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 3l54_1_A DATA FIRST_RESID 143 DATA SEQUENCE MXXXSQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTXX XXXXXXXXXX XXXXXXDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRQCLKNGEE IHVVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX SLWDCDRKFR VKIRGIDIPV LPRNTDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCGXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXQLLY YVNLLLIDHR FLLRRGEYVL HMWQIXXXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDX XXXXIALPKX XXXXXXXXXX DATA SEQUENCE XXAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL XXXXXDVSSQ VISQLKQKLE NLQNLNLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHILGNY XXXXXXXXXR VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDV CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLVL DATA SEQUENCE GI 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 143 M HA 0.000 nan 4.480 nan 0.000 0.227 143 M C 0.000 176.312 176.300 0.020 0.000 1.140 143 M CA 0.000 55.313 55.300 0.021 0.000 0.988 143 M CB 0.000 32.617 32.600 0.029 0.000 1.302 148 Q N 2.731 122.595 119.800 0.107 0.000 2.020 148 Q HA 0.420 4.766 4.340 0.010 0.000 0.198 148 Q C 2.237 178.283 176.000 0.077 0.000 0.974 148 Q CA 2.430 58.277 55.803 0.074 0.000 0.829 148 Q CB -0.840 27.924 28.738 0.043 0.000 0.894 148 Q HN 0.803 nan 8.270 nan 0.000 0.433 149 A N -0.803 122.070 122.820 0.087 0.000 2.178 149 A HA -0.129 4.197 4.320 0.010 0.000 0.218 149 A C 1.740 179.406 177.584 0.137 0.000 1.157 149 A CA 1.039 53.127 52.037 0.085 0.000 0.689 149 A CB -0.670 18.375 19.000 0.076 0.000 0.787 149 A HN 0.481 nan 8.150 nan 0.000 0.465 150 F N -0.091 119.860 119.950 0.002 0.000 2.188 150 F HA 0.059 4.591 4.527 0.009 0.000 0.289 150 F C 2.202 178.003 175.800 0.002 0.000 1.082 150 F CA 1.629 59.630 58.000 0.003 0.000 1.282 150 F CB -0.464 38.536 39.000 0.001 0.000 1.060 150 F HN 0.273 nan 8.300 nan 0.000 0.493 151 Q N 0.703 120.457 119.800 -0.076 0.000 2.291 151 Q HA -0.144 4.202 4.340 0.010 0.000 0.206 151 Q C 2.126 178.035 176.000 -0.151 0.000 0.976 151 Q CA 1.560 57.258 55.803 -0.175 0.000 0.875 151 Q CB -0.176 28.538 28.738 -0.041 0.000 0.927 151 Q HN 0.387 nan 8.270 nan 0.000 0.450 152 R N -0.730 119.720 120.500 -0.084 0.000 2.073 152 R HA -0.098 4.248 4.340 0.010 0.000 0.229 152 R C 2.313 178.563 176.300 -0.084 0.000 1.120 152 R CA 1.402 57.464 56.100 -0.063 0.000 0.967 152 R CB -0.240 30.048 30.300 -0.020 0.000 0.862 152 R HN 0.413 nan 8.270 nan 0.000 0.436 153 Q N 1.093 120.832 119.800 -0.100 0.000 2.020 153 Q HA -0.158 4.188 4.340 0.010 0.000 0.202 153 Q C 2.174 178.083 176.000 -0.153 0.000 0.982 153 Q CA 1.380 57.126 55.803 -0.095 0.000 0.838 153 Q CB -0.043 28.668 28.738 -0.046 0.000 0.899 153 Q HN 0.310 nan 8.270 nan 0.000 0.423 154 L N 0.135 121.176 121.223 -0.304 0.000 1.997 154 L HA -0.278 4.068 4.340 0.010 0.000 0.216 154 L C 2.601 179.388 176.870 -0.138 0.000 1.074 154 L CA 1.937 56.617 54.840 -0.267 0.000 0.763 154 L CB -1.026 40.797 42.059 -0.394 0.000 0.890 154 L HN 0.311 nan 8.230 nan 0.000 0.434 155 T N -0.182 114.295 114.554 -0.129 0.000 2.653 155 T HA -0.290 4.066 4.350 0.010 0.000 0.268 155 T C 1.905 176.573 174.700 -0.053 0.000 1.035 155 T CA 1.701 63.752 62.100 -0.082 0.000 1.154 155 T CB -0.332 68.483 68.868 -0.089 0.000 0.862 155 T HN 0.516 nan 8.240 nan 0.000 0.441 156 A N 0.617 123.406 122.820 -0.051 0.000 1.930 156 A HA 0.103 4.429 4.320 0.010 0.000 0.217 156 A C 2.318 179.897 177.584 -0.009 0.000 1.175 156 A CA 0.981 53.004 52.037 -0.023 0.000 0.627 156 A CB -0.672 18.318 19.000 -0.018 0.000 0.815 156 A HN 0.479 nan 8.150 nan 0.000 0.443 157 L N -0.680 120.535 121.223 -0.013 0.000 2.056 157 L HA -0.128 4.218 4.340 0.010 0.000 0.207 157 L C 2.391 179.256 176.870 -0.009 0.000 1.078 157 L CA 1.148 56.010 54.840 0.037 0.000 0.749 157 L CB -0.370 41.717 42.059 0.048 0.000 0.901 157 L HN 0.383 nan 8.230 nan 0.000 0.433 158 I N -0.771 119.771 120.570 -0.046 0.000 2.406 158 I HA -0.085 4.091 4.170 0.010 0.000 0.249 158 I C 1.661 177.740 176.117 -0.062 0.000 1.122 158 I CA 0.987 62.234 61.300 -0.087 0.000 1.431 158 I CB -0.393 37.593 38.000 -0.023 0.000 1.087 158 I HN 0.461 nan 8.210 nan 0.000 0.424 159 G N 0.288 109.083 108.800 -0.008 0.000 2.143 159 G HA2 -0.320 3.646 3.960 0.010 0.000 0.249 159 G HA3 -0.320 3.646 3.960 0.010 0.000 0.249 159 G C -0.076 174.900 174.900 0.126 0.000 0.981 159 G CA 0.176 45.296 45.100 0.033 0.000 0.665 159 G HN 0.406 nan 8.290 nan 0.000 0.528 160 Y N -0.342 119.932 120.300 -0.043 0.000 2.565 160 Y HA 0.505 5.061 4.550 0.010 0.000 0.330 160 Y C -1.777 174.100 175.900 -0.038 0.000 1.150 160 Y CA -1.072 57.010 58.100 -0.030 0.000 1.055 160 Y CB 1.863 40.311 38.460 -0.019 0.000 1.337 160 Y HN 0.035 nan 8.280 nan 0.000 0.457 161 D N 3.757 123.768 120.400 -0.647 0.000 2.428 161 D HA 0.219 4.865 4.640 0.010 0.000 0.221 161 D C 0.726 176.866 176.300 -0.267 0.000 1.123 161 D CA -0.088 53.691 54.000 -0.368 0.000 0.869 161 D CB 1.251 41.843 40.800 -0.347 0.000 1.032 161 D HN 0.493 nan 8.370 nan 0.000 0.506 162 V N 2.048 121.956 119.914 -0.010 0.000 3.541 162 V HA 0.014 4.140 4.120 0.010 0.000 0.272 162 V C 1.343 177.449 176.094 0.019 0.000 1.215 162 V CA 1.380 63.733 62.300 0.087 0.000 1.176 162 V CB -1.196 30.675 31.823 0.080 0.000 0.854 162 V HN 0.609 nan 8.190 nan 0.000 0.496 163 T N -4.346 110.187 114.554 -0.036 0.000 3.054 163 T HA 0.133 4.489 4.350 0.010 0.000 0.255 163 T C 0.610 175.286 174.700 -0.041 0.000 1.035 163 T CA 0.146 62.228 62.100 -0.029 0.000 0.941 163 T CB -0.106 68.742 68.868 -0.033 0.000 1.026 163 T HN 0.541 nan 8.240 nan 0.000 0.533 164 D N 2.855 123.209 120.400 -0.078 0.000 2.352 164 D HA 0.129 4.775 4.640 0.010 0.000 0.245 164 D C 0.987 177.272 176.300 -0.025 0.000 1.224 164 D CA -0.182 53.769 54.000 -0.082 0.000 0.879 164 D CB 1.548 42.242 40.800 -0.178 0.000 1.057 164 D HN 0.300 nan 8.370 nan 0.000 0.491 165 V N 2.146 122.053 119.914 -0.012 0.000 3.252 165 V HA 0.060 4.186 4.120 0.010 0.000 0.350 165 V C 1.680 177.778 176.094 0.006 0.000 1.329 165 V CA 0.330 62.635 62.300 0.007 0.000 1.258 165 V CB -0.507 31.325 31.823 0.015 0.000 1.208 165 V HN 0.465 nan 8.190 nan 0.000 0.462 166 S N 0.389 116.086 115.700 -0.005 0.000 2.428 166 S HA -0.031 4.445 4.470 0.010 0.000 0.230 166 S C 1.263 175.862 174.600 -0.002 0.000 1.014 166 S CA 1.256 59.450 58.200 -0.009 0.000 0.957 166 S CB -0.543 62.641 63.200 -0.027 0.000 0.784 166 S HN 0.647 nan 8.310 nan 0.000 0.499 167 N N 1.077 119.782 118.700 0.010 0.000 2.660 167 N HA 0.313 5.059 4.740 0.010 0.000 0.316 167 N C -0.729 174.782 175.510 0.002 0.000 1.774 167 N CA -0.298 52.756 53.050 0.007 0.000 0.946 167 N CB 1.142 39.636 38.487 0.012 0.000 1.322 167 N HN 0.401 nan 8.380 nan 0.000 0.492 168 V N -1.542 118.375 119.914 0.004 0.000 3.102 168 V HA 0.590 4.716 4.120 0.010 0.000 0.312 168 V C 0.482 176.592 176.094 0.027 0.000 1.135 168 V CA -0.701 61.569 62.300 -0.050 0.000 1.022 168 V CB 1.878 33.677 31.823 -0.040 0.000 1.056 168 V HN 0.418 nan 8.190 nan 0.000 0.436 169 H N -0.321 118.827 119.070 0.129 0.000 3.233 169 H HA 0.451 5.013 4.556 0.010 0.000 0.263 169 H C -0.574 174.872 175.328 0.195 0.000 1.168 169 H CA 0.296 56.449 56.048 0.174 0.000 1.159 169 H CB 0.919 30.843 29.762 0.269 0.000 1.593 169 H HN 0.872 nan 8.280 nan 0.000 0.580 170 D N 0.744 121.247 120.400 0.170 0.000 2.838 170 D HA -0.014 4.632 4.640 0.010 0.000 0.334 170 D C -0.301 176.080 176.300 0.135 0.000 1.315 170 D CA -0.465 53.674 54.000 0.232 0.000 0.917 170 D CB 0.492 41.518 40.800 0.377 0.000 1.435 170 D HN 0.048 nan 8.370 nan 0.000 0.517 171 D N -1.300 119.208 120.400 0.181 0.000 2.525 171 D HA 0.045 4.691 4.640 0.010 0.000 0.229 171 D C 0.823 177.121 176.300 -0.003 0.000 1.202 171 D CA -0.209 53.864 