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 1pd1_1_A DATA FIRST_RESID 133 DATA SEQUENCE RPMNQLYPID LLTELPPPIT DLTLPPPPLV IPPERMLVPS ELSNASPDYI DATA SEQUENCE RSTLNAVPKN SSLLKKSKLP FGLVIRPYQH LYDDIDPPPL NEDGLIVRCR DATA SEQUENCE RCRSYMNPFV TFIEQGRRWR CNFCRLANDV PMQMDQXXXX XPKSRYDRNE DATA SEQUENCE IKCAVMEYMA PKEYTLRQPP PATYCFLIDV SQSSIKSGLL ATTINTLLQN DATA SEQUENCE LDSIPNHDER TRISILCVDN AIHYFKIPLD SENXXXXXXX INMMDIADLE DATA SEQUENCE EXXXXXPNSM VVSLKACRQN IETLLTKIPQ IFQSNLITNF ALGPALKSAY DATA SEQUENCE HLIGGVGGKI IVVSGTLPNL GIGKLQRXXX XXXXXXXXXX XXXXXXXDSF DATA SEQUENCE YKNFTIDCSK VQITVDLFLA SEDYMDVASL SNLSRFTAGQ THFYPGFSGK DATA SEQUENCE NPNDIVKFST EFAKHISMDF CMETVMRARG STGLRMSRFY GHFFNRSSDL DATA SEQUENCE CAFSTMPRDQ SYLFEVNVDE SIMADYCYVQ VAVLLSLNNS QRRIRIITLA DATA SEQUENCE MPTTESLAEV YASADQLAIA SFYNSKAVEK ALNSSLDDAR VLINKSVQDI DATA SEQUENCE LATYKKEIVX XXXAGGAPLR LCANLRMFPL LMHSLTKHMA FRSGIVPSDH DATA SEQUENCE RASALNNLES LPLKYLIKNI YPDVYSLHDM ADEAGLPVXX XXXXXXGTIV DATA SEQUENCE LPQPINATSS LFERYGLYLI DNGNELFLWM GGDAVPALVF DVFGTQDIFD DATA SEQUENCE IPIGKQEIPV VENSEFNQRV RNIINQLRNH DDVITYQSLY IVRGAXXXXX DATA SEQUENCE XXXXXAREVA TLRLWASSTL VEDKILNNES YREFLQIMKA RISK 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 133 R HA 0.000 nan 4.340 nan 0.000 0.208 133 R C 0.000 176.307 176.300 0.012 0.000 0.893 133 R CA 0.000 56.110 56.100 0.016 0.000 0.921 133 R CB 0.000 30.315 30.300 0.025 0.000 0.687 134 P HA 0.096 nan 4.420 nan 0.000 0.246 134 P C -0.474 176.839 177.300 0.023 0.000 1.675 134 P CA 0.060 63.175 63.100 0.025 0.000 0.908 134 P CB 0.058 31.780 31.700 0.036 0.000 1.890 135 M N 1.073 120.677 119.600 0.006 0.000 2.252 135 M HA 0.005 4.485 4.480 0.000 0.000 0.348 135 M C 0.707 177.016 176.300 0.015 0.000 1.334 135 M CA 0.309 55.608 55.300 -0.002 0.000 1.071 135 M CB -0.308 32.276 32.600 -0.026 0.000 1.763 135 M HN 0.129 nan 8.290 nan 0.000 0.452 136 N N 3.128 121.845 118.700 0.030 0.000 2.219 136 N HA -0.082 4.658 4.740 0.000 0.000 0.263 136 N C -0.006 175.540 175.510 0.059 0.000 1.269 136 N CA 0.426 53.515 53.050 0.065 0.000 0.831 136 N CB 0.479 39.006 38.487 0.067 0.000 1.059 136 N HN 0.398 nan 8.380 nan 0.000 0.475 137 Q N 1.374 121.225 119.800 0.085 0.000 2.230 137 Q HA 0.337 4.677 4.340 0.000 0.000 0.248 137 Q C 0.236 176.202 176.000 -0.057 0.000 0.915 137 Q CA -0.603 55.176 55.803 -0.040 0.000 0.900 137 Q CB 1.535 30.166 28.738 -0.179 0.000 1.229 137 Q HN 0.490 nan 8.270 nan 0.000 0.439 138 L N 2.565 123.719 121.223 -0.115 0.000 2.410 138 L HA 0.074 4.414 4.340 0.000 0.000 0.273 138 L C -0.854 175.889 176.870 -0.211 0.000 1.152 138 L CA 0.026 54.848 54.840 -0.029 0.000 0.855 138 L CB 0.169 42.228 42.059 -0.000 0.000 1.129 138 L HN 0.553 nan 8.230 nan 0.000 0.463 139 Y N 5.324 125.667 120.300 0.071 0.000 2.805 139 Y HA 0.289 4.839 4.550 0.000 0.000 0.339 139 Y C -1.871 174.065 175.900 0.061 0.000 1.012 139 Y CA -2.482 55.649 58.100 0.053 0.000 1.262 139 Y CB 0.483 38.964 38.460 0.034 0.000 1.100 139 Y HN 0.448 nan 8.280 nan 0.000 0.559 140 P HA 0.155 nan 4.420 nan 0.000 0.268 140 P C -0.317 177.041 177.300 0.096 0.000 1.204 140 P CA 0.434 63.621 63.100 0.146 0.000 0.768 140 P CB 1.500 33.287 31.700 0.145 0.000 0.842 141 I N -1.450 119.146 120.570 0.043 0.000 3.095 141 I HA 0.588 4.758 4.170 0.000 0.000 0.310 141 I C -1.171 174.946 176.117 -0.001 0.000 1.196 141 I CA -1.216 60.099 61.300 0.026 0.000 0.985 141 I CB 2.696 40.708 38.000 0.020 0.000 1.250 141 I HN 0.036 nan 8.210 nan 0.000 0.446 142 D N 3.293 123.696 120.400 0.005 0.000 2.392 142 D HA 0.389 5.029 4.640 0.000 0.000 0.228 142 D C 0.789 177.084 176.300 -0.009 0.000 1.074 142 D CA -0.389 53.608 54.000 -0.005 0.000 0.838 142 D CB 1.599 42.399 40.800 0.000 0.000 1.067 142 D HN 0.717 nan 8.370 nan 0.000 0.511 143 L N 3.195 124.407 121.223 -0.019 0.000 2.129 143 L HA -0.181 4.159 4.340 0.000 0.000 0.212 143 L C 2.186 179.042 176.870 -0.023 0.000 1.087 143 L CA 0.883 55.719 54.840 -0.007 0.000 0.757 143 L CB -0.187 41.868 42.059 -0.007 0.000 0.896 143 L HN 0.490 nan 8.230 nan 0.000 0.434 144 L N -1.195 120.003 121.223 -0.042 0.000 2.456 144 L HA -0.129 4.211 4.340 0.000 0.000 0.224 144 L C 2.073 178.926 176.870 -0.027 0.000 1.148 144 L CA 0.804 55.613 54.840 -0.053 0.000 0.825 144 L CB -0.602 41.424 42.059 -0.055 0.000 0.937 144 L HN 0.172 nan 8.230 nan 0.000 0.450 145 T N -1.085 113.463 114.554 -0.011 0.000 3.060 145 T HA 0.039 4.389 4.350 0.000 0.000 0.249 145 T C 0.833 175.540 174.700 0.012 0.000 1.079 145 T CA 0.371 62.471 62.100 0.001 0.000 1.013 145 T CB 0.051 68.922 68.868 0.005 0.000 0.975 145 T HN 0.351 nan 8.240 nan 0.000 0.518 146 E N 1.389 121.600 120.200 0.019 0.000 2.830 146 E HA 0.261 4.611 4.350 0.000 0.000 0.225 146 E C -1.221 175.417 176.600 0.063 0.000 1.109 146 E CA -0.184 56.238 56.400 0.037 0.000 1.392 146 E CB 0.362 30.087 29.700 0.041 0.000 1.349 146 E HN 0.227 nan 8.360 nan 0.000 0.433 147 L N 1.551 122.803 121.223 0.048 0.000 2.333 147 L HA 0.410 4.750 4.340 0.000 0.000 0.280 147 L C -2.175 174.728 176.870 0.056 0.000 1.004 147 L CA -1.882 52.999 54.840 0.069 0.000 0.820 147 L CB 0.773 42.847 42.059 0.027 0.000 1.247 147 L HN -0.027 nan 8.230 nan 0.000 0.416 148 P HA 0.267 nan 4.420 nan 0.000 0.272 148 P C -2.547 174.812 177.300 0.098 0.000 1.223 148 P CA -1.068 62.094 63.100 0.104 0.000 0.784 148 P CB -0.140 31.611 31.700 0.085 0.000 0.923 149 P HA 0.095 nan 4.420 nan 0.000 0.267 149 P C -2.350 174.952 177.300 0.003 0.000 1.200 149 P CA -1.018 62.118 63.100 0.060 0.000 0.772 149 P CB -0.678 31.008 31.700 -0.024 0.000 0.855 150 P HA 0.159 nan 4.420 nan 0.000 0.231 150 P C 0.739 178.004 177.300 -0.059 0.000 1.811 150 P CA -0.151 62.938 63.100 -0.020 0.000 1.051 150 P CB -0.862 30.830 31.700 -0.012 0.000 1.951 151 I N -1.189 119.332 120.570 -0.082 0.000 2.953 151 I HA -0.181 3.990 4.170 0.000 0.000 0.271 151 I C 1.354 177.420 176.117 -0.084 0.000 1.286 151 I CA 1.325 62.538 61.300 -0.146 0.000 1.449 151 I CB -1.354 36.558 38.000 -0.145 0.000 1.086 151 I HN 0.068 nan 8.210 nan 0.000 0.483 152 T N -2.364 112.165 114.554 -0.042 0.000 3.007 152 T HA -0.114 4.236 4.350 0.000 0.000 0.270 152 T C 1.234 175.912 174.700 -0.036 0.000 1.107 152 T CA 1.239 63.324 62.100 -0.025 0.000 1.118 152 T CB -0.571 68.290 68.868 -0.011 0.000 0.889 152 T HN 0.346 nan 8.240 nan 0.000 0.506 153 D N 1.490 121.859 120.400 -0.052 0.000 2.218 153 D HA 0.023 4.663 4.640 0.000 0.000 0.204 153 D C 1.768 178.037 176.300 -0.052 0.000 0.976 153 D CA 0.538 54.508 54.000 -0.050 0.000 0.853 153 D CB -0.410 40.357 40.800 -0.055 0.000 0.939 153 D HN 0.402 nan 8.370 nan 0.000 0.481 154 L N 0.124 121.304 121.223 -0.071 0.000 2.362 154 L HA -0.069 4.272 4.340 0.000 0.000 0.219 154 L C 1.847 178.695 176.870 -0.037 0.000 1.134 154 L CA 1.246 56.047 54.840 -0.064 0.000 0.807 154 L CB -0.500 41.508 42.059 -0.086 0.000 0.927 154 L HN 0.147 nan 8.230 nan 0.000 0.447 155 T N -3.688 110.849 114.554 -0.029 0.000 3.092 155 T HA 0.300 4.650 4.350 0.000 0.000 0.258 155 T C 0.522 175.212 174.700 -0.015 0.000 1.031 155 T CA -0.284 61.805 62.100 -0.019 0.000 0.925 155 T CB -0.085 68.779 68.868 -0.007 0.000 1.036 155 T HN 0.003 nan 8.240 nan 0.000 0.544 156 L N 1.834 123.045 121.223 -0.019 0.000 2.399 156 L HA 0.491 4.831 4.340 0.000 0.000 0.266 156 L C -2.113 174.750 176.870 -0.011 0.000 1.114 156 L CA -2.390 52.440 54.840 -0.016 0.000 0.804 156 L CB 0.401 42.446 42.059 -0.023 0.000 1.146 156 L HN 0.003 nan 8.230 nan 0.000 0.451 157 P HA 0.229 nan 4.420 nan 0.000 0.274 157 P C -2.392 174.908 177.300 0.001 0.000 1.237 157 P CA -0.955 62.146 63.100 0.000 0.000 0.793 157 P CB -0.081 31.622 31.700 0.006 0.000 0.977 158 P HA 0.204 nan 4.420 nan 0.000 0.272 158 P C -2.523 174.781 177.300 0.008 0.000 1.254 158 P CA -1.156 61.948 63.100 0.006 0.000 0.795 158 P CB -1.015 30.692 31.700 0.012 0.000 1.022 159 P HA 0.192 nan 4.420 nan 0.000 0.267 159 P C -2.290 175.020 177.300 0.017 0.000 1.200 159 P CA -0.614 62.493 63.100 0.013 0.000 0.772 159 P CB -1.132 30.575 31.700 0.011 0.000 0.855 160 P HA 0.074 nan 4.420 nan 0.000 0.269 160 P C -0.556 176.761 177.300 0.029 0.000 1.209 160 P CA 0.285 63.404 63.100 0.030 0.000 0.776 160 P CB 0.347 32.069 31.700 0.035 0.000 0.876 161 L N 2.980 124.225 121.223 0.037 0.000 2.302 161 L HA 0.142 4.483 4.340 0.000 0.000 0.285 161 L C -0.210 176.691 176.870 0.051 0.000 1.090 161 L CA -0.699 54.162 54.840 0.035 0.000 0.866 161 L CB 0.317 42.402 42.059 0.043 0.000 1.244 161 L HN 0.119 nan 8.230 nan 0.000 0.435 162 V N 5.225 125.168 119.914 0.048 0.000 2.377 162 V HA 0.083 4.203 4.120 0.000 0.000 0.254 162 V C 0.392 176.559 176.094 0.121 0.000 1.060 162 V CA 0.326 62.667 62.300 0.069 0.000 1.068 162 V CB -0.398 31.455 31.823 0.050 0.000 1.113 162 V HN 0.391 nan 8.190 nan 0.000 0.484 163 I N 7.442 128.085 120.570 0.122 0.000 2.439 163 I HA 0.416 4.586 4.170 0.000 0.000 0.283 163 I C -1.970 174.211 176.117 0.108 0.000 1.023 163 I CA -2.420 58.964 61.300 0.141 0.000 1.100 163 I CB 2.000 40.064 38.000 0.106 0.000 1.238 163 I HN 0.393 nan 8.210 nan 0.000 0.445 164 P HA 0.219 nan 4.420 nan 0.000 0.269 164 P C -2.282 175.050 177.300 0.053 0.000 1.215 164 P CA -1.037 62.113 63.100 0.084 0.000 0.780 164 P CB 0.481 32.244 31.700 0.106 0.000 0.898 165 P HA -0.181 nan 4.420 nan 0.000 0.217 165 P C 1.106 178.418 177.300 0.021 0.000 1.148 165 P CA 1.545 64.664 63.100 0.031 0.000 0.828 165 P CB 0.015 31.730 31.700 0.025 0.000 0.783 166 E N -0.812 119.403 120.200 0.024 0.000 2.153 166 E HA -0.136 4.215 4.350 0.000 0.000 0.194 166 E C 1.796 178.402 176.600 0.010 0.000 0.988 166 E CA 0.832 57.244 56.400 0.021 0.000 0.811 166 E CB -0.590 29.130 29.700 0.033 0.000 0.746 166 E HN 0.139 nan 8.360 nan 0.000 0.466 167 R N -0.152 120.344 120.500 -0.007 0.000 2.339 167 R HA 0.147 4.487 4.340 0.000 0.000 0.199 167 R C 0.207 176.548 176.300 0.068 0.000 1.018 167 R CA 0.419 56.511 56.100 -0.012 0.000 1.036 167 R CB -0.248 29.934 30.300 -0.196 0.000 0.899 167 R HN 0.306 nan 8.270 nan 0.000 0.473 168 M N 0.418 120.017 119.600 -0.001 0.000 2.311 168 M HA 0.239 4.719 4.480 0.000 0.000 0.325 168 M C 1.184 177.425 176.300 -0.099 0.000 1.061 168 M CA -0.422 54.802 55.300 -0.126 0.000 0.957 168 M CB 2.346 34.881 32.600 -0.108 0.000 1.646 168 M HN -0.207 nan 8.290 nan 0.000 0.434 169 L N 1.769 122.903 121.223 -0.148 0.000 2.012 169 L HA -0.074 4.266 4.340 0.000 0.000 0.210 169 L C 0.476 177.397 176.870 0.084 0.000 1.073 169 L CA 0.945 55.783 54.840 -0.003 0.000 0.748 169 L CB -0.296 41.714 42.059 -0.083 0.000 0.891 169 L HN 0.466 nan 8.230 nan 0.000 0.431 170 V N 0.009 119.926 119.914 0.006 0.000 2.380 170 V HA 0.265 4.385 4.120 0.000 0.000 0.268 170 V C -2.358 173.719 176.094 -0.030 0.000 1.008 170 V CA -1.320 60.991 62.300 0.018 0.000 0.823 170 V CB 0.987 32.838 31.823 0.047 0.000 1.053 170 V HN -0.008 nan 8.190 nan 0.000 0.446 171 P HA 0.223 nan 4.420 nan 0.000 0.261 171 P C -0.014 177.279 177.300 -0.011 0.000 1.183 171 P CA 0.789 63.878 63.100 -0.018 0.000 0.761 171 P CB 0.536 32.233 31.700 -0.004 0.000 0.785 172 S N 1.150 116.845 115.700 -0.009 0.000 2.655 172 S HA 0.232 4.702 4.470 0.000 0.000 0.266 172 S C 0.463 175.069 174.600 0.010 0.000 1.149 172 S CA -0.847 57.352 58.200 -0.001 0.000 0.818 172 S CB 0.848 64.042 63.200 -0.011 0.000 1.130 172 S HN 0.333 nan 8.310 nan 0.000 0.476 173 E N 0.054 120.263 120.200 0.015 0.000 2.427 173 E HA 0.147 4.497 4.350 0.000 0.000 0.196 173 E C 1.068 177.686 176.600 0.029 0.000 1.028 173 E CA 0.521 56.938 56.400 0.028 0.000 0.864 173 E CB -0.323 29.395 29.700 0.029 0.000 0.813 173 E HN 0.493 nan 8.360 nan 0.000 0.514 174 L N 0.287 121.516 121.223 0.010 0.000 2.567 174 L HA 0.054 4.394 4.340 0.000 0.000 0.225 174 L C 2.333 179.191 176.870 -0.020 0.000 1.119 174 L CA 0.025 54.864 54.840 -0.001 0.000 0.871 174 L CB 0.105 42.153 42.059 -0.019 0.000 1.036 174 L HN 0.033 nan 8.230 nan 0.000 0.459 175 S N -0.073 115.613 115.700 -0.024 0.000 2.447 175 S HA -0.061 4.409 4.470 0.000 0.000 0.233 175 S C 0.930 175.525 174.600 -0.008 0.000 1.006 175 S CA 0.737 58.892 58.200 -0.076 0.000 0.957 175 S CB -0.110 63.035 63.200 -0.092 0.000 0.773 175 S HN 0.369 nan 8.310 nan 0.000 0.507 176 N N 0.517 119.286 118.700 0.114 0.000 2.314 176 N HA 0.540 5.280 4.740 0.000 0.000 0.304 176 N C -0.875 174.729 175.510 0.157 0.000 1.073 176 N CA -0.171 53.031 53.050 0.254 0.000 0.822 176 N CB 1.697 40.340 38.487 0.261 0.000 1.280 176 N HN 0.206 nan 8.380 nan 0.000 0.489 177 A N 1.780 124.703 122.820 0.172 0.000 2.584 177 A HA 0.122 4.442 4.320 0.000 0.000 0.239 177 A C 0.727 178.385 177.584 0.124 0.000 1.043 177 A CA 0.306 52.413 52.037 0.117 0.000 0.756 177 A CB -0.319 18.754 19.000 0.121 0.000 0.963 177 A HN 0.599 nan 8.150 nan 0.000 0.511 178 S N 2.863 118.651 115.700 0.148 0.000 2.585 178 S HA 0.348 4.818 4.470 0.000 0.000 0.273 178 S C -1.487 173.202 174.600 0.149 0.000 1.339 178 S CA -1.062 57.234 58.200 0.160 0.000 1.028 178 S CB 0.512 63.843 63.200 0.219 0.000 0.906 178 S HN 0.478 nan 8.310 nan 0.000 0.528 179 P HA -0.008 nan 4.420 nan 0.000 0.222 179 P C 0.472 177.793 177.300 0.035 0.000 1.147 179 P CA 0.726 63.864 63.100 0.063 0.000 0.790 179 P CB 0.085 31.810 31.700 0.041 0.000 0.780 180 D N -2.004 118.402 120.400 0.010 0.000 2.219 180 D HA -0.124 4.516 4.640 0.000 0.000 0.205 180 D C 1.511 177.683 176.300 -0.213 0.000 0.970 180 D CA 1.331 55.258 54.000 -0.123 0.000 0.851 180 D CB -0.327 40.349 40.800 -0.207 0.000 0.943 180 D HN 0.317 nan 8.370 nan 0.000 0.488 181 Y N -0.313 119.980 120.300 -0.011 0.000 2.396 181 Y HA 0.317 4.867 4.550 0.000 0.000 0.292 181 Y C 1.146 177.038 175.900 -0.014 0.000 1.128 181 Y CA 0.075 58.159 58.100 -0.026 0.000 1.194 181 Y CB 1.282 39.717 38.460 -0.041 0.000 1.124 181 Y HN -0.181 nan 8.280 nan 0.000 0.543 182 I N 0.096 120.762 120.570 0.160 0.000 2.692 182 I HA 0.404 4.574 4.170 0.000 0.000 0.293 182 I C -1.521 174.647 176.117 0.084 0.000 1.200 182 I CA -0.817 60.542 61.300 0.098 0.000 1.036 182 I CB 1.653 39.707 38.000 0.090 0.000 1.258 182 I HN -0.092 nan 8.210 nan 0.000 0.421 183 R N 4.718 125.261 120.500 0.071 0.000 2.473 183 R HA 0.348 4.688 4.340 0.000 0.000 0.303 183 R C -0.919 175.431 176.300 0.083 0.000 1.002 183 R CA -0.546 55.595 56.100 0.068 0.000 0.884 183 R CB 2.126 32.457 30.300 0.053 0.000 1.173 183 R HN 0.612 nan 8.270 nan 0.000 0.464 184 S N 0.680 116.437 115.700 0.095 0.000 2.584 184 S HA 0.042 4.512 4.470 0.000 0.000 0.273 184 S C 1.576 176.230 174.600 0.090 0.000 1.311 184 S CA -0.353 57.933 58.200 0.143 0.000 1.034 184 S CB 1.141 64.461 63.200 0.201 0.000 0.939 184 S HN 0.688 nan 8.310 nan 0.000 0.513 185 T N 2.948 117.562 114.554 0.100 0.000 2.881 185 T HA 0.065 4.415 4.350 0.000 0.000 0.270 185 T C 0.515 175.166 174.700 -0.082 0.000 1.068 185 T CA 0.887 62.978 62.100 -0.014 0.000 1.131 185 T CB -0.556 68.257 68.868 -0.092 0.000 0.871 185 T HN 0.506 nan 8.240 nan 0.000 0.479 186 L N 1.822 122.999 121.223 -0.076 0.000 2.372 186 L HA 0.505 4.846 4.340 0.000 0.000 0.273 186 L C -0.055 176.731 176.870 -0.141 0.000 0.989 186 L CA -0.825 53.897 54.840 -0.197 0.000 0.841 186 L CB 1.583 43.387 42.059 -0.425 0.000 1.225 186 L HN -0.116 nan 8.230 nan 0.000 0.414 187 N N 2.626 121.267 118.700 -0.099 0.000 2.314 187 N HA 0.217 4.957 4.740 0.000 0.000 0.200 187 N C 0.104 175.559 175.510 -0.091 0.000 1.135 187 N CA 0.109 53.120 53.050 -0.065 0.000 0.835 187 N CB 1.159 39.630 38.487 -0.027 0.000 0.989 187 N HN 0.632 nan 8.380 nan 0.000 0.478 188 A N 0.318 123.053 122.820 -0.142 0.000 2.876 188 A HA 0.354 4.674 4.320 0.000 0.000 0.309 188 A C -0.368 177.081 177.584 -0.224 0.000 1.168 188 A CA -0.504 51.442 52.037 -0.151 0.000 0.762 188 A CB 0.399 19.333 19.000 -0.110 0.000 1.262 188 A HN -0.077 nan 8.150 nan 0.000 0.435 189 V N 3.108 122.864 119.914 -0.264 0.000 2.521 189 V HA 0.158 4.279 4.120 0.000 0.000 0.286 189 V C -2.029 173.901 176.094 -0.274 0.000 1.034 189 V CA -0.944 61.135 62.300 -0.368 0.000 1.045 189 V CB 0.736 32.357 31.823 -0.337 0.000 0.974 189 V HN 0.665 nan 8.190 nan 0.000 0.480 190 P HA 0.032 nan 4.420 nan 0.000 0.264 190 P C 0.469 177.689 177.300 -0.132 0.000 1.183 190 P CA 0.103 63.097 63.100 -0.176 0.000 0.763 190 P CB 0.493 32.095 31.700 -0.164 0.000 0.807 191 K N 2.192 122.532 120.400 -0.101 0.000 2.439 191 K HA -0.069 4.251 4.320 0.000 0.000 0.197 191 K C 0.273 176.847 176.600 -0.043 0.000 1.041 191 K CA 0.684 56.925 56.287 -0.077 0.000 0.970 191 K CB -0.134 32.320 32.500 -0.077 0.000 0.773 191 K HN 0.633 nan 8.250 nan 0.000 0.479 192 N N -4.007 114.671 118.700 -0.038 0.000 2.927 192 N HA 0.134 4.874 4.740 0.000 0.000 0.248 192 N C -0.098 175.409 175.510 -0.006 0.000 1.443 192 N CA -0.670 52.372 53.050 -0.013 0.000 0.870 192 N CB 1.135 39.615 38.487 -0.013 0.000 1.444 192 N HN -0.320 nan 8.380 nan 0.000 0.519 193 S N -0.000 115.706 115.700 0.011 0.000 2.359 193 S HA -0.238 4.232 4.470 0.000 0.000 0.222 193 S C 1.722 176.328 174.600 0.011 0.000 1.038 193 S CA 2.034 60.246 58.200 0.020 0.000 1.051 193 S CB -0.823 62.393 63.200 0.028 0.000 0.944 193 S HN 0.779 nan 8.310 nan 0.000 0.433 194 S N 1.638 117.342 115.700 0.006 0.000 2.400 194 S HA -0.094 4.376 4.470 0.000 0.000 0.232 194 S C 1.770 176.368 174.600 -0.002 0.000 1.025 194 S CA 1.135 59.337 58.200 0.004 0.000 0.993 194 S CB -0.518 62.682 63.200 0.000 0.000 0.808 194 S HN 0.309 nan 8.310 nan 0.000 0.478 195 L N 0.621 121.837 121.223 -0.013 0.000 2.131 195 L HA 0.298 4.638 4.340 0.000 0.000 0.206 195 L C 2.178 179.036 176.870 -0.022 0.000 1.087 195 L CA 1.208 56.036 54.840 -0.020 0.000 0.767 195 L CB -0.932 41.105 42.059 -0.037 0.000 0.917 195 L HN 0.387 nan 8.230 nan 0.000 0.441 196 L N 0.006 121.212 121.223 -0.029 0.000 2.017 196 L HA -0.217 4.123 4.340 0.000 0.000 0.208 196 L C 2.565 179.430 176.870 -0.009 0.000 1.073 196 L CA 2.095 56.912 54.840 -0.039 0.000 0.745 196 L CB -0.834 41.212 42.059 -0.022 0.000 0.894 196 L HN 0.363 nan 8.230 nan 0.000 0.432 197 K N -0.416 119.991 120.400 0.011 0.000 2.057 197 K HA -0.262 4.059 4.320 0.000 0.000 0.207 197 K C 2.335 178.953 176.600 0.030 0.000 1.049 197 K CA 1.766 58.069 56.287 0.026 0.000 0.931 197 K CB -0.165 32.352 32.500 0.029 0.000 0.714 197 K HN 0.347 nan 8.250 nan 0.000 0.440 198 K N 0.577 120.991 120.400 0.023 0.000 2.057 198 K HA -0.128 4.192 4.320 0.000 0.000 0.206 198 K C 2.086 178.723 176.600 0.061 0.000 1.050 198 K CA 1.744 58.049 56.287 0.030 0.000 0.935 198 K CB -0.155 32.352 32.500 0.012 0.000 0.715 198 K HN 0.257 nan 8.250 nan 0.000 0.439 199 S N 0.466 116.210 115.700 0.074 0.000 2.400 199 S HA -0.124 4.346 4.470 0.000 0.000 0.232 199 S C 0.812 175.506 174.600 0.158 0.000 1.025 199 S CA 1.222 59.526 58.200 0.174 0.000 0.993 199 S CB -0.130 63.119 63.200 0.081 0.000 0.808 199 S HN 0.308 nan 8.310 nan 0.000 0.478 200 K N -0.303 120.140 120.400 0.071 0.000 3.500 200 K HA -0.109 4.211 4.320 0.000 0.000 0.313 200 K C -0.396 176.216 176.600 0.021 0.000 1.338 200 K CA 0.771 57.100 56.287 0.070 0.000 0.963 200 K CB -2.264 30.302 32.500 0.111 0.000 1.267 200 K HN 0.545 nan 8.250 nan 0.000 0.448 201 L N 2.286 123.456 121.223 -0.088 0.000 2.334 201 L HA 0.338 4.679 4.340 0.000 0.000 0.277 201 L C -1.506 175.231 176.870 -0.220 0.000 1.075 201 L CA -1.773 52.941 54.840 -0.211 0.000 0.804 201 L CB 0.763 42.587 42.059 -0.390 0.000 1.174 201 L HN -0.112 nan 8.230 nan 0.000 0.438 202 P HA 0.146 nan 4.420 nan 0.000 0.279 202 P C -1.225 175.783 177.300 -0.487 0.000 1.252 202 P CA -0.378 62.316 63.100 -0.677 0.000 0.811 202 P CB 1.226 31.868 31.700 -1.764 0.000 1.035 203 F N 1.682 121.322 119.950 -0.517 0.000 2.366 203 F HA 0.647 5.174 4.527 0.000 0.000 0.366 203 F C -0.165 175.546 175.800 -0.149 0.000 1.096 203 F CA -0.938 56.902 58.000 -0.267 0.000 1.060 203 F CB 0.680 39.604 39.000 -0.128 0.000 1.282 203 F HN 0.476 nan 8.300 nan 0.000 0.450 204 G N 5.335 114.204 108.800 0.115 0.000 2.695 204 G HA2 0.667 4.627 3.960 0.000 0.000 0.290 204 G HA3 0.667 4.627 3.960 0.000 0.000 0.290 204 G C -2.239 172.752 174.900 0.151 0.000 1.410 204 G CA -0.863 44.337 45.100 0.167 0.000 0.844 204 G HN 0.471 nan 8.290 nan 0.000 0.478 205 L N 0.555 121.877 121.223 0.165 0.000 2.381 205 L HA 0.461 4.802 4.340 0.000 0.000 0.274 205 L C -0.500 176.440 176.870 0.116 0.000 0.988 205 L CA -1.084 53.825 54.840 0.116 0.000 0.824 205 L CB 2.340 44.432 42.059 0.056 0.000 1.263 205 L HN 0.210 nan 8.230 nan 0.000 0.410 206 V N 4.984 124.956 119.914 0.096 0.000 2.353 206 V HA 0.331 4.452 4.120 0.000 0.000 0.264 206 V C 0.295 176.421 176.094 0.053 0.000 1.049 206 V CA -0.007 62.344 62.300 0.086 0.000 0.896 206 V CB 0.817 32.682 31.823 0.071 0.000 1.025 206 V HN 0.478 nan 8.190 nan 0.000 0.475 207 I N 5.526 126.122 120.570 0.044 0.000 2.359 207 I HA 0.598 4.768 4.170 0.000 0.000 0.294 207 I C 0.270 176.464 176.117 0.128 0.000 0.987 207 I CA -0.540 60.776 61.300 0.027 0.000 1.225 207 I CB 1.475 39.388 38.000 -0.146 0.000 1.366 207 I HN 0.494 nan 8.210 nan 0.000 0.466 208 R N 7.352 127.915 120.500 0.105 0.000 2.680 208 R HA 0.327 4.667 4.340 0.000 0.000 0.278 208 R C -2.386 173.973 176.300 0.098 0.000 1.582 208 R CA -1.207 54.954 56.100 0.102 0.000 1.177 208 R CB 1.445 31.738 30.300 -0.012 0.000 1.232 208 R HN 0.245 nan 8.270 nan 0.000 0.528 209 P HA -0.152 nan 4.420 nan 0.000 0.216 209 P C -0.667 176.509 177.300 -0.207 0.000 1.153 209 P CA 1.438 64.522 63.100 -0.028 0.000 0.858 209 P CB 0.124 31.786 31.700 -0.063 0.000 0.789 210 Y N -1.954 118.392 120.300 0.077 0.000 2.468 210 Y HA 0.309 4.859 4.550 0.000 0.000 0.342 210 Y C 1.496 177.312 175.900 -0.140 0.000 1.021 210 Y CA -0.636 57.476 58.100 0.020 0.000 1.079 210 Y CB 1.355 39.840 38.460 0.042 0.000 1.226 210 Y HN -0.248 nan 8.280 nan 0.000 0.460 211 Q N 0.837 120.575 119.800 -0.103 0.000 2.317 211 Q HA 0.183 4.523 4.340 0.000 0.000 0.220 211 Q C -0.348 175.231 176.000 -0.703 0.000 0.873 211 Q CA 0.563 56.087 55.803 -0.465 0.000 0.936 211 Q CB 0.891 29.213 28.738 -0.693 0.000 1.105 211 Q HN 0.672 nan 8.270 nan 0.000 0.520 212 H N -0.856 118.256 119.070 0.069 0.000 2.980 212 H HA 0.272 4.828 4.556 0.000 0.000 0.367 212 H C 0.898 176.175 175.328 -0.085 0.000 1.206 212 H CA -0.597 55.462 56.048 0.018 0.000 1.126 212 H CB 1.480 31.280 29.762 0.064 0.000 1.838 212 H HN -0.137 nan 8.280 nan 0.000 0.552 213 L N 0.189 121.310 121.223 -0.170 0.000 2.265 213 L HA -0.080 4.260 4.340 0.000 0.000 0.215 213 L C -0.091 176.406 176.870 -0.623 0.000 1.117 213 L CA 1.428 55.958 54.840 -0.517 0.000 0.782 213 L CB -0.303 41.206 42.059 -0.916 0.000 0.914 213 L HN 0.346 nan 8.230 nan 0.000 0.441 214 Y N -1.433 118.945 120.300 0.131 0.000 2.331 214 Y HA 0.198 4.748 4.550 0.000 0.000 0.334 214 Y C 0.587 176.549 175.900 0.104 0.000 0.960 214 Y CA -1.194 56.961 58.100 0.091 0.000 1.130 214 Y CB 0.898 39.398 38.460 0.066 0.000 1.164 214 Y HN -0.146 nan 8.280 nan 0.000 0.458 215 D N 0.911 121.427 120.400 0.194 0.000 2.384 215 D HA -0.160 4.480 4.640 0.000 0.000 0.222 215 D C 1.369 177.739 176.300 0.115 0.000 0.976 215 D CA 1.191 55.286 54.000 0.158 0.000 0.915 215 D CB -0.046 40.805 40.800 0.084 0.000 0.896 215 D HN 0.708 nan 8.370 nan 0.000 0.523 216 D N 0.053 120.513 120.400 0.101 0.000 2.347 216 D HA -0.103 4.537 4.640 0.000 0.000 0.213 216 D C 0.695 177.015 176.300 0.034 0.000 0.985 216 D CA -0.017 54.010 54.000 0.044 0.000 0.879 216 D CB -0.045 40.769 40.800 0.023 0.000 0.919 216 D HN 0.204 nan 8.370 nan 0.000 0.526 217 I N 1.817 122.413 120.570 0.043 0.000 2.337 217 I HA 0.020 4.190 4.170 0.000 0.000 0.291 217 I C 0.319 176.412 176.117 -0.041 0.000 1.046 217 I CA -0.243 61.001 61.300 -0.094 0.000 1.324 217 I CB 0.548 38.353 38.000 -0.325 0.000 1.409 217 I HN -0.166 nan 8.210 nan 0.000 0.494 218 D N 4.823 125.211 120.400 -0.021 0.000 2.701 218 D HA -0.125 4.516 4.640 0.000 0.000 0.235 218 D C -1.981 174.405 176.300 0.143 0.000 1.155 218 D CA 0.138 54.184 54.000 0.076 0.000 0.649 218 D CB -0.414 40.468 40.800 0.137 0.000 1.050 218 D HN 0.303 nan 8.370 nan 0.000 0.425 219 P HA 0.236 nan 4.420 nan 0.000 0.269 219 P C -2.286 175.050 177.300 0.060 0.000 1.215 219 P CA -0.765 62.397 63.100 0.103 0.000 0.780 219 P CB 0.263 32.000 31.700 0.063 0.000 0.898 220 P HA 0.333 nan 4.420 nan 0.000 0.276 220 P C -2.442 174.810 177.300 -0.080 0.000 1.261 220 P CA -1.506 61.562 63.100 -0.053 0.000 0.800 220 P CB -0.939 30.666 31.700 -0.159 0.000 1.066 221 P HA 0.071 nan 4.420 nan 0.000 0.266 221 P C -1.006 176.206 177.300 -0.146 0.000 1.193 221 P CA 0.227 63.259 63.100 -0.114 0.000 0.770 221 P CB 0.198 31.819 31.700 -0.131 0.000 0.836 222 L N 3.339 124.490 121.223 -0.120 0.000 2.343 222 L HA 0.449 4.790 4.340 0.000 0.000 0.278 222 L C -0.583 176.215 176.870 -0.119 0.000 0.996 222 L CA -0.600 54.165 54.840 -0.125 0.000 0.831 222 L CB 0.931 42.946 42.059 -0.073 0.000 1.232 222 L HN 0.150 nan 8.230 nan 0.000 0.413 223 N N 2.806 121.408 118.700 -0.164 0.000 2.530 223 N HA 0.327 5.068 4.740 0.000 0.000 0.273 223 N C 0.208 175.712 175.510 -0.010 0.000 1.173 223 N CA 0.069 53.059 53.050 -0.100 0.000 0.967 223 N CB 1.069 39.467 38.487 -0.148 0.000 1.109 223 N HN 0.690 nan 8.380 nan 0.000 0.453 224 E N -0.456 119.749 