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 1e8z_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMA KXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL PRNTDLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNX XHPIAXXXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS AEKYDVSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGXFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHXXXXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVL 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.610 174.600 0.017 0.000 1.055 144 S CA 0.000 58.207 58.200 0.011 0.000 1.107 144 S CB 0.000 63.202 63.200 0.004 0.000 0.593 145 E N 0.281 120.490 120.200 0.015 0.000 2.228 145 E HA 0.230 4.587 4.350 0.011 0.000 0.197 145 E C 1.459 178.077 176.600 0.030 0.000 0.909 145 E CA 0.338 56.749 56.400 0.020 0.000 0.911 145 E CB -0.095 29.613 29.700 0.014 0.000 0.887 145 E HN 0.614 nan 8.360 nan 0.000 0.481 146 E N 0.944 121.159 120.200 0.025 0.000 2.338 146 E HA -0.089 4.267 4.350 0.011 0.000 0.197 146 E C 1.849 178.492 176.600 0.072 0.000 1.007 146 E CA 0.755 57.176 56.400 0.036 0.000 0.849 146 E CB 0.166 29.869 29.700 0.005 0.000 0.774 146 E HN 0.173 nan 8.360 nan 0.000 0.506 147 S N -0.144 115.596 115.700 0.066 0.000 2.406 147 S HA -0.140 4.337 4.470 0.011 0.000 0.228 147 S C 1.860 176.543 174.600 0.139 0.000 1.020 147 S CA 0.659 58.931 58.200 0.119 0.000 0.965 147 S CB -0.119 63.129 63.200 0.079 0.000 0.798 147 S HN 0.213 nan 8.310 nan 0.000 0.488 148 Q N 1.123 120.972 119.800 0.083 0.000 2.084 148 Q HA 0.012 4.358 4.340 0.011 0.000 0.202 148 Q C 2.599 178.638 176.000 0.065 0.000 0.978 148 Q CA 1.627 57.465 55.803 0.059 0.000 0.844 148 Q CB -0.533 28.227 28.738 0.037 0.000 0.898 148 Q HN 0.797 nan 8.270 nan 0.000 0.426 149 A N 0.217 123.088 122.820 0.085 0.000 1.929 149 A HA -0.154 4.172 4.320 0.011 0.000 0.216 149 A C 1.824 179.484 177.584 0.126 0.000 1.176 149 A CA 0.844 52.932 52.037 0.085 0.000 0.628 149 A CB -0.620 18.430 19.000 0.084 0.000 0.816 149 A HN 0.430 nan 8.150 nan 0.000 0.444 150 F N 0.657 120.611 119.950 0.007 0.000 2.146 150 F HA -0.146 4.387 4.527 0.011 0.000 0.298 150 F C 2.291 178.096 175.800 0.008 0.000 1.096 150 F CA 2.096 60.102 58.000 0.009 0.000 1.275 150 F CB -0.378 38.625 39.000 0.005 0.000 1.008 150 F HN 0.307 nan 8.300 nan 0.000 0.480 151 Q N 0.541 120.329 119.800 -0.019 0.000 2.224 151 Q HA -0.120 4.226 4.340 0.011 0.000 0.203 151 Q C 2.224 178.147 176.000 -0.127 0.000 0.970 151 Q CA 1.475 57.205 55.803 -0.122 0.000 0.865 151 Q CB -0.186 28.544 28.738 -0.012 0.000 0.922 151 Q HN 0.391 nan 8.270 nan 0.000 0.445 152 R N -0.582 119.877 120.500 -0.068 0.000 2.066 152 R HA -0.130 4.216 4.340 0.011 0.000 0.232 152 R C 2.348 178.602 176.300 -0.076 0.000 1.131 152 R CA 1.620 57.688 56.100 -0.053 0.000 0.955 152 R CB -0.292 30.001 30.300 -0.012 0.000 0.851 152 R HN 0.402 nan 8.270 nan 0.000 0.432 153 Q N 0.862 120.606 119.800 -0.093 0.000 2.084 153 Q HA -0.149 4.197 4.340 0.011 0.000 0.202 153 Q C 2.156 178.072 176.000 -0.140 0.000 0.978 153 Q CA 1.308 57.059 55.803 -0.087 0.000 0.844 153 Q CB 0.016 28.723 28.738 -0.051 0.000 0.898 153 Q HN 0.351 nan 8.270 nan 0.000 0.426 154 L N 0.001 121.059 121.223 -0.275 0.000 2.012 154 L HA -0.218 4.129 4.340 0.011 0.000 0.210 154 L C 2.512 179.303 176.870 -0.132 0.000 1.073 154 L CA 1.756 56.445 54.840 -0.252 0.000 0.748 154 L CB -0.949 40.886 42.059 -0.372 0.000 0.891 154 L HN 0.293 nan 8.230 nan 0.000 0.431 155 T N 0.081 114.565 114.554 -0.116 0.000 2.699 155 T HA -0.230 4.126 4.350 0.011 0.000 0.268 155 T C 1.896 176.566 174.700 -0.050 0.000 1.036 155 T CA 1.531 63.587 62.100 -0.074 0.000 1.147 155 T CB -0.259 68.562 68.868 -0.078 0.000 0.862 155 T HN 0.488 nan 8.240 nan 0.000 0.446 156 A N 0.426 123.219 122.820 -0.045 0.000 2.066 156 A HA 0.204 4.530 4.320 0.011 0.000 0.218 156 A C 2.240 179.822 177.584 -0.003 0.000 1.157 156 A CA 0.728 52.755 52.037 -0.017 0.000 0.670 156 A CB -0.516 18.480 19.000 -0.007 0.000 0.804 156 A HN 0.468 nan 8.150 nan 0.000 0.453 157 L N -0.904 120.311 121.223 -0.014 0.000 2.095 157 L HA -0.027 4.319 4.340 0.011 0.000 0.204 157 L C 2.327 179.164 176.870 -0.056 0.000 1.080 157 L CA 0.885 55.740 54.840 0.025 0.000 0.759 157 L CB -0.334 41.752 42.059 0.046 0.000 0.914 157 L HN 0.338 nan 8.230 nan 0.000 0.439 158 I N -0.425 120.094 120.570 -0.086 0.000 2.286 158 I HA -0.107 4.070 4.170 0.011 0.000 0.245 158 I C 1.562 177.626 176.117 -0.088 0.000 1.104 158 I CA 1.127 62.349 61.300 -0.131 0.000 1.397 158 I CB -0.393 37.575 38.000 -0.054 0.000 1.072 158 I HN 0.461 nan 8.210 nan 0.000 0.417 159 G N 0.069 108.859 108.800 -0.018 0.000 2.132 159 G HA2 -0.310 3.656 3.960 0.011 0.000 0.228 159 G HA3 -0.310 3.656 3.960 0.011 0.000 0.228 159 G C -0.142 174.828 174.900 0.116 0.000 1.000 159 G CA -0.011 45.105 45.100 0.026 0.000 0.693 159 G HN 0.371 nan 8.290 nan 0.000 0.515 160 Y N -0.400 119.867 120.300 -0.055 0.000 2.465 160 Y HA 0.450 5.007 4.550 0.011 0.000 0.323 160 Y C -1.325 174.546 175.900 -0.048 0.000 1.191 160 Y CA -0.869 57.206 58.100 -0.042 0.000 1.082 160 Y CB 1.558 39.996 38.460 -0.037 0.000 1.334 160 Y HN 0.139 nan 8.280 nan 0.000 0.449 161 D N 4.227 124.354 120.400 -0.456 0.000 2.393 161 D HA 0.243 4.889 4.640 0.011 0.000 0.232 161 D C 1.043 177.234 176.300 -0.182 0.000 1.192 161 D CA -0.052 53.787 54.000 -0.269 0.000 0.882 161 D CB 1.074 41.711 40.800 -0.271 0.000 1.038 161 D HN 0.455 nan 8.370 nan 0.000 0.499 162 V N 1.718 121.661 119.914 0.048 0.000 3.026 162 V HA -0.158 3.969 4.120 0.011 0.000 0.265 162 V C 1.807 177.930 176.094 0.047 0.000 1.121 162 V CA 1.868 64.244 62.300 0.126 0.000 1.142 162 V CB -1.528 30.342 31.823 0.079 0.000 0.730 162 V HN 0.699 nan 8.190 nan 0.000 0.503 163 T N -2.438 112.108 114.554 -0.013 0.000 3.107 163 T HA 0.064 4.421 4.350 0.011 0.000 0.249 163 T C 0.564 175.248 174.700 -0.027 0.000 1.096 163 T CA 0.350 62.442 62.100 -0.013 0.000 1.012 163 T CB -0.538 68.319 68.868 -0.019 0.000 0.977 163 T HN 0.581 nan 8.240 nan 0.000 0.527 164 D N 0.637 121.000 120.400 -0.062 0.000 2.424 164 D HA 0.184 4.831 4.640 0.011 0.000 0.244 164 D C 0.571 176.861 176.300 -0.017 0.000 1.134 164 D CA -0.056 53.898 54.000 -0.076 0.000 0.881 164 D CB 1.053 41.745 40.800 -0.180 0.000 1.191 164 D HN 0.055 nan 8.370 nan 0.000 0.445 165 V N 2.493 122.397 119.914 -0.017 0.000 3.199 165 V HA 0.004 4.130 4.120 0.011 0.000 0.331 165 V C 1.661 177.753 176.094 -0.004 0.000 1.446 165 V CA 0.410 62.711 62.300 0.001 0.000 1.120 165 V CB -0.112 31.715 31.823 0.006 0.000 1.051 165 V HN 0.683 nan 8.190 nan 0.000 0.495 166 S N 0.278 115.967 115.700 -0.018 0.000 2.500 166 S HA -0.073 4.403 4.470 0.011 0.000 0.239 166 S C 1.043 175.627 174.600 -0.027 0.000 0.989 166 S CA 1.542 59.725 58.200 -0.028 0.000 0.951 166 S CB -0.302 62.871 63.200 -0.045 0.000 0.759 166 S HN 0.582 nan 8.310 nan 0.000 0.523 167 N N 0.187 118.884 118.700 -0.006 0.000 2.703 167 N HA 0.447 5.193 4.740 0.011 0.000 0.283 167 N C -1.533 173.975 175.510 -0.002 0.000 1.851 167 N CA -0.235 52.810 53.050 -0.008 0.000 0.826 167 N CB 1.214 39.700 38.487 -0.003 0.000 1.239 167 N HN 0.118 nan 8.380 nan 0.000 0.495 168 V N 1.367 121.283 119.914 0.002 0.000 3.078 168 V HA 0.430 4.556 4.120 0.011 0.000 0.311 168 V C -0.140 175.972 176.094 0.030 0.000 1.138 168 V CA -0.663 61.614 62.300 -0.039 0.000 1.007 168 V CB 2.162 33.969 31.823 -0.026 0.000 1.045 168 V HN 0.654 nan 8.190 nan 0.000 0.432 169 H N 0.878 120.015 119.070 0.112 0.000 2.885 169 H HA 0.445 5.007 4.556 0.011 0.000 0.254 169 H C -0.744 174.695 175.328 0.185 0.000 1.185 169 H CA 0.012 56.155 56.048 0.158 0.000 1.029 169 H CB 1.004 30.913 29.762 0.244 0.000 1.743 169 H HN 0.747 nan 8.280 nan 0.000 0.632 170 D N 0.517 120.981 120.400 0.107 0.000 3.010 170 D HA -0.042 4.604 4.640 0.011 0.000 0.353 170 D C -0.578 175.778 176.300 0.092 0.000 1.415 170 D CA -0.229 53.876 54.000 0.173 0.000 0.864 170 D CB 0.028 40.999 40.800 0.284 0.000 1.445 170 D HN 0.048 nan 8.370 nan 0.000 0.516 171 D N -1.275 119.210 120.400 0.143 0.000 2.623 171 D HA 0.094 4.740 4.640 0.011 0.000 0.252 171 D C 0.667 176.982 176.300 0.025 0.000 1.294 171 D CA -0.264 53.806 54.000 0.117 0.000 0.824 171 D CB 0.222 41.135 40.800 0.188 0.000 1.070 171 D HN 0.524 nan 8.370 nan 0.000 0.487 172 E N 0.553 120.595 120.200 -0.263 0.000 2.118 172 E HA -0.133 4.224 4.350 0.011 0.000 0.195 172 E C 1.798 178.403 176.600 0.009 0.000 0.992 172 E CA 0.760 56.854 56.400 -0.511 0.000 0.804 172 E CB 0.153 29.642 29.700 -0.351 0.000 0.741 172 E HN 0.357 nan 8.360 nan 0.000 0.458 173 L N 0.739 121.949 121.223 -0.021 0.000 1.994 173 L HA -0.189 4.158 4.340 0.011 0.000 0.208 173 L C 2.645 179.527 176.870 0.020 0.000 1.071 173 L CA 1.014 55.801 54.840 -0.088 0.000 0.745 173 L CB -0.460 41.512 42.059 -0.145 0.000 0.892 173 L HN 0.057 nan 8.230 nan 0.000 0.431 174 E N -0.096 120.141 120.200 0.062 0.000 2.085 174 E HA -0.261 4.095 4.350 0.011 0.000 0.194 174 E C 2.033 178.725 176.600 0.153 0.000 0.994 174 E CA 1.409 57.866 56.400 0.096 0.000 0.801 174 E CB -0.400 29.367 29.700 0.111 0.000 0.743 174 E HN 0.336 nan 8.360 nan 0.000 0.453 175 F N 1.603 121.579 119.950 0.042 0.000 2.126 175 F HA -0.213 4.320 4.527 0.011 0.000 0.299 175 F C 2.348 178.187 175.800 0.065 0.000 1.096 175 F CA 1.746 59.800 58.000 0.089 0.000 1.255 175 F CB -0.324 38.782 39.000 0.177 0.000 0.997 175 F HN -0.031 nan 8.300 nan 0.000 0.479 176 T N 0.178 114.825 114.554 0.154 0.000 2.857 176 T HA -0.126 4.231 4.350 0.011 0.000 0.266 176 T C 2.022 176.719 174.700 -0.006 0.000 1.048 176 T CA 1.238 63.378 62.100 0.066 0.000 1.139 176 T CB -0.221 68.714 68.868 0.111 0.000 0.874 176 T HN 0.238 nan 8.240 nan 0.000 0.455 177 R N 0.832 121.333 120.500 0.002 0.000 2.105 177 R HA 0.002 4.349 4.340 0.011 0.000 0.239 177 R C 2.709 178.991 176.300 -0.030 0.000 1.135 177 R CA 1.185 57.282 56.100 -0.006 0.000 0.967 177 R CB -0.169 30.136 30.300 0.008 0.000 0.861 177 R HN 0.347 nan 8.270 nan 0.000 0.442 178 R N -0.372 120.089 120.500 -0.065 0.000 2.057 178 R HA -0.039 4.308 4.340 0.011 0.000 0.229 178 R C 2.467 178.678 176.300 -0.148 0.000 1.136 178 R CA 1.330 57.367 56.100 -0.106 0.000 0.952 178 R CB -0.550 29.665 30.300 -0.142 0.000 0.848 178 R HN 0.308 nan 8.270 nan 0.000 0.430 179 G N 0.882 109.540 108.800 -0.237 0.000 2.448 179 G HA2 -0.199 3.767 3.960 0.011 0.000 0.219 179 G HA3 -0.199 3.767 3.960 0.011 0.000 0.219 179 G C 1.262 176.112 174.900 -0.083 0.000 1.127 179 G CA 0.478 45.460 45.100 -0.197 0.000 0.766 179 G HN 0.156 nan 8.290 nan 0.000 0.552 180 L N 0.665 121.859 121.223 -0.050 0.000 2.599 180 L HA 0.092 4.438 4.340 0.011 0.000 0.230 180 L C 2.437 179.301 176.870 -0.011 0.000 1.141 180 L CA -0.365 54.468 54.840 -0.012 0.000 0.877 180 L CB 0.186 42.250 42.059 0.008 0.000 1.009 180 L HN 0.046 nan 8.230 nan 0.000 0.447 181 V N -0.627 119.272 119.914 -0.025 0.000 2.453 181 V HA -0.226 3.900 4.120 0.011 0.000 0.247 181 V C 2.465 178.548 176.094 -0.018 0.000 1.048 181 V CA 2.127 64.416 62.300 -0.018 0.000 1.049 181 V CB -0.415 31.394 31.823 -0.022 0.000 0.672 181 V HN 0.447 nan 8.190 nan 0.000 0.457 182 T N 0.360 114.901 114.554 -0.022 0.000 2.668 182 T HA -0.077 4.280 4.350 0.011 0.000 0.262 182 T C 0.008 174.704 174.700 -0.008 0.000 1.045 182 T CA 1.854 63.945 62.100 -0.016 0.000 1.152 182 T CB -1.185 67.673 68.868 -0.017 0.000 0.864 182 T HN 0.405 nan 8.240 nan 0.000 0.419 183 P HA -0.140 nan 4.420 nan 0.000 0.216 183 P C 1.483 178.785 177.300 0.004 0.000 1.154 183 P CA 1.295 64.402 63.100 0.012 0.000 0.865 183 P CB -0.060 31.655 31.700 0.026 0.000 0.789 184 R N -0.279 120.220 120.500 -0.003 0.000 2.075 184 R HA -0.113 4.234 4.340 0.011 0.000 0.230 184 R C 2.226 178.506 176.300 -0.033 0.000 1.140 184 R CA 2.210 58.300 56.100 -0.016 0.000 0.928 184 R CB -0.844 29.444 30.300 -0.019 0.000 0.834 184 R HN 0.027 nan 8.270 nan 0.000 0.429 185 M N 0.571 120.153 119.600 -0.030 0.000 2.089 185 M HA -0.205 4.282 4.480 0.011 0.000 0.257 185 M C 2.550 178.828 176.300 -0.036 0.000 1.071 185 M CA 2.039 57.318 55.300 -0.036 0.000 1.096 185 M CB -0.817 31.767 32.600 -0.028 0.000 1.330 185 M HN 0.437 nan 8.290 nan 0.000 0.403 186 A N 0.018 122.824 122.820 -0.024 0.000 1.908 186 A HA -0.218 4.109 4.320 0.011 0.000 0.218 186 A C 2.034 179.601 177.584 -0.029 0.000 1.181 186 A CA 2.227 54.253 52.037 -0.019 0.000 0.627 186 A CB -0.683 18.314 19.000 -0.006 0.000 0.818 186 A HN 0.481 nan 8.150 nan 0.000 0.445 187 E N -0.310 119.871 120.200 -0.033 0.000 2.072 187 E HA -0.076 4.280 4.350 0.011 0.000 0.190 187 E C 1.862 178.406 176.600 -0.094 0.000 0.982 187 E CA 1.275 57.647 56.400 -0.047 0.000 0.803 187 E CB -0.413 29.265 29.700 -0.036 0.000 0.755 187 E HN 0.217 nan 8.360 nan 0.000 0.453 188 V N 0.768 120.618 119.914 -0.107 0.000 2.255 188 V HA -0.276 3.851 4.120 0.011 0.000 0.247 188 V C 2.307 178.327 176.094 -0.123 0.000 1.051 188 V CA 2.003 64.212 62.300 -0.152 0.000 1.018 188 V CB -0.886 30.864 31.823 -0.122 0.000 0.641 188 V HN 0.457 nan 8.190 nan 0.000 0.445 189 A N -1.241 121.532 122.820 -0.079 0.000 2.121 189 A HA -0.159 4.167 4.320 0.011 0.000 0.218 189 A C 2.435 179.989 177.584 -0.050 0.000 1.154 189 A CA 1.887 53.890 52.037 -0.058 0.000 0.679 189 A CB -0.403 18.573 19.000 -0.040 0.000 0.795 189 A HN 0.514 nan 8.150 nan 0.000 0.458 190 S N -0.382 115.286 115.700 -0.054 0.000 2.492 190 S HA 0.030 4.506 4.470 0.011 0.000 0.218 190 S C 1.081 175.656 174.600 -0.041 0.000 1.016 190 S CA -0.162 58.017 58.200 -0.036 0.000 0.916 190 S CB -0.211 62.975 63.200 -0.023 0.000 0.791 190 S HN 0.719 nan 8.310 nan 0.000 0.513 191 R N 1.511 121.962 120.500 -0.081 0.000 2.438 191 R HA 0.303 4.649 4.340 0.011 0.000 0.287 191 R C -0.883 175.391 176.300 -0.043 0.000 1.077 191 R CA -0.405 55.646 56.100 -0.082 0.000 1.034 191 R CB 0.046 30.218 30.300 -0.214 0.000 0.993 191 R HN 0.023 nan 8.270 nan 0.000 0.459 192 D N 4.746 125.155 120.400 0.015 0.000 2.363 192 D HA 0.038 4.685 4.640 0.011 0.000 0.263 192 D C -1.275 175.072 176.300 0.077 0.000 1.258 192 D CA -2.117 51.907 54.000 0.040 0.000 0.907 192 D CB 1.186 42.019 40.800 0.054 0.000 1.107 192 D HN 0.410 nan 8.370 nan 0.000 0.495 193 P HA -0.184 nan 4.420 nan 0.000 0.221 193 P C 0.999 178.362 177.300 0.105 0.000 1.145 193 P CA 0.979 64.137 63.100 0.097 0.000 0.795 193 P CB 0.361 32.089 31.700 0.046 0.000 0.775 194 K N 0.013 120.451 120.400 0.064 0.000 2.128 194 K HA 0.055 4.381 4.320 0.011 0.000 0.202 194 K C 2.214 178.829 176.600 0.025 0.000 1.050 194 K CA 0.381 56.683 56.287 0.026 0.000 0.966 194 K CB -0.274 32.232 32.500 0.010 0.000 0.759 194 K HN 0.070 nan 8.250 nan 0.000 0.454 195 L N 0.401 121.665 121.223 0.068 0.000 2.313 195 L HA -0.087 4.260 4.340 0.011 0.000 0.214 195 L C 2.221 179.172 176.870 0.136 0.000 1.119 195 L CA 0.519 55.408 54.840 0.081 0.000 0.809 195 L CB -0.253 41.864 42.059 0.098 0.000 0.933 195 L HN 0.238 nan 8.230 nan 0.000 0.449 196 Y N 0.579 120.897 120.300 0.029 0.000 2.263 196 Y HA -0.139 4.417 4.550 0.011 0.000 0.292 196 Y C 2.392 178.329 175.900 0.061 0.000 1.130 196 Y CA 0.948 59.079 58.100 0.051 0.000 1.179 196 Y CB -0.165 38.315 38.460 0.033 0.000 0.998 196 Y HN 0.085 nan 8.280 nan 0.000 0.532 197 A N -0.146 122.664 122.820 -0.017 0.000 1.968 197 A HA -0.098 4.229 4.320 0.011 0.000 0.217 197 A C 2.075 179.570 177.584 -0.147 0.000 1.169 197 A CA 1.684 53.645 52.037 -0.127 0.000 0.638 197 A CB -0.547 18.408 19.000 -0.075 0.000 0.812 197 A HN 0.521 nan 8.150 nan 0.000 0.446 198 M N 0.435 119.913 119.600 -0.202 0.000 2.383 198 M HA 0.071 4.558 4.480 0.011 0.000 0.247 198 M C 0.001 176.099 176.300 -0.336 0.000 1.117 198 M CA -0.037 54.996 55.300 -0.445 0.000 0.995 198 M CB -0.057 32.207 32.600 -0.560 0.000 1.480 198 M HN 0.728 nan 8.290 nan 0.000 0.485 199 H N -0.779 118.272 119.070 -0.031 0.000 1.971 199 H HA -0.110 4.453 4.556 0.011 0.000 0.331 199 H C -2.511 172.924 175.328 0.178 0.000 0.894 199 H CA -0.403 55.676 56.048 0.052 0.000 1.087 199 H CB -2.098 27.657 29.762 -0.011 0.000 1.573 199 H HN 0.156 nan 8.280 nan 0.000 0.330 200 P HA -0.101 nan 4.420 nan 0.000 0.263 200 P C 0.005 177.553 177.300 0.413 0.000 1.175 200 P CA 0.337 63.622 63.100 0.309 0.000 0.761 200 P CB 0.284 32.159 31.700 0.292 0.000 0.794 201 W N 6.229 127.686 121.300 0.261 0.000 2.296 201 W HA 0.483 5.149 4.660 0.010 0.000 0.316 201 W C -1.677 174.933 176.519 0.151 0.000 1.022 201 W CA -0.592 56.878 57.345 0.209 0.000 1.324 201 W CB 0.421 30.023 29.460 0.235 0.000 1.227 201 W HN 0.078 nan 8.180 nan 0.000 0.409 202 V N 3.904 123.981 119.914 0.271 0.000 3.156 202 V HA 0.782 4.908 4.120 0.011 0.000 0.311 202 V C -0.371 175.743 176.094 0.032 0.000 1.208 202 V CA -0.929 61.330 62.300 -0.068 0.000 1.063 202 V CB 1.985 33.641 31.823 -0.279 0.000 1.098 202 V HN 0.361 nan 8.190 nan 0.000 0.452 203 T N -1.051 113.466 114.554 -0.060 0.000 2.982 203 T HA 0.335 4.692 4.350 0.011 0.000 0.321 203 T C 0.200 174.878 174.700 -0.037 0.000 1.229 203 T CA 0.000 62.099 62.100 -0.003 0.000 1.044 203 T CB 1.899 70.768 68.868 0.002 0.000 1.184 203 T HN 0.533 nan 8.240 nan 0.000 0.477 204 S N 2.045 117.742 115.700 -0.006 0.000 2.575 204 S HA 0.204 4.681 4.470 0.011 0.000 0.215 204 S C 0.678 175.274 174.600 -0.007 0.000 0.966 204 S CA -0.058 58.136 58.200 -0.011 0.000 0.911 204 S CB -0.062 63.141 63.200 0.005 0.000 0.780 204 S HN 0.568 nan 8.310 nan 0.000 0.514 205 K N 2.750 123.147 120.400 -0.007 0.000 2.319 205 K HA 0.170 4.497 4.320 0.011 0.000 0.265 205 K C -2.449 174.141 176.600 -0.016 0.000 1.000 205 K CA -1.331 54.952 56.287 -0.007 0.000 0.943 205 K CB -0.006 32.489 32.500 -0.008 0.000 0.950 205 K HN 0.094 nan 8.250 nan 0.000 0.485 206 P HA 0.032 nan 4.420 nan 0.000 0.274 206 P C -0.422 176.862 177.300 -0.027 0.000 1.231 206 P CA -0.288 62.825 63.100 0.021 0.000 0.790 206 P CB 0.633 32.364 31.700 0.052 0.000 0.951 207 L N 4.025 125.225 121.223 -0.040 0.000 2.462 207 L HA 0.131 4.477 4.340 0.011 0.000 0.272 207 L C -1.550 175.207 176.870 -0.189 0.000 1.166 207 L CA -1.496 53.194 54.840 -0.251 0.000 0.880 207 L CB 0.482 42.152 42.059 -0.647 0.000 1.142 207 L HN 0.283 nan 8.230 nan 0.000 0.473 208 P HA 0.007 nan 4.420 nan 0.000 0.269 208 P C 0.187 177.283 177.300 -0.340 0.000 1.215 208 P CA -0.203 62.639 63.100 -0.430 0.000 0.780 208 P CB 0.827 31.962 31.700 -0.942 0.000 0.898 209 E N 0.923 121.062 120.200 -0.102 0.000 2.097 209 E HA -0.240 4.117 4.350 0.011 0.000 0.196 209 E C 1.617 178.257 176.600 0.066 0.000 1.000 209 E CA 1.743 58.197 56.400 0.090 0.000 0.804 209 E CB -0.708 29.053 29.700 0.102 0.000 0.740 209 E HN 0.640 nan 8.360 nan 0.000 0.454 210 Y N -1.113 119.227 120.300 0.065 0.000 2.680 210 Y HA 0.026 4.583 4.550 0.010 0.000 0.303 210 Y C 1.480 177.367 175.900 -0.021 0.000 1.166 210 Y CA 0.407 58.516 58.100 0.015 0.000 1.344 210 Y CB -0.246 38.202 38.460 -0.020 0.000 1.002 210 Y HN -0.005 nan 8.280 nan 0.000 0.537 211 L N -2.201 118.923 121.223 -0.165 0.000 2.470 211 L HA 0.079 4.426 4.340 0.011 0.000 0.219 211 L C 1.570 178.344 176.870 -0.160 0.000 1.071 211 L CA 0.253 54.985 54.840 -0.181 0.000 0.850 211 L CB -0.290 41.544 42.059 -0.376 0.000 1.040 211 L HN 0.318 nan 8.230 nan 0.000 0.475 212 W N 1.676 122.926 121.300 -0.082 0.000 2.425 212 W HA -0.168 4.498 4.660 0.010 0.000 0.277 212 W C 2.638 179.141 176.519 -0.027 0.000 1.231 212 W CA 0.686 57.998 57.345 -0.055 0.000 1.248 212 W CB 0.080 29.505 29.460 -0.058 0.000 1.117 212 W HN 0.036 nan 8.180 nan 0.000 0.568 213 K N 2.020 122.546 120.400 0.209 0.000 2.160 213 K HA -0.256 4.070 4.320 0.011 0.000 0.206 213 K C 1.620 178.279 176.600 0.099 0.000 1.047 213 K CA 1.954 58.321 56.287 0.134 0.000 0.930 213 K CB -0.661 31.903 32.500 0.107 0.000 0.720 213 K HN 0.231 nan 8.250 nan 0.000 0.450 214 K N 0.644 121.086 120.400 0.070 0.000 2.007 214 K HA 0.041 4.368 4.320 0.011 0.000 0.206 214 K C 1.013 177.652 176.600 0.066 0.000 1.047 214 K CA 0.845 57.158 56.287 0.044 0.000 0.937 214 K CB -0.019 32.480 32.500 -0.003 0.000 0.718 214 K HN 0.162 nan 8.250 nan 0.000 0.438 215 I N 2.182 122.792 120.570 0.066 0.000 2.382 215 I HA 0.018 4.194 4.170 0.011 0.000 0.297 215 I C 0.297 176.510 176.117 0.159 0.000 1.172 215 I CA -0.265 61.089 61.300 0.090 0.000 1.825 215 I CB 0.562 38.606 38.000 0.073 0.000 1.509 215 I HN 0.215 nan 8.210 nan 0.000 0.842 216 A N 4.718 127.607 122.820 0.116 0.000 2.411 216 A HA 0.098 4.424 4.320 0.011 0.000 0.251 216 A C 1.074 178.704 177.584 0.077 0.000 1.317 216 A CA -0.077 52.020 52.037 0.100 0.000 0.904 216 A CB -0.497 18.552 19.000 0.082 0.000 0.993 216 A HN 0.768 nan 8.150 nan 0.000 0.504 217 N N -1.040 117.705 118.700 0.074 0.000 2.142 217 N HA -0.037 4.709 4.740 0.011 0.000 0.233 217 N C 0.135 175.660 175.510 0.024 0.000 1.335 217 N CA 0.204 53.283 53.050 0.048 0.000 0.837 217 N CB -0.597 37.929 38.487 0.064 0.000 1.238 217 N HN 0.294 nan 8.380 nan 0.000 0.501 218 N N 0.120 118.853 118.700 0.055 0.000 2.708 218 N HA -0.212 4.534 4.740 0.011 0.000 0.251 218 N C -1.163 174.343 175.510 -0.007 0.000 1.123 218 N CA 0.911 54.000 53.050 0.064 0.000 0.739 218 N CB -1.542 36.966 38.487 0.034 0.000 1.113 218 N HN 0.565 nan 8.380 nan 0.000 0.561 219 C N 0.838 120.081 119.300 -0.094 0.000 2.498 219 C HA 0.781 5.248 4.460 0.011 0.000 0.316 219 C C -0.042 174.671 174.990 -0.463 0.000 1.209 219 C CA -0.829 58.028 59.018 -0.268 0.000 1.518 219 C CB 1.078 28.626 27.740 -0.320 0.000 2.147 219 C HN 0.249 nan 8.230 nan 0.000 0.483 220 I N 4.604 124.892 120.570 -0.470 0.000 2.474 220 I HA 0.469 4.645 4.170 0.011 0.000 0.294 220 I C -0.903 174.903 176.117 -0.519 0.000 1.005 220 I CA -0.370 60.673 61.300 -0.428 0.000 1.113 220 I CB 1.632 39.521 38.000 -0.185 0.000 1.289 220 I HN 0.546 nan 8.210 nan 0.000 0.436 221 F N 6.402 126.339 119.950 -0.021 0.000 2.404 221 F HA 0.546 5.080 4.527 0.011 0.000 0.354 221 F C 0.023 175.786 175.800 -0.061 0.000 1.122 221 F CA -0.557 57.425 58.000 -0.031 0.000 1.080 221 F CB 1.003 39.983 39.000 -0.033 0.000 1.131 221 F HN 0.113 nan 8.300 nan 0.000 0.471 222 I N 4.137 124.766 120.570 0.098 0.000 2.439 222 I HA 0.288 4.464 4.170 0.011 0.000 0.285 222 I C -0.876 175.240 176.117 -0.002 0.000 1.021 222 I CA -0.986 60.317 61.300 0.005 0.000 1.091 222 I CB 1.807 39.793 38.000 -0.023 0.000 1.242 222 I HN 0.206 nan 8.210 nan 0.000 0.439 223 V N 7.350 127.216 119.914 -0.079 0.000 2.405 223 V HA 0.244 4.370 4.120 0.011 0.000 0.264 223 V C 0.385 176.547 176.094 0.112 0.000 1.048 223 V CA -0.071 62.233 62.300 0.008 0.000 0.966 223 V CB 0.351 32.151 31.823 -0.039 0.000 1.015 223 V HN 0.481 nan 8.190 nan 0.000 0.477 224 I N 5.676 126.291 120.570 0.075 0.000 2.287 224 I HA 0.323 4.499 4.170 0.011 0.000 0.290 224 I C 0.364 176.544 176.117 0.105 0.000 1.069 224 I CA -0.460 60.819 61.300 -0.036 0.000 1.237 224 I CB 0.264 38.010 38.000 -0.424 0.000 1.418 224 I HN 0.613 nan 8.210 nan 0.000 0.481 225 H N 5.070 124.086 119.070 -0.090 0.000 2.581 225 H HA 0.438 5.000 4.556 0.011 0.000 0.369 225 H C 0.756 176.025 175.328 -0.099 0.000 1.351 225 H CA -0.328 55.687 56.048 -0.055 0.000 1.434 225 H CB 0.989 30.726 29.762 -0.041 0.000 1.558 225 H HN 0.423 nan 8.280 nan 0.000 0.608 226 R N -0.646 119.890 120.500 0.061 0.000 5.072 226 R HA 0.148 4.494 4.340 0.011 0.000 0.116 226 R C 1.367 177.656 176.300 -0.018 0.000 1.152 226 R CA 0.854 56.941 56.100 -0.021 0.000 0.887 226 R CB -0.106 30.190 30.300 -0.007 0.000 1.367 226 R HN 0.529 nan 8.270 nan 0.000 0.403 227 S N -1.332 114.365 115.700 -0.005 0.000 3.171 227 S HA 0.075 4.551 4.470 0.011 0.000 0.258 227 S C 0.925 175.524 174.600 -0.001 0.000 1.083 227 S CA 1.091 59.288 58.200 -0.004 0.000 0.801 227 S CB 0.344 63.542 63.200 -0.005 0.000 0.831 227 S HN 0.548 nan 8.310 nan 0.000 0.462 228 T N -2.585 111.960 114.554 -0.014 0.000 3.151 228 T HA 0.257 4.613 4.350 0.011 0.000 0.257 228 T C 0.219 174.884 174.700 -0.057 0.000 0.872 228 T CA 0.026 62.111 62.100 -0.026 0.000 0.873 228 T CB 0.191 69.047 68.868 -0.019 0.000 1.272 228 T HN 0.128 nan 8.240 nan 0.000 0.543 229 T N 3.958 118.482 114.554 -0.051 0.000 2.743 229 T HA 0.623 4.979 4.350 0.011 0.000 0.293 229 T C -0.005 174.642 174.700 -0.089 0.000 0.945 229 T CA -0.295 61.767 62.100 -0.063 0.000 1.030 229 T CB 1.002 69.849 68.868 -0.035 0.000 0.912 229 T HN 0.620 nan 8.240 nan 0.000 0.483 230 S N 3.745 119.351 115.700 -0.156 0.000 2.608 230 S HA 0.723 5.200 4.470 0.011 0.000 0.291 230 S C -0.697 173.874 174.600 -0.048 0.000 1.146 230 S CA -0.967 57.111 58.200 -0.202 0.000 1.043 230 S CB 1.902 64.812 63.200 -0.484 0.000 1.037 230 S HN 0.548 nan 8.310 nan 0.000 0.520 231 Q N 0.817 120.644 119.800 0.044 0.000 2.274 231 Q HA 0.453 4.799 4.340 0.011 0.000 0.268 231 Q C -1.362 174.716 176.000 0.129 0.000 1.015 231 Q CA -0.114 55.752 55.803 0.105 0.000 0.775 231 Q CB 1.969 30.832 28.738 0.209 0.000 1.256 231 Q HN 0.791 nan 8.270 nan 0.000 0.442 232 T N 4.626 119.236 114.554 0.092 0.000 2.780 232 T HA 0.570 4.927 4.350 0.011 0.000 0.294 232 T C -0.437 174.351 174.700 0.147 0.000 0.949 232 T CA -0.053 62.108 62.100 0.102 0.000 1.074 232 T CB 0.072 68.979 68.868 0.064 0.000 0.910 232 T HN 0.418 nan 8.240 nan 0.000 0.501 233 I N 3.359 124.027 120.570 0.163 0.000 2.509 233 I HA 0.366 4.543 4.170 0.011 0.000 0.293 233 I C 0.223 176.432 176.117 0.153 0.000 1.020 233 I CA -0.709 60.692 61.300 0.168 0.000 1.088 233 I CB 1.757 39.871 38.000 0.190 0.000 1.267 233 I HN 0.374 nan 8.210 nan 0.000 0.430 234 K N 4.122 124.603 120.400 0.135 0.000 2.174 234 K HA 0.788 5.115 4.320 0.011 0.000 0.275 234 K C -1.076 175.507 176.600 -0.028 0.000 1.015 234 K CA -0.580 55.717 56.287 0.017 0.000 0.933 234 K CB 1.591 34.111 32.500 0.033 0.000 1.025 234 K HN 0.319 nan 8.250 nan 0.000 0.463 235 V N 1.233 121.083 119.914 -0.107 0.000 3.012 235 V HA 0.203 4.329 4.120 0.011 0.000 0.307 235 V C -0.536 175.513 176.094 -0.074 0.000 1.166 235 V CA -1.024 61.245 62.300 -0.052 0.000 0.974 235 V CB 2.186 33.997 31.823 -0.020 0.000 1.040 235 V HN 0.962 nan 8.190 nan 0.000 0.428 236 S N 3.300 118.986 115.700 -0.025 0.000 2.586 236 S HA 0.419 4.896 4.470 0.011 0.000 0.274 236 S C -1.873 172.738 174.600 0.019 0.000 1.281 236 S CA -1.114 57.083 58.200 -0.005 0.000 1.035 236 S CB 1.455 64.667 63.200 0.019 0.000 0.962 236 S HN 0.538 nan 8.310 nan 0.000 0.512 237 P HA -0.129 nan 4.420 nan 0.000 0.219 237 P C 0.255 177.596 177.300 0.069 0.000 1.144 237 P CA 1.335 64.466 63.100 0.052 0.000 0.806 237 P CB -0.008 31.785 31.700 0.155 0.000 0.771 238 D N -2.068 118.379 120.400 0.078 0.000 2.363 238 D HA 0.055 4.701 4.640 0.011 0.000 0.214 238 D C 0.184 176.524 176.300 0.066 0.000 1.093 238 D CA 0.138 54.181 54.000 0.073 0.000 0.837 238 D CB 0.162 41.005 40.800 0.072 0.000 0.948 238 D HN 0.232 nan 8.370 nan 0.000 0.507 239 D N 1.247 121.686 120.400 0.065 0.000 2.371 239 D HA 0.138 4.784 4.640 0.011 0.000 0.242 239 D C 0.429 176.786 176.300 0.095 0.000 1.218 239 D CA 0.537 54.579 54.000 0.069 0.000 0.945 239 D CB 1.130 41.965 40.800 0.058 0.000 1.137 239 D HN -0.205 nan 8.370 nan 0.000 0.464 240 T N 0.836 115.446 114.554 0.095 0.000 2.855 240 T HA 0.266 4.623 4.350 0.011 0.000 0.281 240 T C -1.688 173.076 174.700 0.107 0.000 1.007 240 T CA -1.445 60.728 62.100 0.122 0.000 1.009 240 T CB 1.998 70.927 68.868 0.102 0.000 0.983 240 T HN 0.044 nan 8.240 nan 0.000 0.455 241 P HA -0.087 nan 4.420 nan 0.000 0.217 241 P C 1.546 178.886 177.300 0.067 0.000 1.148 241 P CA 0.819 63.948 63.100 0.048 0.000 0.828 241 P CB 0.085 31.787 31.700 0.002 0.000 0.783 242 G N -0.120 108.730 108.800 0.084 0.000 2.394 242 G HA2 -0.195 3.771 3.960 0.011 0.000 0.214 242 G HA3 -0.195 3.771 3.960 0.011 0.000 0.214 242 G C 1.642 176.593 174.900 0.086 0.000 1.176 242 G CA 0.832 45.980 45.100 0.080 0.000 0.786 242 G HN 0.292 nan 8.290 nan 0.000 0.533 243 A N 0.936 123.805 122.820 0.081 0.000 1.883 243 A HA -0.011 4.315 4.320 0.011 0.000 0.217 243 A C 2.408 180.057 177.584 0.108 0.000 1.186 243 A CA 1.430 53.516 52.037 0.082 0.000 0.624 243 A CB -0.445 18.598 19.000 0.071 0.000 0.822 243 A HN 0.373 nan 8.150 nan 0.000 0.444 244 I N -0.545 120.086 120.570 0.101 0.000 2.208 244 I HA -0.273 3.903 4.170 0.011 0.000 0.245 244 I C 2.483 178.708 176.117 0.180 0.000 1.097 244 I CA 1.063 62.430 61.300 0.112 0.000 1.363 244 I CB -0.348 37.687 38.000 0.059 0.000 1.051 244 I HN 0.330 nan 8.210 nan 0.000 0.413 245 L N 0.127 121.457 121.223 0.177 0.000 1.989 245 L HA -0.294 4.053 4.340 0.011 0.000 0.211 245 L C 2.771 179.927 176.870 0.477 0.000 1.071 245 L CA 1.741 56.763 54.840 0.303 0.000 0.749 245 L CB -0.498 41.701 42.059 0.233 0.000 0.890 245 L HN 0.318 nan 8.230 nan 0.000 0.431 246 Q N -0.550 119.406 119.800 0.260 0.000 2.061 246 Q HA -0.200 4.146 4.340 0.011 0.000 0.204 246 Q C 2.104 178.273 176.000 0.282 0.000 0.984 246 Q CA 1.940 57.864 55.803 0.201 0.000 0.846 246 Q CB -0.240 28.545 28.738 0.079 0.000 