54.000 0.122 0.000 0.828 171 D CB 0.212 41.120 40.800 0.180 0.000 1.008 171 D HN 0.582 nan 8.370 nan 0.000 0.493 172 E N 0.523 120.594 120.200 -0.215 0.000 2.110 172 E HA -0.137 4.219 4.350 0.010 0.000 0.193 172 E C 1.786 178.352 176.600 -0.056 0.000 0.988 172 E CA 0.655 56.731 56.400 -0.540 0.000 0.804 172 E CB 0.086 29.589 29.700 -0.329 0.000 0.745 172 E HN 0.331 nan 8.360 nan 0.000 0.458 173 L N 0.456 121.661 121.223 -0.030 0.000 2.027 173 L HA -0.177 4.169 4.340 0.010 0.000 0.206 173 L C 2.663 179.540 176.870 0.011 0.000 1.074 173 L CA 1.395 56.196 54.840 -0.064 0.000 0.745 173 L CB -0.329 41.653 42.059 -0.128 0.000 0.898 173 L HN 0.138 nan 8.230 nan 0.000 0.433 174 E N 0.142 120.370 120.200 0.046 0.000 2.150 174 E HA -0.257 4.099 4.350 0.010 0.000 0.193 174 E C 1.953 178.616 176.600 0.105 0.000 0.985 174 E CA 1.223 57.664 56.400 0.069 0.000 0.814 174 E CB -0.274 29.475 29.700 0.082 0.000 0.752 174 E HN 0.349 nan 8.360 nan 0.000 0.466 175 F N 0.451 120.394 119.950 -0.011 0.000 2.146 175 F HA -0.145 4.388 4.527 0.010 0.000 0.298 175 F C 2.085 177.897 175.800 0.020 0.000 1.096 175 F CA 1.907 59.918 58.000 0.018 0.000 1.275 175 F CB -0.517 38.493 39.000 0.016 0.000 1.008 175 F HN -0.002 nan 8.300 nan 0.000 0.480 176 T N 0.718 115.342 114.554 0.117 0.000 2.777 176 T HA -0.144 4.212 4.350 0.010 0.000 0.266 176 T C 2.006 176.696 174.700 -0.017 0.000 1.040 176 T CA 1.379 63.510 62.100 0.050 0.000 1.141 176 T CB -0.261 68.678 68.868 0.118 0.000 0.868 176 T HN 0.251 nan 8.240 nan 0.000 0.444 177 R N 0.975 121.472 120.500 -0.006 0.000 2.096 177 R HA -0.084 4.262 4.340 0.010 0.000 0.240 177 R C 2.724 179.001 176.300 -0.038 0.000 1.139 177 R CA 1.456 57.551 56.100 -0.009 0.000 0.952 177 R CB -0.264 30.039 30.300 0.006 0.000 0.854 177 R HN 0.395 nan 8.270 nan 0.000 0.436 178 R N -0.321 120.130 120.500 -0.082 0.000 2.066 178 R HA -0.047 4.299 4.340 0.010 0.000 0.232 178 R C 2.527 178.734 176.300 -0.155 0.000 1.131 178 R CA 1.235 57.266 56.100 -0.115 0.000 0.955 178 R CB -0.584 29.627 30.300 -0.148 0.000 0.851 178 R HN 0.341 nan 8.270 nan 0.000 0.432 179 G N 1.532 110.183 108.800 -0.248 0.000 2.440 179 G HA2 -0.231 3.735 3.960 0.010 0.000 0.218 179 G HA3 -0.231 3.735 3.960 0.010 0.000 0.218 179 G C 1.370 176.222 174.900 -0.080 0.000 1.154 179 G CA 0.548 45.523 45.100 -0.208 0.000 0.767 179 G HN 0.154 nan 8.290 nan 0.000 0.552 180 L N 0.765 121.962 121.223 -0.043 0.000 2.622 180 L HA 0.010 4.356 4.340 0.010 0.000 0.233 180 L C 2.648 179.519 176.870 0.002 0.000 1.156 180 L CA -0.270 54.571 54.840 0.002 0.000 0.866 180 L CB -0.119 41.956 42.059 0.027 0.000 0.980 180 L HN 0.079 nan 8.230 nan 0.000 0.448 181 V N -0.442 119.462 119.914 -0.017 0.000 2.358 181 V HA -0.252 3.874 4.120 0.010 0.000 0.246 181 V C 2.492 178.581 176.094 -0.008 0.000 1.047 181 V CA 2.265 64.559 62.300 -0.010 0.000 1.035 181 V CB -0.522 31.290 31.823 -0.019 0.000 0.658 181 V HN 0.477 nan 8.190 nan 0.000 0.452 182 T N 0.261 114.808 114.554 -0.012 0.000 2.737 182 T HA -0.075 4.280 4.350 0.010 0.000 0.265 182 T C -0.029 174.674 174.700 0.005 0.000 1.038 182 T CA 1.748 63.845 62.100 -0.005 0.000 1.144 182 T CB -1.169 67.695 68.868 -0.006 0.000 0.866 182 T HN 0.437 nan 8.240 nan 0.000 0.434 183 P HA -0.058 nan 4.420 nan 0.000 0.215 183 P C 1.520 178.832 177.300 0.020 0.000 1.153 183 P CA 1.053 64.169 63.100 0.026 0.000 0.853 183 P CB -0.036 31.689 31.700 0.042 0.000 0.788 184 R N -0.208 120.303 120.500 0.019 0.000 2.070 184 R HA -0.087 4.259 4.340 0.010 0.000 0.233 184 R C 2.152 178.446 176.300 -0.009 0.000 1.137 184 R CA 1.952 58.059 56.100 0.012 0.000 0.945 184 R CB -0.653 29.656 30.300 0.016 0.000 0.845 184 R HN 0.100 nan 8.270 nan 0.000 0.430 185 M N 0.200 119.794 119.600 -0.010 0.000 2.117 185 M HA -0.080 4.406 4.480 0.010 0.000 0.262 185 M C 2.553 178.840 176.300 -0.022 0.000 1.065 185 M CA 1.608 56.895 55.300 -0.020 0.000 1.114 185 M CB -0.455 32.135 32.600 -0.016 0.000 1.361 185 M HN 0.328 nan 8.290 nan 0.000 0.408 186 A N 0.578 123.391 122.820 -0.011 0.000 1.892 186 A HA -0.242 4.084 4.320 0.010 0.000 0.218 186 A C 2.014 179.587 177.584 -0.018 0.000 1.188 186 A CA 2.368 54.400 52.037 -0.009 0.000 0.631 186 A CB -0.745 18.258 19.000 0.004 0.000 0.822 186 A HN 0.476 nan 8.150 nan 0.000 0.447 187 E N -0.347 119.841 120.200 -0.020 0.000 2.072 187 E HA -0.080 4.276 4.350 0.010 0.000 0.190 187 E C 1.798 178.352 176.600 -0.076 0.000 0.982 187 E CA 1.370 57.749 56.400 -0.034 0.000 0.803 187 E CB -0.374 29.314 29.700 -0.021 0.000 0.755 187 E HN 0.226 nan 8.360 nan 0.000 0.453 188 V N 0.832 120.694 119.914 -0.087 0.000 2.407 188 V HA -0.221 3.905 4.120 0.010 0.000 0.248 188 V C 2.302 178.331 176.094 -0.109 0.000 1.055 188 V CA 1.753 63.974 62.300 -0.132 0.000 1.049 188 V CB -0.820 30.938 31.823 -0.110 0.000 0.662 188 V HN 0.445 nan 8.190 nan 0.000 0.455 189 A N 0.208 122.986 122.820 -0.069 0.000 2.066 189 A HA -0.084 4.242 4.320 0.010 0.000 0.218 189 A C 2.184 179.739 177.584 -0.048 0.000 1.157 189 A CA 1.602 53.607 52.037 -0.053 0.000 0.670 189 A CB -0.307 18.673 19.000 -0.035 0.000 0.804 189 A HN 0.682 nan 8.150 nan 0.000 0.453 190 S N -0.546 115.124 115.700 -0.050 0.000 2.602 190 S HA 0.233 4.709 4.470 0.010 0.000 0.240 190 S C 0.418 174.993 174.600 -0.041 0.000 0.992 190 S CA -0.561 57.618 58.200 -0.034 0.000 0.971 190 S CB -0.247 62.943 63.200 -0.018 0.000 0.855 190 S HN 0.672 nan 8.310 nan 0.000 0.481 191 R N 0.671 121.126 120.500 -0.076 0.000 2.407 191 R HA 0.530 4.876 4.340 0.010 0.000 0.303 191 R C -1.216 175.055 176.300 -0.047 0.000 0.981 191 R CA -0.571 55.480 56.100 -0.081 0.000 0.905 191 R CB 0.416 30.594 30.300 -0.202 0.000 1.099 191 R HN 0.009 nan 8.270 nan 0.000 0.459 192 D N 3.897 124.301 120.400 0.006 0.000 2.401 192 D HA 0.090 4.736 4.640 0.010 0.000 0.254 192 D C -1.589 174.749 176.300 0.063 0.000 1.192 192 D CA -2.115 51.902 54.000 0.028 0.000 0.885 192 D CB 1.478 42.302 40.800 0.041 0.000 1.147 192 D HN 0.349 nan 8.370 nan 0.000 0.478 193 P HA -0.129 nan 4.420 nan 0.000 0.215 193 P C 0.838 178.186 177.300 0.080 0.000 1.153 193 P CA 1.470 64.612 63.100 0.071 0.000 0.853 193 P CB 0.246 31.960 31.700 0.023 0.000 0.788 194 K N -1.002 119.417 120.400 0.031 0.000 2.076 194 K HA -0.014 4.312 4.320 0.010 0.000 0.204 194 K C 2.065 178.662 176.600 -0.006 0.000 1.051 194 K CA 0.749 57.029 56.287 -0.013 0.000 0.949 194 K CB -0.723 31.755 32.500 -0.036 0.000 0.726 194 K HN 0.042 nan 8.250 nan 0.000 0.443 195 L N 0.479 121.727 121.223 0.041 0.000 2.012 195 L HA -0.217 4.129 4.340 0.010 0.000 0.210 195 L C 2.369 179.307 176.870 0.113 0.000 1.073 195 L CA 1.817 56.696 54.840 0.065 0.000 0.748 195 L CB -0.793 41.318 42.059 0.087 0.000 0.891 195 L HN 0.213 nan 8.230 nan 0.000 0.431 196 Y N 0.622 120.935 120.300 0.022 0.000 2.207 196 Y HA -0.235 4.321 4.550 0.010 0.000 0.287 196 Y C 2.427 178.366 175.900 0.066 0.000 1.156 196 Y CA 1.644 59.772 58.100 0.045 0.000 1.182 196 Y CB -0.233 38.241 38.460 0.024 0.000 0.979 196 Y HN 0.180 nan 8.280 nan 0.000 0.521 197 A N -0.489 122.327 122.820 -0.006 0.000 1.968 197 A HA -0.094 4.232 4.320 0.010 0.000 0.217 197 A C 2.165 179.707 177.584 -0.071 0.000 1.169 197 A CA 1.680 53.667 52.037 -0.082 0.000 0.638 197 A CB -0.521 18.441 19.000 -0.063 0.000 0.812 197 A HN 0.543 nan 8.150 nan 0.000 0.446 198 M N -0.589 118.916 119.600 -0.158 0.000 2.492 198 M HA 0.062 4.548 4.480 0.010 0.000 0.255 198 M C 0.116 176.142 176.300 -0.457 0.000 1.139 198 M CA 0.425 55.501 55.300 -0.373 0.000 1.096 198 M CB -0.075 32.236 32.600 -0.483 0.000 1.360 198 M HN 0.754 nan 8.290 nan 0.000 0.480 199 H N -0.960 118.118 119.070 0.013 0.000 2.496 199 H HA -0.083 4.479 4.556 0.010 0.000 0.323 199 H C -2.621 172.797 175.328 0.150 0.000 1.054 199 H CA -0.476 55.597 56.048 0.042 0.000 1.095 199 H CB -2.341 