009 0.000 0.314 981 Q C -0.913 175.133 176.000 0.076 0.000 1.432 981 Q CA 0.146 55.995 55.803 0.076 0.000 0.823 981 Q CB -1.005 27.771 28.738 0.064 0.000 1.124 981 Q HN 0.521 nan 8.270 nan 0.000 0.392 982 L N 0.092 121.370 121.223 0.092 0.000 2.461 982 L HA 0.429 4.774 4.340 0.009 0.000 0.272 982 L C 0.306 177.209 176.870 0.055 0.000 1.197 982 L CA 0.822 55.704 54.840 0.070 0.000 0.836 982 L CB 0.514 42.618 42.059 0.075 0.000 1.105 982 L HN 0.509 nan 8.230 nan 0.000 0.477 983 A N 7.014 129.851 122.820 0.028 0.000 2.395 983 A HA 0.457 4.782 4.320 0.009 0.000 0.286 983 A C -0.069 177.527 177.584 0.020 0.000 1.193 983 A CA -0.327 51.726 52.037 0.027 0.000 0.852 983 A CB -0.357 18.650 19.000 0.012 0.000 1.118 983 A HN 0.684 nan 8.150 nan 0.000 0.524 984 I N 0.000 120.595 120.570 0.041 0.000 2.984 984 I HA 0.000 4.175 4.170 0.009 0.000 0.288 984 I CA 0.000 61.322 61.300 0.036 0.000 1.566 984 I CB 0.000 38.023 38.000 0.038 0.000 1.214 984 I HN 0.000 nan 8.210 nan 0.000 0.494