120.200 0.008 0.000 2.568 224 E HA -0.042 4.308 4.350 0.000 0.000 0.220 224 E C -0.002 176.615 176.600 0.029 0.000 0.869 224 E CA 0.042 56.453 56.400 0.018 0.000 1.268 224 E CB 0.357 30.058 29.700 0.002 0.000 1.252 224 E HN 0.638 nan 8.360 nan 0.000 0.606 225 D N 0.560 120.979 120.400 0.032 0.000 2.350 225 D HA -0.066 4.574 4.640 0.000 0.000 0.216 225 D C 1.497 177.820 176.300 0.038 0.000 0.968 225 D CA 1.245 55.263 54.000 0.030 0.000 0.894 225 D CB -0.119 40.695 40.800 0.023 0.000 0.909 225 D HN 0.258 nan 8.370 nan 0.000 0.520 226 G N -0.318 108.515 108.800 0.055 0.000 2.225 226 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 226 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 226 G C 0.045 174.968 174.900 0.038 0.000 0.988 226 G CA 0.182 45.309 45.100 0.046 0.000 0.625 226 G HN 0.548 nan 8.290 nan 0.000 0.527 227 L N 2.500 123.752 121.223 0.049 0.000 2.456 227 L HA 0.572 4.912 4.340 0.000 0.000 0.277 227 L C 0.005 176.880 176.870 0.009 0.000 1.124 227 L CA -0.358 54.501 54.840 0.032 0.000 0.880 227 L CB 0.218 42.297 42.059 0.034 0.000 1.192 227 L HN 0.148 nan 8.230 nan 0.000 0.463 228 I N 7.387 127.922 120.570 -0.060 0.000 2.428 228 I HA 0.205 4.375 4.170 0.000 0.000 0.279 228 I C -0.377 175.687 176.117 -0.088 0.000 1.040 228 I CA -0.494 60.689 61.300 -0.195 0.000 1.171 228 I CB 1.177 39.038 38.000 -0.232 0.000 1.312 228 I HN 0.202 nan 8.210 nan 0.000 0.470 229 V N 7.504 127.379 119.914 -0.066 0.000 2.455 229 V HA 0.408 4.529 4.120 0.000 0.000 0.273 229 V C 0.596 176.667 176.094 -0.038 0.000 1.045 229 V CA -0.441 61.832 62.300 -0.046 0.000 0.976 229 V CB 0.538 32.272 31.823 -0.150 0.000 0.993 229 V HN 0.596 nan 8.190 nan 0.000 0.475 230 R N 2.583 123.128 120.500 0.075 0.000 2.744 230 R HA 0.449 4.789 4.340 0.000 0.000 0.279 230 R C -0.852 175.638 176.300 0.318 0.000 0.977 230 R CA -0.645 55.504 56.100 0.081 0.000 0.906 230 R CB 2.050 32.231 30.300 -0.199 0.000 1.197 230 R HN 0.743 nan 8.270 nan 0.000 0.463 231 C N 2.739 122.234 119.300 0.324 0.000 2.629 231 C HA 0.142 4.602 4.460 0.000 0.000 0.410 231 C C 1.914 176.892 174.990 -0.020 0.000 1.339 231 C CA -0.166 58.899 59.018 0.079 0.000 1.810 231 C CB -0.242 27.500 27.740 0.003 0.000 2.549 231 C HN 0.857 nan 8.230 nan 0.000 0.589 232 R N 2.300 122.762 120.500 -0.063 0.000 2.117 232 R HA -0.167 4.173 4.340 0.000 0.000 0.243 232 R C 2.389 178.655 176.300 -0.057 0.000 1.143 232 R CA 2.250 58.316 56.100 -0.057 0.000 0.968 232 R CB -0.182 30.079 30.300 -0.066 0.000 0.863 232 R HN 0.835 nan 8.270 nan 0.000 0.444 233 R N 0.311 120.774 120.500 -0.063 0.000 2.055 233 R HA -0.077 4.263 4.340 0.000 0.000 0.221 233 R C 2.439 178.720 176.300 -0.031 0.000 1.154 233 R CA 1.621 57.695 56.100 -0.043 0.000 0.975 233 R CB -0.199 30.077 30.300 -0.039 0.000 0.869 233 R HN 0.436 nan 8.270 nan 0.000 0.437 234 C N 0.002 119.288 119.300 -0.024 0.000 2.673 234 C HA 0.447 4.907 4.460 0.000 0.000 0.264 234 C C 0.530 175.488 174.990 -0.054 0.000 1.304 234 C CA -0.488 58.519 59.018 -0.019 0.000 1.727 234 C CB 0.098 27.847 27.740 0.015 0.000 1.932 234 C HN 0.602 nan 8.230 nan 0.000 0.563 235 R N 0.268 120.725 120.500 -0.071 0.000 3.963 235 R HA -0.130 4.210 4.340 0.000 0.000 0.394 235 R C 0.180 176.346 176.300 -0.224 0.000 1.131 235 R CA 1.034 57.053 56.100 -0.136 0.000 1.059 235 R CB -3.086 27.142 30.300 -0.120 0.000 1.614 235 R HN 0.656 nan 8.270 nan 0.000 0.546 236 S N 0.561 116.174 115.700 -0.145 0.000 2.584 236 S HA 0.347 4.817 4.470 0.000 0.000 0.270 236 S C 0.215 174.775 174.600 -0.066 0.000 1.346 236 S CA -0.100 58.002 58.200 -0.164 0.000 1.018 236 S CB 0.331 63.334 63.200 -0.328 0.000 0.899 236 S HN 0.152 nan 8.310 nan 0.000 0.542 237 Y N 0.828 121.123 120.300 -0.009 0.000 2.352 237 Y HA 0.416 4.966 4.550 0.000 0.000 0.326 237 Y C 0.519 176.430 175.900 0.018 0.000 1.166 237 Y CA -1.162 56.953 58.100 0.024 0.000 1.182 237 Y CB 0.557 39.032 38.460 0.025 0.000 1.216 237 Y HN 0.528 nan 8.280 nan 0.000 0.474 238 M N 3.943 123.552 119.600 0.014 0.000 2.240 238 M HA 0.014 4.494 4.480 0.000 0.000 0.346 238 M C -0.779 175.485 176.300 -0.060 0.000 1.236 238 M CA 0.370 55.515 55.300 -0.258 0.000 0.986 238 M CB -0.587 31.798 32.600 -0.359 0.000 1.786 238 M HN 0.867 nan 8.290 nan 0.000 0.457 239 N N 3.266 121.896 118.700 -0.117 0.000 2.934 239 N HA 0.592 5.333 4.740 0.000 0.000 0.253 239 N C -2.888 172.465 175.510 -0.261 0.000 1.466 239 N CA -1.407 51.591 53.050 -0.086 0.000 0.858 239 N CB 0.700 39.261 38.487 0.123 0.000 1.459 239 N HN 0.250 nan 8.380 nan 0.000 0.532 240 P HA -0.015 nan 4.420 nan 0.000 0.224 240 P C -0.288 176.502 177.300 -0.849 0.000 1.142 240 P CA 1.193 63.877 63.100 -0.693 0.000 0.778 240 P CB -0.116 31.044 31.700 -0.899 0.000 0.764 241 F N -2.124 117.725 119.950 -0.168 0.000 2.678 241 F HA 0.092 4.619 4.527 0.000 0.000 0.305 241 F C 1.340 176.981 175.800 -0.266 0.000 1.090 241 F CA -0.561 57.301 58.000 -0.229 0.000 1.272 241 F CB -0.440 38.358 39.000 -0.337 0.000 1.060 241 F HN -0.266 nan 8.300 nan 0.000 0.576 242 V N -1.008 118.816 119.914 -0.149 0.000 3.051 242 V HA 0.390 4.510 4.120 0.000 0.000 0.306 242 V C 0.193 176.181 176.094 -0.176 0.000 1.083 242 V CA -0.276 61.972 62.300 -0.087 0.000 1.104 242 V CB 0.952 32.743 31.823 -0.053 0.000 1.027 242 V HN 0.093 nan 8.190 nan 0.000 0.483 243 T N 4.204 118.730 114.554 -0.047 0.000 2.770 243 T HA 0.523 4.873 4.350 0.000 0.000 0.283 243 T C -0.517 174.237 174.700 0.090 0.000 0.988 243 T CA 0.032 62.121 62.100 -0.019 0.000 0.957 243 T CB 0.625 69.528 68.868 0.058 0.000 0.930 243 T HN 0.530 nan 8.240 nan 0.000 0.443 244 F N 4.200 124.235 119.950 0.141 0.000 2.438 244 F HA 0.472 4.999 4.527 0.000 0.000 0.356 244 F C 0.871 176.745 175.800 0.124 0.000 1.099 244 F CA -0.980 57.110 58.000 0.150 0.000 1.185 244 F CB 0.576 39.656 39.000 0.133 0.000 1.115 244 F HN 0.434 nan 8.300 nan 0.000 0.526 245 I N -0.777 119.997 120.570 0.339 0.000 2.957 245 I HA 0.482 4.652 4.170 0.000 0.000 0.310 245 I C -0.903 175.296 176.117 0.137 0.000 1.063 245 I CA -1.091 60.324 61.300 0.192 0.000 1.033 245 I CB 1.885 39.968 38.000 0.139 0.000 1.230 245 I HN 0.661 nan 8.210 nan 0.000 0.447 246 E N 3.567 123.823 120.200 0.094 0.000 2.560 246 E HA -0.213 4.137 4.350 0.000 0.000 0.158 246 E C -0.405 176.227 176.600 0.053 0.000 1.709 246 E CA 0.326 56.763 56.400 0.063 0.000 0.653 246 E CB -0.796 28.934 29.700 0.050 0.000 1.090 246 E HN 0.740 nan 8.360 nan 0.000 0.355 247 Q N -1.703 118.129 119.800 0.053 0.000 2.332 247 Q HA -0.311 4.029 4.340 0.000 0.000 0.222 247 Q C 0.935 176.949 176.000 0.023 0.000 0.758 247 Q CA 2.230 58.055 55.803 0.037 0.000 1.355 247 Q CB -1.792 26.958 28.738 0.021 0.000 1.705 247 Q HN 1.420 nan 8.270 nan 0.000 0.638 248 G N -0.234 108.588 108.800 0.038 0.000 2.149 248 G HA2 -0.342 3.619 3.960 0.000 0.000 0.235 248 G HA3 -0.342 3.619 3.960 0.000 0.000 0.235 248 G C 0.677 175.509 174.900 -0.113 0.000 1.018 248 G CA 0.532 45.600 45.100 -0.053 0.000 0.728 248 G HN 0.439 nan 8.290 nan 0.000 0.508 249 R N -0.959 119.532 120.500 -0.015 0.000 2.223 249 R HA 0.230 4.571 4.340 0.000 0.000 0.198 249 R C 1.364 177.694 176.300 0.050 0.000 0.984 249 R CA 0.491 56.588 56.100 -0.006 0.000 1.018 249 R CB 0.367 30.674 30.300 0.011 0.000 0.945 249 R HN 0.371 nan 8.270 nan 0.000 0.479 250 R N 0.214 120.780 120.500 0.110 0.000 2.888 250 R HA 0.344 4.684 4.340 0.000 0.000 0.264 250 R C -1.380 175.157 176.300 0.395 0.000 1.045 250 R CA -0.781 55.437 56.100 0.196 0.000 0.962 250 R CB 1.957 32.307 30.300 0.083 0.000 1.210 250 R HN 0.047 nan 8.270 nan 0.000 0.479 251 W N 0.827 122.242 121.300 0.192 0.000 2.883 251 W HA 0.525 5.186 4.660 0.000 0.000 0.335 251 W C -1.150 175.437 176.519 0.114 0.000 1.083 251 W CA -1.031 56.462 57.345 0.247 0.000 1.233 251 W CB 0.776 30.437 29.460 0.334 0.000 1.412 251 W HN 0.455 nan 8.180 nan 0.000 0.490 252 R N 3.073 123.673 120.500 0.167 0.000 2.221 252 R HA 0.398 4.738 4.340 0.000 0.000 0.327 252 R C -0.197 176.139 176.300 0.061 0.000 1.033 252 R CA -0.229 55.868 56.100 -0.006 0.000 0.887 252 R CB 0.824 31.148 30.300 0.041 0.000 1.057 252 R HN 0.672 nan 8.270 nan 0.000 0.455 253 C N 6.046 125.279 119.300 -0.112 0.000 2.633 253 C HA 0.048 4.508 4.460 0.000 0.000 0.415 253 C C 1.745 176.795 174.990 0.100 0.000 1.393 253 C CA -0.565 58.501 59.018 0.080 0.000 1.700 253 C CB -0.534 27.183 27.740 -0.038 0.000 2.541 253 C HN 1.035 nan 8.230 nan 0.000 0.603 254 N N 3.929 122.672 118.700 0.071 0.000 2.459 254 N HA -0.108 4.632 4.740 0.000 0.000 0.181 254 N C 1.048 176.401 175.510 -0.261 0.000 1.046 254 N CA 1.340 54.249 53.050 -0.235 0.000 0.904 254 N CB -0.292 37.768 38.487 -0.711 0.000 0.964 254 N HN 0.754 nan 8.380 nan 0.000 0.444 255 F N 0.995 120.948 119.950 0.005 0.000 2.262 255 F HA 0.128 4.655 4.527 0.000 0.000 0.292 255 F C 2.228 178.079 175.800 0.086 0.000 1.081 255 F CA 0.600 58.653 58.000 0.089 0.000 1.355 255 F CB -0.076 38.985 39.000 0.102 0.000 1.069 255 F HN 0.295 nan 8.300 nan 0.000 0.506 256 C N -1.178 118.259 119.300 0.228 0.000 3.525 256 C HA 0.516 4.976 4.460 0.000 0.000 0.289 256 C C 1.179 176.204 174.990 0.059 0.000 1.496 256 C CA -0.713 58.381 59.018 0.127 0.000 1.804 256 C CB -0.835 26.965 27.740 0.099 0.000 2.708 256 C HN 0.588 nan 8.230 nan 0.000 0.642 257 R N -1.290 119.239 120.500 0.048 0.000 4.016 257 R HA -0.216 4.124 4.340 0.000 0.000 0.385 257 R C 0.020 176.295 176.300 -0.042 0.000 1.158 257 R CA 0.945 57.051 56.100 0.010 0.000 1.117 257 R CB -1.890 28.427 30.300 0.027 0.000 1.635 257 R HN 0.615 nan 8.270 nan 0.000 0.560 258 L N 1.193 122.369 121.223 -0.079 0.000 2.461 258 L HA 0.344 4.685 4.340 0.000 0.000 0.272 258 L C 0.356 177.086 176.870 -0.234 0.000 1.197 258 L CA 0.516 55.274 54.840 -0.136 0.000 0.836 258 L CB 0.695 42.665 42.059 -0.148 0.000 1.105 258 L HN 0.157 nan 8.230 nan 0.000 0.477 259 A N 5.397 128.098 122.820 -0.200 0.000 2.309 259 A HA 0.522 4.842 4.320 0.000 0.000 0.290 259 A C -0.297 177.087 177.584 -0.333 0.000 1.206 259 A CA -0.583 51.316 52.037 -0.229 0.000 0.850 259 A CB -0.255 18.677 19.000 -0.114 0.000 1.118 259 A HN 0.848 nan 8.150 nan 0.000 0.523 260 N N 1.683 120.041 118.700 -0.568 0.000 2.292 260 N HA 0.284 5.024 4.740 0.000 0.000 0.303 260 N C -1.480 173.882 175.510 -0.247 0.000 1.140 260 N CA -0.646 52.056 53.050 -0.579 0.000 0.788 260 N CB 1.777 39.538 38.487 -1.210 0.000 1.361 260 N HN 0.607 nan 8.380 nan 0.000 0.489 261 D N 0.800 121.192 120.400 -0.012 0.000 2.304 261 D HA 0.150 4.790 4.640 0.000 0.000 0.250 261 D C -0.023 176.450 176.300 0.288 0.000 1.107 261 D CA -0.104 53.964 54.000 0.114 0.000 0.885 261 D CB 1.849 42.688 40.800 0.065 0.000 1.192 261 D HN 0.057 nan 8.370 nan 0.000 0.436 262 V N 4.225 124.288 119.914 0.248 0.000 2.408 262 V HA 0.156 4.276 4.120 0.000 0.000 0.267 262 V C -1.886 174.254 176.094 0.076 0.000 1.047 262 V CA -1.332 61.080 62.300 0.186 0.000 0.937 262 V CB 0.679 32.518 31.823 0.027 0.000 0.999 262 V HN 0.368 nan 8.190 nan 0.000 0.472 263 P HA 0.109 nan 4.420 nan 0.000 0.268 263 P C 0.897 178.196 177.300 -0.002 0.000 1.204 263 P CA -0.088 63.032 63.100 0.033 0.000 0.768 263 P CB 0.507 32.225 31.700 0.031 0.000 0.842 264 M N 2.156 121.755 119.600 -0.001 0.000 2.346 264 M HA -0.248 4.232 4.480 0.000 0.000 0.263 264 M C 1.615 177.904 176.300 -0.017 0.000 1.064 264 M CA 1.727 57.020 55.300 -0.013 0.000 1.083 264 M CB -0.153 32.443 32.600 -0.006 0.000 1.399 264 M HN 0.415 nan 8.290 nan 0.000 0.435 265 Q N -0.024 119.770 119.800 -0.010 0.000 2.061 265 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 265 Q C 2.043 178.030 176.000 -0.022 0.000 0.984 265 Q CA 1.893 57.690 55.803 -0.010 0.000 0.846 265 Q CB -0.252 28.485 28.738 -0.001 0.000 0.902 265 Q HN 0.595 nan 8.270 nan 0.000 0.421 266 M N 0.723 120.302 119.600 -0.036 0.000 2.195 266 M HA -0.219 4.261 4.480 0.000 0.000 0.254 266 M C 0.380 176.644 176.300 -0.059 0.000 1.083 266 M CA 1.370 56.635 55.300 -0.059 0.000 1.069 266 M CB -0.576 31.962 32.600 -0.103 0.000 1.364 266 M HN 0.150 nan 8.290 nan 0.000 0.403 267 D N 0.262 120.631 120.400 -0.051 0.000 2.615 267 D HA 0.192 4.832 4.640 0.000 0.000 0.236 267 D C 0.505 176.794 176.300 -0.019 0.000 1.233 267 D CA 0.078 54.056 54.000 -0.037 0.000 0.829 267 D CB 0.344 41.117 40.800 -0.045 0.000 1.024 267 D HN 0.479 nan 8.370 nan 0.000 0.490 275 K N 0.586 120.992 120.400 0.010 0.000 2.532 275 K HA 0.808 5.128 4.320 0.000 0.000 0.265 275 K C -0.480 176.134 176.600 0.024 0.000 0.948 275 K CA -0.881 55.416 56.287 0.017 0.000 0.842 275 K CB 2.516 35.023 32.500 0.011 0.000 1.392 275 K HN 0.474 nan 8.250 nan 0.000 0.436 276 S N -0.249 115.480 115.700 0.049 0.000 2.747 276 S HA 0.299 4.769 4.470 0.000 0.000 0.300 276 S C 1.045 175.675 174.600 0.051 0.000 1.121 276 S CA -0.878 57.364 58.200 0.069 0.000 0.995 276 S CB 1.436 64.722 63.200 0.144 0.000 1.113 276 S HN 0.809 nan 8.310 nan 0.000 0.547 277 R N -0.547 119.955 120.500 0.003 0.000 2.159 277 R HA -0.134 4.206 4.340 0.000 0.000 0.237 277 R C 0.942 177.158 176.300 -0.142 0.000 1.131 277 R CA 1.645 57.678 56.100 -0.112 0.000 0.982 277 R CB -1.049 29.103 30.300 -0.247 0.000 0.868 277 R HN 0.719 nan 8.270 nan 0.000 0.453 278 Y N 1.237 121.556 120.300 0.031 0.000 2.632 278 Y HA -0.007 4.544 4.550 0.000 0.000 0.301 278 Y C 1.374 177.271 175.900 -0.006 0.000 1.172 278 Y CA 0.737 58.853 58.100 0.027 0.000 1.328 278 Y CB 0.111 38.590 38.460 0.031 0.000 1.016 278 Y HN 0.146 nan 8.280 nan 0.000 0.529 279 D N -0.277 120.175 120.400 0.087 0.000 2.360 279 D HA 0.040 4.680 4.640 0.000 0.000 0.210 279 D C 0.342 176.637 176.300 -0.008 0.000 1.047 279 D CA 0.218 54.241 54.000 0.038 0.000 0.854 279 D CB 0.238 41.056 40.800 0.029 0.000 0.936 279 D HN 0.278 nan 8.370 nan 0.000 0.514 280 R N 1.484 121.965 120.500 -0.032 0.000 2.438 280 R HA 0.153 4.493 4.340 0.000 0.000 0.287 280 R C 1.266 177.510 176.300 -0.093 0.000 1.077 280 R CA -0.342 55.721 56.100 -0.062 0.000 1.034 280 R CB 0.655 30.916 30.300 -0.065 0.000 0.993 280 R HN -0.045 nan 8.270 nan 0.000 0.459 281 N N 2.802 121.430 118.700 -0.120 0.000 2.137 281 N HA -0.221 4.520 4.740 0.000 0.000 0.190 281 N C 1.384 176.778 175.510 -0.194 0.000 1.017 281 N CA 1.533 54.487 53.050 -0.161 0.000 0.859 281 N CB 0.015 38.378 38.487 -0.206 0.000 1.002 281 N HN 0.670 nan 8.380 nan 0.000 0.428 282 E N 0.808 120.884 120.200 -0.207 0.000 2.338 282 E HA -0.102 4.248 4.350 0.000 0.000 0.197 282 E C 1.740 178.244 176.600 -0.159 0.000 1.007 282 E CA 0.688 56.981 56.400 -0.178 0.000 0.849 282 E CB -0.238 29.428 29.700 -0.057 0.000 0.774 282 E HN 0.449 nan 8.360 nan 0.000 0.506 283 I N 0.088 120.560 120.570 -0.162 0.000 3.265 283 I HA -0.027 4.143 4.170 0.000 0.000 0.282 283 I C 2.234 178.251 176.117 -0.168 0.000 1.207 283 I CA 0.217 61.401 61.300 -0.194 0.000 1.449 283 I CB 0.186 38.064 38.000 -0.202 0.000 1.121 283 I HN -0.037 nan 8.210 nan 0.000 0.442 284 K N -0.077 120.246 120.400 -0.129 0.000 2.186 284 K HA 0.098 4.418 4.320 0.000 0.000 0.202 284 K C 0.293 176.816 176.600 -0.127 0.000 1.052 284 K CA 0.550 56.775 56.287 -0.103 0.000 0.965 284 K CB 0.284 32.742 32.500 -0.070 0.000 0.746 284 K HN 0.282 nan 8.250 nan 0.000 0.457 285 C N -0.265 118.946 119.300 -0.148 0.000 2.561 285 C HA 0.524 4.984 4.460 0.000 0.000 0.319 285 C C 1.452 176.353 174.990 -0.148 0.000 1.198 285 C CA -1.143 57.789 59.018 -0.143 0.000 1.665 285 C CB 1.371 29.023 27.740 -0.146 0.000 2.258 285 C HN 0.389 nan 8.230 nan 0.000 0.493 286 A N 1.582 124.338 122.820 -0.106 0.000 1.898 286 A HA 0.180 4.500 4.320 0.000 0.000 0.214 286 A C 0.700 178.220 177.584 -0.107 0.000 1.183 286 A CA 1.255 53.267 52.037 -0.043 0.000 0.622 286 A CB -0.181 18.852 19.000 0.055 0.000 0.824 286 A HN 0.719 nan 8.150 nan 0.000 0.444 287 V N 1.503 121.302 119.914 -0.191 0.000 2.334 287 V HA 0.572 4.692 4.120 0.000 0.000 0.281 287 V C -0.308 175.592 176.094 -0.324 0.000 1.016 287 V CA -0.040 62.054 62.300 -0.343 0.000 0.832 287 V CB 0.447 31.901 31.823 -0.614 0.000 0.999 287 V HN 0.703 nan 8.190 nan 0.000 0.439 288 M N 2.973 122.376 119.600 -0.328 0.000 3.008 288 M HA 0.786 5.266 4.480 0.000 0.000 0.271 288 M C -1.038 175.046 176.300 -0.360 0.000 1.265 288 M CA -0.710 54.390 55.300 -0.332 0.000 0.817 288 M CB 1.823 34.211 32.600 -0.352 0.000 1.638 288 M HN 0.352 nan 8.290 nan 0.000 0.479 289 E N -0.667 119.305 120.200 -0.380 0.000 2.383 289 E HA 0.699 5.049 4.350 0.000 0.000 0.275 289 E C -2.104 174.296 176.600 -0.333 0.000 0.918 289 E CA -0.617 55.605 56.400 -0.297 0.000 0.764 289 E CB 2.102 31.698 29.700 -0.173 0.000 1.252 289 E HN 0.661 nan 8.360 nan 0.000 0.449 290 Y N 0.871 121.081 120.300 -0.151 0.000 2.562 290 Y HA 0.435 4.985 4.550 0.000 0.000 0.343 290 Y C 0.081 175.911 175.900 -0.116 0.000 1.025 290 Y CA -1.248 56.777 58.100 -0.126 0.000 1.082 290 Y CB 1.400 39.777 38.460 -0.139 0.000 1.264 290 Y HN 0.312 nan 8.280 nan 0.000 0.478 291 M N 2.303 121.963 119.600 0.100 0.000 2.108 291 M HA 0.366 4.846 4.480 0.000 0.000 0.347 291 M C -0.096 176.200 176.300 -0.006 0.000 1.326 291 M CA -0.697 54.621 55.300 0.030 0.000 1.126 291 M CB 0.366 32.983 32.600 0.028 0.000 1.606 291 M HN 0.816 nan 8.290 nan 0.000 0.462 292 A N 7.171 129.954 122.820 -0.061 0.000 2.488 292 A HA 0.521 4.842 4.320 0.000 0.000 0.249 292 A C -2.153 175.431 177.584 -0.001 0.000 1.083 292 A CA -0.843 51.104 52.037 -0.150 0.000 0.768 292 A CB -0.615 18.267 19.000 -0.197 0.000 1.017 292 A HN 0.486 nan 8.150 nan 0.000 0.496 293 P HA 0.116 nan 4.420 nan 0.000 0.274 293 P C 0.807 178.214 177.300 0.178 0.000 1.260 293 P CA -0.441 62.742 63.100 0.139 0.000 0.793 293 P CB 0.566 32.370 31.700 0.174 0.000 1.048 294 K N 1.377 121.842 120.400 0.110 0.000 2.113 294 K HA -0.217 4.103 4.320 0.000 0.000 0.208 294 K C 1.188 177.836 176.600 0.079 0.000 1.047 294 K CA 1.662 57.998 56.287 0.082 0.000 0.928 294 K CB -0.614 31.913 32.500 0.046 0.000 0.716 294 K HN 0.424 nan 8.250 nan 0.000 0.446 295 E N 0.547 120.782 120.200 0.058 0.000 2.515 295 E HA -0.178 4.172 4.350 0.000 0.000 0.201 295 E C 0.419 176.946 176.600 -0.122 0.000 1.071 295 E CA 0.771 57.142 56.400 -0.050 0.000 0.880 295 E CB -0.311 29.311 29.700 -0.130 0.000 0.828 295 E HN 0.605 nan 8.360 nan 0.000 0.540 296 Y N 1.404 121.705 120.300 0.003 0.000 2.485 296 Y HA 0.144 4.694 4.550 0.000 0.000 0.260 296 Y C 0.781 176.689 175.900 0.013 0.000 1.173 296 Y CA 0.280 58.386 58.100 0.010 0.000 1.252 296 Y CB 0.778 39.248 38.460 0.017 0.000 1.123 296 Y HN 0.053 nan 8.280 nan 0.000 0.524 297 T N -3.288 111.339 114.554 0.122 0.000 2.909 297 T HA 0.502 4.853 4.350 0.000 0.000 0.299 297 T C 0.129 174.852 174.700 0.040 0.000 1.073 297 T CA -0.649 61.499 62.100 0.079 0.000 0.999 297 T CB 1.546 70.459 68.868 0.075 0.000 1.098 297 T HN 0.096 nan 8.240 nan 0.000 0.477 298 L N 0.333 121.574 121.223 0.029 0.000 2.577 298 L HA 0.410 4.751 4.340 0.000 0.000 0.225 298 L C 1.075 177.953 176.870 0.014 0.000 1.053 298 L CA -0.285 54.563 54.840 0.014 0.000 0.866 298 L CB 0.219 42.282 42.059 0.008 0.000 1.132 298 L HN 0.723 nan 8.230 nan 0.000 0.486 299 R N -0.206 120.305 120.500 0.018 0.000 2.673 299 R HA 0.423 4.763 4.340 0.000 0.000 0.281 299 R C -0.971 175.341 176.300 0.021 0.000 0.991 299 R CA -0.753 55.356 56.100 0.015 0.000 0.896 299 R CB 1.120 31.425 30.300 0.008 0.000 1.201 299 R HN -0.075 nan 8.270 nan 0.000 0.457 300 Q N 2.352 122.163 119.800 0.019 0.000 2.310 300 Q HA 0.039 4.380 4.340 0.000 0.000 0.315 300 Q C -1.949 174.066 176.000 0.024 0.000 1.081 300 Q CA -0.926 54.890 55.803 0.022 0.000 0.981 300 Q CB -0.038 28.711 28.738 0.019 0.000 1.184 300 Q HN 0.394 nan 8.270 nan 0.000 0.389 301 P HA -0.074 nan 4.420 nan 0.000 0.263 301 P C -2.371 174.946 177.300 0.028 0.000 1.175 301 P CA -0.411 62.708 63.100 0.032 0.000 0.761 301 P CB 0.021 31.741 31.700 0.033 0.000 0.794 302 P HA 0.374 nan 4.420 nan 0.000 0.278 302 P C -2.573 174.747 177.300 0.034 0.000 1.266 302 P CA -1.839 61.278 63.100 0.028 0.000 0.807 302 P CB -0.283 31.431 31.700 0.024 0.000 1.094 303 P HA 0.300 nan 4.420 nan 0.000 0.282 303 P C -0.960 176.370 177.300 0.050 0.000 1.259 303 P CA -0.630 62.495 63.100 0.041 0.000 0.826 303 P CB 0.454 32.181 31.700 0.045 0.000 1.064 304 A N 1.520 124.369 122.820 0.047 0.000 2.484 304 A HA 0.379 4.699 4.320 0.000 0.000 0.268 304 A C 0.072 177.724 177.584 0.114 0.000 1.114 304 A CA 0.607 52.672 52.037 0.047 0.000 0.780 304 A CB -0.874 18.124 19.000 -0.004 0.000 1.061 304 A HN 0.453 nan 8.150 nan 0.000 0.505 305 T N 3.072 117.644 114.554 0.030 0.000 2.797 305 T HA 0.568 4.918 4.350 0.000 0.000 0.279 305 T C -1.131 173.528 174.700 -0.068 0.000 0.991 305 T CA 0.155 62.292 62.100 0.062 0.000 0.979 305 T CB 0.424 69.311 68.868 0.032 0.000 0.943 305 T HN 0.426 nan 8.240 nan 0.000 0.444 306 Y N 0.752 121.087 120.300 0.059 0.000 2.425 306 Y HA 0.570 5.120 4.550 0.000 0.000 0.344 306 Y C 0.055 175.926 175.900 -0.048 0.000 0.969 306 Y CA -1.186 56.876 58.100 -0.064 0.000 1.052 306 Y CB 1.703 40.101 38.460 -0.103 0.000 1.215 306 Y HN 0.698 nan 8.280 nan 0.000 0.451 307 C N 5.646 124.942 119.300 -0.006 0.000 2.407 307 C HA 0.616 5.076 4.460 0.000 0.000 0.328 307 C C -1.253 173.766 174.990 0.048 0.000 1.137 307 C CA -1.096 57.985 59.018 0.106 0.000 1.390 307 C CB -1.702 26.113 27.740 0.124 0.000 1.989 307 C HN 0.683 nan 8.230 nan 0.000 0.432 308 F N 5.694 125.788 119.950 0.239 0.000 2.421 308 F HA 0.407 4.935 4.527 0.000 0.000 0.358 308 F C 0.413 176.342 175.800 0.215 0.000 1.115 308 F CA -0.315 57.836 58.000 0.252 0.000 1.160 308 F CB 0.881 40.025 39.000 0.240 0.000 1.123 308 F HN 0.460 nan 8.300 nan 0.000 0.508 309 L N 6.240 127.678 121.223 0.358 0.000 2.270 309 L HA 0.521 4.861 4.340 0.000 0.000 0.286 309 L C -0.864 176.193 176.870 0.312 0.000 1.059 309 L CA -0.206 54.805 54.840 0.285 0.000 0.839 309 L CB 0.021 42.226 42.059 0.244 0.000 1.221 309 L HN 0.534 nan 8.230 nan 0.000 0.431 310 I N 3.692 124.423 120.570 0.268 0.000 2.377 310 I HA 0.209 4.380 4.170 0.000 0.000 0.293 310 I C -0.338 175.893 176.117 0.190 0.000 0.987 310 I CA -0.695 60.723 61.300 0.196 0.000 1.185 310 I CB 1.734 39.812 38.000 0.130 0.000 1.341 310 I HN 0.496 nan 8.210 nan 0.000 0.455 311 D N 5.989 126.440 120.400 0.085 0.000 2.339 311 D HA 0.156 4.796 4.640 0.000 0.000 0.256 311 D C 0.549 176.791 176.300 -0.098 0.000 1.214 311 D CA -0.217 53.764 54.000 -0.032 0.000 0.877 311 D CB 1.236 41.628 40.800 -0.679 0.000 1.111 311 D HN 0.338 nan 8.370 nan 0.000 0.478 312 V N 1.634 121.488 119.914 -0.099 0.000 3.176 312 V HA 0.249 4.370 4.120 0.000 0.000 0.332 312 V C 0.718 176.709 176.094 -0.172 0.000 1.414 312 V CA 0.038 62.191 62.300 -0.246 0.000 1.133 312 V CB -0.929 30.449 31.823 -0.742 0.000 1.088 312 V HN 0.475 nan 8.190 nan 0.000 0.473 313 S N -0.507 115.154 115.700 -0.065 0.000 2.606 313 S HA 0.095 4.565 4.470 0.000 0.000 0.257 313 S C 1.141 175.731 174.600 -0.017 0.000 1.327 313 S CA 0.652 58.848 58.200 -0.006 0.000 0.984 313 S CB 0.937 64.165 63.200 0.046 0.000 0.941 313 S HN 0.533 nan 8.310 nan 0.000 0.576 314 Q N 0.442 120.249 119.800 0.011 0.000 2.135 314 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 314 Q C 2.145 178.143 176.000 -0.004 0.000 0.981 314 Q CA 1.919 57.730 55.803 0.014 0.000 0.856 314 Q CB -0.489 28.265 28.738 0.026 0.000 0.902 314 Q HN 0.867 nan 8.270 nan 0.000 0.425 315 S N -0.043 115.647 115.700 -0.016 0.000 2.400 315 S HA -0.154 4.316 4.470 0.000 0.000 0.232 315 S C 1.896 176.470 174.600 -0.042 0.000 1.025 315 S CA 1.243 59.428 58.200 -0.024 0.000 0.993 315 S CB -0.262 62.917 63.200 -0.035 0.000 0.808 315 S HN 0.352 nan 8.310 nan 0.000 0.478 316 S N 0.738 116.393 115.700 -0.074 0.000 2.387 316 S HA -0.008 4.463 4.470 0.000 0.000 0.226 316 S C 1.780 176.349 174.600 -0.051 0.000 1.026 316 S CA 0.555 58.695 58.200 -0.099 0.000 0.972 316 S CB -0.289 62.822 63.200 -0.149 0.000 0.814 316 S HN 0.314 nan 8.310 nan 0.000 0.477 317 I N 1.888 122.444 120.570 -0.022 0.000 2.113 317 I HA -0.116 4.054 4.170 0.000 0.000 0.238 317 I C 2.361 178.480 176.117 0.004 0.000 1.070 317 I CA 1.468 62.771 61.300 0.005 0.000 1.332 317 I CB -1.483 36.534 38.000 0.029 0.000 1.044 317 I HN 0.315 nan 8.210 nan 0.000 0.402 318 K N 1.168 121.570 120.400 0.003 0.000 2.074 318 K HA -0.174 4.146 4.320 0.000 0.000 0.209 318 K C 2.207 178.806 176.600 -0.002 0.000 1.048 318 K CA 2.087 58.374 56.287 0.001 0.000 0.926 318 K CB -0.257 32.245 32.500 0.002 0.000 0.713 318 K HN 0.447 nan 8.250 nan 0.000 0.444 319 S N -0.759 114.949 115.700 0.012 0.000 2.453 319 S HA -0.002 4.468 4.470 0.000 0.000 0.231 319 S C 1.539 176.178 174.600 0.065 0.000 1.005 319 S CA 0.911 59.134 58.200 0.038 0.000 0.949 319 S CB 0.072 63.346 63.200 0.124 0.000 0.774 319 S HN 0.492 nan 8.310 nan 0.000 0.510 320 G N 0.590 109.421 108.800 0.051 0.000 2.175 320 G HA2 -0.254 3.707 3.960 0.000 0.000 0.244 320 G HA3 -0.254 3.707 3.960 0.000 0.000 0.244 320 G C 0.484 175.424 174.900 0.067 0.000 0.982 320 G CA 0.353 45.482 45.100 0.049 0.000 0.641 320 G HN 0.598 nan 8.290 nan 0.000 0.527 321 L N 0.335 121.574 121.223 0.027 0.000 2.012 321 L HA 0.145 4.485 4.340 0.000 0.000 0.210 321 L C 2.586 179.303 176.870 -0.256 0.000 1.073 321 L CA 2.971 57.634 54.840 -0.294 0.000 0.748 321 L CB -0.460 41.305 