27.394 29.762 -0.045 0.000 1.595 199 H HN 0.153 nan 8.280 nan 0.000 0.388 200 P HA -0.083 nan 4.420 nan 0.000 0.263 200 P C 0.121 177.642 177.300 0.368 0.000 1.195 200 P CA 0.184 63.452 63.100 0.279 0.000 0.762 200 P CB 0.223 32.088 31.700 0.274 0.000 0.799 201 W N 7.206 128.642 121.300 0.226 0.000 2.360 201 W HA 0.382 5.048 4.660 0.010 0.000 0.344 201 W C -0.855 175.732 176.519 0.114 0.000 1.025 201 W CA -0.721 56.731 57.345 0.177 0.000 1.480 201 W CB -0.110 29.473 29.460 0.205 0.000 1.350 201 W HN 0.147 nan 8.180 nan 0.000 0.382 202 V N 2.959 123.032 119.914 0.265 0.000 3.126 202 V HA 0.903 5.029 4.120 0.010 0.000 0.314 202 V C -0.639 175.455 176.094 0.000 0.000 1.138 202 V CA -0.826 61.431 62.300 -0.072 0.000 1.034 202 V CB 1.541 33.185 31.823 -0.299 0.000 1.075 202 V HN 0.305 nan 8.190 nan 0.000 0.442 203 T N -0.237 114.264 114.554 -0.088 0.000 2.883 203 T HA 0.549 4.905 4.350 0.010 0.000 0.301 203 T C 0.080 174.747 174.700 -0.053 0.000 1.158 203 T CA 0.152 62.235 62.100 -0.028 0.000 1.007 203 T CB 2.062 70.914 68.868 -0.026 0.000 1.186 203 T HN 0.892 nan 8.240 nan 0.000 0.499 204 S N 1.516 117.207 115.700 -0.014 0.000 2.602 204 S HA 0.290 4.766 4.470 0.010 0.000 0.240 204 S C 0.208 174.803 174.600 -0.008 0.000 0.992 204 S CA -0.433 57.757 58.200 -0.017 0.000 0.971 204 S CB 0.027 63.228 63.200 0.001 0.000 0.855 204 S HN 0.515 nan 8.310 nan 0.000 0.481 205 K N 2.408 122.800 120.400 -0.013 0.000 2.126 205 K HA 0.335 4.661 4.320 0.010 0.000 0.257 205 K C -2.742 173.840 176.600 -0.029 0.000 1.007 205 K CA -1.733 54.546 56.287 -0.013 0.000 0.928 205 K CB -0.033 32.459 32.500 -0.012 0.000 1.013 205 K HN -0.014 nan 8.250 nan 0.000 0.473 206 P HA 0.006 nan 4.420 nan 0.000 0.271 206 P C -0.824 176.427 177.300 -0.082 0.000 1.218 206 P CA -0.502 62.605 63.100 0.011 0.000 0.780 206 P CB 0.397 32.135 31.700 0.063 0.000 0.901 207 L N 5.574 126.694 121.223 -0.172 0.000 2.477 207 L HA 0.233 4.579 4.340 0.010 0.000 0.272 207 L C -2.185 174.405 176.870 -0.466 0.000 1.157 207 L CA -1.543 52.990 54.840 -0.512 0.000 0.889 207 L CB -0.498 40.877 42.059 -1.140 0.000 1.158 207 L HN 0.294 nan 8.230 nan 0.000 0.473 208 P HA -0.048 nan 4.420 nan 0.000 0.266 208 P C 0.178 177.213 177.300 -0.442 0.000 1.186 208 P CA 0.211 62.960 63.100 -0.585 0.000 0.767 208 P CB 0.469 31.437 31.700 -1.220 0.000 0.820 209 E N 1.340 121.417 120.200 -0.205 0.000 2.118 209 E HA -0.235 4.121 4.350 0.010 0.000 0.195 209 E C 1.530 178.144 176.600 0.023 0.000 0.992 209 E CA 1.478 57.918 56.400 0.068 0.000 0.804 209 E CB -0.485 29.268 29.700 0.088 0.000 0.741 209 E HN 0.665 nan 8.360 nan 0.000 0.458 210 Y N -0.706 119.628 120.300 0.057 0.000 2.509 210 Y HA 0.053 4.609 4.550 0.010 0.000 0.293 210 Y C 1.753 177.645 175.900 -0.013 0.000 1.133 210 Y CA 0.367 58.473 58.100 0.010 0.000 1.283 210 Y CB -0.397 38.043 38.460 -0.033 0.000 1.001 210 Y HN -0.069 nan 8.280 nan 0.000 0.555 211 L N -1.958 119.154 121.223 -0.184 0.000 2.298 211 L HA 0.036 4.382 4.340 0.010 0.000 0.209 211 L C 2.014 178.811 176.870 -0.122 0.000 1.084 211 L CA 0.409 55.155 54.840 -0.156 0.000 0.816 211 L CB -0.496 41.375 42.059 -0.314 0.000 0.967 211 L HN 0.275 nan 8.230 nan 0.000 0.460 212 W N 1.583 122.816 121.300 -0.112 0.000 2.315 212 W HA -0.236 4.430 4.660 0.011 0.000 0.323 212 W C 2.593 179.084 176.519 -0.046 0.000 1.233 212 W CA 1.065 58.364 57.345 -0.077 0.000 1.267 212 W CB -0.073 29.338 29.460 -0.081 0.000 1.160 212 W HN -0.028 nan 8.180 nan 0.000 0.474 213 K N 0.086 120.625 120.400 0.232 0.000 2.160 213 K HA -0.205 4.121 4.320 0.010 0.000 0.206 213 K C 1.648 178.305 176.600 0.095 0.000 1.047 213 K CA 1.179 57.546 56.287 0.133 0.000 0.930 213 K CB -0.281 32.280 32.500 0.101 0.000 0.720 213 K HN -0.006 nan 8.250 nan 0.000 0.450 214 K N 0.628 121.075 120.400 0.078 0.000 2.504 214 K HA 0.031 4.357 4.320 0.010 0.000 0.195 214 K C 0.730 177.357 176.600 0.044 0.000 1.036 214 K CA 0.613 56.927 56.287 0.045 0.000 0.984 214 K CB -0.036 32.474 32.500 0.016 0.000 0.788 214 K HN 0.233 nan 8.250 nan 0.000 0.488 215 I N 1.222 121.836 120.570 0.072 0.000 2.336 215 I HA 0.161 4.337 4.170 0.010 0.000 0.292 215 I C -0.058 176.098 176.117 0.066 0.000 0.991 215 I CA -0.843 60.496 61.300 0.065 0.000 1.227 215 I CB 1.636 39.699 38.000 0.105 0.000 1.366 215 I HN -0.162 nan 8.210 nan 0.000 0.466 216 A N 5.324 128.166 122.820 0.036 0.000 2.302 216 A HA 0.533 4.859 4.320 0.010 0.000 0.295 216 A C 0.228 177.816 177.584 0.007 0.000 1.235 216 A CA -0.196 51.861 52.037 0.033 0.000 0.876 216 A CB -0.200 18.831 19.000 0.053 0.000 1.133 216 A HN 0.958 nan 8.150 nan 0.000 0.533 217 N N 1.096 119.805 118.700 0.014 0.000 2.615 217 N HA -0.249 4.497 4.740 0.010 0.000 0.167 217 N C -0.091 175.421 175.510 0.004 0.000 0.858 217 N CA 1.273 54.324 53.050 0.000 0.000 0.890 217 N CB -0.418 38.065 38.487 -0.007 0.000 0.837 217 N HN 0.743 nan 8.380 nan 0.000 0.671 218 N N 0.075 118.770 118.700 -0.008 0.000 2.843 218 N HA 0.256 5.002 4.740 0.010 0.000 0.284 218 N C -1.351 174.133 175.510 -0.043 0.000 1.274 218 N CA -0.047 53.006 53.050 0.005 0.000 1.045 218 N CB -0.378 38.112 38.487 0.005 0.000 1.370 218 N HN 0.508 nan 8.380 nan 0.000 0.525 219 C N 1.011 120.250 119.300 -0.100 0.000 2.396 219 C HA 0.674 5.140 4.460 0.010 0.000 0.321 219 C C -0.800 173.975 174.990 -0.358 0.000 1.233 219 C CA -0.868 57.992 59.018 -0.263 0.000 1.440 219 C CB -0.403 27.133 27.740 -0.339 0.000 2.110 219 C HN 0.330 nan 8.230 nan 0.000 0.473 220 I N 6.022 126.350 120.570 -0.402 0.000 2.512 220 I HA 0.377 4.553 4.170 0.010 0.000 0.287 220 I C -0.997 174.919 176.117 -0.334 0.000 1.069 220 I CA -0.207 60.896 61.300 -0.329 0.000 1.056 220 I CB 1.405 39.325 38.000 -0.132 0.000 1.229 220 I HN 0.446 nan 8.210 nan 0.000 0.429 221 F N 6.410 126.359 119.950 -0.002 0.000 2.410 221 F HA 0.513 5.046 4.527 0.010 0.000 0.348 221 F C 0.356 176.136 175.800 -0.034 0.000 1.106 221 F CA -0.395 57.598 58.000 -0.011 0.000 1.163 221 F CB 0.809 39.799 39.000 -0.015 0.000 1.129 221 F HN 0.153 nan 8.300 nan 0.000 0.516 222 I N 3.563 124.225 120.570 0.153 0.000 2.465 222 I HA 0.365 4.541 4.170 0.010 0.000 0.291 222 I C -1.090 175.040 176.117 0.022 0.000 1.014 222 I CA -1.055 60.274 61.300 0.048 0.000 1.093 222 I CB 2.060 40.078 38.000 0.031 0.000 1.267 222 I HN 0.148 nan 8.210 nan 0.000 0.431 223 V N 7.018 126.883 119.914 -0.081 0.000 2.350 223 V HA 0.429 4.555 4.120 0.010 0.000 0.276 223 V C 0.187 176.365 176.094 0.140 0.000 1.028 223 V CA -0.405 61.870 62.300 -0.041 0.000 0.860 223 V CB 1.131 32.824 31.823 -0.216 0.000 0.990 223 V HN 0.460 nan 8.190 nan 0.000 0.453 224 I N 4.742 125.375 120.570 0.106 0.000 2.437 224 I HA 0.496 4.672 4.170 0.010 0.000 0.298 224 I C -0.074 176.096 176.117 0.087 0.000 0.984 224 I CA -0.461 60.889 61.300 0.084 0.000 1.214 224 I CB 1.170 39.050 38.000 -0.201 0.000 1.365 224 I HN 0.592 nan 8.210 nan 0.000 0.469 225 H N 4.712 123.745 119.070 -0.062 0.000 2.589 225 H HA 0.553 5.115 4.556 0.010 0.000 0.351 225 H C -1.045 174.244 175.328 -0.064 0.000 1.074 225 H CA -0.996 55.036 56.048 -0.026 0.000 1.203 225 H CB 2.441 32.205 29.762 0.004 0.000 1.558 225 H HN 0.336 nan 8.280 nan 0.000 0.522 226 R N 1.857 122.379 120.500 0.036 0.000 2.531 226 R HA 0.210 4.556 4.340 0.010 0.000 0.293 226 R C 0.313 176.616 176.300 0.004 0.000 1.124 226 R CA 0.257 56.351 56.100 -0.011 0.000 0.945 226 R CB 0.955 31.209 30.300 -0.077 0.000 1.195 226 R HN 0.844 nan 8.270 nan 0.000 0.433 227 S N 2.032 117.744 115.700 0.019 0.000 4.159 227 S HA -0.315 4.161 4.470 0.010 0.000 0.538 227 S C 0.948 175.561 174.600 0.022 0.000 1.851 227 S CA 2.464 60.676 58.200 0.020 0.000 4.234 227 S CB -1.503 61.703 63.200 0.010 0.000 0.389 227 S HN 0.740 nan 8.310 nan 0.000 0.454 228 T N 1.925 116.483 114.554 0.008 0.000 2.954 228 T HA 0.284 4.640 4.350 