0.902 246 Q HN 0.588 nan 8.270 nan 0.000 0.421 247 S N -0.264 115.575 115.700 0.231 0.000 2.584 247 S HA -0.102 4.375 4.470 0.011 0.000 0.240 247 S C 1.251 176.012 174.600 0.269 0.000 0.975 247 S CA 0.407 58.726 58.200 0.198 0.000 0.949 247 S CB -0.232 63.056 63.200 0.147 0.000 0.761 247 S HN 0.373 nan 8.310 nan 0.000 0.536 248 F N 1.286 121.361 119.950 0.208 0.000 2.383 248 F HA 0.384 4.917 4.527 0.011 0.000 0.287 248 F C 1.124 176.984 175.800 0.101 0.000 1.069 248 F CA -0.394 57.684 58.000 0.131 0.000 1.402 248 F CB -0.135 38.925 39.000 0.101 0.000 1.116 248 F HN 0.165 nan 8.300 nan 0.000 0.549 249 F N 0.423 120.358 119.950 -0.025 0.000 2.748 249 F HA 0.014 4.548 4.527 0.011 0.000 0.299 249 F C 2.235 177.972 175.800 -0.105 0.000 1.154 249 F CA 0.984 58.911 58.000 -0.122 0.000 1.446 249 F CB -1.413 37.607 39.000 0.034 0.000 1.112 249 F HN -0.125 nan 8.300 nan 0.000 0.584 250 T N -0.982 113.637 114.554 0.109 0.000 3.055 250 T HA -0.105 4.252 4.350 0.011 0.000 0.265 250 T C 1.983 176.676 174.700 -0.013 0.000 1.111 250 T CA 0.790 62.924 62.100 0.056 0.000 1.118 250 T CB 0.004 68.915 68.868 0.072 0.000 0.909 250 T HN 0.215 nan 8.240 nan 0.000 0.501 251 K N 0.943 121.289 120.400 -0.091 0.000 2.323 251 K HA 0.134 4.461 4.320 0.011 0.000 0.197 251 K C 0.551 177.061 176.600 -0.150 0.000 1.043 251 K CA 0.515 56.733 56.287 -0.114 0.000 0.997 251 K CB 0.344 32.762 32.500 -0.137 0.000 0.807 251 K HN 0.241 nan 8.250 nan 0.000 0.497 252 M N -1.169 118.302 119.600 -0.215 0.000 2.297 252 M HA 0.369 4.855 4.480 0.011 0.000 0.241 252 M C -0.416 175.804 176.300 -0.134 0.000 1.106 252 M CA -0.217 54.974 55.300 -0.183 0.000 0.809 252 M CB 0.712 33.164 32.600 -0.247 0.000 2.236 252 M HN -0.100 nan 8.290 nan 0.000 0.362 253 A N 1.603 124.400 122.820 -0.039 0.000 2.168 253 A HA 0.171 4.498 4.320 0.011 0.000 0.215 253 A C 0.818 178.414 177.584 0.020 0.000 1.152 253 A CA 1.047 53.105 52.037 0.035 0.000 0.716 253 A CB 0.265 19.296 19.000 0.051 0.000 0.794 253 A HN 0.743 nan 8.150 nan 0.000 0.465 270 F N 0.848 120.837 119.950 0.066 0.000 2.557 270 F HA 0.679 5.212 4.527 0.011 0.000 0.336 270 F C 0.041 175.881 175.800 0.067 0.000 1.058 270 F CA -0.971 57.083 58.000 0.091 0.000 0.988 270 F CB 2.580 41.687 39.000 0.178 0.000 1.275 270 F HN -0.354 nan 8.300 nan 0.000 0.488 271 V N 1.749 121.831 119.914 0.281 0.000 3.178 271 V HA 0.306 4.432 4.120 0.011 0.000 0.302 271 V C -1.006 175.122 176.094 0.057 0.000 1.262 271 V CA -0.929 61.460 62.300 0.149 0.000 1.030 271 V CB 2.817 34.725 31.823 0.143 0.000 1.074 271 V HN 0.452 nan 8.190 nan 0.000 0.438 272 L N 3.657 124.880 121.223 0.000 0.000 2.265 272 L HA 0.620 4.967 4.340 0.011 0.000 0.288 272 L C 0.065 176.850 176.870 -0.141 0.000 1.058 272 L CA -0.160 54.614 54.840 -0.109 0.000 0.809 272 L CB 0.936 42.900 42.059 -0.158 0.000 1.179 272 L HN 0.548 nan 8.230 nan 0.000 0.429 273 R N 2.759 123.117 120.500 -0.237 0.000 2.480 273 R HA 0.449 4.795 4.340 0.011 0.000 0.306 273 R C -1.037 175.000 176.300 -0.439 0.000 0.958 273 R CA -0.716 55.123 56.100 -0.435 0.000 0.861 273 R CB 1.903 31.901 30.300 -0.502 0.000 1.171 273 R HN 0.377 nan 8.270 nan 0.000 0.445 274 V N 4.931 124.523 119.914 -0.537 0.000 2.509 274 V HA -0.080 4.046 4.120 0.011 0.000 0.297 274 V C 0.489 176.295 176.094 -0.482 0.000 1.014 274 V CA -0.129 61.829 62.300 -0.569 0.000 1.127 274 V CB 0.036 31.249 31.823 -1.017 0.000 0.925 274 V HN 0.856 nan 8.190 nan 0.000 0.480 275 C N 5.478 124.564 119.300 -0.357 0.000 2.437 275 C HA 0.300 4.766 4.460 0.011 0.000 0.399 275 C C 1.705 176.528 174.990 -0.278 0.000 1.478 275 C CA 0.744 59.577 59.018 -0.309 0.000 1.538 275 C CB -1.389 26.164 27.740 -0.311 0.000 2.506 275 C HN 1.435 nan 8.230 nan 0.000 0.603 276 G N 3.490 112.142 108.800 -0.247 0.000 2.225 276 G HA2 -0.261 3.706 3.960 0.011 0.000 0.267 276 G HA3 -0.261 3.706 3.960 0.011 0.000 0.267 276 G C -0.092 174.656 174.900 -0.254 0.000 1.024 276 G CA 0.651 45.626 45.100 -0.209 0.000 0.784 276 G HN 0.882 nan 8.290 nan 0.000 0.507 277 R N -0.708 119.588 120.500 -0.341 0.000 2.584 277 R HA 0.336 4.683 4.340 0.011 0.000 0.276 277 R C -1.169 174.888 176.300 -0.404 0.000 1.046 277 R CA -0.848 55.023 56.100 -0.381 0.000 0.906 277 R CB 0.993 30.959 30.300 -0.556 0.000 1.215 277 R HN 0.047 nan 8.270 nan 0.000 0.449 278 D N 2.378 122.601 120.400 -0.295 0.000 2.885 278 D HA 0.025 4.672 4.640 0.011 0.000 0.234 278 D C -0.936 175.241 176.300 -0.205 0.000 1.129 278 D CA 0.296 54.154 54.000 -0.237 0.000 0.991 278 D CB 0.228 40.981 40.800 -0.078 0.000 1.137 278 D HN 0.273 nan 8.370 nan 0.000 0.459 279 E N 0.844 120.755 120.200 -0.481 0.000 2.224 279 E HA 0.302 4.658 4.350 0.011 0.000 0.265 279 E C -1.538 174.713 176.600 -0.581 0.000 0.878 279 E CA -0.678 55.505 56.400 -0.362 0.000 0.759 279 E CB 0.683 30.184 29.700 -0.332 0.000 1.164 279 E HN 0.082 nan 8.360 nan 0.000 0.414 280 Y N 2.850 122.991 120.300 -0.264 0.000 2.446 280 Y HA 0.471 5.028 4.550 0.011 0.000 0.338 280 Y C -0.375 175.398 175.900 -0.212 0.000 1.055 280 Y CA -1.161 56.800 58.100 -0.231 0.000 1.101 280 Y CB 1.118 39.452 38.460 -0.211 0.000 1.221 280 Y HN 0.345 nan 8.280 nan 0.000 0.460 281 L N 4.377 125.493 121.223 -0.178 0.000 2.426 281 L HA 0.449 4.795 4.340 0.011 0.000 0.255 281 L C -0.214 176.499 176.870 -0.262 0.000 1.080 281 L CA -0.573 53.905 54.840 -0.604 0.000 0.960 281 L CB -0.260 41.352 42.059 -0.747 0.000 1.326 281 L HN 0.525 nan 8.230 nan 0.000 0.441 282 V N -1.237 118.742 119.914 0.109 0.000 3.119 282 V HA 1.101 5.227 4.120 0.011 0.000 0.311 282 V C 0.290 176.585 176.094 0.336 0.000 1.259 282 V CA -0.478 61.940 62.300 0.196 0.000 1.067 282 V CB 1.314 33.201 31.823 0.107 0.000 1.123 282 V HN 0.795 nan 8.190 nan 0.000 0.463 283 G N 0.417 109.337 108.800 0.200 0.000 2.730 283 G HA2 -0.022 3.944 3.960 0.011 0.000 0.686 283 G HA3 -0.022 3.944 3.960 0.011 0.000 0.686 283 G C -0.658 174.333 174.900 0.151 0.000 1.343 283 G CA -0.179 45.015 45.100 0.157 0.000 0.826 283 G HN 1.125 nan 8.290 nan 0.000 0.582 284 E N 1.262 121.516 120.200 0.090 0.000 1.842 284 E HA 0.430 4.787 4.350 0.011 0.000 0.278 284 E C 0.304 176.930 176.600 0.043 0.000 1.171 284 E CA 0.475 56.916 56.400 0.070 0.000 1.127 284 E CB 0.041 29.769 29.700 0.047 0.000 1.100 284 E HN 0.595 nan 8.360 nan 0.000 0.456 285 T N 2.151 116.743 114.554 0.062 0.000 2.956 285 T HA 0.361 4.717 4.350 0.011 0.000 0.312 285 T C -2.709 172.027 174.700 0.060 0.000 1.151 285 T CA -1.541 60.538 62.100 -0.036 0.000 1.024 285 T CB 2.222 70.897 68.868 -0.321 0.000 1.140 285 T HN -0.011 nan 8.240 nan 0.000 0.473 286 P HA 0.176 nan 4.420 nan 0.000 0.271 286 P C 0.955 178.359 177.300 0.173 0.000 1.216 286 P CA -0.525 62.626 63.100 0.083 0.000 0.776 286 P CB 0.210 31.933 31.700 0.038 0.000 0.881 287 I N 2.594 123.314 120.570 0.249 0.000 2.700 287 I HA -0.225 3.951 4.170 0.011 0.000 0.261 287 I C 1.728 177.980 176.117 0.225 0.000 1.219 287 I CA 1.323 62.840 61.300 0.362 0.000 1.463 287 I CB -1.490 36.596 38.000 0.144 0.000 1.092 287 I HN 0.317 nan 8.210 nan 0.000 0.452 288 K N 0.685 121.125 120.400 0.068 0.000 2.283 288 K HA -0.035 4.292 4.320 0.011 0.000 0.202 288 K C 0.852 177.415 176.600 -0.062 0.000 1.048 288 K CA 1.238 57.490 56.287 -0.059 0.000 0.948 288 K CB -0.500 31.915 32.500 -0.141 0.000 0.742 288 K HN 0.288 nan 8.250 nan 0.000 0.458 289 N N 0.377 119.050 118.700 -0.045 0.000 2.313 289 N HA 0.115 4.862 4.740 0.011 0.000 0.207 289 N C -1.093 174.282 175.510 -0.225 0.000 1.141 289 N CA 0.114 53.075 53.050 -0.148 0.000 0.830 289 N CB 0.063 38.434 38.487 -0.195 0.000 1.008 289 N HN 0.096 nan 8.380 nan 0.000 0.481 290 F N 0.943 120.857 119.950 -0.060 0.000 2.410 290 F HA 0.228 4.761 4.527 0.011 0.000 0.349 290 F C 1.781 177.502 175.800 -0.132 0.000 1.117 290 F CA -0.712 57.257 58.000 -0.051 0.000 1.104 290 F CB 1.543 40.552 39.000 0.015 0.000 1.122 290 F HN -0.189 nan 8.300 nan 0.000 0.483 291 Q N 3.429 123.161 119.800 -0.114 0.000 2.133 291 Q HA -0.281 4.065 4.340 0.011 0.000 0.208 291 Q C 2.168 178.068 176.000 -0.167 0.000 0.991 291 Q CA 1.746 57.308 55.803 -0.401 0.000 0.867 291 Q CB -0.448 27.508 28.738 -1.304 0.000 0.911 291 Q HN 0.871 nan 8.270 nan 0.000 0.417 292 W N 0.482 121.692 121.300 -0.151 0.000 2.363 292 W HA -0.163 4.503 4.660 0.011 0.000 0.296 292 W C 1.736 178.270 176.519 0.024 0.000 1.212 292 W CA 1.360 58.681 57.345 -0.041 0.000 1.260 292 W CB 0.049 29.491 29.460 -0.030 0.000 1.131 292 W HN -0.033 nan 8.180 nan 0.000 0.530 293 V N 1.446 121.399 119.914 0.065 0.000 2.343 293 V HA -0.304 3.823 4.120 0.011 0.000 0.247 293 V C 2.527 178.529 176.094 -0.155 0.000 1.051 293 V CA 2.149 64.425 62.300 -0.039 0.000 1.036 293 V CB -0.870 30.977 31.823 0.040 0.000 0.654 293 V HN 0.131 nan 8.190 nan 0.000 0.451 294 R N -0.750 119.664 120.500 -0.143 0.000 2.092 294 R HA -0.173 4.173 4.340 0.011 0.000 0.231 294 R C 2.339 178.520 176.300 -0.198 0.000 1.119 294 R CA 1.712 57.707 56.100 -0.174 0.000 0.970 294 R CB -0.521 29.685 30.300 -0.157 0.000 0.864 294 R HN 0.740 nan 8.270 nan 0.000 0.440 295 H N 0.077 118.947 119.070 -0.335 0.000 2.321 295 H HA -0.122 4.441 4.556 0.011 0.000 0.300 295 H C 1.897 176.964 175.328 -0.434 0.000 1.087 295 H CA 2.028 57.833 56.048 -0.404 0.000 1.319 295 H CB -0.327 29.080 29.762 -0.592 0.000 1.379 295 H HN 0.130 nan 8.280 nan 0.000 0.501 296 C N 0.269 119.151 119.300 -0.697 0.000 2.453 296 C HA -0.048 4.418 4.460 0.011 0.000 0.277 296 C C 2.987 177.765 174.990 -0.353 0.000 1.262 296 C CA 0.852 59.524 59.018 -0.576 0.000 1.718 296 C CB -1.142 26.368 27.740 -0.383 0.000 2.031 296 C HN 0.588 nan 8.230 nan 0.000 0.480 297 L N 0.820 121.885 121.223 -0.263 0.000 2.079 297 L HA -0.201 4.145 4.340 0.011 0.000 0.210 297 L C 2.777 179.551 176.870 -0.160 0.000 1.081 297 L CA 1.540 56.272 54.840 -0.180 0.000 0.752 297 L CB -0.667 41.284 42.059 -0.180 0.000 0.896 297 L HN 0.412 nan 8.230 nan 0.000 0.433 298 K N -0.014 120.272 120.400 -0.190 0.000 2.217 298 K HA -0.084 4.242 4.320 0.011 0.000 0.202 298 K C 0.963 177.457 176.600 -0.176 0.000 1.051 298 K CA 0.905 57.114 56.287 -0.131 0.000 0.952 298 K CB 0.158 32.597 32.500 -0.102 0.000 0.736 298 K HN 0.389 nan 8.250 nan 0.000 0.453 299 N N 0.143 118.677 118.700 -0.277 0.000 2.275 299 N HA 0.034 4.780 4.740 0.011 0.000 0.236 299 N C 0.002 175.404 175.510 -0.180 0.000 1.154 299 N CA 0.468 53.371 53.050 -0.244 0.000 0.866 299 N CB 1.141 39.409 38.487 -0.364 0.000 1.093 299 N HN 0.282 nan 8.380 nan 0.000 0.515 300 G N 1.656 110.369 108.800 -0.146 0.000 2.379 300 G HA2 -0.295 3.672 3.960 0.011 0.000 0.297 300 G HA3 -0.295 3.672 3.960 0.011 0.000 0.297 300 G C -0.068 174.788 174.900 -0.073 0.000 1.004 300 G CA 0.672 45.719 45.100 -0.087 0.000 0.921 300 G HN 0.439 nan 8.290 nan 0.000 0.511 301 E N -0.115 120.014 120.200 -0.118 0.000 2.222 301 E HA 0.401 4.757 4.350 0.011 0.000 0.272 301 E C 0.422 177.013 176.600 -0.015 0.000 0.982 301 E CA -0.727 55.640 56.400 -0.056 0.000 0.842 301 E CB 1.038 30.684 29.700 -0.090 0.000 1.144 301 E HN 0.570 nan 8.360 nan 0.000 0.397 302 E N 1.499 121.745 120.200 0.076 0.000 2.374 302 E HA 0.170 4.527 4.350 0.011 0.000 0.260 302 E C -0.211 176.415 176.600 0.043 0.000 1.101 302 E CA -0.084 56.339 56.400 0.040 0.000 0.907 302 E CB 0.864 30.593 29.700 0.048 0.000 1.014 302 E HN 0.346 nan 8.360 nan 0.000 0.427 303 I N 3.025 123.559 120.570 -0.059 0.000 2.276 303 I HA 0.109 4.285 4.170 0.011 0.000 0.290 303 I C -0.560 175.503 176.117 -0.090 0.000 1.109 303 I CA -0.307 61.012 61.300 0.031 0.000 1.229 303 I CB -0.189 37.829 38.000 0.031 0.000 1.452 303 I HN 0.327 nan 8.210 nan 0.000 0.497 304 H N 4.385 123.517 119.070 0.103 0.000 2.552 304 H HA 0.544 5.107 4.556 0.011 0.000 0.311 304 H C -0.506 174.721 175.328 -0.168 0.000 1.071 304 H CA -0.348 55.676 56.048 -0.040 0.000 1.307 304 H CB 1.462 31.158 29.762 -0.109 0.000 1.416 304 H HN 0.207 nan 8.280 nan 0.000 0.464 305 V N 3.994 123.832 119.914 -0.128 0.000 2.841 305 V HA 0.238 4.364 4.120 0.011 0.000 0.310 305 V C -0.676 175.279 176.094 -0.233 0.000 1.090 305 V CA -0.904 61.270 62.300 -0.210 0.000 0.930 305 V CB 2.720 34.427 31.823 -0.192 0.000 1.014 305 V HN 0.523 nan 8.190 nan 0.000 0.425 306 V N 5.584 125.343 119.914 -0.257 0.000 2.612 306 V HA 0.614 4.740 4.120 0.011 0.000 0.301 306 V C -0.580 175.373 176.094 -0.234 0.000 1.046 306 V CA -0.583 61.588 62.300 -0.215 0.000 0.946 306 V CB 1.662 33.365 31.823 -0.200 0.000 1.003 306 V HN 0.751 nan 8.190 nan 0.000 0.459 307 L N 7.660 128.720 121.223 -0.272 0.000 2.270 307 L HA 0.594 4.940 4.340 0.011 0.000 0.286 307 L C -0.411 176.198 176.870 -0.435 0.000 1.059 307 L CA 0.277 54.896 54.840 -0.367 0.000 0.839 307 L CB 0.259 42.029 42.059 -0.481 0.000 1.221 307 L HN 0.932 nan 8.230 nan 0.000 0.431 308 D N 1.710 121.958 120.400 -0.254 0.000 2.781 308 D HA 0.428 5.075 4.640 0.011 0.000 0.295 308 D C -0.773 175.628 176.300 0.170 0.000 1.143 308 D CA -0.553 53.377 54.000 -0.117 0.000 1.076 308 D CB 0.779 41.554 40.800 -0.042 0.000 1.444 308 D HN 0.315 nan 8.370 nan 0.000 0.567 309 T N 0.114 114.810 114.554 0.237 0.000 2.897 309 T HA 0.522 4.879 4.350 0.011 0.000 0.294 309 T C -2.317 172.477 174.700 0.156 0.000 1.004 309 T CA -0.942 61.316 62.100 0.263 0.000 1.106 309 T CB 0.853 69.839 68.868 0.196 0.000 0.949 309 T HN 0.210 nan 8.240 nan 0.000 0.520 310 P HA 0.229 nan 4.420 nan 0.000 0.271 310 P C -2.126 175.147 177.300 -0.045 0.000 1.216 310 P CA -1.190 61.897 63.100 -0.023 0.000 0.776 310 P CB -0.315 31.362 31.700 -0.039 0.000 0.881 311 P HA 0.005 nan 4.420 nan 0.000 0.269 311 P C -0.525 176.739 177.300 -0.058 0.000 1.209 311 P CA 0.166 63.224 63.100 -0.072 0.000 0.776 311 P CB 0.496 32.127 31.700 -0.115 0.000 0.876 312 D N 3.746 124.129 120.400 -0.028 0.000 2.359 312 D HA 0.068 4.714 4.640 0.011 0.000 0.250 312 D C -1.066 175.225 176.300 -0.016 0.000 1.264 312 D CA -2.215 51.773 54.000 -0.020 0.000 0.911 312 D CB 0.302 41.094 40.800 -0.012 0.000 1.056 312 D HN 0.166 nan 8.370 nan 0.000 0.499 313 P HA -0.223 nan 4.420 nan 0.000 0.223 313 P C 0.942 178.256 177.300 0.023 0.000 1.140 313 P CA 0.708 63.818 63.100 0.016 0.000 0.783 313 P CB 0.148 31.863 31.700 0.025 0.000 0.759 314 A N 0.056 122.879 122.820 0.006 0.000 2.070 314 A HA -0.099 4.227 4.320 0.011 0.000 0.220 314 A C 2.238 179.824 177.584 0.003 0.000 1.159 314 A CA 0.924 52.963 52.037 0.002 0.000 0.656 314 A CB -1.394 17.601 19.000 -0.007 0.000 0.800 314 A HN 0.201 nan 8.150 nan 0.000 0.453 315 L N -0.464 120.760 121.223 0.001 0.000 2.456 315 L HA -0.079 4.267 4.340 0.011 0.000 0.224 315 L C 0.686 177.568 176.870 0.020 0.000 1.148 315 L CA 0.596 55.434 54.840 -0.003 0.000 0.825 315 L CB -0.290 41.760 42.059 -0.016 0.000 0.937 315 L HN 0.238 nan 8.230 nan 0.000 0.450 316 D N 0.021 120.451 120.400 0.050 0.000 2.342 316 D HA -0.017 4.630 4.640 0.011 0.000 0.221 316 D C 0.686 177.035 176.300 0.082 0.000 1.101 316 D CA 0.075 54.141 54.000 0.110 0.000 0.837 316 D CB 0.103 41.043 40.800 0.233 0.000 0.938 316 D HN 0.383 nan 8.370 nan 0.000 0.508 317 E N 1.094 121.315 120.200 0.035 0.000 2.529 317 E HA 0.008 4.364 4.350 0.011 0.000 0.259 317 E C -0.525 176.074 176.600 -0.002 0.000 0.966 317 E CA 0.048 56.452 56.400 0.006 0.000 0.937 317 E CB 0.784 30.477 29.700 -0.011 0.000 0.923 317 E HN -0.230 nan 8.360 nan 0.000 0.468 318 V N 5.623 125.523 119.914 -0.023 0.000 2.481 318 V HA 0.198 4.324 4.120 0.011 0.000 0.286 318 V C 0.626 176.677 176.094 -0.071 0.000 1.042 318 V CA -0.468 61.809 62.300 -0.039 0.000 0.928 318 V CB 1.333 33.126 31.823 -0.050 0.000 0.986 318 V HN 0.722 nan 8.190 nan 0.000 0.462 319 R N 3.746 124.178 120.500 -0.112 0.000 2.489 319 R HA 0.132 4.478 4.340 0.011 0.000 0.287 319 R C -0.127 176.075 176.300 -0.163 0.000 1.053 319 R CA -0.474 55.510 56.100 -0.194 0.000 1.036 319 R CB 0.343 30.397 30.300 -0.410 0.000 0.966 319 R HN 0.689 nan 8.270 nan 0.000 0.432 320 K N 3.303 123.622 120.400 -0.135 0.000 2.447 320 K HA 0.006 4.333 4.320 0.011 0.000 0.281 320 K C -0.270 176.268 176.600 -0.104 0.000 1.031 320 K CA 0.264 56.492 56.287 -0.098 0.000 1.019 320 K CB 0.563 33.016 32.500 -0.078 0.000 0.918 320 K HN 0.504 nan 8.250 nan 0.000 0.476 321 E N 1.513 121.671 120.200 -0.070 0.000 2.318 321 E HA 0.451 4.807 4.350 0.011 0.000 0.265 321 E C 0.105 176.685 176.600 -0.034 0.000 1.069 321 E CA -0.255 56.117 56.400 -0.048 0.000 0.893 321 E CB 1.185 30.872 29.700 -0.022 0.000 1.076 321 E HN 0.725 nan 8.360 nan 0.000 0.414 358 D N 1.189 121.628 120.400 0.064 0.000 2.623 358 D HA 0.330 4.976 4.640 0.011 0.000 0.252 358 D C 0.147 176.471 176.300 0.039 0.000 1.294 358 D CA -0.094 53.933 54.000 0.046 0.000 0.824 358 D CB 0.219 41.037 40.800 0.031 0.000 1.070 358 D HN 0.586 nan 8.370 nan 0.000 0.487 359 R N 0.480 121.008 120.500 0.046 0.000 2.573 359 R HA 0.416 4.763 4.340 0.011 0.000 0.272 359 R C -0.478 175.852 176.300 0.051 0.000 1.009 359 R CA -0.512 55.607 56.100 0.032 0.000 1.059 359 R CB 0.603 30.911 30.300 0.013 0.000 1.112 359 R HN -0.167 nan 8.270 nan 0.000 0.517 360 K N 2.721 123.149 120.400 0.047 0.000 2.401 360 K HA 0.041 4.367 4.320 0.011 0.000 0.278 360 K C -0.308 176.365 176.600 0.121 0.000 1.018 360 K CA 0.044 56.389 56.287 0.097 0.000 0.981 360 K CB 0.303 32.854 32.500 0.085 0.000 0.933 360 K HN 0.486 nan 8.250 nan 0.000 0.477 361 F N 3.890 123.861 119.950 0.036 0.000 2.418 361 F HA 0.186 4.719 4.527 0.011 0.000 0.341 361 F C 0.201 176.080 175.800 0.131 0.000 1.120 361 F CA -0.159 57.855 58.000 0.022 0.000 1.232 361 F CB 0.643 39.608 39.000 -0.057 0.000 1.175 361 F HN 0.541 nan 8.300 nan 0.000 0.569 362 R N 4.549 124.473 120.500 -0.960 0.000 2.739 362 R HA 0.800 5.147 4.340 0.011 0.000 0.271 362 R C -2.408 173.526 176.300 -0.610 0.000 1.010 362 R CA -1.175 54.593 56.100 -0.553 0.000 0.897 362 R CB 1.753 31.983 30.300 -0.116 0.000 1.236 362 R HN 0.663 nan 8.270 nan 0.000 0.466 363 V N 1.144 121.044 119.914 -0.024 0.000 2.760 363 V HA 0.484 4.610 4.120 0.011 0.000 0.309 363 V C -1.249 174.889 176.094 0.074 0.000 1.077 363 V CA -0.859 61.475 62.300 0.058 0.000 0.910 363 V CB 2.068 33.950 31.823 0.100 0.000 1.008 363 V HN 0.869 nan 8.190 nan 0.000 0.424 364 K N 6.780 127.041 120.400 -0.231 0.000 2.234 364 K HA 0.506 4.832 4.320 0.011 0.000 0.277 364 K C -0.769 175.683 176.600 -0.246 0.000 1.038 364 K CA -0.682 55.289 56.287 -0.526 0.000 0.888 364 K CB 0.920 32.728 32.500 -1.153 0.000 1.091 364 K HN 0.646 nan 8.250 nan 0.000 0.467 365 I N 6.585 127.061 120.570 -0.155 0.000 2.281 365 I HA 0.129 4.305 4.170 0.011 0.000 0.293 365 I C 1.256 177.371 176.117 -0.003 0.000 1.085 365 I CA 0.035 61.296 61.300 -0.065 0.000 1.257 365 I CB 0.690 38.635 38.000 -0.092 0.000 1.430 365 I HN 0.764 nan 8.210 nan 0.000 0.489 366 R N 3.820 124.312 120.500 -0.013 0.000 2.073 366 R HA 0.206 4.553 4.340 0.011 0.000 0.229 366 R C 0.977 177.347 176.300 0.116 0.000 1.120 366 R CA 0.707 56.812 56.100 0.009 0.000 0.967 366 R CB 0.188 30.465 30.300 -0.038 0.000 0.862 366 R HN 0.794 nan 8.270 nan 0.000 0.436 367 G N 0.410 109.305 108.800 0.160 0.000 2.324 367 G HA2 0.295 4.261 3.960 0.011 0.000 0.293 367 G HA3 0.295 4.261 3.960 0.011 0.000 0.293 367 G C -1.541 173.457 174.900 0.163 0.000 1.297 367 G CA -0.709 44.542 45.100 0.251 0.000 0.853 367 G HN 0.174 nan 8.290 nan 0.000 0.535 368 I N -2.234 118.428 120.570 0.154 0.000 3.042 368 I HA 0.944 5.121 4.170 0.011 0.000 0.310 368 I C -1.676 174.453 176.117 0.021 0.000 1.117 368 I CA -1.112 60.229 61.300 0.068 0.000 1.003 368 I CB 2.874 40.943 38.000 0.114 0.000 1.228 368 I HN 0.670 nan 8.210 nan 0.000 0.443 369 D N 3.591 123.973 120.400 -0.030 0.000 2.836 369 D HA 0.433 5.079 4.640 0.011 0.000 0.215 369 D C -1.584 174.681 176.300 -0.058 0.000 1.255 369 D CA -0.257 53.728 54.000 -0.025 0.000 0.822 369 D CB 2.426 43.205 40.800 -0.035 0.000 1.656 369 D HN 0.647 nan 8.370 nan 0.000 0.511 370 I N 2.017 122.567 120.570 -0.034 0.000 2.619 370 I HA 0.282 4.458 4.170 0.011 0.000 0.292 370 I C -1.951 174.140 176.117 -0.044 0.000 1.100 370 I CA -2.494 58.771 61.300 -0.059 0.000 1.043 370 I CB 2.399 40.355 38.000 -0.072 0.000 1.239 370 I HN 0.150 nan 8.210 nan 0.000 0.420 371 P HA -0.122 nan 4.420 nan 0.000 0.211 371 P C 0.175 177.451 177.300 -0.040 0.000 1.181 371 P CA 1.206 64.288 63.100 -0.031 0.000 0.929 371 P CB 0.058 31.744 31.700 -0.023 0.000 0.789 372 V N -0.172 119.719 119.914 -0.038 0.000 2.904 372 V HA 0.159 4.285 4.120 0.011 0.000 0.305 372 V C 1.289 177.333 176.094 -0.083 0.000 1.067 372 V CA 0.065 62.337 62.300 -0.047 0.000 1.044 372 V CB 1.404 33.211 31.823 -0.027 0.000 1.050 372 V HN 0.075 nan 8.190 nan 0.000 0.475 373 L N 1.207 122.365 121.223 -0.108 0.000 2.718 373 L HA 0.328 4.674 4.340 0.011 0.000 0.247 373 L C -1.557 175.215 176.870 -0.163 0.000 1.028 373 L CA 0.025 54.747 54.840 -0.196 0.000 1.031 373 L CB 0.533 42.451 42.059 -0.235 0.000 1.910 373 L HN 0.544 nan 8.230 nan 0.000 0.526 374 P HA -0.080 nan 4.420 nan 0.000 0.227 374 P C -0.692 176.574 177.300 -0.057 0.000 1.036 374 P CA 1.042 64.100 63.100 -0.071 0.000 1.080 374 P CB -0.120 31.552 31.700 -0.046 0.000 1.046 375 R N 2.552 123.016 120.500 -0.061 0.000 2.950 375 R HA 0.318 4.664 4.340 0.011 0.000 0.253 375 R C 1.209 177.501 176.300 -0.012 0.000 1.168 375 R CA -0.890 55.191 56.100 -0.032 0.000 1.014 375 R CB 1.100 31.380 30.300 -0.034 0.000 1.228 375 R HN 0.116 nan 8.270 nan 0.000 0.487 376 N N 0.297 119.001 118.700 0.007 0.000 2.027 376 N HA -0.096 4.651 4.740 0.011 0.000 0.185 376 N C 0.086 175.609 175.510 0.022 0.000 1.101 376 N CA 1.420 54.480 53.050 0.015 0.000 0.903 376 N CB -1.021 37.481 38.487 0.024 0.000 1.041 376 N HN 0.546 nan 8.380 nan 0.000 0.430 377 T N 1.770 116.347 114.554 0.038 0.000 2.716 377 T HA -0.027 4.330 4.350 0.011 0.000 0.335 377 T C 0.581 175.316 174.700 0.059 0.000 1.081 377 T CA 0.288 62.418 62.100 0.051 0.000 1.073 377 T CB 0.108 69.017 68.868 0.067 0.000 0.993 377 T HN 0.454 nan 8.240 nan 0.000 0.547 378 D N 0.354 120.796 120.400 0.070 0.000 2.892 378 D HA 0.117 4.764 4.640 0.011 0.000 0.291 378 D C 0.471 176.849 176.300 0.130 0.000 1.341 378 D CA -0.497 53.554 54.000 0.084 0.000 0.844 378 D CB -0.032 40.801 40.800 0.056 0.000 1.093 378 D HN 0.203 nan 8.370 nan 0.000 0.480 379 L N 0.902 122.220 121.223 0.157 0.000 2.473 379 L HA 0.030 4.376 4.340 0.011 0.000 0.280 379 L C 0.937 177.937 176.870 0.216 0.000 1.266 379 L CA 0.918 55.861 54.840 0.173 0.000 0.824 379 L CB 1.054 43.219 42.059 0.176 0.000 1.091 379 L HN 0.187 nan 8.230 nan 0.000 0.534 380 T N 0.865 115.532 114.554 0.188 0.000 2.814 380 T HA 0.465 4.821 4.350 0.011 0.000 0.284 380 T C -0.627 174.189 174.700 0.195 0.000 0.998 380 T CA -0.400 61.817 62.100 0.196 0.000 0.935 380 T CB 1.126 70.100 68.868 0.176 0.000 1.167 380 T HN 0.442 nan 8.240 nan 0.000 0.545 381 V N 2.067 122.110 119.914 0.215 0.000 3.077 381 V HA 0.753 4.880 4.120 0.011 0.000 0.299 381 V C -1.795 174.552 176.094 0.421 0.000 1.276 381 V CA -0.782 61.606 62.300 0.147 0.000 0.993 381 V CB 1.844 33.486 31.823 -0.302 0.000 1.076 381 V HN 0.922 nan 8.190 nan 0.000 0.434 382 F N 3.726 123.742 119.950 0.110 0.000 2.662 382 F HA 0.911 5.444 4.527 0.010 0.000 0.312 382 F C -1.437 174.285 175.800 -0.130 0.000 1.113 382 F CA -1.215 56.791 58.000 0.011 0.000 0.951 382 F CB 1.663 40.667 39.000 0.007 0.000 1.344 382 F HN 0.238 nan 8.300 nan 0.000 0.462 383 V N 1.500 121.216 119.914 -0.330 0.000 2.417 383 V HA 0.389 4.515 4.120 0.011 0.000 0.291 383 V C -0.513 175.534 176.094 -0.079 0.000 1.024 383 V CA -0.608 61.504 62.300 -0.314 0.000 0.861 383 V CB 1.294 32.849 31.823 -0.448 0.000 0.985 383 V HN 0.876 nan 8.190 nan 0.000 0.436 384 E N 3.326 123.540 120.200 0.023 0.000 2.216 384 E HA 0.716 5.073 4.350 0.011 0.000 0.279 384 E C -0.590 176.086 176.600 0.126 0.000 0.997 384 E CA -0.596 55.902 56.400 0.164 0.000 0.817 384 E CB 1.577 31.475 29.700 0.329 0.000 1.096 384 E HN 0.830 nan 8.360 nan 0.000 0.393 385 A N 4.932 127.856 122.820 0.173 0.000 2.335 385 A HA 0.490 4.817 4.320 0.011 0.000 0.304 385 A C -1.203 176.595 177.584 0.357 0.000 1.118 385 A CA -0.923 51.270 52.037 0.259 0.000 0.757 385 A CB 0.860 20.090 19.000 0.383 0.000 1.188 385 A HN 0.670 nan 8.150 nan 0.000 0.460 386 N N 1.970 120.813 118.700 0.239 0.000 2.269 386 N HA 0.455 5.202 4.740 0.011 0.000 0.304 386 N C -1.040 174.504 175.510 0.056 0.000 1.072 386 N CA -0.558 52.612 53.050 0.200 0.000 0.802 386 N CB 1.820 40.392 38.487 0.141 0.000 1.348 386 N HN 0.446 nan 8.380 nan 0.000 0.484 387 I N 1.855 122.416 120.570 -0.014 0.000 2.291 387 I HA 0.228 4.405 4.170 0.011 0.000 0.290 387 I C 0.590 176.670 176.117 -0.061 0.000 1.050 387 I CA -0.203 60.998 61.300 -0.166 0.000 1.245 387 I CB 0.119 37.937 38.000 -0.303 0.000 1.405 387 I HN 0.248 nan 8.210 nan 0.000 0.478 388 Q N 4.867 124.640 119.800 -0.046 0.000 2.204 388 Q HA 0.496 4.843 4.340 0.011 0.000 0.254 388 Q C -0.495 175.522 176.000 0.029 0.000 0.981 388 Q CA -0.633 55.166 55.803 -0.007 0.000 0.897 388 Q CB 2.594 31.322 28.738 -0.017 0.000 1.273 388 Q HN 0.493 nan 8.270 nan 0.000 0.464 389 H N -1.027 117.977 119.070 -0.109 0.000 3.212 389 H HA 0.166 4.728 4.556 0.010 0.000 0.306 389 H C -0.395 174.819 175.328 -0.191 0.000 1.198 389 H CA 0.711 56.663 56.048 -0.161 0.000 1.532 389 H CB 0.846 30.523 29.762 -0.142 0.000 2.133 389 H HN 0.887 nan 8.280 nan 0.000 0.395 390 G N 4.181 112.717 108.800 -0.440 0.000 2.314 390 G HA2 -0.326 3.641 3.960 0.011 0.000 0.292 390 G HA3 -0.326 3.641 3.960 0.011 0.000 0.292 390 G C 0.540 175.293 174.900 -0.245 0.000 1.059 390 G CA 1.364 46.233 45.100 -0.386 0.000 0.982 390 G HN 0.880 nan 8.290 nan 0.000 0.505 391 Q N -2.337 117.357 119.800 -0.176 0.000 2.284 391 Q HA -0.259 4.087 4.340 0.011 0.000 0.205 391 Q C 0.640 176.588 176.000 -0.087 0.000 0.682 391 Q CA 2.620 58.344 55.803 -0.131 0.000 1.401 391 Q CB -1.108 27.520 28.738 -0.183 0.000 1.643 391 Q HN 1.004 nan 8.270 nan 0.000 0.717 392 Q N 0.290 120.055 119.800 -0.057 0.000 2.331 392 Q HA 0.465 4.811 4.340 0.011 0.000 0.257 392 Q C -0.694 175.321 176.000 0.025 0.000 0.957 392 Q CA -0.222 55.578 55.803 -0.003 0.000 0.923 392 Q CB 0.981 29.747 28.738 0.046 0.000 1.212 392 Q HN 0.220 nan 8.270 nan 0.000 0.443 393 V N 4.559 124.488 119.914 0.026 0.000 2.381 393 V HA 0.054 4.181 4.120 0.011 0.000 0.257 393 V C 1.194 177.315 176.094 0.045 0.000 1.057 393 V CA 0.053 62.379 62.300 0.043 0.000 1.013 393 V CB -0.334 31.524 31.823 0.057 0.000 1.069 393 V HN 0.882 nan 8.190 nan 0.000 0.484 394 L N 2.676 123.923 121.223 0.040 0.000 2.023 394 L HA 0.084 4.431 4.340 0.011 0.000 0.205 394 L C 1.175 178.081 176.870 0.061 0.000 1.073 394 L CA 1.347 56.206 54.840 0.030 0.000 0.745 394 L CB -0.105 41.951 42.059 -0.005 0.000 0.900 394 L HN 0.690 nan 8.230 nan 0.000 0.435 395 C N -1.104 118.260 119.300 0.108 0.000 2.898 395 C HA 0.551 5.017 4.460 0.011 0.000 0.304 395 C C -0.825 174.354 174.990 0.315 0.000 1.237 395 C CA -0.565 58.587 59.018 0.223 0.000 1.529 395 C CB 1.916 29.871 27.740 0.358 0.000 2.021 395 C HN 0.426 nan 8.230 nan 0.000 0.474 396 Q N 3.576 123.526 119.800 0.250 0.000 2.289 396 Q HA 0.645 4.992 4.340 0.011 0.000 0.270 396 Q C -1.287 174.697 176.000 -0.027 0.000 1.038 396 Q CA -0.533 55.388 55.803 0.196 0.000 0.812 396 Q CB 1.254 30.066 28.738 0.124 0.000 1.300 396 Q HN 0.715 nan 8.270 nan 0.000 0.427 397 R N 2.306 122.739 120.500 -0.111 0.000 2.854 397 R HA 0.670 5.016 4.340 0.011 0.000 0.271 397 R C -0.940 175.310 176.300 -0.085 0.000 0.994 397 R CA -0.717 55.211 56.100 -0.288 0.000 0.945 397 R CB 2.201 32.031 30.300 -0.784 0.000 1.194 397 R HN 0.758 nan 8.270 nan 0.000 0.476 398 R N -0.469 119.976 120.500 -0.091 0.000 2.740 398 R HA 0.403 4.750 4.340 0.011 0.000 0.273 398 R C -0.227 176.014 176.300 -0.097 0.000 0.998 398 R CA -0.788 55.299 56.100 -0.021 0.000 0.900 398 R CB 2.142 32.458 30.300 0.027 0.000 1.223 398 R HN 0.780 nan 8.270 nan 0.000 0.466 399 T N -1.629 112.832 114.554 -0.154 0.000 2.862 399 T HA 0.365 4.721 4.350 0.011 0.000 0.276 399 T C 0.560 175.192 174.700 -0.113 0.000 0.974 399 T CA -0.800 61.112 62.100 -0.312 0.000 0.966 399 T CB 1.197 69.461 68.868 -1.007 0.000 1.072 399 T HN 0.573 nan 8.240 nan 0.000 0.538 400 S N 0.574 116.300 115.700 0.044 0.000 2.617 400 S HA 0.507 4.983 4.470 0.011 0.000 0.269 400 S C -2.719 172.100 174.600 0.366 0.000 1.292 400 S CA -1.227 57.072 58.200 0.164 0.000 1.010 400 S CB 0.034 63.358 63.200 0.206 0.000 0.944 400 S HN 0.598 nan 8.310 nan 0.000 0.536 401 P HA 0.406 nan 4.420 nan 0.000 0.272 401 P C -0.601 176.898 177.300 0.331 0.000 1.230 401 P CA -0.460 62.836 63.100 0.328 0.000 0.788 401 P CB 0.421 32.213 31.700 0.154 0.000 0.949 402 K N 1.159 121.738 120.400 0.298 0.000 2.575 402 K HA 0.381 4.708 4.320 0.011 0.000 0.279 402 K C -2.895 173.764 176.600 0.099 0.000 0.969 402 K CA -2.135 54.216 56.287 0.106 0.000 0.868 402 K CB 1.580 33.998 32.500 -0.136 0.000 1.457 402 K HN 0.141 nan 8.250 nan 