42.059 -0.489 0.000 0.891 321 L HN 0.475 nan 8.230 nan 0.000 0.431 322 L N -0.305 120.830 121.223 -0.147 0.000 2.046 322 L HA -0.101 4.239 4.340 0.000 0.000 0.208 322 L C 2.476 179.307 176.870 -0.064 0.000 1.077 322 L CA 2.131 56.913 54.840 -0.097 0.000 0.747 322 L CB -1.105 40.931 42.059 -0.037 0.000 0.896 322 L HN 0.276 nan 8.230 nan 0.000 0.432 323 A N -1.340 121.457 122.820 -0.038 0.000 1.858 323 A HA -0.210 4.110 4.320 0.000 0.000 0.216 323 A C 2.266 179.834 177.584 -0.026 0.000 1.190 323 A CA 2.423 54.447 52.037 -0.021 0.000 0.617 323 A CB -1.365 17.630 19.000 -0.007 0.000 0.827 323 A HN 0.512 nan 8.150 nan 0.000 0.443 324 T N 0.006 114.550 114.554 -0.017 0.000 2.759 324 T HA -0.138 4.213 4.350 0.000 0.000 0.269 324 T C 1.949 176.650 174.700 0.002 0.000 1.042 324 T CA 2.012 64.124 62.100 0.020 0.000 1.140 324 T CB -0.572 68.347 68.868 0.087 0.000 0.864 324 T HN 0.594 nan 8.240 nan 0.000 0.455 325 T N 2.244 116.754 114.554 -0.074 0.000 2.812 325 T HA 0.036 4.386 4.350 0.000 0.000 0.264 325 T C 1.964 176.608 174.700 -0.093 0.000 1.042 325 T CA 0.583 62.599 62.100 -0.140 0.000 1.140 325 T CB -0.206 68.519 68.868 -0.239 0.000 0.870 325 T HN 0.192 nan 8.240 nan 0.000 0.445 326 I N 2.346 122.870 120.570 -0.077 0.000 2.179 326 I HA -0.132 4.038 4.170 0.000 0.000 0.242 326 I C 2.221 178.300 176.117 -0.063 0.000 1.088 326 I CA 1.273 62.529 61.300 -0.073 0.000 1.357 326 I CB -1.368 36.598 38.000 -0.055 0.000 1.051 326 I HN 0.201 nan 8.210 nan 0.000 0.409 327 N N 0.857 119.532 118.700 -0.043 0.000 2.043 327 N HA -0.156 4.585 4.740 0.000 0.000 0.193 327 N C 1.851 177.341 175.510 -0.033 0.000 1.037 327 N CA 2.087 55.116 53.050 -0.035 0.000 0.851 327 N CB -0.781 37.693 38.487 -0.021 0.000 1.027 327 N HN 0.341 nan 8.380 nan 0.000 0.422 328 T N 1.767 116.314 114.554 -0.012 0.000 2.720 328 T HA -0.055 4.295 4.350 0.000 0.000 0.268 328 T C 2.146 176.839 174.700 -0.011 0.000 1.037 328 T CA 0.735 62.840 62.100 0.009 0.000 1.144 328 T CB -0.360 68.555 68.868 0.078 0.000 0.864 328 T HN 0.136 nan 8.240 nan 0.000 0.444 329 L N 0.135 121.344 121.223 -0.023 0.000 2.017 329 L HA -0.087 4.253 4.340 0.000 0.000 0.208 329 L C 2.456 179.250 176.870 -0.127 0.000 1.073 329 L CA 0.778 55.545 54.840 -0.122 0.000 0.745 329 L CB -0.513 41.411 42.059 -0.224 0.000 0.894 329 L HN 0.203 nan 8.230 nan 0.000 0.432 330 L N -0.353 120.809 121.223 -0.101 0.000 2.079 330 L HA -0.254 4.086 4.340 0.000 0.000 0.210 330 L C 2.445 179.270 176.870 -0.076 0.000 1.081 330 L CA 1.793 56.581 54.840 -0.088 0.000 0.752 330 L CB -0.816 41.200 42.059 -0.072 0.000 0.896 330 L HN 0.350 nan 8.230 nan 0.000 0.433 331 Q N -1.442 118.318 119.800 -0.067 0.000 2.425 331 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 331 Q C 0.727 176.685 176.000 -0.069 0.000 0.933 331 Q CA 0.383 56.149 55.803 -0.060 0.000 0.939 331 Q CB 0.241 28.949 28.738 -0.050 0.000 1.044 331 Q HN 0.570 nan 8.270 nan 0.000 0.513 332 N N -0.505 118.143 118.700 -0.086 0.000 2.194 332 N HA 0.140 4.880 4.740 0.000 0.000 0.231 332 N C 0.937 176.376 175.510 -0.120 0.000 1.247 332 N CA 0.061 53.052 53.050 -0.098 0.000 0.884 332 N CB 0.810 39.235 38.487 -0.102 0.000 1.146 332 N HN 0.167 nan 8.380 nan 0.000 0.516 333 L N 0.711 121.862 121.223 -0.121 0.000 2.189 333 L HA -0.163 4.177 4.340 0.000 0.000 0.214 333 L C 1.115 177.914 176.870 -0.119 0.000 1.097 333 L CA 1.356 56.119 54.840 -0.129 0.000 0.764 333 L CB -0.116 41.877 42.059 -0.110 0.000 0.900 333 L HN 0.059 nan 8.230 nan 0.000 0.436 334 D N -1.459 118.879 120.400 -0.103 0.000 2.339 334 D HA 0.011 4.651 4.640 0.000 0.000 0.217 334 D C 1.921 178.156 176.300 -0.108 0.000 1.050 334 D CA 0.387 54.327 54.000 -0.099 0.000 0.856 334 D CB 0.564 41.315 40.800 -0.081 0.000 0.922 334 D HN 0.226 nan 8.370 nan 0.000 0.518 335 S N 0.334 115.967 115.700 -0.111 0.000 2.458 335 S HA 0.109 4.579 4.470 0.000 0.000 0.223 335 S C 1.232 175.767 174.600 -0.110 0.000 1.019 335 S CA -0.154 57.985 58.200 -0.101 0.000 0.937 335 S CB 0.747 63.898 63.200 -0.081 0.000 0.788 335 S HN 0.208 nan 8.310 nan 0.000 0.511 336 I N 3.504 123.982 120.570 -0.153 0.000 2.683 336 I HA 0.085 4.256 4.170 0.000 0.000 0.286 336 I C -2.439 173.561 176.117 -0.196 0.000 1.175 336 I CA -1.891 59.287 61.300 -0.203 0.000 1.429 336 I CB 0.149 37.950 38.000 -0.333 0.000 1.371 336 I HN -0.056 nan 8.210 nan 0.000 0.569 337 P HA 0.015 nan 4.420 nan 0.000 0.266 337 P C -0.290 176.818 177.300 -0.320 0.000 1.195 337 P CA 0.170 63.058 63.100 -0.353 0.000 0.768 337 P CB 0.388 31.893 31.700 -0.325 0.000 0.838 338 N N 1.149 119.590 118.700 -0.431 0.000 2.605 338 N HA 0.021 4.761 4.740 0.000 0.000 0.265 338 N C 0.502 175.893 175.510 -0.197 0.000 1.625 338 N CA -0.034 52.884 53.050 -0.220 0.000 0.862 338 N CB -0.168 38.239 38.487 -0.132 0.000 1.415 338 N HN 0.347 nan 8.380 nan 0.000 0.513 339 H N -0.199 118.852 119.070 -0.031 0.000 2.421 339 H HA -0.061 4.495 4.556 0.000 0.000 0.298 339 H C 0.345 175.663 175.328 -0.017 0.000 1.087 339 H CA 1.550 57.582 56.048 -0.026 0.000 1.330 339 H CB 0.344 30.089 29.762 -0.029 0.000 1.388 339 H HN 0.494 nan 8.280 nan 0.000 0.526 340 D N -0.234 120.217 120.400 0.085 0.000 2.402 340 D HA 0.001 4.641 4.640 0.000 0.000 0.216 340 D C 0.347 176.663 176.300 0.026 0.000 1.128 340 D CA -0.053 53.978 54.000 0.052 0.000 0.833 340 D CB -0.204 40.625 40.800 0.048 0.000 0.971 340 D HN 0.318 nan 8.370 nan 0.000 0.503 341 E N -0.417 119.789 120.200 0.010 0.000 3.426 341 E HA -0.305 4.046 4.350 0.000 0.000 0.291 341 E C 1.001 177.607 176.600 0.010 0.000 0.898 341 E CA 0.656 57.057 56.400 0.001 0.000 0.970 341 E CB -1.092 28.611 29.700 0.005 0.000 1.489 341 E HN 0.429 nan 8.360 nan 0.000 0.461 342 R N 0.314 120.824 120.500 0.017 0.000 2.265 342 R HA 0.060 4.400 4.340 0.000 0.000 0.194 342 R C 0.500 176.826 176.300 0.043 0.000 0.931 342 R CA 0.290 56.407 56.100 0.028 0.000 1.032 342 R CB 0.277 30.595 30.300 0.031 0.000 0.980 342 R HN -0.010 nan 8.270 nan 0.000 0.497 343 T N 2.517 117.097 114.554 0.043 0.000 2.819 343 T HA -0.072 4.278 4.350 0.000 0.000 0.282 343 T C 0.326 175.092 174.700 0.111 0.000 1.013 343 T CA 0.986 63.141 62.100 0.091 0.000 1.159 343 T CB 0.249 69.163 68.868 0.076 0.000 1.007 343 T HN 0.136 nan 8.240 nan 0.000 0.514 344 R N 2.379 122.976 120.500 0.162 0.000 2.664 344 R HA 0.739 5.080 4.340 0.000 0.000 0.286 344 R C -0.300 176.143 176.300 0.238 0.000 0.967 344 R CA -0.801 55.393 56.100 0.157 0.000 0.933 344 R CB 1.978 32.351 30.300 0.121 0.000 1.146 344 R HN 0.579 nan 8.270 nan 0.000 0.468 345 I N -0.133 120.564 120.570 0.212 0.000 3.108 345 I HA 0.528 4.698 4.170 0.000 0.000 0.312 345 I C -1.089 175.184 176.117 0.259 0.000 1.095 345 I CA -0.485 60.985 61.300 0.284 0.000 1.000 345 I CB 2.372 40.523 38.000 0.250 0.000 1.229 345 I HN 0.587 nan 8.210 nan 0.000 0.454 346 S N 4.652 120.550 115.700 0.330 0.000 2.537 346 S HA 0.667 5.138 4.470 0.000 0.000 0.271 346 S C -1.495 173.324 174.600 0.365 0.000 1.148 346 S CA -0.572 57.807 58.200 0.299 0.000 0.868 346 S CB 1.423 64.778 63.200 0.258 0.000 1.115 346 S HN 0.437 nan 8.310 nan 0.000 0.461 347 I N 3.534 124.292 120.570 0.314 0.000 2.499 347 I HA 0.479 4.649 4.170 0.000 0.000 0.288 347 I C -1.165 175.158 176.117 0.342 0.000 1.048 347 I CA -0.581 60.901 61.300 0.303 0.000 1.062 347 I CB 1.872 39.943 38.000 0.118 0.000 1.238 347 I HN 0.434 nan 8.210 nan 0.000 0.426 348 L N 5.808 127.199 121.223 0.279 0.000 2.342 348 L HA 0.476 4.816 4.340 0.000 0.000 0.276 348 L C -0.894 176.114 176.870 0.231 0.000 0.997 348 L CA -0.467 54.477 54.840 0.172 0.000 0.838 348 L CB 1.744 43.819 42.059 0.026 0.000 1.224 348 L HN 0.642 nan 8.230 nan 0.000 0.416 349 C N 3.540 123.042 119.300 0.337 0.000 2.369 349 C HA 0.660 5.120 4.460 0.000 0.000 0.358 349 C C 0.275 175.366 174.990 0.169 0.000 1.274 349 C CA -0.588 58.590 59.018 0.267 0.000 1.935 349 C CB 1.057 29.040 27.740 0.405 0.000 2.431 349 C HN 0.475 nan 8.230 nan 0.000 0.545 350 V N 4.434 124.415 119.914 0.113 0.000 2.623 350 V HA 0.452 4.572 4.120 0.000 0.000 0.304 350 V C -0.458 175.719 176.094 0.137 0.000 1.054 350 V CA -0.379 61.954 62.300 0.054 0.000 0.882 350 V CB 1.766 33.555 31.823 -0.057 0.000 1.002 350 V HN 1.008 nan 8.190 nan 0.000 0.424 351 D N 2.717 123.148 120.400 0.053 0.000 3.438 351 D HA 0.090 4.731 4.640 0.000 0.000 0.170 351 D C 1.032 177.343 176.300 0.018 0.000 1.164 351 D CA 0.412 54.473 54.000 0.102 0.000 1.482 351 D CB 0.003 40.860 40.800 0.095 0.000 1.147 351 D HN 0.444 nan 8.370 nan 0.000 0.187 352 N N 0.021 118.735 118.700 0.022 0.000 2.422 352 N HA 0.268 5.008 4.740 0.000 0.000 0.181 352 N C 0.131 175.592 175.510 -0.082 0.000 1.080 352 N CA -0.059 52.978 53.050 -0.022 0.000 0.893 352 N CB 0.569 39.065 38.487 0.015 0.000 0.973 352 N HN 0.381 nan 8.380 nan 0.000 0.456 353 A N 0.730 123.465 122.820 -0.141 0.000 2.479 353 A HA 0.645 4.965 4.320 0.000 0.000 0.296 353 A C -1.028 176.254 177.584 -0.504 0.000 1.121 353 A CA -0.791 51.083 52.037 -0.272 0.000 0.743 353 A CB 1.328 20.184 19.000 -0.241 0.000 1.323 353 A HN 0.162 nan 8.150 nan 0.000 0.415 354 I N 2.555 122.877 120.570 -0.413 0.000 2.312 354 I HA 0.255 4.425 4.170 0.000 0.000 0.290 354 I C -0.571 175.297 176.117 -0.414 0.000 1.008 354 I CA -0.392 60.680 61.300 -0.380 0.000 1.226 354 I CB 0.685 38.571 38.000 -0.190 0.000 1.371 354 I HN 0.527 nan 8.210 nan 0.000 0.468 355 H N 6.632 125.643 119.070 -0.099 0.000 2.552 355 H HA 0.325 4.881 4.556 0.000 0.000 0.311 355 H C -0.882 174.247 175.328 -0.331 0.000 1.071 355 H CA -0.251 55.722 56.048 -0.123 0.000 1.307 355 H CB 0.762 30.544 29.762 0.034 0.000 1.416 355 H HN 0.401 nan 8.280 nan 0.000 0.464 356 Y N 1.666 121.838 120.300 -0.215 0.000 2.519 356 Y HA 0.370 4.920 4.550 0.000 0.000 0.324 356 Y C -0.248 175.337 175.900 -0.525 0.000 1.214 356 Y CA -0.686 57.315 58.100 -0.165 0.000 1.260 356 Y CB 1.260 39.707 38.460 -0.021 0.000 1.311 356 Y HN 0.391 nan 8.280 nan 0.000 0.505 357 F N 0.366 120.504 119.950 0.312 0.000 2.617 357 F HA 0.395 4.922 4.527 0.000 0.000 0.325 357 F C -0.676 175.227 175.800 0.170 0.000 1.179 357 F CA -1.321 56.800 58.000 0.201 0.000 0.965 357 F CB 1.421 40.515 39.000 0.158 0.000 1.232 357 F HN 0.107 nan 8.300 nan 0.000 0.461 358 K N 4.516 125.074 120.400 0.264 0.000 2.276 358 K HA 0.566 4.886 4.320 0.000 0.000 0.285 358 K C -0.672 176.031 176.600 0.170 0.000 1.062 358 K CA -0.150 56.245 56.287 0.181 0.000 0.918 358 K CB 1.207 33.775 32.500 0.113 0.000 1.055 358 K HN 0.564 nan 8.250 nan 0.000 0.477 359 I N 6.204 126.862 120.570 0.147 0.000 2.354 359 I HA 0.237 4.407 4.170 0.000 0.000 0.286 359 I C -2.175 173.990 176.117 0.079 0.000 1.007 359 I CA -2.457 58.910 61.300 0.111 0.000 1.167 359 I CB 1.441 39.505 38.000 0.107 0.000 1.320 359 I HN 0.337 nan 8.210 nan 0.000 0.458 360 P HA 0.221 nan 4.420 nan 0.000 0.274 360 P C -0.539 176.784 177.300 0.038 0.000 1.256 360 P CA -0.495 62.633 63.100 0.047 0.000 0.795 360 P CB 0.629 32.353 31.700 0.040 0.000 1.038 361 L N 1.654 122.896 121.223 0.031 0.000 2.416 361 L HA 0.036 4.376 4.340 0.000 0.000 0.272 361 L C 1.312 178.193 176.870 0.019 0.000 1.161 361 L CA -0.055 54.800 54.840 0.025 0.000 0.845 361 L CB 0.090 42.162 42.059 0.021 0.000 1.119 361 L HN 0.363 nan 8.230 nan 0.000 0.464 362 D N 0.494 120.902 120.400 0.015 0.000 2.172 362 D HA -0.193 4.447 4.640 0.000 0.000 0.196 362 D C 2.102 178.407 176.300 0.009 0.000 0.999 362 D CA 1.828 55.834 54.000 0.010 0.000 0.856 362 D CB 0.005 40.808 40.800 0.004 0.000 0.934 362 D HN 0.707 nan 8.370 nan 0.000 0.453 363 S N 0.340 116.045 115.700 0.009 0.000 2.493 363 S HA -0.182 4.288 4.470 0.000 0.000 0.243 363 S C 1.141 175.746 174.600 0.009 0.000 0.991 363 S CA 0.798 59.002 58.200 0.008 0.000 0.957 363 S CB -0.493 62.712 63.200 0.008 0.000 0.756 363 S HN 0.563 nan 8.310 nan 0.000 0.521 364 E N 0.399 120.606 120.200 0.012 0.000 2.585 364 E HA 0.302 4.652 4.350 0.000 0.000 0.206 364 E C -0.444 176.163 176.600 0.012 0.000 1.007 364 E CA -0.788 55.619 56.400 0.012 0.000 1.028 364 E CB 0.003 29.712 29.700 0.015 0.000 1.087 364 E HN 0.271 nan 8.360 nan 0.000 0.455 374 N N 6.305 125.087 118.700 0.136 0.000 2.558 374 N HA 0.435 5.175 4.740 0.000 0.000 0.242 374 N C -1.017 174.556 175.510 0.105 0.000 0.979 374 N CA -0.370 52.743 53.050 0.106 0.000 0.931 374 N CB 2.227 40.769 38.487 0.092 0.000 1.122 374 N HN 0.531 nan 8.380 nan 0.000 0.508 375 M N 3.102 122.715 119.600 0.022 0.000 2.072 375 M HA 0.363 4.843 4.480 0.000 0.000 0.331 375 M C -0.999 175.250 176.300 -0.086 0.000 1.004 375 M CA -0.498 54.706 55.300 -0.160 0.000 0.952 375 M CB 1.114 33.607 32.600 -0.178 0.000 1.511 375 M HN 0.360 nan 8.290 nan 0.000 0.422 376 M N 5.157 124.718 119.600 -0.064 0.000 2.061 376 M HA 0.321 4.801 4.480 0.000 0.000 0.346 376 M C -1.334 175.024 176.300 0.097 0.000 1.112 376 M CA -0.331 54.985 55.300 0.027 0.000 1.021 376 M CB 0.525 33.141 32.600 0.027 0.000 1.530 376 M HN 0.583 nan 8.290 nan 0.000 0.437 377 D N 5.109 125.571 120.400 0.104 0.000 2.304 377 D HA 0.488 5.128 4.640 0.000 0.000 0.247 377 D C -0.672 175.672 176.300 0.074 0.000 1.089 377 D CA 0.371 54.452 54.000 0.136 0.000 0.910 377 D CB 1.189 42.099 40.800 0.183 0.000 1.199 377 D HN 0.562 nan 8.370 nan 0.000 0.426 378 I N 1.477 122.060 120.570 0.023 0.000 2.576 378 I HA 0.244 4.414 4.170 0.000 0.000 0.279 378 I C 0.283 176.379 176.117 -0.035 0.000 1.114 378 I CA -0.470 60.843 61.300 0.021 0.000 1.076 378 I CB 1.738 39.793 38.000 0.092 0.000 1.212 378 I HN 0.426 nan 8.210 nan 0.000 0.472 379 A N 2.993 125.798 122.820 -0.024 0.000 2.178 379 A HA -0.009 4.311 4.320 0.000 0.000 0.211 379 A C 0.943 178.506 177.584 -0.035 0.000 1.157 379 A CA 0.426 52.441 52.037 -0.036 0.000 0.780 379 A CB -0.255 18.739 19.000 -0.010 0.000 0.828 379 A HN 0.702 nan 8.150 nan 0.000 0.476 380 D N 0.662 121.048 120.400 -0.024 0.000 2.441 380 D HA 0.212 4.852 4.640 0.000 0.000 0.243 380 D C 0.968 177.246 176.300 -0.036 0.000 1.257 380 D CA 0.009 53.994 54.000 -0.026 0.000 1.027 380 D CB -0.255 40.535 40.800 -0.018 0.000 1.084 380 D HN 0.325 nan 8.370 nan 0.000 0.514 381 L N 2.155 123.346 121.223 -0.054 0.000 2.456 381 L HA -0.063 4.277 4.340 0.000 0.000 0.224 381 L C 1.730 178.558 176.870 -0.071 0.000 1.148 381 L CA 0.602 55.397 54.840 -0.074 0.000 0.825 381 L CB -0.192 41.808 42.059 -0.099 0.000 0.937 381 L HN 0.357 nan 8.230 nan 0.000 0.450 382 E N -0.059 120.107 120.200 -0.057 0.000 2.371 382 E HA -0.043 4.308 4.350 0.000 0.000 0.194 382 E C 0.776 177.348 176.600 -0.046 0.000 1.012 382 E CA 0.320 56.688 56.400 -0.054 0.000 0.860 382 E CB 0.127 29.799 29.700 -0.046 0.000 0.811 382 E HN 0.405 nan 8.360 nan 0.000 0.502 390 N N 1.277 119.992 118.700 0.024 0.000 2.454 390 N HA 0.368 5.108 4.740 0.000 0.000 0.260 390 N C 0.387 175.928 175.510 0.050 0.000 1.218 390 N CA 1.281 54.353 53.050 0.036 0.000 0.904 390 N CB 0.442 38.943 38.487 0.024 0.000 1.065 390 N HN 0.187 nan 8.380 nan 0.000 0.462 391 S N -0.640 115.100 115.700 0.067 0.000 2.765 391 S HA -0.139 4.331 4.470 0.000 0.000 0.266 391 S C 0.816 175.490 174.600 0.123 0.000 1.302 391 S CA 0.774 59.024 58.200 0.083 0.000 1.274 391 S CB -0.764 62.477 63.200 0.068 0.000 1.559 391 S HN 0.571 nan 8.310 nan 0.000 0.658 392 M N -0.354 119.328 119.600 0.137 0.000 2.638 392 M HA 0.301 4.781 4.480 0.000 0.000 0.256 392 M C 0.412 176.835 176.300 0.205 0.000 1.282 392 M CA 0.977 56.402 55.300 0.208 0.000 1.155 392 M CB 0.176 32.911 32.600 0.225 0.000 1.345 392 M HN 0.135 nan 8.290 nan 0.000 0.523 393 V N 3.021 123.027 119.914 0.154 0.000 2.304 393 V HA 0.434 4.554 4.120 0.000 0.000 0.278 393 V C -0.082 176.082 176.094 0.116 0.000 1.018 393 V CA -0.957 61.429 62.300 0.145 0.000 0.814 393 V CB 1.210 33.104 31.823 0.118 0.000 1.021 393 V HN 0.145 nan 8.190 nan 0.000 0.440 394 V N 1.757 121.743 119.914 0.120 0.000 3.103 394 V HA 0.740 4.860 4.120 0.000 0.000 0.318 394 V C 0.341 176.484 176.094 0.083 0.000 1.114 394 V CA -0.760 61.595 62.300 0.092 0.000 1.020 394 V CB 2.122 33.997 31.823 0.086 0.000 1.085 394 V HN 0.658 nan 8.190 nan 0.000 0.446 395 S N 1.224 116.961 115.700 0.061 0.000 2.515 395 S HA 0.108 4.579 4.470 0.000 0.000 0.285 395 S C 0.779 175.403 174.600 0.040 0.000 1.265 395 S CA -0.196 58.033 58.200 0.049 0.000 1.079 395 S CB -0.018 63.203 63.200 0.035 0.000 0.877 395 S HN 0.994 nan 8.310 nan 0.000 0.493 396 L N 5.961 127.205 121.223 0.036 0.000 2.131 396 L HA 0.016 4.356 4.340 0.000 0.000 0.210 396 L C 2.157 179.025 176.870 -0.003 0.000 1.092 396 L CA 1.959 56.807 54.840 0.013 0.000 0.759 396 L CB -0.717 41.338 42.059 -0.006 0.000 0.903 396 L HN 0.839 nan 8.230 nan 0.000 0.435 397 K N -0.785 119.615 120.400 -0.000 0.000 2.005 397 K HA -0.011 4.310 4.320 0.000 0.000 0.206 397 K C 1.946 178.545 176.600 -0.000 0.000 1.044 397 K CA 1.020 57.303 56.287 -0.006 0.000 0.942 397 K CB -0.300 32.196 32.500 -0.006 0.000 0.727 397 K HN 0.283 nan 8.250 nan 0.000 0.439 398 A N 0.195 123.020 122.820 0.008 0.000 2.178 398 A HA -0.095 4.225 4.320 0.000 0.000 0.218 398 A C 1.433 179.024 177.584 0.013 0.000 1.157 398 A CA 1.285 53.328 52.037 0.011 0.000 0.689 398 A CB -0.502 18.508 19.000 0.017 0.000 0.787 398 A HN 0.538 nan 8.150 nan 0.000 0.465 399 C N -1.853 117.455 119.300 0.013 0.000 3.240 399 C HA 0.348 4.808 4.460 0.000 0.000 0.271 399 C C 1.903 176.895 174.990 0.002 0.000 1.534 399 C CA -0.536 58.490 59.018 0.014 0.000 1.796 399 C CB -0.675 27.082 27.740 0.028 0.000 2.892 399 C HN 0.638 nan 8.230 nan 0.000 0.566 400 R N 2.584 123.081 120.500 -0.007 0.000 2.112 400 R HA -0.217 4.123 4.340 0.000 0.000 0.242 400 R C 2.127 178.414 176.300 -0.023 0.000 1.137 400 R CA 2.342 58.431 56.100 -0.019 0.000 0.944 400 R CB -0.608 29.678 30.300 -0.023 0.000 0.857 400 R HN 0.540 nan 8.270 nan 0.000 0.435 401 Q N 0.045 119.835 119.800 -0.017 0.000 2.079 401 Q HA -0.054 4.286 4.340 0.000 0.000 0.200 401 Q C 1.620 177.610 176.000 -0.017 0.000 0.974 401 Q CA 2.052 57.844 55.803 -0.018 0.000 0.840 401 Q CB -0.347 28.383 28.738 -0.013 0.000 0.898 401 Q HN 0.397 nan 8.270 nan 0.000 0.430 402 N N 0.048 118.744 118.700 -0.007 0.000 2.120 402 N HA -0.121 4.619 4.740 0.000 0.000 0.188 402 N C 1.739 177.242 175.510 -0.013 0.000 1.024 402 N CA 1.587 54.636 53.050 -0.001 0.000 0.852 402 N CB -0.278 38.218 38.487 0.015 0.000 1.003 402 N HN 0.375 nan 8.380 nan 0.000 0.424 403 I N 1.069 121.629 120.570 -0.017 0.000 2.286 403 I HA -0.210 3.960 4.170 0.000 0.000 0.248 403 I C 2.252 178.331 176.117 -0.064 0.000 1.115 403 I CA 1.053 62.331 61.300 -0.036 0.000 1.392 403 I CB -0.223 37.758 38.000 -0.031 0.000 1.065 403 I HN 0.179 nan 8.210 nan 0.000 0.418 404 E N 0.518 120.685 120.200 -0.055 0.000 2.051 404 E HA -0.185 4.165 4.350 0.000 0.000 0.192 404 E C 2.139 178.703 176.600 -0.060 0.000 0.991 404 E CA 1.812 58.175 56.400 -0.062 0.000 0.799 404 E CB 0.066 29.736 29.700 -0.050 0.000 0.748 404 E HN 0.413 nan 8.360 nan 0.000 0.449 405 T N 1.515 116.042 114.554 -0.045 0.000 2.720 405 T HA -0.186 4.165 4.350 0.000 0.000 0.268 405 T C 1.745 176.413 174.700 -0.054 0.000 1.037 405 T CA 1.061 63.138 62.100 -0.039 0.000 1.144 405 T CB -0.224 68.631 68.868 -0.021 0.000 0.864 405 T HN 0.077 nan 8.240 nan 0.000 0.444 406 L N 1.126 122.306 121.223 -0.071 0.000 2.005 406 L HA 0.085 4.426 4.340 0.000 0.000 0.207 406 L C 2.163 178.926 176.870 -0.177 0.000 1.072 406 L CA 1.591 56.355 54.840 -0.126 0.000 0.744 406 L CB -0.912 41.050 42.059 -0.162 0.000 0.895 406 L HN 0.235 nan 8.230 nan 0.000 0.433 407 L N -0.820 120.305 121.223 -0.165 0.000 2.129 407 L HA -0.237 4.103 4.340 0.000 0.000 0.212 407 L C 2.266 179.072 176.870 -0.107 0.000 1.087 407 L CA 1.708 56.455 54.840 -0.155 0.000 0.757 407 L CB -1.089 40.886 42.059 -0.140 0.000 0.896 407 L HN 0.337 nan 8.230 nan 0.000 0.434 408 T N -0.765 113.737 114.554 -0.086 0.000 2.904 408 T HA -0.125 4.225 4.350 0.000 0.000 0.267 408 T C 1.887 176.554 174.700 -0.056 0.000 1.059 408 T CA 1.060 63.123 62.100 -0.062 0.000 1.137 408 T CB 0.016 68.854 68.868 -0.051 0.000 0.879 408 T HN 0.347 nan 8.240 nan 0.000 0.467 409 K N 0.650 121.012 120.400 -0.064 0.000 2.137 409 K HA 0.198 4.518 4.320 0.000 0.000 0.202 409 K C 2.167 178.725 176.600 -0.069 0.000 1.052 409 K CA 0.541 56.793 56.287 -0.059 0.000 0.961 409 K CB -0.250 32.221 32.500 -0.048 0.000 0.741 409 K HN 0.241 nan 8.250 nan 0.000 0.452 410 I N 1.676 122.203 120.570 -0.072 0.000 2.147 410 I HA -0.303 3.867 4.170 0.000 0.000 0.245 410 I C -0.956 175.189 176.117 0.046 0.000 1.059 410 I CA 1.728 63.021 61.300 -0.012 0.000 1.320 410 I CB -1.003 37.001 38.000 0.006 0.000 1.021 410 I HN 0.095 nan 8.210 nan 0.000 0.415 411 P HA -0.171 nan 4.420 nan 0.000 0.218 411 P C 1.281 178.592 177.300 0.018 0.000 1.149 411 P CA 1.380 64.508 63.100 0.047 0.000 0.817 411 P CB -0.007 31.700 31.700 0.011 0.000 0.785 412 Q N -1.024 118.756 119.800 -0.033 0.000 2.137 412 Q HA -0.016 4.324 4.340 0.000 0.000 0.198 412 Q C 2.157 178.090 176.000 -0.111 0.000 0.960 412 Q CA 0.932 56.703 55.803 -0.053 0.000 0.847 412 Q CB -0.540 28.164 28.738 -0.056 0.000 0.915 412 Q HN 0.261 nan 8.270 nan 0.000 0.448 413 I N 0.038 120.475 120.570 -0.223 0.000 2.163 413 I HA -0.247 3.924 4.170 0.000 0.000 0.243 413 I C 1.062 176.858 176.117 -0.536 0.000 1.085 413 I CA 1.474 62.492 61.300 -0.471 0.000 1.347 413 I CB -0.089 37.438 38.000 -0.787 0.000 1.044 413 I HN 0.147 nan 8.210 nan 0.000 0.408 414 F N 0.022 119.966 119.950 -0.010 0.000 2.684 414 F HA 0.177 4.704 4.527 0.000 0.000 0.298 414 F C 2.047 177.845 175.800 -0.005 0.000 1.120 414 F CA -0.259 57.733 58.000 -0.013 0.000 1.332 414 F CB -0.294 38.701 39.000 -0.008 0.000 0.986 414 F HN 0.003 nan 8.300 nan 0.000 0.524 415 Q N 1.355 121.209 119.800 0.089 0.000 2.173 415 Q HA -0.235 4.106 4.340 0.000 0.000 0.208 415 Q C 1.477 177.512 176.000 0.059 0.000 0.989 415 Q CA 2.057 57.895 55.803 0.058 0.000 0.872 415 Q CB 0.014 28.761 28.738 0.015 0.000 0.909 415 Q HN 0.375 nan 8.270 nan 0.000 0.420 416 S N -0.247 115.489 115.700 0.060 0.000 2.661 416 S HA 0.199 4.670 4.470 0.000 0.000 0.245 416 S C -0.347 174.296 174.600 0.072 0.000 1.117 416 S CA -0.831 57.400 58.200 0.052 0.000 1.091 416 S CB 0.148 63.368 63.200 0.032 0.000 0.887 416 S HN 0.227 nan 8.310 nan 0.000 0.491 417 N N 1.798 120.563 118.700 0.109 0.000 2.468 417 N HA 0.177 4.917 4.740 0.000 0.000 0.265 417 N C 0.448 176.005 175.510 0.078 0.000 1.199 417 N CA 0.007 53.130 53.050 0.122 0.000 0.928 417 N CB 0.509 39.094 38.487 0.163 0.000 1.059 417 N HN 0.521 nan 8.380 nan 0.000 0.467 418 L N 3.723 124.988 121.223 0.070 0.000 2.693 418 L HA 0.318 4.658 4.340 0.000 0.000 0.235 418 L C 0.595 177.496 176.870 0.052 0.000 1.127 418 L CA -0.123 54.748 54.840 0.052 0.000 0.914 418 L CB 0.131 42.217 42.059 0.044 0.000 1.193 418 L HN 0.469 nan 8.230 nan 0.000 0.502 419 I N 0.619 121.227 120.570 0.064 0.000 2.588 419 I HA -0.037 4.133 4.170 0.000 0.000 0.283 419 I C 1.372 177.522 176.117 0.056 0.000 1.119 419 I CA 0.293 61.630 61.300 0.062 0.000 1.419 419 I CB 1.266 39.313 38.000 0.079 0.000 1.394 419 I HN 0.134 nan 8.210 nan 0.000 0.562 420 T N 0.582 115.167 114.554 0.053 0.000 3.092 420 T HA 0.208 4.558 4.350 0.000 0.000 0.258 420 T C 0.522 175.266 174.700 0.073 0.000 1.031 420 T CA -0.494 61.638 62.100 0.053 0.000 0.925 420 T CB -0.324 68.570 68.868 0.044 0.000 1.036 420 T HN 0.417 nan 8.240 nan 0.000 0.544 421 N N 1.735 120.482 118.700 0.078 0.000 2.518 421 N HA 0.437 5.178 4.740 0.000 0.000 0.283 421 N C -1.718 173.886 175.510 0.158 0.000 1.119 421 N CA -0.348 52.754 53.050 0.088 0.000 0.983 421 N CB 1.249 39.761 38.487 0.042 0.000 1.139 421 N HN 0.288 nan 8.380 nan 0.000 0.465 422 F N 1.337 121.274 119.950 -0.022 0.000 2.771 422 F HA 0.421 4.948 4.527 0.001 0.000 0.365 422 F C -0.405 175.373 175.800 -0.037 0.000 1.169 422 F CA -1.151 56.831 58.000 -0.029 0.000 1.093 422 F CB 0.644 39.633 39.000 -0.019 0.000 1.363 422 F HN 0.502 nan 8.300 nan 0.000 0.496 423 A N 6.302 128.850 122.820 -0.453 0.000 3.077 423 A HA 0.234 4.554 4.320 0.000 0.000 0.255 423 A C 1.354 178.573 177.584 -0.609 0.000 1.728 423 A CA -0.100 51.682 52.037 -0.425 0.000 1.383 423 A CB -0.844 17.983 19.000 -0.288 0.000 1.097 423 A HN 0.905 nan 8.150 nan 0.000 0.634 424 L N 1.807 122.584 121.223 -0.742 0.000 1.990 424 L HA -0.099 4.241 4.340 0.000 0.000 0.213 424 L C 2.261 178.929 176.870 -0.337 0.000 1.072 424 L CA 2.698 57.208 54.840 -0.550 0.000 0.755 424 L CB -1.105 40.875 42.059 -0.132 0.000 0.889 424 L HN 0.495 nan 8.230 nan 0.000 0.432 425 G N -0.455 108.113 108.800 -0.388 0.000 2.679 425 G HA2 -0.287 3.673 3.960 0.000 0.000 0.217 425 G HA3 -0.287 3.673 3.960 0.000 0.000 0.217 425 G C -0.508 174.132 174.900 -0.434 0.000 1.267 425 G CA 1.166 45.880 45.100 -0.642 0.000 0.799 425 G HN 0.390 nan 8.290 nan 0.000 0.606 426 P HA -0.124 nan 4.420 nan 0.000 0.216 426 P C 2.254 179.471 177.300 -0.139 0.000 1.157 426 P CA 2.362 65.335 63.100 -0.212 0.000 0.880 426 P CB -0.247 31.335 31.700 -0.197 0.000 0.791 427 A N -0.984 121.723 122.820 -0.189 0.000 1.883 427 A HA -0.202 4.118 4.320 0.000 0.000 0.217 427 A C 2.130 179.694 177.584 -0.033 0.000 1.186 427 A CA 1.570 53.529 52.037 -0.130 0.000 0.624 427 A CB -1.713 17.156 19.000 -0.219 0.000 0.822 427 