0.010 0.000 0.252 228 T C 0.617 175.307 174.700 -0.018 0.000 0.983 228 T CA 0.814 62.916 62.100 0.003 0.000 0.941 228 T CB 0.468 69.336 68.868 -0.001 0.000 1.141 228 T HN 1.012 nan 8.240 nan 0.000 0.500 229 T N 1.109 115.647 114.554 -0.026 0.000 2.802 229 T HA 0.505 4.861 4.350 0.010 0.000 0.305 229 T C 0.005 174.650 174.700 -0.092 0.000 1.053 229 T CA -0.515 61.557 62.100 -0.047 0.000 1.058 229 T CB 1.197 70.044 68.868 -0.035 0.000 0.988 229 T HN 0.107 nan 8.240 nan 0.000 0.539 230 S N 0.874 116.505 115.700 -0.114 0.000 2.616 230 S HA 0.358 4.834 4.470 0.010 0.000 0.276 230 S C -1.781 172.753 174.600 -0.111 0.000 1.159 230 S CA -0.741 57.331 58.200 -0.212 0.000 1.000 230 S CB 0.774 63.781 63.200 -0.322 0.000 1.117 230 S HN 0.785 nan 8.310 nan 0.000 0.464 231 Q N 2.701 122.476 119.800 -0.042 0.000 2.263 231 Q HA 0.376 4.722 4.340 0.010 0.000 0.266 231 Q C -0.893 175.138 176.000 0.051 0.000 1.002 231 Q CA -0.761 55.044 55.803 0.003 0.000 0.790 231 Q CB 2.216 30.954 28.738 0.000 0.000 1.272 231 Q HN 0.630 nan 8.270 nan 0.000 0.435 232 T N 2.765 117.325 114.554 0.010 0.000 2.918 232 T HA 0.389 4.745 4.350 0.010 0.000 0.302 232 T C 0.038 174.798 174.700 0.099 0.000 1.045 232 T CA 0.214 62.335 62.100 0.034 0.000 1.114 232 T CB 0.327 69.174 68.868 -0.036 0.000 0.965 232 T HN 0.362 nan 8.240 nan 0.000 0.540 233 I N 2.198 122.867 120.570 0.164 0.000 2.548 233 I HA 0.296 4.472 4.170 0.010 0.000 0.287 233 I C 0.107 176.361 176.117 0.228 0.000 1.103 233 I CA -0.900 60.514 61.300 0.190 0.000 1.049 233 I CB 2.139 40.260 38.000 0.201 0.000 1.232 233 I HN 0.526 nan 8.210 nan 0.000 0.429 234 K N 5.162 125.713 120.400 0.252 0.000 2.380 234 K HA 0.514 4.840 4.320 0.010 0.000 0.267 234 K C -1.218 175.391 176.600 0.015 0.000 0.990 234 K CA -0.021 56.337 56.287 0.118 0.000 0.946 234 K CB 0.985 33.559 32.500 0.124 0.000 0.937 234 K HN 0.410 nan 8.250 nan 0.000 0.491 235 V N 1.708 121.569 119.914 -0.088 0.000 3.120 235 V HA 0.163 4.289 4.120 0.010 0.000 0.303 235 V C -0.950 175.108 176.094 -0.061 0.000 1.238 235 V CA -1.014 61.263 62.300 -0.039 0.000 1.008 235 V CB 2.099 33.915 31.823 -0.013 0.000 1.064 235 V HN 0.988 nan 8.190 nan 0.000 0.434 236 S N 2.763 118.455 115.700 -0.013 0.000 2.525 236 S HA 0.451 4.927 4.470 0.010 0.000 0.278 236 S C -2.043 172.573 174.600 0.027 0.000 1.234 236 S CA -1.283 56.920 58.200 0.005 0.000 1.058 236 S CB 1.526 64.740 63.200 0.023 0.000 0.983 236 S HN 0.552 nan 8.310 nan 0.000 0.495 237 P HA -0.018 nan 4.420 nan 0.000 0.229 237 P C 0.207 177.551 177.300 0.073 0.000 1.150 237 P CA 0.953 64.082 63.100 0.049 0.000 0.765 237 P CB 0.030 31.784 31.700 0.089 0.000 0.783 238 D N -1.154 119.296 120.400 0.084 0.000 2.398 238 D HA 0.015 4.661 4.640 0.010 0.000 0.210 238 D C 0.084 176.427 176.300 0.071 0.000 1.094 238 D CA 0.337 54.387 54.000 0.083 0.000 0.839 238 D CB 0.287 41.138 40.800 0.086 0.000 0.963 238 D HN 0.356 nan 8.370 nan 0.000 0.506 239 D N 0.558 121.000 120.400 0.070 0.000 2.181 239 D HA 0.137 4.783 4.640 0.010 0.000 0.248 239 D C 0.489 176.846 176.300 0.096 0.000 1.020 239 D CA -0.541 53.502 54.000 0.072 0.000 0.891 239 D CB 0.872 41.707 40.800 0.059 0.000 1.187 239 D HN -0.212 nan 8.370 nan 0.000 0.443 240 T N -1.742 112.871 114.554 0.098 0.000 2.856 240 T HA 0.223 4.579 4.350 0.010 0.000 0.306 240 T C -1.711 173.056 174.700 0.112 0.000 1.062 240 T CA -1.142 61.036 62.100 0.129 0.000 1.083 240 T CB 0.911 69.844 68.868 0.109 0.000 0.984 240 T HN 0.141 nan 8.240 nan 0.000 0.542 241 P HA 0.054 nan 4.420 nan 0.000 0.218 241 P C 1.810 179.146 177.300 0.060 0.000 1.149 241 P CA 1.045 64.173 63.100 0.047 0.000 0.817 241 P CB -0.387 31.304 31.700 -0.015 0.000 0.785 242 G N 0.052 108.896 108.800 0.073 0.000 2.432 242 G HA2 -0.215 3.751 3.960 0.010 0.000 0.219 242 G HA3 -0.215 3.751 3.960 0.010 0.000 0.219 242 G C 1.580 176.522 174.900 0.069 0.000 1.135 242 G CA 0.863 46.001 45.100 0.064 0.000 0.767 242 G HN 0.322 nan 8.290 nan 0.000 0.550 243 A N 0.818 123.681 122.820 0.072 0.000 1.872 243 A HA 0.167 4.493 4.320 0.010 0.000 0.214 243 A C 2.348 179.989 177.584 0.095 0.000 1.187 243 A CA 0.942 53.024 52.037 0.074 0.000 0.614 243 A CB -0.290 18.750 19.000 0.066 0.000 0.826 243 A HN 0.332 nan 8.150 nan 0.000 0.442 244 I N -0.056 120.569 120.570 0.092 0.000 2.264 244 I HA -0.297 3.879 4.170 0.010 0.000 0.248 244 I C 2.343 178.557 176.117 0.163 0.000 1.111 244 I CA 1.116 62.480 61.300 0.107 0.000 1.382 244 I CB -0.437 37.605 38.000 0.070 0.000 1.060 244 I HN 0.305 nan 8.210 nan 0.000 0.418 245 L N 0.070 121.387 121.223 0.157 0.000 2.012 245 L HA -0.273 4.073 4.340 0.010 0.000 0.210 245 L C 2.637 179.751 176.870 0.407 0.000 1.073 245 L CA 1.676 56.668 54.840 0.254 0.000 0.748 245 L CB -0.623 41.549 42.059 0.189 0.000 0.891 245 L HN 0.298 nan 8.230 nan 0.000 0.431 246 Q N -1.250 118.693 119.800 0.239 0.000 2.224 246 Q HA -0.154 4.192 4.340 0.010 0.000 0.203 246 Q C 2.271 178.414 176.000 0.238 0.000 0.970 246 Q CA 1.339 57.269 55.803 0.211 0.000 0.865 246 Q CB -0.062 28.731 28.738 0.091 0.000 0.922 246 Q HN 0.333 nan 8.270 nan 0.000 0.445 247 S N -0.564 115.265 115.700 0.214 0.000 2.561 247 S HA -0.035 4.441 4.470 0.010 0.000 0.225 247 S C 1.156 175.876 174.600 0.200 0.000 0.977 247 S CA 0.139 58.441 58.200 0.169 0.000 0.926 247 S CB -0.007 63.271 63.200 0.131 0.000 0.769 247 S HN 0.431 nan 8.310 nan 0.000 0.533 248 F N 0.401 120.427 119.950 0.127 0.000 2.343 248 F HA 0.276 4.809 4.527 0.010 0.000 0.286 248 F C 1.245 177.031 175.800 -0.023 0.000 1.057 248 F CA 0.605 58.622 58.000 0.028 0.000 1.365 248 F CB -0.204 38.786 39.000 -0.016 0.000 1.114 248 F HN 0.220 nan 8.300 nan 0.000 0.545 249 F N 0.864 120.894 119.950 0.133 0.000 2.146 249 F HA -0.026 4.507 4.527 0.010 0.000 0.298 249 F C 1.573 177.345 175.800 -0.046 0.000 1.096 249 F CA 1.159 59.173 58.000 0.023 0.000 1.275 249 F CB -1.188 37.874 39.000 0.103 0.000 1.008 249 F HN -0.213 nan 8.300 nan 0.000 0.480 270 F N 0.002 119.969 119.950 0.029 0.000 2.557 270 F HA 0.784 5.316 4.527 0.009 0.000 0.336 270 F C 0.235 176.045 175.800 0.017 0.000 1.058 270 F CA -1.129 56.897 58.000 0.043 0.000 0.988 270 F CB 1.814 40.876 39.000 0.104 0.000 1.275 270 F HN -0.083 nan 8.300 nan 0.000 0.488 271 V N 2.301 122.342 119.914 0.211 0.000 2.888 271 V HA 0.421 4.547 4.120 0.010 0.000 0.309 271 V C -1.090 175.073 176.094 0.116 0.000 1.114 271 V CA -0.925 61.441 62.300 0.110 0.000 0.940 271 V CB 2.309 34.141 31.823 0.016 0.000 1.021 271 V HN 0.544 nan 8.190 nan 0.000 0.426 272 L N 6.307 127.563 121.223 0.055 0.000 2.433 272 L HA 0.498 4.844 4.340 0.010 0.000 0.284 272 L C 0.492 177.357 176.870 -0.009 0.000 1.120 272 L CA 0.178 55.011 54.840 -0.011 0.000 0.879 272 L CB 0.135 42.148 42.059 -0.077 0.000 1.232 272 L HN 0.525 nan 8.230 nan 0.000 0.454 273 R N 2.587 123.064 120.500 -0.039 0.000 2.407 273 R HA 0.471 4.817 4.340 0.010 0.000 0.303 273 R C -0.638 175.489 176.300 -0.288 0.000 0.981 273 R CA -0.725 55.237 56.100 -0.230 0.000 0.905 273 R CB 1.707 31.840 30.300 -0.277 0.000 1.099 273 R HN 0.308 nan 8.270 nan 0.000 0.459 274 V N 3.995 123.655 119.914 -0.423 0.000 2.763 274 V HA -0.057 4.069 4.120 0.010 0.000 0.306 274 V C 0.392 176.269 176.094 -0.363 0.000 1.059 274 V CA -0.217 61.818 62.300 -0.441 0.000 1.138 274 V CB 0.641 31.959 31.823 -0.841 0.000 0.940 274 V HN 0.847 nan 8.190 nan 0.000 0.489 275 C N 4.649 123.794 119.300 -0.259 0.000 2.648 275 C HA 0.475 4.941 4.460 0.010 0.000 0.415 275 C C 1.513 176.372 174.990 -0.219 0.000 1.366 275 C CA 0.556 59.433 59.018 -0.236 0.000 1.756 275 C CB -0.831 26.755 27.740 -0.256 0.000 2.549 275 C HN 1.367 nan 8.230 nan 0.000 0.597 276 G N 3.734 112.413 108.800 -0.202 0.000 2.143 276 G HA2 -0.210 3.756 3.960 0.010 0.000 0.248 276 G HA3 -0.210 3.756 3.960 0.010 0.000 0.248 276 G C -0.098 