0.000 0.426 403 P HA -0.058 nan 4.420 nan 0.000 0.263 403 P C -0.670 176.733 177.300 0.173 0.000 1.195 403 P CA -0.006 63.154 63.100 0.100 0.000 0.762 403 P CB 0.102 31.829 31.700 0.046 0.000 0.799 404 F N 5.528 125.505 119.950 0.044 0.000 2.662 404 F HA 0.081 4.614 4.527 0.011 0.000 0.343 404 F C 0.753 176.563 175.800 0.018 0.000 1.302 404 F CA -0.387 57.643 58.000 0.050 0.000 1.142 404 F CB -1.279 37.771 39.000 0.084 0.000 1.524 404 F HN 0.175 nan 8.300 nan 0.000 0.668 405 T N 0.940 115.645 114.554 0.252 0.000 2.880 405 T HA 0.256 4.612 4.350 0.011 0.000 0.279 405 T C 1.208 175.928 174.700 0.034 0.000 0.990 405 T CA -0.603 61.530 62.100 0.055 0.000 0.938 405 T CB 1.058 69.935 68.868 0.016 0.000 1.206 405 T HN 0.363 nan 8.240 nan 0.000 0.573 406 E N 0.261 120.443 120.200 -0.029 0.000 2.209 406 E HA -0.061 4.295 4.350 0.011 0.000 0.196 406 E C 0.639 177.242 176.600 0.006 0.000 0.993 406 E CA 1.108 57.488 56.400 -0.034 0.000 0.819 406 E CB 0.057 29.731 29.700 -0.043 0.000 0.745 406 E HN 0.809 nan 8.360 nan 0.000 0.477 407 E N 0.287 120.489 120.200 0.004 0.000 2.274 407 E HA 0.331 4.688 4.350 0.011 0.000 0.269 407 E C -1.632 174.941 176.600 -0.046 0.000 0.891 407 E CA -0.335 56.058 56.400 -0.011 0.000 0.784 407 E CB 1.969 31.649 29.700 -0.033 0.000 1.225 407 E HN -0.231 nan 8.360 nan 0.000 0.412 408 V N 5.861 125.732 119.914 -0.070 0.000 2.409 408 V HA 0.447 4.574 4.120 0.011 0.000 0.291 408 V C -0.119 175.768 176.094 -0.346 0.000 1.020 408 V CA -0.657 61.484 62.300 -0.266 0.000 0.848 408 V CB 1.265 32.890 31.823 -0.331 0.000 0.990 408 V HN 0.615 nan 8.190 nan 0.000 0.430 409 L N 3.448 124.414 121.223 -0.429 0.000 2.334 409 L HA 0.556 4.902 4.340 0.011 0.000 0.273 409 L C 0.173 176.791 176.870 -0.420 0.000 1.013 409 L CA -0.391 54.284 54.840 -0.276 0.000 0.816 409 L CB 2.473 44.444 42.059 -0.148 0.000 1.278 409 L HN 0.665 nan 8.230 nan 0.000 0.431 410 W N -0.030 121.251 121.300 -0.031 0.000 3.728 410 W HA 0.056 4.723 4.660 0.012 0.000 0.210 410 W C 0.767 177.254 176.519 -0.052 0.000 1.105 410 W CA -0.005 57.323 57.345 -0.028 0.000 1.561 410 W CB 0.267 29.714 29.460 -0.022 0.000 0.718 410 W HN 0.759 nan 8.180 nan 0.000 0.847 411 N N 1.513 120.295 118.700 0.136 0.000 2.707 411 N HA -0.179 4.567 4.740 0.011 0.000 0.253 411 N C -1.161 174.329 175.510 -0.033 0.000 0.998 411 N CA 0.614 53.659 53.050 -0.008 0.000 0.751 411 N CB -1.114 37.359 38.487 -0.023 0.000 0.920 411 N HN -0.211 nan 8.380 nan 0.000 0.539 412 V N 0.648 120.556 119.914 -0.011 0.000 2.628 412 V HA 0.501 4.628 4.120 0.011 0.000 0.306 412 V C 0.294 176.336 176.094 -0.087 0.000 1.045 412 V CA -0.746 61.554 62.300 0.001 0.000 0.905 412 V CB 1.277 33.160 31.823 0.099 0.000 0.997 412 V HN 0.278 nan 8.190 nan 0.000 0.436 413 W N 4.214 125.524 121.300 0.017 0.000 2.338 413 W HA 0.602 5.268 4.660 0.010 0.000 0.307 413 W C -0.283 176.222 176.519 -0.024 0.000 1.167 413 W CA -0.360 56.981 57.345 -0.006 0.000 1.208 413 W CB 0.936 30.387 29.460 -0.015 0.000 1.228 413 W HN 0.319 nan 8.180 nan 0.000 0.499 414 L N 3.871 125.250 121.223 0.259 0.000 2.283 414 L HA 0.292 4.638 4.340 0.011 0.000 0.281 414 L C 0.165 177.129 176.870 0.157 0.000 1.033 414 L CA -0.528 54.371 54.840 0.098 0.000 0.848 414 L CB 0.784 42.871 42.059 0.046 0.000 1.226 414 L HN 0.426 nan 8.230 nan 0.000 0.429 415 E N 2.877 123.112 120.200 0.058 0.000 2.227 415 E HA 0.419 4.776 4.350 0.011 0.000 0.282 415 E C -1.119 175.521 176.600 0.067 0.000 1.015 415 E CA -0.629 55.841 56.400 0.117 0.000 0.823 415 E CB 0.985 30.704 29.700 0.032 0.000 1.081 415 E HN 0.223 nan 8.360 nan 0.000 0.396 416 F N 1.019 121.051 119.950 0.137 0.000 2.457 416 F HA 0.198 4.731 4.527 0.010 0.000 0.330 416 F C 1.144 177.002 175.800 0.096 0.000 1.069 416 F CA -0.938 57.149 58.000 0.145 0.000 1.009 416 F CB 1.639 40.780 39.000 0.235 0.000 1.276 416 F HN 0.414 nan 8.300 nan 0.000 0.492 417 S N 1.238 117.077 115.700 0.233 0.000 3.149 417 S HA 0.575 5.051 4.470 0.011 0.000 0.228 417 S C -0.434 174.246 174.600 0.134 0.000 1.393 417 S CA -0.237 58.043 58.200 0.133 0.000 1.224 417 S CB -1.328 61.916 63.200 0.074 0.000 1.112 417 S HN 0.435 nan 8.310 nan 0.000 0.502 418 I N 1.125 121.797 120.570 0.170 0.000 2.610 418 I HA 0.311 4.488 4.170 0.011 0.000 0.289 418 I C -0.413 175.764 176.117 0.101 0.000 1.163 418 I CA -0.806 60.553 61.300 0.098 0.000 1.044 418 I CB 2.374 40.406 38.000 0.053 0.000 1.251 418 I HN 0.160 nan 8.210 nan 0.000 0.424 419 K N 5.078 125.513 120.400 0.058 0.000 2.295 419 K HA 0.292 4.619 4.320 0.011 0.000 0.270 419 K C 0.861 177.493 176.600 0.053 0.000 1.011 419 K CA -0.697 55.627 56.287 0.062 0.000 0.953 419 K CB 1.469 33.992 32.500 0.039 0.000 0.956 419 K HN 0.445 nan 8.250 nan 0.000 0.477 420 I N 2.163 122.780 120.570 0.078 0.000 2.264 420 I HA -0.238 3.938 4.170 0.011 0.000 0.248 420 I C 2.065 178.203 176.117 0.036 0.000 1.111 420 I CA 1.616 62.954 61.300 0.064 0.000 1.382 420 I CB -0.691 37.346 38.000 0.061 0.000 1.060 420 I HN 0.614 nan 8.210 nan 0.000 0.418 421 K N 0.931 121.358 120.400 0.044 0.000 2.217 421 K HA -0.117 4.210 4.320 0.011 0.000 0.202 421 K C 1.355 177.964 176.600 0.014 0.000 1.051 421 K CA 1.002 57.314 56.287 0.041 0.000 0.952 421 K CB -0.064 32.460 32.500 0.041 0.000 0.736 421 K HN 0.230 nan 8.250 nan 0.000 0.453 422 D N -0.028 120.369 120.400 -0.004 0.000 2.340 422 D HA 0.001 4.647 4.640 0.011 0.000 0.220 422 D C -0.120 176.146 176.300 -0.056 0.000 1.039 422 D CA 0.152 54.133 54.000 -0.031 0.000 0.866 422 D CB 0.210 40.989 40.800 -0.034 0.000 0.913 422 D HN 0.183 nan 8.370 nan 0.000 0.523 423 L N 3.561 124.747 121.223 -0.063 0.000 2.418 423 L HA 0.145 4.491 4.340 0.011 0.000 0.274 423 L C -1.906 174.932 176.870 -0.053 0.000 1.135 423 L CA -1.164 53.614 54.840 -0.103 0.000 0.870 423 L CB 0.464 42.436 42.059 -0.144 0.000 1.154 423 L HN -0.207 nan 8.230 nan 0.000 0.462 424 P HA 0.131 nan 4.420 nan 0.000 0.284 424 P C -0.910 176.427 177.300 0.060 0.000 1.253 424 P CA -0.792 62.302 63.100 -0.011 0.000 0.800 424 P CB 1.253 32.857 31.700 -0.160 0.000 0.961 425 K N 1.366 121.839 120.400 0.123 0.000 2.448 425 K HA 0.269 4.596 4.320 0.011 0.000 0.278 425 K C 1.174 177.882 176.600 0.180 0.000 1.009 425 K CA 1.178 57.540 56.287 0.124 0.000 0.995 425 K CB -0.613 31.934 32.500 0.079 0.000 0.917 425 K HN 0.778 nan 8.250 nan 0.000 0.481 426 G N 1.856 110.758 108.800 0.170 0.000 2.213 426 G HA2 -0.264 3.702 3.960 0.011 0.000 0.226 426 G HA3 -0.264 3.702 3.960 0.011 0.000 0.226 426 G C 0.137 175.006 174.900 -0.052 0.000 0.992 426 G CA -0.068 45.028 45.100 -0.007 0.000 0.632 426 G HN 0.956 nan 8.290 nan 0.000 0.511 427 A N 0.615 123.482 122.820 0.078 0.000 2.511 427 A HA 0.599 4.926 4.320 0.011 0.000 0.242 427 A C 0.459 177.985 177.584 -0.097 0.000 1.069 427 A CA 0.499 52.555 52.037 0.031 0.000 0.763 427 A CB 0.252 19.228 19.000 -0.040 0.000 1.001 427 A HN 0.898 nan 8.150 nan 0.000 0.498 428 L N 2.149 123.308 121.223 -0.107 0.000 2.325 428 L HA 0.395 4.741 4.340 0.011 0.000 0.278 428 L C -0.496 176.298 176.870 -0.127 0.000 1.023 428 L CA -0.945 53.824 54.840 -0.118 0.000 0.811 428 L CB 1.726 43.732 42.059 -0.090 0.000 1.249 428 L HN 0.720 nan 8.230 nan 0.000 0.431 429 L N 4.802 125.950 121.223 -0.125 0.000 2.270 429 L HA 0.321 4.668 4.340 0.011 0.000 0.286 429 L C -0.179 176.669 176.870 -0.036 0.000 1.059 429 L CA 0.231 55.002 54.840 -0.114 0.000 0.839 429 L CB 0.437 42.431 42.059 -0.107 0.000 1.221 429 L HN 0.528 nan 8.230 nan 0.000 0.431 430 N N 6.240 124.942 118.700 0.002 0.000 2.425 430 N HA 0.319 5.065 4.740 0.011 0.000 0.268 430 N C -1.527 174.030 175.510 0.079 0.000 0.991 430 N CA -0.470 52.613 53.050 0.055 0.000 0.931 430 N CB 0.915 39.437 38.487 0.059 0.000 1.130 430 N HN 0.662 nan 8.380 nan 0.000 0.493 431 L N 3.020 124.291 121.223 0.081 0.000 2.313 431 L HA 0.418 4.765 4.340 0.011 0.000 0.283 431 L C -0.127 176.775 176.870 0.053 0.000 1.013 431 L CA -0.620 54.255 54.840 0.058 0.000 0.816 431 L CB 1.785 43.858 42.059 0.022 0.000 1.236 431 L HN 0.431 nan 8.230 nan 0.000 0.419 432 Q N 4.153 123.950 119.800 -0.004 0.000 2.423 432 Q HA 0.643 4.990 4.340 0.011 0.000 0.278 432 Q C -1.190 174.655 176.000 -0.259 0.000 1.097 432 Q CA -0.826 54.907 55.803 -0.116 0.000 0.809 432 Q CB 3.469 32.098 28.738 -0.182 0.000 1.391 432 Q HN 0.524 nan 8.270 nan 0.000 0.428 433 I N 1.823 122.182 120.570 -0.352 0.000 2.389 433 I HA 0.386 4.562 4.170 0.011 0.000 0.288 433 I C -1.307 174.444 176.117 -0.610 0.000 0.999 433 I CA -0.753 60.325 61.300 -0.370 0.000 1.129 433 I CB 0.918 38.865 38.000 -0.089 0.000 1.288 433 I HN 0.497 nan 8.210 nan 0.000 0.444 434 Y N 5.299 125.238 120.300 -0.601 0.000 2.429 434 Y HA 0.677 5.233 4.550 0.011 0.000 0.342 434 Y C 0.266 175.946 175.900 -0.366 0.000 1.004 434 Y CA -0.532 57.239 58.100 -0.549 0.000 1.075 434 Y CB 1.985 39.901 38.460 -0.906 0.000 1.214 434 Y HN 0.803 nan 8.280 nan 0.000 0.455 461 L N 3.033 124.045 121.223 -0.352 0.000 2.586 461 L HA 0.378 4.725 4.340 0.011 0.000 0.204 461 L C -0.662 175.824 176.870 -0.640 0.000 1.053 461 L CA 0.039 54.599 54.840 -0.466 0.000 0.856 461 L CB 0.454 42.246 42.059 -0.445 0.000 1.192 461 L HN 0.514 nan 8.230 nan 0.000 0.484 462 Y N -0.552 119.701 120.300 -0.077 0.000 2.512 462 Y HA 0.523 5.079 4.550 0.011 0.000 0.348 462 Y C -0.695 175.212 175.900 0.012 0.000 0.990 462 Y CA -1.402 56.676 58.100 -0.036 0.000 1.033 462 Y CB 1.683 40.100 38.460 -0.072 0.000 1.259 462 Y HN 0.009 nan 8.280 nan 0.000 0.461 463 Y N -0.648 119.743 120.300 0.152 0.000 2.597 463 Y HA 0.901 5.458 4.550 0.012 0.000 0.340 463 Y C -2.016 173.987 175.900 0.172 0.000 1.097 463 Y CA -1.570 56.586 58.100 0.095 0.000 1.037 463 Y CB 1.599 40.098 38.460 0.065 0.000 1.305 463 Y HN 0.584 nan 8.280 nan 0.000 0.463 464 V N 2.182 122.241 119.914 0.243 0.000 3.167 464 V HA 0.490 4.616 4.120 0.011 0.000 0.293 464 V C -1.973 174.233 176.094 0.186 0.000 1.379 464 V CA -0.789 61.611 62.300 0.167 0.000 1.019 464 V CB 2.495 34.304 31.823 -0.024 0.000 1.115 464 V HN 1.003 nan 8.190 nan 0.000 0.442 465 N N 3.019 121.824 118.700 0.176 0.000 2.265 465 N HA 0.776 5.522 4.740 0.011 0.000 0.300 465 N C -1.740 173.787 175.510 0.028 0.000 1.148 465 N CA -0.402 52.706 53.050 0.097 0.000 0.772 465 N CB 2.558 41.112 38.487 0.112 0.000 1.434 465 N HN 0.576 nan 8.380 nan 0.000 0.481 466 L N 1.203 122.399 121.223 -0.045 0.000 2.470 466 L HA 0.490 4.836 4.340 0.011 0.000 0.268 466 L C -1.375 175.425 176.870 -0.116 0.000 0.964 466 L CA -0.470 54.302 54.840 -0.114 0.000 0.839 466 L CB 1.518 43.420 42.059 -0.263 0.000 1.276 466 L HN 0.448 nan 8.230 nan 0.000 0.403 467 L N 5.983 127.150 121.223 -0.092 0.000 2.500 467 L HA 0.133 4.479 4.340 0.011 0.000 0.272 467 L C 1.257 178.076 176.870 -0.085 0.000 1.149 467 L CA 0.136 54.912 54.840 -0.107 0.000 0.897 467 L CB 0.545 42.543 42.059 -0.102 0.000 1.178 467 L HN 0.758 nan 8.230 nan 0.000 0.473 468 L N 4.771 125.928 121.223 -0.110 0.000 2.275 468 L HA 0.002 4.349 4.340 0.011 0.000 0.215 468 L C 0.532 177.377 176.870 -0.042 0.000 1.119 468 L CA 0.979 55.755 54.840 -0.108 0.000 0.790 468 L CB -0.091 41.834 42.059 -0.223 0.000 0.919 468 L HN 0.524 nan 8.230 nan 0.000 0.443 469 I N 0.096 120.665 120.570 -0.001 0.000 2.466 469 I HA 0.143 4.319 4.170 0.011 0.000 0.289 469 I C -0.534 175.658 176.117 0.126 0.000 1.026 469 I CA -0.975 60.351 61.300 0.043 0.000 1.078 469 I CB 1.822 39.844 38.000 0.037 0.000 1.249 469 I HN 0.000 nan 8.210 nan 0.000 0.429 470 D N 4.866 125.310 120.400 0.073 0.000 2.414 470 D HA -0.012 4.634 4.640 0.011 0.000 0.259 470 D C 1.270 177.547 176.300 -0.039 0.000 1.269 470 D CA 0.111 54.186 54.000 0.125 0.000 1.028 470 D CB 0.323 41.127 40.800 0.007 0.000 1.093 470 D HN 0.586 nan 8.370 nan 0.000 0.545 471 H N -0.779 118.201 119.070 -0.150 0.000 2.521 471 H HA 0.058 4.620 4.556 0.010 0.000 0.286 471 H C 0.694 175.790 175.328 -0.387 0.000 1.034 471 H CA 0.601 56.420 56.048 -0.382 0.000 1.278 471 H CB -0.347 29.281 29.762 -0.223 0.000 1.386 471 H HN 0.344 nan 8.280 nan 0.000 0.567 472 R N -0.028 120.122 120.500 -0.584 0.000 2.702 472 R HA 0.113 4.459 4.340 0.011 0.000 0.314 472 R C -0.480 175.864 176.300 0.073 0.000 1.152 472 R CA -0.456 55.489 56.100 -0.258 0.000 1.097 472 R CB -0.288 29.772 30.300 -0.400 0.000 1.343 472 R HN 0.044 nan 8.270 nan 0.000 0.575 473 F N -0.370 119.483 119.950 -0.162 0.000 3.100 473 F HA -0.298 4.235 4.527 0.010 0.000 0.284 473 F C -0.213 175.567 175.800 -0.034 0.000 0.875 473 F CA 0.555 58.512 58.000 -0.071 0.000 1.039 473 F CB -1.525 37.455 39.000 -0.035 0.000 1.111 473 F HN 0.135 nan 8.300 nan 0.000 0.575 474 L N 0.293 121.541 121.223 0.042 0.000 2.325 474 L HA 0.545 4.891 4.340 0.011 0.000 0.278 474 L C 0.242 177.141 176.870 0.049 0.000 1.023 474 L CA -1.355 53.521 54.840 0.061 0.000 0.811 474 L CB 1.480 43.553 42.059 0.024 0.000 1.249 474 L HN -0.022 nan 8.230 nan 0.000 0.431 475 L N 2.607 123.869 121.223 0.066 0.000 2.453 475 L HA 0.189 4.535 4.340 0.011 0.000 0.272 475 L C 0.450 177.351 176.870 0.051 0.000 1.182 475 L CA 0.355 55.210 54.840 0.025 0.000 0.858 475 L CB 0.494 42.510 42.059 -0.072 0.000 1.120 475 L HN 0.496 nan 8.230 nan 0.000 0.474 476 R N 3.838 124.369 120.500 0.052 0.000 2.641 476 R HA 0.542 4.889 4.340 0.011 0.000 0.269 476 R C -0.567 175.818 176.300 0.141 0.000 1.074 476 R CA -0.024 56.128 56.100 0.087 0.000 1.133 476 R CB 0.501 30.787 30.300 -0.023 0.000 1.029 476 R HN 0.806 nan 8.270 nan 0.000 0.488 477 R N 1.266 121.919 120.500 0.256 0.000 2.690 477 R HA 0.485 4.832 4.340 0.011 0.000 0.269 477 R C -1.463 175.009 176.300 0.286 0.000 1.037 477 R CA 0.078 56.328 56.100 0.249 0.000 0.877 477 R CB 1.574 31.968 30.300 0.155 0.000 1.255 477 R HN 0.868 nan 8.270 nan 0.000 0.467 478 G N 1.689 110.598 108.800 0.182 0.000 2.525 478 G HA2 -0.106 3.861 3.960 0.011 0.000 0.685 478 G HA3 -0.106 3.861 3.960 0.011 0.000 0.685 478 G C -1.482 173.379 174.900 -0.066 0.000 1.290 478 G CA -0.779 44.320 45.100 -0.002 0.000 0.915 478 G HN 0.499 nan 8.290 nan 0.000 0.548 479 E N -0.261 119.808 120.200 -0.218 0.000 2.313 479 E HA 0.524 4.880 4.350 0.011 0.000 0.276 479 E C -0.923 175.437 176.600 -0.400 0.000 1.031 479 E CA 0.242 56.537 56.400 -0.175 0.000 0.857 479 E CB 1.173 30.795 29.700 -0.130 0.000 1.040 479 E HN 0.395 nan 8.360 nan 0.000 0.408 480 Y N -0.224 120.043 120.300 -0.056 0.000 2.477 480 Y HA 0.326 4.883 4.550 0.011 0.000 0.347 480 Y C -0.200 175.648 175.900 -0.085 0.000 0.981 480 Y CA -0.932 57.123 58.100 -0.075 0.000 1.033 480 Y CB 1.988 40.376 38.460 -0.121 0.000 1.245 480 Y HN 0.110 nan 8.280 nan 0.000 0.455 481 V N 5.153 125.104 119.914 0.063 0.000 2.357 481 V HA 0.387 4.513 4.120 0.011 0.000 0.281 481 V C -0.776 175.279 176.094 -0.065 0.000 1.015 481 V CA -0.706 61.569 62.300 -0.041 0.000 0.827 481 V CB 0.906 32.696 31.823 -0.055 0.000 1.018 481 V HN 0.543 nan 8.190 nan 0.000 0.432 482 L N 4.553 125.698 121.223 -0.130 0.000 2.296 482 L HA 0.589 4.936 4.340 0.011 0.000 0.286 482 L C 0.026 176.710 176.870 -0.310 0.000 1.023 482 L CA -0.644 54.115 54.840 -0.135 0.000 0.812 482 L CB 1.029 43.028 42.059 -0.101 0.000 1.223 482 L HN 0.520 nan 8.230 nan 0.000 0.421 483 H N 4.758 123.712 119.070 -0.194 0.000 2.668 483 H HA 0.377 4.939 4.556 0.011 0.000 0.303 483 H C -0.203 174.842 175.328 -0.471 0.000 1.074 483 H CA -0.191 55.680 56.048 -0.296 0.000 1.406 483 H CB 1.234 30.824 29.762 -0.287 0.000 1.442 483 H HN 0.515 nan 8.280 nan 0.000 0.482 484 M N 2.233 121.613 119.600 -0.366 0.000 2.283 484 M HA 0.205 4.692 4.480 0.011 0.000 0.314 484 M C -0.341 175.671 176.300 -0.479 0.000 1.153 484 M CA -0.349 54.700 55.300 -0.417 0.000 1.084 484 M CB 1.154 33.623 32.600 -0.218 0.000 1.468 484 M HN 0.415 nan 8.290 nan 0.000 0.474 485 W N 0.438 121.533 121.300 -0.340 0.000 2.449 485 W HA 0.465 5.132 4.660 0.011 0.000 0.331 485 W C 0.296 176.722 176.519 -0.156 0.000 1.119 485 W CA -0.380 56.756 57.345 -0.348 0.000 1.240 485 W CB 0.707 29.763 29.460 -0.673 0.000 1.251 485 W HN 0.550 nan 8.180 nan 0.000 0.576 486 Q N 1.077 121.039 119.800 0.269 0.000 2.239 486 Q HA 0.723 5.070 4.340 0.011 0.000 0.193 486 Q C -1.143 174.936 176.000 0.132 0.000 1.004 486 Q CA -0.689 55.194 55.803 0.134 0.000 1.040 486 Q CB 1.264 30.081 28.738 0.131 0.000 1.149 486 Q HN 0.559 nan 8.270 nan 0.000 0.535 487 I N 0.479 121.047 120.570 -0.002 0.000 2.686 487 I HA 0.290 4.467 4.170 0.011 0.000 0.295 487 I C -0.924 175.189 176.117 -0.007 0.000 1.114 487 I CA -0.361 60.958 61.300 0.031 0.000 1.038 487 I CB 2.372 40.362 38.000 -0.016 0.000 1.238 487 I HN 0.728 nan 8.210 nan 0.000 0.420 488 S N 3.271 118.979 115.700 0.014 0.000 2.715 488 S HA 0.930 5.407 4.470 0.011 0.000 0.307 488 S C -0.368 174.236 174.600 0.006 0.000 1.119 488 S CA -0.601 57.606 58.200 0.012 0.000 0.937 488 S CB 2.016 65.234 63.200 0.030 0.000 1.150 488 S HN 0.762 nan 8.310 nan 0.000 0.521 498 N N 0.784 119.557 118.700 0.121 0.000 2.636 498 N HA 0.377 5.123 4.740 0.011 0.000 0.261 498 N C 0.356 175.880 175.510 0.023 0.000 1.195 498 N CA 0.373 53.448 53.050 0.041 0.000 0.902 498 N CB 1.727 40.212 38.487 -0.004 0.000 1.627 498 N HN 0.024 nan 8.380 nan 0.000 0.491 499 A N 1.872 124.700 122.820 0.014 0.000 1.927 499 A HA -0.224 4.102 4.320 0.011 0.000 0.220 499 A C 1.303 178.916 177.584 0.048 0.000 1.185 499 A CA 2.162 54.187 52.037 -0.019 0.000 0.639 499 A CB -0.617 18.225 19.000 -0.264 0.000 0.820 499 A HN 0.810 nan 8.150 nan 0.000 0.451 500 D N -0.593 119.759 120.400 -0.080 0.000 2.182 500 D HA -0.158 4.489 4.640 0.011 0.000 0.201 500 D C 1.774 178.002 176.300 -0.120 0.000 0.986 500 D CA 1.613 55.443 54.000 -0.283 0.000 0.847 500 D CB -0.252 39.987 40.800 -0.936 0.000 0.942 500 D HN 0.456 nan 8.370 nan 0.000 0.467 501 K N 0.425 120.735 120.400 -0.150 0.000 2.281 501 K HA -0.040 4.287 4.320 0.011 0.000 0.203 501 K C 1.782 178.343 176.600 -0.066 0.000 1.046 501 K CA 0.550 56.651 56.287 -0.311 0.000 0.938 501 K CB -0.084 32.240 32.500 -0.294 0.000 0.737 501 K HN 0.161 nan 8.250 nan 0.000 0.458 502 L N -0.357 120.896 121.223 0.050 0.000 2.607 502 L HA 0.100 4.446 4.340 0.011 0.000 0.228 502 L C 0.761 177.702 176.870 0.119 0.000 1.123 502 L CA -0.252 54.644 54.840 0.094 0.000 0.890 502 L CB 0.108 42.241 42.059 0.123 0.000 1.103 502 L HN 0.006 nan 8.230 nan 0.000 0.468 503 T N -0.322 114.282 114.554 0.084 0.000 2.940 503 T HA -0.021 4.336 4.350 0.011 0.000 0.309 503 T C 1.347 176.080 174.700 0.054 0.000 1.056 503 T CA 0.446 62.499 62.100 -0.079 0.000 1.137 503 T CB 0.889 69.474 68.868 -0.471 0.000 0.976 503 T HN 0.381 nan 8.240 nan 0.000 0.547 504 S N 3.167 118.879 115.700 0.020 0.000 2.528 504 S HA 0.341 4.818 4.470 0.011 0.000 0.219 504 S C 0.973 175.659 174.600 0.143 0.000 0.985 504 S CA -0.047 58.189 58.200 0.061 0.000 0.914 504 S CB 0.011 63.192 63.200 -0.032 0.000 0.776 504 S HN 0.907 nan 8.310 nan 0.000 0.526 505 A N 2.491 125.392 122.820 0.136 0.000 2.407 505 A HA 0.538 4.865 4.320 0.011 0.000 0.248 505 A C 0.750 178.527 177.584 0.321 0.000 1.082 505 A CA 0.010 52.161 52.037 0.191 0.000 0.785 505 A CB 0.012 19.100 19.000 0.147 0.000 1.020 505 A HN 0.589 nan 8.150 nan 0.000 0.489 506 T N 0.077 114.703 114.554 0.120 0.000 2.944 506 T HA 0.377 4.734 4.350 0.011 0.000 0.284 506 T C 0.165 174.505 174.700 -0.601 0.000 1.010 506 T CA -0.948 61.047 62.100 -0.174 0.000 1.025 506 T CB 0.700 69.535 68.868 -0.054 0.000 1.079 506 T HN 0.583 nan 8.240 nan 0.000 0.516 507 N N 1.794 119.771 118.700 -1.204 0.000 2.468 507 N HA 0.158 4.905 4.740 0.011 0.000 0.265 507 N C -1.798 173.384 175.510 -0.546 0.000 1.199 507 N CA -1.832 50.412 53.050 -1.344 0.000 0.928 507 N CB 1.150 38.958 38.487 -1.133 0.000 1.059 507 N HN 0.348 nan 8.380 nan 0.000 0.467 508 P HA -0.029 nan 4.420 nan 0.000 0.222 508 P C -0.254 176.921 177.300 -0.207 0.000 1.153 508 P CA 0.727 63.718 63.100 -0.182 0.000 0.798 508 P CB 0.180 31.854 31.700 -0.044 0.000 0.796 509 D N 0.056 120.332 120.400 -0.208 0.000 2.416 509 D HA 0.011 4.657 4.640 0.011 0.000 0.240 509 D C 0.796 176.945 176.300 -0.252 0.000 1.250 509 D CA 0.193 54.090 54.000 -0.171 0.000 0.967 509 D CB 0.298 41.039 40.800 -0.098 0.000 1.059 509 D HN -0.121 nan 8.370 nan 0.000 0.512 510 K N 1.749 121.946 120.400 -0.339 0.000 2.228 510 K HA -0.025 4.301 4.320 0.011 0.000 0.202 510 K C 1.647 178.126 176.600 -0.202 0.000 1.051 510 K CA 0.693 56.672 56.287 -0.514 0.000 0.960 510 K CB 0.315 32.466 32.500 -0.581 0.000 0.743 510 K HN 0.315 nan 8.250 nan 0.000 0.458 511 E N 0.485 120.606 120.200 -0.131 0.000 2.106 511 E HA -0.078 4.278 4.350 0.011 0.000 0.192 511 E C 0.686 177.262 176.600 -0.040 0.000 0.984 511 E CA 1.095 57.454 56.400 -0.068 0.000 0.806 511 E CB 0.169 29.836 29.700 -0.055 0.000 0.750 511 E HN 0.325 nan 8.360 nan 0.000 0.458 512 N N -0.404 118.272 118.700 -0.039 0.000 2.159 512 N HA 0.020 4.767 4.740 0.011 0.000 0.217 512 N C -0.268 175.233 175.510 -0.015 0.000 1.223 512 N CA 0.118 53.157 53.050 -0.018 0.000 0.896 512 N CB 0.949 39.434 38.487 -0.003 0.000 1.064 512 N HN -0.031 nan 8.380 nan 0.000 0.518 513 S N 0.595 116.278 115.700 -0.028 0.000 2.616 513 S HA 0.495 4.971 4.470 0.011 0.000 0.277 513 S C 0.252 174.800 174.600 -0.086 0.000 1.234 513 S CA -0.752 57.420 58.200 -0.047 0.000 1.028 513 S CB 1.757 64.916 63.200 -0.070 0.000 0.988 513 S HN 0.119 nan 8.310 nan 0.000 0.522 514 M N 3.033 122.464 119.600 -0.283 0.000 2.243 514 M HA 0.453 4.940 4.480 0.011 0.000 0.341 514 M C -0.122 175.969 176.300 -0.348 0.000 1.130 514 M CA 0.443 55.480 55.300 -0.439 0.000 1.162 514 M CB 0.708 32.656 32.600 -1.088 0.000 1.497 514 M HN 0.986 nan 8.290 nan 0.000 0.456 515 S N 5.074 120.576 115.700 -0.330 0.000 2.569 515 S HA 0.797 5.273 4.470 0.011 0.000 0.280 515 S C -1.071 173.371 174.600 -0.263 0.000 1.111 515 S CA -1.042 56.904 58.200 -0.423 0.000 0.887 515 S CB 1.310 64.063 63.200 -0.745 0.000 1.095 515 S HN 0.975 nan 8.310 nan 0.000 0.476 516 I N 1.515 121.948 120.570 -0.230 0.000 2.498 516 I HA 0.617 4.793 4.170 0.011 0.000 0.290 516 I C -1.018 175.043 176.117 -0.094 0.000 1.032 516 I CA -0.259 60.969 61.300 -0.120 0.000 1.073 516 I CB 2.162 40.110 38.000 -0.087 0.000 1.251 516 I HN 0.762 nan 8.210 nan 0.000 0.426 517 S N 7.968 123.638 115.700 -0.049 0.000 2.451 517 S HA 0.721 5.197 4.470 0.011 0.000 0.301 517 S C -0.444 174.144 174.600 -0.019 0.000 1.116 517 S CA -0.556 57.624 58.200 -0.033 0.000 1.093 517 S CB 1.081 64.260 63.200 -0.035 0.000 1.017 517 S HN 0.557 nan 8.310 nan 0.000 0.482 518 I N 0.037 120.608 120.570 0.001 0.000 3.174 518 I HA 0.810 4.986 4.170 0.011 0.000 0.313 518 I C -1.823 174.303 176.117 0.015 0.000 1.155 518 I CA -1.438 59.856 61.300 -0.009 0.000 0.977 518 I CB 1.859 39.863 38.000 0.007 0.000 1.248 518 I HN 0.472 nan 8.210 nan 0.000 0.453 519 L N 4.026 125.222 121.223 -0.046 0.000 2.406 519 L HA 0.586 4.932 4.340 0.011 0.000 0.272 519 L C -1.812 175.090 176.870 0.053 0.000 0.980 519 L CA -0.505 54.324 54.840 -0.018 0.000 0.831 519 L CB 1.727 43.691 42.059 -0.158 0.000 1.253 519 L HN 0.529 nan 8.230 nan 0.000 0.406 520 L N 4.647 125.968 121.223 0.164 0.000 2.265 520 L HA 0.526 4.873 4.340 0.011 0.000 0.289 520 L C -0.736 176.241 176.870 0.178 0.000 1.033 520 L CA 0.024 54.964 54.840 0.166 0.000 0.814 520 L CB 1.079 43.252 42.059 0.190 0.000 1.203 520 L HN 0.656 nan 8.230 nan 0.000 0.423 521 D N 3.526 124.044 120.400 0.196 0.000 2.330 521 D HA 0.340 4.987 4.640 0.011 0.000 0.249 521 D C -0.748 175.592 176.300 0.067 0.000 1.306 521 D CA -0.144 53.960 54.000 0.174 0.000 0.956 521 D CB 0.888 41.869 40.800 0.302 0.000 1.261 521 D HN 0.410 nan 8.370 nan 0.000 0.544 526 P HA 0.474 nan 4.420 nan 0.000 0.279 526 P C -0.152 177.229 177.300 0.135 0.000 1.276 526 P CA -0.643 62.520 63.100 0.106 0.000 0.801 526 P CB 1.931 33.660 31.700 0.049 0.000 1.127 527 I N 0.129 120.776 120.570 0.128 0.000 2.448 527 I HA 0.532 4.709 4.170 0.011 0.000 0.281 527 I C 0.010 176.190 176.117 0.105 0.000 1.027 527 I CA -0.471 60.926 61.300 0.161 0.000 1.111 527 I CB 1.350 39.542 38.000 0.320 0.000 1.236 527 I HN 0.443 nan 8.210 nan 0.000 0.452 545 A N 2.492 125.288 122.820 -0.039 0.000 2.567 545 A HA 0.043 4.369 4.320 0.011 0.000 0.240 545 A C 0.038 177.661 177.584 0.064 0.000 1.053 545 A CA 0.476 52.526 52.037 0.021 0.000 0.755 545 A CB 0.117 19.147 19.000 0.049 0.000 0.978 545 A HN 0.201 nan 8.150 nan 0.000 0.507 546 E N 2.389 122.622 120.200 0.056 0.000 2.259 546 E HA 0.283 4.639 4.350 0.011 0.000 0.281 546 E C 0.233 176.878 176.600 0.074 0.000 1.037 546 E CA -0.229 56.204 56.400 0.055 0.000 0.854 546 E CB 0.498 30.213 29.700 0.024 0.000 1.051 546 E HN 0.598 nan 8.360 nan 0.000 0.409 547 M N 6.068 125.698 119.600 0.048 0.000 2.252 547 M HA 0.168 4.654 4.480 0.011 0.000 0.348 547 M C -1.981 174.240 176.300 -0.132 0.000 1.334 547 M CA -1.179 54.053 55.300 -0.113 0.000 1.071 547 M CB 0.492 32.862 32.600 -0.383 0.000 1.763 547 M HN 0.347 nan 8.290 nan 0.000 0.452 548 P HA 0.025 nan 4.420 nan 0.000 0.267 548 P C -0.295 176.938 177.300 -0.112 0.000 1.200 548 P CA 0.064 63.116 63.100 -0.081 0.000 0.772 548 P CB 0.478 32.150 31.700 -0.047 0.000 0.855 549 N N 2.071 120.731 118.700 -0.067 0.000 2.018 549 N HA -0.271 4.475 4.740 0.011 0.000 0.196 549 N C 1.588 177.055 175.510 -0.071 0.000 1.043 549 N CA 1.917 54.931 53.050 -0.060 0.000 0.856 549 N CB -0.379 38.086 38.487 -0.036 0.000 1.042 549 N HN 0.310 nan 8.380 nan 0.000 0.423 550 Q N 0.004 119.768 119.800 -0.061 0.000 2.050 550 Q HA 0.040 4.386 4.340 0.011 0.000 0.202 550 Q C 2.137 178.088 176.000 -0.082 0.000 0.980 550 Q CA 1.349 57.118 55.803 -0.056 0.000 0.840 550 Q CB -0.394 28.322 28.738 -0.037 0.000 0.898 550 Q HN 0.485 nan 8.270 nan 0.000 0.424 551 L N -0.383 120.770 121.223 -0.117 0.000 2.046 551 L HA -0.176 4.171 4.340 0.011 0.000 0.208 551 L C 2.558 179.299 176.870 -0.216 0.000 1.077 551 L CA 1.419 56.158 54.840 -0.168 0.000 0.747 551 L CB -0.473 41.430 42.059 -0.260 0.000 0.896 551 L HN 0.235 nan 8.230 nan 0.000 0.432 552 R N 0.752 121.110 120.500 -0.238 0.000 2.103 552 R HA -0.219 4.127 4.340 0.011 0.000 0.242 552 R C 2.282 178.501 176.300 -0.134 0.000 1.142 552 R CA 1.679 57.658 56.100 -0.202 0.000 0.960 552 R CB -0.039 30.173 30.300 -0.147 0.000 0.858 552 R HN 0.303 nan 8.270 nan 0.000 0.439 553 K N -0.177 120.164 120.400 -0.099 0.000 2.148 553 K HA -0.183 4.143 4.320 0.011 0.000 0.204 553 K C 2.243 178.802 176.600 -0.069 0.000 1.050 553 K CA 1.494 57.739 56.287 -0.070 0.000 0.942 553 K CB -0.024 32.446 32.500 -0.050 0.000 0.724 553 K HN 0.307 nan 8.250 nan 0.000 0.446 554 Q N 0.737 120.492 119.800 -0.074 0.000 2.046 554 Q HA -0.118 4.229 4.340 0.011 0.000 0.200 554 Q C 2.178 178.140 176.000 -0.063 0.000 0.975 554 Q CA 1.067 56.836 55.803 -0.056 0.000 0.836 554 Q CB -0.032 28.680 28.738 -0.045 0.000 0.896 554 Q HN 0.233 nan 8.270 nan 0.000 0.428 555 L N 0.815 121.981 121.223 -0.095 0.000 2.042 555 L HA -0.244 4.103 4.340 0.011 0.000 0.210 555 L C 1.879 178.674 176.870 -0.126 0.000 1.076 555 L CA 1.746 56.523 54.840 -0.105 0.000 0.749 555 L CB -0.085 41.883 42.059 -0.153 0.000 0.893 555 L HN 0.209 nan 8.230 nan 0.000 0.432 556 E N -0.505 119.613 120.200 -0.137 0.000 2.110 556 E HA -0.217 4.140 4.350 0.011 0.000 0.193 556 E C 2.187 178.747 176.600 -0.066 0.000 0.988 556 E CA 1.054 57.381 56.400 -0.122 0.000 0.804 556 E CB -0.227 29.419 29.700 -0.091 0.000 0.745 556 E HN 0.701 nan 8.360 nan 0.000 0.458 557 A N 0.945 123.735 122.820 -0.050 0.000 1.877 557 A HA -0.182 4.145 4.320 0.011 0.000 0.216 557 A C 2.139 179.710 177.584 -0.021 0.000 1.186 557 A CA 1.067 53.087 52.037 -0.029 0.000 0.620 557 A CB -0.585 18.400 19.000 -0.024 0.000 0.822 557 A HN 0.154 nan 8.150 nan 0.000 0.443 558 I N -0.094 120.462 120.570 -0.023 0.000 2.091 558 I HA -0.320 3.856 4.170 0.011 0.000 0.239 558 I C 2.355 178.472 176.117 -0.000 0.000 1.061 558 I CA 1.745 63.040 61.300 -0.008 0.000 1.317 558 I CB -0.405 37.591 38.000 -0.006 0.000 1.031 558 I HN 0.326 nan 8.210 nan 0.000 0.401 559 I N 0.740 121.300 120.570 -0.017 0.000 2.194 559 I HA -0.352 3.824 4.170 0.011 0.000 0.246 559 I C 2.695 178.823 176.117 0.019 0.000 1.093 559 I CA 1.556 62.858 61.300 0.004 0.000 1.355 559 I CB -0.553 37.425 38.000 -0.037 0.000 1.046 559 I HN 0.259 nan 8.210 nan 0.000 0.413 560 A N -0.369 122.453 122.820 0.003 0.000 2.015 560 A HA -0.064 4.262 4.320 0.011 0.000 0.219 560 A C 1.488 179.077 177.584 0.008 0.000 1.163 560 A CA 0.870 52.912 52.037 0.007 0.000 0.646 560 A CB -0.729 18.269 19.000 -0.003 0.000 0.806 560 A HN 0.341 nan 8.150 nan 0.000 0.448 561 T N 2.382 116.941 114.554 0.009 0.000 2.934 561 T HA 0.132 4.488 4.350 0.011 0.000 0.321 561 T C -0.009 174.702 174.700 0.018 0.000 1.080 561 T CA 0.438 62.544 62.100 0.010 0.000 1.132 561 T CB 0.050 68.925 68.868 0.013 0.000 1.039 561 T HN 0.572 nan 8.240 nan 0.000 0.543 562 D N 3.899 124.306 120.400 0.012 0.000 2.372 562 D HA 0.079 4.725 4.640 0.011 0.000 0.243 562 D C -1.969 174.349 