A HN 0.094 nan 8.150 nan 0.000 0.444 428 L N -0.127 121.045 121.223 -0.084 0.000 2.079 428 L HA -0.172 4.168 4.340 0.000 0.000 0.210 428 L C 2.362 179.313 176.870 0.134 0.000 1.081 428 L CA 1.965 56.768 54.840 -0.063 0.000 0.752 428 L CB -0.474 41.340 42.059 -0.409 0.000 0.896 428 L HN 0.370 nan 8.230 nan 0.000 0.433 429 K N -1.609 118.848 120.400 0.095 0.000 2.103 429 K HA -0.060 4.260 4.320 0.000 0.000 0.204 429 K C 2.174 178.957 176.600 0.304 0.000 1.052 429 K CA 1.270 57.709 56.287 0.253 0.000 0.945 429 K CB -0.130 32.440 32.500 0.117 0.000 0.722 429 K HN 0.218 nan 8.250 nan 0.000 0.443 430 S N 1.236 117.068 115.700 0.221 0.000 2.353 430 S HA -0.187 4.283 4.470 0.000 0.000 0.222 430 S C 2.178 176.986 174.600 0.348 0.000 1.035 430 S CA 1.423 59.800 58.200 0.294 0.000 1.025 430 S CB -0.285 63.063 63.200 0.248 0.000 0.902 430 S HN 0.442 nan 8.310 nan 0.000 0.440 431 A N 0.501 123.493 122.820 0.286 0.000 1.908 431 A HA -0.164 4.156 4.320 0.000 0.000 0.218 431 A C 1.905 179.673 177.584 0.307 0.000 1.181 431 A CA 1.803 54.003 52.037 0.271 0.000 0.627 431 A CB -1.077 18.066 19.000 0.238 0.000 0.818 431 A HN 0.609 nan 8.150 nan 0.000 0.445 432 Y N -0.360 120.104 120.300 0.273 0.000 2.030 432 Y HA -0.355 4.195 4.550 0.000 0.000 0.274 432 Y C 2.522 178.535 175.900 0.188 0.000 1.153 432 Y CA 2.697 60.927 58.100 0.217 0.000 1.115 432 Y CB -0.564 38.060 38.460 0.274 0.000 0.969 432 Y HN 0.536 nan 8.280 nan 0.000 0.488 433 H N -0.377 118.945 119.070 0.420 0.000 2.422 433 H HA -0.166 4.390 4.556 0.000 0.000 0.298 433 H C 1.942 177.355 175.328 0.142 0.000 1.098 433 H CA 1.825 58.031 56.048 0.263 0.000 1.315 433 H CB -0.413 29.490 29.762 0.234 0.000 1.382 433 H HN 0.423 nan 8.280 nan 0.000 0.523 434 L N 0.541 121.870 121.223 0.177 0.000 2.056 434 L HA -0.062 4.278 4.340 0.000 0.000 0.207 434 L C 1.969 178.852 176.870 0.022 0.000 1.078 434 L CA 1.879 56.783 54.840 0.107 0.000 0.749 434 L CB -0.291 41.906 42.059 0.230 0.000 0.901 434 L HN 0.592 nan 8.230 nan 0.000 0.433 435 I N -5.375 115.195 120.570 0.001 0.000 4.081 435 I HA 0.399 4.569 4.170 0.000 0.000 0.333 435 I C 1.736 177.769 176.117 -0.139 0.000 1.413 435 I CA 0.444 61.716 61.300 -0.047 0.000 1.110 435 I CB -0.460 37.530 38.000 -0.016 0.000 1.082 435 I HN 0.032 nan 8.210 nan 0.000 0.402 436 G N 1.666 110.331 108.800 -0.224 0.000 2.470 436 G HA2 -0.143 3.817 3.960 0.000 0.000 0.220 436 G HA3 -0.143 3.817 3.960 0.000 0.000 0.220 436 G C 1.442 176.216 174.900 -0.211 0.000 1.121 436 G CA 0.749 45.635 45.100 -0.358 0.000 0.766 436 G HN 0.550 nan 8.290 nan 0.000 0.553 437 G N -0.600 108.118 108.800 -0.138 0.000 2.776 437 G HA2 0.173 4.134 3.960 0.000 0.000 0.209 437 G HA3 0.173 4.134 3.960 0.000 0.000 0.209 437 G C 0.973 175.830 174.900 -0.071 0.000 1.145 437 G CA 1.217 46.263 45.100 -0.090 0.000 0.791 437 G HN 0.418 nan 8.290 nan 0.000 0.530 438 V N -1.854 118.012 119.914 -0.081 0.000 3.283 438 V HA 0.493 4.614 4.120 0.000 0.000 0.265 438 V C 1.086 177.141 176.094 -0.065 0.000 1.672 438 V CA 0.071 62.339 62.300 -0.054 0.000 1.020 438 V CB -0.293 31.513 31.823 -0.028 0.000 0.854 438 V HN 0.859 nan 8.190 nan 0.000 0.408 439 G N -0.077 108.660 108.800 -0.106 0.000 2.758 439 G HA2 0.433 4.393 3.960 0.000 0.000 0.686 439 G HA3 0.433 4.393 3.960 0.000 0.000 0.686 439 G C 0.050 174.896 174.900 -0.089 0.000 1.389 439 G CA -0.275 44.753 45.100 -0.119 0.000 0.845 439 G HN 1.706 nan 8.290 nan 0.000 0.572 440 G N -0.348 108.385 108.800 -0.112 0.000 2.367 440 G HA2 0.557 4.517 3.960 0.000 0.000 0.272 440 G HA3 0.557 4.517 3.960 0.000 0.000 0.272 440 G C -1.227 173.556 174.900 -0.195 0.000 1.271 440 G CA -0.010 45.014 45.100 -0.127 0.000 0.893 440 G HN 0.849 nan 8.290 nan 0.000 0.485 441 K N 0.295 120.540 120.400 -0.258 0.000 2.235 441 K HA 0.593 4.913 4.320 0.000 0.000 0.266 441 K C -0.729 175.797 176.600 -0.122 0.000 0.980 441 K CA -0.552 55.580 56.287 -0.259 0.000 0.849 441 K CB 1.970 34.207 32.500 -0.438 0.000 1.098 441 K HN 0.343 nan 8.250 nan 0.000 0.445 442 I N 5.384 125.942 120.570 -0.020 0.000 2.328 442 I HA 0.297 4.467 4.170 0.000 0.000 0.287 442 I C -0.167 176.017 176.117 0.112 0.000 1.012 442 I CA -0.583 60.757 61.300 0.067 0.000 1.195 442 I CB 0.834 38.932 38.000 0.164 0.000 1.350 442 I HN 0.385 nan 8.210 nan 0.000 0.464 443 I N 7.158 127.787 120.570 0.099 0.000 2.307 443 I HA 0.264 4.434 4.170 0.000 0.000 0.289 443 I C -0.175 176.169 176.117 0.379 0.000 1.021 443 I CA -0.660 60.804 61.300 0.273 0.000 1.224 443 I CB 1.481 39.637 38.000 0.261 0.000 1.376 443 I HN 0.209 nan 8.210 nan 0.000 0.470 444 V N 7.680 127.832 119.914 0.396 0.000 2.465 444 V HA 0.308 4.429 4.120 0.000 0.000 0.279 444 V C 0.096 176.446 176.094 0.426 0.000 1.045 444 V CA -0.512 62.015 62.300 0.377 0.000 0.938 444 V CB 1.827 33.838 31.823 0.314 0.000 0.986 444 V HN 0.382 nan 8.190 nan 0.000 0.467 445 V N 4.407 124.512 119.914 0.319 0.000 2.407 445 V HA 0.705 4.825 4.120 0.000 0.000 0.291 445 V C -0.126 175.966 176.094 -0.005 0.000 1.018 445 V CA -0.102 62.310 62.300 0.187 0.000 0.842 445 V CB 1.579 33.428 31.823 0.043 0.000 0.996 445 V HN 0.913 nan 8.190 nan 0.000 0.426 446 S N 3.187 118.835 115.700 -0.086 0.000 2.537 446 S HA 0.765 5.235 4.470 0.000 0.000 0.270 446 S C 0.090 174.522 174.600 -0.281 0.000 1.142 446 S CA 0.234 58.236 58.200 -0.329 0.000 0.870 446 S CB 2.100 65.023 63.200 -0.460 0.000 1.112 446 S HN 1.030 nan 8.310 nan 0.000 0.466 447 G N 1.654 110.246 108.800 -0.348 0.000 4.552 447 G HA2 0.455 4.415 3.960 0.000 0.000 0.281 447 G HA3 0.455 4.415 3.960 0.000 0.000 0.281 447 G C -0.699 174.087 174.900 -0.190 0.000 1.037 447 G CA -0.290 44.682 45.100 -0.213 0.000 0.806 447 G HN 0.726 nan 8.290 nan 0.000 0.495 448 T N 1.069 115.458 114.554 -0.275 0.000 3.143 448 T HA 0.270 4.620 4.350 0.000 0.000 0.312 448 T C -0.729 173.935 174.700 -0.060 0.000 0.986 448 T CA -0.520 61.477 62.100 -0.172 0.000 1.024 448 T CB 2.260 70.999 68.868 -0.215 0.000 1.030 448 T HN 0.150 nan 8.240 nan 0.000 0.448 449 L N 5.462 126.695 121.223 0.017 0.000 2.540 449 L HA 0.277 4.617 4.340 0.000 0.000 0.276 449 L C -2.259 174.705 176.870 0.157 0.000 1.212 449 L CA -1.023 53.851 54.840 0.057 0.000 0.893 449 L CB -0.028 42.066 42.059 0.059 0.000 1.138 449 L HN 0.331 nan 8.230 nan 0.000 0.491 450 P HA 0.056 nan 4.420 nan 0.000 0.260 450 P C -0.911 176.457 177.300 0.115 0.000 1.185 450 P CA 0.517 63.740 63.100 0.204 0.000 0.763 450 P CB 0.261 32.074 31.700 0.189 0.000 0.776 451 N N 2.433 121.184 118.700 0.085 0.000 2.307 451 N HA 0.282 5.022 4.740 0.000 0.000 0.248 451 N C -0.937 174.576 175.510 0.005 0.000 1.322 451 N CA -0.221 52.859 53.050 0.049 0.000 0.861 451 N CB 0.008 38.536 38.487 0.068 0.000 1.303 451 N HN 0.180 nan 8.380 nan 0.000 0.498 452 L N -0.333 120.866 121.223 -0.040 0.000 2.505 452 L HA 0.764 5.104 4.340 0.000 0.000 0.259 452 L C 0.242 177.029 176.870 -0.139 0.000 0.952 452 L CA 0.803 55.598 54.840 -0.074 0.000 0.840 452 L CB 1.506 43.527 42.059 -0.063 0.000 1.358 452 L HN 0.461 nan 8.230 nan 0.000 0.409 453 G N 3.148 111.865 108.800 -0.139 0.000 2.750 453 G HA2 -0.245 3.715 3.960 0.000 0.000 0.228 453 G HA3 -0.245 3.715 3.960 0.000 0.000 0.228 453 G C -0.163 174.582 174.900 -0.258 0.000 1.367 453 G CA -0.217 44.769 45.100 -0.190 0.000 0.871 453 G HN 1.135 nan 8.290 nan 0.000 0.560 454 I N 1.191 121.549 120.570 -0.353 0.000 2.872 454 I HA 0.338 4.508 4.170 0.000 0.000 0.291 454 I C 1.760 177.411 176.117 -0.776 0.000 1.216 454 I CA 1.995 62.988 61.300 -0.513 0.000 1.424 454 I CB 0.381 38.022 38.000 -0.598 0.000 1.351 454 I HN 2.573 nan 8.210 nan 0.000 0.592 455 G N 5.277 113.647 108.800 -0.716 0.000 2.162 455 G HA2 -0.321 3.639 3.960 0.000 0.000 0.260 455 G HA3 -0.321 3.639 3.960 0.000 0.000 0.260 455 G C 0.200 175.043 174.900 -0.095 0.000 0.976 455 G CA 0.500 45.242 45.100 -0.597 0.000 0.655 455 G HN 0.864 nan 8.290 nan 0.000 0.533 456 K N 0.001 120.338 120.400 -0.104 0.000 2.336 456 K HA 0.604 4.924 4.320 0.000 0.000 0.262 456 K C 0.284 176.933 176.600 0.082 0.000 0.992 456 K CA -0.122 56.168 56.287 0.005 0.000 0.927 456 K CB 0.830 33.316 32.500 -0.024 0.000 0.956 456 K HN 0.316 nan 8.250 nan 0.000 0.495 457 L N 0.537 121.820 121.223 0.100 0.000 2.309 457 L HA 0.415 4.755 4.340 0.000 0.000 0.261 457 L C -0.279 176.658 176.870 0.112 0.000 1.021 457 L CA -1.183 53.725 54.840 0.113 0.000 0.823 457 L CB 2.195 44.318 42.059 0.107 0.000 1.366 457 L HN 0.695 nan 8.230 nan 0.000 0.423 458 Q N 0.028 119.902 119.800 0.123 0.000 2.458 458 Q HA 0.543 4.883 4.340 0.000 0.000 0.282 458 Q C -0.997 175.084 176.000 0.134 0.000 1.106 458 Q CA -1.049 54.820 55.803 0.110 0.000 0.814 458 Q CB 2.961 31.735 28.738 0.060 0.000 1.425 458 Q HN 0.445 nan 8.270 nan 0.000 0.437 481 S N 0.625 116.455 115.700 0.215 0.000 2.524 481 S HA 0.024 4.494 4.470 0.000 0.000 0.215 481 S C 1.832 176.517 174.600 0.141 0.000 0.986 481 S CA -0.185 58.109 58.200 0.157 0.000 0.911 481 S CB -0.243 63.010 63.200 0.088 0.000 0.805 481 S HN 0.442 nan 8.310 nan 0.000 0.501 482 F N 2.641 122.603 119.950 0.019 0.000 2.126 482 F HA -0.097 4.430 4.527 0.000 0.000 0.299 482 F C 1.754 177.477 175.800 -0.128 0.000 1.096 482 F CA 1.262 59.179 58.000 -0.138 0.000 1.255 482 F CB -0.681 38.105 39.000 -0.358 0.000 0.997 482 F HN 0.166 nan 8.300 nan 0.000 0.479 483 Y N 0.941 121.147 120.300 -0.157 0.000 2.145 483 Y HA -0.173 4.377 4.550 0.000 0.000 0.286 483 Y C 2.500 178.352 175.900 -0.081 0.000 1.145 483 Y CA 1.968 59.951 58.100 -0.195 0.000 1.148 483 Y CB -0.874 37.616 38.460 0.049 0.000 0.981 483 Y HN -0.007 nan 8.280 nan 0.000 0.507 484 K N -0.001 120.484 120.400 0.142 0.000 2.103 484 K HA -0.171 4.149 4.320 0.000 0.000 0.207 484 K C 1.650 178.247 176.600 -0.004 0.000 1.048 484 K CA 1.451 57.786 56.287 0.080 0.000 0.930 484 K CB -0.232 32.292 32.500 0.040 0.000 0.716 484 K HN 0.369 nan 8.250 nan 0.000 0.444 485 N N 0.286 118.946 118.700 -0.066 0.000 2.270 485 N HA -0.115 4.626 4.740 0.000 0.000 0.181 485 N C 1.630 177.060 175.510 -0.133 0.000 1.016 485 N CA 0.776 53.769 53.050 -0.094 0.000 0.870 485 N CB -0.125 38.304 38.487 -0.097 0.000 0.979 485 N HN 0.089 nan 8.380 nan 0.000 0.431 486 F N 2.484 122.189 119.950 -0.408 0.000 2.134 486 F HA -0.186 4.341 4.527 0.000 0.000 0.299 486 F C 2.712 178.410 175.800 -0.170 0.000 1.097 486 F CA 1.689 59.442 58.000 -0.411 0.000 1.264 486 F CB -0.767 37.848 39.000 -0.642 0.000 1.001 486 F HN 0.049 nan 8.300 nan 0.000 0.479 487 T N -1.076 113.462 114.554 -0.027 0.000 2.788 487 T HA -0.215 4.136 4.350 0.000 0.000 0.268 487 T C 2.175 176.772 174.700 -0.172 0.000 1.044 487 T CA 1.820 63.900 62.100 -0.033 0.000 1.139 487 T CB -1.056 67.924 68.868 0.187 0.000 0.867 487 T HN 0.400 nan 8.240 nan 0.000 0.454 488 I N 1.556 122.055 120.570 -0.118 0.000 2.226 488 I HA -0.140 4.031 4.170 0.000 0.000 0.245 488 I C 2.456 178.403 176.117 -0.283 0.000 1.100 488 I CA 1.598 62.796 61.300 -0.170 0.000 1.374 488 I CB -0.408 37.573 38.000 -0.032 0.000 1.057 488 I HN 0.239 nan 8.210 nan 0.000 0.413 489 D N 0.371 120.618 120.400 -0.254 0.000 2.144 489 D HA -0.127 4.513 4.640 0.000 0.000 0.200 489 D C 2.281 178.503 176.300 -0.129 0.000 0.978 489 D CA 1.132 55.011 54.000 -0.203 0.000 0.833 489 D CB -0.236 40.369 40.800 -0.326 0.000 0.961 489 D HN 0.364 nan 8.370 nan 0.000 0.470 490 C N 1.129 120.266 119.300 -0.272 0.000 2.422 490 C HA -0.118 4.342 4.460 0.000 0.000 0.279 490 C C 2.944 177.761 174.990 -0.288 0.000 1.305 490 C CA 1.345 60.206 59.018 -0.263 0.000 1.757 490 C CB -1.049 26.505 27.740 -0.310 0.000 1.962 490 C HN 0.414 nan 8.230 nan 0.000 0.499 491 S N 0.729 116.166 115.700 -0.438 0.000 2.474 491 S HA -0.125 4.346 4.470 0.000 0.000 0.235 491 S C 1.512 175.916 174.600 -0.327 0.000 0.997 491 S CA 1.159 59.035 58.200 -0.540 0.000 0.949 491 S CB -0.414 62.015 63.200 -1.284 0.000 0.766 491 S HN 0.724 nan 8.310 nan 0.000 0.517 492 K N 0.966 121.220 120.400 -0.243 0.000 2.137 492 K HA 0.120 4.440 4.320 0.000 0.000 0.202 492 K C 1.646 178.175 176.600 -0.119 0.000 1.052 492 K CA 1.216 57.419 56.287 -0.140 0.000 0.961 492 K CB -0.087 32.365 32.500 -0.080 0.000 0.741 492 K HN 0.489 nan 8.250 nan 0.000 0.452 493 V N -1.548 118.270 119.914 -0.161 0.000 3.376 493 V HA 0.138 4.258 4.120 0.000 0.000 0.313 493 V C -0.484 175.495 176.094 -0.192 0.000 1.393 493 V CA -0.590 61.591 62.300 -0.198 0.000 1.125 493 V CB -0.034 31.577 31.823 -0.353 0.000 1.037 493 V HN 0.187 nan 8.190 nan 0.000 0.440 494 Q N 0.214 119.916 119.800 -0.162 0.000 2.459 494 Q HA -0.152 4.188 4.340 0.000 0.000 0.314 494 Q C -0.416 175.499 176.000 -0.141 0.000 1.432 494 Q CA 0.878 56.608 55.803 -0.122 0.000 0.823 494 Q CB -1.976 26.717 28.738 -0.074 0.000 1.124 494 Q HN 0.793 nan 8.270 nan 0.000 0.392 495 I N 0.222 120.688 120.570 -0.174 0.000 2.474 495 I HA 0.423 4.594 4.170 0.000 0.000 0.294 495 I C 0.465 176.514 176.117 -0.113 0.000 1.005 495 I CA -0.602 60.601 61.300 -0.161 0.000 1.113 495 I CB 2.226 40.099 38.000 -0.211 0.000 1.289 495 I HN -0.063 nan 8.210 nan 0.000 0.436 496 T N 4.896 119.393 114.554 -0.096 0.000 2.887 496 T HA 0.554 4.904 4.350 0.000 0.000 0.288 496 T C -0.608 174.089 174.700 -0.005 0.000 1.021 496 T CA -0.462 61.604 62.100 -0.057 0.000 1.000 496 T CB 2.219 71.021 68.868 -0.110 0.000 1.034 496 T HN 0.181 nan 8.240 nan 0.000 0.467 497 V N 3.255 123.201 119.914 0.054 0.000 2.448 497 V HA 0.468 4.588 4.120 0.000 0.000 0.295 497 V C -0.633 175.517 176.094 0.093 0.000 1.025 497 V CA -0.890 61.477 62.300 0.113 0.000 0.859 497 V CB 1.875 33.814 31.823 0.193 0.000 0.988 497 V HN 0.825 nan 8.190 nan 0.000 0.431 498 D N 4.183 124.663 120.400 0.134 0.000 2.252 498 D HA 0.713 5.353 4.640 0.000 0.000 0.245 498 D C -0.745 175.637 176.300 0.137 0.000 1.009 498 D CA -0.203 53.866 54.000 0.116 0.000 0.870 498 D CB 2.616 43.578 40.800 0.270 0.000 1.251 498 D HN 0.317 nan 8.370 nan 0.000 0.460 499 L N 1.387 122.593 121.223 -0.029 0.000 2.408 499 L HA 0.490 4.831 4.340 0.000 0.000 0.268 499 L C -1.040 175.779 176.870 -0.085 0.000 0.986 499 L CA -0.866 54.008 54.840 0.055 0.000 0.820 499 L CB 1.659 43.732 42.059 0.022 0.000 1.303 499 L HN 0.187 nan 8.230 nan 0.000 0.411 500 F N 3.723 123.842 119.950 0.281 0.000 2.434 500 F HA 0.484 5.011 4.527 0.000 0.000 0.355 500 F C -0.291 175.669 175.800 0.267 0.000 1.115 500 F CA -0.370 57.875 58.000 0.408 0.000 1.010 500 F CB 1.377 40.668 39.000 0.484 0.000 1.234 500 F HN 0.167 nan 8.300 nan 0.000 0.439 501 L N 4.117 125.581 121.223 0.402 0.000 2.276 501 L HA 0.781 5.121 4.340 0.000 0.000 0.286 501 L C -0.166 176.877 176.870 0.289 0.000 1.024 501 L CA -0.761 54.242 54.840 0.271 0.000 0.826 501 L CB 1.323 43.543 42.059 0.268 0.000 1.211 501 L HN 0.652 nan 8.230 nan 0.000 0.422 502 A N 2.927 125.756 122.820 0.015 0.000 2.410 502 A HA 0.768 5.088 4.320 0.000 0.000 0.289 502 A C -0.450 177.083 177.584 -0.086 0.000 1.200 502 A CA -0.368 51.590 52.037 -0.131 0.000 0.751 502 A CB 1.658 20.186 19.000 -0.786 0.000 1.161 502 A HN 0.561 nan 8.150 nan 0.000 0.459 503 S N 1.066 116.792 115.700 0.044 0.000 2.611 503 S HA 0.344 4.814 4.470 0.000 0.000 0.270 503 S C -0.025 174.633 174.600 0.096 0.000 1.131 503 S CA -0.263 57.985 58.200 0.081 0.000 0.826 503 S CB 0.973 64.201 63.200 0.046 0.000 1.095 503 S HN 0.630 nan 8.310 nan 0.000 0.461 504 E N 0.446 120.701 120.200 0.093 0.000 2.385 504 E HA 0.073 4.423 4.350 0.000 0.000 0.194 504 E C -0.367 176.308 176.600 0.125 0.000 1.013 504 E CA 0.308 56.764 56.400 0.094 0.000 0.866 504 E CB 0.103 29.842 29.700 0.064 0.000 0.832 504 E HN 0.518 nan 8.360 nan 0.000 0.500 505 D N 0.118 120.592 120.400 0.124 0.000 2.340 505 D HA 0.021 4.661 4.640 0.000 0.000 0.251 505 D C -0.338 176.090 176.300 0.214 0.000 1.080 505 D CA -0.467 53.624 54.000 0.151 0.000 0.971 505 D CB 0.588 41.455 40.800 0.112 0.000 1.137 505 D HN -0.070 nan 8.370 nan 0.000 0.475 506 Y N 1.022 121.377 120.300 0.092 0.000 2.717 506 Y HA -0.084 4.466 4.550 0.000 0.000 0.330 506 Y C 0.822 176.761 175.900 0.065 0.000 1.217 506 Y CA 0.431 58.580 58.100 0.082 0.000 1.506 506 Y CB 0.424 38.911 38.460 0.044 0.000 1.268 506 Y HN 0.185 nan 8.280 nan 0.000 0.561 507 M N 3.105 122.383 119.600 -0.537 0.000 2.304 507 M HA 0.081 4.561 4.480 0.000 0.000 0.281 507 M C 0.137 175.982 176.300 -0.757 0.000 1.014 507 M CA 0.376 55.386 55.300 -0.483 0.000 1.054 507 M CB -0.582 31.930 32.600 -0.147 0.000 1.551 507 M HN 0.815 nan 8.290 nan 0.000 0.548 508 D N 1.393 120.992 120.400 -1.334 0.000 2.746 508 D HA -0.120 4.520 4.640 0.000 0.000 0.241 508 D C 0.676 176.702 176.300 -0.456 0.000 1.140 508 D CA 0.104 53.625 54.000 -0.797 0.000 0.707 508 D CB -0.862 39.643 40.800 -0.492 0.000 1.034 508 D HN 0.122 nan 8.370 nan 0.000 0.423 509 V N 0.700 120.320 119.914 -0.490 0.000 2.490 509 V HA -0.237 3.883 4.120 0.000 0.000 0.250 509 V C 2.792 178.709 176.094 -0.296 0.000 1.061 509 V CA 2.246 64.283 62.300 -0.438 0.000 1.064 509 V CB -0.666 30.773 31.823 -0.640 0.000 0.670 509 V HN 0.606 nan 8.190 nan 0.000 0.461 510 A N -0.623 122.060 122.820 -0.227 0.000 1.908 510 A HA -0.260 4.060 4.320 0.000 0.000 0.218 510 A C 2.554 180.054 177.584 -0.140 0.000 1.181 510 A CA 2.509 54.459 52.037 -0.145 0.000 0.627 510 A CB -0.627 18.329 19.000 -0.072 0.000 0.818 510 A HN 0.491 nan 8.150 nan 0.000 0.445 511 S N -0.921 114.679 115.700 -0.167 0.000 2.356 511 S HA 0.073 4.543 4.470 0.000 0.000 0.219 511 S C 1.868 176.290 174.600 -0.298 0.000 1.036 511 S CA 0.840 58.927 58.200 -0.188 0.000 0.965 511 S CB -0.402 62.688 63.200 -0.184 0.000 0.864 511 S HN 0.463 nan 8.310 nan 0.000 0.471 512 L N 2.209 123.218 121.223 -0.356 0.000 2.201 512 L HA -0.044 4.296 4.340 0.000 0.000 0.212 512 L C 2.611 179.348 176.870 -0.223 0.000 1.105 512 L CA 1.288 55.917 54.840 -0.350 0.000 0.775 512 L CB -0.668 41.226 42.059 -0.274 0.000 0.913 512 L HN 0.479 nan 8.230 nan 0.000 0.440 513 S N -0.909 114.656 115.700 -0.225 0.000 2.469 513 S HA -0.129 4.341 4.470 0.000 0.000 0.238 513 S C 1.632 176.071 174.600 -0.268 0.000 0.998 513 S CA 0.802 58.862 58.200 -0.234 0.000 0.957 513 S CB -0.424 62.632 63.200 -0.240 0.000 0.764 513 S HN 0.460 nan 8.310 nan 0.000 0.514 514 N N 1.672 120.259 118.700 -0.189 0.000 2.309 514 N HA 0.099 4.839 4.740 0.000 0.000 0.182 514 N C 1.638 177.132 175.510 -0.026 0.000 1.018 514 N CA 0.923 53.899 53.050 -0.123 0.000 0.876 514 N CB -0.405 38.148 38.487 0.110 0.000 0.972 514 N HN 0.430 nan 8.380 nan 0.000 0.434 515 L N 0.984 122.216 121.223 0.014 0.000 2.012 515 L HA -0.205 4.135 4.340 0.000 0.000 0.210 515 L C 2.593 179.483 176.870 0.034 0.000 1.073 515 L CA 1.464 56.377 54.840 0.123 0.000 0.748 515 L CB -0.500 41.661 42.059 0.169 0.000 0.891 515 L HN 0.249 nan 8.230 nan 0.000 0.431 516 S N -0.409 115.240 115.700 -0.086 0.000 2.345 516 S HA -0.239 4.231 4.470 0.000 0.000 0.219 516 S C 2.005 176.422 174.600 -0.304 0.000 1.031 516 S CA 0.879 59.002 58.200 -0.129 0.000 0.984 516 S CB -0.570 62.545 63.200 -0.141 0.000 0.874 516 S HN 0.315 nan 8.310 nan 0.000 0.451 517 R N 1.040 121.147 120.500 -0.655 0.000 2.159 517 R HA -0.164 4.176 4.340 0.000 0.000 0.249 517 R C 1.320 177.140 176.300 -0.801 0.000 1.136 517 R CA 2.189 57.597 56.100 -1.154 0.000 0.951 517 R CB -0.584 28.924 30.300 -1.319 0.000 0.876 517 R HN 0.557 nan 8.270 nan 0.000 0.440 518 F N -0.336 119.507 119.950 -0.179 0.000 2.692 518 F HA 0.117 4.645 4.527 0.000 0.000 0.303 518 F C 1.195 177.023 175.800 0.048 0.000 1.114 518 F CA 0.421 58.390 58.000 -0.052 0.000 1.361 518 F CB 0.812 39.828 39.000 0.028 0.000 1.063 518 F HN 0.169 nan 8.300 nan 0.000 0.550 519 T N -3.461 111.144 114.554 0.086 0.000 3.145 519 T HA 0.564 4.914 4.350 0.000 0.000 0.281 519 T C 1.182 175.916 174.700 0.057 0.000 1.003 519 T CA 0.266 62.404 62.100 0.064 0.000 0.901 519 T CB 0.539 69.430 68.868 0.039 0.000 1.112 519 T HN 0.199 nan 8.240 nan 0.000 0.535 520 A N -0.196 122.664 122.820 0.067 0.000 3.153 520 A HA -0.009 4.311 4.320 0.000 0.000 0.265 520 A C 1.209 178.925 177.584 0.220 0.000 1.212 520 A CA 1.179 53.327 52.037 0.183 0.000 1.018 520 A CB -2.200 16.942 19.000 0.237 0.000 1.130 520 A HN 1.259 nan 8.150 nan 0.000 0.873 521 G N -1.978 106.898 108.800 0.126 0.000 2.630 521 G HA2 0.576 4.536 3.960 0.000 0.000 0.223 521 G HA3 0.576 4.536 3.960 0.000 0.000 0.223 521 G C -0.161 174.840 174.900 0.169 0.000 1.434 521 G CA 0.593 45.766 45.100 0.123 0.000 1.057 521 G HN 1.169 nan 8.290 nan 0.000 0.570 522 Q N -2.713 117.114 119.800 0.045 0.000 2.482 522 Q HA 0.556 4.896 4.340 0.000 0.000 0.286 522 Q C -1.358 174.452 176.000 -0.317 0.000 1.007 522 Q CA -0.469 55.284 55.803 -0.084 0.000 0.801 522 Q CB 1.831 30.476 28.738 -0.155 0.000 1.455 522 Q HN 0.487 nan 8.270 nan 0.000 0.398 523 T N 2.529 116.833 114.554 -0.418 0.000 2.807 523 T HA 0.524 4.874 4.350 0.000 0.000 0.279 523 T C -1.339 172.979 174.700 -0.636 0.000 0.993 523 T CA -0.546 61.301 62.100 -0.423 0.000 0.970 523 T CB 0.433 69.152 68.868 -0.249 0.000 0.950 523 T HN 0.384 nan 8.240 nan 0.000 0.441 524 H N 2.152 121.028 119.070 -0.323 0.000 2.539 524 H HA 0.395 4.951 4.556 0.000 0.000 0.332 524 H C -1.202 174.080 175.328 -0.075 0.000 1.031 524 H CA -0.663 55.227 56.048 -0.264 0.000 1.206 524 H CB 1.338 30.898 29.762 -0.337 0.000 1.446 524 H HN 0.471 nan 8.280 nan 0.000 0.496 525 F N 4.012 123.781 119.950 -0.302 0.000 2.444 525 F HA 0.294 4.821 4.527 0.001 0.000 0.342 525 F C -1.346 174.213 175.800 -0.401 0.000 1.121 525 F CA -1.071 56.794 58.000 -0.224 0.000 0.997 525 F CB 0.600 39.487 39.000 -0.189 0.000 1.130 525 F HN 0.327 nan 8.300 nan 0.000 0.454 526 Y N 6.478 126.534 120.300 -0.407 0.000 2.919 526 Y HA 0.399 4.949 4.550 0.000 0.000 0.341 526 Y C -2.358 173.203 175.900 -0.565 0.000 1.045 526 Y CA -3.050 54.859 58.100 -0.318 0.000 1.218 526 Y CB 0.087 38.564 38.460 0.030 0.000 1.137 526 Y HN 0.458 nan 8.280 nan 0.000 0.577 527 P HA 0.000 nan 4.420 nan 0.000 0.263 527 P C 0.995 178.236 177.300 -0.098 0.000 1.175 527 P CA 1.297 64.055 63.100 -0.570 0.000 0.761 527 P CB 0.701 32.115 31.700 -0.478 0.000 0.794 528 G N 2.552 111.350 108.800 -0.002 0.000 2.233 528 G HA2 -0.320 3.641 3.960 0.000 0.000 0.270 528 G HA3 -0.320 3.641 3.960 0.000 0.000 0.270 528 G C 0.165 175.099 174.900 0.056 0.000 1.011 528 G CA -0.280 44.852 45.100 0.054 0.000 0.762 528 G HN 0.562 nan 8.290 nan 0.000 0.511 529 F N 1.352 121.272 119.950 -0.050 0.000 2.629 529 F HA 0.417 4.945 4.527 0.001 0.000 0.377 529 F C 0.611 176.369 175.800 -0.069 0.000 1.101 529 F CA 0.984 58.948 58.000 -0.060 0.000 1.301 529 F CB 0.817 39.740 39.000 -0.129 0.000 1.062 529 F HN 0.311 nan 8.300 nan 0.000 0.583 530 S N 3.999 119.114 115.700 -0.976 0.000 2.605 530 S HA 0.385 4.855 4.470 0.000 0.000 0.279 530 S C 0.561 174.737 174.600 -0.707 0.000 1.166 530 S CA -0.261 57.569 58.200 -0.617 0.000 0.975 530 S CB 0.694 63.737 63.200 -0.261 0.000 1.111 530 S HN 1.106 nan 8.310 nan 0.000 0.465 531 G N 3.460 111.946 108.800 -0.524 0.000 2.501 531 G HA2 -0.163 3.797 3.960 0.000 0.000 0.220 531 G HA3 -0.163 3.797 3.960 0.000 0.000 0.220 531 G C 1.114 175.888 174.900 -0.210 0.000 1.114 531 G CA 0.710 45.618 45.100 -0.320 0.000 0.757 531 G HN 0.753 nan 8.290 nan 0.000 0.559 532 K N 0.330 120.619 120.400 -0.184 0.000 2.280 532 K HA -0.026 4.294 4.320 0.000 0.000 0.202 532 K C 0.014 176.549 176.600 -0.109 0.000 1.047 532 K CA 0.429 56.647 56.287 -0.115 0.000 0.942 532 K CB 0.020 32.468 32.500 -0.087 0.000 0.739 532 K HN 0.221 nan 8.250 nan 0.000 0.457 533 N N 1.505 120.112 118.700 -0.155 0.000 2.589 533 N HA 0.111 4.851 4.740 0.000 0.000 0.232 533 N C -2.307 173.132 175.510 -0.119 0.000 1.015 533 N CA -1.613 51.368 53.050 -0.115 0.000 0.931 533 N CB 1.358 39.780 38.487 -0.109 0.000 1.150 533 N HN -0.174 nan 8.380 nan 0.000 0.512 534 P HA -0.179 nan 4.420 nan 0.000 0.218 534 P C 0.920 178.188 177.300 -0.052 0.000 1.150 534 P CA 1.244 64.307 63.100 -0.062 0.000 0.841 534 P CB 0.403 32.079 31.700 -0.039 0.000 0.784 535 N N -1.122 117.552 118.700 -0.043 0.000 2.457 535 N HA -0.088 4.652 4.740 0.000 0.000 0.180 535 N C 1.027 176.541 175.510 0.006 0.000 1.050 535 N CA 0.911 53.952 53.050 -0.014 0.000 0.906 535 N CB -0.401 38.078 38.487 -0.014 0.000 0.968 535 N HN 0.187 nan 8.380 nan 0.000 0.445 536 D N 0.998 121.367 120.400 -0.051 0.000 2.144 536 D HA -0.033 4.608 4.640 0.000 0.000 0.200 536 D C 2.000 178.362 176.300 0.104 0.000 0.978 536 D CA 0.378 54.356 54.000 -0.038 0.000 0.833 536 D CB 0.011 40.573 40.800 -0.396 0.000 0.961 536 D HN 0.117 nan 8.370 nan 0.000 0.470 537 I N 0.547 121.132 120.570 0.024 0.000 2.179 537 I HA -0.186 3.984 4.170 0.000 0.000 0.242 537 I C 2.428 178.589 176.117 0.073 0.000 1.088 537 I CA 0.716 62.092 61.300 0.126 0.000 1.357 537 I CB -1.159 36.861 38.000 0.034 0.000 1.051 537 I HN -0.044 nan 8.210 nan 0.000 0.409 538 V N 1.215 121.107 119.914 -0.036 0.000 2.282 538 V HA -0.322 3.798 4.120 0.000 0.000 0.249 538 V C 2.655 178.540 176.094 -0.348 0.000 1.057 538 V CA 2.219 64.392 62.300 -0.211 0.000 1.032 538 V CB -0.848 30.829 31.823 -0.244 0.000 0.645 538 V HN 0.431 nan 8.190 nan 0.000 0.447 539 K N -0.589 119.751 120.400 -0.100 0.000 2.001 539 K HA -0.209 4.111 4.320 0.000 0.000 0.208 539 K C 2.174 178.860 176.600 0.143 0.000 1.048 539 K CA 