174.675 174.900 -0.212 0.000 0.991 276 G CA 0.097 45.095 45.100 -0.170 0.000 0.689 276 G HN 0.808 nan 8.290 nan 0.000 0.522 277 R N -0.825 119.499 120.500 -0.293 0.000 2.707 277 R HA 0.369 4.715 4.340 0.010 0.000 0.272 277 R C -1.632 174.446 176.300 -0.370 0.000 1.011 277 R CA -0.951 54.945 56.100 -0.339 0.000 0.893 277 R CB 1.154 31.161 30.300 -0.489 0.000 1.233 277 R HN 0.084 nan 8.270 nan 0.000 0.464 278 D N 1.902 122.119 120.400 -0.306 0.000 2.558 278 D HA 0.101 4.747 4.640 0.010 0.000 0.221 278 D C -0.974 175.148 176.300 -0.297 0.000 1.143 278 D CA 0.218 54.036 54.000 -0.302 0.000 1.010 278 D CB 0.307 41.021 40.800 -0.143 0.000 1.068 278 D HN 0.300 nan 8.370 nan 0.000 0.511 279 E N 1.949 121.793 120.200 -0.593 0.000 2.291 279 E HA 0.307 4.663 4.350 0.010 0.000 0.276 279 E C -1.836 174.370 176.600 -0.657 0.000 0.896 279 E CA -0.641 55.482 56.400 -0.462 0.000 0.774 279 E CB 0.687 30.148 29.700 -0.398 0.000 1.227 279 E HN 0.209 nan 8.360 nan 0.000 0.413 280 Y N 3.163 123.328 120.300 -0.225 0.000 2.393 280 Y HA 0.443 4.999 4.550 0.010 0.000 0.341 280 Y C -0.148 175.652 175.900 -0.167 0.000 0.988 280 Y CA -0.992 56.984 58.100 -0.206 0.000 1.078 280 Y CB 1.602 39.930 38.460 -0.220 0.000 1.203 280 Y HN 0.354 nan 8.280 nan 0.000 0.453 281 L N 5.483 126.618 121.223 -0.147 0.000 2.352 281 L HA 0.504 4.850 4.340 0.010 0.000 0.272 281 L C -0.887 175.813 176.870 -0.284 0.000 1.109 281 L CA -0.434 54.055 54.840 -0.586 0.000 0.952 281 L CB -0.543 41.052 42.059 -0.773 0.000 1.314 281 L HN 0.382 nan 8.230 nan 0.000 0.427 282 V N 0.177 120.145 119.914 0.090 0.000 3.160 282 V HA 0.969 5.095 4.120 0.010 0.000 0.310 282 V C 0.398 176.688 176.094 0.327 0.000 1.181 282 V CA -0.571 61.828 62.300 0.165 0.000 1.047 282 V CB 1.665 33.529 31.823 0.067 0.000 1.068 282 V HN 0.797 nan 8.190 nan 0.000 0.441 283 G N 1.101 110.018 108.800 0.195 0.000 2.661 283 G HA2 -0.037 3.929 3.960 0.010 0.000 0.685 283 G HA3 -0.037 3.929 3.960 0.010 0.000 0.685 283 G C -0.680 174.314 174.900 0.156 0.000 1.298 283 G CA -0.544 44.649 45.100 0.156 0.000 0.855 283 G HN 0.719 nan 8.290 nan 0.000 0.560 284 E N 1.235 121.491 120.200 0.092 0.000 2.122 284 E HA 0.362 4.718 4.350 0.010 0.000 0.288 284 E C 0.792 177.422 176.600 0.050 0.000 1.260 284 E CA 0.595 57.040 56.400 0.076 0.000 1.344 284 E CB 0.102 29.832 29.700 0.049 0.000 1.337 284 E HN 0.940 nan 8.360 nan 0.000 0.484 285 T N -2.087 112.507 114.554 0.065 0.000 2.893 285 T HA 0.539 4.895 4.350 0.010 0.000 0.291 285 T C -2.889 171.858 174.700 0.079 0.000 1.028 285 T CA -2.817 59.264 62.100 -0.033 0.000 0.995 285 T CB 2.341 71.029 68.868 -0.299 0.000 1.051 285 T HN -0.203 nan 8.240 nan 0.000 0.470 286 P HA 0.136 nan 4.420 nan 0.000 0.265 286 P C 0.949 178.369 177.300 0.199 0.000 1.193 286 P CA -0.450 62.710 63.100 0.100 0.000 0.765 286 P CB 0.316 32.044 31.700 0.047 0.000 0.823 287 I N 4.345 125.067 120.570 0.253 0.000 2.399 287 I HA -0.261 3.915 4.170 0.010 0.000 0.254 287 I C 1.782 178.056 176.117 0.263 0.000 1.146 287 I CA 1.690 63.186 61.300 0.327 0.000 1.412 287 I CB -0.534 37.541 38.000 0.126 0.000 1.076 287 I HN 0.341 nan 8.210 nan 0.000 0.432 288 K N -0.846 119.610 120.400 0.092 0.000 2.486 288 K HA -0.009 4.317 4.320 0.010 0.000 0.194 288 K C 0.748 177.309 176.600 -0.065 0.000 1.033 288 K CA 0.941 57.204 56.287 -0.040 0.000 1.004 288 K CB -0.281 32.122 32.500 -0.160 0.000 0.798 288 K HN 0.225 nan 8.250 nan 0.000 0.495 289 N N 0.406 119.089 118.700 -0.028 0.000 2.273 289 N HA 0.169 4.915 4.740 0.010 0.000 0.231 289 N C -1.370 173.982 175.510 -0.263 0.000 1.134 289 N CA -0.157 52.800 53.050 -0.155 0.000 0.856 289 N CB 0.202 38.579 38.487 -0.184 0.000 1.068 289 N HN 0.069 nan 8.380 nan 0.000 0.510 290 F N 0.985 120.903 119.950 -0.053 0.000 2.410 290 F HA 0.274 4.807 4.527 0.010 0.000 0.349 290 F C 1.767 177.491 175.800 -0.127 0.000 1.117 290 F CA -0.706 57.276 58.000 -0.031 0.000 1.104 290 F CB 1.456 40.483 39.000 0.045 0.000 1.122 290 F HN -0.158 nan 8.300 nan 0.000 0.483 291 Q N 3.202 122.908 119.800 -0.157 0.000 2.197 291 Q HA -0.280 4.066 4.340 0.010 0.000 0.207 291 Q C 2.146 177.985 176.000 -0.269 0.000 0.984 291 Q CA 1.571 57.079 55.803 -0.492 0.000 0.869 291 Q CB -0.353 27.488 28.738 -1.495 0.000 0.906 291 Q HN 0.883 nan 8.270 nan 0.000 0.426 292 W N 0.758 121.943 121.300 -0.191 0.000 2.379 292 W HA -0.163 4.503 4.660 0.010 0.000 0.307 292 W C 1.724 178.199 176.519 -0.074 0.000 1.200 292 W CA 1.282 58.569 57.345 -0.097 0.000 1.297 292 W CB 0.034 29.487 29.460 -0.012 0.000 1.140 292 W HN -0.062 nan 8.180 nan 0.000 0.507 293 V N 1.835 121.761 119.914 0.020 0.000 2.407 293 V HA -0.290 3.836 4.120 0.010 0.000 0.248 293 V C 2.488 178.469 176.094 -0.189 0.000 1.055 293 V CA 2.030 64.280 62.300 -0.082 0.000 1.049 293 V CB -0.840 31.007 31.823 0.039 0.000 0.662 293 V HN 0.165 nan 8.190 nan 0.000 0.455 294 R N -0.487 119.900 120.500 -0.188 0.000 2.148 294 R HA -0.120 4.226 4.340 0.010 0.000 0.223 294 R C 2.325 178.482 176.300 -0.238 0.000 1.088 294 R CA 0.882 56.855 56.100 -0.212 0.000 0.985 294 R CB -0.266 29.910 30.300 -0.206 0.000 0.880 294 R HN 0.516 nan 8.270 nan 0.000 0.451 295 Q N 0.634 120.234 119.800 -0.333 0.000 2.083 295 Q HA -0.116 4.230 4.340 0.010 0.000 0.198 295 Q C 2.041 177.795 176.000 -0.409 0.000 0.969 295 Q CA 1.395 56.973 55.803 -0.375 0.000 0.838 295 Q CB 0.041 28.489 28.738 -0.484 0.000 0.900 295 Q HN 0.364 nan 8.270 nan 0.000 0.436 296 C N 0.561 119.543 119.300 -0.530 0.000 2.462 296 C HA -0.096 4.370 4.460 0.010 0.000 0.278 296 C C 2.840 177.706 174.990 -0.207 0.000 1.253 296 C CA 0.380 59.162 59.018 -0.393 0.000 1.713 296 C CB -1.290 26.219 27.740 -0.385 0.000 2.049 296 C HN 0.476 nan 8.230 nan 0.000 0.477 297 L N 1.053 122.168 121.223 -0.180 0.000 1.990 297 L HA -0.268 4.078 4.340 0.010 0.000 0.213 297 L C 2.722 179.541 176.870 -0.084 0.000 1.072 297 L CA 2.076 56.848 54.840 -0.114 0.000 0.755 297 L CB -0.790 41.192 42.059 -0.128 0.000 0.889 297 L HN 0.424 nan 8.230 nan 0.000 0.432 298 K N 0.178 120.523 120.400 -0.091 0.000 2.032 298 K HA -0.213 4.113 4.320 0.010 0.000 0.209 298 K C 1.791 178.356 176.600 -0.057 0.000 1.048 298 K CA 2.076 58.336 56.287 -0.046 0.000 0.927 298 K CB -0.028 32.449 32.500 -0.038 0.000 0.712 298 K HN 0.263 nan 8.250 nan 0.000 0.441 299 N N -0.567 118.080 118.700 -0.087 0.000 2.396 299 N HA -0.002 4.744 4.740 0.010 0.000 0.180 299 N C 0.798 176.280 175.510 -0.045 0.000 1.028 299 N CA 1.211 54.220 53.050 -0.069 0.000 0.893 299 N CB 0.315 38.745 38.487 -0.095 0.000 0.967 299 N HN 0.498 nan 8.380 nan 0.000 0.440 300 G N 0.391 109.163 108.800 -0.048 0.000 2.137 300 G HA2 -0.292 3.674 3.960 0.010 0.000 0.237 300 G HA3 -0.292 3.674 3.960 0.010 0.000 0.237 300 G C -0.157 174.736 174.900 -0.012 0.000 1.002 300 G CA 0.175 45.263 45.100 -0.020 0.000 0.702 300 G HN 0.463 nan 8.290 nan 0.000 0.515 301 E N 0.650 120.826 120.200 -0.041 0.000 2.283 301 E HA 0.500 4.856 4.350 0.010 0.000 0.271 301 E C 0.611 177.213 176.600 0.004 0.000 1.031 301 E CA -0.569 55.821 56.400 -0.017 0.000 0.868 301 E CB 0.523 30.186 29.700 -0.062 0.000 1.094 301 E HN 0.564 nan 8.360 nan 0.000 0.401 302 E N 3.299 123.551 120.200 0.088 0.000 2.242 302 E HA 0.300 4.656 4.350 0.010 0.000 0.275 302 E C -0.274 176.421 176.600 0.159 0.000 1.002 302 E CA -0.637 55.832 56.400 0.116 0.000 0.841 302 E CB 1.149 30.947 29.700 0.164 0.000 1.109 302 E HN 0.398 nan 8.360 nan 0.000 0.394 303 I N 3.487 124.095 120.570 0.063 0.000 2.347 303 I HA 0.091 4.267 4.170 0.010 0.000 0.294 303 I C 0.069 176.201 176.117 0.025 0.000 1.090 303 I CA -0.177 61.192 61.300 0.114 0.000 1.314 303 I CB -0.172 37.872 38.000 0.074 0.000 1.423 303 I HN 0.356 nan 8.210 nan 0.000 0.503 304 H N 6.096 125.262 119.070 0.159 0.000 2.511 304 H HA 0.504 5.066 4.556 0.011 0.000 0.328 304 H C -0.574 174.733 175.328 -0.035 0.000 1.044 304 H CA -0.505 55.582 56.048 0.066 0.000 1.212 304 H CB 2.254 32.014 29.762 -0.004 0.000 1.428 304 H HN 0.414 nan 8.280 nan 0.000 0.483 305 V N 1.422 121.357 119.914 0.034 0.000 2.823 305 V HA 0.488 4.614 4.120 0.010 0.000 0.312 305 V C -0.158 175.902 176.094 -0.057 0.000 1.072 305 V CA -0.965 61.299 62.300 -0.060 0.000 0.937 305 V CB 1.822 33.604 31.823 -0.068 0.000 1.013 305 V HN 0.408 nan 8.190 nan 0.000 0.430 306 V N 5.193 125.044 119.914 -0.105 0.000 2.539 306 V HA 0.585 4.711 4.120 0.010 0.000 0.292 306 V C -0.233 175.835 176.094 -0.042 0.000 1.045 306 V CA -0.657 61.613 62.300 -0.049 0.000 0.945 306 V CB 1.462 33.245 31.823 -0.067 0.000 0.993 306 V HN 0.995 nan 8.190 nan 0.000 0.464 307 L N 7.482 128.673 121.223 -0.053 0.000 2.255 307 L HA 0.588 4.934 4.340 0.010 0.000 0.289 307 L C -0.727 176.177 176.870 0.056 0.000 1.046 307 L CA 0.020 54.822 54.840 -0.064 0.000 0.816 307 L CB 0.526 42.424 42.059 -0.269 0.000 1.197 307 L HN 0.956 nan 8.230 nan 0.000 0.427 308 D N 1.424 121.946 120.400 0.202 0.000 2.812 308 D HA 0.322 4.968 4.640 0.010 0.000 0.318 308 D C -0.572 175.923 176.300 0.325 0.000 1.234 308 D CA -0.443 53.742 54.000 0.308 0.000 0.989 308 D CB 0.941 41.835 40.800 0.157 0.000 1.442 308 D HN 0.346 nan 8.370 nan 0.000 0.537 309 T N -2.503 112.146 114.554 0.158 0.000 2.913 309 T HA 0.569 4.925 4.350 0.010 0.000 0.297 309 T C -2.363 172.315 174.700 -0.037 0.000 1.029 309 T CA -1.166 60.906 62.100 -0.048 0.000 1.104 309 T CB 0.508 69.312 68.868 -0.107 0.000 0.964 309 T HN 0.152 nan 8.240 nan 0.000 0.532 310 P HA 0.285 nan 4.420 nan 0.000 0.268 310 P C -2.429 174.786 177.300 -0.142 0.000 1.205 310 P CA -1.155 61.848 63.100 -0.163 0.000 0.771 310 P CB -0.680 30.916 31.700 -0.173 0.000 0.858 311 P HA 0.043 nan 4.420 nan 0.000 0.267 311 P C -0.392 176.848 177.300 -0.100 0.000 1.205 311 P CA 0.159 63.192 63.100 -0.111 0.000 0.765 311 P CB 0.147 31.773 31.700 -0.124 0.000 0.828 312 D N 4.762 125.120 120.400 -0.069 0.000 2.389 312 D HA 0.019 4.665 4.640 0.010 0.000 0.263 312 D C -1.462 174.811 176.300 -0.045 0.000 1.255 312 D CA -1.776 52.189 54.000 -0.058 0.000 0.914 312 D CB 0.467 41.237 40.800 -0.049 0.000 1.116 312 D HN 0.162 nan 8.370 nan 0.000 0.502 313 P HA -0.047 nan 4.420 nan 0.000 0.228 313 P C 0.841 178.140 177.300 -0.001 0.000 1.151 313 P CA 0.659 63.755 63.100 -0.007 0.000 0.770 313 P CB 0.178 31.877 31.700 -0.002 0.000 0.786 314 A N -0.314 122.495 122.820 -0.018 0.000 2.019 314 A HA -0.150 4.176 4.320 0.010 0.000 0.219 314 A C 1.985 179.557 177.584 -0.019 0.000 1.164 314 A CA 1.191 53.216 52.037 -0.020 0.000 0.644 314 A CB -1.496 17.487 19.000 -0.029 0.000 0.805 314 A HN 0.190 nan 8.150 nan 0.000 0.449 315 L N -0.663 120.547 121.223 -0.021 0.000 2.275 315 L HA -0.092 4.254 4.340 0.010 0.000 0.215 315 L C 0.746 177.611 176.870 -0.008 0.000 1.119 315 L CA 0.806 55.630 54.840 -0.027 0.000 0.790 315 L CB -0.342 41.694 42.059 -0.040 0.000 0.919 315 L HN 0.206 nan 8.230 nan 0.000 0.443 316 D N 0.325 120.740 120.400 0.024 0.000 2.370 316 D HA 0.011 4.657 4.640 0.010 0.000 0.230 316 D C 0.478 176.811 176.300 0.055 0.000 1.143 316 D CA 0.133 54.181 54.000 0.080 0.000 0.834 316 D CB 0.073 40.994 40.800 0.202 0.000 0.944 316 D HN 0.351 nan 8.370 nan 0.000 0.504 317 E N 0.681 120.888 120.200 0.011 0.000 2.384 317 E HA 0.099 4.455 4.350 0.010 0.000 0.266 317 E C -0.546 176.041 176.600 -0.021 0.000 1.012 317 E CA -0.101 56.291 56.400 -0.013 0.000 0.901 317 E CB 0.958 30.642 29.700 -0.026 0.000 0.967 317 E HN -0.198 nan 8.360 nan 0.000 0.435 318 V N 5.493 125.384 119.914 -0.037 0.000 2.439 318 V HA 0.204 4.330 4.120 0.010 0.000 0.282 318 V C 0.492 176.541 176.094 -0.075 0.000 1.039 318 V CA -0.475 61.796 62.300 -0.048 0.000 0.913 318 V CB 1.385 33.175 31.823 -0.054 0.000 0.983 318 V HN 0.702 nan 8.190 nan 0.000 0.460 319 R N 4.363 124.796 120.500 -0.111 0.000 2.522 319 R HA 0.104 4.450 4.340 0.010 0.000 0.284 319 R C 0.065 176.276 176.300 -0.147 0.000 1.032 319 R CA -0.154 55.836 56.100 -0.185 0.000 1.049 319 R CB 0.317 30.383 30.300 -0.390 0.000 0.956 319 R HN 0.609 nan 8.270 nan 0.000 0.422 320 K N 3.500 123.823 120.400 -0.128 0.000 2.401 320 K HA -0.006 4.320 4.320 0.010 0.000 0.278 320 K C 0.183 176.728 176.600 -0.091 0.000 1.018 320 K CA -0.182 56.051 56.287 -0.091 0.000 0.981 320 K CB 0.598 33.054 32.500 -0.074 0.000 0.933 320 K HN 0.572 nan 8.250 nan 0.000 0.477 354 L N 3.757 124.880 121.223 -0.166 0.000 2.046 354 L HA 0.225 4.571 4.340 0.010 0.000 0.208 354 L C 1.453 178.378 176.870 0.093 0.000 1.077 354 L CA 1.876 56.668 54.840 -0.080 0.000 0.747 354 L CB -0.286 41.672 42.059 -0.168 0.000 0.896 354 L HN 0.858 nan 8.230 nan 0.000 0.432 355 W N -0.238 121.076 121.300 0.022 0.000 3.216 355 W HA 0.042 4.708 4.660 0.010 0.000 0.247 355 W C 1.184 177.710 176.519 0.012 0.000 1.326 355 W CA 0.022 57.375 57.345 0.013 0.000 1.564 355 W CB -0.866 28.599 29.460 0.008 0.000 1.113 355 W HN 0.301 nan 8.180 nan 0.000 0.722 356 D N -1.385 119.126 120.400 0.185 0.000 2.423 356 D HA 0.054 4.700 4.640 0.010 0.000 0.208 356 D C 0.132 176.484 176.300 0.088 0.000 1.068 356 D CA 0.434 54.504 54.000 0.116 0.000 0.860 356 D CB 0.087 40.933 40.800 0.077 0.000 0.992 356 D HN -0.171 nan 8.370 nan 0.000 0.504 357 C N 1.736 121.092 119.300 0.093 0.000 2.256 357 C HA 0.265 4.731 4.460 0.010 0.000 0.333 357 C C 1.424 176.465 174.990 0.085 0.000 1.183 357 C CA -1.055 58.009 59.018 0.077 0.000 1.692 357 C CB -0.125 27.660 27.740 0.075 0.000 2.274 357 C HN 0.166 nan 8.230 nan 0.000 0.509 358 D N 1.117 121.556 120.400 0.064 0.000 2.349 358 D HA 0.019 4.665 4.640 0.010 0.000 0.214 358 D C 1.035 177.366 176.300 0.052 0.000 1.063 358 D CA 0.045 54.079 54.000 0.057 0.000 0.847 358 D CB 0.249 41.073 40.800 0.040 0.000 0.933 358 D HN 0.543 nan 8.370 nan 0.000 0.513 359 R N 1.016 121.545 120.500 0.049 0.000 2.734 359 R HA 0.097 4.443 4.340 0.010 0.000 0.266 359 R C 0.381 176.725 176.300 0.074 0.000 1.044 359 R CA -0.107 56.017 56.100 0.040 0.000 1.128 359 R CB 0.500 30.812 30.300 0.019 0.000 1.010 359 R HN -0.012 nan 8.270 nan 0.000 0.461 360 K N 2.219 122.659 120.400 0.067 0.000 2.382 360 K HA -0.004 4.322 4.320 0.010 0.000 0.275 360 K C 0.064 176.768 176.600 0.172 0.000 1.009 360 K CA 0.043 56.403 56.287 0.123 0.000 0.970 360 K CB 0.223 32.780 32.500 0.095 0.000 0.934 360 K HN 0.362 nan 8.250 nan 0.000 0.479 361 F N 3.462 123.484 119.950 0.119 0.000 2.506 361 F HA 0.097 4.630 4.527 0.010 0.000 0.351 361 F C 0.621 176.584 175.800 0.273 0.000 1.136 361 F CA 0.043 58.129 58.000 0.144 0.000 1.298 361 F CB 0.604 39.651 39.000 0.078 0.000 1.145 361 F HN 0.537 nan 8.300 nan 0.000 0.593 362 R N 4.319 124.337 120.500 -0.804 0.000 2.739 362 R HA 0.826 5.172 4.340 0.010 0.000 0.271 362 R C -2.399 173.578 176.300 -0.539 0.000 1.010 362 R CA -1.185 54.635 56.100 -0.467 0.000 0.897 362 R CB 1.773 32.018 30.300 -0.091 0.000 1.236 362 R HN 0.638 nan 8.270 nan 0.000 0.466 363 V N 1.327 121.228 119.914 -0.023 0.000 2.733 363 V HA 0.418 4.544 4.120 0.010 0.000 0.306 363 V C -1.243 174.845 176.094 -0.009 0.000 1.084 363 V CA -0.847 61.492 62.300 0.064 0.000 0.905 363 V CB 2.094 33.987 31.823 0.118 0.000 1.010 363 V HN 0.862 nan 8.190 nan 0.000 0.424 364 K N 7.191 127.336 120.400 -0.426 0.000 2.248 364 K HA 0.472 4.798 4.320 0.010 0.000 0.281 364 K C -0.743 175.636 176.600 -0.367 0.000 1.054 364 K CA -0.675 55.151 56.287 -0.768 0.000 0.903 364 K CB 0.919 32.401 32.500 -1.696 0.000 1.077 364 K HN 0.636 nan 8.250 nan 0.000 0.474 365 I N 6.537 126.962 120.570 -0.241 0.000 2.322 365 I HA 0.110 4.286 4.170 0.010 0.000 0.292 365 I C 1.404 177.486 176.117 -0.058 0.000 1.060 365 I CA -0.023 61.203 61.300 -0.123 0.000 1.309 365 I CB 0.724 38.637 38.000 -0.145 0.000 1.415 365 I HN 0.763 