176.300 0.030 0.000 1.121 562 D CA -1.791 52.219 54.000 0.016 0.000 0.898 562 D CB 0.558 41.359 40.800 0.002 0.000 1.202 562 D HN 0.179 nan 8.370 nan 0.000 0.428 563 P HA -0.123 nan 4.420 nan 0.000 0.217 563 P C 1.238 178.565 177.300 0.045 0.000 1.151 563 P CA 0.999 64.135 63.100 0.059 0.000 0.849 563 P CB 0.147 31.887 31.700 0.066 0.000 0.787 564 L N -1.895 119.348 121.223 0.034 0.000 2.660 564 L HA 0.060 4.407 4.340 0.011 0.000 0.238 564 L C 0.698 177.577 176.870 0.016 0.000 1.161 564 L CA -0.076 54.779 54.840 0.025 0.000 0.937 564 L CB -1.053 41.025 42.059 0.032 0.000 1.122 564 L HN -0.022 nan 8.230 nan 0.000 0.435 565 N N 1.576 120.287 118.700 0.018 0.000 2.425 565 N HA 0.256 5.002 4.740 0.011 0.000 0.268 565 N C -2.271 173.248 175.510 0.014 0.000 0.991 565 N CA -1.705 51.353 53.050 0.013 0.000 0.931 565 N CB 1.195 39.690 38.487 0.012 0.000 1.130 565 N HN -0.118 nan 8.380 nan 0.000 0.493 566 P HA 0.062 nan 4.420 nan 0.000 0.268 566 P C -0.797 176.509 177.300 0.010 0.000 1.205 566 P CA 0.062 63.164 63.100 0.004 0.000 0.771 566 P CB 0.886 32.585 31.700 -0.003 0.000 0.858 567 L N 2.404 123.635 121.223 0.013 0.000 2.275 567 L HA 0.253 4.600 4.340 0.011 0.000 0.288 567 L C 1.198 178.075 176.870 0.012 0.000 1.046 567 L CA -0.408 54.443 54.840 0.018 0.000 0.805 567 L CB 0.995 43.072 42.059 0.029 0.000 1.193 567 L HN 0.368 nan 8.230 nan 0.000 0.426 568 T N 1.625 116.187 114.554 0.013 0.000 2.813 568 T HA 0.111 4.467 4.350 0.011 0.000 0.297 568 T C 1.321 176.027 174.700 0.010 0.000 1.036 568 T CA 0.211 62.317 62.100 0.009 0.000 1.044 568 T CB 1.570 70.444 68.868 0.010 0.000 0.993 568 T HN 0.766 nan 8.240 nan 0.000 0.535 569 A N 0.936 123.759 122.820 0.005 0.000 1.940 569 A HA -0.132 4.194 4.320 0.011 0.000 0.219 569 A C 2.177 179.769 177.584 0.013 0.000 1.176 569 A CA 1.749 53.787 52.037 0.002 0.000 0.631 569 A CB -0.596 18.402 19.000 -0.004 0.000 0.814 569 A HN 0.935 nan 8.150 nan 0.000 0.446 570 E N -0.401 119.809 120.200 0.017 0.000 2.150 570 E HA -0.195 4.162 4.350 0.011 0.000 0.193 570 E C 1.122 177.748 176.600 0.043 0.000 0.985 570 E CA 1.114 57.531 56.400 0.028 0.000 0.814 570 E CB -0.118 29.595 29.700 0.022 0.000 0.752 570 E HN 0.555 nan 8.360 nan 0.000 0.466 571 D N 0.797 121.218 120.400 0.035 0.000 2.097 571 D HA -0.147 4.500 4.640 0.011 0.000 0.195 571 D C 1.828 178.163 176.300 0.058 0.000 0.989 571 D CA 1.110 55.135 54.000 0.042 0.000 0.827 571 D CB -0.073 40.745 40.800 0.030 0.000 0.966 571 D HN 0.164 nan 8.370 nan 0.000 0.456 572 K N 0.665 121.094 120.400 0.049 0.000 2.147 572 K HA -0.101 4.225 4.320 0.011 0.000 0.205 572 K C 2.019 178.683 176.600 0.107 0.000 1.049 572 K CA 0.830 57.151 56.287 0.056 0.000 0.936 572 K CB 0.016 32.525 32.500 0.014 0.000 0.722 572 K HN 0.275 nan 8.250 nan 0.000 0.446 573 E N 0.783 121.043 120.200 0.099 0.000 2.152 573 E HA -0.108 4.248 4.350 0.011 0.000 0.192 573 E C 2.011 178.718 176.600 0.179 0.000 0.983 573 E CA 0.416 56.900 56.400 0.141 0.000 0.818 573 E CB 0.023 29.769 29.700 0.076 0.000 0.758 573 E HN 0.180 nan 8.360 nan 0.000 0.467 574 L N 0.994 122.318 121.223 0.168 0.000 2.027 574 L HA -0.133 4.213 4.340 0.011 0.000 0.206 574 L C 2.251 179.287 176.870 0.277 0.000 1.074 574 L CA 1.172 56.170 54.840 0.262 0.000 0.745 574 L CB -0.416 41.755 42.059 0.187 0.000 0.898 574 L HN 0.199 nan 8.230 nan 0.000 0.433 575 L N -0.698 120.624 121.223 0.164 0.000 2.131 575 L HA -0.255 4.091 4.340 0.011 0.000 0.210 575 L C 2.227 179.142 176.870 0.075 0.000 1.092 575 L CA 1.641 56.542 54.840 0.102 0.000 0.759 575 L CB -1.020 41.074 42.059 0.059 0.000 0.903 575 L HN 0.475 nan 8.230 nan 0.000 0.435 576 W N -0.893 120.370 121.300 -0.061 0.000 2.488 576 W HA -0.183 4.478 4.660 0.001 0.000 0.304 576 W C 2.570 179.001 176.519 -0.146 0.000 1.175 576 W CA 1.271 58.535 57.345 -0.136 0.000 1.365 576 W CB -0.445 28.935 29.460 -0.133 0.000 1.131 576 W HN 0.293 nan 8.180 nan 0.000 0.520 577 H N -0.404 118.452 119.070 -0.356 0.000 2.421 577 H HA -0.162 4.403 4.556 0.016 0.000 0.298 577 H C 0.505 175.415 175.328 -0.697 0.000 1.087 577 H CA 1.577 57.279 56.048 -0.576 0.000 1.330 577 H CB -0.599 28.855 29.762 -0.513 0.000 1.388 577 H HN 0.062 nan 8.280 nan 0.000 0.526 578 F N 1.387 121.227 119.950 -0.185 0.000 2.837 578 F HA 0.195 4.715 4.527 -0.011 0.000 0.298 578 F C 1.924 177.597 175.800 -0.212 0.000 1.161 578 F CA -0.489 57.412 58.000 -0.164 0.000 1.353 578 F CB 0.150 39.126 39.000 -0.040 0.000 0.951 578 F HN 0.100 nan 8.300 nan 0.000 0.508 579 R N -0.859 119.448 120.500 -0.321 0.000 2.117 579 R HA -0.250 4.097 4.340 0.011 0.000 0.243 579 R C 1.022 177.101 176.300 -0.369 0.000 1.143 579 R CA 1.935 57.767 56.100 -0.448 0.000 0.968 579 R CB -1.187 28.599 30.300 -0.857 0.000 0.863 579 R HN 0.325 nan 8.270 nan 0.000 0.444 580 Y N 0.924 121.105 120.300 -0.198 0.000 2.497 580 Y HA -0.109 4.446 4.550 0.008 0.000 0.292 580 Y C 2.450 178.344 175.900 -0.010 0.000 1.137 580 Y CA 1.298 59.334 58.100 -0.106 0.000 1.285 580 Y CB -0.054 38.340 38.460 -0.110 0.000 0.991 580 Y HN 0.253 nan 8.280 nan 0.000 0.556 581 E N -0.287 120.010 120.200 0.161 0.000 2.140 581 E HA -0.076 4.280 4.350 0.011 0.000 0.191 581 E C 2.089 178.832 176.600 0.238 0.000 0.973 581 E CA 1.298 57.808 56.400 0.184 0.000 0.829 581 E CB -0.225 29.575 29.700 0.167 0.000 0.781 581 E HN 0.124 nan 8.360 nan 0.000 0.466 582 S N 0.515 116.292 115.700 0.128 0.000 2.382 582 S HA -0.134 4.343 4.470 0.011 0.000 0.228 582 S C 1.695 176.398 174.600 0.172 0.000 1.027 582 S CA 1.016 59.285 58.200 0.115 0.000 0.991 582 S CB -0.397 62.760 63.200 -0.071 0.000 0.823 582 S HN 0.260 nan 8.310 nan 0.000 0.469 583 L N 1.536 122.777 121.223 0.030 0.000 2.349 583 L HA -0.053 4.294 4.340 0.011 0.000 0.220 583 L C 1.461 178.526 176.870 0.324 0.000 1.130 583 L CA 1.563 56.441 54.840 0.065 0.000 0.791 583 L CB -0.374 41.680 42.059 -0.008 0.000 0.918 583 L HN 0.165 nan 8.230 nan 0.000 0.444 584 K N -1.263 119.270 120.400 0.223 0.000 2.437 584 K HA 0.146 4.472 4.320 0.011 0.000 0.198 584 K C -0.439 176.037 176.600 -0.206 0.000 1.024 584 K CA 0.071 56.378 56.287 0.032 0.000 1.148 584 K CB 0.024 32.474 32.500 -0.083 0.000 0.860 584 K HN 0.340 nan 8.250 nan 0.000 0.515 585 H N -0.287 118.938 119.070 0.258 0.000 2.854 585 H HA 0.124 4.691 4.556 0.017 0.000 0.275 585 H C -2.341 173.175 175.328 0.312 0.000 1.198 585 H CA -1.921 54.250 56.048 0.206 0.000 1.489 585 H CB 1.651 31.504 29.762 0.152 0.000 1.519 585 H HN -0.117 nan 8.280 nan 0.000 0.503 586 P HA -0.153 nan 4.420 nan 0.000 0.217 586 P C 1.139 178.527 177.300 0.147 0.000 1.148 586 P CA 1.386 64.452 63.100 -0.057 0.000 0.828 586 P CB 0.346 31.948 31.700 -0.163 0.000 0.783 587 K N -1.192 119.316 120.400 0.180 0.000 2.551 587 K HA 0.149 4.475 4.320 0.011 0.000 0.192 587 K C 1.548 178.284 176.600 0.227 0.000 1.027 587 K CA 0.515 56.905 56.287 0.173 0.000 1.059 587 K CB -0.092 32.474 32.500 0.110 0.000 0.831 587 K HN 0.106 nan 8.250 nan 0.000 0.508 588 A N -0.278 122.747 122.820 0.342 0.000 2.085 588 A HA 0.034 4.360 4.320 0.011 0.000 0.208 588 A C 1.222 179.010 177.584 0.340 0.000 1.191 588 A CA 0.014 52.221 52.037 0.283 0.000 0.799 588 A CB -0.166 18.978 19.000 0.240 0.000 0.877 588 A HN 0.136 nan 8.150 nan 0.000 0.473 589 Y N 0.924 121.332 120.300 0.179 0.000 2.062 589 Y HA -0.203 4.353 4.550 0.011 0.000 0.276 589 Y C -0.292 175.779 175.900 0.285 0.000 1.189 589 Y CA 2.488 60.730 58.100 0.236 0.000 1.130 589 Y CB -2.026 36.563 38.460 0.215 0.000 0.959 589 Y HN 0.286 nan 8.280 nan 0.000 0.499 590 P HA -0.174 nan 4.420 nan 0.000 0.214 590 P C 1.506 179.053 177.300 0.412 0.000 1.163 590 P CA 2.180 65.461 63.100 0.302 0.000 0.883 590 P CB -0.034 31.817 31.700 0.252 0.000 0.788 591 K N -0.611 119.948 120.400 0.265 0.000 2.032 591 K HA -0.162 4.164 4.320 0.011 0.000 0.209 591 K C 2.078 178.756 176.600 0.130 0.000 1.048 591 K CA 1.187 57.585 56.287 0.186 0.000 0.927 591 K CB -1.570 31.001 32.500 0.117 0.000 0.712 591 K HN 0.141 nan 8.250 nan 0.000 0.441 592 L N 0.875 122.113 121.223 0.025 0.000 1.989 592 L HA -0.122 4.224 4.340 0.011 0.000 0.211 592 L C 2.187 178.929 176.870 -0.214 0.000 1.071 592 L CA 1.656 56.381 54.840 -0.192 0.000 0.749 592 L CB -0.713 41.041 42.059 -0.508 0.000 0.890 592 L HN 0.012 nan 8.230 nan 0.000 0.431 593 F N -0.376 119.691 119.950 0.194 0.000 2.451 593 F HA -0.062 4.476 4.527 0.017 0.000 0.299 593 F C 2.505 178.603 175.800 0.497 0.000 1.101 593 F CA 0.932 59.141 58.000 0.347 0.000 1.436 593 F CB -0.770 38.460 39.000 0.384 0.000 1.074 593 F HN 0.340 nan 8.300 nan 0.000 0.553 594 S N -1.846 114.166 115.700 0.521 0.000 2.671 594 S HA 0.063 4.539 4.470 0.011 0.000 0.220 594 S C 1.134 175.827 174.600 0.155 0.000 0.951 594 S CA 0.299 58.701 58.200 0.336 0.000 0.932 594 S CB -0.348 62.975 63.200 0.205 0.000 0.777 594 S HN 0.112 nan 8.310 nan 0.000 0.508 595 S N 0.439 116.187 115.700 0.080 0.000 2.603 595 S HA 0.319 4.795 4.470 0.011 0.000 0.232 595 S C 0.127 174.587 174.600 -0.234 0.000 1.016 595 S CA -0.370 57.810 58.200 -0.032 0.000 0.976 595 S CB 0.668 63.881 63.200 0.021 0.000 0.921 595 S HN 0.392 nan 8.310 nan 0.000 0.516 596 V N 3.221 122.916 119.914 -0.364 0.000 2.530 596 V HA 0.183 4.309 4.120 0.011 0.000 0.282 596 V C 0.439 175.978 176.094 -0.926 0.000 1.048 596 V CA -0.249 61.519 62.300 -0.888 0.000 0.997 596 V CB 0.938 32.026 31.823 -1.223 0.000 0.987 596 V HN 0.207 nan 8.190 nan 0.000 0.477 597 K N 4.820 124.683 120.400 -0.895 0.000 2.111 597 K HA 0.065 4.391 4.320 0.011 0.000 0.249 597 K C 0.308 176.588 176.600 -0.533 0.000 1.157 597 K CA 0.117 56.059 56.287 -0.575 0.000 1.048 597 K CB 0.119 32.326 32.500 -0.488 0.000 1.498 597 K HN 0.717 nan 8.250 nan 0.000 0.344 598 W N 0.747 121.889 121.300 -0.262 0.000 2.421 598 W HA -0.082 4.586 4.660 0.013 0.000 0.270 598 W C 1.853 178.174 176.519 -0.329 0.000 1.233 598 W CA 0.288 57.432 57.345 -0.334 0.000 1.226 598 W CB 0.104 29.239 29.460 -0.542 0.000 1.121 598 W HN 0.580 nan 8.180 nan 0.000 0.579 599 G N -0.418 108.327 108.800 -0.092 0.000 3.279 599 G HA2 0.028 3.995 3.960 0.011 0.000 0.230 599 G HA3 0.028 3.995 3.960 0.011 0.000 0.230 599 G C 0.323 175.158 174.900 -0.109 0.000 1.230 599 G CA -0.072 44.970 45.100 -0.097 0.000 0.891 599 G HN -0.046 nan 8.290 nan 0.000 0.518 600 Q N -0.139 119.573 119.800 -0.147 0.000 2.290 600 Q HA 0.178 4.524 4.340 0.011 0.000 0.269 600 Q C 0.715 176.627 176.000 -0.145 0.000 1.016 600 Q CA -0.537 55.179 55.803 -0.144 0.000 0.754 600 Q CB 2.012 30.637 28.738 -0.189 0.000 1.247 600 Q HN 0.386 nan 8.270 nan 0.000 0.451 601 Q N 2.839 122.581 119.800 -0.097 0.000 2.112 601 Q HA -0.221 4.126 4.340 0.011 0.000 0.206 601 Q C 0.654 176.592 176.000 -0.104 0.000 0.987 601 Q CA 2.537 58.289 55.803 -0.085 0.000 0.858 601 Q CB 0.296 29.009 28.738 -0.042 0.000 0.905 601 Q HN 0.654 nan 8.270 nan 0.000 0.420 602 E N -0.156 119.991 120.200 -0.089 0.000 2.106 602 E HA -0.105 4.252 4.350 0.011 0.000 0.192 602 E C 2.046 178.594 176.600 -0.086 0.000 0.984 602 E CA 1.284 57.644 56.400 -0.066 0.000 0.806 602 E CB -0.106 29.571 29.700 -0.039 0.000 0.750 602 E HN 0.479 nan 8.360 nan 0.000 0.458 603 I N 0.521 120.991 120.570 -0.167 0.000 2.353 603 I HA -0.210 3.966 4.170 0.011 0.000 0.248 603 I C 2.231 178.160 176.117 -0.313 0.000 1.119 603 I CA 0.611 61.752 61.300 -0.265 0.000 1.417 603 I CB -0.004 37.686 38.000 -0.517 0.000 1.078 603 I HN -0.027 nan 8.210 nan 0.000 0.421 604 V N 0.948 120.655 119.914 -0.346 0.000 2.427 604 V HA -0.257 3.869 4.120 0.011 0.000 0.248 604 V C 2.704 178.500 176.094 -0.496 0.000 1.051 604 V CA 1.842 63.894 62.300 -0.413 0.000 1.048 604 V CB -0.974 30.692 31.823 -0.262 0.000 0.666 604 V HN 0.476 nan 8.190 nan 0.000 0.456 605 A N 0.070 122.701 122.820 -0.314 0.000 1.908 605 A HA -0.248 4.079 4.320 0.011 0.000 0.218 605 A C 2.273 179.827 177.584 -0.050 0.000 1.181 605 A CA 1.997 53.915 52.037 -0.198 0.000 0.627 605 A CB -0.418 18.533 19.000 -0.083 0.000 0.818 605 A HN 0.557 nan 8.150 nan 0.000 0.445 606 K N -0.854 119.552 120.400 0.010 0.000 2.217 606 K HA -0.048 4.278 4.320 0.011 0.000 0.202 606 K C 1.920 178.608 176.600 0.147 0.000 1.051 606 K CA 1.467 57.820 56.287 0.110 0.000 0.952 606 K CB -0.259 32.361 32.500 0.202 0.000 0.736 606 K HN 0.480 nan 8.250 nan 0.000 0.453 607 T N 0.606 115.251 114.554 0.152 0.000 2.777 607 T HA -0.107 4.249 4.350 0.011 0.000 0.266 607 T C 1.636 176.573 174.700 0.395 0.000 1.040 607 T CA 1.042 63.292 62.100 0.250 0.000 1.141 607 T CB -0.318 68.653 68.868 0.171 0.000 0.868 607 T HN 0.300 nan 8.240 nan 0.000 0.444 608 Y N 1.720 122.104 120.300 0.140 0.000 2.224 608 Y HA -0.188 4.368 4.550 0.010 0.000 0.289 608 Y C 2.936 178.891 175.900 0.092 0.000 1.146 608 Y CA 0.528 58.701 58.100 0.122 0.000 1.182 608 Y CB -0.261 38.270 38.460 0.118 0.000 0.983 608 Y HN 0.304 nan 8.280 nan 0.000 0.524 609 Q N 0.152 120.105 119.800 0.256 0.000 2.170 609 Q HA -0.186 4.160 4.340 0.011 0.000 0.203 609 Q C 2.316 178.399 176.000 0.138 0.000 0.976 609 Q CA 1.125 57.029 55.803 0.168 0.000 0.858 609 Q CB -0.097 28.724 28.738 0.139 0.000 0.907 609 Q HN 0.525 nan 8.270 nan 0.000 0.433 610 L N 0.359 121.638 121.223 0.094 0.000 2.056 610 L HA -0.145 4.201 4.340 0.011 0.000 0.207 610 L C 2.002 178.909 176.870 0.061 0.000 1.078 610 L CA 1.070 55.895 54.840 -0.025 0.000 0.749 610 L CB -0.072 41.883 42.059 -0.173 0.000 0.901 610 L HN 0.325 nan 8.230 nan 0.000 0.433 611 L N -0.386 120.916 121.223 0.132 0.000 2.362 611 L HA -0.109 4.237 4.340 0.011 0.000 0.219 611 L C 2.394 179.314 176.870 0.083 0.000 1.134 611 L CA 0.665 55.568 54.840 0.104 0.000 0.807 611 L CB -0.390 41.712 42.059 0.073 0.000 0.927 611 L HN 0.255 nan 8.230 nan 0.000 0.447 612 A N -0.594 122.285 122.820 0.098 0.000 2.235 612 A HA 0.006 4.332 4.320 0.011 0.000 0.208 612 A C 1.300 178.944 177.584 0.101 0.000 1.172 612 A CA 0.374 52.464 52.037 0.089 0.000 0.786 612 A CB -0.186 18.870 19.000 0.092 0.000 0.804 612 A HN 0.242 nan 8.150 nan 0.000 0.479 613 R N -0.362 120.209 120.500 0.118 0.000 2.935 613 R HA 0.239 4.585 4.340 0.011 0.000 0.354 613 R C 0.886 177.280 176.300 0.156 0.000 1.206 613 R CA -0.266 55.916 56.100 0.135 0.000 1.082 613 R CB -0.256 30.146 30.300 0.170 0.000 1.431 613 R HN 0.491 nan 8.270 nan 0.000 0.582 614 R N 1.401 121.998 120.500 0.161 0.000 2.083 614 R HA -0.173 4.174 4.340 0.011 0.000 0.237 614 R C 1.010 177.462 176.300 0.253 0.000 1.137 614 R CA 1.480 57.717 56.100 0.229 0.000 0.951 614 R CB 0.168 30.591 30.300 0.206 0.000 0.851 614 R HN 0.206 nan 8.270 nan 0.000 0.434 615 E N -0.649 119.653 120.200 0.170 0.000 2.950 615 E HA -0.387 3.969 4.350 0.011 0.000 0.208 615 E C 1.668 178.346 176.600 0.131 0.000 0.906 615 E CA 2.541 59.018 56.400 0.129 0.000 1.607 615 E CB -1.106 28.657 29.700 0.105 0.000 1.582 615 E HN 0.256 nan 8.360 nan 0.000 0.440 616 V N 0.851 120.858 119.914 0.156 0.000 2.332 616 V HA -0.243 3.883 4.120 0.011 0.000 0.248 616 V C 2.119 178.283 176.094 0.118 0.000 1.055 616 V CA 2.318 64.692 62.300 0.122 0.000 1.038 616 V CB -0.678 31.233 31.823 0.145 0.000 0.651 616 V HN 0.450 nan 8.190 nan 0.000 0.450 617 W N 1.123 122.443 121.300 0.033 0.000 2.381 617 W HA -0.156 4.509 4.660 0.010 0.000 0.301 617 W C 2.089 178.572 176.519 -0.059 0.000 1.205 617 W CA 1.791 59.097 57.345 -0.066 0.000 1.285 617 W CB -0.269 29.206 29.460 0.026 0.000 1.133 617 W HN 0.345 nan 8.180 nan 0.000 0.521 618 D N 0.205 120.672 120.400 0.112 0.000 2.218 618 D HA -0.193 4.454 4.640 0.011 0.000 0.204 618 D C 1.858 178.086 176.300 -0.120 0.000 0.976 618 D CA 1.509 55.505 54.000 -0.007 0.000 0.853 618 D CB -0.243 40.609 40.800 0.087 0.000 0.939 618 D HN 0.484 nan 8.370 nan 0.000 0.481 619 Q N 0.242 119.979 119.800 -0.106 0.000 2.384 619 Q HA 0.054 4.401 4.340 0.011 0.000 0.207 619 Q C 0.688 176.585 176.000 -0.171 0.000 0.904 619 Q CA -0.165 55.572 55.803 -0.111 0.000 0.933 619 Q CB 0.534 29.238 28.738 -0.056 0.000 1.077 619 Q HN 0.072 nan 8.270 nan 0.000 0.522 620 S N 0.721 116.263 115.700 -0.264 0.000 2.560 620 S HA 0.386 4.863 4.470 0.011 0.000 0.284 620 S C 0.355 174.774 174.600 -0.303 0.000 1.327 620 S CA -0.556 57.467 58.200 -0.295 0.000 1.055 620 S CB 1.033 63.984 63.200 -0.415 0.000 0.868 620 S HN 0.259 nan 8.310 nan 0.000 0.506 621 A N 3.215 125.902 122.820 -0.222 0.000 2.524 621 A HA 0.350 4.677 4.320 0.011 0.000 0.250 621 A C 0.387 177.829 177.584 -0.238 0.000 1.078 621 A CA -0.584 51.341 52.037 -0.186 0.000 0.761 621 A CB -0.502 18.419 19.000 -0.132 0.000 1.012 621 A HN 1.311 nan 8.150 nan 0.000 0.500 622 L N 2.706 123.793 121.223 -0.228 0.000 2.640 622 L HA 0.070 4.417 4.340 0.011 0.000 0.280 622 L C 0.012 176.765 176.870 -0.195 0.000 1.229 622 L CA 0.938 55.631 54.840 -0.244 0.000 0.919 622 L CB 0.198 42.151 42.059 -0.176 0.000 1.168 622 L HN 0.679 nan 8.230 nan 0.000 0.496 623 D N 4.179 124.446 120.400 -0.220 0.000 2.469 623 D HA 0.143 4.789 4.640 0.011 0.000 0.251 623 D C 0.848 177.056 176.300 -0.153 0.000 1.173 623 D CA -0.448 53.460 54.000 -0.153 0.000 0.882 623 D CB 1.650 42.366 40.800 -0.139 0.000 1.129 623 D HN 0.496 nan 8.370 nan 0.000 0.549 624 V N 3.880 123.688 119.914 -0.176 0.000 2.332 624 V HA -0.167 3.960 4.120 0.011 0.000 0.248 624 V C 2.544 178.525 176.094 -0.187 0.000 1.055 624 V CA 2.309 64.443 62.300 -0.277 0.000 1.038 624 V CB -0.582 30.916 31.823 -0.542 0.000 0.651 624 V HN 0.709 nan 8.190 nan 0.000 0.450 625 G N -0.435 108.306 108.800 -0.098 0.000 2.459 625 G HA2 -0.253 3.714 3.960 0.011 0.000 0.217 625 G HA3 -0.253 3.714 3.960 0.011 0.000 0.217 625 G C 1.648 176.540 174.900 -0.013 0.000 1.183 625 G CA 1.108 46.190 45.100 -0.030 0.000 0.776 625 G HN 0.436 nan 8.290 nan 0.000 0.552 626 L N 0.292 121.509 121.223 -0.010 0.000 2.012 626 L HA -0.124 4.222 4.340 0.011 0.000 0.210 626 L C 3.269 180.169 176.870 0.050 0.000 1.073 626 L CA 1.840 56.703 54.840 0.038 0.000 0.748 626 L CB -0.574 41.509 42.059 0.040 0.000 0.891 626 L HN 0.251 nan 8.230 nan 0.000 0.431 627 T N -0.389 114.169 114.554 0.006 0.000 2.622 627 T HA -0.245 4.112 4.350 0.011 0.000 0.266 627 T C 1.932 176.614 174.700 -0.029 0.000 1.047 627 T CA 1.530 63.634 62.100 0.007 0.000 1.159 627 T CB -0.169 68.655 68.868 -0.074 0.000 0.863 627 T HN 0.171 nan 8.240 nan 0.000 0.422 628 M N 1.553 121.123 119.600 -0.050 0.000 2.144 628 M HA -0.156 4.330 4.480 0.011 0.000 0.260 628 M C 2.334 178.635 176.300 0.003 0.000 1.067 628 M CA 1.600 56.888 55.300 -0.021 0.000 1.095 628 M CB -1.356 31.235 32.600 -0.014 0.000 1.365 628 M HN 0.428 nan 8.290 nan 0.000 0.406 629 Q N 0.048 119.855 119.800 0.012 0.000 2.135 629 Q HA -0.112 4.235 4.340 0.011 0.000 0.204 629 Q C 1.979 177.995 176.000 0.026 0.000 0.981 629 Q CA 1.066 56.903 55.803 0.056 0.000 0.856 629 Q CB -0.376 28.413 28.738 0.084 0.000 0.902 629 Q HN 0.508 nan 8.270 nan 0.000 0.425 630 L N 0.406 121.520 121.223 -0.182 0.000 2.622 630 L HA -0.044 4.303 4.340 0.011 0.000 0.233 630 L C 1.406 178.186 176.870 -0.149 0.000 1.156 630 L CA 0.325 54.864 54.840 -0.503 0.000 0.866 630 L CB 0.030 41.799 42.059 -0.484 0.000 0.980 630 L HN 0.215 nan 8.230 nan 0.000 0.448 631 L N -0.987 120.230 121.223 -0.009 0.000 2.808 631 L HA 0.139 4.486 4.340 0.011 0.000 0.246 631 L C 0.511 177.403 176.870 0.036 0.000 1.153 631 L CA -0.466 54.400 54.840 0.044 0.000 0.956 631 L CB -0.054 42.037 42.059 0.052 0.000 1.270 631 L HN 0.245 nan 8.230 nan 0.000 0.528 632 D N -0.977 119.380 120.400 -0.072 0.000 2.478 632 D HA -0.024 4.623 4.640 0.011 0.000 0.274 632 D C 1.587 177.411 176.300 -0.794 0.000 1.234 632 D CA -0.187 53.442 54.000 -0.618 0.000 1.069 632 D CB 0.313 40.843 40.800 -0.451 0.000 1.113 632 D HN 0.136 nan 8.370 nan 0.000 0.571 633 C N -1.379 117.130 119.300 -1.319 0.000 2.409 633 C HA -0.051 4.416 4.460 0.011 0.000 0.284 633 C C 1.662 176.397 174.990 -0.425 0.000 1.354 633 C CA 0.426 59.043 59.018 -0.669 0.000 1.787 633 C CB -1.943 25.540 27.740 -0.430 0.000 1.900 633 C HN 0.563 nan 8.230 nan 0.000 0.520 634 N N -0.651 117.736 118.700 -0.522 0.000 2.515 634 N HA 0.178 4.924 4.740 0.011 0.000 0.185 634 N C -0.643 174.198 175.510 -1.114 0.000 1.109 634 N CA 0.484 53.078 53.050 -0.760 0.000 0.903 634 N CB 0.010 37.974 38.487 -0.872 0.000 0.969 634 N HN 0.577 nan 8.380 nan 0.000 0.450 635 F N -0.806 119.011 119.950 -0.221 0.000 2.496 635 F HA 0.345 4.877 4.527 0.008 0.000 0.341 635 F C 0.499 176.090 175.800 -0.349 0.000 1.134 635 F CA -0.836 57.011 58.000 -0.255 0.000 0.968 635 F CB 1.872 40.773 39.000 -0.166 0.000 1.205 635 F HN -0.193 nan 8.300 nan 0.000 0.436 636 S N 0.327 115.735 115.700 -0.486 0.000 2.540 636 S HA -0.012 4.464 4.470 0.011 0.000 0.218 636 S C -0.038 174.318 174.600 -0.406 0.000 0.977 636 S CA -0.291 57.592 58.200 -0.528 0.000 0.918 636 S CB -0.320 62.339 63.200 -0.903 0.000 0.806 636 S HN 0.669 nan 8.310 nan 0.000 0.496 637 D N 1.905 122.078 120.400 -0.379 0.000 2.312 637 D HA 0.097 4.743 4.640 0.011 0.000 0.252 637 D C 1.215 177.462 176.300 -0.088 0.000 1.150 637 D CA -0.154 53.714 54.000 -0.219 0.000 0.870 637 D CB 0.738 41.336 40.800 -0.335 0.000 1.153 637 D HN 0.175 nan 8.370 nan 0.000 0.457 638 E N 3.402 123.594 120.200 -0.014 0.000 2.085 638 E HA -0.295 4.061 4.350 0.011 0.000 0.194 638 E C 0.729 177.290 176.600 -0.066 0.000 0.994 638 E CA 1.131 57.524 56.400 -0.011 0.000 0.801 638 E CB 0.107 29.823 29.700 0.026 0.000 0.743 638 E HN 0.499 nan 8.360 nan 0.000 0.453 639 N N 0.486 119.121 118.700 -0.108 0.000 2.216 639 N HA -0.104 4.643 4.740 0.011 0.000 0.183 639 N C 2.022 177.399 175.510 -0.222 0.000 1.017 639 N CA 1.071 54.004 53.050 -0.194 0.000 0.861 639 N CB -0.278 37.980 38.487 -0.383 0.000 0.986 639 N HN 0.078 nan 8.380 nan 0.000 0.428 640 V N 1.881 121.665 119.914 -0.217 0.000 2.343 640 V HA -0.176 3.950 4.120 0.011 0.000 0.247 640 V C 2.351 178.222 176.094 -0.372 0.000 1.051 640 V CA 1.526 63.577 62.300 -0.415 0.000 1.036 640 V CB -0.344 31.271 31.823 -0.347 0.000 0.654 640 V HN 0.258 nan 8.190 nan 0.000 0.451 641 R N -0.086 120.283 120.500 -0.219 0.000 2.090 641 R HA -0.037 4.310 4.340 0.011 0.000 0.228 641 R C 2.435 178.656 176.300 -0.130 0.000 1.110 641 R CA 1.241 57.246 56.100 -0.157 0.000 0.973 641 R CB -0.561 29.695 30.300 -0.073 0.000 0.869 641 R HN 0.522 nan 8.270 nan 0.000 0.440 642 A N 2.060 124.809 122.820 -0.119 0.000 1.908 642 A HA -0.191 4.136 4.320 0.011 0.000 0.218 642 A C 2.233 179.771 177.584 -0.077 0.000 1.181 642 A CA 1.764 53.752 52.037 -0.081 0.000 0.627 642 A CB -0.698 18.257 19.000 -0.074 0.000 0.818 642 A HN 0.479 nan 8.150 nan 0.000 0.445 643 I N -2.743 117.746 120.570 -0.136 0.000 2.493 643 I HA -0.012 4.164 4.170 0.011 0.000 0.254 643 I C 2.325 178.501 176.117 0.098 0.000 1.160 643 I CA 1.384 62.649 61.300 -0.059 0.000 1.445 643 I CB -0.459 37.313 38.000 -0.381 0.000 1.086 643 I HN 0.171 nan 8.210 nan 0.000 0.433 644 A N 1.493 124.294 122.820 -0.031 0.000 1.855 644 A HA -0.071 4.255 4.320 0.011 0.000 0.215 644 A C 2.418 179.984 177.584 -0.029 0.000 1.191 644 A CA 2.063 54.123 52.037 0.038 0.000 0.613 644 A CB -1.186 17.772 19.000 -0.070 0.000 0.829 644 A HN 0.316 nan 8.150 nan 0.000 0.442 645 V N 0.567 120.425 119.914 -0.093 0.000 2.332 645 V HA -0.335 3.791 4.120 0.011 0.000 0.248 645 V C 2.750 178.721 176.094 -0.206 0.000 1.055 645 V CA 2.304 64.481 62.300 -0.205 0.000 1.038 645 V CB -0.843 30.897 31.823 -0.138 0.000 0.651 645 V HN 0.776 nan 8.190 nan 0.000 0.450 646 Q N -0.169 119.596 119.800 -0.059 0.000 2.197 646 Q HA -0.318 4.029 4.340 0.011 0.000 0.207 646 Q C 2.145 178.119 176.000 -0.044 0.000 0.984 646 Q CA 1.936 57.731 55.803 -0.013 0.000 0.869 646 Q CB 0.012 28.799 28.738 0.082 0.000 0.906 646 Q HN 0.455 nan 8.270 nan 0.000 0.426 647 K N 0.152 120.523 120.400 -0.049 0.000 2.186 647 K HA 0.093 4.419 4.320 0.011 0.000 0.202 647 K C 1.879 178.375 176.600 -0.173 0.000 1.052 647 K CA 0.438 56.650 56.287 -0.125 0.000 0.965 647 K CB -0.041 32.368 32.500 -0.153 0.000 0.746 647 K HN 0.217 nan 8.250 nan 0.000 0.457 648 L N 1.074 122.133 121.223 -0.274 0.000 2.362 648 L HA -0.120 4.227 4.340 0.011 0.000 0.219 648 L C 1.525 178.211 176.870 -0.306 0.000 1.134 648 L CA 0.928 55.538 54.840 -0.384 0.000 0.807 648 L CB -0.339 41.255 42.059 -0.776 0.000 0.927 648 L HN 0.261 nan 8.230 nan 0.000 0.447 649 E N 0.032 120.089 120.200 -0.237 0.000 2.265 649 E HA -0.168 4.189 4.350 0.011 0.000 0.196 649 E C 2.198 178.860 176.600 0.103 0.000 0.996 649 E CA 1.475 57.903 56.400 0.046 0.000 0.832 649 E CB 0.007 29.732 29.700 0.041 0.000 0.756 649 E HN 0.569 nan 8.360 nan 0.000 0.491 650 S N 0.319 116.033 115.700 0.024 0.000 2.470 650 S HA 0.026 4.502 4.470 0.011 0.000 0.225 650 S C 1.216 175.852 174.600 0.061 0.000 1.006 650 S CA -0.177 58.039 58.200 0.028 0.000 0.934 650 S CB -0.275 62.907 63.200 -0.029 0.000 0.778 650 S HN 0.067 nan 8.310 nan 0.000 0.517 651 L N 3.169 124.445 121.223 0.090 0.000 2.525 651 L HA 0.110 4.456 4.340 0.011 0.000 0.278 651 L C 0.805 177.769 176.870 0.157 0.000 1.218 651 L CA -0.109 54.808 54.840 0.129 0.000 0.878 651 L CB 0.242 42.410 42.059 0.183 0.000 1.127 651 L HN 0.533 nan 8.230 nan 0.000 0.492 652 E N 1.572 121.855 120.200 0.138 0.000 2.349 652 E HA 0.069 4.426 4.350 0.011 0.000 0.262 652 E C -0.124 176.578 176.600 0.169 0.000 1.088 652 E CA -0.852 55.631 56.400 0.137 0.000 0.899 652 E CB 0.899 30.668 29.700 0.114 0.000 1.044 652 E HN 0.465 nan 8.360 nan 0.000 0.420 653 D N 1.262 121.756 120.400 0.156 0.000 2.200 653 D HA -0.254 4.393 4.640 0.011 0.000 0.192 653 D C 1.253 177.667 176.300 0.190 0.000 1.008 653 D CA 1.974 56.065 54.000 0.151 0.000 0.872 653 D CB -0.302 40.581 40.800 0.139 0.000 0.923 653 D HN 0.684 nan 8.370 nan 0.000 0.447 654 D N -0.284 120.267 120.400 0.252 0.000 2.182 654 D HA -0.129 4.518 4.640 0.011 0.000 0.201 654 D C 1.318 177.830 176.300 0.354 0.000 0.986 654 D CA 1.050 55.260 54.000 0.349 0.000 0.847 654 D CB 0.081 41.087 40.800 0.343 0.000 0.942 654 D HN 0.117 nan 8.370 nan 0.000 0.467 655 D N -0.886 119.690 120.400 0.292 0.000 2.216 655 D HA -0.036 4.610 4.640 0.011 0.000 0.208 655 D C 2.248 178.773 176.300 0.374 0.000 0.960 655 D CA 0.244 54.443 54.000 0.331 0.000 0.861 655 D CB -0.034 40.928 40.800 0.270 0.000 0.985 655 D HN 0.116 nan 8.370 nan 0.000 0.493 656 V N 1.467 121.559 119.914 0.296 0.000 2.392 656 V HA -0.213 3.913 4.120 0.011 0.000 0.249 656 V C 2.597 178.821 176.094 0.216 0.000 1.059 656 V CA 1.151 63.621 62.300 0.283 0.000 1.051 656 V CB -0.355 31.587 31.823 0.198 0.000 0.658 656 V HN 0.200 nan 8.190 nan 0.000 0.455 657 L N -1.269 120.037 121.223 0.139 0.000 2.141 657 L HA -0.171 4.176 4.340 0.011 0.000 0.209 657 L C 2.442 179.280 176.870 -0.054 0.000 1.094 657 L CA 1.439 56.283 54.840 0.007 0.000 0.763 657 L CB -0.508 41.504 42.059 -0.078 0.000 0.908 657 L HN 0.401 nan 8.230 nan 0.000 0.437 658 H N -1.883 117.148 119.070 -0.065 0.000 2.389 658 H HA -0.138 4.425 4.556 0.011 0.000 0.299 658 H C 0.967 176.023 175.328 -0.453 0.000 1.081 658 H CA 1.837 57.703 56.048 -0.304 0.000 1.345 658 H CB 0.182 29.649 29.762 -0.493 0.000 1.393 658 H HN 0.290 nan 8.280 nan 0.000 0.520 659 Y N -1.357 119.042 120.300 0.165 0.000 2.481 659 Y HA 0.081 4.638 4.550 0.011 0.000 0.247 659 Y C 1.595 177.560 175.900 0.108 0.000 1.151 659 Y CA -0.336 57.829 58.100 0.109 0.000 1.238 659 Y CB 0.311 38.834 38.460 0.106 0.000 1.179 659 Y HN 0.090 nan 8.280 nan 0.000 0.524 660 L N 0.497 121.855 121.223 0.225 0.000 2.021 660 L HA -0.256 4.091 4.340 0.011 0.000 0.215 660 L C 2.166 179.175 176.870 0.231 0.000 1.074 660 L CA 1.798 56.792 54.840 0.256 0.000 0.760 660 L CB -0.736 41.479 42.059 0.259 0.000 0.889 660 L HN 0.365 nan 8.230 nan 0.000 0.433 661 L N -0.796 120.475 121.223 0.080 0.000 2.056 661 L HA -0.216 4.131 4.340 0.011 0.000 0.207 661 L C 2.427 179.218 176.870 -0.131 0.000 1.078 661 L CA 1.777 56.432 54.840 -0.308 0.000 0.749 661 L CB -0.683 40.896 42.059 -0.801 0.000 0.901 661 L HN 0.400 nan 8.230 nan 0.000 0.433 662 Q N -0.631 119.156 119.800 -0.021 0.000 2.119 662 Q HA -0.118 4.228 4.340 0.011 0.000 0.201 662 Q C 2.231 178.287 176.000 0.092 0.000 0.972 662 Q CA 1.820 57.644 55.803 0.036 0.000 0.847 662 Q CB -0.297 28.502 28.738 0.101 0.000 0.903 662 Q HN 0.521 nan 8.270 nan 0.000 0.433 663 L N -0.584 120.729 121.223 0.150 0.000 2.046 663 L HA -0.175 4.172 4.340 0.011 0.000 0.208 663 L C 2.138 179.102 176.870 0.155 0.000 1.077 663 L CA 0.733 55.678 54.840 0.175 0.000 0.747 663 L CB -0.396 41.812 42.059 0.247 0.000 0.896 663 L HN 0.124 nan 8.230 nan 0.000 0.432 664 V N -0.877 119.121 119.914 0.141 0.000 2.358 664 V HA -0.235 3.892 4.120 0.011 0.000 0.246 664 V C 2.528 178.693 176.094 0.118 0.000 1.047 664 V CA 1.362 63.757 62.300 0.159 0.000 1.035 664 V CB -0.474 31.431 31.823 0.138 0.000 0.658 664 V HN 0.456 nan 8.190 nan 0.000 0.452 665 Q N 0.070 119.866 119.800 -0.006 0.000 2.124 665 Q HA -0.131 4.215 4.340 0.011 0.000 0.202 665 Q C 2.395 178.324 176.000 -0.119 0.000 0.977 665 Q CA 1.776 57.526 