1.892 58.244 56.287 0.108 0.000 0.932 539 K CB -0.342 32.404 32.500 0.410 0.000 0.715 539 K HN 0.334 nan 8.250 nan 0.000 0.437 540 F N 1.643 121.585 119.950 -0.014 0.000 2.095 540 F HA -0.216 4.311 4.527 0.000 0.000 0.298 540 F C 2.176 177.879 175.800 -0.160 0.000 1.104 540 F CA 1.951 59.785 58.000 -0.277 0.000 1.232 540 F CB -0.493 38.242 39.000 -0.441 0.000 0.987 540 F HN 0.025 nan 8.300 nan 0.000 0.475 541 S N -0.446 115.166 115.700 -0.146 0.000 2.356 541 S HA -0.198 4.273 4.470 0.000 0.000 0.223 541 S C 1.963 176.468 174.600 -0.158 0.000 1.032 541 S CA 1.791 59.892 58.200 -0.166 0.000 1.005 541 S CB -0.834 62.332 63.200 -0.057 0.000 0.867 541 S HN 0.484 nan 8.310 nan 0.000 0.449 542 T N 2.506 116.963 114.554 -0.161 0.000 2.652 542 T HA -0.142 4.209 4.350 0.000 0.000 0.267 542 T C 1.758 176.443 174.700 -0.024 0.000 1.039 542 T CA 1.472 63.505 62.100 -0.112 0.000 1.153 542 T CB -0.405 68.332 68.868 -0.219 0.000 0.863 542 T HN 0.514 nan 8.240 nan 0.000 0.428 543 E N 0.011 120.214 120.200 0.005 0.000 2.106 543 E HA -0.059 4.291 4.350 0.000 0.000 0.192 543 E C 1.906 178.521 176.600 0.025 0.000 0.984 543 E CA 0.759 57.200 56.400 0.069 0.000 0.806 543 E CB -0.243 29.570 29.700 0.188 0.000 0.750 543 E HN 0.413 nan 8.360 nan 0.000 0.458 544 F N 1.419 121.118 119.950 -0.419 0.000 2.234 544 F HA -0.087 4.440 4.527 0.000 0.000 0.299 544 F C 2.113 177.761 175.800 -0.253 0.000 1.087 544 F CA 1.090 58.709 58.000 -0.636 0.000 1.340 544 F CB -0.175 38.091 39.000 -1.224 0.000 1.031 544 F HN -0.074 nan 8.300 nan 0.000 0.500 545 A N 0.172 122.899 122.820 -0.155 0.000 1.854 545 A HA -0.143 4.177 4.320 0.000 0.000 0.214 545 A C 2.292 179.836 177.584 -0.067 0.000 1.192 545 A CA 1.508 53.465 52.037 -0.133 0.000 0.611 545 A CB -0.607 18.354 19.000 -0.065 0.000 0.832 545 A HN 0.349 nan 8.150 nan 0.000 0.442 546 K N -1.341 119.067 120.400 0.012 0.000 2.097 546 K HA -0.211 4.110 4.320 0.000 0.000 0.206 546 K C 2.059 178.706 176.600 0.079 0.000 1.049 546 K CA 1.698 58.034 56.287 0.082 0.000 0.933 546 K CB -0.322 32.241 32.500 0.105 0.000 0.717 546 K HN 0.723 nan 8.250 nan 0.000 0.442 547 H N 1.608 120.675 119.070 -0.004 0.000 2.321 547 H HA -0.077 4.479 4.556 0.000 0.000 0.300 547 H C 1.831 177.193 175.328 0.057 0.000 1.087 547 H CA 1.962 58.053 56.048 0.072 0.000 1.319 547 H CB -0.119 29.785 29.762 0.235 0.000 1.379 547 H HN 0.279 nan 8.280 nan 0.000 0.501 548 I N -1.077 119.397 120.570 -0.161 0.000 2.676 548 I HA -0.058 4.112 4.170 0.000 0.000 0.259 548 I C 2.108 178.193 176.117 -0.052 0.000 1.194 548 I CA 1.259 62.478 61.300 -0.136 0.000 1.473 548 I CB -0.425 37.438 38.000 -0.228 0.000 1.096 548 I HN 0.303 nan 8.210 nan 0.000 0.443 549 S N 1.023 116.715 115.700 -0.014 0.000 2.527 549 S HA 0.052 4.522 4.470 0.000 0.000 0.222 549 S C 1.152 175.861 174.600 0.182 0.000 0.985 549 S CA -0.336 57.914 58.200 0.083 0.000 0.921 549 S CB -0.419 62.873 63.200 0.154 0.000 0.772 549 S HN 0.557 nan 8.310 nan 0.000 0.529 550 M N 2.805 122.450 119.600 0.074 0.000 2.248 550 M HA 0.136 4.616 4.480 0.000 0.000 0.345 550 M C -0.890 175.443 176.300 0.055 0.000 1.243 550 M CA 0.078 55.380 55.300 0.004 0.000 1.090 550 M CB 0.331 32.903 32.600 -0.046 0.000 1.683 550 M HN 0.043 nan 8.290 nan 0.000 0.450 551 D N 4.688 125.099 120.400 0.018 0.000 2.357 551 D HA 0.474 5.114 4.640 0.000 0.000 0.242 551 D C -0.871 175.416 176.300 -0.022 0.000 1.153 551 D CA 0.561 54.537 54.000 -0.041 0.000 0.918 551 D CB 0.684 41.490 40.800 0.009 0.000 1.181 551 D HN 0.498 nan 8.370 nan 0.000 0.435 552 F N -1.543 118.361 119.950 -0.077 0.000 2.741 552 F HA 0.464 4.991 4.527 0.000 0.000 0.311 552 F C -1.342 174.398 175.800 -0.100 0.000 1.149 552 F CA -1.399 56.523 58.000 -0.129 0.000 0.930 552 F CB 0.196 39.146 39.000 -0.083 0.000 1.312 552 F HN 0.221 nan 8.300 nan 0.000 0.450 553 C N 1.614 121.076 119.300 0.269 0.000 2.345 553 C HA 0.884 5.344 4.460 0.000 0.000 0.370 553 C C -0.118 175.033 174.990 0.269 0.000 1.209 553 C CA -0.618 58.512 59.018 0.187 0.000 2.133 553 C CB 1.362 29.157 27.740 0.091 0.000 2.293 553 C HN 0.837 nan 8.230 nan 0.000 0.544 554 M N 0.319 120.023 119.600 0.174 0.000 2.572 554 M HA 0.342 4.822 4.480 0.000 0.000 0.299 554 M C -0.119 176.235 176.300 0.090 0.000 1.205 554 M CA -0.148 55.231 55.300 0.131 0.000 0.876 554 M CB 1.398 34.075 32.600 0.128 0.000 1.728 554 M HN 0.815 nan 8.290 nan 0.000 0.458 555 E N -0.440 119.802 120.200 0.070 0.000 2.269 555 E HA -0.164 4.186 4.350 0.000 0.000 0.223 555 E C -0.944 175.708 176.600 0.087 0.000 1.244 555 E CA 0.375 56.813 56.400 0.064 0.000 0.713 555 E CB -1.560 28.168 29.700 0.047 0.000 1.178 555 E HN 0.645 nan 8.360 nan 0.000 0.370 556 T N 0.159 114.785 114.554 0.121 0.000 2.902 556 T HA 0.554 4.904 4.350 0.000 0.000 0.283 556 T C 0.125 174.933 174.700 0.180 0.000 1.009 556 T CA -0.434 61.733 62.100 0.112 0.000 1.051 556 T CB 1.908 70.808 68.868 0.054 0.000 0.999 556 T HN 0.262 nan 8.240 nan 0.000 0.474 557 V N 0.797 120.787 119.914 0.126 0.000 2.841 557 V HA 0.831 4.951 4.120 0.000 0.000 0.310 557 V C -0.862 175.283 176.094 0.085 0.000 1.090 557 V CA -1.133 61.261 62.300 0.157 0.000 0.930 557 V CB 1.937 33.823 31.823 0.105 0.000 1.014 557 V HN 0.956 nan 8.190 nan 0.000 0.425 558 M N 4.806 124.474 119.600 0.112 0.000 2.393 558 M HA 0.799 5.279 4.480 0.000 0.000 0.299 558 M C -0.944 175.412 176.300 0.093 0.000 1.103 558 M CA -0.586 54.745 55.300 0.051 0.000 0.910 558 M CB 2.167 34.747 32.600 -0.033 0.000 1.659 558 M HN 1.097 nan 8.290 nan 0.000 0.445 559 R N 3.369 123.941 120.500 0.119 0.000 2.739 559 R HA 0.907 5.247 4.340 0.000 0.000 0.271 559 R C -2.344 174.104 176.300 0.247 0.000 1.010 559 R CA -0.736 55.473 56.100 0.182 0.000 0.897 559 R CB 2.018 32.369 30.300 0.086 0.000 1.236 559 R HN 0.746 nan 8.270 nan 0.000 0.466 560 A N 3.104 126.147 122.820 0.372 0.000 2.343 560 A HA 0.609 4.930 4.320 0.000 0.000 0.316 560 A C -0.881 176.832 177.584 0.214 0.000 1.104 560 A CA -0.919 51.298 52.037 0.299 0.000 0.768 560 A CB 1.320 20.586 19.000 0.444 0.000 1.213 560 A HN 0.750 nan 8.150 nan 0.000 0.456 561 R N 1.335 121.905 120.500 0.116 0.000 2.393 561 R HA 0.553 4.893 4.340 0.000 0.000 0.310 561 R C 0.272 176.671 176.300 0.165 0.000 0.968 561 R CA -0.261 55.869 56.100 0.051 0.000 0.867 561 R CB 2.107 32.316 30.300 -0.151 0.000 1.124 561 R HN 0.813 nan 8.270 nan 0.000 0.450 562 G N 0.781 109.722 108.800 0.235 0.000 2.417 562 G HA2 0.294 4.255 3.960 0.000 0.000 0.334 562 G HA3 0.294 4.255 3.960 0.000 0.000 0.334 562 G C -0.131 175.061 174.900 0.487 0.000 1.150 562 G CA -0.569 44.745 45.100 0.357 0.000 0.923 562 G HN 0.600 nan 8.290 nan 0.000 0.485 563 S N 0.104 116.117 115.700 0.522 0.000 2.589 563 S HA 0.271 4.741 4.470 0.000 0.000 0.265 563 S C 0.621 175.378 174.600 0.261 0.000 1.342 563 S CA -0.271 58.180 58.200 0.419 0.000 1.005 563 S CB 0.484 63.835 63.200 0.252 0.000 0.909 563 S HN 0.633 nan 8.310 nan 0.000 0.555 564 T N 1.967 116.648 114.554 0.211 0.000 2.765 564 T HA 0.377 4.727 4.350 0.000 0.000 0.275 564 T C 1.537 176.310 174.700 0.121 0.000 1.007 564 T CA 1.196 63.383 62.100 0.145 0.000 1.175 564 T CB -0.711 68.226 68.868 0.115 0.000 0.993 564 T HN 1.585 nan 8.240 nan 0.000 0.510 565 G N 2.724 111.588 108.800 0.106 0.000 2.254 565 G HA2 -0.195 3.765 3.960 0.000 0.000 0.225 565 G HA3 -0.195 3.765 3.960 0.000 0.000 0.225 565 G C 0.030 174.994 174.900 0.107 0.000 1.003 565 G CA -0.456 44.700 45.100 0.093 0.000 0.622 565 G HN 0.677 nan 8.290 nan 0.000 0.507 566 L N 0.856 122.157 121.223 0.130 0.000 2.307 566 L HA 0.760 5.100 4.340 0.000 0.000 0.282 566 L C 0.606 177.532 176.870 0.093 0.000 1.051 566 L CA -0.793 54.123 54.840 0.126 0.000 0.804 566 L CB 1.705 43.859 42.059 0.158 0.000 1.197 566 L HN 0.229 nan 8.230 nan 0.000 0.431 567 R N 3.251 123.780 120.500 0.049 0.000 2.686 567 R HA 0.519 4.859 4.340 0.000 0.000 0.283 567 R C -1.207 175.080 176.300 -0.021 0.000 0.978 567 R CA -0.907 55.214 56.100 0.035 0.000 0.897 567 R CB 1.710 32.030 30.300 0.034 0.000 1.192 567 R HN 0.451 nan 8.270 nan 0.000 0.457 568 M N 3.355 122.952 119.600 -0.006 0.000 2.077 568 M HA 0.154 4.634 4.480 0.000 0.000 0.348 568 M C 0.867 177.016 176.300 -0.251 0.000 1.252 568 M CA 0.049 55.272 55.300 -0.127 0.000 1.096 568 M CB 0.756 33.368 32.600 0.020 0.000 1.568 568 M HN 0.714 nan 8.290 nan 0.000 0.456 569 S N 2.549 118.048 115.700 -0.335 0.000 2.475 569 S HA 0.280 4.751 4.470 0.000 0.000 0.224 569 S C 0.770 175.088 174.600 -0.469 0.000 1.042 569 S CA -0.045 57.991 58.200 -0.273 0.000 0.935 569 S CB 0.665 63.795 63.200 -0.117 0.000 0.801 569 S HN 0.604 nan 8.310 nan 0.000 0.509 570 R N 0.374 120.444 120.500 -0.717 0.000 2.795 570 R HA 0.640 4.980 4.340 0.000 0.000 0.275 570 R C -1.956 173.653 176.300 -1.152 0.000 0.981 570 R CA -0.724 54.945 56.100 -0.719 0.000 0.917 570 R CB 1.097 31.238 30.300 -0.265 0.000 1.202 570 R HN 0.306 nan 8.270 nan 0.000 0.469 571 F N 1.369 121.096 119.950 -0.371 0.000 2.536 571 F HA 0.466 4.993 4.527 0.000 0.000 0.322 571 F C -0.599 175.176 175.800 -0.041 0.000 1.144 571 F CA -0.801 57.094 58.000 -0.175 0.000 0.924 571 F CB 1.326 40.165 39.000 -0.268 0.000 1.181 571 F HN 0.292 nan 8.300 nan 0.000 0.438 572 Y N 0.820 121.482 120.300 0.603 0.000 2.509 572 Y HA 0.851 5.401 4.550 0.000 0.000 0.341 572 Y C 0.576 176.857 175.900 0.636 0.000 1.038 572 Y CA -1.211 57.140 58.100 0.419 0.000 1.089 572 Y CB 2.328 40.907 38.460 0.199 0.000 1.241 572 Y HN 0.894 nan 8.280 nan 0.000 0.468 573 G N 0.237 109.289 108.800 0.420 0.000 2.381 573 G HA2 -0.077 3.883 3.960 0.000 0.000 0.672 573 G HA3 -0.077 3.883 3.960 0.000 0.000 0.672 573 G C -1.843 173.060 174.900 0.004 0.000 1.324 573 G CA -1.261 44.125 45.100 0.477 0.000 0.975 573 G HN 0.816 nan 8.290 nan 0.000 0.593 574 H N 0.147 119.283 119.070 0.110 0.000 2.864 574 H HA 0.556 5.112 4.556 0.000 0.000 0.281 574 H C 0.404 175.685 175.328 -0.078 0.000 1.093 574 H CA 0.556 56.528 56.048 -0.126 0.000 1.453 574 H CB 0.126 29.893 29.762 0.008 0.000 1.462 574 H HN 0.684 nan 8.280 nan 0.000 0.480 575 F N 0.974 120.883 119.950 -0.070 0.000 3.265 575 F HA 0.286 4.813 4.527 0.000 0.000 0.328 575 F C -2.309 173.450 175.800 -0.070 0.000 1.117 575 F CA -1.605 56.163 58.000 -0.387 0.000 0.850 575 F CB 0.819 39.135 39.000 -1.140 0.000 1.470 575 F HN 0.194 nan 8.300 nan 0.000 0.473 576 F N 2.913 122.916 119.950 0.089 0.000 2.402 576 F HA 0.597 5.124 4.527 0.000 0.000 0.355 576 F C -0.789 175.082 175.800 0.119 0.000 1.123 576 F CA -0.448 57.604 58.000 0.086 0.000 1.021 576 F CB 0.848 39.854 39.000 0.010 0.000 1.160 576 F HN 0.679 nan 8.300 nan 0.000 0.451 577 N N 6.508 124.969 118.700 -0.399 0.000 2.478 577 N HA 0.333 5.073 4.740 0.000 0.000 0.291 577 N C -0.620 174.598 175.510 -0.487 0.000 1.090 577 N CA -0.341 52.521 53.050 -0.313 0.000 0.911 577 N CB 1.947 40.407 38.487 -0.045 0.000 1.546 577 N HN 0.795 nan 8.380 nan 0.000 0.500 578 R N 1.185 121.436 120.500 -0.414 0.000 2.013 578 R HA 0.309 4.649 4.340 0.000 0.000 0.198 578 R C 0.249 176.442 176.300 -0.179 0.000 1.407 578 R CA 0.319 56.223 56.100 -0.327 0.000 1.140 578 R CB 0.074 30.217 30.300 -0.263 0.000 1.011 578 R HN 0.458 nan 8.270 nan 0.000 0.472 579 S N 0.478 116.101 115.700 -0.128 0.000 2.901 579 S HA 0.197 4.667 4.470 0.000 0.000 0.248 579 S C -0.717 173.842 174.600 -0.067 0.000 1.021 579 S CA -0.540 57.613 58.200 -0.077 0.000 1.090 579 S CB 1.097 64.264 63.200 -0.056 0.000 1.039 579 S HN 0.380 nan 8.310 nan 0.000 0.514 580 S N 0.807 116.440 115.700 -0.112 0.000 2.851 580 S HA 0.525 4.996 4.470 0.000 0.000 0.313 580 S C -0.496 173.974 174.600 -0.217 0.000 1.163 580 S CA -0.606 57.524 58.200 -0.117 0.000 0.850 580 S CB 1.089 64.220 63.200 -0.115 0.000 1.245 580 S HN 0.153 nan 8.310 nan 0.000 0.558 581 D N -0.422 119.856 120.400 -0.205 0.000 2.368 581 D HA 0.197 4.837 4.640 0.000 0.000 0.218 581 D C 0.063 176.057 176.300 -0.510 0.000 1.112 581 D CA -0.164 53.656 54.000 -0.300 0.000 0.834 581 D CB -0.111 40.696 40.800 0.011 0.000 0.953 581 D HN 0.294 nan 8.370 nan 0.000 0.505 582 L N 1.024 121.996 121.223 -0.419 0.000 2.296 582 L HA 0.371 4.711 4.340 0.000 0.000 0.286 582 L C -1.111 175.546 176.870 -0.356 0.000 1.023 582 L CA -0.520 54.144 54.840 -0.294 0.000 0.812 582 L CB 1.609 43.596 42.059 -0.120 0.000 1.223 582 L HN -0.004 nan 8.230 nan 0.000 0.421 583 C N 4.859 123.967 119.300 -0.320 0.000 2.273 583 C HA 0.811 5.271 4.460 0.000 0.000 0.328 583 C C 0.582 175.545 174.990 -0.045 0.000 1.275 583 C CA -0.921 57.885 59.018 -0.354 0.000 1.704 583 C CB -0.033 27.247 27.740 -0.768 0.000 2.326 583 C HN 0.908 nan 8.230 nan 0.000 0.517 584 A N 3.427 126.255 122.820 0.013 0.000 2.290 584 A HA 0.836 5.156 4.320 0.000 0.000 0.310 584 A C -0.905 176.720 177.584 0.068 0.000 1.202 584 A CA -0.219 51.908 52.037 0.150 0.000 0.837 584 A CB 0.171 19.281 19.000 0.183 0.000 1.139 584 A HN 0.713 nan 8.150 nan 0.000 0.509 585 F N 2.043 122.048 119.950 0.092 0.000 2.434 585 F HA 0.301 4.828 4.527 0.000 0.000 0.355 585 F C 1.415 177.242 175.800 0.044 0.000 1.115 585 F CA -0.435 57.623 58.000 0.097 0.000 1.010 585 F CB 1.720 40.762 39.000 0.070 0.000 1.234 585 F HN 0.563 nan 8.300 nan 0.000 0.439 586 S N 0.845 116.629 115.700 0.138 0.000 2.400 586 S HA -0.094 4.376 4.470 0.000 0.000 0.232 586 S C 0.830 175.454 174.600 0.040 0.000 1.025 586 S CA 1.705 59.929 58.200 0.039 0.000 0.993 586 S CB -0.254 62.921 63.200 -0.041 0.000 0.808 586 S HN 0.766 nan 8.310 nan 0.000 0.478 587 T N -1.307 113.288 114.554 0.068 0.000 2.956 587 T HA 0.617 4.967 4.350 0.000 0.000 0.312 587 T C -0.882 173.911 174.700 0.155 0.000 1.151 587 T CA -0.779 61.325 62.100 0.007 0.000 1.024 587 T CB 1.732 70.381 68.868 -0.365 0.000 1.140 587 T HN 0.092 nan 8.240 nan 0.000 0.473 588 M N 4.361 124.048 119.600 0.145 0.000 2.114 588 M HA 0.452 4.932 4.480 0.000 0.000 0.332 588 M C -2.517 173.861 176.300 0.129 0.000 1.014 588 M CA -2.111 53.279 55.300 0.150 0.000 0.956 588 M CB 1.823 34.380 32.600 -0.072 0.000 1.551 588 M HN 0.473 nan 8.290 nan 0.000 0.427 589 P HA 0.221 nan 4.420 nan 0.000 0.302 589 P C -0.523 176.835 177.300 0.096 0.000 1.301 589 P CA 0.001 63.193 63.100 0.154 0.000 0.745 589 P CB 0.880 32.700 31.700 0.199 0.000 1.331 590 R N -0.705 119.833 120.500 0.063 0.000 2.369 590 R HA 0.060 4.400 4.340 0.000 0.000 0.210 590 R C 0.995 177.327 176.300 0.053 0.000 0.881 590 R CA 0.628 56.747 56.100 0.031 0.000 1.031 590 R CB -0.496 29.770 30.300 -0.057 0.000 1.184 590 R HN 0.560 nan 8.270 nan 0.000 0.581 591 D N 0.449 120.875 120.400 0.043 0.000 2.336 591 D HA 0.027 4.667 4.640 0.000 0.000 0.228 591 D C 0.205 176.480 176.300 -0.042 0.000 1.120 591 D CA 0.052 54.049 54.000 -0.005 0.000 0.839 591 D CB 0.327 41.129 40.800 0.003 0.000 0.932 591 D HN 0.091 nan 8.370 nan 0.000 0.509 592 Q N -0.494 119.279 119.800 -0.045 0.000 2.495 592 Q HA 0.567 4.907 4.340 0.000 0.000 0.283 592 Q C -0.993 174.770 176.000 -0.396 0.000 1.097 592 Q CA -0.984 54.692 55.803 -0.211 0.000 0.836 592 Q CB 2.268 30.880 28.738 -0.211 0.000 1.426 592 Q HN 0.029 nan 8.270 nan 0.000 0.459 593 S N -0.693 114.642 115.700 -0.608 0.000 2.632 593 S HA 0.759 5.229 4.470 0.000 0.000 0.289 593 S C -1.879 172.212 174.600 -0.849 0.000 1.115 593 S CA -0.352 57.490 58.200 -0.596 0.000 0.889 593 S CB 0.771 63.847 63.200 -0.206 0.000 1.116 593 S HN 0.459 nan 8.310 nan 0.000 0.486 594 Y N 0.583 120.998 120.300 0.192 0.000 2.638 594 Y HA 0.748 5.298 4.550 0.000 0.000 0.339 594 Y C -0.616 175.440 175.900 0.260 0.000 1.084 594 Y CA -1.041 57.248 58.100 0.315 0.000 1.068 594 Y CB 1.642 40.346 38.460 0.407 0.000 1.294 594 Y HN 0.659 nan 8.280 nan 0.000 0.480 595 L N 1.557 123.133 121.223 0.588 0.000 2.464 595 L HA 0.646 4.986 4.340 0.000 0.000 0.266 595 L C -2.178 175.177 176.870 0.807 0.000 0.965 595 L CA -0.532 54.602 54.840 0.490 0.000 0.833 595 L CB 1.348 43.586 42.059 0.298 0.000 1.296 595 L HN 0.493 nan 8.230 nan 0.000 0.405 596 F N 2.612 122.700 119.950 0.230 0.000 2.482 596 F HA 0.469 4.996 4.527 0.000 0.000 0.331 596 F C 0.264 176.085 175.800 0.035 0.000 1.115 596 F CA -0.928 57.122 58.000 0.082 0.000 0.955 596 F CB 1.933 40.966 39.000 0.055 0.000 1.136 596 F HN 0.451 nan 8.300 nan 0.000 0.452 597 E N 2.267 122.527 120.200 0.099 0.000 2.249 597 E HA 0.582 4.932 4.350 0.000 0.000 0.280 597 E C -1.510 175.032 176.600 -0.096 0.000 1.016 597 E CA -0.446 56.028 56.400 0.124 0.000 0.830 597 E CB 1.393 31.202 29.700 0.181 0.000 1.081 597 E HN 0.399 nan 8.360 nan 0.000 0.395 598 V N 4.295 124.085 119.914 -0.206 0.000 2.448 598 V HA 0.329 4.450 4.120 0.000 0.000 0.295 598 V C -0.607 175.386 176.094 -0.169 0.000 1.025 598 V CA -1.024 61.048 62.300 -0.380 0.000 0.859 598 V CB 1.621 32.803 31.823 -1.068 0.000 0.988 598 V HN 0.649 nan 8.190 nan 0.000 0.431 599 N N 2.313 120.981 118.700 -0.052 0.000 2.399 599 N HA 0.577 5.317 4.740 0.000 0.000 0.295 599 N C -0.788 174.780 175.510 0.096 0.000 1.048 599 N CA -0.384 52.699 53.050 0.055 0.000 0.886 599 N CB 2.155 40.663 38.487 0.035 0.000 1.185 599 N HN 0.443 nan 8.380 nan 0.000 0.487 600 V N 2.778 122.781 119.914 0.149 0.000 2.348 600 V HA 0.177 4.297 4.120 0.000 0.000 0.270 600 V C 0.231 176.376 176.094 0.085 0.000 1.037 600 V CA -0.321 62.062 62.300 0.138 0.000 0.872 600 V CB 0.986 32.897 31.823 0.147 0.000 1.002 600 V HN 0.643 nan 8.190 nan 0.000 0.464 601 D N 2.658 123.100 120.400 0.071 0.000 2.278 601 D HA 0.062 4.702 4.640 0.000 0.000 0.228 601 D C 0.787 177.114 176.300 0.046 0.000 1.020 601 D CA 0.684 54.716 54.000 0.053 0.000 0.922 601 D CB 0.295 41.124 40.800 0.048 0.000 1.051 601 D HN 0.629 nan 8.370 nan 0.000 0.452 602 E N 0.845 121.074 120.200 0.048 0.000 2.345 602 E HA 0.354 4.704 4.350 0.000 0.000 0.259 602 E C -0.332 176.290 176.600 0.038 0.000 1.117 602 E CA -0.260 56.164 56.400 0.039 0.000 0.913 602 E CB 0.987 30.712 29.700 0.041 0.000 1.057 602 E HN -0.111 nan 8.360 nan 0.000 0.432 603 S N 1.168 116.884 115.700 0.027 0.000 2.528 603 S HA 0.159 4.629 4.470 0.000 0.000 0.277 603 S C 0.406 175.018 174.600 0.020 0.000 1.297 603 S CA -0.454 57.757 58.200 0.018 0.000 1.052 603 S CB 0.118 63.322 63.200 0.008 0.000 0.917 603 S HN 0.270 nan 8.310 nan 0.000 0.492 604 I N 3.967 124.545 120.570 0.013 0.000 2.588 604 I HA 0.049 4.219 4.170 0.000 0.000 0.283 604 I C 1.060 177.176 176.117 -0.002 0.000 1.119 604 I CA -0.147 61.160 61.300 0.011 0.000 1.419 604 I CB 0.578 38.574 38.000 -0.007 0.000 1.394 604 I HN 0.600 nan 8.210 nan 0.000 0.562 605 M N 4.086 123.692 119.600 0.010 0.000 2.567 605 M HA 0.243 4.723 4.480 0.000 0.000 0.261 605 M C 0.832 177.132 176.300 0.001 0.000 1.180 605 M CA 0.271 55.574 55.300 0.005 0.000 1.143 605 M CB -0.665 31.947 32.600 0.019 0.000 1.319 605 M HN 0.646 nan 8.290 nan 0.000 0.490 606 A N 0.956 123.784 122.820 0.014 0.000 2.287 606 A HA 0.234 4.554 4.320 0.000 0.000 0.273 606 A C 0.563 178.108 177.584 -0.067 0.000 1.091 606 A CA -0.239 51.814 52.037 0.026 0.000 0.817 606 A CB 0.285 19.348 19.000 0.105 0.000 1.069 606 A HN 0.249 nan 8.150 nan 0.000 0.492 607 D N -0.956 119.376 120.400 -0.115 0.000 2.363 607 D HA 0.138 4.779 4.640 0.000 0.000 0.226 607 D C -0.876 174.916 176.300 -0.846 0.000 1.020 607 D CA 1.427 55.160 54.000 -0.444 0.000 0.892 607 D CB -0.150 40.337 40.800 -0.522 0.000 0.900 607 D HN 0.468 nan 8.370 nan 0.000 0.531 608 Y N -0.887 119.317 120.300 -0.161 0.000 2.571 608 Y HA 0.357 4.907 4.550 0.000 0.000 0.341 608 Y C 0.085 175.693 175.900 -0.486 0.000 1.076 608 Y CA -1.554 56.325 58.100 -0.369 0.000 1.029 608 Y CB 1.342 39.519 38.460 -0.472 0.000 1.308 608 Y HN -0.079 nan 8.280 nan 0.000 0.461 609 C N -0.422 118.563 119.300 -0.526 0.000 2.971 609 C HA 0.957 5.418 4.460 0.000 0.000 0.310 609 C C -1.603 172.924 174.990 -0.772 0.000 1.285 609 C CA -1.147 57.623 59.018 -0.414 0.000 1.593 609 C CB 0.982 28.654 27.740 -0.113 0.000 2.076 609 C HN 0.748 nan 8.230 nan 0.000 0.472 610 Y N -0.598 119.610 120.300 -0.154 0.000 2.615 610 Y HA 0.788 5.338 4.550 0.000 0.000 0.341 610 Y C -0.329 175.646 175.900 0.126 0.000 1.089 610 Y CA -1.168 56.802 58.100 -0.218 0.000 1.049 610 Y CB 1.809 39.825 38.460 -0.741 0.000 1.296 610 Y HN 0.645 nan 8.280 nan 0.000 0.470 611 V N 1.636 121.804 119.914 0.423 0.000 2.686 611 V HA 0.467 4.588 4.120 0.000 0.000 0.306 611 V C -1.173 175.213 176.094 0.486 0.000 1.065 611 V CA -0.833 61.746 62.300 0.465 0.000 0.894 611 V CB 1.991 33.962 31.823 0.246 0.000 1.004 611 V HN 0.768 nan 8.190 nan 0.000 0.424 612 Q N 3.104 123.138 119.800 0.389 0.000 2.290 612 Q HA 0.634 4.974 4.340 0.000 0.000 0.269 612 Q C -1.780 174.277 176.000 0.094 0.000 1.016 612 Q CA -0.405 55.532 55.803 0.223 0.000 0.754 612 Q CB 2.289 31.079 28.738 0.088 0.000 1.247 612 Q HN 0.597 nan 8.270 nan 0.000 0.451 613 V N 2.508 122.454 119.914 0.054 0.000 2.465 613 V HA 0.714 4.834 4.120 0.000 0.000 0.279 613 V C -0.194 175.868 176.094 -0.054 0.000 1.045 613 V CA -0.308 61.993 62.300 0.001 0.000 0.938 613 V CB 1.222 33.013 31.823 -0.054 0.000 0.986 613 V HN 0.815 nan 8.190 nan 0.000 0.467 614 A N 4.846 127.643 122.820 -0.037 0.000 2.343 614 A HA 0.830 5.151 4.320 0.000 0.000 0.316 614 A C -1.018 176.522 177.584 -0.073 0.000 1.104 614 A CA -0.510 51.466 52.037 -0.102 0.000 0.768 614 A CB 1.742 20.739 19.000 -0.005 0.000 1.213 614 A HN 0.632 nan 8.150 nan 0.000 0.456 615 V N 3.616 123.457 119.914 -0.122 0.000 2.409 615 V HA 0.319 4.439 4.120 0.000 0.000 0.290 615 V C -0.806 175.249 176.094 -0.065 0.000 1.017 615 V CA -0.394 61.849 62.300 -0.095 0.000 0.841 615 V CB 1.199 32.940 31.823 -0.138 0.000 1.003 615 V HN 0.808 nan 8.190 nan 0.000 0.426 616 L N 8.115 129.333 121.223 -0.008 0.000 2.260 616 L HA 0.784 5.124 4.340 0.000 0.000 0.289 616 L C -0.588 176.301 176.870 0.032 0.000 1.057 616 L CA 0.143 54.997 54.840 0.024 0.000 0.811 616 L CB 0.860 42.981 42.059 0.104 0.000 1.184 616 L HN 0.642 nan 8.230 nan 0.000 0.429 617 L N 1.945 123.185 121.223 0.028 0.000 2.409 617 L HA 0.766 5.106 4.340 0.000 0.000 0.255 617 L C -0.501 176.401 176.870 0.053 0.000 1.027 617 L CA -0.619 54.251 54.840 0.048 0.000 0.834 617 L CB 1.979 44.075 42.059 0.061 0.000 1.426 617 L HN 0.290 nan 8.230 nan 0.000 0.411 618 S N 1.942 117.680 115.700 0.063 0.000 2.532 618 S HA 0.609 5.079 4.470 0.000 0.000 0.318 618 S C -0.413 174.223 174.600 0.061 0.000 1.083 618 S CA -0.365 57.870 58.200 0.058 0.000 1.131 618 S CB 0.680 63.915 63.200 0.059 0.000 0.973 618 S HN 0.619 nan 8.310 nan 0.000 0.468 619 L N 3.772 125.024 121.223 0.048 0.000 2.473 619 L HA 0.292 4.632 4.340 0.000 0.000 0.268 619 L C 0.915 177.797 176.870 0.019 0.000 1.215 619 L CA 0.098 54.959 54.840 0.034 0.000 0.823 619 L CB 0.350 42.424 42.059 0.026 0.000 1.099 619 L HN 0.649 nan 8.230 nan 0.000 0.483 620 N N 1.962 120.654 118.700 -0.013 0.000 3.115 620 N HA -0.021 4.719 4.740 0.000 0.000 0.305 620 N C -0.441 175.111 175.510 0.070 0.000 1.305 620 N CA 0.113 53.144 53.050 -0.031 0.000 1.154 620 N CB -0.932 37.435 38.487 -0.200 0.000 1.454 620 N HN 0.713 nan 8.380 nan 0.000 0.551 621 N N -1.568 117.161 118.700 0.049 0.000 2.261 621 N HA -0.019 4.721 4.740 0.000 0.000 0.241 621 N C -0.842 174.690 175.510 0.037 0.000 1.374 621 N CA -0.438 52.650 53.050 0.062 0.000 0.802 621 N CB -0.190 38.309 38.487 0.020 0.000 1.339 621 N HN 0.027 nan 8.380 nan 0.000 0.498 622 S N -0.191 115.529 115.700 0.033 0.000 3.561 622 S HA -0.197 4.273 4.470 0.000 0.000 0.318 622 S C -0.545 174.070 174.600 0.026 0.000 1.181 622 S CA 0.773 58.990 58.200 0.030 0.000 0.916 622 S CB -1.522 61.695 63.200 0.029 0.000 0.966 622 S HN 0.732 nan 8.310 nan 0.000 0.550 623 Q N -0.293 119.521 119.800 0.025 0.000 2.365 623 Q HA 0.663 5.003 4.340 0.000 0.000 0.269 623 Q C -0.243 175.773 176.000 0.026 0.000 1.061 623 Q CA -0.957 54.859 55.803 0.022 0.000 0.816 623 Q CB 1.563 30.309 28.738 0.013 0.000 1.325 623 Q HN 0.159 nan 8.270 nan 0.000 0.446 624 R N 1.690 122.205 120.500 0.025 0.000 2.265 624 R HA 0.405 4.745 4.340 0.000 0.000 0.319 624 R C -0.950 175.352 176.300 0.003 0.000 1.006 624 R CA 0.103 56.218 56.100 0.025 0.000 0.880 624 R CB 0.674 30.998 30.300 0.040 0.000 1.077 624 R HN 0.567 nan 8.270 nan 0.000 0.454 625 R N 3.641 124.139 120.500 -0.005 0.000 2.855 625 R HA 0.592 4.932 4.340 0.000 0.000 0.266 625 R C -0.690 175.572 176.300 -0.062 0.000 1.034 625 R CA -1.003 55.082 56.100 -0.025 0.000 0.944 625 R CB 1.872 32.173 30.300 0.001 0.000 1.219 625 R HN 0.469 nan 8.270 nan 0.000 0.474 626 I N 1.412 121.939 120.570 -0.072 0.000 2.468 626 I HA 0.360 4.530 4.170 0.000 0.000 0.284 626 I C -0.487 175.572 176.117 -0.096 0.000 1.038 626 I CA -0.579 60.648 61.300 -0.122 0.000 1.083 626 I CB 1.953 39.811 38.000 -0.236 0.000 1.223 626 I HN 0.330 nan 8.210 nan 0.000 0.443 627 R N 6.877 127.289 120.500 -0.147 0.000 2.265 627 R HA 0.603 4.943 4.340 0.000 0.000 0.319 627 R C -1.092 175.061 176.300 -0.246 0.000 1.006 627 R CA -0.453 55.529 56.100 -0.197 0.000 0.880 627 R CB 0.910 31.077 30.300 -0.222 0.000 1.077 627 R HN 0.476 nan 8.270 nan 0.000 0.454 628 I N 6.543 126.955 120.570 -0.264 0.000 2.474 628 I HA 0.366 4.536 4.170 0.000 0.000 0.294 628 I C -0.136 175.851 176.117 -0.217 0.000 1.005 628 I CA -0.863 60.283 61.300 -0.258 0.000 1.113 628 I CB 1.827 39.675 38.000 -0.254 0.000 1.289 628 I HN 0.674 nan 8.210 nan 0.000 0.436 629 I N 4.894 125.378 120.570 -0.143 0.000 2.439 629 I HA 0.242 4.413 4.170 0.000 0.000 0.283 629 I C -0.388 175.750 176.117 0.036 0.000 1.023 629 I CA -0.184 61.054 61.300 -0.103 0.000 1.100 629 I CB 1.945 39.886 38.000 -0.097 0.000 1.238 629 I HN 0.449 nan 8.210 nan 0.000 0.445 630 T N 6.910 121.525 114.554 0.102 0.000 2.779 630 T HA 0.560 4.910 4.350 0.000 0.000 0.280 630 T C -0.639 174.244 174.700 0.305 0.000 0.987 630 T CA -0.392 61.870 62.100 0.270 0.000 0.966 630 T CB 1.594 70.679 68.868 0.361 0.000 0.933 630 T HN 0.249 nan 8.240 nan 0.000 0.442 631 L N 3.331 124.716 121.223 0.271 0.000 2.346 631 L HA 0.877 5.217 4.340 0.000 0.000 0.276 631 L C -0.761 176.126 176.870 0.027 0.000 1.006 631 L CA -0.633 54.309 54.840 0.170 0.000 0.817 631 L CB 1.211 43.349 42.059 0.132 0.000 1.272 631 L HN 0.716 nan 8.230 nan 0.000 0.421 632 A N 6.136 128.846 122.820 -0.184 0.000 2.331 632 A HA 0.866 5.186 4.320 0.000 0.000 0.320 632 A C -0.880 176.520 177.584 -0.306 0.000 1.138 632 A CA -0.543 51.178 52.037 -0.526 0.000 0.790 632 A CB 0.879 19.108 19.000 -1.284 0.000 1.206 632 A HN 0.770 nan 8.150 nan 0.000 0.470 633 M N 3.184 122.586 119.600 -0.330 0.000 2.395 633 M HA 0.411 4.891 4.480 0.000 0.000 0.307 633 M C -2.710 173.497 176.300 -0.156 0.000 1.091 633 M CA -1.743 53.457 55.300 -0.167 0.000 0.919 633 M CB 2.786 35.319 32.600 -0.111 0.000 1.662 633 M HN 0.333 nan 8.290 nan 0.000 0.440 634 P HA 0.228 nan 4.420 nan 0.000 0.278 634 P C -0.732 176.410 177.300 -0.263 0.000 1.238 634 P CA -0.405 62.562 63.100 -0.221 0.000 0.794 634 P CB 0.642 32.248 31.700 -0.156 0.000 0.955 635 T N -1.221 113.128 114.554 -0.341 0.000 2.927 635 T HA 0.730 5.080 4.350 0.000 0.000 0.281 635 T C -0.260 174.307 174.700 -0.222 0.000 0.998 635 T CA -0.519 61.433 62.100 -0.247 0.000 1.019 635 T CB 1.300 70.038 68.868 -0.217 0.000 1.061 635 T HN 0.461 nan 8.240 nan 0.000 0.518 636 T N -0.803 113.650 114.554 -0.168 0.000 2.802 636 T HA 0.382 4.732 4.350 0.000 0.000 0.311 636 T C -0.821 173.815 174.700 -0.106 0.000 1.405 636 T CA -0.631 61.388 62.100 -0.135 0.000 1.016 636 T CB 1.897 70.694 68.868 -0.119 0.000 1.352 636 T HN 0.747 nan 8.240 nan 0.000 0.498 637 E N 0.750 120.898 120.200 -0.086 0.000 2.583 637 E HA 0.212 4.562 4.350 0.000 0.000 0.213 637 E C -0.274 176.289 176.600 -0.060 0.000 0.989 637 E CA -0.168 56.191 56.400 -0.069 0.000 0.991 637 E CB 0.981 30.644 29.700 -0.061 0.000 1.040 637 E HN 0.380 nan 8.360 nan 0.000 0.481 638 S N 1.316 116.978 115.700 -0.062 0.000 2.422 638 S HA 0.120 4.590 4.470 0.000 0.000 0.298 638 S C 0.836 175.412 174.600 -0.040 0.000 1.118 638 S CA -0.501 57.666 58.200 -0.055 0.000 1.083 638 S CB 0.787 63.953 63.200 -0.056 0.000 0.971 638 S HN 0.207 nan 8.310 nan 0.000 0.478 639 L N 6.551 127.751 121.223 -0.038 0.000 2.131 639 L HA 0.080 4.420 4.340 0.000 0.000 0.210 639 L C 2.352 179.234 176.870 0.019 0.000 1.092 639 L CA 2.422 57.261 54.840 -0.003 0.000 0.759 639 L CB -1.208 40.825 42.059 -0.045 0.000 0.903 639 L HN 0.838 nan 8.230 nan 0.000 0.435 640 A N -0.844 121.949 122.820 -0.046 0.000 1.877 640 A HA -0.231 4.089 4.320 0.000 0.000 0.216 640 A C 2.214 179.819 177.584 0.035 0.000 1.186 640 A CA 1.791 53.803 52.037 -0.041 0.000 0.620 640 A CB -0.610 18.343 19.000 -0.079 0.000 0.822 640 A HN 0.566 nan 8.150 nan 0.000 0.443 641 E N -0.455 119.747 120.200 0.003 0.000 2.153 641 E HA -0.104 4.246 4.350 0.000 0.000 0.194 641 E C 1.950 178.554 176.600 0.007 0.000 0.988 641 E CA 1.122 57.521 56.400 -0.001 0.000 0.811 641 E CB -0.186 29.492 29.700 -0.036 0.000 0.746 641 E HN 0.424 nan 8.360 nan 0.000 0.466 642 V N 0.305 120.228 119.914 0.015 0.000 2.307 642 V HA -0.261 3.859 4.120 0.000 0.000 0.245 642 V C 1.802 177.887 176.094 -0.015 0.000 1.045 642 V CA 1.686 63.968 62.300 -0.031 0.000 1.024 642 V CB -0.576 31.226 31.823 -0.035 0.000 0.651 642 V HN 0.272 nan 8.190 nan 0.000 0.449 643 Y N 0.734 121.013 120.300 -0.035 0.000 2.200 643 Y HA -0.125 4.425 4.550 0.000 0.000 0.290 643 Y C 2.556 178.472 175.900 0.026 0.000 1.137 643 Y CA 1.306 59.414 58.100 0.013 0.000 1.163 643 Y CB -0.860 37.661 38.460 0.102 0.000 0.988 643 Y HN 0.177 nan 8.280 nan 0.000 0.518 644 A N -1.361 121.570 122.820 0.185 0.000 2.024 644 A HA -0.164 4.156 4.320 0.000 0.000 0.220 644 A C 2.119 179.747 177.584 0.073 0.000 1.164 644 A CA 2.096 54.214 52.037 0.133 0.000 0.643 644 A CB -0.659 18.401 19.000 0.101 0.000 0.806 644 A HN 0.339 nan 8.150 nan 0.000 0.451 645 S N -0.872 114.839 115.700 0.018 0.000 2.554 645 S HA 0.506 4.977 4.470 0.000 0.000 0.226 645 S C 0.698 175.263 174.600 -0.059 0.000 0.980 645 S CA 0.089 58.279 58.200 -0.017 0.000 0.939 645 S CB 0.046 63.224 63.200 -0.036 0.000 0.832 645 S HN 0.732 nan 8.310 nan 0.000 0.486 646 A N 2.169 124.935 122.820 -0.090 0.000 2.511 646 A HA 0.205 4.525 4.320 0.000 0.000 0.242 646 A C 0.116 177.641 177.584 -0.098 0.000 1.069 646 A CA -0.048 51.896 52.037 -0.154 0.000 0.763 646 A CB 0.083 18.926 19.000 -0.262 0.000 1.001 646 A HN 0.200 nan 8.150 nan 0.000 0.498 647 D N 2.593 122.938 120.400 -0.093 0.000 2.479 647 D HA 0.090 4.730 4.640 0.000 0.000 0.218 647 D C 1.586 177.864 176.300 -0.036 0.000 1.131 647 D CA -0.146 53.828 54.000 -0.043 0.000 0.916 647 D CB 0.613 41.403 40.800 -0.016 0.000 1.022 647 D HN 0.692 nan 8.370 nan 0.000 0.515 648 Q N 3.027 122.816 119.800 -0.018 0.000 2.096 648 Q HA -0.215 4.125 4.340 0.000 0.000 0.208 648 Q C 1.337 177.417 176.000 0.134 0.000 0.993 648 Q CA 1.309 57.141 55.803 0.048 0.000 0.862 648 Q CB -0.219 28.570 28.738 0.085 0.000 0.915 648 Q HN 0.506 nan 8.270 nan 0.000 0.416 649 L N 0.427 121.700 121.223 0.083 0.000 2.072 649 L HA -0.055 4.285 4.340 0.000 0.000 0.205 649 L C 2.786 179.712 176.870 0.093 0.000 1.079 649 L CA 0.834 55.725 54.840 0.086 0.000 0.752 649 L CB -0.703 41.382 42.059 0.042 0.000 0.906 649 L HN 0.365 nan 8.230 nan 0.000 0.436 650 A N 0.460 123.321 122.820 0.068 0.000 1.898 650 A HA -0.137 4.184 4.320 0.000 0.000 0.216 650 A C 2.227 179.871 177.584 0.100 0.000 1.181 650 A CA 1.310 53.391 52.037 0.074 0.000 0.620 650 A CB -0.584 18.448 19.000 0.053 0.000 0.819 650 A HN 0.327 nan 8.150 nan 0.000 0.442 651 I N -0.251 120.361 120.570 0.069 0.000 2.286 651 I HA -0.273 3.897 4.170 0.000 0.000 0.248 651 I C 2.956 179.276 176.117 0.338 0.000 1.115 651 I CA 0.949 62.288 61.300 0.066 0.000 1.392 651 I CB -0.329 37.605 38.000 -0.110 0.000 1.065 651 I HN 0.370 nan 8.210 nan 0.000 0.418 652 A N -0.170 122.890 122.820 0.400 0.000 1.902 652 A HA -0.256 4.064 4.320 0.000 0.000 0.217 652 A C 2.498 180.229 177.584 0.245 0.000 1.181 652 A CA 2.272 54.554 52.037 0.408 0.000 0.623 652 A CB -0.830 18.313 19.000 0.238 0.000 0.818 652 A HN 0.394 nan 8.150 nan 0.000 0.443 653 S N -1.602 114.198 115.700 0.166 0.000 2.368 653 S HA -0.174 4.296 4.470 0.000 0.000 0.225 653 S C 1.742 176.379 174.600 0.061 0.000 1.030 653 S CA 1.598 59.855 58.200 0.094 0.000 0.999 653 S CB -0.552 62.697 63.200 0.081 0.000 0.844 653 S HN 0.567 nan 8.310 nan 0.000 0.459 654 F N 1.065 120.961 119.950 -0.091 0.000 2.043 654 F HA -0.166 4.361 4.527 0.000 0.000 0.297 654 F C 1.880 177.502 175.800 -0.296 0.000 1.121 654 F CA 2.015 59.865 58.000 -0.250 0.000 1.199 654 F CB -0.689 38.084 39.000 -0.378 0.000 0.968 654 F HN 0.314 nan 8.300 nan 0.000 0.478 655 Y N -0.137 120.306 120.300 0.238 0.000 2.421 655 Y HA -0.225 4.325 4.550 0.000 0.000 0.292 655 Y C 2.311 178.150 175.900 -0.101 0.000 1.136 655 Y CA 1.152 59.303 58.100 0.086 0.000 1.255 655 Y CB -0.705 37.878 38.460 0.206 0.000 0.991 655 Y HN 0.279 nan 8.280 nan 0.000 0.552 656 N N -0.285 118.433 118.700 0.031 0.000 2.142 656 N HA -0.172 4.568 4.740 0.000 0.000 0.186 656 N C 1.785 177.254 175.510 -0.068 0.000 1.023 656 N CA 1.837 54.866 53.050 -0.035 0.000 0.852 656 N CB -0.318 38.172 38.487 0.005 0.000 0.998 656 N HN 0.001 nan 8.380 nan 0.000 0.424 657 S N -0.127 115.452 115.700 -0.202 0.000 2.368 657 S HA 0.001 4.472 4.470 0.000 0.000 0.224 657 S C 1.672 176.038 174.600 -0.391 0.000 1.029 657 S CA 0.666 58.665 58.200 -0.336 0.000 0.988 657 S CB -0.168 62.643 63.200 -0.649 0.000 0.838 657 S HN 0.309 nan 8.310 nan 0.000 0.462 658 K N 1.772 121.888 120.400 -0.473 0.000 2.097 658 K HA 0.070 4.390 4.320 0.000 0.000 0.206 658 K C 2.207 178.768 176.600 -0.066 0.000 1.049 658 K CA 1.176 57.293 56.287 -0.283 0.000 0.933 658 K CB -0.712 31.660 32.500 -0.212 0.000 0.717 658 K HN 0.362 nan 8.250 nan 0.000 0.442 659 A N 0.925 123.706 122.820 -0.065 0.000 1.898 659 A HA -0.097 4.223 4.320 0.000 0.000 0.216 659 A C 2.501 180.204 177.584 0.199 0.000 1.181 659 A CA 1.389 53.388 52.037 -0.064 0.000 0.620 659 A CB -0.581 18.142 19.000 -0.462 0.000 0.819 659 A HN 0.053 nan 8.150 nan 0.000 0.442 660 V N 0.265 120.326 119.914 0.246 0.000 2.343 660 V HA -0.277 3.843 4.120 0.000 0.000 0.247 660 V C 2.555 178.747 176.094 0.164 0.000 1.051 660 V CA 2.356 64.816 62.300 0.266 0.000 1.036 660 V CB -0.698 31.221 31.823 0.160 0.000 0.654 660 V HN 0.826 nan 8.190 nan 0.000 0.451 661 E N 0.475 120.754 120.200 0.132 0.000 2.031 661 E HA -0.320 4.030 4.350 0.000 0.000 0.193 661 E C 2.217 178.888 176.600 0.119 0.000 0.994 661 E CA 1.717 58.203 56.400 0.144 0.000 0.800 661 E CB -0.131 29.691 29.700 0.204 0.000 0.752 661 E HN 0.400 nan 8.360 nan 0.000 0.447 662 K N 0.482 120.949 120.400 0.111 0.000 2.152 662 K HA -0.108 4.212 4.320 0.000 0.000 0.206 662 K C 1.656 178.324 176.600 0.113 0.000 1.048 662 K CA 1.431 57.778 56.287 0.100 0.000 0.933 662 K CB -0.387 32.164 32.500 0.084 0.000 0.721 662 K HN 0.272 nan 8.250 nan 0.000 0.447 663 A N 0.230 123.145 122.820 0.159 0.000 1.835 663 A HA 0.016 4.337 4.320 0.000 0.000 0.213 663 A C 1.790 179.426 177.584 0.087 0.000 1.210 663 A CA 1.023 53.151 52.037 0.152 0.000 0.605 663 A CB -0.676 18.464 19.000 0.233 0.000 0.860 663 A HN 0.251 nan 8.150 nan 0.000 0.447 664 L N 0.311 121.579 121.223 0.076 0.000 2.784 664 L HA -0.084 4.257 4.340 0.000 0.000 0.247 664 L C 0.982 177.885 176.870 0.055 0.000 1.162 664 L CA 0.346 55.214 54.840 0.046 0.000 0.881 664 L CB -0.565 41.516 42.059 0.037 0.000 1.032 664 L HN 0.479 nan 8.230 nan 0.000 0.446 665 N N -3.068 115.670 118.700 0.063 0.000 2.182 665 N HA -0.022 4.718 4.740 0.000 0.000 0.262 665 N C 1.293 176.834 175.510 0.051 0.000 1.063 665 N CA 0.629 53.713 53.050 0.056 0.000 0.787 665 N CB 0.457 38.982 38.487 0.064 0.000 1.699 665 N HN 0.085 nan 8.380 nan 0.000 0.616 666 S N -0.006 115.729 115.700 0.058 0.000 2.836 666 S HA 0.358 4.828 4.470 0.000 0.000 0.164 666 S C 0.444 175.074 174.600 0.051 0.000 0.714 666 S CA 0.343 58.574 58.200 0.053 0.000 0.906 666 S CB -0.098 63.137 63.200 0.057 0.000 0.702 666 S HN 0.176 nan 8.310 nan 0.000 0.571 667 S N -0.786 114.950 115.700 0.060 0.000 2.595 667 S HA 0.593 5.063 4.470 0.000 0.000 0.281 667 S C 0.164 174.812 174.600 0.081 0.000 1.117 667 S CA -0.641 57.594 58.200 0.059 0.000 0.873 667 S CB 1.284 64.514 63.200 0.050 0.000 1.108 667 S HN 0.385 nan 8.310 nan 0.000 0.477 668 L N 2.555 123.825 121.223 0.078 0.000 2.072 668 L HA 0.175 4.515 4.340 0.000 0.000 0.205 668 L C 2.037 178.977 176.870 0.118 0.000 1.079 668 L CA 2.315 57.221 54.840 0.111 0.000 0.752 668 L CB -0.773 41.332 42.059 0.077 0.000 0.906 668 L HN 0.972 nan 8.230 nan 0.000 0.436 669 D N -1.011 119.436 120.400 0.079 0.000 2.117 669 D HA -0.232 4.408 4.640 0.000 0.000 0.197 669 D C 1.598 177.935 176.300 0.061 0.000 0.987 669 D CA 1.393 55.433 54.000 0.066 0.000 0.829 669 D CB 0.064 40.893 40.800 0.048 0.000 0.961 669 D HN 0.291 nan 8.370 nan 0.000 0.460 670 D N -0.395 120.041 120.400 0.061 0.000 2.149 670 D HA -0.126 4.515 4.640 0.000 0.000 0.198 670 D C 1.964 178.294 176.300 0.050 0.000 0.990 670 D CA 1.463 55.495 54.000 0.053 0.000 0.839 670 D CB -0.421 40.413 40.800 0.056 0.000 0.948 670 D HN 0.360 nan 8.370 nan 0.000 0.460 671 A N 0.340 123.204 122.820 0.073 0.000 1.898 671 A HA -0.150 4.170 4.320 0.000 0.000 0.216 671 A C 2.148 179.702 177.584 -0.050 0.000 1.181 671 A CA 1.156 53.218 52.037 0.041 0.000 0.620 671 A CB -0.331 18.787 19.000 0.197 0.000 0.819 671 A HN 0.083 nan 8.150 nan 0.000 0.442 672 R N -0.733 119.774 120.500 0.011 0.000 2.073 672 R HA -0.089 4.251 4.340 0.000 0.000 0.234 672 R C 2.068 178.359 176.300 -0.015 0.000 1.134 672 R CA 1.486 57.577 56.100 -0.016 0.000 0.952 672 R CB -0.556 29.768 30.300 0.040 0.000 0.850 672 R HN 0.377 nan 8.270 nan 0.000 0.433 673 V N 1.630 121.551 119.914 0.012 0.000 2.332 673 V HA -0.265 3.855 4.120 0.000 0.000 0.248 673 V C 2.286 178.383 176.094 0.003 0.000 1.055 673 V CA 1.749 64.060 62.300 0.019 0.000 1.038 673 V CB -0.412 31.429 31.823 0.029 0.000 0.651 673 V HN 0.342 nan 8.190 nan 0.000 0.450 674 L N -0.589 120.630 121.223 -0.007 0.000 2.017 674 L HA -0.186 4.154 4.340 0.000 0.000 0.208 674 L C 2.308 179.137 176.870 -0.067 0.000 1.073 674 L CA 1.796 56.630 54.840 -0.010 0.000 0.745 674 L CB -0.222 41.845 42.059 0.013 0.000 0.894 674 L HN 0.227 nan 8.230 nan 0.000 0.432 675 I N 0.222 120.723 120.570 -0.116 0.000 2.091 675 I HA -0.375 3.795 4.170 0.000 0.000 0.239 675 I C 2.232 178.278 176.117 -0.119 0.000 1.061 675 I CA 1.646 62.843 61.300 -0.172 0.000 1.317 675 I CB -0.708 37.143 38.000 -0.248 0.000 1.031 675 I HN 0.405 nan 8.210 nan 0.000 0.401 676 N N 0.908 119.591 118.700 -0.028 0.000 2.104 676 N HA -0.227 4.513 4.740 0.000 0.000 0.190 676 N C 1.827 177.365 175.510 0.047 0.000 1.024 676 N CA 1.288 54.388 53.050 0.084 0.000 0.853 676 N CB -0.334 38.234 38.487 0.136 0.000 1.008 676 N HN 0.401 nan 8.380 nan 0.000 0.424 677 K N 1.308 121.709 120.400 0.001 0.000 2.097 677 K HA -0.108 4.213 4.320 0.000 0.000 0.206 677 K C 2.181 178.759 176.600 -0.036 0.000 1.049 677 K CA 1.435 57.720 56.287 -0.003 0.000 0.933 677 K CB -0.008 32.494 32.500 0.004 0.000 0.717 677 K HN 0.210 nan 8.250 nan 0.000 0.442 678 S N -0.001 115.604 115.700 -0.158 0.000 2.374 678 S HA -0.150 4.321 4.470 0.000 0.000 0.227 678 S C 1.981 176.616 174.600 0.057 0.000 1.037 678 S CA 1.625 59.633 58.200 -0.320 0.000 1.024 678 S CB -0.696 61.928 63.200 -0.961 0.000 0.861 678 S HN 0.128 nan 8.310 nan 0.000 0.456 679 V N 1.968 121.949 119.914 0.111 0.000 2.323 679 V HA -0.137 3.983 4.120 0.000 0.000 0.244 679 V C 2.951 179.140 176.094 0.158 0.000 1.041 679 V CA 1.976 64.420 62.300 0.240 0.000 1.025 679 V CB -1.005 30.960 31.823 0.236 0.000 0.656 679 V HN 0.564 nan 8.190 nan 0.000 0.451 680 Q N -0.136 119.712 119.800 0.081 0.000 2.061 680 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 680 Q C 2.023 178.060 176.000 0.060 0.000 0.984 680 Q CA 2.158 57.985 55.803 0.039 0.000 0.846 680 Q CB -0.131 28.615 28.738 0.013 0.000 0.902 680 Q HN 0.616 nan 8.270 nan 0.000 0.421 681 D N 0.274 120.714 120.400 0.067 0.000 2.117 681 D HA -0.151 4.489 4.640 0.000 0.000 0.197 681 D C 1.917 178.289 176.300 0.120 0.000 0.987 681 D CA 1.088 55.135 54.000 0.078 0.000 0.829 681 D CB -0.194 40.648 40.800 0.071 0.000 0.961 681 D HN 0.357 nan 8.370 nan 0.000 0.460 682 I N 0.483 121.143 120.570 0.150 0.000 2.252 682 I HA -0.215 3.955 4.170 0.000 0.000 0.245 682 I C 2.414 178.675 176.117 0.240 0.000 1.102 682 I CA 0.602 62.032 61.300 0.216 0.000 1.385 682 I CB -0.084 38.015 38.000 0.164 0.000 1.064 682 I HN -0.024 nan 8.210 nan 0.000 0.414 683 L N 0.353 121.680 121.223 0.173 0.000 2.093 683 L HA -0.174 4.166 4.340 0.000 0.000 0.208 683 L C 2.801 179.736 176.870 0.110 0.000 1.085 683 L CA 1.266 56.184 54.840 0.130 0.000 0.755 683 L CB -0.612 41.487 42.059 0.067 0.000 0.904 683 L HN 0.231 nan 8.230 nan 0.000 0.435 684 A N -0.750 122.118 122.820 0.081 0.000 1.930 684 A HA -0.155 4.165 4.320 0.000 0.000 0.217 684 A C 2.340 179.953 177.584 0.049 0.000 1.175 684 A CA 2.083 54.150 52.037 0.050 0.000 0.627 684 A CB -0.710 18.311 19.000 0.035 0.000 0.815 684 A HN 0.344 nan 8.150 nan 0.000 0.443 685 T N -1.758 112.845 114.554 0.080 0.000 2.770 685 T HA -0.123 4.227 4.350 0.000 0.000 0.263 685 T C 1.793 176.460 174.700 -0.055 0.000 1.039 685 T CA 1.539 63.667 62.100 0.047 0.000 1.142 685 T CB -0.423 68.529 68.868 0.140 0.000 0.868 685 T HN 0.539 nan 8.240 nan 0.000 0.435 686 Y N 2.059 122.265 120.300 -0.156 0.000 2.207 686 Y HA -0.148 4.402 4.550 0.000 0.000 0.287 686 Y C 2.505 178.289 175.900 -0.193 0.000 1.156 686 Y CA 1.624 59.529 58.100 -0.326 0.000 1.182 686 Y CB -0.072 38.269 38.460 -0.198 0.000 0.979 686 Y HN 0.023 nan 8.280 nan 0.000 0.521 687 K N 0.484 120.918 120.400 0.056 0.000 2.002 687 K HA -0.242 4.078 4.320 0.000 0.000 0.209 687 K C 2.329 178.882 176.600 -0.077 0.000 1.048 687 K CA 1.846 58.141 56.287 0.014 0.000 0.930 687 K CB -0.242 32.282 32.500 0.040 0.000 0.714 687 K HN 0.271 nan 8.250 nan 0.000 0.438 688 K N 0.116 120.471 120.400 -0.076 0.000 2.116 688 K HA -0.081 4.239 4.320 0.000 0.000 0.203 688 K C 1.495 178.020 176.600 -0.126 0.000 1.052 688 K CA 1.041 57.279 56.287 -0.082 0.000 0.952 688 K CB 0.225 32.694 32.500 -0.052 0.000 0.729 688 K HN 0.069 nan 8.250 nan 0.000 0.446 689 E N 0.413 120.506 120.200 -0.179 0.000 2.435 689 E HA 0.078 4.428 4.350 0.000 0.000 0.195 689 E C 0.432 176.859 176.600 -0.290 0.000 1.029 689 E CA 0.468 56.739 56.400 -0.214 0.000 0.865 689 E CB 0.300 29.868 29.700 -0.220 0.000 0.833 689 E HN 0.372 nan 8.360 nan 0.000 0.510 690 I N 0.598 120.939 120.570 -0.380 0.000 2.689 690 I HA 0.181 4.352 4.170 0.000 0.000 0.299 690 I C 0.408 176.361 176.117 -0.273 0.000 1.059 690 I CA -1.270 59.781 61.300 -0.416 0.000 1.055 690 I CB 2.193 39.725 38.000 -0.781 0.000 1.243 690 I HN -0.260 nan 8.210 nan 0.000 0.425 697 G N -1.399 107.398 108.800 -0.004 0.000 3.107 697 G HA2 0.568 4.529 3.960 0.000 0.000 0.233 697 G HA3 0.568 4.529 3.960 0.000 0.000 0.233 697 G C 0.605 175.502 174.900 -0.006 0.000 1.168 697 G CA 0.502 45.600 45.100 -0.003 0.000 0.801 697 G HN 1.037 nan 8.290 nan 0.000 0.605 698 G N -0.849 107.947 108.800 -0.006 0.000 2.531 698 G HA2 0.505 4.466 3.960 0.000 0.000 0.210 698 G HA3 0.505 4.466 3.960 0.000 0.000 0.210 698 G C 0.262 175.155 174.900 -0.012 0.000 1.547 698 G CA 1.130 46.224 45.100 -0.009 0.000 0.740 698 G HN 1.691 nan 8.290 nan 0.000 0.611 699 A N 0.938 123.750 122.820 -0.014 0.000 3.300 699 A HA 0.732 5.052 4.320 0.000 0.000 0.300 699 A C -2.888 174.684 177.584 -0.020 0.000 1.099 699 A CA -0.730 51.296 52.037 -0.018 0.000 0.846 699 A CB 0.910 19.896 19.000 -0.023 0.000 1.255 699 A HN 0.258 nan 8.150 nan 0.000 0.519 700 P HA 0.529 nan 4.420 nan 0.000 0.280 700 P C -0.710 176.579 177.300 -0.017 0.000 1.272 700 P CA -0.614 62.478 63.100 -0.013 0.000 0.819 700 P CB 0.948 32.648 31.700 -0.000 0.000 1.122 701 L N 1.413 122.621 121.223 -0.026 0.000 2.313 701 L HA 0.373 4.713 4.340 0.000 0.000 0.273 701 L C -0.035 176.822 176.870 -0.023 0.000 1.028 701 L CA -0.453 54.368 54.840 -0.032 0.000 0.871 701 L CB -0.159 41.863 42.059 -0.061 0.000 1.242 701 L HN 0.226 nan 8.230 nan 0.000 0.434 702 R N 3.595 124.101 120.500 0.010 0.000 2.594 702 R HA 0.641 4.982 4.340 0.000 0.000 0.272 702 R C -1.003 175.181 176.300 -0.193 0.000 1.074 702 R CA -0.290 55.819 56.100 0.016 0.000 1.105 702 R CB 0.783 31.198 30.300 0.191 0.000 1.008 702 R HN 0.556 nan 8.270 nan 0.000 0.472 703 L N 0.853 121.780 121.223 -0.493 0.000 3.075 703 L HA 0.245 4.585 4.340 0.000 0.000 0.274 703 L C -1.527 174.931 176.870 -0.686 0.000 1.006 703 L CA -0.701 53.538 54.840 -1.002 0.000 0.972 703 L CB 1.214 43.041 42.059 -0.388 0.000 1.515 703 L HN 0.952 nan 8.230 nan 0.000 0.402 704 C N 0.104 119.097 119.300 -0.511 0.000 2.365 704 C HA 0.853 5.313 4.460 0.000 0.000 0.349 704 C C 1.877 176.869 174.990 0.003 0.000 1.191 704 C CA -0.192 58.784 59.018 -0.069 0.000 2.114 704 C CB 0.357 28.185 27.740 0.147 0.000 2.367 704 C HN 1.094 nan 8.230 nan 0.000 0.530 705 A N 2.422 125.287 122.820 0.075 0.000 1.903 705 A HA -0.253 4.067 4.320 0.000 0.000 0.219 705 A C 2.104 179.704 177.584 0.026 0.000 1.191 705 A CA 2.465 54.529 52.037 0.044 0.000 0.638 705 A CB -0.923 18.098 19.000 0.035 0.000 0.823 705 A HN 1.035 nan 8.150 nan 0.000 0.451 706 N N 0.046 118.774 118.700 0.047 0.000 2.585 706 N HA -0.066 4.674 4.740 0.000 0.000 0.188 706 N C 1.085 176.608 175.510 0.022 0.000 1.102 706 N CA 1.248 54.315 53.050 0.028 0.000 0.920 706 N CB -0.290 38.221 38.487 0.040 0.000 0.963 706 N HN 0.550 nan 8.380 nan 0.000 0.447 707 L N -0.144 121.096 121.223 0.028 0.000 2.766 707 L HA 0.258 4.598 4.340 0.000 0.000 0.242 707 L C 2.284 179.206 176.870 0.087 0.000 1.136 707 L CA -0.265 54.600 54.840 0.042 0.000 0.933 707 L CB 0.062 42.130 42.059 0.015 0.000 1.241 707 L HN 0.041 nan 8.230 nan 0.000 0.522 708 R N 0.817 121.345 120.500 0.047 0.000 2.261 708 R HA -0.176 4.164 4.340 0.000 0.000 0.236 708 R C 1.515 177.848 176.300 0.055 0.000 1.141 708 R CA 1.350 57.477 56.100 0.045 0.000 1.001 708 R CB 0.129 30.439 30.300 0.018 0.000 0.866 708 R HN 0.285 nan 8.270 nan 0.000 0.468 709 M N -0.995 118.635 119.600 0.050 0.000 2.382 709 M HA 0.041 4.522 4.480 0.000 0.000 0.247 709 M C 1.272 177.597 176.300 0.042 0.000 1.104 709 M CA 0.103 55.395 55.300 -0.012 0.000 1.030 709 M CB -0.415 32.146 32.600 -0.065 0.000 1.424 709 M HN 0.042 nan 8.290 nan 0.000 0.486 710 F N 2.898 122.844 119.950 -0.007 0.000 2.069 710 F HA -0.092 4.436 4.527 0.000 0.000 0.298 710 F C -0.777 175.059 175.800 0.059 0.000 1.113 710 F CA 1.873 59.888 58.000 0.025 0.000 1.214 710 F CB -1.579 37.448 39.000 0.045 0.000 0.978 710 F HN 0.100 nan 8.300 nan 0.000 0.474 711 P HA -0.202 nan 4.420 nan 0.000 0.216 711 P C 1.957 179.289 177.300 0.052 0.000 1.153 711 P CA 1.454 64.664 63.100 0.184 0.000 0.858 711 P CB -0.156 31.788 31.700 0.408 0.000 0.789 712 L N -0.988 120.179 121.223 -0.092 0.000 2.017 712 L HA -0.149 4.192 4.340 0.000 0.000 0.208 712 L C 2.223 178.903 176.870 -0.316 0.000 1.073 712 L CA 1.801 56.366 54.840 -0.459 0.000 0.745 712 L CB -1.405 40.240 42.059 -0.690 0.000 0.894 712 L HN -0.129 nan 8.230 nan 0.000 0.432 713 L N -1.557 119.503 121.223 -0.272 0.000 1.989 713 L HA -0.261 4.079 4.340 0.000 0.000 0.211 713 L C 2.582 179.301 176.870 -0.251 0.000 1.071 713 L CA 1.333 56.047 54.840 -0.210 0.000 0.749 713 L CB -0.635 41.333 42.059 -0.151 0.000 0.890 713 L HN 0.311 nan 8.230 nan 0.000 0.431 714 M N -0.884 118.476 119.600 -0.399 0.000 2.086 714 M HA -0.239 4.241 4.480 0.000 0.000 0.261 714 M C 2.384 178.470 176.300 -0.357 0.000 1.067 714 M CA 1.843 56.905 55.300 -0.396 0.000 1.116 714 M CB -1.521 30.760 32.600 -0.532 0.000 1.348 714 M HN 0.291 nan 8.290 nan 0.000 0.407 715 H N 0.411 119.132 119.070 -0.582 0.000 2.319 715 H HA -0.086 4.470 4.556 0.000 0.000 0.299 715 H C 2.003 177.102 175.328 -0.381 0.000 1.092 715 H CA 2.541 58.124 56.048 -0.775 0.000 1.302 715 H CB -0.085 28.894 29.762 -1.306 0.000 1.373 715 H HN 0.282 nan 8.280 nan 0.000 0.497 716 S N 0.017 115.509 115.700 -0.346 0.000 2.383 716 S HA -0.129 4.341 4.470 0.000 0.000 0.229 716 S C 2.103 176.616 174.600 -0.145 0.000 1.030 716 S CA 1.083 59.150 58.200 -0.222 0.000 1.002 716 S CB -0.441 62.745 63.200 -0.023 0.000 0.829 716 S HN 0.382 nan 8.310 nan 0.000 0.467 717 L N 2.324 123.467 121.223 -0.133 0.000 2.083 717 L HA -0.095 4.246 4.340 0.000 0.000 0.209 717 L C 2.502 179.378 176.870 0.010 0.000 1.083 717 L CA 2.151 56.972 54.840 -0.031 0.000 0.752 717 L CB -1.390 40.592 42.059 -0.128 0.000 0.899 717 L HN 0.487 nan 8.230 nan 0.000 0.433 718 T N -4.208 110.259 114.554 -0.145 0.000 3.051 718 T HA -0.151 4.199 4.350 0.000 0.000 0.269 718 T C 1.691 176.376 174.700 -0.024 0.000 1.127 718 T CA 1.233 63.283 62.100 -0.083 0.000 1.107 718 T CB -0.354 68.421 68.868 -0.155 0.000 0.898 718 T HN 0.398 nan 8.240 nan 0.000 0.517 719 K N -0.289 120.065 120.400 -0.076 0.000 2.361 719 K HA 0.120 4.440 4.320 0.000 0.000 0.194 719 K C 0.896 177.520 176.600 0.039 0.000 1.032 719 K CA -0.325 55.929 56.287 -0.056 0.000 1.048 719 K CB 0.063 32.472 32.500 -0.153 0.000 0.842 719 K HN 0.485 nan 8.250 nan 0.000 0.526 720 H N 1.381 120.474 119.070 0.039 0.000 2.852 720 H HA -0.055 4.501 4.556 0.000 0.000 0.362 720 H C 1.100 176.458 175.328 0.049 0.000 1.122 720 H CA 0.687 56.777 56.048 0.070 0.000 1.419 720 H CB 0.907 30.753 29.762 0.139 0.000 1.401 720 H HN 0.009 nan 8.280 nan 0.000 0.609 721 M N 3.805 123.332 119.600 -0.121 0.000 2.260 721 M HA -0.190 4.290 4.480 0.000 0.000 0.261 721 M C 1.847 178.198 176.300 0.085 0.000 1.066 721 M CA 1.974 57.280 55.300 0.009 0.000 1.082 721 M CB -0.107 32.476 32.600 -0.029 0.000 1.388 721 M HN 0.685 nan 8.290 nan 0.000 0.419 722 A N -0.470 122.486 122.820 0.227 0.000 1.929 722 A HA -0.069 4.251 4.320 0.000 0.000 0.216 722 A C 1.301 178.491 177.584 -0.657 0.000 1.176 722 A CA 1.283 53.111 52.037 -0.350 0.000 0.628 722 A CB -0.599 17.953 19.000 -0.746 0.000 0.816 722 A HN 0.651 nan 8.150 nan 0.000 0.444 723 F N -0.834 119.172 119.950 0.093 0.000 2.706 723 F HA 0.298 4.825 4.527 0.000 0.000 0.313 723 F C 0.783 176.597 175.800 0.024 0.000 1.096 723 F CA -0.702 57.321 58.000 0.038 0.000 1.219 723 F CB 0.217 39.225 39.000 0.013 0.000 1.051 723 F HN -0.106 nan 8.300 nan 0.000 0.568 724 R N 1.819 122.401 120.500 0.137 0.000 2.538 724 R HA 0.045 4.385 4.340 0.000 0.000 0.273 724 R C 0.735 177.068 176.300 0.055 0.000 0.967 724 