nan 8.210 nan 0.000 0.492 366 R N 4.205 124.676 120.500 -0.048 0.000 2.052 366 R HA 0.245 4.591 4.340 0.010 0.000 0.226 366 R C 0.931 177.288 176.300 0.095 0.000 1.145 366 R CA 0.711 56.801 56.100 -0.017 0.000 0.952 366 R CB 0.080 30.348 30.300 -0.052 0.000 0.847 366 R HN 0.777 nan 8.270 nan 0.000 0.431 367 G N 0.488 109.360 108.800 0.120 0.000 2.356 367 G HA2 0.386 4.352 3.960 0.010 0.000 0.294 367 G HA3 0.386 4.352 3.960 0.010 0.000 0.294 367 G C -1.526 173.461 174.900 0.145 0.000 1.423 367 G CA -0.822 44.394 45.100 0.194 0.000 0.806 367 G HN 0.212 nan 8.290 nan 0.000 0.527 368 I N -1.806 118.861 120.570 0.162 0.000 2.603 368 I HA 0.832 5.008 4.170 0.010 0.000 0.300 368 I C -1.606 174.517 176.117 0.010 0.000 1.017 368 I CA -0.993 60.355 61.300 0.079 0.000 1.098 368 I CB 2.632 40.718 38.000 0.142 0.000 1.279 368 I HN 0.231 nan 8.210 nan 0.000 0.437 369 D N 6.971 127.344 120.400 -0.046 0.000 2.788 369 D HA 0.548 5.194 4.640 0.010 0.000 0.247 369 D C -0.991 175.264 176.300 -0.076 0.000 1.236 369 D CA -0.035 53.931 54.000 -0.057 0.000 0.898 369 D CB 3.117 43.882 40.800 -0.059 0.000 1.401 369 D HN 0.664 nan 8.370 nan 0.000 0.549 370 I N 2.050 122.578 120.570 -0.069 0.000 2.569 370 I HA 0.253 4.429 4.170 0.010 0.000 0.290 370 I C -1.993 174.088 176.117 -0.060 0.000 1.088 370 I CA -2.545 58.712 61.300 -0.072 0.000 1.047 370 I CB 3.002 40.944 38.000 -0.096 0.000 1.237 370 I HN -0.019 nan 8.210 nan 0.000 0.421 371 P HA -0.071 nan 4.420 nan 0.000 0.211 371 P C -0.373 176.898 177.300 -0.048 0.000 1.179 371 P CA 1.036 64.114 63.100 -0.037 0.000 0.910 371 P CB 0.115 31.802 31.700 -0.022 0.000 0.785 372 V N 0.620 120.512 119.914 -0.038 0.000 2.409 372 V HA 0.292 4.418 4.120 0.010 0.000 0.291 372 V C -0.007 176.061 176.094 -0.043 0.000 1.020 372 V CA -0.945 61.330 62.300 -0.042 0.000 0.848 372 V CB 1.156 32.967 31.823 -0.020 0.000 0.990 372 V HN -0.090 nan 8.190 nan 0.000 0.430 373 L N 4.266 125.433 121.223 -0.095 0.000 2.352 373 L HA 0.877 5.223 4.340 0.010 0.000 0.269 373 L C -2.344 174.491 176.870 -0.057 0.000 1.034 373 L CA -1.788 52.982 54.840 -0.117 0.000 0.806 373 L CB -0.571 41.257 42.059 -0.385 0.000 1.244 373 L HN 0.331 nan 8.230 nan 0.000 0.447 374 P HA 0.053 nan 4.420 nan 0.000 0.267 374 P C -0.298 177.010 177.300 0.013 0.000 1.195 374 P CA -0.104 63.025 63.100 0.047 0.000 0.773 374 P CB 0.293 32.062 31.700 0.115 0.000 0.837 375 R N 0.337 120.850 120.500 0.021 0.000 2.346 375 R HA 0.014 4.360 4.340 0.010 0.000 0.208 375 R C 0.228 176.541 176.300 0.023 0.000 1.052 375 R CA 0.399 56.507 56.100 0.012 0.000 1.116 375 R CB -1.364 28.945 30.300 0.015 0.000 1.003 375 R HN 0.160 nan 8.270 nan 0.000 0.482 376 N N 0.918 119.643 118.700 0.041 0.000 3.083 376 N HA 0.069 4.815 4.740 0.010 0.000 0.260 376 N C -1.078 174.471 175.510 0.065 0.000 1.163 376 N CA -0.179 52.907 53.050 0.061 0.000 1.060 376 N CB 0.435 38.976 38.487 0.090 0.000 1.345 376 N HN 0.105 nan 8.380 nan 0.000 0.515 377 T N 1.440 116.018 114.554 0.040 0.000 2.870 377 T HA 0.055 4.411 4.350 0.010 0.000 0.300 377 T C 0.843 175.578 174.700 0.058 0.000 0.989 377 T CA -0.102 62.021 62.100 0.039 0.000 1.139 377 T CB 0.813 69.691 68.868 0.017 0.000 0.920 377 T HN 0.541 nan 8.240 nan 0.000 0.537 378 D N 2.334 122.780 120.400 0.076 0.000 2.626 378 D HA 0.154 4.800 4.640 0.010 0.000 0.274 378 D C 0.528 176.929 176.300 0.168 0.000 1.045 378 D CA -0.181 53.871 54.000 0.088 0.000 0.925 378 D CB -0.425 40.415 40.800 0.067 0.000 1.260 378 D HN 0.518 nan 8.370 nan 0.000 0.490 379 L N -0.578 120.746 121.223 0.168 0.000 0.585 379 L HA -0.153 4.193 4.340 0.010 0.000 0.356 379 L C -0.455 176.552 176.870 0.229 0.000 0.995 379 L CA 0.422 55.388 54.840 0.209 0.000 1.223 379 L CB -0.726 41.511 42.059 0.296 0.000 0.010 379 L HN 0.297 nan 8.230 nan 0.000 0.091 380 T N 1.005 115.666 114.554 0.178 0.000 2.907 380 T HA 0.823 5.179 4.350 0.010 0.000 0.292 380 T C -0.789 173.988 174.700 0.128 0.000 1.043 380 T CA 0.035 62.243 62.100 0.179 0.000 1.003 380 T CB 1.683 70.650 68.868 0.166 0.000 1.084 380 T HN 0.820 nan 8.240 nan 0.000 0.483 381 V N 1.763 121.772 119.914 0.158 0.000 3.040 381 V HA 1.012 5.138 4.120 0.010 0.000 0.312 381 V C -1.235 175.100 176.094 0.402 0.000 1.115 381 V CA -1.229 61.126 62.300 0.092 0.000 0.998 381 V CB 1.534 33.235 31.823 -0.203 0.000 1.042 381 V HN 0.913 nan 8.190 nan 0.000 0.433 382 F N 0.277 120.327 119.950 0.166 0.000 2.626 382 F HA 0.924 5.457 4.527 0.010 0.000 0.311 382 F C -1.176 174.594 175.800 -0.050 0.000 1.088 382 F CA -1.407 56.647 58.000 0.090 0.000 0.949 382 F CB 1.595 40.616 39.000 0.035 0.000 1.322 382 F HN 0.393 nan 8.300 nan 0.000 0.461 383 V N 1.696 121.478 119.914 -0.221 0.000 2.370 383 V HA 0.334 4.460 4.120 0.010 0.000 0.279 383 V C -0.353 175.753 176.094 0.021 0.000 1.029 383 V CA -0.509 61.662 62.300 -0.215 0.000 0.870 383 V CB 1.111 32.691 31.823 -0.404 0.000 0.984 383 V HN 0.865 nan 8.190 nan 0.000 0.451 384 E N 3.739 124.017 120.200 0.129 0.000 2.197 384 E HA 0.688 5.044 4.350 0.010 0.000 0.281 384 E C -0.519 176.182 176.600 0.169 0.000 0.995 384 E CA -0.631 55.903 56.400 0.222 0.000 0.808 384 E CB 1.472 31.382 29.700 0.351 0.000 1.093 384 E HN 0.809 nan 8.360 nan 0.000 0.394 385 A N 5.313 128.247 122.820 0.190 0.000 2.311 385 A HA 0.413 4.739 4.320 0.010 0.000 0.306 385 A C -1.019 176.772 177.584 0.345 0.000 1.189 385 A CA -0.870 51.326 52.037 0.264 0.000 0.791 385 A CB 0.689 19.910 19.000 0.370 0.000 1.172 385 A HN 0.719 nan 8.150 nan 0.000 0.481 386 N N 2.138 120.963 118.700 0.208 0.000 2.372 386 N HA 0.308 5.054 4.740 0.010 0.000 0.285 386 N C -1.276 174.240 175.510 0.010 0.000 1.008 386 N CA -0.490 52.648 53.050 0.147 0.000 0.880 386 N CB 2.514 41.059 38.487 0.097 0.000 1.239 386 N HN 0.587 nan 8.380 nan 0.000 0.484 387 I N 2.061 122.583 120.570 -0.080 0.000 2.294 387 I HA 0.092 4.268 4.170 0.010 0.000 0.295 387 I C -0.134 175.930 176.117 -0.089 0.000 1.098 387 I CA 0.063 61.242 61.300 -0.202 0.000 1.277 387 I CB -0.153 37.611 38.000 -0.393 0.000 1.434 387 I HN 0.357 nan 8.210 nan 0.000 0.498 388 Q N 6.045 125.803 119.800 -0.071 0.000 2.257 388 Q HA 0.445 4.791 4.340 0.010 0.000 0.262 388 Q C -0.946 175.057 176.000 0.005 0.000 0.997 388 Q CA -0.818 54.967 55.803 -0.030 0.000 0.873 388 Q CB 1.909 30.619 28.738 -0.047 0.000 1.312 388 Q HN 0.578 nan 8.270 nan 0.000 0.450 389 H N -0.226 118.780 119.070 -0.107 0.000 3.287 389 H HA 0.187 4.749 4.556 0.010 0.000 0.330 389 H C -0.371 174.845 175.328 -0.187 0.000 1.064 389 H CA 0.592 56.548 56.048 -0.153 0.000 1.544 389 H CB 1.012 30.697 29.762 -0.129 0.000 1.918 389 H HN 0.928 nan 8.280 nan 0.000 0.477 390 G N 4.759 113.322 108.800 -0.396 0.000 2.371 390 G HA2 -0.317 3.649 3.960 0.010 0.000 0.299 390 G HA3 -0.317 3.649 3.960 0.010 0.000 0.299 390 G C 0.576 175.367 174.900 -0.183 0.000 1.014 390 G CA 1.019 45.925 45.100 -0.324 0.000 1.097 390 G HN 0.885 nan 8.290 nan 0.000 0.512 391 Q N -2.464 117.261 119.800 -0.125 0.000 2.332 391 Q HA -0.308 4.038 4.340 0.010 0.000 0.222 391 Q C 0.911 176.891 176.000 -0.033 0.000 0.758 391 Q CA 1.995 57.757 55.803 -0.068 0.000 1.355 391 Q CB -0.602 28.112 28.738 -0.041 0.000 1.705 391 Q HN 0.956 nan 8.270 nan 0.000 0.638 392 Q N 1.188 120.978 119.800 -0.016 0.000 2.294 392 Q HA 0.368 4.714 4.340 0.010 0.000 0.257 392 Q C -0.247 175.772 176.000 0.031 0.000 0.955 392 Q CA -0.323 55.497 55.803 0.029 0.000 0.936 392 Q CB 1.050 29.844 28.738 0.093 0.000 1.188 392 Q HN 0.198 nan 8.270 nan 0.000 0.420 393 V N 4.026 123.954 119.914 0.023 0.000 2.372 393 V HA 0.143 4.269 4.120 0.010 0.000 0.261 393 V C 0.851 176.964 176.094 0.033 0.000 1.055 393 V CA -0.087 62.229 62.300 0.026 0.000 0.930 393 V CB 0.225 32.065 31.823 0.030 0.000 1.031 393 V HN 0.941 nan 8.190 nan 0.000 0.479 394 L N 3.036 124.275 121.223 0.026 0.000 