55.803 -0.088 0.000 0.850 665 Q CB -0.642 28.015 28.738 -0.136 0.000 0.901 665 Q HN 0.651 nan 8.270 nan 0.000 0.429 666 A N 0.383 123.212 122.820 0.015 0.000 2.125 666 A HA -0.080 4.246 4.320 0.011 0.000 0.219 666 A C 2.283 179.869 177.584 0.002 0.000 1.156 666 A CA 0.852 52.959 52.037 0.117 0.000 0.671 666 A CB -0.423 18.717 19.000 0.234 0.000 0.794 666 A HN 0.197 nan 8.150 nan 0.000 0.459 667 V N -0.082 119.807 119.914 -0.042 0.000 2.720 667 V HA -0.235 3.891 4.120 0.011 0.000 0.256 667 V C 2.142 178.031 176.094 -0.342 0.000 1.082 667 V CA 2.139 64.360 62.300 -0.131 0.000 1.101 667 V CB -0.614 31.112 31.823 -0.162 0.000 0.693 667 V HN 0.582 nan 8.190 nan 0.000 0.479 668 K N -0.747 119.314 120.400 -0.565 0.000 2.439 668 K HA 0.023 4.349 4.320 0.011 0.000 0.197 668 K C 1.571 177.781 176.600 -0.650 0.000 1.041 668 K CA 1.017 56.694 56.287 -1.016 0.000 0.970 668 K CB -0.116 31.514 32.500 -1.450 0.000 0.773 668 K HN 0.481 nan 8.250 nan 0.000 0.479 669 F N 1.359 121.199 119.950 -0.183 0.000 2.754 669 F HA 0.059 4.594 4.527 0.013 0.000 0.297 669 F C 0.679 176.413 175.800 -0.110 0.000 1.122 669 F CA -0.356 57.574 58.000 -0.116 0.000 1.400 669 F CB 0.422 39.372 39.000 -0.083 0.000 1.117 669 F HN -0.156 nan 8.300 nan 0.000 0.587 670 E N 2.907 123.120 120.200 0.023 0.000 2.324 670 E HA 0.013 4.369 4.350 0.011 0.000 0.271 670 E C -1.504 175.035 176.600 -0.102 0.000 1.028 670 E CA -1.406 54.981 56.400 -0.022 0.000 0.890 670 E CB 0.558 30.246 29.700 -0.020 0.000 1.004 670 E HN 0.095 nan 8.360 nan 0.000 0.431 671 P HA -0.137 nan 4.420 nan 0.000 0.218 671 P C -0.150 176.747 177.300 -0.672 0.000 1.149 671 P CA 1.355 64.197 63.100 -0.431 0.000 0.817 671 P CB 0.227 31.614 31.700 -0.522 0.000 0.785 672 Y N -2.322 117.888 120.300 -0.150 0.000 2.587 672 Y HA 0.307 4.863 4.550 0.010 0.000 0.337 672 Y C 2.316 178.097 175.900 -0.199 0.000 1.065 672 Y CA -0.854 57.114 58.100 -0.221 0.000 1.126 672 Y CB 0.442 38.830 38.460 -0.120 0.000 1.279 672 Y HN -0.187 nan 8.280 nan 0.000 0.489 673 H N -0.440 118.703 119.070 0.121 0.000 2.293 673 H HA -0.121 4.442 4.556 0.011 0.000 0.300 673 H C 0.135 175.491 175.328 0.046 0.000 1.082 673 H CA 1.564 57.631 56.048 0.032 0.000 1.308 673 H CB -0.001 29.769 29.762 0.013 0.000 1.375 673 H HN 0.537 nan 8.280 nan 0.000 0.495 674 D N 1.346 121.882 120.400 0.226 0.000 2.280 674 D HA 0.167 4.813 4.640 0.011 0.000 0.243 674 D C -0.286 176.093 176.300 0.131 0.000 1.129 674 D CA -0.093 53.998 54.000 0.152 0.000 0.848 674 D CB 0.833 41.723 40.800 0.151 0.000 1.107 674 D HN 0.301 nan 8.370 nan 0.000 0.471 675 S N 1.800 117.561 115.700 0.101 0.000 2.651 675 S HA 0.657 5.133 4.470 0.011 0.000 0.279 675 S C 0.883 175.536 174.600 0.087 0.000 1.148 675 S CA -0.307 57.948 58.200 0.091 0.000 0.837 675 S CB 1.253 64.499 63.200 0.078 0.000 1.138 675 S HN 0.320 nan 8.310 nan 0.000 0.478 676 A N 0.366 123.232 122.820 0.077 0.000 1.933 676 A HA 0.021 4.348 4.320 0.011 0.000 0.218 676 A C 1.998 179.659 177.584 0.130 0.000 1.175 676 A CA 1.698 53.786 52.037 0.085 0.000 0.628 676 A CB -1.030 17.997 19.000 0.045 0.000 0.814 676 A HN 0.984 nan 8.150 nan 0.000 0.444 677 L N -0.194 121.096 121.223 0.112 0.000 2.046 677 L HA -0.048 4.299 4.340 0.011 0.000 0.208 677 L C 2.611 179.602 176.870 0.201 0.000 1.077 677 L CA 2.196 57.135 54.840 0.165 0.000 0.747 677 L CB -0.874 41.253 42.059 0.113 0.000 0.896 677 L HN 0.332 nan 8.230 nan 0.000 0.432 678 A N -0.531 122.367 122.820 0.130 0.000 1.930 678 A HA -0.175 4.151 4.320 0.011 0.000 0.217 678 A C 2.419 180.074 177.584 0.118 0.000 1.175 678 A CA 1.598 53.698 52.037 0.106 0.000 0.627 678 A CB -0.465 18.573 19.000 0.064 0.000 0.815 678 A HN 0.509 nan 8.150 nan 0.000 0.443 679 R N -2.082 118.497 120.500 0.132 0.000 2.090 679 R HA -0.019 4.327 4.340 0.011 0.000 0.228 679 R C 1.999 178.388 176.300 0.148 0.000 1.110 679 R CA 1.280 57.453 56.100 0.120 0.000 0.973 679 R CB -0.471 29.895 30.300 0.110 0.000 0.869 679 R HN 0.577 nan 8.270 nan 0.000 0.440 680 F N 1.955 121.940 119.950 0.059 0.000 2.095 680 F HA -0.186 4.348 4.527 0.012 0.000 0.298 680 F C 1.845 177.692 175.800 0.078 0.000 1.104 680 F CA 1.482 59.521 58.000 0.064 0.000 1.232 680 F CB -0.349 38.687 39.000 0.060 0.000 0.987 680 F HN -0.128 nan 8.300 nan 0.000 0.475 681 L N -0.203 121.015 121.223 -0.007 0.000 2.017 681 L HA -0.241 4.105 4.340 0.011 0.000 0.208 681 L C 2.639 179.464 176.870 -0.075 0.000 1.073 681 L CA 1.047 55.829 54.840 -0.097 0.000 0.745 681 L CB -1.016 41.088 42.059 0.075 0.000 0.894 681 L HN 0.274 nan 8.230 nan 0.000 0.432 682 L N 0.395 121.630 121.223 0.021 0.000 2.043 682 L HA -0.273 4.074 4.340 0.011 0.000 0.212 682 L C 2.485 179.397 176.870 0.069 0.000 1.075 682 L CA 2.048 56.940 54.840 0.086 0.000 0.752 682 L CB -0.406 41.708 42.059 0.091 0.000 0.891 682 L HN 0.361 nan 8.230 nan 0.000 0.432 683 K N -1.028 119.363 120.400 -0.015 0.000 2.076 683 K HA -0.092 4.235 4.320 0.011 0.000 0.204 683 K C 2.028 178.588 176.600 -0.067 0.000 1.051 683 K CA 0.632 56.901 56.287 -0.029 0.000 0.949 683 K CB 0.023 32.510 32.500 -0.022 0.000 0.726 683 K HN 0.212 nan 8.250 nan 0.000 0.443 684 R N 0.237 120.609 120.500 -0.213 0.000 2.115 684 R HA -0.023 4.323 4.340 0.011 0.000 0.230 684 R C 2.287 178.572 176.300 -0.025 0.000 1.111 684 R CA 1.244 57.234 56.100 -0.183 0.000 0.976 684 R CB -0.984 29.083 30.300 -0.389 0.000 0.870 684 R HN 0.345 nan 8.270 nan 0.000 0.445 685 G N 0.739 109.544 108.800 0.009 0.000 2.402 685 G HA2 -0.165 3.802 3.960 0.011 0.000 0.216 685 G HA3 -0.165 3.802 3.960 0.011 0.000 0.216 685 G C 1.571 176.695 174.900 0.375 0.000 1.162 685 G CA 0.129 45.291 45.100 0.103 0.000 0.777 685 G HN 0.197 nan 8.290 nan 0.000 0.539 686 L N -0.287 121.148 121.223 0.353 0.000 2.141 686 L HA 0.059 4.405 4.340 0.011 0.000 0.209 686 L C 2.815 179.766 176.870 0.135 0.000 1.094 686 L CA 0.753 55.738 54.840 0.243 0.000 0.763 686 L CB -0.184 41.909 42.059 0.057 0.000 0.908 686 L HN 0.166 nan 8.230 nan 0.000 0.437 687 R N 0.104 120.674 120.500 0.117 0.000 2.276 687 R HA -0.029 4.318 4.340 0.011 0.000 0.203 687 R C 0.262 176.717 176.300 0.259 0.000 1.017 687 R CA 0.371 56.533 56.100 0.103 0.000 1.010 687 R CB 0.251 30.585 30.300 0.057 0.000 0.900 687 R HN 0.242 nan 8.270 nan 0.000 0.469 688 N N 0.143 119.028 118.700 0.308 0.000 2.537 688 N HA 0.042 4.788 4.740 0.011 0.000 0.281 688 N C -0.505 175.116 175.510 0.186 0.000 1.097 688 N CA -0.290 52.908 53.050 0.247 0.000 0.964 688 N CB 1.592 40.161 38.487 0.136 0.000 1.588 688 N HN -0.121 nan 8.380 nan 0.000 0.511 689 K N 1.773 122.198 120.400 0.042 0.000 2.063 689 K HA -0.153 4.174 4.320 0.011 0.000 0.208 689 K C 1.719 178.256 176.600 -0.106 0.000 1.048 689 K CA 1.273 57.495 56.287 -0.109 0.000 0.928 689 K CB 0.224 32.467 32.500 -0.428 0.000 0.713 689 K HN 0.482 nan 8.250 nan 0.000 0.442 690 R N 1.154 121.563 120.500 -0.150 0.000 2.070 690 R HA -0.082 4.264 4.340 0.011 0.000 0.233 690 R C 2.257 178.582 176.300 0.041 0.000 1.137 690 R CA 1.303 57.322 56.100 -0.135 0.000 0.945 690 R CB -0.207 29.941 30.300 -0.253 0.000 0.845 690 R HN 0.115 nan 8.270 nan 0.000 0.430 691 I N 0.116 120.702 120.570 0.026 0.000 2.226 691 I HA -0.195 3.981 4.170 0.011 0.000 0.245 691 I C 2.431 178.557 176.117 0.014 0.000 1.100 691 I CA 1.434 62.762 61.300 0.047 0.000 1.374 691 I CB -0.624 37.389 38.000 0.021 0.000 1.057 691 I HN 0.453 nan 8.210 nan 0.000 0.413 692 G N -0.102 108.716 108.800 0.030 0.000 2.476 692 G HA2 -0.379 3.588 3.960 0.011 0.000 0.218 692 G HA3 -0.379 3.588 3.960 0.011 0.000 0.218 692 G C 1.467 176.306 174.900 -0.101 0.000 1.164 692 G CA 1.499 46.560 45.100 -0.066 0.000 0.768 692 G HN 0.440 nan 8.290 nan 0.000 0.560 693 H N 0.004 119.070 119.070 -0.007 0.000 2.289 693 H HA -0.078 4.485 4.556 0.011 0.000 0.296 693 H C 2.281 177.542 175.328 -0.111 0.000 1.091 693 H CA 2.087 58.133 56.048 -0.002 0.000 1.274 693 H CB -0.410 29.167 29.762 -0.307 0.000 1.364 693 H HN 0.377 nan 8.280 nan 0.000 0.490 694 F N -0.623 119.229 119.950 -0.163 0.000 2.146 694 F HA -0.122 4.412 4.527 0.011 0.000 0.298 694 F C 2.440 177.819 175.800 -0.702 0.000 1.096 694 F CA 0.696 58.370 58.000 -0.543 0.000 1.275 694 F CB -0.453 38.150 39.000 -0.662 0.000 1.008 694 F HN 0.224 nan 8.300 nan 0.000 0.480 695 L N 0.004 121.057 121.223 -0.283 0.000 2.051 695 L HA -0.282 4.065 4.340 0.011 0.000 0.214 695 L C 2.174 178.830 176.870 -0.356 0.000 1.076 695 L CA 1.691 56.369 54.840 -0.271 0.000 0.758 695 L CB -1.216 40.618 42.059 -0.376 0.000 0.890 695 L HN 0.203 nan 8.230 nan 0.000 0.433 696 F N -0.999 118.557 119.950 -0.657 0.000 2.046 696 F HA -0.276 4.257 4.527 0.011 0.000 0.297 696 F C 2.003 177.390 175.800 -0.688 0.000 1.123 696 F CA 2.124 59.635 58.000 -0.816 0.000 1.199 696 F CB -0.803 37.451 39.000 -1.242 0.000 0.972 696 F HN 0.127 nan 8.300 nan 0.000 0.474 697 W N -0.086 121.059 121.300 -0.259 0.000 2.358 697 W HA -0.167 4.500 4.660 0.010 0.000 0.303 697 W C 2.566 179.050 176.519 -0.060 0.000 1.208 697 W CA 1.564 58.797 57.345 -0.186 0.000 1.274 697 W CB -0.860 28.564 29.460 -0.061 0.000 1.138 697 W HN 0.045 nan 8.180 nan 0.000 0.515 698 F N -0.225 119.746 119.950 0.034 0.000 2.134 698 F HA -0.258 4.276 4.527 0.011 0.000 0.299 698 F C 2.150 177.795 175.800 -0.259 0.000 1.097 698 F CA 0.637 58.594 58.000 -0.070 0.000 1.264 698 F CB -0.845 38.132 39.000 -0.039 0.000 1.001 698 F HN -0.172 nan 8.300 nan 0.000 0.479 699 L N -0.216 120.926 121.223 -0.135 0.000 2.056 699 L HA -0.177 4.170 4.340 0.011 0.000 0.207 699 L C 2.532 179.196 176.870 -0.342 0.000 1.078 699 L CA 1.093 55.762 54.840 -0.286 0.000 0.749 699 L CB -0.590 41.349 42.059 -0.200 0.000 0.901 699 L HN 0.045 nan 8.230 nan 0.000 0.433 700 R N -0.488 119.754 120.500 -0.430 0.000 2.148 700 R HA -0.160 4.186 4.340 0.011 0.000 0.227 700 R C 2.585 178.776 176.300 -0.181 0.000 1.103 700 R CA 1.327 57.181 56.100 -0.411 0.000 0.983 700 R CB -0.088 29.771 30.300 -0.735 0.000 0.874 700 R HN 0.233 nan 8.270 nan 0.000 0.451 701 S N 0.274 115.917 115.700 -0.095 0.000 2.368 701 S HA -0.120 4.357 4.470 0.011 0.000 0.225 701 S C 1.590 176.117 174.600 -0.121 0.000 1.030 701 S CA 1.124 59.307 58.200 -0.029 0.000 0.999 701 S CB -0.003 63.217 63.200 0.033 0.000 0.844 701 S HN 0.316 nan 8.310 nan 0.000 0.459 702 E N 0.892 120.943 120.200 -0.248 0.000 2.076 702 E HA 0.052 4.408 4.350 0.011 0.000 0.190 702 E C 2.074 178.578 176.600 -0.161 0.000 0.979 702 E CA 0.779 57.004 56.400 -0.291 0.000 0.807 702 E CB -0.467 28.823 29.700 -0.684 0.000 0.761 702 E HN 0.602 nan 8.360 nan 0.000 0.454 703 I N 1.248 121.720 120.570 -0.163 0.000 2.454 703 I HA -0.239 3.937 4.170 0.011 0.000 0.254 703 I C 2.272 178.361 176.117 -0.046 0.000 1.156 703 I CA 1.110 62.351 61.300 -0.098 0.000 1.433 703 I CB -0.159 37.771 38.000 -0.115 0.000 1.082 703 I HN -0.016 nan 8.210 nan 0.000 0.432 704 A N -0.094 122.702 122.820 -0.040 0.000 2.021 704 A HA -0.089 4.238 4.320 0.011 0.000 0.216 704 A C 1.989 179.582 177.584 0.015 0.000 1.163 704 A CA 0.897 52.938 52.037 0.007 0.000 0.676 704 A CB -0.123 18.887 19.000 0.017 0.000 0.818 704 A HN 0.554 nan 8.150 nan 0.000 0.453 705 Q N -1.300 118.496 119.800 -0.006 0.000 2.164 705 Q HA 0.240 4.586 4.340 0.011 0.000 0.226 705 Q C 0.172 176.184 176.000 0.019 0.000 0.813 705 Q CA 0.296 56.101 55.803 0.004 0.000 0.978 705 Q CB 0.632 29.357 28.738 -0.021 0.000 1.149 705 Q HN 0.329 nan 8.270 nan 0.000 0.489 706 S N 1.156 116.869 115.700 0.022 0.000 2.516 706 S HA 0.263 4.739 4.470 0.011 0.000 0.268 706 S C 0.758 175.398 174.600 0.067 0.000 1.251 706 S CA -0.647 57.593 58.200 0.066 0.000 1.153 706 S CB 0.336 63.589 63.200 0.088 0.000 1.009 706 S HN 0.186 nan 8.310 nan 0.000 0.479 707 R N 2.177 122.714 120.500 0.062 0.000 2.159 707 R HA -0.119 4.227 4.340 0.011 0.000 0.237 707 R C 0.933 177.182 176.300 -0.084 0.000 1.131 707 R CA 1.607 57.734 56.100 0.045 0.000 0.982 707 R CB -0.574 29.816 30.300 0.151 0.000 0.868 707 R HN 0.732 nan 8.270 nan 0.000 0.453 708 H N -1.423 117.436 119.070 -0.351 0.000 2.423 708 H HA -0.081 4.482 4.556 0.011 0.000 0.297 708 H C 0.600 175.558 175.328 -0.616 0.000 1.075 708 H CA 1.300 56.941 56.048 -0.678 0.000 1.342 708 H CB 0.008 29.222 29.762 -0.913 0.000 1.395 708 H HN 0.276 nan 8.280 nan 0.000 0.530 709 Y N -0.281 120.061 120.300 0.071 0.000 2.672 709 Y HA 0.050 4.607 4.550 0.011 0.000 0.252 709 Y C 1.811 177.778 175.900 0.111 0.000 1.132 709 Y CA -0.379 57.777 58.100 0.094 0.000 1.228 709 Y CB 0.479 39.071 38.460 0.220 0.000 1.310 709 Y HN 0.203 nan 8.280 nan 0.000 0.549 710 Q N 0.336 120.183 119.800 0.079 0.000 2.124 710 Q HA -0.226 4.120 4.340 0.011 0.000 0.202 710 Q C 1.222 177.027 176.000 -0.325 0.000 0.977 710 Q CA 1.831 57.577 55.803 -0.095 0.000 0.850 710 Q CB -0.261 28.333 28.738 -0.240 0.000 0.901 710 Q HN 0.543 nan 8.270 nan 0.000 0.429 711 Q N 0.821 120.395 119.800 -0.377 0.000 1.993 711 Q HA -0.178 4.168 4.340 0.011 0.000 0.202 711 Q C 2.303 178.137 176.000 -0.278 0.000 0.984 711 Q CA 1.787 57.351 55.803 -0.398 0.000 0.837 711 Q CB -0.232 28.367 28.738 -0.233 0.000 0.902 711 Q HN 0.413 nan 8.270 nan 0.000 0.423 712 R N 0.265 120.622 120.500 -0.238 0.000 2.080 712 R HA -0.172 4.175 4.340 0.011 0.000 0.236 712 R C 2.040 178.209 176.300 -0.217 0.000 1.137 712 R CA 1.659 57.597 56.100 -0.270 0.000 0.943 712 R CB -0.332 29.907 30.300 -0.100 0.000 0.846 712 R HN 0.202 nan 8.270 nan 0.000 0.431 713 F N 0.586 120.492 119.950 -0.074 0.000 2.216 713 F HA -0.104 4.429 4.527 0.010 0.000 0.300 713 F C 2.553 178.278 175.800 -0.125 0.000 1.085 713 F CA 0.892 58.839 58.000 -0.090 0.000 1.326 713 F CB -0.207 38.737 39.000 -0.093 0.000 1.027 713 F HN 0.245 nan 8.300 nan 0.000 0.497 714 A N -0.209 122.605 122.820 -0.011 0.000 1.898 714 A HA -0.125 4.202 4.320 0.011 0.000 0.216 714 A C 2.301 179.877 177.584 -0.013 0.000 1.181 714 A CA 1.697 53.711 52.037 -0.038 0.000 0.620 714 A CB -1.147 17.811 19.000 -0.069 0.000 0.819 714 A HN 0.155 nan 8.150 nan 0.000 0.442 715 V N 0.137 120.028 119.914 -0.039 0.000 2.407 715 V HA -0.259 3.867 4.120 0.011 0.000 0.248 715 V C 2.368 178.461 176.094 -0.002 0.000 1.055 715 V CA 2.039 64.322 62.300 -0.029 0.000 1.049 715 V CB -0.624 31.152 31.823 -0.078 0.000 0.662 715 V HN 0.570 nan 8.190 nan 0.000 0.455 716 I N -0.975 119.599 120.570 0.007 0.000 2.286 716 I HA -0.190 3.987 4.170 0.011 0.000 0.245 716 I C 2.321 178.480 176.117 0.071 0.000 1.104 716 I CA 1.191 62.517 61.300 0.044 0.000 1.397 716 I CB -0.236 37.798 38.000 0.057 0.000 1.072 716 I HN 0.246 nan 8.210 nan 0.000 0.417 717 L N 0.875 122.123 121.223 0.041 0.000 2.046 717 L HA -0.241 4.106 4.340 0.011 0.000 0.208 717 L C 2.590 179.491 176.870 0.052 0.000 1.077 717 L CA 1.768 56.616 54.840 0.014 0.000 0.747 717 L CB -0.349 41.643 42.059 -0.113 0.000 0.896 717 L HN 0.385 nan 8.230 nan 0.000 0.432 718 E N 0.102 120.311 120.200 0.016 0.000 2.023 718 E HA -0.281 4.075 4.350 0.011 0.000 0.196 718 E C 2.065 178.678 176.600 0.022 0.000 1.003 718 E CA 1.440 57.840 56.400 0.001 0.000 0.809 718 E CB -0.134 29.561 29.700 -0.008 0.000 0.755 718 E HN 0.519 nan 8.360 nan 0.000 0.449 719 A N 0.253 123.094 122.820 0.036 0.000 1.997 719 A HA -0.247 4.080 4.320 0.011 0.000 0.221 719 A C 2.064 179.667 177.584 0.031 0.000 1.172 719 A CA 1.886 53.944 52.037 0.036 0.000 0.645 719 A CB -0.984 18.041 19.000 0.042 0.000 0.813 719 A HN 0.677 nan 8.150 nan 0.000 0.454 720 Y N -0.025 120.277 120.300 0.004 0.000 2.206 720 Y HA 0.011 4.568 4.550 0.011 0.000 0.292 720 Y C 1.875 177.799 175.900 0.040 0.000 1.123 720 Y CA 1.542 59.651 58.100 0.015 0.000 1.142 720 Y CB -0.343 38.113 38.460 -0.005 0.000 1.006 720 Y HN 0.176 nan 8.280 nan 0.000 0.518 721 L N 0.214 121.342 121.223 -0.158 0.000 2.191 721 L HA -0.196 4.150 4.340 0.011 0.000 0.212 721 L C 2.265 179.086 176.870 -0.082 0.000 1.103 721 L CA 1.326 56.084 54.840 -0.136 0.000 0.769 721 L CB -0.425 41.629 42.059 -0.008 0.000 0.908 721 L HN 0.118 nan 8.230 nan 0.000 0.438 722 R N -0.354 120.124 120.500 -0.036 0.000 2.339 722 R HA 0.003 4.349 4.340 0.011 0.000 0.199 722 R C 1.285 177.580 176.300 -0.007 0.000 1.018 722 R CA 0.691 56.838 56.100 0.079 0.000 1.036 722 R CB 0.001 30.361 30.300 0.099 0.000 0.899 722 R HN 0.371 nan 8.270 nan 0.000 0.473 723 G N -1.057 107.663 108.800 -0.133 0.000 4.399 723 G HA2 -0.053 3.913 3.960 0.011 0.000 0.268 723 G HA3 -0.053 3.913 3.960 0.011 0.000 0.268 723 G C 0.912 175.699 174.900 -0.189 0.000 1.038 723 G CA -0.200 44.816 45.100 -0.140 0.000 0.811 723 G HN 0.391 nan 8.290 nan 0.000 0.408 724 C N -0.671 118.475 119.300 -0.255 0.000 2.464 724 C HA 0.587 5.054 4.460 0.011 0.000 0.278 724 C C 1.451 176.520 174.990 0.131 0.000 1.375 724 C CA 0.179 59.119 59.018 -0.130 0.000 1.761 724 C CB -0.884 26.755 27.740 -0.169 0.000 1.944 724 C HN 1.425 nan 8.230 nan 0.000 0.509 725 G N 0.043 108.888 108.800 0.076 0.000 2.592 725 G HA2 0.172 4.138 3.960 0.011 0.000 0.685 725 G HA3 0.172 4.138 3.960 0.011 0.000 0.685 725 G C 0.232 175.188 174.900 0.094 0.000 1.278 725 G CA 0.247 45.413 45.100 0.110 0.000 0.822 725 G HN 0.837 nan 8.290 nan 0.000 0.652 726 T N -0.812 113.785 114.554 0.072 0.000 2.720 726 T HA 0.050 4.406 4.350 0.011 0.000 0.268 726 T C 2.689 177.435 174.700 0.076 0.000 1.037 726 T CA 2.674 64.818 62.100 0.074 0.000 1.144 726 T CB -0.426 68.464 68.868 0.037 0.000 0.864 726 T HN 2.037 nan 8.240 nan 0.000 0.444 727 A N 2.444 125.291 122.820 0.045 0.000 1.865 727 A HA -0.022 4.305 4.320 0.011 0.000 0.217 727 A C 2.566 180.143 177.584 -0.012 0.000 1.191 727 A CA 2.026 54.078 52.037 0.026 0.000 0.623 727 A CB -0.804 18.187 19.000 -0.014 0.000 0.826 727 A HN 0.411 nan 8.150 nan 0.000 0.444 728 M N -0.522 119.044 119.600 -0.057 0.000 2.082 728 M HA -0.158 4.329 4.480 0.011 0.000 0.258 728 M C 2.272 178.486 176.300 -0.143 0.000 1.069 728 M CA 1.451 56.631 55.300 -0.200 0.000 1.102 728 M CB -1.411 31.191 32.600 0.003 0.000 1.336 728 M HN 0.424 nan 8.290 nan 0.000 0.404 729 L N -1.162 120.120 121.223 0.098 0.000 2.081 729 L HA -0.285 4.062 4.340 0.011 0.000 0.212 729 L C 2.623 179.555 176.870 0.104 0.000 1.080 729 L CA 1.559 56.505 54.840 0.176 0.000 0.754 729 L CB -0.803 41.367 42.059 0.184 0.000 0.893 729 L HN 0.375 nan 8.230 nan 0.000 0.433 730 H N 0.232 119.293 119.070 -0.016 0.000 2.299 730 H HA -0.171 4.391 4.556 0.011 0.000 0.302 730 H C 1.912 177.196 175.328 -0.073 0.000 1.078 730 H CA 1.968 58.000 56.048 -0.025 0.000 1.323 730 H CB -0.058 29.685 29.762 -0.030 0.000 1.381 730 H HN 0.233 nan 8.280 nan 0.000 0.498 731 D N -0.010 120.225 120.400 -0.274 0.000 2.133 731 D HA -0.195 4.452 4.640 0.011 0.000 0.195 731 D C 2.260 178.354 176.300 -0.344 0.000 0.997 731 D CA 1.279 55.058 54.000 -0.369 0.000 0.840 731 D CB -0.672 39.873 40.800 -0.425 0.000 0.947 731 D HN 0.434 nan 8.370 nan 0.000 0.452 732 F N 1.221 121.004 119.950 -0.279 0.000 2.171 732 F HA -0.159 4.375 4.527 0.011 0.000 0.300 732 F C 2.708 178.365 175.800 -0.239 0.000 1.090 732 F CA 0.948 58.676 58.000 -0.452 0.000 1.293 732 F CB -0.428 38.091 39.000 -0.801 0.000 1.013 732 F HN -0.092 nan 8.300 nan 0.000 0.486 733 T N -0.536 114.010 114.554 -0.014 0.000 2.674 733 T HA -0.196 4.160 4.350 0.011 0.000 0.265 733 T C 1.978 176.649 174.700 -0.048 0.000 1.039 733 T CA 1.216 63.306 62.100 -0.016 0.000 1.150 733 T CB -0.301 68.552 68.868 -0.025 0.000 0.864 733 T HN 0.185 nan 8.240 nan 0.000 0.427 734 Q N 1.237 120.948 119.800 -0.150 0.000 2.045 734 Q HA -0.196 4.151 4.340 0.011 0.000 0.206 734 Q C 2.448 178.436 176.000 -0.020 0.000 0.991 734 Q CA 1.749 57.489 55.803 -0.105 0.000 0.851 734 Q CB -0.502 28.145 28.738 -0.151 0.000 0.911 734 Q HN 0.667 nan 8.270 nan 0.000 0.418 735 Q N -0.136 119.695 119.800 0.052 0.000 2.050 735 Q HA -0.107 4.239 4.340 0.011 0.000 0.202 735 Q C 2.340 178.440 176.000 0.166 0.000 0.980 735 Q CA 1.511 57.396 55.803 0.136 0.000 0.840 735 Q CB -0.150 28.835 28.738 0.411 0.000 0.898 735 Q HN 0.152 nan 8.270 nan 0.000 0.424 736 V N 1.047 121.094 119.914 0.222 0.000 2.343 736 V HA -0.305 3.821 4.120 0.011 0.000 0.247 736 V C 2.207 178.361 176.094 0.101 0.000 1.051 736 V CA 1.924 64.360 62.300 0.226 0.000 1.036 736 V CB -0.580 31.349 31.823 0.176 0.000 0.654 736 V HN 0.384 nan 8.190 nan 0.000 0.451 737 Q N -0.737 119.083 119.800 0.033 0.000 2.084 737 Q HA -0.178 4.168 4.340 0.011 0.000 0.202 737 Q C 2.368 178.329 176.000 -0.065 0.000 0.978 737 Q CA 1.874 57.672 55.803 -0.008 0.000 0.844 737 Q CB -0.224 28.505 28.738 -0.015 0.000 0.898 737 Q HN 0.541 nan 8.270 nan 0.000 0.426 738 V N 1.567 121.387 119.914 -0.157 0.000 2.307 738 V HA -0.258 3.868 4.120 0.011 0.000 0.245 738 V C 2.230 178.159 176.094 -0.274 0.000 1.045 738 V CA 1.902 64.016 62.300 -0.311 0.000 1.024 738 V CB -0.620 30.741 31.823 -0.769 0.000 0.651 738 V HN 0.505 nan 8.190 nan 0.000 0.449 739 I N -1.326 119.147 120.570 -0.162 0.000 2.315 739 I HA -0.176 4.000 4.170 0.011 0.000 0.248 739 I C 2.291 178.418 176.117 0.018 0.000 1.117 739 I CA 1.902 63.177 61.300 -0.042 0.000 1.404 739 I CB -0.512 37.615 38.000 0.211 0.000 1.071 739 I HN 0.248 nan 8.210 nan 0.000 0.419 740 E N 1.224 121.450 120.200 0.043 0.000 2.110 740 E HA -0.163 4.193 4.350 0.011 0.000 0.193 740 E C 2.227 178.831 176.600 0.006 0.000 0.988 740 E CA 1.697 58.133 56.400 0.060 0.000 0.804 740 E CB -0.171 29.564 29.700 0.059 0.000 0.745 740 E HN 0.536 nan 8.360 nan 0.000 0.458 741 M N -0.643 118.926 119.600 -0.053 0.000 2.200 741 M HA -0.073 4.413 4.480 0.011 0.000 0.265 741 M C 1.891 178.118 176.300 -0.121 0.000 1.066 741 M CA 1.003 56.261 55.300 -0.069 0.000 1.127 741 M CB 0.003 32.558 32.600 -0.075 0.000 1.379 741 M HN 0.150 nan 8.290 nan 0.000 0.420 742 L N -0.520 120.545 121.223 -0.262 0.000 2.217 742 L HA -0.165 4.181 4.340 0.011 0.000 0.211 742 L C 2.473 179.146 176.870 -0.328 0.000 1.107 742 L CA 0.924 55.481 54.840 -0.473 0.000 0.783 742 L CB -0.508 40.937 42.059 -1.023 0.000 0.919 742 L HN 0.371 nan 8.230 nan 0.000 0.442 743 Q N 0.137 119.901 119.800 -0.060 0.000 2.079 743 Q HA -0.216 4.131 4.340 0.011 0.000 0.200 743 Q C 2.159 178.261 176.000 0.171 0.000 0.974 743 Q CA 1.369 57.355 55.803 0.305 0.000 0.840 743 Q CB -0.017 28.919 28.738 0.330 0.000 0.898 743 Q HN 0.458 nan 8.270 nan 0.000 0.430 744 K N 0.039 120.485 120.400 0.077 0.000 2.057 744 K HA -0.100 4.227 4.320 0.011 0.000 0.206 744 K C 2.110 178.729 176.600 0.032 0.000 1.050 744 K CA 1.102 57.420 56.287 0.051 0.000 0.935 744 K CB -0.032 32.485 32.500 0.028 0.000 0.715 744 K HN -0.006 nan 8.250 nan 0.000 0.439 745 V N 1.267 121.187 119.914 0.010 0.000 2.343 745 V HA -0.246 3.881 4.120 0.011 0.000 0.247 745 V C 2.018 178.132 176.094 0.034 0.000 1.051 745 V CA 2.133 64.436 62.300 0.005 0.000 1.036 745 V CB -0.613 31.194 31.823 -0.027 0.000 0.654 745 V HN 0.407 nan 8.190 nan 0.000 0.451 746 T N 0.263 114.866 114.554 0.081 0.000 2.915 746 T HA -0.047 4.310 4.350 0.011 0.000 0.269 746 T C 1.828 176.556 174.700 0.047 0.000 1.071 746 T CA 1.119 63.296 62.100 0.129 0.000 1.132 746 T CB -0.184 68.868 68.868 0.306 0.000 0.878 746 T HN 0.281 nan 8.240 nan 0.000 0.479 747 L N 1.127 122.362 121.223 0.019 0.000 1.961 747 L HA -0.122 4.225 4.340 0.011 0.000 0.210 747 L C 2.577 179.414 176.870 -0.056 0.000 1.072 747 L CA 1.437 56.233 54.840 -0.073 0.000 0.749 747 L CB -0.736 41.305 42.059 -0.029 0.000 0.889 747 L HN 0.194 nan 8.230 nan 0.000 0.432 748 D N 0.519 120.908 120.400 -0.018 0.000 2.127 748 D HA -0.230 4.417 4.640 0.011 0.000 0.190 748 D C 2.077 178.370 176.300 -0.011 0.000 1.000 748 D CA 1.481 55.474 54.000 -0.012 0.000 0.839 748 D CB -0.443 40.356 40.800 -0.001 0.000 0.955 748 D HN 0.166 nan 8.370 nan 0.000 0.446 749 I N 1.002 121.572 120.570 0.001 0.000 2.151 749 I HA -0.257 3.919 4.170 0.011 0.000 0.243 749 I C 2.383 178.501 176.117 0.001 0.000 1.080 749 I CA 1.215 62.520 61.300 0.009 0.000 1.339 749 I CB -0.438 37.579 38.000 0.028 0.000 1.039 749 I HN -0.024 nan 8.210 nan 0.000 0.409 750 K N 0.149 120.541 120.400 -0.013 0.000 2.032 750 K HA -0.187 4.139 4.320 0.011 0.000 0.209 750 K C 2.308 178.888 176.600 -0.034 0.000 1.048 750 K CA 1.836 58.106 56.287 -0.028 0.000 0.927 750 K CB -0.149 32.298 32.500 -0.089 0.000 0.712 750 K HN 0.217 nan 8.250 nan 0.000 0.441 751 S N 1.191 116.864 115.700 -0.046 0.000 2.369 751 S HA -0.144 4.333 4.470 0.011 0.000 0.225 751 S C 1.011 175.599 174.600 -0.020 0.000 1.043 751 S CA 1.418 59.598 58.200 -0.034 0.000 1.074 751 S CB -0.390 62.792 63.200 -0.030 0.000 0.962 751 S HN 0.326 nan 8.310 nan 0.000 0.433 752 L N 2.866 124.080 121.223 -0.014 0.000 2.869 752 L HA 0.157 4.504 4.340 0.011 0.000 0.240 752 L C -0.379 176.485 176.870 -0.010 0.000 1.448 752 L CA -0.245 54.589 54.840 -0.010 0.000 1.158 752 L CB -1.324 40.731 42.059 -0.006 0.000 1.497 752 L HN 0.224 nan 8.230 nan 0.000 0.447 753 S N -1.328 114.363 115.700 -0.015 0.000 2.232 753 S HA 0.374 4.850 4.470 0.011 0.000 0.288 753 S C -0.151 174.431 174.600 -0.029 0.000 0.681 753 S CA -0.455 57.732 58.200 -0.021 0.000 0.814 753 S CB -0.352 62.842 63.200 -0.011 0.000 1.227 753 S HN 0.391 nan 8.310 nan 0.000 0.439 754 A N 2.642 125.437 122.820 -0.040 0.000 2.529 754 A HA 0.440 4.766 4.320 0.011 0.000 0.243 754 A C 0.937 178.478 177.584 -0.071 0.000 1.781 754 A CA -0.137 51.873 52.037 -0.045 0.000 0.877 754 A CB -0.220 18.752 19.000 -0.046 0.000 1.601 754 A HN 0.820 nan 8.150 nan 0.000 0.674 755 E N -0.068 120.078 120.200 -0.090 0.000 2.888 755 E HA 0.083 4.440 4.350 0.011 0.000 0.271 755 E C -0.691 175.720 176.600 -0.315 0.000 1.527 755 E CA 0.097 56.415 56.400 -0.136 0.000 1.700 755 E CB -0.401 29.244 29.700 -0.092 0.000 1.410 755 E HN 0.301 nan 8.360 nan 0.000 0.445 756 K N 1.556 121.778 120.400 -0.298 0.000 2.449 756 K HA 0.092 4.418 4.320 0.011 0.000 0.257 756 K C -1.301 175.112 176.600 -0.313 0.000 0.989 756 K CA -0.877 55.157 56.287 -0.421 0.000 0.916 756 K CB 0.083 32.459 32.500 -0.205 0.000 1.136 756 K HN -0.009 nan 8.250 nan 0.000 0.439 757 Y N 3.339 123.645 120.300 0.009 0.000 2.680 757 Y HA 0.231 4.787 4.550 0.011 0.000 0.356 757 Y C 0.371 176.273 175.900 0.004 0.000 1.122 757 Y CA -0.717 57.387 58.100 0.007 0.000 1.509 757 Y CB -0.137 38.327 38.460 0.006 0.000 1.245 757 Y HN 0.674 nan 8.280 nan 0.000 0.513 758 D N -0.430 120.043 120.400 0.121 0.000 2.887 758 D HA 0.032 4.679 4.640 0.011 0.000 0.162 758 D C -0.029 176.303 176.300 0.052 0.000 1.495 758 D CA 0.366 54.416 54.000 0.083 0.000 1.531 758 D CB 0.068 40.892 40.800 0.041 0.000 1.459 758 D HN 0.219 nan 8.370 nan 0.000 0.256 759 V N 1.731 121.665 119.914 0.035 0.000 6.244 759 V HA -0.148 3.978 4.120 0.011 0.000 0.295 759 V C 0.477 176.580 176.094 0.015 0.000 0.550 759 V CA 0.384 62.699 62.300 0.024 0.000 0.756 759 V CB -2.766 29.071 31.823 0.023 0.000 0.665 759 V HN 0.754 nan 8.190 nan 0.000 0.592 760 S N 0.774 116.481 115.700 0.012 0.000 2.624 760 S HA 0.517 4.993 4.470 0.011 0.000 0.263 760 S C 1.567 176.170 174.600 0.005 0.000 1.287 760 S CA -0.016 58.188 58.200 0.008 0.000 0.990 760 S CB 1.600 64.804 63.200 0.007 0.000 0.950 760 S HN 1.798 nan 8.310 nan 0.000 0.561 761 S N -0.469 115.232 115.700 0.002 0.000 2.469 761 S HA -0.217 4.260 4.470 0.011 0.000 0.238 761 S C 1.735 176.337 174.600 0.002 0.000 0.998 761 S CA 1.127 59.328 58.200 0.001 0.000 0.957 761 S CB -0.700 62.499 63.200 -0.001 0.000 0.764 761 S HN 0.819 nan 8.310 nan 0.000 0.514 762 Q N 0.738 120.540 119.800 0.003 0.000 1.994 762 Q HA -0.047 4.300 4.340 0.011 0.000 0.198 762 Q C 2.252 178.254 176.000 0.004 0.000 0.976 762 Q CA 1.642 57.447 55.803 0.003 0.000 0.828 762 Q CB -0.404 28.336 28.738 0.002 0.000 0.894 762 Q HN 0.430 nan 8.270 nan 0.000 0.432 763 V N 0.757 120.675 119.914 0.006 0.000 2.343 763 V HA -0.249 3.877 4.120 0.011 0.000 0.247 763 V C 2.159 178.259 176.094 0.011 0.000 1.051 763 V CA 1.759 64.064 62.300 0.009 0.000 1.036 763 V CB -0.405 31.425 31.823 0.011 0.000 0.654 763 V HN 0.468 nan 8.190 nan 0.000 0.451 764 I N 0.131 120.707 120.570 0.010 0.000 2.127 764 I HA -0.250 3.926 4.170 0.011 0.000 0.241 764 I C 2.806 178.928 176.117 0.008 0.000 1.075 764 I CA 2.049 63.355 61.300 0.010 0.000 1.334 764 I CB -0.586 37.416 38.000 0.003 0.000 1.040 764 I HN 0.493 nan 8.210 nan 0.000 0.405 765 S N 0.662 116.365 115.700 0.005 0.000 2.359 765 S HA -0.313 4.164 4.470 0.011 0.000 0.222 765 S C 1.971 176.574 174.600 0.005 0.000 1.038 765 S CA 1.897 60.099 58.200 0.004 0.000 1.051 765 S CB -0.404 62.798 63.200 0.003 0.000 0.944 765 S HN 0.480 nan 8.310 nan 0.000 0.433 766 Q N 0.313 120.116 119.800 0.005 0.000 2.368 766 Q HA -0.035 4.312 4.340 0.011 0.000 0.210 766 Q C 2.132 178.136 176.000 0.007 0.000 0.982 766 Q CA 1.027 56.834 55.803 0.005 0.000 0.884 766 Q CB -0.273 28.468 28.738 0.005 0.000 0.933 766 Q HN 0.508 nan 8.270 nan 0.000 0.460 767 L N 0.697 121.927 121.223 0.010 0.000 2.102 767 L HA -0.094 4.252 4.340 0.011 0.000 0.202 767 L C 1.782 178.658 176.870 0.009 0.000 1.076 767 L CA 1.570 56.418 54.840 0.014 