R CA 0.399 56.542 56.100 0.073 0.000 1.101 724 R CB 0.182 30.499 30.300 0.027 0.000 0.908 724 R HN 0.232 nan 8.270 nan 0.000 0.411 725 S N 1.191 116.916 115.700 0.042 0.000 2.617 725 S HA 0.679 5.149 4.470 0.000 0.000 0.269 725 S C 0.725 175.333 174.600 0.013 0.000 1.292 725 S CA -0.147 58.072 58.200 0.033 0.000 1.010 725 S CB 1.780 64.999 63.200 0.031 0.000 0.944 725 S HN 0.986 nan 8.310 nan 0.000 0.536 726 G N 0.715 109.519 108.800 0.007 0.000 2.472 726 G HA2 -0.065 3.895 3.960 0.000 0.000 0.205 726 G HA3 -0.065 3.895 3.960 0.000 0.000 0.205 726 G C -0.971 173.919 174.900 -0.016 0.000 1.270 726 G CA -0.462 44.634 45.100 -0.007 0.000 0.974 726 G HN 0.963 nan 8.290 nan 0.000 0.542 727 I N 0.602 121.154 120.570 -0.030 0.000 2.354 727 I HA 0.565 4.735 4.170 0.000 0.000 0.292 727 I C -0.125 175.956 176.117 -0.060 0.000 0.989 727 I CA -0.911 60.364 61.300 -0.042 0.000 1.188 727 I CB 1.635 39.607 38.000 -0.048 0.000 1.342 727 I HN 0.391 nan 8.210 nan 0.000 0.457 728 V N 7.249 127.130 119.914 -0.055 0.000 2.668 728 V HA 0.314 4.434 4.120 0.000 0.000 0.304 728 V C -2.292 173.772 176.094 -0.050 0.000 1.071 728 V CA -1.616 60.644 62.300 -0.068 0.000 0.894 728 V CB 1.959 33.761 31.823 -0.035 0.000 1.008 728 V HN 0.595 nan 8.190 nan 0.000 0.425 729 P HA 0.024 nan 4.420 nan 0.000 0.263 729 P C 1.128 178.476 177.300 0.080 0.000 1.175 729 P CA 0.524 63.616 63.100 -0.013 0.000 0.761 729 P CB 0.676 32.330 31.700 -0.078 0.000 0.794 730 S N 2.029 117.776 115.700 0.078 0.000 2.372 730 S HA -0.239 4.231 4.470 0.000 0.000 0.227 730 S C 1.434 176.062 174.600 0.047 0.000 1.044 730 S CA 2.011 60.257 58.200 0.076 0.000 1.050 730 S CB -0.565 62.707 63.200 0.120 0.000 0.901 730 S HN 0.458 nan 8.310 nan 0.000 0.447 731 D N 0.086 120.528 120.400 0.069 0.000 2.117 731 D HA -0.054 4.587 4.640 0.000 0.000 0.198 731 D C 1.835 178.001 176.300 -0.223 0.000 0.982 731 D CA 1.105 54.947 54.000 -0.264 0.000 0.828 731 D CB -0.636 39.897 40.800 -0.445 0.000 0.967 731 D HN 0.640 nan 8.370 nan 0.000 0.464 732 H N -0.062 119.016 119.070 0.014 0.000 2.456 732 H HA -0.027 4.529 4.556 0.000 0.000 0.296 732 H C 2.191 177.526 175.328 0.011 0.000 1.079 732 H CA 0.872 56.984 56.048 0.107 0.000 1.322 732 H CB 0.495 30.316 29.762 0.098 0.000 1.388 732 H HN 0.049 nan 8.280 nan 0.000 0.538 733 R N 0.798 121.345 120.500 0.078 0.000 2.066 733 R HA 0.007 4.348 4.340 0.000 0.000 0.224 733 R C 2.581 178.836 176.300 -0.075 0.000 1.122 733 R CA 1.048 57.143 56.100 -0.009 0.000 0.974 733 R CB -0.138 30.148 30.300 -0.025 0.000 0.871 733 R HN 0.181 nan 8.270 nan 0.000 0.435 734 A N -0.070 122.688 122.820 -0.103 0.000 1.908 734 A HA -0.212 4.108 4.320 0.000 0.000 0.218 734 A C 2.183 179.676 177.584 -0.151 0.000 1.181 734 A CA 2.079 54.031 52.037 -0.142 0.000 0.627 734 A CB -1.032 17.859 19.000 -0.182 0.000 0.818 734 A HN 0.469 nan 8.150 nan 0.000 0.445 735 S N -0.475 115.125 115.700 -0.166 0.000 2.356 735 S HA -0.075 4.395 4.470 0.000 0.000 0.223 735 S C 2.219 176.799 174.600 -0.033 0.000 1.032 735 S CA 1.748 59.883 58.200 -0.108 0.000 1.005 735 S CB -0.553 62.628 63.200 -0.031 0.000 0.867 735 S HN 0.880 nan 8.310 nan 0.000 0.449 736 A N 1.307 124.132 122.820 0.008 0.000 1.908 736 A HA 0.011 4.331 4.320 0.000 0.000 0.218 736 A C 2.258 179.809 177.584 -0.055 0.000 1.181 736 A CA 1.590 53.665 52.037 0.063 0.000 0.627 736 A CB -0.863 18.218 19.000 0.135 0.000 0.818 736 A HN 0.583 nan 8.150 nan 0.000 0.445 737 L N -0.535 120.608 121.223 -0.135 0.000 2.056 737 L HA -0.199 4.141 4.340 0.000 0.000 0.207 737 L C 2.521 179.334 176.870 -0.095 0.000 1.078 737 L CA 1.636 56.368 54.840 -0.180 0.000 0.749 737 L CB -0.564 41.379 42.059 -0.193 0.000 0.901 737 L HN 0.573 nan 8.230 nan 0.000 0.433 738 N N 0.243 118.895 118.700 -0.080 0.000 2.166 738 N HA -0.235 4.505 4.740 0.000 0.000 0.186 738 N C 1.637 177.126 175.510 -0.035 0.000 1.019 738 N CA 1.515 54.540 53.050 -0.041 0.000 0.856 738 N CB -0.080 38.361 38.487 -0.076 0.000 0.993 738 N HN 0.163 nan 8.380 nan 0.000 0.426 739 N N 0.010 118.679 118.700 -0.051 0.000 2.109 739 N HA 0.024 4.764 4.740 0.000 0.000 0.188 739 N C 1.600 177.078 175.510 -0.053 0.000 1.034 739 N CA 0.971 53.993 53.050 -0.048 0.000 0.846 739 N CB -0.286 38.204 38.487 0.004 0.000 1.010 739 N HN 0.256 nan 8.380 nan 0.000 0.425 740 L N 0.764 121.951 121.223 -0.061 0.000 2.127 740 L HA -0.181 4.159 4.340 0.000 0.000 0.211 740 L C 2.172 179.018 176.870 -0.039 0.000 1.089 740 L CA 1.621 56.421 54.840 -0.066 0.000 0.757 740 L CB -0.663 41.330 42.059 -0.111 0.000 0.899 740 L HN 0.507 nan 8.230 nan 0.000 0.434 741 E N -0.085 120.094 120.200 -0.034 0.000 2.358 741 E HA -0.139 4.211 4.350 0.000 0.000 0.195 741 E C 1.653 178.208 176.600 -0.076 0.000 1.010 741 E CA 1.226 57.617 56.400 -0.016 0.000 0.856 741 E CB 0.077 29.798 29.700 0.036 0.000 0.795 741 E HN 0.470 nan 8.360 nan 0.000 0.504 742 S N -0.384 115.214 115.700 -0.170 0.000 2.666 742 S HA 0.209 4.679 4.470 0.000 0.000 0.239 742 S C 0.319 174.785 174.600 -0.223 0.000 1.031 742 S CA -0.671 57.347 58.200 -0.305 0.000 1.015 742 S CB 0.147 62.963 63.200 -0.640 0.000 0.981 742 S HN 0.068 nan 8.310 nan 0.000 0.547 743 L N 3.373 124.521 121.223 -0.124 0.000 2.456 743 L HA 0.472 4.812 4.340 0.000 0.000 0.272 743 L C -2.517 174.332 176.870 -0.035 0.000 1.189 743 L CA -1.662 53.140 54.840 -0.063 0.000 0.846 743 L CB -0.110 41.951 42.059 0.004 0.000 1.111 743 L HN 0.021 nan 8.230 nan 0.000 0.475 744 P HA 0.029 nan 4.420 nan 0.000 0.271 744 P C 0.581 177.931 177.300 0.084 0.000 1.216 744 P CA -0.417 62.710 63.100 0.046 0.000 0.776 744 P CB 0.600 32.377 31.700 0.130 0.000 0.881 745 L N 4.739 125.981 121.223 0.032 0.000 1.997 745 L HA -0.292 4.049 4.340 0.000 0.000 0.227 745 L C 2.268 179.143 176.870 0.008 0.000 1.087 745 L CA 2.162 57.016 54.840 0.023 0.000 0.797 745 L CB -1.010 41.055 42.059 0.011 0.000 0.902 745 L HN 0.403 nan 8.230 nan 0.000 0.441 746 K N -1.910 118.467 120.400 -0.038 0.000 2.107 746 K HA -0.282 4.038 4.320 0.000 0.000 0.211 746 K C 2.037 178.474 176.600 -0.271 0.000 1.049 746 K CA 2.521 58.699 56.287 -0.181 0.000 0.927 746 K CB -0.432 31.889 32.500 -0.298 0.000 0.714 746 K HN 0.522 nan 8.250 nan 0.000 0.452 747 Y N -0.111 120.172 120.300 -0.029 0.000 2.490 747 Y HA -0.036 4.514 4.550 0.000 0.000 0.285 747 Y C 1.852 177.752 175.900 -0.000 0.000 1.117 747 Y CA 0.232 58.315 58.100 -0.028 0.000 1.262 747 Y CB -0.047 38.377 38.460 -0.061 0.000 1.043 747 Y HN 0.100 nan 8.280 nan 0.000 0.553 748 L N 0.111 121.407 121.223 0.121 0.000 2.027 748 L HA -0.166 4.174 4.340 0.000 0.000 0.206 748 L C 1.929 178.841 176.870 0.070 0.000 1.074 748 L CA 1.691 56.578 54.840 0.078 0.000 0.745 748 L CB -0.760 41.326 42.059 0.046 0.000 0.898 748 L HN 0.092 nan 8.230 nan 0.000 0.433 749 I N 0.133 120.731 120.570 0.047 0.000 2.208 749 I HA -0.294 3.876 4.170 0.000 0.000 0.245 749 I C 2.517 178.681 176.117 0.079 0.000 1.097 749 I CA 1.541 62.869 61.300 0.048 0.000 1.363 749 I CB -1.321 36.688 38.000 0.015 0.000 1.051 749 I HN 0.456 nan 8.210 nan 0.000 0.413 750 K N 0.708 121.142 120.400 0.057 0.000 2.288 750 K HA -0.142 4.178 4.320 0.000 0.000 0.201 750 K C 1.905 178.570 176.600 0.109 0.000 1.048 750 K CA 0.768 57.099 56.287 0.074 0.000 0.956 750 K CB 0.014 32.531 32.500 0.028 0.000 0.746 750 K HN 0.221 nan 8.250 nan 0.000 0.461 751 N N 0.652 119.435 118.700 0.138 0.000 2.409 751 N HA -0.038 4.702 4.740 0.000 0.000 0.179 751 N C 1.553 177.214 175.510 0.252 0.000 1.032 751 N CA 0.699 53.865 53.050 0.194 0.000 0.898 751 N CB 0.217 38.832 38.487 0.214 0.000 0.971 751 N HN 0.244 nan 8.380 nan 0.000 0.441 752 I N -1.224 119.465 120.570 0.198 0.000 2.429 752 I HA -0.090 4.080 4.170 0.000 0.000 0.247 752 I C 0.105 176.319 176.117 0.161 0.000 1.099 752 I CA 0.454 61.878 61.300 0.208 0.000 1.422 752 I CB 0.120 38.193 38.000 0.122 0.000 1.112 752 I HN -0.034 nan 8.210 nan 0.000 0.430 753 Y N 3.983 124.286 120.300 0.004 0.000 2.363 753 Y HA 0.400 4.950 4.550 0.001 0.000 0.325 753 Y C -2.546 173.336 175.900 -0.029 0.000 0.984 753 Y CA -2.846 55.230 58.100 -0.040 0.000 1.248 753 Y CB 1.298 39.713 38.460 -0.075 0.000 1.116 753 Y HN -0.162 nan 8.280 nan 0.000 0.470 754 P HA 0.063 nan 4.420 nan 0.000 0.274 754 P C -0.962 176.239 177.300 -0.166 0.000 1.231 754 P CA -0.023 62.980 63.100 -0.162 0.000 0.790 754 P CB 1.369 32.958 31.700 -0.185 0.000 0.951 755 D N 1.045 121.394 120.400 -0.085 0.000 2.277 755 D HA 0.278 4.918 4.640 0.000 0.000 0.249 755 D C -0.273 175.836 176.300 -0.319 0.000 1.134 755 D CA -0.049 53.829 54.000 -0.203 0.000 0.863 755 D CB 1.195 41.912 40.800 -0.139 0.000 1.143 755 D HN 0.034 nan 8.370 nan 0.000 0.458 756 V N 3.581 123.249 119.914 -0.409 0.000 2.495 756 V HA 0.321 4.441 4.120 0.000 0.000 0.298 756 V C -0.841 175.026 176.094 -0.379 0.000 1.031 756 V CA -0.792 61.365 62.300 -0.238 0.000 0.871 756 V CB 1.063 32.860 31.823 -0.044 0.000 0.988 756 V HN 0.363 nan 8.190 nan 0.000 0.432 757 Y N 1.681 122.051 120.300 0.117 0.000 2.364 757 Y HA 0.473 5.023 4.550 0.000 0.000 0.340 757 Y C 0.636 176.583 175.900 0.078 0.000 0.975 757 Y CA -0.504 57.645 58.100 0.082 0.000 1.089 757 Y CB 2.135 40.623 38.460 0.045 0.000 1.192 757 Y HN 0.526 nan 8.280 nan 0.000 0.454 758 S N 4.497 120.291 115.700 0.156 0.000 2.464 758 S HA 0.306 4.776 4.470 0.000 0.000 0.313 758 S C 0.840 175.339 174.600 -0.169 0.000 1.078 758 S CA -0.468 57.669 58.200 -0.105 0.000 1.096 758 S CB -0.289 62.904 63.200 -0.012 0.000 1.032 758 S HN 0.781 nan 8.310 nan 0.000 0.498 759 L N 4.312 125.452 121.223 -0.139 0.000 2.095 759 L HA -0.015 4.325 4.340 0.000 0.000 0.204 759 L C 2.733 179.647 176.870 0.073 0.000 1.080 759 L CA 0.896 55.742 54.840 0.010 0.000 0.759 759 L CB -0.852 41.262 42.059 0.091 0.000 0.914 759 L HN 0.770 nan 8.230 nan 0.000 0.439 760 H N 0.744 119.803 119.070 -0.019 0.000 2.390 760 H HA -0.189 4.367 4.556 0.000 0.000 0.298 760 H C 0.593 175.899 175.328 -0.037 0.000 1.106 760 H CA 1.684 57.707 56.048 -0.041 0.000 1.297 760 H CB -0.598 29.113 29.762 -0.085 0.000 1.375 760 H HN 0.522 nan 8.280 nan 0.000 0.509 761 D N -0.144 119.792 120.400 -0.775 0.000 2.615 761 D HA 0.121 4.761 4.640 0.000 0.000 0.236 761 D C 0.514 176.698 176.300 -0.193 0.000 1.233 761 D CA -0.570 53.191 54.000 -0.399 0.000 0.829 761 D CB -0.658 39.876 40.800 -0.444 0.000 1.024 761 D HN 0.280 nan 8.370 nan 0.000 0.490 762 M N 1.339 120.880 119.600 -0.099 0.000 2.252 762 M HA 0.272 4.752 4.480 0.000 0.000 0.348 762 M C 0.214 176.523 176.300 0.014 0.000 1.334 762 M CA -0.229 55.066 55.300 -0.008 0.000 1.071 762 M CB 0.749 33.391 32.600 0.071 0.000 1.763 762 M HN 0.196 nan 8.290 nan 0.000 0.452 763 A N 4.370 127.195 122.820 0.008 0.000 2.507 763 A HA -0.006 4.314 4.320 0.000 0.000 0.235 763 A C 0.412 178.009 177.584 0.021 0.000 1.070 763 A CA 0.080 52.125 52.037 0.013 0.000 0.768 763 A CB -0.004 19.003 19.000 0.012 0.000 1.011 763 A HN 0.967 nan 8.150 nan 0.000 0.502 764 D N 0.393 120.806 120.400 0.021 0.000 2.218 764 D HA -0.064 4.576 4.640 0.000 0.000 0.204 764 D C 1.402 177.709 176.300 0.012 0.000 0.976 764 D CA 1.722 55.736 54.000 0.024 0.000 0.853 764 D CB 0.077 40.889 40.800 0.021 0.000 0.939 764 D HN 0.700 nan 8.370 nan 0.000 0.481 765 E N 0.850 121.053 120.200 0.005 0.000 2.072 765 E HA 0.058 4.408 4.350 0.000 0.000 0.191 765 E C 0.769 177.359 176.600 -0.016 0.000 0.985 765 E CA 0.568 56.966 56.400 -0.004 0.000 0.801 765 E CB -0.350 29.349 29.700 -0.002 0.000 0.750 765 E HN 0.235 nan 8.360 nan 0.000 0.452 766 A N 0.072 122.882 122.820 -0.016 0.000 2.540 766 A HA 0.395 4.715 4.320 0.000 0.000 0.239 766 A C 1.460 179.004 177.584 -0.067 0.000 1.061 766 A CA 0.846 52.859 52.037 -0.040 0.000 0.758 766 A CB -0.487 18.495 19.000 -0.029 0.000 0.991 766 A HN 0.468 nan 8.150 nan 0.000 0.502 767 G N 0.731 109.469 108.800 -0.103 0.000 2.195 767 G HA2 -0.192 3.768 3.960 0.000 0.000 0.246 767 G HA3 -0.192 3.768 3.960 0.000 0.000 0.246 767 G C 0.021 174.858 174.900 -0.105 0.000 0.984 767 G CA 0.446 45.464 45.100 -0.137 0.000 0.633 767 G HN 0.900 nan 8.290 nan 0.000 0.525 768 L N 0.394 121.574 121.223 -0.073 0.000 2.303 768 L HA 0.610 4.951 4.340 0.000 0.000 0.266 768 L C -2.045 174.797 176.870 -0.047 0.000 1.011 768 L CA -2.693 52.113 54.840 -0.055 0.000 0.818 768 L CB 1.691 43.728 42.059 -0.037 0.000 1.326 768 L HN -0.168 nan 8.230 nan 0.000 0.435 769 P HA 0.054 nan 4.420 nan 0.000 0.272 769 P C -0.660 176.625 177.300 -0.025 0.000 1.248 769 P CA -0.259 62.822 63.100 -0.033 0.000 0.799 769 P CB 0.495 32.177 31.700 -0.029 0.000 0.997 780 T N 1.756 116.295 114.554 -0.026 0.000 2.771 780 T HA 0.533 4.883 4.350 0.000 0.000 0.291 780 T C 0.421 175.099 174.700 -0.038 0.000 0.954 780 T CA -0.025 62.057 62.100 -0.030 0.000 1.045 780 T CB 1.063 69.920 68.868 -0.018 0.000 0.917 780 T HN 0.134 nan 8.240 nan 0.000 0.484 781 I N 3.453 123.992 120.570 -0.052 0.000 2.519 781 I HA 0.171 4.341 4.170 0.000 0.000 0.287 781 I C 0.330 176.412 176.117 -0.060 0.000 1.047 781 I CA -0.237 61.025 61.300 -0.064 0.000 1.381 781 I CB 0.788 38.734 38.000 -0.090 0.000 1.417 781 I HN 0.259 nan 8.210 nan 0.000 0.540 782 V N 6.782 126.662 119.914 -0.057 0.000 2.530 782 V HA 0.255 4.375 4.120 0.000 0.000 0.282 782 V C 0.282 176.334 176.094 -0.070 0.000 1.048 782 V CA -0.500 61.773 62.300 -0.044 0.000 0.997 782 V CB 0.759 32.564 31.823 -0.030 0.000 0.987 782 V HN 0.413 nan 8.190 nan 0.000 0.477 783 L N 6.606 127.795 121.223 -0.057 0.000 2.334 783 L HA 0.514 4.854 4.340 0.000 0.000 0.275 783 L C -2.133 174.733 176.870 -0.006 0.000 1.036 783 L CA -1.769 53.011 54.840 -0.100 0.000 0.807 783 L CB 1.549 43.554 42.059 -0.089 0.000 1.231 783 L HN 0.452 nan 8.230 nan 0.000 0.438 784 P HA 0.062 nan 4.420 nan 0.000 0.272 784 P C -1.070 176.380 177.300 0.251 0.000 1.240 784 P CA -0.538 62.636 63.100 0.123 0.000 0.791 784 P CB 0.444 32.234 31.700 0.152 0.000 0.978 785 Q N 1.459 121.357 119.800 0.163 0.000 2.314 785 Q HA 0.198 4.538 4.340 0.000 0.000 0.258 785 Q C -2.139 173.925 176.000 0.107 0.000 0.954 785 Q CA -1.688 54.193 55.803 0.130 0.000 0.890 785 Q CB 0.026 28.806 28.738 0.071 0.000 1.210 785 Q HN 0.265 nan 8.270 nan 0.000 0.410 786 P HA 0.062 nan 4.420 nan 0.000 0.271 786 P C -0.709 176.555 177.300 -0.060 0.000 1.216 786 P CA 0.157 63.153 63.100 -0.174 0.000 0.776 786 P CB 0.361 31.949 31.700 -0.187 0.000 0.881 787 I N -1.060 119.472 120.570 -0.063 0.000 2.947 787 I HA 0.496 4.667 4.170 0.000 0.000 0.314 787 I C -0.182 175.960 176.117 0.041 0.000 1.028 787 I CA -1.261 60.049 61.300 0.017 0.000 1.077 787 I CB 1.319 39.351 38.000 0.053 0.000 1.274 787 I HN 0.070 nan 8.210 nan 0.000 0.485 788 N N 1.910 120.656 118.700 0.076 0.000 2.454 788 N HA 0.279 5.019 4.740 0.000 0.000 0.254 788 N C -0.131 175.408 175.510 0.048 0.000 1.228 788 N CA 0.117 53.241 53.050 0.124 0.000 0.900 788 N CB 0.770 39.326 38.487 0.115 0.000 1.089 788 N HN 0.771 nan 8.380 nan 0.000 0.449 789 A N 1.806 124.608 122.820 -0.029 0.000 2.981 789 A HA 0.289 4.609 4.320 0.000 0.000 0.280 789 A C 0.256 177.732 177.584 -0.179 0.000 1.743 789 A CA 0.067 51.956 52.037 -0.247 0.000 1.430 789 A CB -0.616 17.968 19.000 -0.693 0.000 1.085 789 A HN 0.508 nan 8.150 nan 0.000 0.597 790 T N -0.463 114.005 114.554 -0.143 0.000 2.956 790 T HA 0.346 4.696 4.350 0.000 0.000 0.312 790 T C 1.128 175.646 174.700 -0.303 0.000 1.151 790 T CA 0.191 62.181 62.100 -0.183 0.000 1.024 790 T CB 1.164 69.995 68.868 -0.062 0.000 1.140 790 T HN 0.839 nan 8.240 nan 0.000 0.473 791 S N 2.540 117.973 115.700 -0.445 0.000 2.507 791 S HA -0.034 4.436 4.470 0.000 0.000 0.235 791 S C 1.999 176.443 174.600 -0.261 0.000 0.988 791 S CA 1.252 59.090 58.200 -0.605 0.000 0.944 791 S CB -0.407 62.464 63.200 -0.547 0.000 0.762 791 S HN 0.595 nan 8.310 nan 0.000 0.526 792 S N 2.007 117.622 115.700 -0.141 0.000 2.383 792 S HA 0.072 4.542 4.470 0.000 0.000 0.229 792 S C 1.440 176.030 174.600 -0.016 0.000 1.030 792 S CA 1.346 59.512 58.200 -0.056 0.000 1.002 792 S CB -0.445 62.741 63.200 -0.023 0.000 0.829 792 S HN 0.572 nan 8.310 nan 0.000 0.467 793 L N -0.177 121.053 121.223 0.012 0.000 2.592 793 L HA 0.251 4.591 4.340 0.000 0.000 0.227 793 L C -0.415 176.409 176.870 -0.077 0.000 1.127 793 L CA -0.098 54.758 54.840 0.027 0.000 0.884 793 L CB -0.118 41.973 42.059 0.052 0.000 1.065 793 L HN 0.138 nan 8.230 nan 0.000 0.457 794 F N 1.709 121.358 119.950 -0.502 0.000 2.462 794 F HA 0.168 4.695 4.527 -0.000 0.000 0.354 794 F C 1.033 176.638 175.800 -0.326 0.000 1.192 794 F CA -0.925 56.597 58.000 -0.797 0.000 1.173 794 F CB -0.105 38.224 39.000 -1.118 0.000 1.402 794 F HN -0.025 nan 8.300 nan 0.000 0.595 795 E N 2.875 123.034 120.200 -0.069 0.000 2.392 795 E HA 0.071 4.421 4.350 0.000 0.000 0.264 795 E C 1.114 177.648 176.600 -0.111 0.000 1.024 795 E CA -0.225 56.023 56.400 -0.252 0.000 0.903 795 E CB 0.720 29.935 29.700 -0.808 0.000 0.963 795 E HN 0.412 nan 8.360 nan 0.000 0.432 796 R N 1.712 122.175 120.500 -0.063 0.000 2.328 796 R HA -0.130 4.210 4.340 0.000 0.000 0.207 796 R C 1.166 177.513 176.300 0.078 0.000 1.056 796 R CA 0.735 56.916 56.100 0.135 0.000 1.016 796 R CB -0.408 29.985 30.300 0.155 0.000 0.872 796 R HN 0.558 nan 8.270 nan 0.000 0.471 797 Y N -3.038 117.312 120.300 0.083 0.000 2.612 797 Y HA 0.579 5.129 4.550 -0.000 0.000 0.250 797 Y C 0.777 176.587 175.900 -0.149 0.000 1.175 797 Y CA -1.014 57.071 58.100 -0.025 0.000 1.205 797 Y CB -0.223 38.214 38.460 -0.039 0.000 1.201 797 Y HN -0.166 nan 8.280 nan 0.000 0.532 798 G N 0.975 109.584 108.800 -0.318 0.000 2.531 798 G HA2 0.533 4.493 3.960 0.000 0.000 0.313 798 G HA3 0.533 4.493 3.960 0.000 0.000 0.313 798 G C -1.828 172.997 174.900 -0.126 0.000 1.238 798 G CA -0.835 43.913 45.100 -0.587 0.000 0.994 798 G HN 0.180 nan 8.290 nan 0.000 0.493 799 L N -0.160 120.910 121.223 -0.254 0.000 2.376 799 L HA 0.718 5.058 4.340 0.000 0.000 0.275 799 L C -1.744 174.922 176.870 -0.340 0.000 0.987 799 L CA -1.044 53.782 54.840 -0.024 0.000 0.828 799 L CB 1.277 43.426 42.059 0.150 0.000 1.249 799 L HN 0.488 nan 8.230 nan 0.000 0.409 800 Y N 4.666 125.092 120.300 0.210 0.000 2.512 800 Y HA 0.694 5.244 4.550 0.000 0.000 0.348 800 Y C -0.925 175.107 175.900 0.219 0.000 0.990 800 Y CA -0.950 57.194 58.100 0.073 0.000 1.033 800 Y CB 2.093 40.297 38.460 -0.427 0.000 1.259 800 Y HN 0.512 nan 8.280 nan 0.000 0.461 801 L N 4.112 125.550 121.223 0.359 0.000 2.349 801 L HA 0.657 4.997 4.340 0.000 0.000 0.278 801 L C -1.393 175.704 176.870 0.378 0.000 0.996 801 L CA -0.499 54.550 54.840 0.348 0.000 0.825 801 L CB 0.786 43.005 42.059 0.266 0.000 1.243 801 L HN 0.544 nan 8.230 nan 0.000 0.412 802 I N 4.034 124.810 120.570 0.344 0.000 2.339 802 I HA 0.356 4.527 4.170 0.000 0.000 0.290 802 I C -0.905 175.356 176.117 0.240 0.000 0.994 802 I CA -0.518 60.941 61.300 0.264 0.000 1.191 802 I CB 1.641 39.785 38.000 0.239 0.000 1.343 802 I HN 0.540 nan 8.210 nan 0.000 0.458 803 D N 5.499 126.010 120.400 0.184 0.000 2.425 803 D HA 0.215 4.855 4.640 0.000 0.000 0.240 803 D C 0.075 176.437 176.300 0.103 0.000 1.080 803 D CA -0.521 53.578 54.000 0.164 0.000 0.836 803 D CB 0.949 41.888 40.800 0.231 0.000 1.125 803 D HN 0.533 nan 8.370 nan 0.000 0.525 804 N N 2.942 121.701 118.700 0.097 0.000 2.235 804 N HA 0.200 4.940 4.740 0.000 0.000 0.231 804 N C 1.282 176.858 175.510 0.109 0.000 1.177 804 N CA 0.168 53.264 53.050 0.078 0.000 0.874 804 N CB 0.610 39.133 38.487 0.060 0.000 1.097 804 N HN 0.581 nan 8.380 nan 0.000 0.518 805 G N 0.654 109.527 108.800 0.121 0.000 2.284 805 G HA2 -0.382 3.579 3.960 0.000 0.000 0.261 805 G HA3 -0.382 3.579 3.960 0.000 0.000 0.261 805 G C 0.896 175.865 174.900 0.114 0.000 0.997 805 G CA 0.635 45.819 45.100 0.141 0.000 0.621 805 G HN 0.485 nan 8.290 nan 0.000 0.534 806 N N 0.442 119.206 118.700 0.107 0.000 2.564 806 N HA 0.236 4.976 4.740 0.000 0.000 0.202 806 N C 0.690 176.250 175.510 0.083 0.000 1.052 806 N CA 1.344 54.461 53.050 0.112 0.000 0.872 806 N CB 0.475 39.054 38.487 0.153 0.000 1.303 806 N HN 0.613 nan 8.380 nan 0.000 0.440 807 E N -0.349 119.864 120.200 0.021 0.000 2.459 807 E HA 0.564 4.914 4.350 0.000 0.000 0.275 807 E C -1.121 175.400 176.600 -0.132 0.000 0.987 807 E CA -0.575 55.774 56.400 -0.085 0.000 0.828 807 E CB 2.119 31.665 29.700 -0.256 0.000 1.428 807 E HN -0.114 nan 8.360 nan 0.000 0.457 808 L N 1.325 122.414 121.223 -0.223 0.000 2.385 808 L HA 0.578 4.919 4.340 0.000 0.000 0.273 808 L C -1.297 175.443 176.870 -0.216 0.000 0.990 808 L CA -0.638 54.135 54.840 -0.112 0.000 0.821 808 L CB 0.995 43.011 42.059 -0.073 0.000 1.279 808 L HN 0.424 nan 8.230 nan 0.000 0.412 809 F N 3.548 123.554 119.950 0.093 0.000 2.477 809 F HA 0.406 4.933 4.527 -0.000 0.000 0.335 809 F C -0.260 175.669 175.800 0.215 0.000 1.130 809 F CA -0.582 57.505 58.000 0.144 0.000 0.948 809 F CB 1.910 40.949 39.000 0.066 0.000 1.154 809 F HN 0.191 nan 8.300 nan 0.000 0.439 810 L N 4.831 126.287 121.223 0.388 0.000 2.262 810 L HA 0.377 4.717 4.340 0.000 0.000 0.288 810 L C -1.439 175.696 176.870 0.442 0.000 1.035 810 L CA -0.519 54.537 54.840 0.360 0.000 0.820 810 L CB 0.407 42.621 42.059 0.258 0.000 1.204 810 L HN 0.679 nan 8.230 nan 0.000 0.424 811 W N 7.532 129.015 121.300 0.306 0.000 2.329 811 W HA 0.542 5.203 4.660 0.002 0.000 0.312 811 W C -0.679 176.001 176.519 0.268 0.000 1.054 811 W CA -0.814 56.712 57.345 0.302 0.000 1.245 811 W CB 1.293 31.004 29.460 0.418 0.000 1.255 811 W HN 0.507 nan 8.180 nan 0.000 0.436 812 M N 6.623 126.129 119.600 -0.156 0.000 2.167 812 M HA 0.518 4.998 4.480 0.000 0.000 0.333 812 M C 0.658 176.582 176.300 -0.627 0.000 1.030 812 M CA -0.317 54.878 55.300 -0.176 0.000 0.963 812 M CB 0.876 33.425 32.600 -0.086 0.000 1.589 812 M HN 0.544 nan 8.290 nan 0.000 0.431 813 G N 2.615 111.168 108.800 -0.413 0.000 2.474 813 G HA2 0.225 4.185 3.960 0.000 0.000 0.233 813 G HA3 0.225 4.185 3.960 0.000 0.000 0.233 813 G C 0.773 175.476 174.900 -0.327 0.000 1.278 813 G CA -0.012 44.836 45.100 -0.419 0.000 0.861 813 G HN 1.090 nan 8.290 nan 0.000 0.567 814 G N 0.192 108.821 108.800 -0.285 0.000 2.471 814 G HA2 -0.077 3.883 3.960 0.000 0.000 0.219 814 G HA3 -0.077 3.883 3.960 0.000 0.000 0.219 814 G C 0.767 175.587 174.900 -0.132 0.000 1.125 814 G CA 0.680 45.631 45.100 -0.249 0.000 0.775 814 G HN 0.581 nan 8.290 nan 0.000 0.548 815 D N 0.843 121.230 120.400 -0.022 0.000 2.587 815 D HA 0.367 5.007 4.640 0.000 0.000 0.233 815 D C 0.949 177.297 176.300 0.080 0.000 1.213 815 D CA -0.097 53.934 54.000 0.051 0.000 0.827 815 D CB 0.595 41.465 40.800 0.117 0.000 1.006 815 D HN 0.256 nan 8.370 nan 0.000 0.490 816 A N 0.600 123.435 122.820 0.025 0.000 2.477 816 A HA 0.267 4.588 4.320 0.000 0.000 0.246 816 A C 0.772 178.381 177.584 0.041 0.000 1.078 816 A CA -0.336 51.731 52.037 0.050 0.000 0.770 816 A CB 0.585 19.589 19.000 0.006 0.000 1.011 816 A HN 0.063 nan 8.150 nan 0.000 0.494 817 V N 4.665 124.607 119.914 0.046 0.000 2.763 817 V HA 0.014 4.134 4.120 0.000 0.000 0.306 817 V C -1.252 174.869 176.094 0.045 0.000 1.059 817 V CA -0.285 62.032 62.300 0.029 0.000 1.138 817 V CB 0.719 32.546 31.823 0.007 0.000 0.940 817 V HN 0.852 nan 8.190 nan 0.000 0.489 818 P HA -0.185 nan 4.420 nan 0.000 0.217 818 P C 1.445 178.814 177.300 0.114 0.000 1.148 818 P CA 1.731 64.871 63.100 0.067 0.000 0.828 818 P CB 0.167 31.885 31.700 0.031 0.000 0.783 819 A N -0.827 122.043 122.820 0.082 0.000 1.902 819 A HA -0.185 4.135 4.320 0.000 0.000 0.217 819 A C 2.109 179.783 177.584 0.149 0.000 1.181 819 A CA 1.463 53.573 52.037 0.121 0.000 0.623 819 A CB -1.582 17.447 19.000 0.049 0.000 0.818 819 A HN 0.156 nan 8.150 nan 0.000 0.443 820 L N 0.043 121.314 121.223 0.079 0.000 2.005 820 L HA -0.093 4.247 4.340 0.000 0.000 0.207 820 L C 2.420 179.387 176.870 0.161 0.000 1.072 820 L CA 1.994 56.869 54.840 0.057 0.000 0.744 820 L CB -0.644 41.435 42.059 0.034 0.000 0.895 820 L HN 0.161 nan 8.230 nan 0.000 0.433 821 V N -0.314 119.699 119.914 0.165 0.000 2.380 821 V HA -0.337 3.783 4.120 0.000 0.000 0.251 821 V C 2.329 178.601 176.094 0.297 0.000 1.063 821 V CA 2.222 64.645 62.300 0.204 0.000 1.055 821 V CB -1.039 30.851 31.823 0.112 0.000 0.657 821 V HN 0.519 nan 8.190 nan 0.000 0.455 822 F N 1.559 121.580 119.950 0.118 0.000 2.084 822 F HA -0.128 4.399 4.527 -0.000 0.000 0.296 822 F C 2.263 178.139 175.800 0.126 0.000 1.111 822 F CA 1.875 59.942 58.000 0.111 0.000 1.224 822 F CB -0.602 38.437 39.000 0.065 0.000 0.991 822 F HN 0.188 nan 8.300 nan 0.000 0.471 823 D N -0.024 120.399 120.400 0.038 0.000 2.271 823 D HA -0.149 4.491 4.640 0.000 0.000 0.207 823 D C 2.257 178.571 176.300 0.025 0.000 0.983 823 D CA 1.515 55.504 54.000 -0.019 0.000 0.878 823 D CB -0.052 40.807 40.800 0.099 0.000 0.920 823 D HN 0.290 nan 8.370 nan 0.000 0.479 824 V N -1.110 118.849 119.914 0.076 0.000 2.908 824 V HA 0.024 4.144 4.120 0.000 0.000 0.240 824 V C 1.351 177.236 176.094 -0.349 0.000 1.117 824 V CA 0.618 62.872 62.300 -0.077 0.000 1.133 824 V CB -0.086 31.761 31.823 0.040 0.000 0.857 824 V HN -0.007 nan 8.190 nan 0.000 0.478 825 F N 0.181 120.106 119.950 -0.043 0.000 2.724 825 F HA 0.607 5.134 4.527 -0.000 0.000 0.306 825 F C 1.819 177.584 175.800 -0.058 0.000 1.100 825 F CA 0.658 58.635 58.000 -0.039 0.000 