0.000 0.761 767 L CB -0.257 41.817 42.059 0.025 0.000 0.921 767 L HN 0.110 nan 8.230 nan 0.000 0.444 768 K N 0.090 120.494 120.400 0.007 0.000 2.057 768 K HA -0.188 4.138 4.320 0.011 0.000 0.207 768 K C 1.944 178.544 176.600 0.000 0.000 1.049 768 K CA 1.228 57.516 56.287 0.002 0.000 0.931 768 K CB -0.343 32.158 32.500 0.002 0.000 0.714 768 K HN 0.505 nan 8.250 nan 0.000 0.440 769 Q N 0.923 120.724 119.800 0.002 0.000 2.133 769 Q HA -0.190 4.157 4.340 0.011 0.000 0.208 769 Q C 2.077 178.078 176.000 0.001 0.000 0.991 769 Q CA 1.716 57.520 55.803 0.002 0.000 0.867 769 Q CB -0.100 28.639 28.738 0.002 0.000 0.911 769 Q HN 0.324 nan 8.270 nan 0.000 0.417 770 K N 0.277 120.677 120.400 0.000 0.000 2.062 770 K HA -0.059 4.267 4.320 0.011 0.000 0.205 770 K C 2.066 178.663 176.600 -0.005 0.000 1.051 770 K CA 0.770 57.056 56.287 -0.002 0.000 0.941 770 K CB -0.069 32.430 32.500 -0.002 0.000 0.719 770 K HN 0.183 nan 8.250 nan 0.000 0.440 771 L N 1.464 122.682 121.223 -0.008 0.000 2.261 771 L HA -0.187 4.159 4.340 0.011 0.000 0.216 771 L C 2.188 179.055 176.870 -0.005 0.000 1.114 771 L CA 0.830 55.662 54.840 -0.013 0.000 0.777 771 L CB -0.456 41.589 42.059 -0.023 0.000 0.910 771 L HN 0.221 nan 8.230 nan 0.000 0.440 772 E N 0.443 120.642 120.200 -0.002 0.000 2.017 772 E HA -0.202 4.154 4.350 0.011 0.000 0.193 772 E C 1.740 178.344 176.600 0.005 0.000 0.997 772 E CA 1.420 57.822 56.400 0.002 0.000 0.804 772 E CB -0.667 29.035 29.700 0.003 0.000 0.757 772 E HN 0.639 nan 8.360 nan 0.000 0.448 773 N N 1.047 119.749 118.700 0.004 0.000 2.036 773 N HA -0.157 4.589 4.740 0.011 0.000 0.195 773 N C 2.141 177.655 175.510 0.007 0.000 1.037 773 N CA 1.091 54.145 53.050 0.005 0.000 0.855 773 N CB -0.296 38.193 38.487 0.003 0.000 1.033 773 N HN 0.056 nan 8.380 nan 0.000 0.423 774 L N 0.563 121.788 121.223 0.004 0.000 2.131 774 L HA -0.173 4.174 4.340 0.011 0.000 0.210 774 L C 2.326 179.208 176.870 0.021 0.000 1.092 774 L CA 0.889 55.734 54.840 0.007 0.000 0.759 774 L CB -0.382 41.675 42.059 -0.002 0.000 0.903 774 L HN 0.201 nan 8.230 nan 0.000 0.435 775 Q N 0.320 120.133 119.800 0.020 0.000 2.561 775 Q HA -0.088 4.258 4.340 0.011 0.000 0.217 775 Q C 0.956 176.974 176.000 0.029 0.000 0.980 775 Q CA 0.735 56.556 55.803 0.029 0.000 0.927 775 Q CB -0.008 28.742 28.738 0.021 0.000 0.980 775 Q HN 0.500 nan 8.270 nan 0.000 0.525 776 N N -1.416 117.298 118.700 0.024 0.000 2.607 776 N HA 0.014 4.760 4.740 0.011 0.000 0.284 776 N C -0.139 175.386 175.510 0.026 0.000 1.365 776 N CA 0.211 53.275 53.050 0.022 0.000 0.862 776 N CB -0.679 37.819 38.487 0.017 0.000 1.107 776 N HN -0.068 nan 8.380 nan 0.000 0.463 777 S N 0.091 115.804 115.700 0.022 0.000 2.930 777 S HA 0.104 4.580 4.470 0.011 0.000 0.257 777 S C 0.456 175.069 174.600 0.023 0.000 1.208 777 S CA 0.161 58.376 58.200 0.024 0.000 1.233 777 S CB -0.642 62.571 63.200 0.021 0.000 0.900 777 S HN 0.291 nan 8.310 nan 0.000 0.472 778 Q N -0.083 119.731 119.800 0.023 0.000 2.435 778 Q HA 0.313 4.660 4.340 0.011 0.000 0.180 778 Q C 0.053 176.064 176.000 0.019 0.000 0.699 778 Q CA -0.506 55.307 55.803 0.017 0.000 0.805 778 Q CB -0.138 28.606 28.738 0.009 0.000 1.157 778 Q HN 0.484 nan 8.270 nan 0.000 0.570 779 L N 4.724 125.960 121.223 0.023 0.000 2.654 779 L HA 0.108 4.454 4.340 0.011 0.000 0.271 779 L C -2.423 174.485 176.870 0.062 0.000 1.169 779 L CA -1.012 53.849 54.840 0.036 0.000 0.947 779 L CB 0.209 42.308 42.059 0.067 0.000 1.232 779 L HN -0.068 nan 8.230 nan 0.000 0.486 780 P HA -0.025 nan 4.420 nan 0.000 0.269 780 P C 0.408 177.773 177.300 0.107 0.000 1.211 780 P CA -0.151 62.993 63.100 0.073 0.000 0.781 780 P CB 0.511 32.244 31.700 0.055 0.000 0.877 781 E N 0.111 120.362 120.200 0.085 0.000 2.147 781 E HA -0.140 4.217 4.350 0.011 0.000 0.199 781 E C 0.740 177.387 176.600 0.078 0.000 1.005 781 E CA 1.717 58.162 56.400 0.075 0.000 0.810 781 E CB -0.220 29.512 29.700 0.055 0.000 0.736 781 E HN 0.646 nan 8.360 nan 0.000 0.460 782 S N -1.501 114.249 115.700 0.084 0.000 2.661 782 S HA 0.628 5.105 4.470 0.011 0.000 0.268 782 S C -0.978 173.687 174.600 0.108 0.000 1.162 782 S CA -0.990 57.225 58.200 0.026 0.000 0.817 782 S CB 1.515 64.664 63.200 -0.085 0.000 1.141 782 S HN 0.165 nan 8.310 nan 0.000 0.477 783 F N -1.777 118.079 119.950 -0.156 0.000 2.725 783 F HA 0.710 5.244 4.527 0.011 0.000 0.309 783 F C -1.036 174.631 175.800 -0.223 0.000 1.132 783 F CA -1.251 56.640 58.000 -0.181 0.000 0.957 783 F CB 1.025 39.922 39.000 -0.172 0.000 1.286 783 F HN 0.710 nan 8.300 nan 0.000 0.440 784 R N 1.505 121.941 120.500 -0.107 0.000 2.441 784 R HA 0.551 4.897 4.340 0.011 0.000 0.284 784 R C -0.973 175.220 176.300 -0.178 0.000 1.070 784 R CA -1.001 54.951 56.100 -0.246 0.000 1.047 784 R CB 1.705 31.858 30.300 -0.246 0.000 1.016 784 R HN 0.592 nan 8.270 nan 0.000 0.477 785 V N 6.369 126.053 119.914 -0.383 0.000 2.421 785 V HA 0.007 4.133 4.120 0.011 0.000 0.271 785 V C -1.410 174.401 176.094 -0.472 0.000 1.031 785 V CA -0.986 61.039 62.300 -0.458 0.000 1.032 785 V CB 0.917 32.371 31.823 -0.615 0.000 1.009 785 V HN 0.658 nan 8.190 nan 0.000 0.477 786 P HA -0.209 nan 4.420 nan 0.000 0.218 786 P C 1.066 178.243 177.300 -0.205 0.000 1.152 786 P CA 1.769 64.658 63.100 -0.351 0.000 0.857 786 P CB -0.046 31.126 31.700 -0.879 0.000 0.787 787 Y N -3.125 117.158 120.300 -0.028 0.000 2.466 787 Y HA 0.399 4.956 4.550 0.011 0.000 0.272 787 Y C 0.227 176.231 175.900 0.174 0.000 1.169 787 Y CA -0.511 57.687 58.100 0.164 0.000 1.285 787 Y CB -0.590 37.959 38.460 0.149 0.000 1.078 787 Y HN -0.167 nan 8.280 nan 0.000 0.523 788 D N 1.662 121.996 120.400 -0.110 0.000 2.586 788 D HA 0.191 4.837 4.640 0.011 0.000 0.254 788 D C -2.171 173.963 176.300 -0.276 0.000 1.248 788 D CA -2.262 51.723 54.000 -0.026 0.000 0.843 788 D CB 1.184 42.009 40.800 0.042 0.000 1.332 788 D HN -0.041 nan 8.370 nan 0.000 0.523 789 P HA -0.119 nan 4.420 nan 0.000 0.218 789 P C 1.350 178.400 177.300 -0.417 0.000 1.146 789 P CA 0.935 63.600 63.100 -0.726 0.000 0.820 789 P CB 0.287 31.335 31.700 -1.087 0.000 0.778 790 G N -0.471 108.188 108.800 -0.235 0.000 2.448 790 G HA2 -0.042 3.924 3.960 0.011 0.000 0.218 790 G HA3 -0.042 3.924 3.960 0.011 0.000 0.218 790 G C 0.723 175.500 174.900 -0.205 0.000 1.135 790 G CA 0.021 45.021 45.100 -0.166 0.000 0.784 790 G HN 0.191 nan 8.290 nan 0.000 0.543 791 L N 1.041 122.133 121.223 -0.218 0.000 2.326 791 L HA 0.412 4.758 4.340 0.011 0.000 0.278 791 L C -0.509 176.175 176.870 -0.311 0.000 1.092 791 L CA -0.110 54.590 54.840 -0.233 0.000 0.810 791 L CB 1.586 43.532 42.059 -0.189 0.000 1.153 791 L HN -0.054 nan 8.230 nan 0.000 0.439 792 K N 3.260 123.480 120.400 -0.301 0.000 2.265 792 K HA 0.517 4.844 4.320 0.011 0.000 0.267 792 K C -0.562 175.767 176.600 -0.451 0.000 0.994 792 K CA -0.428 55.637 56.287 -0.371 0.000 0.860 792 K CB 1.922 34.264 32.500 -0.264 0.000 1.099 792 K HN 0.655 nan 8.250 nan 0.000 0.448 793 A N 2.732 125.081 122.820 -0.786 0.000 2.301 793 A HA 0.642 4.968 4.320 0.011 0.000 0.298 793 A C 0.645 177.907 177.584 -0.537 0.000 1.185 793 A CA -0.138 51.384 52.037 -0.858 0.000 0.830 793 A CB 0.782 18.728 19.000 -1.757 0.000 1.112 793 A HN 0.748 nan 8.150 nan 0.000 0.508 794 G N 0.696 109.393 108.800 -0.171 0.000 3.022 794 G HA2 0.565 4.531 3.960 0.011 0.000 0.157 794 G HA3 0.565 4.531 3.960 0.011 0.000 0.157 794 G C 0.603 175.606 174.900 0.173 0.000 1.468 794 G CA 0.087 45.182 45.100 -0.009 0.000 1.058 794 G HN 1.389 nan 8.290 nan 0.000 0.581 795 A N -0.974 121.934 122.820 0.148 0.000 2.425 795 A HA 0.480 4.806 4.320 0.011 0.000 0.242 795 A C 0.062 177.769 177.584 0.206 0.000 1.077 795 A CA -0.215 51.922 52.037 0.168 0.000 0.781 795 A CB 0.056 19.110 19.000 0.088 0.000 1.020 795 A HN 0.488 nan 8.150 nan 0.000 0.494 796 L N 1.786 123.089 121.223 0.132 0.000 2.315 796 L HA 0.338 4.684 4.340 0.011 0.000 0.283 796 L C 0.897 177.712 176.870 -0.091 0.000 1.089 796 L CA -0.394 54.395 54.840 -0.085 0.000 0.833 796 L CB 1.026 43.022 42.059 -0.106 0.000 1.170 796 L HN 0.802 nan 8.230 nan 0.000 0.442 797 A N 6.086 128.832 122.820 -0.124 0.000 3.026 797 A HA 0.144 4.471 4.320 0.011 0.000 0.272 797 A C 1.388 178.935 177.584 -0.062 0.000 1.782 797 A CA -0.174 51.830 52.037 -0.055 0.000 1.451 797 A CB -0.650 18.337 19.000 -0.022 0.000 1.081 797 A HN 0.881 nan 8.150 nan 0.000 0.611 798 I N 0.264 120.802 120.570 -0.053 0.000 2.300 798 I HA -0.354 3.823 4.170 0.011 0.000 0.252 798 I C 2.262 178.373 176.117 -0.011 0.000 1.119 798 I CA 1.848 63.126 61.300 -0.038 0.000 1.384 798 I CB -0.347 37.640 38.000 -0.023 0.000 1.062 798 I HN 0.680 nan 8.210 nan 0.000 0.426 799 E N 1.167 121.365 120.200 -0.002 0.000 2.033 799 E HA -0.234 4.122 4.350 0.011 0.000 0.199 799 E C 1.730 178.342 176.600 0.019 0.000 1.011 799 E CA 1.216 57.620 56.400 0.008 0.000 0.815 799 E CB -0.206 29.500 29.700 0.011 0.000 0.755 799 E HN 0.433 nan 8.360 nan 0.000 0.451 800 K N 0.348 120.770 120.400 0.037 0.000 2.611 800 K HA 0.068 4.394 4.320 0.011 0.000 0.193 800 K C -0.078 176.606 176.600 0.141 0.000 1.026 800 K CA -0.110 56.226 56.287 0.082 0.000 1.063 800 K CB -0.183 32.389 32.500 0.120 0.000 0.839 800 K HN 0.135 nan 8.250 nan 0.000 0.505 801 C N 1.329 120.681 119.300 0.087 0.000 2.351 801 C HA 0.407 4.873 4.460 0.011 0.000 0.359 801 C C 0.383 175.430 174.990 0.096 0.000 1.193 801 C CA -0.506 58.589 59.018 0.128 0.000 2.270 801 C CB 0.739 28.498 27.740 0.031 0.000 2.369 801 C HN 0.539 nan 8.230 nan 0.000 0.553 802 K N 0.053 120.536 120.400 0.139 0.000 2.872 802 K HA 0.667 4.994 4.320 0.011 0.000 0.291 802 K C -1.995 174.673 176.600 0.113 0.000 1.000 802 K CA -0.703 55.627 56.287 0.071 0.000 0.750 802 K CB -0.049 32.438 32.500 -0.021 0.000 1.415 802 K HN 0.222 nan 8.250 nan 0.000 0.361 803 V N 0.751 120.705 119.914 0.067 0.000 2.540 803 V HA 0.506 4.632 4.120 0.011 0.000 0.302 803 V C -0.353 175.779 176.094 0.064 0.000 1.035 803 V CA -0.790 61.564 62.300 0.089 0.000 0.873 803 V CB 1.419 33.282 31.823 0.067 0.000 0.992 803 V HN 0.718 nan 8.190 nan 0.000 0.428 804 M N 2.426 122.087 119.600 0.102 0.000 2.241 804 M HA 0.412 4.898 4.480 0.011 0.000 0.335 804 M C 1.417 177.754 176.300 0.063 0.000 1.122 804 M CA 0.196 55.541 55.300 0.075 0.000 1.164 804 M CB 1.487 34.167 32.600 0.133 0.000 1.459 804 M HN 0.867 nan 8.290 nan 0.000 0.461 805 A N 1.429 124.276 122.820 0.045 0.000 1.933 805 A HA -0.032 4.294 4.320 0.011 0.000 0.218 805 A C 1.160 178.800 177.584 0.094 0.000 1.175 805 A CA 0.811 52.888 52.037 0.067 0.000 0.628 805 A CB -0.599 18.430 19.000 0.049 0.000 0.814 805 A HN 0.792 nan 8.150 nan 0.000 0.444 806 S N -0.001 115.746 115.700 0.078 0.000 2.618 806 S HA -0.102 4.374 4.470 0.011 0.000 0.313 806 S C 1.420 176.078 174.600 0.095 0.000 1.252 806 S CA 0.756 59.004 58.200 0.080 0.000 1.022 806 S CB 0.366 63.608 63.200 0.071 0.000 0.706 806 S HN 0.648 nan 8.310 nan 0.000 0.466 807 K N 3.041 123.497 120.400 0.094 0.000 2.059 807 K HA -0.110 4.216 4.320 0.011 0.000 0.212 807 K C 0.821 177.460 176.600 0.065 0.000 1.050 807 K CA 1.543 57.883 56.287 0.087 0.000 0.927 807 K CB -0.240 32.305 32.500 0.075 0.000 0.714 807 K HN 0.361 nan 8.250 nan 0.000 0.447 808 K N 0.666 121.108 120.400 0.069 0.000 2.760 808 K HA 0.226 4.552 4.320 0.011 0.000 0.285 808 K C -0.000 176.646 176.600 0.077 0.000 1.016 808 K CA -0.571 55.761 56.287 0.076 0.000 1.087 808 K CB 0.296 32.852 32.500 0.093 0.000 1.427 808 K HN -0.150 nan 8.250 nan 0.000 0.524 809 K N 1.931 122.384 120.400 0.087 0.000 2.602 809 K HA 0.328 4.654 4.320 0.011 0.000 0.201 809 K C -2.564 174.107 176.600 0.118 0.000 1.070 809 K CA -1.980 54.359 56.287 0.087 0.000 1.026 809 K CB 0.427 32.963 32.500 0.061 0.000 1.534 809 K HN 0.276 nan 8.250 nan 0.000 0.560 810 P HA 0.010 nan 4.420 nan 0.000 0.266 810 P C -0.496 176.922 177.300 0.196 0.000 1.195 810 P CA -0.425 62.770 63.100 0.159 0.000 0.768 810 P CB 0.516 32.307 31.700 0.152 0.000 0.838 811 L N 4.822 126.191 121.223 0.242 0.000 2.276 811 L HA 0.362 4.709 4.340 0.011 0.000 0.286 811 L C -0.957 176.091 176.870 0.297 0.000 1.024 811 L CA -0.471 54.522 54.840 0.255 0.000 0.826 811 L CB 0.084 42.306 42.059 0.272 0.000 1.211 811 L HN 0.452 nan 8.230 nan 0.000 0.422 812 W N 8.232 129.585 121.300 0.089 0.000 2.357 812 W HA 0.430 5.097 4.660 0.011 0.000 0.317 812 W C -1.674 174.868 176.519 0.039 0.000 1.101 812 W CA -0.702 56.690 57.345 0.077 0.000 1.380 812 W CB 0.639 30.131 29.460 0.053 0.000 1.266 812 W HN 0.354 nan 8.180 nan 0.000 0.419 813 L N 5.287 126.510 121.223 0.001 0.000 2.330 813 L HA 0.558 4.905 4.340 0.011 0.000 0.271 813 L C -0.111 176.618 176.870 -0.235 0.000 1.013 813 L CA -0.909 53.859 54.840 -0.119 0.000 0.816 813 L CB 2.065 44.016 42.059 -0.181 0.000 1.287 813 L HN 0.235 nan 8.230 nan 0.000 0.435 814 E N 1.270 121.269 120.200 -0.335 0.000 2.292 814 E HA 0.607 4.964 4.350 0.011 0.000 0.272 814 E C -1.738 174.662 176.600 -0.333 0.000 0.881 814 E CA -0.546 55.756 56.400 -0.164 0.000 0.754 814 E CB 2.543 32.257 29.700 0.023 0.000 1.201 814 E HN 0.231 nan 8.360 nan 0.000 0.425 815 F N 0.814 120.780 119.950 0.025 0.000 2.577 815 F HA 0.441 4.974 4.527 0.011 0.000 0.318 815 F C 0.211 176.002 175.800 -0.015 0.000 1.065 815 F CA -1.113 56.894 58.000 0.012 0.000 0.929 815 F CB 1.267 40.261 39.000 -0.010 0.000 1.237 815 F HN 0.036 nan 8.300 nan 0.000 0.468 816 K N 0.621 121.126 120.400 0.176 0.000 2.205 816 K HA 0.349 4.675 4.320 0.011 0.000 0.279 816 K C -0.600 176.020 176.600 0.032 0.000 1.027 816 K CA -0.616 55.719 56.287 0.080 0.000 0.932 816 K CB 1.433 33.966 32.500 0.055 0.000 1.032 816 K HN 0.679 nan 8.250 nan 0.000 0.466 817 C N 2.643 121.940 119.300 -0.004 0.000 2.634 817 C HA 0.069 4.536 4.460 0.011 0.000 0.418 817 C C 1.775 176.724 174.990 -0.069 0.000 1.373 817 C CA -0.008 58.974 59.018 -0.060 0.000 1.756 817 C CB -0.963 26.742 27.740 -0.057 0.000 2.589 817 C HN 0.943 nan 8.230 nan 0.000 0.602 818 A N 3.664 126.417 122.820 -0.112 0.000 2.119 818 A HA 0.038 4.365 4.320 0.011 0.000 0.217 818 A C 0.993 178.526 177.584 -0.085 0.000 1.153 818 A CA 0.840 52.820 52.037 -0.095 0.000 0.692 818 A CB -0.250 18.672 19.000 -0.131 0.000 0.799 818 A HN 0.918 nan 8.150 nan 0.000 0.458 819 D N -0.416 119.924 120.400 -0.100 0.000 2.317 819 D HA 0.298 4.944 4.640 0.011 0.000 0.252 819 D C -1.812 174.442 176.300 -0.076 0.000 1.174 819 D CA -1.935 52.006 54.000 -0.098 0.000 0.866 819 D CB 1.377 42.099 40.800 -0.130 0.000 1.127 819 D HN -0.019 nan 8.370 nan 0.000 0.467 820 P HA -0.067 nan 4.420 nan 0.000 0.220 820 P C 0.974 178.244 177.300 -0.050 0.000 1.148 820 P CA 1.106 64.179 63.100 -0.045 0.000 0.803 820 P CB 0.175 31.854 31.700 -0.035 0.000 0.782 821 T N -3.720 110.790 114.554 -0.073 0.000 3.194 821 T HA 0.374 4.730 4.350 0.011 0.000 0.251 821 T C 0.843 175.478 174.700 -0.109 0.000 1.132 821 T CA -0.266 61.782 62.100 -0.087 0.000 1.028 821 T CB -0.768 68.028 68.868 -0.121 0.000 0.976 821 T HN 0.010 nan 8.240 nan 0.000 0.535 822 A N 0.977 123.742 122.820 -0.093 0.000 2.466 822 A HA 0.536 4.862 4.320 0.011 0.000 0.238 822 A C 1.183 178.723 177.584 -0.073 0.000 1.074 822 A CA -0.524 51.460 52.037 -0.089 0.000 0.774 822 A CB -0.002 18.957 19.000 -0.067 0.000 1.015 822 A HN 0.301 nan 8.150 nan 0.000 0.498 823 L N 1.467 122.646 121.223 -0.073 0.000 1.971 823 L HA 0.031 4.377 4.340 0.011 0.000 0.208 823 L C 1.827 178.673 176.870 -0.040 0.000 1.083 823 L CA 2.464 57.257 54.840 -0.077 0.000 0.753 823 L CB -0.666 41.343 42.059 -0.084 0.000 0.893 823 L HN 0.755 nan 8.230 nan 0.000 0.436 824 S N -0.925 114.765 115.700 -0.017 0.000 2.654 824 S HA 0.171 4.648 4.470 0.011 0.000 0.283 824 S C 0.866 175.469 174.600 0.005 0.000 1.180 824 S CA -0.612 57.588 58.200 -0.000 0.000 1.021 824 S CB 0.481 63.691 63.200 0.017 0.000 1.018 824 S HN 0.366 nan 8.310 nan 0.000 0.532 825 N N 1.547 120.254 118.700 0.011 0.000 2.571 825 N HA -0.043 4.703 4.740 0.011 0.000 0.189 825 N C -0.302 175.225 175.510 0.027 0.000 1.154 825 N CA 0.217 53.276 53.050 0.015 0.000 0.907 825 N CB -0.049 38.449 38.487 0.017 0.000 0.977 825 N HN 0.662 nan 8.380 nan 0.000 0.449 826 E N 1.733 121.953 120.200 0.033 0.000 2.760 826 E HA -0.103 4.254 4.350 0.011 0.000 0.268 826 E C 0.632 177.263 176.600 0.051 0.000 0.935 826 E CA 0.530 56.959 56.400 0.049 0.000 0.960 826 E CB 0.413 30.145 29.700 0.054 0.000 0.931 826 E HN 0.224 nan 8.360 nan 0.000 0.483 827 T N 0.623 115.219 114.554 0.069 0.000 2.918 827 T HA 0.465 4.822 4.350 0.011 0.000 0.283 827 T C 0.183 174.938 174.700 0.092 0.000 1.001 827 T CA -0.811 61.338 62.100 0.081 0.000 1.041 827 T CB 0.603 69.525 68.868 0.090 0.000 1.028 827 T HN 0.299 nan 8.240 nan 0.000 0.511 828 I N 2.112 122.759 120.570 0.127 0.000 2.312 828 I HA 0.422 4.598 4.170 0.011 0.000 0.291 828 I C 1.071 177.299 176.117 0.186 0.000 1.031 828 I CA -0.542 60.840 61.300 0.135 0.000 1.293 828 I CB 0.851 38.901 38.000 0.084 0.000 1.403 828 I HN 0.897 nan 8.210 nan 0.000 0.484 829 G N 7.760 116.603 108.800 0.073 0.000 2.322 829 G HA2 0.718 4.685 3.960 0.011 0.000 0.309 829 G HA3 0.718 4.685 3.960 0.011 0.000 0.309 829 G C -0.616 174.268 174.900 -0.027 0.000 1.121 829 G CA -0.317 44.729 45.100 -0.090 0.000 0.886 829 G HN 0.506 nan 8.290 nan 0.000 0.447 830 I N 2.045 122.615 120.570 -0.001 0.000 2.619 830 I HA 0.366 4.543 4.170 0.011 0.000 0.292 830 I C -0.614 175.529 176.117 0.044 0.000 1.100 830 I CA -0.743 60.642 61.300 0.141 0.000 1.043 830 I CB 2.618 40.849 38.000 0.384 0.000 1.239 830 I HN 0.239 nan 8.210 nan 0.000 0.420 831 I N 4.784 125.386 120.570 0.053 0.000 2.460 831 I HA 0.347 4.523 4.170 0.011 0.000 0.298 831 I C -1.156 175.090 176.117 0.216 0.000 0.989 831 I CA -0.539 60.817 61.300 0.093 0.000 1.173 831 I CB 1.796 39.816 38.000 0.033 0.000 1.338 831 I HN 0.349 nan 8.210 nan 0.000 0.456 832 F N 6.409 126.416 119.950 0.096 0.000 2.427 832 F HA 0.466 5.000 4.527 0.011 0.000 0.348 832 F C -0.108 175.758 175.800 0.109 0.000 1.125 832 F CA -0.616 57.446 58.000 0.103 0.000 0.989 832 F CB 1.105 40.169 39.000 0.107 0.000 1.165 832 F HN 0.269 nan 8.300 nan 0.000 0.442 833 K N 3.540 123.829 120.400 -0.185 0.000 2.281 833 K HA 0.532 4.858 4.320 0.011 0.000 0.242 833 K C -1.905 174.674 176.600 -0.036 0.000 0.971 833 K CA -0.630 55.638 56.287 -0.032 0.000 0.834 833 K CB 1.355 33.843 32.500 -0.021 0.000 1.181 833 K HN 0.746 nan 8.250 nan 0.000 0.435 834 H N 0.218 119.273 119.070 -0.026 0.000 2.806 834 H HA 0.479 5.042 4.556 0.011 0.000 0.367 834 H C -0.401 174.931 175.328 0.007 0.000 1.136 834 H CA 0.120 56.163 56.048 -0.009 0.000 1.178 834 H CB 1.974 31.760 29.762 0.040 0.000 1.718 834 H HN 0.826 nan 8.280 nan 0.000 0.540 835 G N 3.669 112.314 108.800 -0.257 0.000 2.370 835 G HA2 -0.131 3.835 3.960 0.011 0.000 0.268 835 G HA3 -0.131 3.835 3.960 0.011 0.000 0.268 835 G C -1.049 173.834 174.900 -0.029 0.000 1.122 835 G CA 0.201 45.267 45.100 -0.056 0.000 0.963 835 G HN 0.737 nan 8.290 nan 0.000 0.500 836 D N -0.433 119.923 120.400 -0.073 0.000 2.886 836 D HA 0.137 4.783 4.640 0.011 0.000 0.216 836 D C -1.300 174.972 176.300 -0.047 0.000 1.256 836 D CA -0.606 53.374 54.000 -0.033 0.000 0.844 836 D CB 1.472 42.265 40.800 -0.012 0.000 1.669 836 D HN 0.043 nan 8.370 nan 0.000 0.513 837 D N 3.058 123.441 120.400 -0.028 0.000 2.545 837 D HA 0.025 4.671 4.640 0.011 0.000 0.227 837 D C 1.327 177.615 176.300 -0.020 0.000 1.150 837 D CA -0.307 53.668 54.000 -0.042 0.000 1.046 837 D CB 0.494 41.258 40.800 -0.061 0.000 1.098 837 D HN 0.197 nan 8.370 nan 0.000 0.502 838 L N 2.974 124.180 121.223 -0.028 0.000 2.201 838 L HA -0.081 4.265 4.340 0.011 0.000 0.212 838 L C 2.408 179.272 176.870 -0.010 0.000 1.105 838 L CA 1.209 56.046 54.840 -0.005 0.000 0.775 838 L CB -0.237 41.808 42.059 -0.023 0.000 0.913 838 L HN 0.240 nan 8.230 nan 0.000 0.440 839 R N -1.290 119.185 120.500 -0.042 0.000 2.096 839 R HA -0.171 4.175 4.340 0.011 0.000 0.235 839 R C 2.183 178.438 176.300 -0.074 0.000 1.127 839 R CA 1.258 57.314 56.100 -0.074 0.000 0.968 839 R CB -0.224 30.015 30.300 -0.102 0.000 0.861 839 R HN 0.502 nan 8.270 nan 0.000 0.440 840 Q N 0.296 120.066 119.800 -0.049 0.000 2.124 840 Q HA -0.181 4.166 4.340 0.011 0.000 0.202 840 Q C 1.308 177.316 176.000 0.014 0.000 0.977 840 Q CA 1.807 57.593 55.803 -0.029 0.000 0.850 840 Q CB 0.020 28.756 28.738 -0.004 0.000 0.901 840 Q HN 0.370 nan 8.270 nan 0.000 0.429 841 D N 0.091 120.534 120.400 0.071 0.000 2.117 841 D HA -0.146 4.501 4.640 0.011 0.000 0.198 841 D C 1.759 178.075 176.300 0.026 0.000 0.982 841 D CA 1.101 55.191 54.000 0.151 0.000 0.828 841 D CB -0.042 40.890 40.800 0.219 0.000 0.967 841 D HN 0.177 nan 8.370 nan 0.000 0.464 842 M N -0.101 119.488 119.600 -0.020 0.000 2.080 842 M HA -0.157 4.330 4.480 0.011 0.000 0.260 842 M C 1.688 177.897 176.300 -0.152 0.000 1.068 842 M CA 0.906 56.156 55.300 -0.084 0.000 1.109 842 M CB -0.184 32.349 32.600 -0.113 0.000 1.342 842 M HN 0.100 nan 8.290 nan 0.000 0.405 843 L N 0.476 121.608 121.223 -0.151 0.000 1.989 843 L HA -0.204 4.142 4.340 0.011 0.000 0.211 843 L C 2.397 179.168 176.870 -0.165 0.000 1.071 843 L CA 1.780 56.522 54.840 -0.164 0.000 0.749 843 L CB -1.276 40.699 42.059 -0.140 0.000 0.890 843 L HN 0.286 nan 8.230 nan 0.000 0.431 844 I N -0.789 119.674 120.570 -0.178 0.000 2.264 844 I HA -0.276 3.901 4.170 0.011 0.000 0.248 844 I C 2.409 178.317 176.117 -0.349 0.000 1.111 844 I CA 0.987 62.110 61.300 -0.294 0.000 1.382 844 I CB -1.028 36.685 38.000 -0.477 0.000 1.060 844 I HN 0.213 nan 8.210 nan 0.000 0.418 845 L N 0.068 121.122 121.223 -0.283 0.000 2.217 845 L HA -0.146 4.200 4.340 0.011 0.000 0.211 845 L C 2.459 179.202 176.870 -0.212 0.000 1.107 845 L CA 1.471 56.157 54.840 -0.257 0.000 0.783 845 L CB -1.392 40.528 42.059 -0.231 0.000 0.919 845 L HN 0.262 nan 8.230 nan 0.000 0.442 846 Q N -0.315 119.368 119.800 -0.196 0.000 2.096 846 Q HA -0.019 4.328 4.340 0.011 0.000 0.197 846 Q C 2.245 178.138 176.000 -0.179 0.000 0.964 846 Q CA 1.239 56.931 55.803 -0.186 0.000 0.838 846 Q CB -0.056 28.569 28.738 -0.188 0.000 0.906 846 Q HN 0.422 nan 8.270 nan 0.000 0.444 847 I N -0.117 120.352 120.570 -0.169 0.000 2.208 847 I HA -0.271 3.905 4.170 0.011 0.000 0.245 847 I C 1.551 177.547 176.117 -0.201 0.000 1.097 847 I CA 0.608 61.818 61.300 -0.151 0.000 1.363 847 I CB -0.295 37.639 38.000 -0.108 0.000 1.051 847 I HN 0.244 nan 8.210 nan 0.000 0.413 848 L N 0.727 121.816 121.223 -0.223 0.000 2.012 848 L HA -0.187 4.159 4.340 0.011 0.000 0.210 848 L C 2.621 179.359 176.870 -0.221 0.000 1.073 848 L CA 1.783 56.479 54.840 -0.240 0.000 0.748 848 L CB -1.072 40.858 42.059 -0.215 0.000 0.891 848 L HN 0.194 nan 8.230 nan 0.000 0.431 849 R N -0.858 119.536 120.500 -0.176 0.000 2.152 849 R HA -0.126 4.220 4.340 0.011 0.000 0.232 849 R C 2.265 178.517 176.300 -0.081 0.000 1.117 849 R CA 1.182 57.203 56.100 -0.130 0.000 0.981 849 R CB -0.424 29.775 30.300 -0.168 0.000 0.870 849 R HN 0.359 nan 8.270 nan 0.000 0.451 850 I N 0.530 121.017 120.570 -0.138 0.000 2.286 850 I HA -0.236 3.940 4.170 0.011 0.000 0.245 850 I C 2.361 178.288 176.117 -0.317 0.000 1.104 850 I CA 1.218 62.416 61.300 -0.171 0.000 1.397 850 I CB -0.054 37.828 38.000 -0.197 0.000 1.072 850 I HN 0.130 nan 8.210 nan 0.000 0.417 851 M N -0.216 119.119 119.600 -0.441 0.000 2.175 851 M HA -0.201 4.286 4.480 0.011 0.000 0.264 851 M C 2.122 177.841 176.300 -0.969 0.000 1.063 851 M CA 1.662 56.467 55.300 -0.824 0.000 1.119 851 M CB -0.426 31.597 32.600 -0.961 0.000 1.377 851 M HN 0.157 nan 8.290 nan 0.000 0.415 852 E N 0.305 120.189 120.200 -0.526 0.000 2.058 852 E HA -0.192 4.164 4.350 0.011 0.000 0.194 852 E C 2.162 178.718 176.600 -0.073 0.000 0.997 852 E CA 1.899 58.203 56.400 -0.160 0.000 0.801 852 E CB -0.189 29.505 29.700 -0.011 0.000 0.746 852 E HN 0.577 nan 8.360 nan 0.000 0.450 853 S N 0.857 116.491 115.700 -0.109 0.000 2.382 853 S HA -0.145 4.332 4.470 0.011 0.000 0.228 853 S C 2.100 176.610 174.600 -0.150 0.000 1.027 853 S CA 0.715 58.855 58.200 -0.100 0.000 0.991 853 S CB -0.498 62.536 63.200 -0.278 0.000 0.823 853 S HN 0.160 nan 8.310 nan 0.000 0.469 854 I N 0.154 120.542 120.570 -0.302 0.000 2.127 854 I HA -0.165 4.012 4.170 0.011 0.000 0.241 854 I C 2.494 178.569 176.117 -0.071 0.000 1.075 854 I CA 1.453 62.545 61.300 -0.346 0.000 1.334 854 I CB -0.419 37.228 38.000 -0.588 0.000 1.040 854 I HN 0.361 nan 8.210 nan 0.000 0.405 855 W N 1.054 122.323 121.300 -0.052 0.000 2.350 855 W HA -0.187 4.479 4.660 0.010 0.000 0.289 855 W C 2.500 179.058 176.519 0.066 0.000 1.215 855 W CA 1.181 58.525 57.345 -0.002 0.000 1.236 855 W CB -1.029 28.411 29.460 -0.034 0.000 1.130 855 W HN 0.339 nan 8.180 nan 0.000 0.541 856 E N 0.328 120.697 120.200 0.282 0.000 2.072 856 E HA -0.200 4.156 4.350 0.011 0.000 0.191 856 E C 2.133 178.846 176.600 0.188 0.000 0.985 856 E CA 2.330 58.907 56.400 0.295 0.000 0.801 856 E CB -0.193 29.640 29.700 0.221 0.000 0.750 856 E HN 0.170 nan 8.360 nan 0.000 0.452 857 T N -1.403 113.221 114.554 0.117 0.000 2.946 857 T HA -0.139 4.217 4.350 0.011 0.000 0.271 857 T C 1.043 175.817 174.700 0.123 0.000 1.104 857 T CA 1.235 63.390 62.100 0.092 0.000 1.114 857 T CB -0.156 68.759 68.868 0.078 0.000 0.867 857 T HN 0.187 nan 8.240 nan 0.000 0.513 858 E N 0.679 120.985 120.200 0.176 0.000 2.736 858 E HA 0.323 4.680 4.350 0.011 0.000 0.208 858 E C -0.143 176.567 176.600 0.183 0.000 0.996 858 E CA -0.344 56.160 56.400 0.173 0.000 1.104 858 E CB 0.382 30.208 29.700 0.209 0.000 1.111 858 E HN 0.366 nan 8.360 nan 0.000 0.455 859 S N 0.677 116.504 115.700 0.212 0.000 3.614 859 S HA -0.191 4.285 4.470 0.011 0.000 0.360 859 S C -0.065 174.770 174.600 0.390 0.000 1.023 859 S CA 0.601 58.975 58.200 0.291 0.000 1.114 859 S CB -1.187 62.117 63.200 0.173 0.000 0.907 859 S HN 0.376 nan 8.310 nan 0.000 0.470 860 L N 0.928 122.357 121.223 0.343 0.000 2.365 860 L HA 0.614 4.961 4.340 0.011 0.000 0.273 860 L C -0.269 176.508 176.870 -0.156 0.000 1.000 860 L CA -0.650 54.239 54.840 0.082 0.000 0.819 860 L CB 1.750 43.806 42.059 -0.004 0.000 1.284 860 L HN 0.015 nan 8.230 nan 0.000 0.418 861 D N 2.995 123.151 120.400 -0.407 0.000 2.412 861 D HA 0.191 4.837 4.640 0.011 0.000 0.276 861 D C 0.572 176.751 176.300 -0.200 0.000 1.196 861 D CA -0.370 53.330 54.000 -0.501 0.000 0.905 861 D CB 0.977 41.181 40.800 -0.993 0.000 1.081 861 D HN 0.271 nan 8.370 nan 0.000 0.502 862 L N 1.702 122.862 121.223 -0.105 0.000 2.700 862 L HA 0.006 4.352 4.340 0.011 0.000 0.240 862 L C 0.746 177.622 176.870 0.010 0.000 1.162 862 L CA 0.350 55.119 54.840 -0.118 0.000 0.874 862 L CB -1.404 40.377 42.059 -0.463 0.000 1.001 862 L HN 0.604 nan 8.230 nan 0.000 0.447 863 C N 0.076 119.376 119.300 -0.000 0.000 4.235 863 C HA -0.197 4.269 4.460 0.011 0.000 0.301 863 C C 1.461 176.530 174.990 0.131 0.000 1.409 863 C CA -0.277 58.764 59.018 0.038 0.000 2.024 863 C CB -3.044 24.723 27.740 0.046 0.000 1.286 863 C HN 0.322 nan 8.230 nan 0.000 0.746 864 L N -0.577 120.710 121.223 0.106 0.000 2.475 864 L HA 0.444 4.790 4.340 0.011 0.000 0.250 864 L C 0.546 177.544 176.870 0.214 0.000 1.224 864 L CA 0.084 54.994 54.840 0.116 0.000 0.821 864 L CB 0.324 42.326 42.059 -0.094 0.000 1.141 864 L HN 0.372 nan 8.230 nan 0.000 0.494 865 L N 2.140 123.574 121.223 0.353 0.000 2.514 865 L HA 0.338 4.685 4.340 0.011 0.000 0.257 865 L C -2.433 174.539 176.870 0.170 0.000 1.101 865 L CA -1.198 53.746 54.840 0.174 0.000 0.911 865 L CB 1.753 43.825 42.059 0.022 0.000 1.162 865 L HN 0.297 nan 8.230 nan 0.000 0.477 866 P HA 0.218 nan 4.420 nan 0.000 0.245 866 P C -1.085 176.119 177.300 -0.160 0.000 1.740 866 P CA -0.248 62.793 63.100 -0.099 0.000 1.125 866 P CB -0.189 31.451 31.700 -0.100 0.000 1.747 867 Y N 0.373 120.659 120.300 -0.023 0.000 2.550 867 Y HA 0.446 5.002 4.550 0.011 0.000 0.343 867 Y C 1.110 176.930 175.900 -0.134 0.000 1.245 867 Y CA -1.241 56.788 58.100 -0.119 0.000 1.462 867 Y CB -0.354 38.005 38.460 -0.168 0.000 1.340 867 Y HN 0.320 nan 8.280 nan 0.000 0.604 868 G N 0.504 109.225 108.800 -0.132 0.000 2.414 868 G HA2 0.279 4.245 3.960 0.011 0.000 0.236 868 G HA3 0.279 4.245 3.960 0.011 0.000 0.236 868 G C -1.124 173.639 174.900 -0.228 0.000 1.293 868 G CA -0.029 44.875 45.100 -0.327 0.000 0.869 868 G HN 1.128 nan 8.290 nan 0.000 0.556 869 C N 4.454 123.764 119.300 0.017 0.000 2.928 869 C HA 0.484 4.951 4.460 0.011 0.000 0.396 869 C C -1.155 173.932 174.990 0.161 0.000 1.052 869 C CA -1.030 58.049 59.018 0.102 0.000 1.251 869 C CB -0.212 27.603 27.740 0.126 0.000 1.684 869 C HN 0.602 nan 8.230 nan 0.000 0.501 870 I N 4.875 125.538 120.570 0.154 0.000 2.436 870 I HA 0.333 4.509 4.170 0.011 0.000 0.289 870 I C 0.491 176.643 176.117 0.058 0.000 1.010 870 I CA 0.164 61.544 61.300 0.133 0.000 1.098 870 I CB 1.821 39.827 38.000 0.010 0.000 1.266 870 I HN 0.710 nan 8.210 nan 0.000 0.434 871 S N 3.806 119.557 115.700 0.084 0.000 2.448 871 S HA 0.208 4.685 4.470 0.011 0.000 0.279 871 S C 1.310 175.960 174.600 0.085 0.000 1.195 871 S CA -0.224 57.998 58.200 0.037 0.000 1.051 871 S CB 0.270 63.479 63.200 0.015 0.000 0.948 871 S HN 0.789 nan 8.310 nan 0.000 0.493 872 T N 2.653 117.237 114.554 0.050 0.000 3.010 872 T HA 0.395 4.751 4.350 0.011 0.000 0.252 872 T C 0.984 175.758 174.700 0.123 0.000 1.047 872 T CA 0.426 62.620 62.100 0.157 0.000 1.140 872 T CB -0.159 68.804 68.868 0.158 0.000 0.885 872 T HN 0.667 nan 8.240 nan 0.000 0.464 873 G N 0.150 108.977 108.800 0.045 0.000 3.021 873 G HA2 0.474 4.441 3.960 0.011 0.000 0.290 873 G HA3 0.474 4.441 3.960 0.011 0.000 0.290 873 G C -1.841 173.045 174.900 -0.024 0.000 1.291 873 G CA -0.768 44.349 45.100 0.030 0.000 0.834 873 G HN 0.181 nan 8.290 nan 0.000 0.564 874 D N 0.505 120.886 120.400 -0.031 0.000 2.383 874 D HA 0.327 4.973 4.640 0.011 0.000 0.245 874 D C 0.717 176.929 176.300 -0.147 0.000 1.263 874 D CA 0.249 54.212 54.000 -0.062 0.000 0.936 874 D CB -0.010 40.773 40.800 -0.028 0.000 1.053 874 D HN 0.458 nan 8.370 nan 0.000 0.507 875 K N 1.241 121.555 120.400 -0.142 0.000 3.587 875 K HA -0.229 4.097 4.320 0.011 0.000 0.294 875 K C 0.104 176.556 176.600 -0.247 0.000 1.279 875 K CA 0.588 56.761 56.287 -0.190 0.000 1.004 875 K CB -1.668 30.691 32.500 -0.234 0.000 1.276 875 K HN 0.542 nan 8.250 nan 0.000 0.459 876 I N -0.222 120.210 120.570 -0.229 0.000 2.493 876 I HA 0.587 4.764 4.170 0.011 0.000 0.298 876 I C 0.164 176.147 176.117 -0.224 0.000 0.998 876 I CA 0.122 61.291 61.300 -0.218 0.000 1.137 876 I CB 1.804 39.736 38.000 -0.114 0.000 1.310 876 I HN 0.211 nan 8.210 nan 0.000 0.445 877 G N 6.669 115.224 108.800 -0.408 0.000 2.349 877 G HA2 0.341 4.307 3.960 0.011 0.000 0.294 877 G HA3 0.341 4.307 3.960 0.011 0.000 0.294 877 G C -1.509 173.053 174.900 -0.563 0.000 1.380 877 G CA -0.863 44.002 45.100 -0.393 0.000 0.811 877 G HN 0.743 nan 8.290 nan 0.000 0.519 878 M N -0.701 118.735 119.600 -0.273 0.000 2.644 878 M HA 0.894 5.381 4.480 0.011 0.000 0.316 878 M C -1.031 175.307 176.300 0.064 0.000 1.200 878 M CA -0.871 54.390 55.300 -0.064 0.000 0.944 878 M CB 2.152 34.877 32.600 0.208 0.000 1.691 878 M HN 0.363 nan 8.290 nan 0.000 0.471 879 I N 0.386 121.009 120.570 0.089 0.000 2.647 879 I HA 0.345 4.521 4.170 0.011 0.000 0.295 879 I C -0.451 175.624 176.117 -0.070 0.000 1.078 879 I CA -0.673 60.637 61.300 0.016 0.000 1.048 879 I CB 2.375 40.372 38.000 -0.004 0.000 1.239 879 I HN 0.815 nan 8.210 nan 0.000 0.421 880 E N 5.481 125.471 120.200 -0.350 0.000 2.338 880 E HA 0.326 4.683 4.350 0.011 0.000 0.272 880 E C -1.071 175.400 176.600 -0.217 0.000 1.029 880 E CA -0.378 55.774 56.400 -0.413 0.000 0.872 880 E CB 0.966 30.210 29.700 -0.760 0.000 1.015 880 E HN 0.434 nan 8.360 nan 0.000 0.417 881 I N 5.198 125.672 120.570 -0.160 0.000 2.297 881 I HA 0.106 4.283 4.170 0.011 0.000 0.291 881 I C -0.249 175.815 176.117 -0.087 0.000 1.033 881 I CA -0.726 60.454 61.300 -0.200 0.000 1.253 881 I CB 1.391 39.133 38.000 -0.431 0.000 1.396 881 I HN 0.327 nan 8.210 nan 0.000 0.476 882 V N 6.791 126.676 119.914 -0.048 0.000 2.715 882 V HA 0.084 4.210 4.120 0.011 0.000 0.299 882 V C 0.469 176.621 176.094 0.097 0.000 1.054 882 V CA -0.450 61.853 62.300 0.005 0.000 1.077 882 V CB 0.931 32.735 31.823 -0.033 0.000 0.972 882 V HN 0.532 nan 8.190 nan 0.000 0.484 883 K N 3.060 123.522 120.400 0.104 0.000 2.339 883 K HA 0.240 4.567 4.320 0.011 0.000 0.286 883 K C -0.099 176.605 176.600 0.174 0.000 1.050 883 K CA 0.187 56.556 56.287 0.138 0.000 0.956 883 K CB -0.126 32.441 32.500 0.113 0.000 0.990 883 K HN 0.702 nan 8.250 nan 0.000 0.475 884 D N 0.848 121.368 120.400 0.200 0.000 2.848 884 D HA -0.198 4.449 4.640 0.011 0.000 0.245 884 D C -1.117 175.356 176.300 0.287 0.000 1.122 884 D CA 1.220 55.351 54.000 0.219 0.000 0.769 884 D CB -0.930 39.971 40.800 0.168 0.000 1.025 884 D HN 0.530 nan 8.370 nan 0.000 0.423 885 A N 0.172 123.167 122.820 0.290 0.000 2.486 885 A HA 0.860 5.187 4.320 0.011 0.000 0.300 885 A C 0.253 177.938 177.584 0.167 0.000 1.048 885 A CA 0.046 52.251 52.037 0.279 0.000 0.696 885 A CB 2.057 21.269 19.000 0.353 0.000 1.278 885 A HN 0.291 nan 8.150 nan 0.000 0.405 886 T N -1.559 113.005 114.554 0.017 0.000 2.812 886 T HA 0.735 5.091 4.350 0.011 0.000 0.294 886 T C 0.002 174.551 174.700 -0.250 0.000 1.159 886 T CA -0.533 61.511 62.100 -0.093 0.000 1.008 886 T CB 1.097 69.898 68.868 -0.112 0.000 1.289 886 T HN 0.612 nan 8.240 nan 0.000 0.514 887 T N 1.249 115.654 114.554 -0.247 0.000 2.868 887 T HA 0.291 4.647 4.350 0.011 0.000 0.292 887 T C 1.364 175.872 174.700 -0.319 0.000 1.028 887 T CA -0.441 61.482 62.100 -0.295 0.000 1.059 887 T CB 0.389 69.110 68.868 -0.245 0.000 0.991 887 T HN 0.480 nan 8.240 nan 0.000 0.531 888 I N 1.627 122.025 120.570 -0.287 0.000 2.315 888 I HA -0.076 4.101 4.170 0.011 0.000 0.248 888 I C 2.523 178.526 176.117 -0.189 0.000 1.117 888 I CA 1.143 62.320 61.300 -0.204 0.000 1.404 888 I CB -0.908 37.072 38.000 -0.033 0.000 1.071 888 I HN 0.829 nan 8.210 nan 0.000 0.419 889 A N 0.039 122.732 122.820 -0.212 0.000 1.865 889 A HA -0.301 4.026 4.320 0.011 0.000 0.217 889 A C 2.402 179.928 177.584 -0.097 0.000 1.191 889 A CA 2.118 54.067 52.037 -0.148 0.000 0.623 889 A CB -0.673 18.215 19.000 -0.186 0.000 0.826 889 A HN 0.354 nan 8.150 nan 0.000 0.444 890 K N -0.505 119.814 120.400 -0.135 0.000 2.209 890 K HA -0.033 4.294 4.320 0.011 0.000 0.204 890 K C 1.675 178.204 176.600 -0.118 0.000 1.048 890 K CA 1.267 57.491 56.287 -0.106 0.000 0.940 890 K CB -0.289 32.142 32.500 -0.114 0.000 0.729 890 K HN 0.570 nan 8.250 nan 0.000 0.451 891 I N 0.427 120.871 120.570 -0.210 0.000 2.353 891 I HA -0.245 3.931 4.170 0.011 0.000 0.248 891 I C 2.400 178.465 176.117 -0.086 0.000 1.119 891 I CA 0.774 61.922 61.300 -0.253 0.000 1.417 891 I CB -0.149 37.552 38.000 -0.498 0.000 1.078 891 I HN 0.253 nan 8.210 nan 0.000 0.421 892 Q N 0.602 120.368 119.800 -0.056 0.000 2.046 892 Q HA -0.219 4.128 4.340 0.011 0.000 0.200 892 Q C 2.170 178.194 176.000 0.041 0.000 0.975 892 Q CA 1.575 57.389 55.803 0.020 0.000 0.836 892 Q CB -0.337 28.441 28.738 0.067 0.000 0.896 892 Q HN 0.571 nan 8.270 nan 0.000 0.428 893 Q N -0.108 119.711 119.800 0.032 0.000 2.248 893 Q HA -0.118 4.228 4.340 0.011 0.000 0.208 893 Q C 2.138 178.148 176.000 0.017 0.000 0.984 893 Q CA 1.418 57.236 55.803 0.025 0.000 0.875 893 Q CB -0.005 28.739 28.738 0.010 0.000 0.910 893 Q HN 0.213 nan 8.270 nan 0.000 0.433 894 S N -0.393 115.319 115.700 0.020 0.000 2.382 894 S HA -0.113 4.363 4.470 0.011 0.000 0.228 894 S C 1.731 176.361 174.600 0.051 0.000 1.027 894 S CA 1.608 59.834 58.200 0.043 0.000 0.991 894 S CB -0.063 63.182 63.200 0.074 0.000 0.823 894 S HN 0.428 nan 8.310 nan 0.000 0.469 895 T N 0.791 115.377 114.554 0.052 0.000 3.348 895 T HA 0.156 4.513 4.350 0.011 0.000 0.233 895 T C 1.886 176.599 174.700 0.023 0.000 0.960 895 T CA 0.256 62.387 62.100 0.052 0.000 1.343 895 T CB -0.719 68.198 68.868 0.083 0.000 1.068 895 T HN 0.061 nan 8.240 nan 0.000 0.410 896 V N 1.259 121.181 119.914 0.013 0.000 2.363 896 V HA 0.003 4.130 4.120 0.011 0.000 0.254 896 V C 1.558 177.632 176.094 -0.033 0.000 1.074 896 V CA 2.194 64.481 62.300 -0.022 0.000 1.069 896 V CB -1.275 30.529 31.823 -0.031 0.000 0.659 896 V HN 0.956 nan 8.190 nan 0.000 0.455 897 G N -2.115 106.677 108.800 -0.014 0.000 2.352 897 G HA2 -0.168 3.798 3.960 0.011 0.000 0.324 897 G HA3 -0.168 3.798 3.960 0.011 0.000 0.324 897 G C 0.096 174.985 174.900 -0.019 0.000 1.249 897 G CA 0.076 45.163 45.100 -0.021 0.000 1.053 897 G HN 0.096 nan 8.290 nan 0.000 0.492 898 N N -0.410 118.274 118.700 -0.026 0.000 2.008 898 N HA -0.102 4.645 4.740 0.011 0.000 0.190 898 N C 2.226 177.731 175.510 -0.009 0.000 1.098 898 N CA 2.450 55.489 53.050 -0.019 0.000 0.894 898 N CB -0.704 37.766 38.487 -0.029 0.000 1.056 898 N HN 0.711 nan 8.380 nan 0.000 0.432 899 T N 0.157 114.688 114.554 -0.039 0.000 3.060 899 T HA 0.219 4.575 4.350 0.011 0.000 0.249 899 T C 1.115 175.672 174.700 -0.237 0.000 1.079 899 T CA 0.041 62.107 62.100 -0.057 0.000 1.013 899 T CB -0.130 68.707 68.868 -0.052 0.000 0.975 899 T HN 0.393 nan 8.240 nan 0.000 0.518 903 K N 1.931 122.228 120.400 -0.171 0.000 2.118 903 K HA 0.288 4.615 4.320 0.011 0.000 0.267 903 K C -0.351 176.307 176.600 0.096 0.000 0.991 903 K CA -0.739 55.517 56.287 -0.051 0.000 0.916 903 K CB 1.346 33.811 32.500 -0.058 0.000 1.041 903 K HN 0.465 nan 8.250 nan 0.000 0.455 904 D N 1.674 122.124 120.400 0.083 0.000 2.289 904 D HA -0.066 4.580 4.640 0.011 0.000 0.207 904 D C 0.671 176.764 176.300 -0.344 0.000 0.966 904 D CA 1.155 55.185 54.000 0.050 0.000 0.868 904 D CB 0.342 41.131 40.800 -0.018 0.000 0.943 904 D HN 0.498 nan 8.370 nan 0.000 0.514 905 E N -0.419 119.402 120.200 -0.630 0.000 2.472 905 E HA 0.053 4.410 4.350 0.011 0.000 0.196 905 E C 1.978 178.064 176.600 -0.857 0.000 1.033 905 E CA -0.079 55.696 56.400 -1.041 0.000 0.886 905 E CB 0.365 29.342 29.700 -1.204 0.000 0.944 905 E HN -0.034 nan 8.360 nan 0.000 0.492 906 V N 1.240 120.913 119.914 -0.401 0.000 2.278 906 V HA -0.321 3.806 4.120 0.011 0.000 0.251 906 V C 2.175 178.294 176.094 0.041 0.000 1.062 906 V CA 1.739 63.965 62.300 -0.123 0.000 1.038 906 V CB -0.430 31.392 31.823 -0.002 0.000 0.646 906 V HN 0.370 nan 8.190 nan 0.000 0.447 907 L N -0.005 121.254 121.223 0.060 0.000 1.976 907 L HA -0.229 4.118 4.340 0.011 0.000 0.209 907 L C 2.602 179.613 176.870 0.235 0.000 1.071 907 L CA 2.242 57.162 54.840 0.134 0.000 0.746 907 L CB -0.650 41.470 42.059 0.101 0.000 0.890 907 L HN 0.482 nan 8.230 nan 0.000 0.432 908 N N -0.651 118.181 118.700 0.220 0.000 2.137 908 N HA -0.262 4.485 4.740 0.011 0.000 0.190 908 N C 1.713 177.470 175.510 0.411 0.000 1.017 908 N CA 1.696 54.946 53.050 0.334 0.000 0.859 908 N CB -0.157 38.608 38.487 0.462 0.000 1.002 908 N HN 0.548 nan 8.380 nan 0.000 0.428 909 H N -2.059 117.175 119.070 0.274 0.000 2.353 909 H HA -0.164 4.399 4.556 0.011 0.000 0.300 909 H C 1.727 177.170 175.328 0.192 0.000 1.090 909 H CA 1.331 57.486 56.048 0.178 0.000 1.327 909 H CB -0.164 29.683 29.762 0.143 0.000 1.383 909 H HN 0.401 nan 8.280 nan 0.000 0.508 910 W N 1.654 123.071 121.300 0.194 0.000 2.354 910 W HA -0.161 4.506 4.660 0.011 0.000 0.315 910 W C 1.970 178.569 176.519 0.133 0.000 1.206 910 W CA 1.244 58.665 57.345 0.127 0.000 1.290 910 W CB -0.510 29.006 29.460 0.092 0.000 1.152 910 W HN 0.020 nan 8.180 nan 0.000 0.489 911 L N 0.762 122.225 121.223 0.401 0.000 2.042 911 L HA -0.244 4.103 4.340 0.011 0.000 0.210 911 L C 2.498 179.517 176.870 0.249 0.000 1.076 911 L CA 1.680 56.681 54.840 0.268 0.000 0.749 911 L CB -0.942 41.354 42.059 0.395 0.000 0.893 911 L HN -0.097 nan 8.230 nan 0.000 0.432 912 K N 0.965 121.477 120.400 0.187 0.000 2.148 912 K HA -0.192 4.134 4.320 0.011 0.000 0.204 912 K C 1.836 178.330 176.600 -0.177 0.000 1.050 912 K CA 1.632 57.761 56.287 -0.264 0.000 0.942 912 K CB -0.108 32.032 32.500 -0.600 0.000 0.724 912 K HN 0.576 nan 8.250 nan 0.000 0.446 913 E N -0.789 119.328 120.200 -0.139 0.000 2.427 913 E HA -0.061 4.295 4.350 0.011 0.000 0.196 913 E C 1.055 177.519 176.600 -0.228 0.000 1.028 913 E CA 0.547 56.848 56.400 -0.165 0.000 0.864 913 E CB 0.130 29.753 29.700 -0.128 0.000 0.813 913 E HN 0.011 nan 8.360 nan 0.000 0.514 914 K N 0.973 121.185 120.400 -0.313 0.000 2.354 914 K HA 0.101 4.427 4.320 0.011 0.000 0.194 914 K C 0.474 176.977 176.600 -0.162 0.000 1.045 914 K CA 0.289 56.367 56.287 -0.347 0.000 1.026 914 K CB 0.946 33.025 32.500 -0.701 0.000 0.866 914 K HN 0.117 nan 8.250 nan 0.000 0.530 915 S N 2.334 117.997 115.700 -0.062 0.000 2.448 915 S HA 0.227 4.703 4.470 0.011 0.000 0.279 915 S C -2.092 172.509 174.600 0.003 0.000 1.195 915 S CA -1.119 57.098 58.200 0.028 0.000 1.051 915 S CB 1.308 64.626 63.200 0.196 0.000 0.948 915 S HN -0.124 nan 8.310 nan 0.000 0.493 916 P HA -0.055 nan 4.420 nan 0.000 0.218 916 P C 0.559 177.862 177.300 0.005 0.000 1.146 916 P CA 1.327 64.424 63.100 -0.005 0.000 0.813 916 P CB -0.002 31.699 31.700 0.002 0.000 0.778 917 T N -5.973 108.598 114.554 0.029 0.000 2.889 917 T HA 0.276 4.632 4.350 0.011 0.000 0.315 917 T C 0.659 175.404 174.700 0.076 0.000 1.291 917 T CA -0.835 61.286 62.100 0.035 0.000 1.028 917 T CB 1.719 70.606 68.868 0.032 0.000 1.235 917 T HN -0.286 nan 8.240 nan 0.000 0.491 918 E N 0.851 121.092 120.200 0.069 0.000 2.130 918 E HA -0.214 4.142 4.350 0.011 0.000 0.196 918 E C 1.626 178.322 176.600 0.159 0.000 0.998 918 E CA 1.703 58.178 56.400 0.125 0.000 0.806 918 E CB -0.003 29.747 29.700 0.083 0.000 0.738 918 E HN 0.915 nan 8.360 nan 0.000 0.459 919 E N 0.647 120.906 120.200 0.098 0.000 2.051 919 E HA -0.190 4.167 4.350 0.011 0.000 0.192 919 E C 1.921 178.570 176.600 0.081 0.000 0.991 919 E CA 1.245 57.692 56.400 0.079 0.000 0.799 919 E CB 0.118 29.849 29.700 0.052 0.000 0.748 919 E HN 0.078 nan 8.360 nan 0.000 0.449 920 K N -0.425 120.026 120.400 0.085 0.000 2.148 920 K HA -0.125 4.201 4.320 0.011 0.000 0.204 920 K C 1.923 178.585 176.600 0.103 0.000 1.050 920 K CA 1.032 57.363 56.287 0.075 0.000 0.942 920 K CB -0.214 32.324 32.500 0.063 0.000 0.724 920 K HN 0.146 nan 8.250 nan 0.000 0.446 921 F N 2.219 122.173 119.950 0.007 0.000 2.134 921 F HA -0.207 4.326 4.527 0.011 0.000 0.299 921 F C 2.125 177.938 175.800 0.021 0.000 1.097 921 F CA 1.420 59.424 58.000 0.007 0.000 1.264 921 F CB 0.019 39.022 39.000 0.004 0.000 1.001 921 F HN -0.026 nan 8.300 nan 0.000 0.479 922 Q N 0.583 120.369 119.800 -0.023 0.000 2.079 922 Q HA -0.079 4.267 4.340 0.011 0.000 0.200 922 Q C 2.531 178.466 176.000 -0.108 0.000 0.974 922 Q CA 1.512 57.257 55.803 -0.096 0.000 0.840 922 Q CB -1.170 27.608 28.738 0.066 0.000 0.898 922 Q HN 0.534 nan 8.270 nan 0.000 0.430 923 A N 0.917 123.709 122.820 -0.046 0.000 1.930 923 A HA -0.004 4.322 4.320 0.011 0.000 0.217 923 A C 2.300 179.852 177.584 -0.052 0.000 1.175 923 A CA 1.670 53.690 52.037 -0.029 0.000 0.627 923 A CB -0.564 18.433 19.000 -0.005 0.000 0.815 923 A HN 0.339 nan 8.150 nan 0.000 0.443 924 A N -0.559 122.209 122.820 -0.087 0.000 1.969 924 A HA 0.036 4.363 4.320 0.011 0.000 0.218 924 A C 2.169 179.686 177.584 -0.111 0.000 1.169 924 A CA 1.695 53.692 52.037 -0.067 0.000 0.635 924 A CB -0.725 18.241 19.000 -0.057 0.000 0.810 924 A HN 0.360 nan 8.150 nan 0.000 0.445 925 V N -0.065 119.662 119.914 -0.311 0.000 2.453 925 V HA -0.220 3.906 4.120 0.011 0.000 0.247 925 V C 2.509 178.525 176.094 -0.130 0.000 1.048 925 V CA 2.262 64.360 62.300 -0.336 0.000 1.049 925 V CB -0.601 30.858 31.823 -0.607 0.000 0.672 925 V HN 0.812 nan 8.190 nan 0.000 0.457 926 E N 0.837 120.991 120.200 -0.077 0.000 2.072 926 E HA -0.260 4.097 4.350 0.011 0.000 0.191 926 E C 2.362 179.066 176.600 0.173 0.000 0.985 926 E CA 1.589 58.036 56.400 0.078 0.000 0.801 926 E CB -0.267 29.483 29.700 0.082 0.000 0.750 926 E HN 0.460 nan 8.360 nan 0.000 0.452 927 R N -0.826 119.729 120.500 0.092 0.000 2.096 927 R HA -0.145 4.202 4.340 0.011 0.000 0.235 927 R C 2.169 178.569 176.300 0.166 0.000 1.127 927 R CA 1.416 57.577 56.100 0.103 0.000 0.968 927 R CB -0.446 29.893 30.300 0.065 0.000 0.861 927 R HN 0.330 nan 8.270 nan 0.000 0.440 928 F N 0.421 120.378 119.950 0.012 0.000 2.102 928 F HA -0.183 4.350 4.527 0.011 0.000 0.298 928 F C 1.830 177.641 175.800 0.018 0.000 1.105 928 F CA 1.451 59.442 58.000 -0.015 0.000 1.239 928 F CB -0.342 38.604 39.000 -0.091 0.000 0.991 928 F HN -0.198 nan 8.300 nan 0.000 0.474 929 V N -0.296 119.676 119.914 0.097 0.000 2.287 929 V HA -0.346 3.780 4.120 0.011 0.000 0.248 929 V C 2.123 178.185 176.094 -0.055 0.000 1.053 929 V CA 2.238 64.552 62.300 0.024 0.000 1.027 929 V CB -1.074 30.805 31.823 0.093 0.000 0.646 929 V HN 0.392 nan 8.190 nan 0.000 0.447 930 Y N 1.286 121.546 120.300 -0.066 0.000 2.163 930 Y HA -0.213 4.343 4.550 0.011 0.000 0.288 930 Y C 2.928 178.759 175.900 -0.115 0.000 1.136 930 Y CA 1.765 59.801 58.100 -0.106 0.000 1.147 930 Y CB -0.702 37.694 38.460 -0.106 0.000 0.987 930 Y HN 0.406 nan 8.280 nan 0.000 0.509 931 S N -1.678 114.070 115.700 0.080 0.000 2.383 931 S HA -0.238 4.238 4.470 0.011 0.000 0.227 931 S C 2.181 176.834 174.600 0.088 0.000 1.026 931 S CA 0.992 59.268 58.200 0.127 0.000 0.981 931 S CB -1.342 61.968 63.200 0.183 0.000 0.818 931 S HN 0.589 nan 8.310 nan 0.000 0.472 932 C N 2.088 121.261 119.300 -0.211 0.000 2.429 932 C HA 0.201 4.668 4.460 0.011 0.000 0.277 932 C C 3.122 178.162 174.990 0.083 0.000 1.262 932 C CA 0.852 59.739 59.018 -0.218 0.000 1.733 932 C CB -1.698 25.613 27.740 -0.714 0.000 2.010 932 C HN 0.688 nan 8.230 nan 0.000 0.483 933 A N 0.511 123.370 122.820 0.066 0.000 1.873 933 A HA 0.112 4.439 4.320 0.011 0.000 0.215 933 A C 2.495 179.933 177.584 -0.242 0.000 1.186 933 A CA 2.118 54.062 52.037 -0.156 0.000 0.616 933 A CB -1.601 17.110 19.000 -0.482 0.000 0.823 933 A HN 0.675 nan 8.150 nan 0.000 0.442 934 G N -1.442 107.218 108.800 -0.234 0.000 2.491 934 G HA2 -0.281 3.686 3.960 0.011 0.000 0.218 934 G HA3 -0.281 3.686 3.960 0.011 0.000 0.218 934 G C 1.488 176.328 174.900 -0.100 0.000 1.180 934 G CA 1.352 46.298 45.100 -0.257 0.000 0.774 934 G HN 0.556 nan 8.290 nan 0.000 0.562 935 Y N 0.150 120.472 120.300 0.038 0.000 2.242 935 Y HA -0.110 4.447 4.550 0.011 0.000 0.291 935 Y C 3.186 179.070 175.900 -0.026 0.000 1.137 935 Y CA 0.834 58.947 58.100 0.022 0.000 1.181 935 Y CB -0.472 38.013 38.460 0.041 0.000 0.989 935 Y HN 0.235 nan 8.280 nan 0.000 0.527 936 C N -1.155 118.165 119.300 0.033 0.000 2.432 936 C HA -0.153 4.314 4.460 0.011 0.000 0.277 936 C C 2.737 177.667 174.990 -0.101 0.000 1.249 936 C CA 1.020 59.877 59.018 -0.267 0.000 1.725 936 C CB -1.127 26.178 27.740 -0.726 0.000 2.028 936 C HN 0.352 nan 8.230 nan 0.000 0.477 937 V N 1.376 121.279 119.914 -0.019 0.000 2.307 937 V HA -0.174 3.952 4.120 0.011 0.000 0.245 937 V C 2.724 179.010 176.094 0.320 0.000 1.045 937 V CA 2.218 64.614 62.300 0.160 0.000 1.024 937 V CB -1.373 30.401 31.823 -0.082 0.000 0.651 937 V HN 0.588 nan 8.190 nan 0.000 0.449 938 A N -0.734 122.230 122.820 0.240 0.000 1.902 938 A HA -0.263 4.064 4.320 0.011 0.000 0.217 938 A C 2.457 180.133 177.584 0.154 0.000 1.181 938 A CA 2.617 54.753 52.037 0.165 0.000 0.623 938 A CB -0.961 18.055 19.000 0.027 0.000 0.818 938 A HN 0.460 nan 8.150 nan 0.000 0.443 939 T N -1.898 112.763 114.554 0.178 0.000 2.904 939 T HA -0.072 4.285 4.350 0.011 0.000 0.267 939 T C 1.534 176.440 174.700 0.344 0.000 1.059 939 T CA 1.425 63.651 62.100 0.210 0.000 1.137 939 T CB -0.402 68.552 68.868 0.143 0.000 0.879 939 T HN 0.427 nan 8.240 nan 0.000 0.467 940 F N 1.547 121.687 119.950 0.316 0.000 2.113 940 F HA -0.007 4.526 4.527 0.010 0.000 0.297 940 F C 2.150 178.187 175.800 0.395 0.000 1.103 940 F CA 0.995 59.243 58.000 0.413 0.000 1.248 940 F CB -0.729 38.582 39.000 0.519 0.000 0.999 940 F HN -0.037 nan 8.300 nan 0.000 0.475 941 V N 1.078 121.119 119.914 0.211 0.000 2.392 941 V HA -0.305 3.821 4.120 0.011 0.000 0.249 941 V C 2.322 178.429 176.094 0.022 0.000 1.059 941 V CA 2.021 64.337 62.300 0.026 0.000 1.051 941 V CB -0.813 31.100 31.823 0.150 0.000 0.658 941 V HN 0.388 nan 8.190 nan 0.000 0.455 942 L N 0.251 121.542 121.223 0.113 0.000 2.591 942 L HA 0.290 4.637 4.340 0.011 0.000 0.228 942 L C 1.640 178.608 176.870 0.164 0.000 1.133 942 L CA 0.706 55.645 54.840 0.164 0.000 0.880 942 L CB -0.636 41.513 42.059 0.150 0.000 1.033 942 L HN 0.532 nan 8.230 nan 0.000 0.450 943 G N 1.992 110.851 108.800 0.097 0.000 2.273 943 G HA2 -0.291 3.676 3.960 0.011 0.000 0.280 943 G HA3 -0.291 3.676 3.960 0.011 0.000 0.280 943 G C 0.542 175.401 174.900 -0.068 0.000 1.047 943 G CA 0.675 45.613 45.100 -0.270 0.000 0.869 943 G HN 0.644 nan 8.290 nan 0.000 0.502 944 I N -3.899 116.742 120.570 0.119 0.000 3.621 944 I HA 0.532 4.708 4.170 0.011 0.000 0.325 944 I C 1.365 177.653 176.117 0.285 0.000 1.554 944 I CA 0.081 61.495 61.300 0.190 0.000 1.053 944 I CB 0.219 38.361 38.000 0.237 0.000 1.302 944 I HN 0.022 nan 8.210 nan 0.000 0.518 945 G N 0.629 109.615 108.800 0.310 0.000 2.408 945 G HA2 -0.152 3.814 3.960 0.011 0.000 0.215 945 G HA3 -0.152 3.814 3.960 0.011 0.000 0.215 945 G C 0.569 175.709 174.900 0.401 0.000 1.156 945 G CA 0.294 45.645 45.100 0.417 0.000 0.793 945 G HN 0.422 nan 8.290 nan 0.000 0.535 946 D N 1.335 121.932 120.400 0.328 0.000 2.429 946 D HA 0.109 4.755 4.640 0.011 0.000 0.253 946 D C 0.192 176.697 176.300 0.341 0.000 1.294 946 D CA 0.115 54.334 54.000 0.365 0.000 1.063 946 D CB 0.032 41.053 40.800 0.367 0.000 1.096 946 D HN 0.027 nan 8.370 nan 0.000 0.516 947 R N 1.678 122.322 120.500 0.241 0.000 2.832 947 R HA 0.271 4.617 4.340 0.011 0.000 0.271 947 R C -0.132 175.998 176.300 -0.283 0.000 0.996 947 R CA -0.960 55.090 56.100 -0.083 0.000 0.977 947 R CB 0.976 31.274 30.300 -0.004 0.000 1.168 947 R HN 0.453 nan 8.270 nan 0.000 0.482 948 H N 1.024 119.635 119.070 -0.765 0.000 2.582 948 H HA 0.146 4.708 4.556 0.011 0.000 0.345 948 H C 0.912 176.059 175.328 -0.303 0.000 1.104 948 H CA 0.064 55.764 56.048 -0.580 0.000 1.390 948 H CB 0.719 30.072 29.762 -0.682 0.000 1.461 948 H HN 0.378 nan 8.280 nan 0.000 0.551 949 N N 2.534 120.888 118.700 -0.577 0.000 2.247 949 N HA -0.200 4.546 4.740 0.011 0.000 0.189 949 N C 0.697 175.815 175.510 -0.653 0.000 1.009 949 N CA 1.394 54.129 53.050 -0.524 0.000 0.872 949 N CB -0.055 38.212 38.487 -0.365 0.000 0.980 949 N HN 0.709 nan 8.380 nan 0.000 0.436 950 D N -0.300 119.430 120.400 -1.115 0.000 2.363 950 D HA 0.043 4.689 4.640 0.011 0.000 0.220 950 D C 0.347 176.385 176.300 -0.436 0.000 0.994 950 D CA 0.486 54.102 54.000 -0.639 0.000 0.890 950 D CB -0.231 40.279 40.800 -0.482 0.000 0.906 950 D HN 0.338 nan 8.370 nan 0.000 0.530 951 N N -0.967 117.456 118.700 -0.463 0.000 2.214 951 N HA 0.229 4.975 4.740 0.011 0.000 0.214 951 N C -0.427 174.801 175.510 -0.470 0.000 1.132 951 N CA -0.083 52.735 53.050 -0.388 0.000 0.856 951 N CB 1.201 39.487 38.487 -0.335 0.000 1.020 951 N HN 0.093 nan 8.380 nan 0.000 0.509 952 I N 1.169 121.444 120.570 -0.491 0.000 2.406 952 I HA 0.365 4.542 4.170 0.011 0.000 0.290 952 I C -0.397 175.400 176.117 -0.534 0.000 0.999 952 I CA -0.439 60.525 61.300 -0.560 0.000 1.124 952 I CB 1.544 39.279 38.000 -0.442 0.000 1.289 952 I HN -0.137 nan 8.210 nan 0.000 0.441 953 M N 6.262 125.394 119.600 -0.779 0.000 2.821 953 M HA 0.651 5.137 4.480 0.011 0.000 0.304 953 M C -0.905 174.853 176.300 -0.903 0.000 1.233 953 M CA -0.883 53.876 55.300 -0.902 0.000 0.851 953 M CB 3.318 35.225 32.600 -1.156 0.000 1.723 953 M HN 0.482 nan 8.290 nan 0.000 0.493 954 I N 0.336 120.587 120.570 -0.531 0.000 2.787 954 I HA 0.378 4.555 4.170 0.011 0.000 0.294 954 I C -0.717 175.498 176.117 0.163 0.000 1.365 954 I CA -0.325 60.892 61.300 -0.139 0.000 1.029 954 I CB 2.556 40.499 38.000 -0.095 0.000 1.313 954 I HN 0.853 nan 8.210 nan 0.000 0.431 955 T N 1.151 115.914 114.554 0.348 0.000 2.918 955 T HA 0.357 4.714 4.350 0.011 0.000 0.283 955 T C 0.759 175.728 174.700 0.448 0.000 1.001 955 T CA -0.475 61.859 62.100 0.390 0.000 1.041 955 T CB 1.619 70.680 68.868 0.323 0.000 1.028 955 T HN 0.711 nan 8.240 nan 0.000 0.511 956 E N 0.083 120.508 120.200 0.375 0.000 2.267 956 E HA -0.104 4.253 4.350 0.011 0.000 0.197 956 E C 1.533 178.205 176.600 0.120 0.000 0.998 956 E CA 0.931 57.423 56.400 0.153 0.000 0.830 956 E CB -0.103 29.602 29.700 0.009 0.000 0.751 956 E HN 0.692 nan 8.360 nan 0.000 0.491 957 T N -1.121 113.530 114.554 0.161 0.000 3.169 957 T HA 0.142 4.499 4.350 0.011 0.000 0.250 957 T C 0.985 175.769 174.700 0.141 0.000 1.111 957 T CA 0.717 62.889 62.100 0.120 0.000 1.010 957 T CB -0.008 68.919 68.868 0.100 0.000 0.984 957 T HN 0.446 nan 8.240 nan 0.000 0.537 958 G N 1.686 110.613 108.800 0.213 0.000 2.176 958 G HA2 -0.218 3.748 3.960 0.011 0.000 0.253 958 G HA3 -0.218 3.748 3.960 0.011 0.000 0.253 958 G C 0.113 175.169 174.900 0.260 0.000 0.979 958 G CA -0.231 45.008 45.100 0.232 0.000 0.641 958 G HN 0.513 nan 8.290 nan 0.000 0.530 959 N N 0.635 119.486 118.700 0.252 0.000 2.406 959 N HA 0.413 5.160 4.740 0.011 0.000 0.251 959 N C 0.343 176.044 175.510 0.318 0.000 1.069 959 N CA -0.194 53.017 53.050 0.267 0.000 0.947 959 N CB 0.868 39.511 38.487 0.260 0.000 1.111 959 N HN 0.537 nan 8.380 nan 0.000 0.497 960 L N 4.713 126.044 121.223 0.180 0.000 2.418 960 L HA 0.563 4.909 4.340 0.011 0.000 0.265 960 L C -0.960 175.922 176.870 0.020 0.000 1.143 960 L CA -0.340 54.488 54.840 -0.020 0.000 0.809 960 L CB 0.262 42.185 42.059 -0.227 0.000 1.124 960 L HN 0.487 nan 8.230 nan 0.000 0.456 961 F N 0.848 120.562 119.950 -0.394 0.000 2.660 961 F HA 0.395 4.928 4.527 0.010 0.000 0.320 961 F C -0.950 174.591 175.800 -0.430 0.000 1.099 961 F CA -0.982 56.551 58.000 -0.778 0.000 1.061 961 F CB 0.292 39.217 39.000 -0.125 0.000 1.300 961 F HN 0.479 nan 8.300 nan 0.000 0.479 962 H N 3.350 122.128 119.070 -0.487 0.000 2.603 962 H HA 0.788 5.351 4.556 0.011 0.000 0.370 962 H C -0.000 175.299 175.328 -0.047 0.000 1.225 962 H CA 0.303 56.273 56.048 -0.130 0.000 1.410 962 H CB 2.034 31.913 29.762 0.194 0.000 1.495 962 H HN 0.810 nan 8.280 nan 0.000 0.602 963 I N -3.145 117.210 120.570 -0.358 0.000 3.334 963 I HA 0.257 4.434 4.170 0.011 0.000 0.316 963 I C -1.022 174.693 176.117 -0.669 0.000 1.251 963 I CA -1.061 59.998 61.300 -0.401 0.000 0.929 963 I CB 2.104 39.977 38.000 -0.212 0.000 1.317 963 I HN 0.498 nan 8.210 nan 0.000 0.479 964 D N 0.881 121.065 120.400 -0.360 0.000 2.699 964 D HA -0.200 4.447 4.640 0.011 0.000 0.239 964 D C 0.130 176.330 176.300 -0.168 0.000 1.136 964 D CA 1.050 54.930 54.000 -0.199 0.000 0.668 964 D CB -1.218 39.480 40.800 -0.168 0.000 1.060 964 D HN 0.548 nan 8.370 nan 0.000 0.429 965 F N 0.004 120.041 119.950 0.144 0.000 2.407 965 F HA 0.089 4.623 4.527 0.011 0.000 0.299 965 F C 2.524 178.385 175.800 0.101 0.000 1.097 965 F CA 0.313 58.387 58.000 0.123 0.000 1.422 965 F CB 0.072 39.147 39.000 0.124 0.000 1.067 965 F HN 0.251 nan 8.300 nan 0.000 0.539 966 G N 0.943 109.884 108.800 0.235 0.000 2.379 966 G HA2 -0.073 3.894 3.960 0.011 0.000 0.289 966 G HA3 -0.073 3.894 3.960 0.011 0.000 0.289 966 G C -0.341 174.686 174.900 0.212 0.000 0.604 966 G CA 0.783 45.983 45.100 0.168 0.000 2.090 966 G HN 0.549 nan 8.290 nan 0.000 0.522 982 R N 0.153 120.623 120.500 -0.050 0.000 2.905 982 R HA 0.836 5.182 4.340 0.011 0.000 0.260 982 R C -0.817 175.476 176.300 -0.012 0.000 1.086 982 R CA -1.026 55.059 56.100 -0.026 0.000 0.978 982 R CB 1.225 31.528 30.300 0.005 0.000 1.215 982 R HN 0.253 nan 8.270 nan 0.000 0.480 983 V N 1.461 121.391 119.914 0.027 0.000 2.971 983 V HA 0.268 4.395 4.120 0.011 0.000 0.309 983 V C -1.608 174.479 176.094 -0.011 0.000 1.130 983 V CA -1.657 60.625 62.300 -0.030 0.000 0.964 983 V CB 2.975 34.790 31.823 -0.013 0.000 1.029 983 V HN 0.686 nan 8.190 nan 0.000 0.427 984 P HA -0.018 nan 4.420 nan 0.000 0.219 984 P C -0.220 177.173 177.300 0.155 0.000 1.150 984 P CA 1.519 64.569 63.100 -0.084 0.000 0.814 984 P CB 0.195 31.545 31.700 -0.582 0.000 0.787 985 F N -4.396 115.658 119.950 0.173 0.000 2.926 985 F HA 0.449 4.982 4.527 0.010 0.000 0.321 985 F C -1.412 174.506 175.800 0.196 0.000 1.168 985 F CA -1.859 56.281 58.000 0.233 0.000 0.890 985 F CB 0.307 39.458 39.000 0.252 0.000 1.357 985 F HN -0.472 nan 8.300 nan 0.000 0.468 986 V N 2.441 122.718 119.914 0.604 0.000 2.353 986 V HA 0.515 4.642 4.120 0.011 0.000 0.264 986 V C -0.800 175.515 176.094 0.369 0.000 1.049 986 V CA -0.134 62.385 62.300 0.365 0.000 0.896 986 V CB 0.697 32.697 31.823 0.294 0.000 1.025 986 V HN 0.651 nan 8.190 nan 0.000 0.475 987 L N 6.737 128.059 121.223 0.165 0.000 2.489 987 L HA 0.479 4.826 4.340 0.011 0.000 0.257 987 L C 0.408 177.144 176.870 -0.222 0.000 1.215 987 L CA 0.121 55.032 54.840 0.118 0.000 0.915 987 L CB 1.396 43.680 42.059 0.375 0.000 1.146 987 L HN 0.736 nan 8.230 nan 0.000 0.494 988 T N 0.184 114.352 114.554 -0.644 0.000 2.881 988 T HA 0.507 4.864 4.350 0.011 0.000 0.278 988 T C -1.897 172.359 174.700 -0.739 0.000 0.982 988 T CA -1.708 59.889 62.100 -0.839 0.000 0.989 988 T CB 0.982 69.154 68.868 -1.160 0.000 1.058 988 T HN 0.241 nan 8.240 nan 0.000 0.529 989 P HA -0.149 nan 4.420 nan 0.000 0.217 989 P C 1.034 178.238 177.300 -0.160 0.000 1.148 989 P CA 1.332 64.115 63.100 -0.529 0.000 0.828 989 P CB -0.109 31.210 31.700 -0.636 0.000 0.783 990 D N -1.297 119.017 120.400 -0.144 0.000 2.117 990 D HA -0.187 4.459 4.640 0.011 0.000 0.198 990 D C 1.632 178.126 176.300 0.324 0.000 0.982 990 D CA 1.236 55.358 54.000 0.203 0.000 0.828 990 D CB -1.474 39.530 40.800 0.340 0.000 0.967 990 D HN 0.089 nan 8.370 nan 0.000 0.464 991 F N 0.792 120.772 119.950 0.049 0.000 2.102 991 F HA 0.072 4.605 4.527 0.010 0.000 0.298 991 F C 2.462 178.339 175.800 0.127 0.000 1.105 991 F CA 0.173 58.303 58.000 0.216 0.000 1.239 991 F CB -1.113 38.051 39.000 0.273 0.000 0.991 991 F HN -0.021 nan 8.300 nan 0.000 0.474 992 L N -1.403 119.944 121.223 0.207 0.000 2.042 992 L HA -0.259 4.088 4.340 0.011 0.000 