1.255 825 F CB 0.764 39.764 39.000 0.001 0.000 1.072 825 F HN 0.221 nan 8.300 nan 0.000 0.589 826 G N -0.124 108.689 108.800 0.023 0.000 2.349 826 G HA2 -0.238 3.722 3.960 0.000 0.000 0.213 826 G HA3 -0.238 3.722 3.960 0.000 0.000 0.213 826 G C 0.608 175.686 174.900 0.298 0.000 1.044 826 G CA 0.155 45.246 45.100 -0.015 0.000 0.633 826 G HN 0.246 nan 8.290 nan 0.000 0.506 827 T N 0.243 114.976 114.554 0.298 0.000 2.888 827 T HA 0.618 4.968 4.350 0.000 0.000 0.283 827 T C 1.039 175.938 174.700 0.330 0.000 1.013 827 T CA 0.351 62.627 62.100 0.293 0.000 0.938 827 T CB 1.364 70.331 68.868 0.165 0.000 1.298 827 T HN 0.250 nan 8.240 nan 0.000 0.580 828 Q N -0.484 119.433 119.800 0.196 0.000 2.185 828 Q HA 0.141 4.482 4.340 0.000 0.000 0.234 828 Q C -0.399 175.663 176.000 0.103 0.000 0.819 828 Q CA -0.130 55.761 55.803 0.146 0.000 0.961 828 Q CB 0.831 29.607 28.738 0.062 0.000 1.140 828 Q HN 0.495 nan 8.270 nan 0.000 0.492 829 D N 1.701 122.163 120.400 0.104 0.000 2.365 829 D HA 0.070 4.710 4.640 0.000 0.000 0.237 829 D C 0.669 177.009 176.300 0.068 0.000 1.190 829 D CA -0.062 54.012 54.000 0.124 0.000 0.867 829 D CB 0.853 41.731 40.800 0.130 0.000 1.050 829 D HN 0.192 nan 8.370 nan 0.000 0.491 830 I N 3.333 123.900 120.570 -0.004 0.000 2.454 830 I HA -0.248 3.923 4.170 0.000 0.000 0.254 830 I C 1.038 176.974 176.117 -0.302 0.000 1.156 830 I CA 0.976 62.139 61.300 -0.229 0.000 1.433 830 I CB 0.038 37.812 38.000 -0.376 0.000 1.082 830 I HN 0.268 nan 8.210 nan 0.000 0.432 831 F N -0.106 119.799 119.950 -0.074 0.000 2.802 831 F HA -0.047 4.481 4.527 0.001 0.000 0.300 831 F C 1.824 177.587 175.800 -0.061 0.000 1.168 831 F CA 0.517 58.477 58.000 -0.066 0.000 1.433 831 F CB -0.353 38.623 39.000 -0.040 0.000 1.115 831 F HN 0.109 nan 8.300 nan 0.000 0.582 832 D N 0.115 120.563 120.400 0.079 0.000 2.363 832 D HA 0.113 4.753 4.640 0.000 0.000 0.214 832 D C 0.588 176.866 176.300 -0.036 0.000 1.093 832 D CA 0.108 54.134 54.000 0.042 0.000 0.837 832 D CB 0.309 41.148 40.800 0.065 0.000 0.948 832 D HN 0.162 nan 8.370 nan 0.000 0.507 833 I N 1.593 122.072 120.570 -0.152 0.000 2.638 833 I HA 0.123 4.293 4.170 0.000 0.000 0.286 833 I C -1.994 174.000 176.117 -0.204 0.000 1.088 833 I CA -1.899 59.196 61.300 -0.341 0.000 1.397 833 I CB 1.237 38.837 38.000 -0.667 0.000 1.414 833 I HN -0.197 nan 8.210 nan 0.000 0.566 834 P HA 0.172 nan 4.420 nan 0.000 0.268 834 P C -1.077 176.223 177.300 -0.000 0.000 1.205 834 P CA 0.091 63.203 63.100 0.019 0.000 0.771 834 P CB 0.429 32.229 31.700 0.166 0.000 0.858 835 I N 1.929 122.521 120.570 0.037 0.000 2.545 835 I HA 0.580 4.751 4.170 0.000 0.000 0.292 835 I C 0.900 177.086 176.117 0.115 0.000 1.040 835 I CA 0.145 61.481 61.300 0.062 0.000 1.068 835 I CB 0.996 39.021 38.000 0.042 0.000 1.251 835 I HN 0.705 nan 8.210 nan 0.000 0.424 836 G N 6.223 115.131 108.800 0.180 0.000 2.482 836 G HA2 -0.186 3.774 3.960 0.000 0.000 0.214 836 G HA3 -0.186 3.774 3.960 0.000 0.000 0.214 836 G C -0.168 174.857 174.900 0.209 0.000 1.271 836 G CA -0.614 44.642 45.100 0.260 0.000 0.944 836 G HN 0.651 nan 8.290 nan 0.000 0.568 837 K N 1.592 122.079 120.400 0.145 0.000 2.095 837 K HA 0.330 4.650 4.320 0.000 0.000 0.258 837 K C -0.015 176.523 176.600 -0.104 0.000 1.120 837 K CA 0.521 56.688 56.287 -0.200 0.000 1.026 837 K CB -0.573 31.825 32.500 -0.171 0.000 1.256 837 K HN 0.497 nan 8.250 nan 0.000 0.360 838 Q N 1.929 121.677 119.800 -0.086 0.000 2.435 838 Q HA 0.226 4.566 4.340 0.000 0.000 0.282 838 Q C -1.037 174.952 176.000 -0.018 0.000 1.020 838 Q CA -1.078 54.712 55.803 -0.022 0.000 0.820 838 Q CB 1.923 30.683 28.738 0.037 0.000 1.436 838 Q HN 0.407 nan 8.270 nan 0.000 0.395 839 E N 0.999 121.194 120.200 -0.009 0.000 2.345 839 E HA 0.340 4.690 4.350 0.000 0.000 0.259 839 E C -0.287 176.300 176.600 -0.022 0.000 1.117 839 E CA -0.284 56.104 56.400 -0.020 0.000 0.913 839 E CB 0.932 30.623 29.700 -0.014 0.000 1.057 839 E HN 0.443 nan 8.360 nan 0.000 0.432 840 I N 2.868 123.390 120.570 -0.082 0.000 2.371 840 I HA 0.126 4.296 4.170 0.000 0.000 0.290 840 I C -1.928 174.094 176.117 -0.159 0.000 1.028 840 I CA -1.785 59.407 61.300 -0.181 0.000 1.345 840 I CB 0.787 38.620 38.000 -0.277 0.000 1.407 840 I HN 0.076 nan 8.210 nan 0.000 0.501 841 P HA 0.034 nan 4.420 nan 0.000 0.269 841 P C -0.734 176.487 177.300 -0.132 0.000 1.215 841 P CA -0.281 62.760 63.100 -0.099 0.000 0.780 841 P CB 0.508 32.179 31.700 -0.048 0.000 0.898 842 V N 3.427 123.286 119.914 -0.092 0.000 2.372 842 V HA 0.064 4.184 4.120 0.000 0.000 0.261 842 V C 0.230 176.269 176.094 -0.092 0.000 1.055 842 V CA -0.196 62.047 62.300 -0.094 0.000 0.930 842 V CB 0.713 32.496 31.823 -0.067 0.000 1.031 842 V HN 0.217 nan 8.190 nan 0.000 0.479 843 V N 5.616 125.456 119.914 -0.123 0.000 2.320 843 V HA 0.218 4.338 4.120 0.000 0.000 0.265 843 V C 0.632 176.661 176.094 -0.108 0.000 1.048 843 V CA -0.638 61.581 62.300 -0.135 0.000 0.865 843 V CB 0.505 32.200 31.823 -0.212 0.000 1.043 843 V HN 0.880 nan 8.190 nan 0.000 0.474 844 E N 4.760 124.918 120.200 -0.071 0.000 2.442 844 E HA 0.040 4.390 4.350 0.000 0.000 0.262 844 E C 0.578 177.157 176.600 -0.035 0.000 1.004 844 E CA 0.211 56.585 56.400 -0.043 0.000 0.928 844 E CB 0.091 29.780 29.700 -0.019 0.000 0.937 844 E HN 0.714 nan 8.360 nan 0.000 0.446 845 N N 0.278 118.966 118.700 -0.019 0.000 2.909 845 N HA -0.190 4.550 4.740 0.000 0.000 0.242 845 N C -0.558 174.952 175.510 -0.001 0.000 0.975 845 N CA 1.150 54.201 53.050 0.001 0.000 0.921 845 N CB -1.116 37.387 38.487 0.027 0.000 1.112 845 N HN 0.325 nan 8.380 nan 0.000 0.581 846 S N 0.583 116.263 115.700 -0.033 0.000 2.474 846 S HA 0.309 4.779 4.470 0.000 0.000 0.320 846 S C 1.197 175.794 174.600 -0.005 0.000 1.067 846 S CA -0.347 57.839 58.200 -0.025 0.000 1.127 846 S CB 1.076 64.219 63.200 -0.095 0.000 0.971 846 S HN 0.292 nan 8.310 nan 0.000 0.472 847 E N 4.619 124.839 120.200 0.032 0.000 2.150 847 E HA -0.127 4.223 4.350 0.000 0.000 0.193 847 E C 1.290 177.912 176.600 0.037 0.000 0.985 847 E CA 1.124 57.539 56.400 0.024 0.000 0.814 847 E CB -0.365 29.358 29.700 0.039 0.000 0.752 847 E HN 0.645 nan 8.360 nan 0.000 0.466 848 F N 2.298 122.215 119.950 -0.056 0.000 2.113 848 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 848 F C 2.113 177.858 175.800 -0.091 0.000 1.103 848 F CA 1.820 59.783 58.000 -0.061 0.000 1.248 848 F CB -0.489 38.484 39.000 -0.044 0.000 0.999 848 F HN 0.134 nan 8.300 nan 0.000 0.475 849 N N 0.391 119.039 118.700 -0.086 0.000 2.192 849 N HA -0.291 4.450 4.740 0.000 0.000 0.188 849 N C 1.888 177.254 175.510 -0.240 0.000 1.013 849 N CA 1.663 54.590 53.050 -0.205 0.000 0.863 849 N CB -0.264 38.128 38.487 -0.159 0.000 0.990 849 N HN 0.467 nan 8.380 nan 0.000 0.430 850 Q N 0.928 120.621 119.800 -0.180 0.000 2.083 850 Q HA -0.001 4.339 4.340 0.000 0.000 0.198 850 Q C 2.037 177.918 176.000 -0.200 0.000 0.969 850 Q CA 1.408 57.116 55.803 -0.158 0.000 0.838 850 Q CB -0.042 28.634 28.738 -0.103 0.000 0.900 850 Q HN 0.332 nan 8.270 nan 0.000 0.436 851 R N -0.771 119.582 120.500 -0.246 0.000 2.148 851 R HA -0.048 4.292 4.340 0.000 0.000 0.227 851 R C 2.209 178.299 176.300 -0.351 0.000 1.103 851 R CA 1.176 57.114 56.100 -0.271 0.000 0.983 851 R CB -0.230 29.912 30.300 -0.263 0.000 0.874 851 R HN 0.134 nan 8.270 nan 0.000 0.451 852 V N 0.740 120.370 119.914 -0.472 0.000 2.323 852 V HA -0.190 3.930 4.120 0.000 0.000 0.244 852 V C 2.153 178.077 176.094 -0.282 0.000 1.041 852 V CA 1.630 63.673 62.300 -0.429 0.000 1.025 852 V CB -0.371 31.155 31.823 -0.494 0.000 0.656 852 V HN 0.209 nan 8.190 nan 0.000 0.451 853 R N 0.285 120.635 120.500 -0.251 0.000 2.152 853 R HA -0.113 4.227 4.340 0.000 0.000 0.232 853 R C 2.151 178.355 176.300 -0.159 0.000 1.117 853 R CA 1.364 57.353 56.100 -0.186 0.000 0.981 853 R CB -0.303 29.899 30.300 -0.163 0.000 0.870 853 R HN 0.519 nan 8.270 nan 0.000 0.451 854 N N 0.429 119.026 118.700 -0.171 0.000 2.135 854 N HA -0.074 4.666 4.740 0.000 0.000 0.186 854 N C 1.663 177.079 175.510 -0.156 0.000 1.027 854 N CA 1.141 54.104 53.050 -0.145 0.000 0.849 854 N CB -0.058 38.346 38.487 -0.140 0.000 1.002 854 N HN 0.177 nan 8.380 nan 0.000 0.425 855 I N 0.672 121.126 120.570 -0.194 0.000 2.315 855 I HA -0.175 3.995 4.170 0.000 0.000 0.248 855 I C 1.806 177.805 176.117 -0.195 0.000 1.117 855 I CA 0.834 62.001 61.300 -0.222 0.000 1.404 855 I CB -0.122 37.707 38.000 -0.285 0.000 1.071 855 I HN 0.069 nan 8.210 nan 0.000 0.419 856 I N 0.709 121.178 120.570 -0.168 0.000 2.353 856 I HA -0.242 3.928 4.170 0.000 0.000 0.248 856 I C 2.050 178.093 176.117 -0.123 0.000 1.119 856 I CA 1.045 62.264 61.300 -0.135 0.000 1.417 856 I CB -0.432 37.491 38.000 -0.127 0.000 1.078 856 I HN 0.296 nan 8.210 nan 0.000 0.421 857 N N 0.457 119.088 118.700 -0.116 0.000 2.216 857 N HA -0.196 4.544 4.740 0.000 0.000 0.183 857 N C 1.850 177.298 175.510 -0.103 0.000 1.017 857 N CA 0.941 53.936 53.050 -0.092 0.000 0.861 857 N CB -0.272 38.169 38.487 -0.075 0.000 0.986 857 N HN 0.292 nan 8.380 nan 0.000 0.428 858 Q N 1.151 120.881 119.800 -0.116 0.000 2.079 858 Q HA 0.096 4.436 4.340 0.000 0.000 0.200 858 Q C 1.905 177.820 176.000 -0.142 0.000 0.974 858 Q CA 1.038 56.767 55.803 -0.122 0.000 0.840 858 Q CB -0.386 28.282 28.738 -0.116 0.000 0.898 858 Q HN 0.350 nan 8.270 nan 0.000 0.430 859 L N -0.285 120.872 121.223 -0.109 0.000 2.353 859 L HA -0.086 4.254 4.340 0.000 0.000 0.220 859 L C 2.083 178.939 176.870 -0.023 0.000 1.133 859 L CA 0.928 55.750 54.840 -0.029 0.000 0.798 859 L CB -0.180 41.878 42.059 -0.003 0.000 0.922 859 L HN 0.143 nan 8.230 nan 0.000 0.445 860 R N 0.119 120.547 120.500 -0.121 0.000 2.280 860 R HA 0.046 4.386 4.340 0.000 0.000 0.195 860 R C 0.399 176.594 176.300 -0.175 0.000 0.935 860 R CA 0.001 56.036 56.100 -0.107 0.000 1.033 860 R CB 0.015 30.233 30.300 -0.136 0.000 0.964 860 R HN 0.547 nan 8.270 nan 0.000 0.489 861 N N 0.386 118.877 118.700 -0.349 0.000 2.408 861 N HA 0.142 4.883 4.740 0.000 0.000 0.280 861 N C -1.090 174.087 175.510 -0.556 0.000 1.002 861 N CA -0.629 52.247 53.050 -0.290 0.000 0.907 861 N CB 0.951 39.368 38.487 -0.116 0.000 1.161 861 N HN -0.044 nan 8.380 nan 0.000 0.488 862 H N 1.170 120.311 119.070 0.118 0.000 2.894 862 H HA 0.124 4.680 4.556 0.000 0.000 0.367 862 H C -0.740 174.670 175.328 0.137 0.000 1.144 862 H CA -0.686 55.451 56.048 0.147 0.000 1.180 862 H CB 2.132 31.990 29.762 0.160 0.000 1.758 862 H HN 0.839 nan 8.280 nan 0.000 0.541 863 D N -0.413 120.149 120.400 0.270 0.000 2.368 863 D HA -0.037 4.603 4.640 0.000 0.000 0.218 863 D C 0.526 176.935 176.300 0.181 0.000 1.112 863 D CA -0.115 54.030 54.000 0.241 0.000 0.834 863 D CB 0.257 41.218 40.800 0.268 0.000 0.953 863 D HN 0.494 nan 8.370 nan 0.000 0.505 864 D N -0.296 120.201 120.400 0.162 0.000 2.479 864 D HA 0.054 4.694 4.640 0.000 0.000 0.216 864 D C 0.697 176.958 176.300 -0.066 0.000 1.110 864 D CA -0.027 54.001 54.000 0.047 0.000 0.841 864 D CB 0.234 41.078 40.800 0.074 0.000 1.040 864 D HN 0.192 nan 8.370 nan 0.000 0.505 865 V N -1.120 118.743 119.914 -0.084 0.000 3.078 865 V HA 0.475 4.595 4.120 0.000 0.000 0.311 865 V C 1.237 177.315 176.094 -0.026 0.000 1.138 865 V CA -1.112 61.092 62.300 -0.160 0.000 1.007 865 V CB 2.002 33.544 31.823 -0.468 0.000 1.045 865 V HN 0.042 nan 8.190 nan 0.000 0.432 866 I N -1.736 118.834 120.570 0.000 0.000 3.226 866 I HA 0.203 4.374 4.170 0.000 0.000 0.277 866 I C 0.941 177.114 176.117 0.093 0.000 1.243 866 I CA 0.311 61.648 61.300 0.062 0.000 1.459 866 I CB -0.074 37.966 38.000 0.066 0.000 1.093 866 I HN 0.697 nan 8.210 nan 0.000 0.453 867 T N 2.553 117.139 114.554 0.054 0.000 2.849 867 T HA -0.140 4.210 4.350 0.000 0.000 0.289 867 T C -0.775 174.045 174.700 0.200 0.000 1.010 867 T CA 0.687 62.848 62.100 0.102 0.000 1.161 867 T CB -0.277 68.599 68.868 0.015 0.000 0.989 867 T HN 0.395 nan 8.240 nan 0.000 0.523 868 Y N 3.245 123.613 120.300 0.113 0.000 2.338 868 Y HA 0.336 4.886 4.550 -0.000 0.000 0.328 868 Y C -0.118 175.846 175.900 0.107 0.000 0.965 868 Y CA -1.041 57.126 58.100 0.111 0.000 1.208 868 Y CB 0.969 39.490 38.460 0.102 0.000 1.132 868 Y HN 0.583 nan 8.280 nan 0.000 0.469 869 Q N 4.108 123.687 119.800 -0.368 0.000 2.314 869 Q HA 0.345 4.685 4.340 0.000 0.000 0.257 869 Q C -0.135 175.647 176.000 -0.364 0.000 0.975 869 Q CA -0.522 55.143 55.803 -0.230 0.000 0.933 869 Q CB 1.206 29.867 28.738 -0.128 0.000 1.195 869 Q HN 0.658 nan 8.270 nan 0.000 0.426 870 S N 2.005 117.629 115.700 -0.127 0.000 2.572 870 S HA 0.164 4.634 4.470 0.000 0.000 0.279 870 S C -0.350 174.028 174.600 -0.371 0.000 1.341 870 S CA -0.526 57.566 58.200 -0.179 0.000 1.043 870 S CB 0.388 63.488 63.200 -0.167 0.000 0.887 870 S HN 0.411 nan 8.310 nan 0.000 0.516 871 L N 3.626 124.616 121.223 -0.389 0.000 2.295 871 L HA 0.515 4.855 4.340 0.000 0.000 0.285 871 L C -1.654 174.925 176.870 -0.486 0.000 1.035 871 L CA -0.241 54.396 54.840 -0.337 0.000 0.806 871 L CB 0.270 42.229 42.059 -0.167 0.000 1.214 871 L HN 0.562 nan 8.230 nan 0.000 0.426 872 Y N 5.498 125.686 120.300 -0.187 0.000 2.341 872 Y HA 0.550 5.100 4.550 0.000 0.000 0.338 872 Y C -0.129 175.830 175.900 0.099 0.000 0.965 872 Y CA -0.552 57.505 58.100 -0.072 0.000 1.108 872 Y CB 1.496 39.816 38.460 -0.235 0.000 1.180 872 Y HN 0.421 nan 8.280 nan 0.000 0.458 873 I N 4.607 125.334 120.570 0.262 0.000 2.336 873 I HA 0.463 4.633 4.170 0.000 0.000 0.292 873 I C -0.842 175.405 176.117 0.217 0.000 0.991 873 I CA -0.845 60.604 61.300 0.249 0.000 1.227 873 I CB 1.086 39.225 38.000 0.232 0.000 1.366 873 I HN 0.251 nan 8.210 nan 0.000 0.466 874 V N 6.587 126.614 119.914 0.188 0.000 2.656 874 V HA 0.483 4.603 4.120 0.000 0.000 0.307 874 V C -0.161 175.811 176.094 -0.204 0.000 1.051 874 V CA -0.809 61.536 62.300 0.075 0.000 0.893 874 V CB 2.219 34.178 31.823 0.226 0.000 0.999 874 V HN 0.684 nan 8.190 nan 0.000 0.426 875 R N 1.944 122.288 120.500 -0.260 0.000 2.393 875 R HA 0.690 5.030 4.340 0.000 0.000 0.310 875 R C 0.193 176.223 176.300 -0.450 0.000 0.968 875 R CA -0.136 55.709 56.100 -0.426 0.000 0.867 875 R CB 1.678 31.770 30.300 -0.346 0.000 1.124 875 R HN 0.950 nan 8.270 nan 0.000 0.450 876 G N 1.928 110.323 108.800 -0.676 0.000 2.583 876 G HA2 0.530 4.490 3.960 0.000 0.000 0.280 876 G HA3 0.530 4.490 3.960 0.000 0.000 0.280 876 G C -0.426 174.362 174.900 -0.187 0.000 1.376 876 G CA -0.232 44.648 45.100 -0.368 0.000 1.043 876 G HN 0.967 nan 8.290 nan 0.000 0.538 889 R N 0.856 121.378 120.500 0.037 0.000 2.189 889 R HA -0.044 4.296 4.340 0.000 0.000 0.223 889 R C 1.957 178.282 176.300 0.042 0.000 1.092 889 R CA 1.411 57.531 56.100 0.033 0.000 0.989 889 R CB -0.061 30.253 30.300 0.024 0.000 0.876 889 R HN 0.798 nan 8.270 nan 0.000 0.457 890 E N 0.797 121.028 120.200 0.052 0.000 2.107 890 E HA -0.114 4.236 4.350 0.000 0.000 0.191 890 E C 1.658 178.310 176.600 0.086 0.000 0.982 890 E CA 0.950 57.392 56.400 0.070 0.000 0.809 890 E CB 0.217 29.962 29.700 0.075 0.000 0.756 890 E HN 0.067 nan 8.360 nan 0.000 0.459 891 V N 1.371 121.329 119.914 0.072 0.000 2.515 891 V HA -0.187 3.933 4.120 0.000 0.000 0.250 891 V C 2.493 178.631 176.094 0.074 0.000 1.058 891 V CA 1.639 63.982 62.300 0.070 0.000 1.064 891 V CB -0.664 31.188 31.823 0.048 0.000 0.675 891 V HN 0.451 nan 8.190 nan 0.000 0.461 892 A N -0.050 122.808 122.820 0.063 0.000 1.929 892 A HA -0.159 4.162 4.320 0.000 0.000 0.216 892 A C 2.401 180.023 177.584 0.064 0.000 1.176 892 A CA 2.190 54.261 52.037 0.057 0.000 0.628 892 A CB -0.825 18.199 19.000 0.041 0.000 0.816 892 A HN 0.480 nan 8.150 nan 0.000 0.444 893 T N 0.616 115.210 114.554 0.067 0.000 2.708 893 T HA -0.083 4.267 4.350 0.000 0.000 0.266 893 T C 1.832 176.615 174.700 0.137 0.000 1.037 893 T CA 1.467 63.609 62.100 0.070 0.000 1.146 893 T CB -0.393 68.507 68.868 0.054 0.000 0.865 893 T HN 0.355 nan 8.240 nan 0.000 0.435 894 L N 0.402 121.731 121.223 0.177 0.000 2.012 894 L HA -0.119 4.221 4.340 0.000 0.000 0.210 894 L C 2.917 179.902 176.870 0.192 0.000 1.073 894 L CA 1.516 56.510 54.840 0.256 0.000 0.748 894 L CB -0.480 41.733 42.059 0.258 0.000 0.891 894 L HN 0.156 nan 8.230 nan 0.000 0.431 895 R N -0.444 120.147 120.500 0.151 0.000 2.091 895 R HA -0.202 4.138 4.340 0.000 0.000 0.238 895 R C 2.229 178.567 176.300 0.063 0.000 1.136 895 R CA 1.309 57.496 56.100 0.144 0.000 0.959 895 R CB -0.558 29.827 30.300 0.142 0.000 0.856 895 R HN 0.186 nan 8.270 nan 0.000 0.437 896 L N -0.053 121.209 121.223 0.065 0.000 1.989 896 L HA -0.196 4.144 4.340 0.000 0.000 0.211 896 L C 2.094 178.993 176.870 0.050 0.000 1.071 896 L CA 1.692 56.552 54.840 0.033 0.000 0.749 896 L CB -0.512 41.565 42.059 0.029 0.000 0.890 896 L HN 0.257 nan 8.230 nan 0.000 0.431 897 W N 0.248 121.456 121.300 -0.153 0.000 2.354 897 W HA -0.187 4.473 4.660 -0.000 0.000 0.315 897 W C 2.495 178.706 176.519 -0.513 0.000 1.206 897 W CA 2.093 59.294 57.345 -0.240 0.000 1.290 897 W CB -1.039 28.341 29.460 -0.133 0.000 1.152 897 W HN 0.295 nan 8.180 nan 0.000 0.489 898 A N -0.269 122.193 122.820 -0.595 0.000 1.883 898 A HA -0.271 4.049 4.320 0.000 0.000 0.217 898 A C 2.231 179.464 177.584 -0.584 0.000 1.186 898 A CA 2.866 54.299 52.037 -1.008 0.000 0.624 898 A CB -1.557 17.137 19.000 -0.509 0.000 0.822 898 A HN 0.295 nan 8.150 nan 0.000 0.444 899 S N 0.265 115.750 115.700 -0.359 0.000 2.400 899 S HA -0.153 4.317 4.470 0.000 0.000 0.232 899 S C 2.079 176.503 174.600 -0.294 0.000 1.025 899 S CA 2.014 60.004 58.200 -0.351 0.000 0.993 899 S CB -0.565 62.501 63.200 -0.225 0.000 0.808 899 S HN 0.892 nan 8.310 nan 0.000 0.478 900 S N 0.391 115.967 115.700 -0.207 0.000 2.522 900 S HA -0.043 4.427 4.470 0.000 0.000 0.227 900 S C 1.821 176.312 174.600 -0.180 0.000 0.986 900 S CA 1.081 59.197 58.200 -0.140 0.000 0.929 900 S CB -0.891 62.292 63.200 -0.029 0.000 0.769 900 S HN 0.772 nan 8.310 nan 0.000 0.529 901 T N 0.548 114.933 114.554 -0.283 0.000 3.023 901 T HA 0.211 4.561 4.350 0.000 0.000 0.266 901 T C 0.902 175.425 174.700 -0.294 0.000 1.093 901 T CA 0.093 62.025 62.100 -0.279 0.000 1.129 901 T CB -0.762 67.896 68.868 -0.350 0.000 0.899 901 T HN 0.429 nan 8.240 nan 0.000 0.491 902 L N 3.986 125.007 121.223 -0.337 0.000 2.416 902 L HA 0.230 4.570 4.340 0.000 0.000 0.243 902 L C 1.873 178.595 176.870 -0.246 0.000 1.373 902 L CA -0.582 54.051 54.840 -0.345 0.000 1.227 902 L CB -0.203 41.587 42.059 -0.450 0.000 1.428 902 L HN 0.184 nan 8.230 nan 0.000 0.425 903 V N -1.876 117.901 119.914 -0.229 0.000 2.944 903 V HA -0.243 3.877 4.120 0.000 0.000 0.265 903 V C 1.745 177.823 176.094 -0.027 0.000 1.125 903 V CA 1.522 63.740 62.300 -0.137 0.000 1.145 903 V CB -0.585 31.159 31.823 -0.132 0.000 0.725 903 V HN 0.727 nan 8.190 nan 0.000 0.510 904 E N 0.249 120.439 120.200 -0.017 0.000 2.435 904 E HA 0.003 4.354 4.350 0.000 0.000 0.195 904 E C 0.228 176.888 176.600 0.100 0.000 1.029 904 E CA 0.334 56.798 56.400 0.106 0.000 0.865 904 E CB 0.115 29.877 29.700 0.104 0.000 0.833 904 E HN 0.746 nan 8.360 nan 0.000 0.510 905 D N 1.002 121.406 120.400 0.006 0.000 2.340 905 D HA 0.055 4.695 4.640 0.000 0.000 0.251 905 D C -0.026 176.287 176.300 0.021 0.000 1.080 905 D CA -0.298 53.695 54.000 -0.012 0.000 0.971 905 D CB 0.869 41.609 40.800 -0.100 0.000 1.137 905 D HN -0.138 nan 8.370 nan 0.000 0.475 906 K N 1.354 121.763 120.400 0.015 0.000 2.412 906 K HA 0.177 4.498 4.320 0.000 0.000 0.284 906 K C -0.770 175.825 176.600 -0.008 0.000 1.046 906 K CA 0.124 56.427 56.287 0.026 0.000 0.999 906 K CB 0.051 32.560 32.500 0.014 0.000 0.941 906 K HN 0.377 nan 8.250 nan 0.000 0.474 907 I N 7.968 128.536 120.570 -0.005 0.000 2.493 907 I HA 0.111 4.281 4.170 0.000 0.000 0.279 907 I C 0.377 176.483 176.117 -0.019 0.000 1.045 907 I CA -0.539 60.743 61.300 -0.030 0.000 1.106 907 I CB 0.804 38.773 38.000 -0.051 0.000 1.216 907 I HN 0.896 nan 8.210 nan 0.000 0.459 908 L N 3.979 125.191 121.223 -0.018 0.000 4.984 908 L HA -0.375 3.965 4.340 0.000 0.000 0.053 908 L C 0.660 177.529 176.870 -0.001 0.000 3.554 908 L CA 1.161 55.994 54.840 -0.012 0.000 1.191 908 L CB -1.028 41.022 42.059 -0.017 0.000 3.199 908 L HN 0.668 nan 8.230 nan 0.000 1.006 909 N N 0.929 119.632 118.700 0.005 0.000 2.234 909 N HA 0.195 4.935 4.740 0.000 0.000 0.227 909 N C -0.702 174.826 175.510 0.031 0.000 1.151 909 N CA 0.048 53.107 53.050 0.016 0.000 0.865 909 N CB 0.163 38.658 38.487 0.013 0.000 1.066 909 N HN 0.384 nan 8.380 nan 0.000 0.515 910 N N 1.678 120.398 118.700 0.034 0.000 2.362 910 N HA 0.083 4.823 4.740 0.000 0.000 0.298 910 N C 0.214 175.782 175.510 0.098 0.000 1.048 910 N CA -0.368 52.720 53.050 0.064 0.000 0.858 910 N CB 2.096 40.598 38.487 0.026 0.000 1.218 910 N HN 0.188 nan 8.380 nan 0.000 0.488 911 E N 0.601 120.894 120.200 0.155 0.000 2.392 911 E HA 0.144 4.494 4.350 0.000 0.000 0.256 911 E C -0.085 176.641 176.600 0.210 0.000 1.145 911 E CA -0.409 56.080 56.400 0.148 0.000 0.929 911 E CB 0.429 30.209 29.700 0.133 0.000 0.998 911 E HN 0.499 nan 8.360 nan 0.000 0.442 912 S N 0.389 116.170 115.700 0.134 0.000 2.617 912 S HA -0.009 4.461 4.470 0.000 0.000 0.259 912 S C 0.962 175.630 174.600 0.113 0.000 1.301 912 S CA -0.395 57.894 58.200 0.149 0.000 0.984 912 S CB 0.146 63.391 63.200 0.075 0.000 0.954 912 S HN 0.610 nan 8.310 nan 0.000 0.572 913 Y N 1.473 121.761 120.300 -0.021 0.000 2.181 913 Y HA -0.063 4.487 4.550 0.000 0.000 0.288 913 Y C 2.508 178.368 175.900 -0.066 0.000 1.146 913 Y CA 1.585 59.576 58.100 -0.182 0.000 1.164 913 Y CB -0.584 37.862 38.460 -0.023 0.000 0.982 913 Y HN 0.695 nan 8.280 nan 0.000 0.515 914 R N 0.279 120.699 120.500 -0.133 0.000 2.112 914 R HA -0.229 4.111 4.340 0.000 0.000 0.242 914 R C 2.182 178.364 176.300 -0.196 0.000 1.137 914 R CA 2.304 58.278 56.100 -0.211 0.000 0.944 914 R CB -0.381 29.871 30.300 -0.079 0.000 0.857 914 R HN 0.522 nan 8.270 nan 0.000 0.435 915 E N -0.291 119.849 120.200 -0.101 0.000 2.106 915 E HA -0.198 4.152 4.350 0.000 0.000 0.192 915 E C 1.767 178.304 176.600 -0.104 0.000 0.984 915 E CA 0.964 57.316 56.400 -0.079 0.000 0.806 915 E CB -0.254 29.436 29.700 -0.018 0.000 0.750 915 E HN 0.241 nan 8.360 nan 0.000 0.458 916 F N 1.986 121.779 119.950 -0.262 0.000 2.063 916 F HA -0.266 4.262 4.527 0.000 0.000 0.298 916 F C 1.900 177.554 175.800 -0.243 0.000 1.109 916 F CA 1.554 59.386 58.000 -0.281 0.000 1.212 916 F CB -0.312 38.320 39.000 -0.615 0.000 0.973 916 F HN -0.087 nan 8.300 nan 0.000 0.480 917 L N -0.153 120.814 121.223 -0.426 0.000 2.042 917 L HA -0.258 4.082 4.340 0.000 0.000 0.210 917 L C 2.695 179.360 176.870 -0.342 0.000 1.076 917 L CA 1.250 55.823 54.840 -0.444 0.000 0.749 917 L CB -0.891 40.919 42.059 -0.416 0.000 0.893 917 L HN 0.220 nan 8.230 nan 0.000 0.432 918 Q N -0.034 119.611 119.800 -0.259 0.000 2.084 918 Q HA -0.169 4.172 4.340 0.000 0.000 0.202 918 Q C 2.312 178.200 176.000 -0.187 0.000 0.978 918 Q CA 1.626 57.320 55.803 -0.182 0.000 0.844 918 Q CB -0.348 28.312 28.738 -0.131 0.000 0.898 918 Q HN 0.567 nan 8.270 nan 0.000 0.426 919 I N 0.229 120.668 120.570 -0.219 0.000 2.208 919 I HA -0.300 3.870 4.170 0.000 0.000 0.245 919 I C 2.295 178.266 176.117 -0.242 0.000 1.097 919 I CA 0.942 62.123 61.300 -0.198 0.000 1.363 919 I CB -0.267 37.622 38.000 -0.184 0.000 1.051 919 I HN 0.211 nan 8.210 nan 0.000 0.413 920 M N 0.333 119.702 119.600 -0.385 0.000 2.086 920 M HA -0.224 4.256 4.480 0.000 0.000 0.261 920 M C 2.335 178.520 176.300 -0.192 0.000 1.067 920 M CA 1.694 56.794 55.300 -0.333 0.000 1.116 920 M CB -1.129 31.194 32.600 -0.461 0.000 1.348 920 M HN 0.181 nan 8.290 nan 0.000 0.407 921 K N 0.184 120.477 120.400 -0.178 0.000 2.063 921 K HA -0.138 4.182 4.320 0.000 0.000 0.208 921 K C 1.885 178.432 176.600 -0.088 0.000 1.048 921 K CA 1.662 57.880 56.287 -0.114 0.000 0.928 921 K CB -0.048 32.388 32.500 -0.107 0.000 0.713 921 K HN 0.248 nan 8.250 nan 0.000 0.442 922 A N 1.309 124.071 122.820 -0.095 0.000 1.972 922 A HA -0.138 4.182 4.320 0.000 0.000 0.219 922 A C 2.006 179.554 177.584 -0.060 0.000 1.169 922 A CA 1.290 53.285 52.037 -0.070 0.000 0.635 922 A CB -0.344 18.616 19.000 -0.068 0.000 0.810 922 A HN 0.357 nan 8.150 nan 0.000 0.446 923 R N -0.046 120.411 120.500 -0.072 0.000 2.093 923 R HA 0.058 4.398 4.340 0.000 0.000 0.224 923 R C 1.567 177.843 176.300 -0.040 0.000 1.101 923 R CA 1.341 57.409 56.100 -0.054 0.000 0.979 923 R CB -0.530 29.732 30.300 -0.064 0.000 0.877 923 R HN 0.758 nan 8.270 nan 0.000 0.441 924 I N -0.939 119.605 120.570 -0.043 0.000 3.764 924 I HA 0.194 4.364 4.170 0.000 0.000 0.312 924 I C -0.520 175.583 176.117 -0.023 0.000 1.340 924 I CA -0.026 61.258 61.300 -0.025 0.000 1.195 924 I CB 0.162 38.152 38.000 -0.018 0.000 1.068 924 I HN -0.163 nan 8.210 nan 0.000 0.421 925 S N 0.775 116.459 115.700 -0.027 0.000 2.664 925 S HA 0.577 5.047 4.470 0.000 0.000 0.304 925 S C -0.166 174.422 174.600 -0.020 0.000 1.099 925 S CA -0.787 57.398 58.200 -0.024 0.000 1.003 925 S CB 2.347 65.529 63.200 -0.029 0.000 1.092 925 S HN 0.288 nan 8.310 nan 0.000 0.525 926 K N 0.000 120.389 120.400 -0.018 0.000 2.780 926 K HA 0.000 4.320 4.320 0.000 0.000 0.191 926 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 926 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 926 K HN 0.000 nan 8.250 nan 0.000 0.543