0.210 992 L C 2.487 179.406 176.870 0.081 0.000 1.076 992 L CA 1.301 56.189 54.840 0.080 0.000 0.749 992 L CB -0.840 41.185 42.059 -0.056 0.000 0.893 992 L HN 0.040 nan 8.230 nan 0.000 0.432 993 F N 0.256 120.205 119.950 -0.001 0.000 2.126 993 F HA -0.205 4.328 4.527 0.011 0.000 0.299 993 F C 2.248 178.054 175.800 0.010 0.000 1.096 993 F CA 1.447 59.450 58.000 0.004 0.000 1.255 993 F CB -0.264 38.739 39.000 0.006 0.000 0.997 993 F HN -0.251 nan 8.300 nan 0.000 0.479 994 V N 0.377 120.253 119.914 -0.063 0.000 2.594 994 V HA -0.318 3.809 4.120 0.011 0.000 0.253 994 V C 2.163 178.138 176.094 -0.198 0.000 1.069 994 V CA 2.097 64.264 62.300 -0.223 0.000 1.082 994 V CB -0.655 30.833 31.823 -0.558 0.000 0.680 994 V HN 0.402 nan 8.190 nan 0.000 0.469 995 M N -0.560 119.007 119.600 -0.056 0.000 2.495 995 M HA 0.288 4.775 4.480 0.011 0.000 0.237 995 M C 1.265 177.612 176.300 0.077 0.000 1.131 995 M CA 0.843 56.177 55.300 0.057 0.000 1.032 995 M CB 0.517 33.233 32.600 0.193 0.000 1.513 995 M HN 0.453 nan 8.290 nan 0.000 0.488 996 G N 1.704 110.445 108.800 -0.097 0.000 2.248 996 G HA2 -0.176 3.790 3.960 0.011 0.000 0.252 996 G HA3 -0.176 3.790 3.960 0.011 0.000 0.252 996 G C -0.235 174.626 174.900 -0.066 0.000 1.085 996 G CA 0.145 45.170 45.100 -0.124 0.000 0.845 996 G HN 0.399 nan 8.290 nan 0.000 0.494 997 T N -0.894 113.613 114.554 -0.078 0.000 2.816 997 T HA 0.900 5.257 4.350 0.011 0.000 0.299 997 T C -0.313 174.357 174.700 -0.050 0.000 1.230 997 T CA 0.081 62.125 62.100 -0.094 0.000 1.007 997 T CB 2.308 71.028 68.868 -0.247 0.000 1.289 997 T HN 1.873 nan 8.240 nan 0.000 0.508 998 S N -0.664 114.991 115.700 -0.075 0.000 2.606 998 S HA 0.538 5.015 4.470 0.011 0.000 0.290 998 S C 0.106 174.669 174.600 -0.063 0.000 1.103 998 S CA -0.001 58.177 58.200 -0.036 0.000 0.870 998 S CB 0.723 63.969 63.200 0.078 0.000 1.077 998 S HN 2.244 nan 8.310 nan 0.000 0.448 999 G N 2.514 111.267 108.800 -0.078 0.000 2.367 999 G HA2 -0.163 3.804 3.960 0.011 0.000 0.295 999 G HA3 -0.163 3.804 3.960 0.011 0.000 0.295 999 G C 0.296 175.145 174.900 -0.084 0.000 1.019 999 G CA 0.265 45.324 45.100 -0.068 0.000 1.224 999 G HN 1.412 nan 8.290 nan 0.000 0.510 1000 K N -1.580 118.747 120.400 -0.123 0.000 3.278 1000 K HA -0.221 4.106 4.320 0.011 0.000 0.270 1000 K C 1.097 177.633 176.600 -0.106 0.000 0.955 1000 K CA 2.033 58.250 56.287 -0.117 0.000 0.723 1000 K CB -0.576 31.884 32.500 -0.066 0.000 1.382 1000 K HN 0.832 nan 8.250 nan 0.000 0.461 1001 K N -0.459 119.847 120.400 -0.156 0.000 2.066 1001 K HA 0.482 4.809 4.320 0.011 0.000 0.261 1001 K C 0.041 176.563 176.600 -0.130 0.000 0.992 1001 K CA 0.063 56.286 56.287 -0.107 0.000 1.309 1001 K CB 0.841 33.292 32.500 -0.083 0.000 2.459 1001 K HN 0.114 nan 8.250 nan 0.000 0.942 1002 T N -0.931 113.578 114.554 -0.076 0.000 2.718 1002 T HA 0.535 4.891 4.350 0.011 0.000 0.306 1002 T C -1.733 173.006 174.700 0.065 0.000 1.485 1002 T CA -0.687 61.429 62.100 0.026 0.000 0.997 1002 T CB 1.230 70.157 68.868 0.099 0.000 1.504 1002 T HN 0.742 nan 8.240 nan 0.000 0.497 1003 S N -0.848 114.956 115.700 0.173 0.000 2.622 1003 S HA 0.471 4.948 4.470 0.011 0.000 0.275 1003 S C -2.959 171.726 174.600 0.142 0.000 1.112 1003 S CA -0.955 57.323 58.200 0.131 0.000 0.837 1003 S CB 1.002 64.278 63.200 0.127 0.000 1.082 1003 S HN 0.376 nan 8.310 nan 0.000 0.456 1004 P HA -0.082 nan 4.420 nan 0.000 0.215 1004 P C 1.207 178.499 177.300 -0.013 0.000 1.153 1004 P CA 1.413 64.493 63.100 -0.032 0.000 0.853 1004 P CB -0.101 31.514 31.700 -0.143 0.000 0.788 1005 H N -2.462 116.670 119.070 0.103 0.000 2.363 1005 H HA -0.026 4.536 4.556 0.011 0.000 0.301 1005 H C 1.903 177.335 175.328 0.173 0.000 1.074 1005 H CA 1.015 57.131 56.048 0.113 0.000 1.354 1005 H CB -0.964 28.860 29.762 0.103 0.000 1.397 1005 H HN 0.143 nan 8.280 nan 0.000 0.516 1006 F N 2.129 122.192 119.950 0.189 0.000 2.186 1006 F HA -0.142 4.391 4.527 0.011 0.000 0.299 1006 F C 2.370 178.297 175.800 0.212 0.000 1.090 1006 F CA 1.124 59.229 58.000 0.175 0.000 1.307 1006 F CB -0.074 38.986 39.000 0.100 0.000 1.019 1006 F HN 0.036 nan 8.300 nan 0.000 0.489 1007 Q N 0.076 119.951 119.800 0.125 0.000 2.124 1007 Q HA -0.243 4.103 4.340 0.011 0.000 0.202 1007 Q C 2.134 178.074 176.000 -0.099 0.000 0.977 1007 Q CA 1.734 57.518 55.803 -0.032 0.000 0.850 1007 Q CB -0.269 28.505 28.738 0.059 0.000 0.901 1007 Q HN 0.275 nan 8.270 nan 0.000 0.429 1008 K N 1.088 121.473 120.400 -0.025 0.000 2.026 1008 K HA -0.200 4.127 4.320 0.011 0.000 0.208 1008 K C 1.658 178.156 176.600 -0.171 0.000 1.048 1008 K CA 1.352 57.597 56.287 -0.070 0.000 0.929 1008 K CB -0.613 31.896 32.500 0.015 0.000 0.713 1008 K HN 0.168 nan 8.250 nan 0.000 0.439 1009 F N 1.688 121.479 119.950 -0.265 0.000 2.091 1009 F HA -0.271 4.262 4.527 0.011 0.000 0.299 1009 F C 1.948 177.521 175.800 -0.377 0.000 1.103 1009 F CA 2.104 59.905 58.000 -0.331 0.000 1.228 1009 F CB -0.415 38.434 39.000 -0.251 0.000 0.984 1009 F HN 0.199 nan 8.300 nan 0.000 0.477 1010 Q N -0.423 119.061 119.800 -0.526 0.000 2.084 1010 Q HA -0.233 4.114 4.340 0.011 0.000 0.202 1010 Q C 1.874 177.630 176.000 -0.407 0.000 0.978 1010 Q CA 1.793 57.275 55.803 -0.536 0.000 0.844 1010 Q CB -0.441 28.059 28.738 -0.397 0.000 0.898 1010 Q HN 0.516 nan 8.270 nan 0.000 0.426 1011 D N 0.662 120.872 120.400 -0.317 0.000 2.097 1011 D HA -0.116 4.530 4.640 0.011 0.000 0.197 1011 D C 1.728 177.838 176.300 -0.316 0.000 0.984 1011 D CA 0.951 54.805 54.000 -0.243 0.000 0.826 1011 D CB -0.028 40.672 40.800 -0.168 0.000 0.973 1011 D HN 0.176 nan 8.370 nan 0.000 0.460 1012 I N 0.039 120.363 120.570 -0.410 0.000 2.163 1012 I HA -0.334 3.842 4.170 0.011 0.000 0.243 1012 I C 2.541 178.320 176.117 -0.563 0.000 1.085 1012 I CA 0.656 61.666 61.300 -0.483 0.000 1.347 1012 I CB -0.625 37.000 38.000 -0.624 0.000 1.044 1012 I HN 0.213 nan 8.210 nan 0.000 0.408 1013 C N 0.422 119.307 119.300 -0.690 0.000 2.393 1013 C HA -0.163 4.303 4.460 0.011 0.000 0.276 1013 C C 2.985 177.588 174.990 -0.644 0.000 1.215 1013 C CA 0.865 59.427 59.018 -0.762 0.000 1.743 1013 C CB -0.809 26.463 27.740 -0.781 0.000 2.044 1013 C HN 0.372 nan 8.230 nan 0.000 0.464 1014 V N 0.984 120.638 119.914 -0.433 0.000 2.233 1014 V HA -0.275 3.852 4.120 0.011 0.000 0.247 1014 V C 2.498 178.466 176.094 -0.210 0.000 1.050 1014 V CA 2.437 64.589 62.300 -0.246 0.000 1.010 1014 V CB -0.719 31.032 31.823 -0.120 0.000 0.637 1014 V HN 0.602 nan 8.190 nan 0.000 0.444 1015 K N 0.042 120.307 120.400 -0.225 0.000 2.113 1015 K HA -0.227 4.100 4.320 0.011 0.000 0.208 1015 K C 2.022 178.493 176.600 -0.214 0.000 1.047 1015 K CA 1.805 57.985 56.287 -0.179 0.000 0.928 1015 K CB -0.323 32.076 32.500 -0.169 0.000 0.716 1015 K HN 0.461 nan 8.250 nan 0.000 0.446 1016 A N -0.031 122.570 122.820 -0.366 0.000 1.898 1016 A HA -0.134 4.193 4.320 0.011 0.000 0.214 1016 A C 2.014 179.559 177.584 -0.065 0.000 1.183 1016 A CA 1.080 52.836 52.037 -0.469 0.000 0.622 1016 A CB -0.784 17.671 19.000 -0.909 0.000 0.824 1016 A HN 0.560 nan 8.150 nan 0.000 0.444 1017 Y N 1.650 121.743 120.300 -0.346 0.000 2.145 1017 Y HA -0.156 4.401 4.550 0.011 0.000 0.286 1017 Y C 1.783 177.604 175.900 -0.132 0.000 1.145 1017 Y CA 1.751 59.687 58.100 -0.274 0.000 1.148 1017 Y CB -0.468 37.638 38.460 -0.590 0.000 0.981 1017 Y HN 0.283 nan 8.280 nan 0.000 0.507 1018 L N -0.543 120.490 121.223 -0.317 0.000 2.552 1018 L HA 0.309 4.655 4.340 0.011 0.000 0.227 1018 L C 2.077 178.569 176.870 -0.629 0.000 1.146 1018 L CA 1.399 55.942 54.840 -0.496 0.000 0.858 1018 L CB -1.676 40.189 42.059 -0.323 0.000 0.969 1018 L HN 0.123 nan 8.230 nan 0.000 0.451 1019 A N 0.243 122.918 122.820 -0.242 0.000 1.975 1019 A HA 0.175 4.501 4.320 0.011 0.000 0.215 1019 A C 2.213 179.852 177.584 0.092 0.000 1.170 1019 A CA 1.018 53.060 52.037 0.008 0.000 0.656 1019 A CB -0.534 18.669 19.000 0.339 0.000 0.821 1019 A HN 0.456 nan 8.150 nan 0.000 0.449 1020 L N -1.024 120.231 121.223 0.054 0.000 2.179 1020 L HA -0.064 4.283 4.340 0.011 0.000 0.208 1020 L C 2.681 179.525 176.870 -0.044 0.000 1.096 1020 L CA 0.714 55.565 54.840 0.019 0.000 0.779 1020 L CB -0.413 41.669 42.059 0.038 0.000 0.922 1020 L HN 0.333 nan 8.230 nan 0.000 0.443 1021 R N -0.520 119.840 120.500 -0.234 0.000 2.092 1021 R HA -0.134 4.213 4.340 0.011 0.000 0.231 1021 R C 1.974 178.195 176.300 -0.132 0.000 1.119 1021 R CA 1.188 57.138 56.100 -0.249 0.000 0.970 1021 R CB -0.539 29.512 30.300 -0.415 0.000 0.864 1021 R HN 0.492 nan 8.270 nan 0.000 0.440 1022 H N -0.820 118.215 119.070 -0.058 0.000 2.541 1022 H HA -0.075 4.487 4.556 0.010 0.000 0.289 1022 H C 0.545 175.653 175.328 -0.366 0.000 1.054 1022 H CA 0.624 56.569 56.048 -0.172 0.000 1.250 1022 H CB 0.084 29.752 29.762 -0.157 0.000 1.369 1022 H HN 0.330 nan 8.280 nan 0.000 0.578 1023 H N -1.072 118.017 119.070 0.032 0.000 2.549 1023 H HA 0.107 4.670 4.556 0.011 0.000 0.253 1023 H C 1.014 176.331 175.328 -0.019 0.000 1.170 1023 H CA 0.015 56.067 56.048 0.007 0.000 0.943 1023 H CB 0.704 30.463 29.762 -0.005 0.000 1.849 1023 H HN 0.248 nan 8.280 nan 0.000 0.603 1024 T N 1.209 115.783 114.554 0.034 0.000 2.649 1024 T HA -0.210 4.147 4.350 0.011 0.000 0.268 1024 T C 1.932 176.644 174.700 0.020 0.000 1.036 1024 T CA 1.708 63.809 62.100 0.001 0.000 1.157 1024 T CB 0.087 68.935 68.868 -0.033 0.000 0.861 1024 T HN 0.463 nan 8.240 nan 0.000 0.445 1025 N N 1.059 119.775 118.700 0.027 0.000 2.120 1025 N HA 0.011 4.757 4.740 0.011 0.000 0.188 1025 N C 1.847 177.391 175.510 0.055 0.000 1.024 1025 N CA 0.590 53.662 53.050 0.037 0.000 0.852 1025 N CB -0.717 37.790 38.487 0.033 0.000 1.003 1025 N HN 0.290 nan 8.380 nan 0.000 0.424 1026 L N 0.862 122.128 121.223 0.072 0.000 2.042 1026 L HA -0.113 4.233 4.340 0.011 0.000 0.210 1026 L C 1.925 178.845 176.870 0.082 0.000 1.076 1026 L CA 1.230 56.118 54.840 0.080 0.000 0.749 1026 L CB -0.301 41.824 42.059 0.110 0.000 0.893 1026 L HN 0.153 nan 8.230 nan 0.000 0.432 1027 L N -0.535 120.729 121.223 0.068 0.000 2.027 1027 L HA -0.258 4.088 4.340 0.011 0.000 0.206 1027 L C 2.555 179.482 176.870 0.094 0.000 1.074 1027 L CA 1.199 56.074 54.840 0.058 0.000 0.745 1027 L CB -0.413 41.652 42.059 0.010 0.000 0.898 1027 L HN 0.236 nan 8.230 nan 0.000 0.433 1028 I N -0.413 120.197 120.570 0.066 0.000 2.208 1028 I HA -0.332 3.845 4.170 0.011 0.000 0.245 1028 I C 2.502 178.712 176.117 0.155 0.000 1.097 1028 I CA 1.224 62.582 61.300 0.097 0.000 1.363 1028 I CB -0.162 37.870 38.000 0.052 0.000 1.051 1028 I HN 0.232 nan 8.210 nan 0.000 0.413 1029 I N 0.586 121.223 120.570 0.110 0.000 2.252 1029 I HA -0.232 3.944 4.170 0.011 0.000 0.245 1029 I C 2.428 178.613 176.117 0.113 0.000 1.102 1029 I CA 1.724 63.082 61.300 0.096 0.000 1.385 1029 I CB -0.607 37.434 38.000 0.069 0.000 1.064 1029 I HN 0.212 nan 8.210 nan 0.000 0.414 1030 L N -0.954 120.346 121.223 0.128 0.000 2.056 1030 L HA -0.240 4.107 4.340 0.011 0.000 0.207 1030 L C 2.546 179.502 176.870 0.143 0.000 1.078 1030 L CA 1.168 56.083 54.840 0.124 0.000 0.749 1030 L CB -0.810 41.321 42.059 0.119 0.000 0.901 1030 L HN 0.101 nan 8.230 nan 0.000 0.433 1031 F N 0.354 120.319 119.950 0.024 0.000 2.171 1031 F HA -0.249 4.284 4.527 0.010 0.000 0.300 1031 F C 2.835 178.656 175.800 0.034 0.000 1.090 1031 F CA 1.620 59.637 58.000 0.028 0.000 1.293 1031 F CB -0.204 38.821 39.000 0.042 0.000 1.013 1031 F HN 0.016 nan 8.300 nan 0.000 0.486 1032 S N 0.019 115.813 115.700 0.158 0.000 2.368 1032 S HA -0.198 4.278 4.470 0.011 0.000 0.224 1032 S C 2.070 176.660 174.600 -0.016 0.000 1.029 1032 S CA 1.502 59.730 58.200 0.046 0.000 0.988 1032 S CB -0.299 62.953 63.200 0.087 0.000 0.838 1032 S HN 0.495 nan 8.310 nan 0.000 0.462 1033 M N 0.521 120.137 119.600 0.028 0.000 2.200 1033 M HA 0.034 4.521 4.480 0.011 0.000 0.265 1033 M C 2.389 178.703 176.300 0.024 0.000 1.066 1033 M CA 1.430 56.781 55.300 0.086 0.000 1.127 1033 M CB -0.370 32.313 32.600 0.139 0.000 1.379 1033 M HN 0.499 nan 8.290 nan 0.000 0.420 1034 M N 0.889 120.455 119.600 -0.057 0.000 2.108 1034 M HA -0.227 4.260 4.480 0.011 0.000 0.261 1034 M C 1.816 178.021 176.300 -0.158 0.000 1.066 1034 M CA 1.772 57.002 55.300 -0.117 0.000 1.107 1034 M CB -0.109 32.403 32.600 -0.147 0.000 1.356 1034 M HN 0.247 nan 8.290 nan 0.000 0.406 1035 L N -0.189 120.896 121.223 -0.229 0.000 2.046 1035 L HA -0.213 4.134 4.340 0.011 0.000 0.208 1035 L C 2.606 179.417 176.870 -0.097 0.000 1.077 1035 L CA 1.457 56.175 54.840 -0.203 0.000 0.747 1035 L CB -0.805 41.088 42.059 -0.276 0.000 0.896 1035 L HN 0.473 nan 8.230 nan 0.000 0.432 1036 M N -0.512 119.066 119.600 -0.037 0.000 2.229 1036 M HA -0.130 4.356 4.480 0.011 0.000 0.264 1036 M C 2.109 178.399 176.300 -0.016 0.000 1.063 1036 M CA 2.134 57.450 55.300 0.026 0.000 1.114 1036 M CB -0.422 32.273 32.600 0.159 0.000 1.387 1036 M HN 0.425 nan 8.290 nan 0.000 0.420 1037 T N -4.012 110.510 114.554 -0.054 0.000 3.001 1037 T HA 0.253 4.609 4.350 0.011 0.000 0.251 1037 T C 1.418 176.030 174.700 -0.146 0.000 1.040 1037 T CA 0.478 62.489 62.100 -0.147 0.000 0.985 1037 T CB 0.254 68.997 68.868 -0.208 0.000 1.011 1037 T HN 0.342 nan 8.240 nan 0.000 0.509 1038 G N 2.140 110.863 108.800 -0.128 0.000 2.808 1038 G HA2 0.349 4.315 3.960 0.011 0.000 0.210 1038 G HA3 0.349 4.315 3.960 0.011 0.000 0.210 1038 G C 0.696 175.513 174.900 -0.137 0.000 1.177 1038 G CA -0.272 44.747 45.100 -0.135 0.000 0.853 1038 G HN 0.356 nan 8.290 nan 0.000 0.625 1039 M N 0.915 120.434 119.600 -0.136 0.000 2.163 1039 M HA 0.320 4.806 4.480 0.011 0.000 0.305 1039 M C -1.841 174.370 176.300 -0.148 0.000 1.166 1039 M CA -1.825 53.373 55.300 -0.170 0.000 1.132 1039 M CB -0.166 32.365 32.600 -0.114 0.000 1.413 1039 M HN -0.166 nan 8.290 nan 0.000 0.478 1040 P HA -0.091 nan 4.420 nan 0.000 0.201 1040 P C -0.262 177.007 177.300 -0.052 0.000 0.995 1040 P CA 1.038 64.074 63.100 -0.105 0.000 0.866 1040 P CB 0.118 31.761 31.700 -0.094 0.000 0.652 1041 Q N -0.377 119.420 119.800 -0.007 0.000 2.337 1041 Q HA 0.476 4.823 4.340 0.011 0.000 0.266 1041 Q C -1.416 174.618 176.000 0.056 0.000 1.023 1041 Q CA -0.630 55.188 55.803 0.026 0.000 0.829 1041 Q CB 0.705 29.462 28.738 0.031 0.000 1.306 1041 Q HN 0.002 nan 8.270 nan 0.000 0.449 1042 L N 0.796 122.059 121.223 0.068 0.000 2.354 1042 L HA 0.695 5.042 4.340 0.011 0.000 0.269 1042 L C -0.608 176.326 176.870 0.107 0.000 1.005 1042 L CA -0.722 54.158 54.840 0.068 0.000 0.819 1042 L CB 0.835 42.903 42.059 0.014 0.000 1.311 1042 L HN 0.520 nan 8.230 nan 0.000 0.423 1043 T N 1.122 115.737 114.554 0.102 0.000 2.853 1043 T HA 0.082 4.439 4.350 0.011 0.000 0.298 1043 T C 1.308 176.040 174.700 0.052 0.000 0.978 1043 T CA 0.089 62.256 62.100 0.112 0.000 1.152 1043 T CB 0.365 69.294 68.868 0.102 0.000 0.914 1043 T HN 0.693 nan 8.240 nan 0.000 0.539 1044 S N 3.073 118.769 115.700 -0.007 0.000 2.795 1044 S HA 0.016 4.493 4.470 0.011 0.000 0.236 1044 S C 1.066 175.629 174.600 -0.061 0.000 0.973 1044 S CA 0.694 58.810 58.200 -0.139 0.000 0.982 1044 S CB -0.154 62.806 63.200 -0.400 0.000 0.786 1044 S HN 0.633 nan 8.310 nan 0.000 0.538 1045 K N -0.366 120.039 120.400 0.010 0.000 2.849 1045 K HA 0.159 4.485 4.320 0.011 0.000 0.277 1045 K C 1.117 177.761 176.600 0.074 0.000 2.406 1045 K CA -0.419 55.887 56.287 0.032 0.000 1.295 1045 K CB -0.049 32.467 32.500 0.027 0.000 2.726 1045 K HN -0.081 nan 8.250 nan 0.000 0.388 1046 E N 1.921 122.170 120.200 0.081 0.000 2.181 1046 E HA -0.321 4.035 4.350 0.011 0.000 0.225 1046 E C 1.325 178.016 176.600 0.151 0.000 1.073 1046 E CA 2.251 58.715 56.400 0.106 0.000 0.916 1046 E CB -0.223 29.535 29.700 0.097 0.000 0.793 1046 E HN 0.277 nan 8.360 nan 0.000 0.472 1047 D N 0.086 120.574 120.400 0.147 0.000 2.120 1047 D HA -0.187 4.459 4.640 0.011 0.000 0.191 1047 D C 2.069 178.563 176.300 0.324 0.000 0.994 1047 D CA 1.365 55.480 54.000 0.191 0.000 0.838 1047 D CB -0.250 40.622 40.800 0.120 0.000 0.976 1047 D HN 0.109 nan 8.370 nan 0.000 0.447 1048 I N 1.143 121.874 120.570 0.268 0.000 2.151 1048 I HA -0.233 3.944 4.170 0.011 0.000 0.243 1048 I C 2.362 178.684 176.117 0.341 0.000 1.080 1048 I CA 1.016 62.551 61.300 0.391 0.000 1.339 1048 I CB -1.532 36.587 38.000 0.197 0.000 1.039 1048 I HN 0.145 nan 8.210 nan 0.000 0.409 1049 E N 0.115 120.431 120.200 0.194 0.000 2.284 1049 E HA -0.297 4.060 4.350 0.011 0.000 0.200 1049 E C 2.168 178.808 176.600 0.067 0.000 1.008 1049 E CA 1.154 57.618 56.400 0.106 0.000 0.829 1049 E CB -0.314 29.437 29.700 0.085 0.000 0.744 1049 E HN 0.552 nan 8.360 nan 0.000 0.491 1050 Y N 0.731 121.055 120.300 0.040 0.000 2.053 1050 Y HA -0.298 4.259 4.550 0.011 0.000 0.277 1050 Y C 2.105 177.888 175.900 -0.195 0.000 1.159 1050 Y CA 2.004 60.077 58.100 -0.046 0.000 1.125 1050 Y CB -0.614 37.848 38.460 0.003 0.000 0.969 1050 Y HN 0.132 nan 8.280 nan 0.000 0.492 1051 I N 0.604 120.882 120.570 -0.486 0.000 2.300 1051 I HA -0.354 3.823 4.170 0.011 0.000 0.252 1051 I C 2.514 178.389 176.117 -0.403 0.000 1.119 1051 I CA 1.702 62.617 61.300 -0.642 0.000 1.384 1051 I CB -0.427 37.096 38.000 -0.794 0.000 1.062 1051 I HN 0.223 nan 8.210 nan 0.000 0.426 1052 R N 0.459 120.802 120.500 -0.262 0.000 2.066 1052 R HA -0.142 4.205 4.340 0.011 0.000 0.232 1052 R C 2.011 178.193 176.300 -0.195 0.000 1.131 1052 R CA 1.957 57.955 56.100 -0.169 0.000 0.955 1052 R CB -0.338 29.907 30.300 -0.092 0.000 0.851 1052 R HN 0.444 nan 8.270 nan 0.000 0.432 1053 D N -0.079 120.177 120.400 -0.241 0.000 2.117 1053 D HA -0.128 4.518 4.640 0.011 0.000 0.198 1053 D C 1.704 177.857 176.300 -0.245 0.000 0.982 1053 D CA 1.456 55.327 54.000 -0.214 0.000 0.828 1053 D CB -0.178 40.520 40.800 -0.170 0.000 0.967 1053 D HN 0.324 nan 8.370 nan 0.000 0.464 1054 A N 0.909 123.445 122.820 -0.473 0.000 1.933 1054 A HA -0.081 4.246 4.320 0.011 0.000 0.218 1054 A C 2.184 179.805 177.584 0.061 0.000 1.175 1054 A CA 0.742 52.546 52.037 -0.388 0.000 0.628 1054 A CB -0.647 17.758 19.000 -0.992 0.000 0.814 1054 A HN 0.192 nan 8.150 nan 0.000 0.444 1055 L N -0.104 121.081 121.223 -0.064 0.000 2.627 1055 L HA 0.034 4.380 4.340 0.011 0.000 0.232 1055 L C 1.195 178.044 176.870 -0.035 0.000 1.150 1055 L CA 0.455 55.303 54.840 0.014 0.000 0.917 1055 L CB -0.443 41.568 42.059 -0.080 0.000 1.104 1055 L HN 0.447 nan 8.230 nan 0.000 0.445 1056 T N 0.107 114.617 114.554 -0.073 0.000 3.558 1056 T HA -0.186 4.170 4.350 0.011 0.000 0.391 1056 T C 0.302 174.927 174.700 -0.125 0.000 0.766 1056 T CA -0.156 61.833 62.100 -0.185 0.000 1.951 1056 T CB -1.127 67.602 68.868 -0.233 0.000 1.743 1056 T HN 0.050 nan 8.240 nan 0.000 0.688 1057 V N 2.026 121.874 119.914 -0.108 0.000 2.557 1057 V HA 0.423 4.549 4.120 0.011 0.000 0.301 1057 V C 1.976 178.030 176.094 -0.067 0.000 1.026 1057 V CA 1.475 63.727 62.300 -0.080 0.000 1.137 1057 V CB 0.454 32.237 31.823 -0.067 0.000 0.917 1057 V HN 1.194 nan 8.190 nan 0.000 0.484 1058 G N 4.449 113.218 108.800 -0.052 0.000 2.475 1058 G HA2 -0.178 3.788 3.960 0.011 0.000 0.209 1058 G HA3 -0.178 3.788 3.960 0.011 0.000 0.209 1058 G C 0.392 175.271 174.900 -0.035 0.000 1.127 1058 G CA -0.229 44.848 45.100 -0.039 0.000 0.681 1058 G HN 0.542 nan 8.290 nan 0.000 0.517 1059 K N 2.072 122.444 120.400 -0.046 0.000 2.286 1059 K HA 0.291 4.617 4.320 0.011 0.000 0.256 1059 K C 0.635 177.223 176.600 -0.020 0.000 0.999 1059 K CA 0.390 56.659 56.287 -0.030 0.000 0.908 1059 K CB 0.371 32.849 32.500 -0.037 0.000 0.981 1059 K HN 0.736 nan 8.250 nan 0.000 0.500 1060 N N -0.338 118.361 118.700 -0.002 0.000 2.458 1060 N HA 0.050 4.797 4.740 0.011 0.000 0.271 1060 N C 0.641 176.159 175.510 0.012 0.000 1.210 1060 N CA -0.408 52.644 53.050 0.004 0.000 0.978 1060 N CB 0.509 39.003 38.487 0.011 0.000 1.206 1060 N HN 0.412 nan 8.380 nan 0.000 0.536 1061 E N -0.395 119.813 120.200 0.012 0.000 2.097 1061 E HA -0.224 4.133 4.350 0.011 0.000 0.196 1061 E C 0.950 177.578 176.600 0.047 0.000 1.000 1061 E CA 1.272 57.681 56.400 0.016 0.000 0.804 1061 E CB -0.047 29.666 29.700 0.023 0.000 0.740 1061 E HN 0.583 nan 8.360 nan 0.000 0.454 1062 E N 1.027 121.254 120.200 0.045 0.000 2.058 1062 E HA -0.177 4.179 4.350 0.011 0.000 0.194 1062 E C 1.761 178.410 176.600 0.081 0.000 0.997 1062 E CA 0.978 57.411 56.400 0.056 0.000 0.801 1062 E CB -0.261 29.464 29.700 0.042 0.000 0.746 1062 E HN 0.317 nan 8.360 nan 0.000 0.450 1063 D N 0.508 120.954 120.400 0.077 0.000 2.144 1063 D HA -0.092 4.555 4.640 0.011 0.000 0.200 1063 D C 1.822 178.225 176.300 0.172 0.000 0.978 1063 D CA 1.225 55.285 54.000 0.101 0.000 0.833 1063 D CB -0.131 40.708 40.800 0.066 0.000 0.961 1063 D HN 0.132 nan 8.370 nan 0.000 0.470 1064 A N 1.549 124.472 122.820 0.172 0.000 1.855 1064 A HA -0.210 4.117 4.320 0.011 0.000 0.215 1064 A C 2.121 179.964 177.584 0.431 0.000 1.191 1064 A CA 1.979 54.208 52.037 0.320 0.000 0.613 1064 A CB -0.574 18.526 19.000 0.167 0.000 0.829 1064 A HN 0.196 nan 8.150 nan 0.000 0.442 1065 K N 0.009 120.570 120.400 0.268 0.000 2.034 1065 K HA -0.308 4.019 4.320 0.011 0.000 0.214 1065 K C 2.106 178.835 176.600 0.214 0.000 1.051 1065 K CA 2.326 58.748 56.287 0.225 0.000 0.931 1065 K CB -0.208 32.361 32.500 0.115 0.000 0.715 1065 K HN 0.293 nan 8.250 nan 0.000 0.446 1066 K N 0.104 120.611 120.400 0.178 0.000 2.032 1066 K HA -0.241 4.086 4.320 0.011 0.000 0.209 1066 K C 2.102 178.795 176.600 0.154 0.000 1.048 1066 K CA 1.956 58.326 56.287 0.138 0.000 0.927 1066 K CB -0.818 31.754 32.500 0.120 0.000 0.712 1066 K HN 0.410 nan 8.250 nan 0.000 0.441 1067 Y N -0.344 120.009 120.300 0.088 0.000 2.151 1067 Y HA -0.253 4.305 4.550 0.013 0.000 0.284 1067 Y C 1.888 177.752 175.900 -0.060 0.000 1.166 1067 Y CA 2.146 60.274 58.100 0.048 0.000 1.163 1067 Y CB -0.390 38.145 38.460 0.125 0.000 0.974 1067 Y HN 0.187 nan 8.280 nan 0.000 0.511 1068 F N 0.088 119.969 119.950 -0.115 0.000 2.084 1068 F HA -0.195 4.338 4.527 0.010 0.000 0.296 1068 F C 2.052 177.682 175.800 -0.283 0.000 1.111 1068 F CA 1.645 59.399 58.000 -0.409 0.000 1.224 1068 F CB -0.583 38.130 39.000 -0.478 0.000 0.991 1068 F HN 0.000 nan 8.300 nan 0.000 0.471 1069 L N 0.015 121.236 121.223 -0.003 0.000 2.129 1069 L HA -0.292 4.055 4.340 0.011 0.000 0.212 1069 L C 1.926 178.731 176.870 -0.109 0.000 1.087 1069 L CA 1.537 56.370 54.840 -0.012 0.000 0.757 1069 L CB -0.787 41.298 42.059 0.044 0.000 0.896 1069 L HN 0.137 nan 8.230 nan 0.000 0.434 1070 D N -0.919 119.371 120.400 -0.183 0.000 2.144 1070 D HA -0.161 4.485 4.640 0.011 0.000 0.200 1070 D C 2.379 178.480 176.300 -0.331 0.000 0.978 1070 D CA 0.754 54.630 54.000 -0.206 0.000 0.833 1070 D CB -0.119 40.562 40.800 -0.198 0.000 0.961 1070 D HN 0.243 nan 8.370 nan 0.000 0.470 1071 Q N 0.166 119.625 119.800 -0.569 0.000 2.124 1071 Q HA -0.063 4.284 4.340 0.011 0.000 0.202 1071 Q C 2.501 178.152 176.000 -0.581 0.000 0.977 1071 Q CA 0.557 55.916 55.803 -0.740 0.000 0.850 1071 Q CB -0.222 27.798 28.738 -1.196 0.000 0.901 1071 Q HN 0.432 nan 8.270 nan 0.000 0.429 1072 I N 1.023 121.408 120.570 -0.309 0.000 2.361 1072 I HA -0.245 3.931 4.170 0.011 0.000 0.251 1072 I C 2.027 178.153 176.117 0.016 0.000 1.133 1072 I CA 0.946 62.279 61.300 0.055 0.000 1.413 1072 I CB -0.085 38.066 38.000 0.251 0.000 1.073 1072 I HN 0.130 nan 8.210 nan 0.000 0.424 1073 E N 0.376 120.542 120.200 -0.056 0.000 2.072 1073 E HA -0.116 4.241 4.350 0.011 0.000 0.190 1073 E C 2.423 178.957 176.600 -0.109 0.000 0.982 1073 E CA 0.917 57.289 56.400 -0.046 0.000 0.803 1073 E CB -0.464 29.211 29.700 -0.043 0.000 0.755 1073 E HN 0.285 nan 8.360 nan 0.000 0.453 1074 V N 1.044 120.848 119.914 -0.183 0.000 2.332 1074 V HA -0.320 3.806 4.120 0.011 0.000 0.248 1074 V C 2.536 178.519 176.094 -0.185 0.000 1.055 1074 V CA 1.758 63.946 62.300 -0.188 0.000 1.038 1074 V CB -0.710 30.965 31.823 -0.246 0.000 0.651 1074 V HN 0.295 nan 8.190 nan 0.000 0.450 1075 C N -0.444 118.716 119.300 -0.232 0.000 2.425 1075 C HA -0.106 4.361 4.460 0.011 0.000 0.277 1075 C C 2.878 177.788 174.990 -0.133 0.000 1.280 1075 C CA 0.556 59.461 59.018 -0.188 0.000 1.744 1075 C CB -1.212 26.431 27.740 -0.161 0.000 1.989 1075 C HN 0.482 nan 8.230 nan 0.000 0.491 1076 R N 1.111 121.553 120.500 -0.098 0.000 2.081 1076 R HA -0.110 4.237 4.340 0.011 0.000 0.235 1076 R C 1.602 177.835 176.300 -0.111 0.000 1.131 1076 R CA 1.488 57.527 56.100 -0.102 0.000 0.960 1076 R CB -0.729 29.528 30.300 -0.071 0.000 0.856 1076 R HN 0.604 nan 8.270 nan 0.000 0.436 1077 D N 0.669 121.012 120.400 -0.096 0.000 2.117 1077 D HA -0.119 4.528 4.640 0.011 0.000 0.198 1077 D C 1.773 178.026 176.300 -0.078 0.000 0.982 1077 D CA 1.087 55.039 54.000 -0.080 0.000 0.828 1077 D CB -0.085 40.672 40.800 -0.072 0.000 0.967 1077 D HN -0.038 nan 8.370 nan 0.000 0.464 1078 K N 0.430 120.776 120.400 -0.089 0.000 2.209 1078 K HA 0.019 4.345 4.320 0.011 0.000 0.204 1078 K C 1.497 178.054 176.600 -0.072 0.000 1.048 1078 K CA 0.833 57.079 56.287 -0.068 0.000 0.940 1078 K CB -0.714 31.743 32.500 -0.072 0.000 0.729 1078 K HN 0.220 nan 8.250 nan 0.000 0.451 1079 G N 0.060 108.767 108.800 -0.155 0.000 2.692 1079 G HA2 -0.353 3.614 3.960 0.011 0.000 0.339 1079 G HA3 -0.353 3.614 3.960 0.011 0.000 0.339 1079 G C 0.893 175.610 174.900 -0.305 0.000 1.226 1079 G CA 0.751 45.688 45.100 -0.272 0.000 0.979 1079 G HN 0.496 nan 8.290 nan 0.000 0.549 1080 W N 1.401 122.715 121.300 0.024 0.000 3.278 1080 W HA 0.334 5.001 4.660 0.011 0.000 0.308 1080 W C 2.715 179.337 176.519 0.173 0.000 1.253 1080 W CA 0.433 57.837 57.345 0.099 0.000 1.759 1080 W CB 0.040 29.614 29.460 0.191 0.000 1.093 1080 W HN 0.514 nan 8.180 nan 0.000 0.648 1081 T N 1.229 115.956 114.554 0.288 0.000 2.505 1081 T HA -0.319 4.038 4.350 0.011 0.000 0.259 1081 T C 1.810 176.676 174.700 0.276 0.000 1.158 1081 T CA 2.407 64.645 62.100 0.229 0.000 1.190 1081 T CB -0.953 67.976 68.868 0.101 0.000 0.864 1081 T HN -0.087 nan 8.240 nan 0.000 0.413 1082 V N 1.680 121.703 119.914 0.182 0.000 2.287 1082 V HA -0.214 3.912 4.120 0.011 0.000 0.248 1082 V C 2.849 179.127 176.094 0.306 0.000 1.053 1082 V CA 1.707 64.089 62.300 0.138 0.000 1.027 1082 V CB -0.791 31.091 31.823 0.098 0.000 0.646 1082 V HN 0.402 nan 8.190 nan 0.000 0.447 1083 Q N -0.755 119.303 119.800 0.429 0.000 2.077 1083 Q HA -0.244 4.103 4.340 0.011 0.000 0.206 1083 Q C 2.148 178.590 176.000 0.736 0.000 0.989 1083 Q CA 2.245 58.385 55.803 0.561 0.000 0.853 1083 Q CB -0.686 28.304 28.738 0.420 0.000 0.907 1083 Q HN 0.690 nan 8.270 nan 0.000 0.418 1084 F N 1.965 122.277 119.950 0.602 0.000 2.126 1084 F HA -0.188 4.345 4.527 0.011 0.000 0.299 1084 F C 1.891 177.911 175.800 0.367 0.000 1.096 1084 F CA 1.276 59.579 58.000 0.505 0.000 1.255 1084 F CB -0.212 38.939 39.000 0.252 0.000 0.997 1084 F HN 0.101 nan 8.300 nan 0.000 0.479 1085 N N -0.343 118.570 118.700 0.354 0.000 2.289 1085 N HA -0.205 4.541 4.740 0.011 0.000 0.184 1085 N C -0.081 175.518 175.510 0.148 0.000 1.016 1085 N CA 0.624 53.744 53.050 0.117 0.000 0.872 1085 N CB -0.607 37.874 38.487 -0.011 0.000 0.973 1085 N HN 0.364 nan 8.380 nan 0.000 0.433 1086 W N 0.319 121.782 121.300 0.271 0.000 1.872 1086 W HA 0.002 4.668 4.660 0.010 0.000 0.503 1086 W C 0.125 176.515 176.519 -0.216 0.000 0.794 1086 W CA -0.346 57.028 57.345 0.048 0.000 1.972 1086 W CB -0.511 28.940 29.460 -0.015 0.000 1.730 1086 W HN 0.024 nan 8.180 nan 0.000 0.253 1087 F N -0.894 119.092 119.950 0.059 0.000 2.743 1087 F HA 0.089 4.623 4.527 0.011 0.000 0.356 1087 F C 1.609 177.431 175.800 0.036 0.000 0.845 1087 F CA -0.306 57.676 58.000 -0.030 0.000 1.058 1087 F CB -0.466 38.444 39.000 -0.150 0.000 0.952 1087 F HN -0.179 nan 8.300 nan 0.000 0.620 1088 L N 0.422 121.773 121.223 0.213 0.000 1.861 1088 L HA 0.042 4.388 4.340 0.011 0.000 0.236 1088 L C 0.828 177.873 176.870 0.293 0.000 1.072 1088 L CA 1.111 56.058 54.840 0.177 0.000 1.324 1088 L CB -0.741 41.387 42.059 0.115 0.000 1.126 1088 L HN 0.228 nan 8.230 nan 0.000 0.635 1089 H N -1.390 117.715 119.070 0.059 0.000 2.918 1089 H HA 0.462 5.024 4.556 0.011 0.000 0.303 1089 H C -1.632 173.785 175.328 0.149 0.000 1.380 1089 H CA -1.262 54.896 56.048 0.184 0.000 1.134 1089 H CB 1.247 31.075 29.762 0.110 0.000 1.842 1089 H HN 0.166 nan 8.280 nan 0.000 0.533 1090 L N 1.606 122.837 121.223 0.014 0.000 2.325 1090 L HA 0.628 4.974 4.340 0.011 0.000 0.279 1090 L C -0.267 176.413 176.870 -0.317 0.000 1.054 1090 L CA 0.000 54.838 54.840 -0.004 0.000 0.804 1090 L CB 0.870 43.101 42.059 0.286 0.000 1.200 1090 L HN 0.702 nan 8.230 nan 0.000 0.436 1091 V N 1.513 121.281 119.914 -0.244 0.000 3.680 1091 V HA 0.582 4.708 4.120 0.011 0.000 0.312 1091 V C 0.079 176.136 176.094 -0.061 0.000 1.541 1091 V CA -0.929 61.278 62.300 -0.155 0.000 0.938 1091 V CB -0.007 31.707 31.823 -0.181 0.000 1.087 1091 V HN 1.030 nan 8.190 nan 0.000 0.480 1092 L N 0.000 121.205 121.223 -0.030 0.000 2.949 1092 L HA 0.000 4.346 4.340 0.011 0.000 0.249 1092 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 1092 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502