2.217 394 L HA 0.193 4.539 4.340 0.010 0.000 0.211 394 L C 1.057 177.955 176.870 0.046 0.000 1.107 394 L CA 1.078 55.929 54.840 0.019 0.000 0.783 394 L CB 0.044 42.095 42.059 -0.013 0.000 0.919 394 L HN 0.848 nan 8.230 nan 0.000 0.442 395 C N -1.277 118.071 119.300 0.081 0.000 3.253 395 C HA 0.403 4.869 4.460 0.010 0.000 0.342 395 C C -1.693 173.460 174.990 0.271 0.000 1.306 395 C CA -0.656 58.474 59.018 0.187 0.000 1.207 395 C CB 1.749 29.663 27.740 0.290 0.000 1.479 395 C HN 0.426 nan 8.230 nan 0.000 0.469 396 Q N 3.457 123.436 119.800 0.299 0.000 2.295 396 Q HA 0.671 5.017 4.340 0.010 0.000 0.268 396 Q C -1.572 174.504 176.000 0.127 0.000 1.010 396 Q CA -0.561 55.401 55.803 0.265 0.000 0.856 396 Q CB 1.548 30.368 28.738 0.136 0.000 1.349 396 Q HN 0.790 nan 8.270 nan 0.000 0.412 397 R N 2.654 123.198 120.500 0.073 0.000 2.686 397 R HA 0.618 4.964 4.340 0.010 0.000 0.283 397 R C -0.965 175.302 176.300 -0.056 0.000 0.978 397 R CA -0.681 55.327 56.100 -0.153 0.000 0.897 397 R CB 2.229 32.197 30.300 -0.553 0.000 1.192 397 R HN 0.714 nan 8.270 nan 0.000 0.457 398 R N -0.085 120.364 120.500 -0.085 0.000 2.803 398 R HA 0.427 4.773 4.340 0.010 0.000 0.276 398 R C 0.161 176.384 176.300 -0.129 0.000 0.978 398 R CA -0.799 55.280 56.100 -0.035 0.000 0.939 398 R CB 1.947 32.216 30.300 -0.051 0.000 1.179 398 R HN 0.732 nan 8.270 nan 0.000 0.472 399 T N -1.432 113.017 114.554 -0.174 0.000 2.788 399 T HA 0.221 4.577 4.350 0.010 0.000 0.280 399 T C 0.693 175.328 174.700 -0.109 0.000 0.984 399 T CA -0.806 61.110 62.100 -0.306 0.000 0.972 399 T CB 1.016 69.298 68.868 -0.976 0.000 1.039 399 T HN 0.601 nan 8.240 nan 0.000 0.530 400 S N 0.719 116.445 115.700 0.042 0.000 2.600 400 S HA 0.416 4.892 4.470 0.010 0.000 0.265 400 S C -2.705 172.094 174.600 0.332 0.000 1.325 400 S CA -1.189 57.095 58.200 0.140 0.000 1.002 400 S CB -0.402 62.903 63.200 0.175 0.000 0.921 400 S HN 0.641 nan 8.310 nan 0.000 0.554 401 P HA 0.481 nan 4.420 nan 0.000 0.271 401 P C -0.842 176.635 177.300 0.295 0.000 1.216 401 P CA -0.262 63.015 63.100 0.295 0.000 0.776 401 P CB 0.389 32.183 31.700 0.157 0.000 0.881 402 K N 3.410 123.988 120.400 0.298 0.000 2.501 402 K HA 0.509 4.835 4.320 0.010 0.000 0.252 402 K C -2.799 173.854 176.600 0.089 0.000 0.934 402 K CA -2.486 53.849 56.287 0.080 0.000 0.797 402 K CB 1.059 33.412 32.500 -0.245 0.000 1.270 402 K HN 0.127 nan 8.250 nan 0.000 0.431 403 P HA -0.077 nan 4.420 nan 0.000 0.262 403 P C -0.749 176.646 177.300 0.158 0.000 1.182 403 P CA -0.017 63.137 63.100 0.090 0.000 0.761 403 P CB 0.157 31.876 31.700 0.032 0.000 0.795 404 F N 5.292 125.255 119.950 0.022 0.000 2.613 404 F HA 0.119 4.652 4.527 0.010 0.000 0.341 404 F C 0.434 176.231 175.800 -0.005 0.000 1.288 404 F CA -0.383 57.632 58.000 0.024 0.000 1.103 404 F CB -1.171 37.865 39.000 0.061 0.000 1.423 404 F HN 0.149 nan 8.300 nan 0.000 0.651 405 T N 1.489 116.048 114.554 0.009 0.000 2.948 405 T HA 0.262 4.618 4.350 0.010 0.000 0.285 405 T C 1.154 175.741 174.700 -0.188 0.000 1.019 405 T CA -0.645 61.366 62.100 -0.148 0.000 1.013 405 T CB 1.375 70.189 68.868 -0.090 0.000 1.117 405 T HN 0.459 nan 8.240 nan 0.000 0.533 406 E N 0.179 120.264 120.200 -0.192 0.000 2.267 406 E HA -0.153 4.203 4.350 0.010 0.000 0.197 406 E C 0.447 176.993 176.600 -0.089 0.000 0.998 406 E CA 1.015 57.322 56.400 -0.155 0.000 0.830 406 E CB 0.152 29.776 29.700 -0.126 0.000 0.751 406 E HN 0.850 nan 8.360 nan 0.000 0.491 407 E N 0.558 120.710 120.200 -0.081 0.000 2.241 407 E HA 0.383 4.739 4.350 0.010 0.000 0.263 407 E C -1.714 174.827 176.600 -0.099 0.000 0.882 407 E CA -0.561 55.797 56.400 -0.070 0.000 0.769 407 E CB 2.145 31.803 29.700 -0.070 0.000 1.185 407 E HN -0.108 nan 8.360 nan 0.000 0.415 408 V N 6.167 126.011 119.914 -0.115 0.000 2.409 408 V HA 0.383 4.509 4.120 0.010 0.000 0.290 408 V C -0.282 175.597 176.094 -0.357 0.000 1.017 408 V CA -0.667 61.454 62.300 -0.299 0.000 0.841 408 V CB 1.280 32.878 31.823 -0.376 0.000 1.003 408 V HN 0.633 nan 8.190 nan 0.000 0.426 409 L N 4.032 125.031 121.223 -0.375 0.000 2.307 409 L HA 0.479 4.825 4.340 0.010 0.000 0.284 409 L C 0.336 177.028 176.870 -0.296 0.000 1.023 409 L CA -0.283 54.428 54.840 -0.215 0.000 0.810 409 L CB 1.998 43.984 42.059 -0.121 0.000 1.231 409 L HN 0.674 nan 8.230 nan 0.000 0.423 410 W N 0.703 121.986 121.300 -0.028 0.000 2.952 410 W HA 0.054 4.720 4.660 0.010 0.000 0.251 410 W C 1.038 177.527 176.519 -0.050 0.000 1.144 410 W CA 0.012 57.340 57.345 -0.027 0.000 1.551 410 W CB 0.188 29.634 29.460 -0.023 0.000 0.978 410 W HN 0.782 nan 8.180 nan 0.000 0.648 411 N N 0.905 119.694 118.700 0.149 0.000 2.727 411 N HA -0.178 4.568 4.740 0.010 0.000 0.249 411 N C -1.194 174.301 175.510 -0.025 0.000 1.048 411 N CA 0.614 53.669 53.050 0.009 0.000 0.714 411 N CB -1.316 37.172 38.487 0.002 0.000 0.959 411 N HN -0.214 nan 8.380 nan 0.000 0.544 412 V N 0.718 120.620 119.914 -0.020 0.000 2.555 412 V HA 0.453 4.579 4.120 0.010 0.000 0.302 412 V C 0.361 176.378 176.094 -0.129 0.000 1.038 412 V CA -0.807 61.483 62.300 -0.018 0.000 0.887 412 V CB 1.106 32.966 31.823 0.062 0.000 0.991 412 V HN 0.238 nan 8.190 nan 0.000 0.434 413 W N 4.676 125.963 121.300 -0.022 0.000 2.304 413 W HA 0.526 5.192 4.660 0.010 0.000 0.313 413 W C -0.123 176.332 176.519 -0.106 0.000 1.323 413 W CA -0.273 57.037 57.345 -0.059 0.000 1.223 413 W CB 0.634 30.060 29.460 -0.057 0.000 1.237 413 W HN 0.326 nan 8.180 nan 0.000 0.535 414 L N 3.752 125.033 121.223 0.098 0.000 2.262 414 L HA 0.311 4.657 4.340 0.010 0.000 0.288 414 L C 0.148 176.926 176.870 -0.154 0.000 1.035 414 L CA -0.602 54.166 54.840 -0.119 0.000 0.820 414 L CB 1.028 42.946 42.059 -0.235 0.000 1.204 414 L HN 0.419 nan 8.230 nan 0.000 0.424 415 E N 3.201 123.291 120.200 -0.183 0.000 2.156 415 E HA 0.417 4.773 4.350 0.010 0.000 0.279 415 E C -1.151 175.346 176.600 -0.171 0.000 0.965 415 E CA -0.649 55.690 56.400 -0.101 0.000 0.789 415 E CB 1.121 30.792 29.700 -0.049 0.000 1.098 415 E HN 0.253 nan 8.360 nan 0.000 0.397 416 F N 1.009 121.008 119.950 0.082 0.000 2.380 416 F HA 0.102 4.635 4.527 0.010 0.000 0.319 416 F C 1.900 177.756 175.800 0.093 0.000 1.113 416 F CA -0.283 57.791 58.000 0.125 0.000 1.056 416 F CB 1.363 40.513 39.000 0.251 0.000 1.289 416 F HN 0.532 nan 8.300 nan 0.000 0.515 417 S N 0.443 116.309 115.700 0.276 0.000 2.522 417 S HA 0.044 4.520 4.470 0.010 0.000 0.227 417 S C 0.505 175.193 174.600 0.147 0.000 0.986 417 S CA -0.009 58.282 58.200 0.153 0.000 0.929 417 S CB -0.497 62.766 63.200 0.105 0.000 0.769 417 S HN 0.502 nan 8.310 nan 0.000 0.529 418 I N 1.909 122.600 120.570 0.202 0.000 2.395 418 I HA 0.370 4.546 4.170 0.010 0.000 0.289 418 I C -0.501 175.708 176.117 0.152 0.000 1.023 418 I CA -0.876 60.502 61.300 0.130 0.000 1.350 418 I CB 0.827 38.869 38.000 0.069 0.000 1.409 418 I HN -0.088 nan 8.210 nan 0.000 0.507 419 K N 6.145 126.604 120.400 0.100 0.000 2.382 419 K HA 0.189 4.515 4.320 0.010 0.000 0.275 419 K C 0.874 177.544 176.600 0.118 0.000 1.009 419 K CA 0.119 56.470 56.287 0.106 0.000 0.970 419 K CB 0.743 33.284 32.500 0.070 0.000 0.934 419 K HN 0.572 nan 8.250 nan 0.000 0.479 420 I N 2.516 123.178 120.570 0.153 0.000 2.248 420 I HA -0.373 3.803 4.170 0.010 0.000 0.248 420 I C 1.976 178.169 176.117 0.126 0.000 1.107 420 I CA 1.538 62.930 61.300 0.152 0.000 1.373 420 I CB -0.197 37.908 38.000 0.175 0.000 1.055 420 I HN 0.641 nan 8.210 nan 0.000 0.418 421 K N -0.137 120.351 120.400 0.147 0.000 2.439 421 K HA -0.123 4.203 4.320 0.010 0.000 0.197 421 K C 0.842 177.580 176.600 0.230 0.000 1.041 421 K CA 1.262 57.690 56.287 0.235 0.000 0.970 421 K CB -0.052 32.582 32.500 0.224 0.000 0.773 421 K HN 0.256 nan 8.250 nan 0.000 0.479 422 D N 1.045 121.511 120.400 0.110 0.000 2.367 422 D HA 0.105 4.751 4.640 0.010 0.000 0.207 422 D C 0.346 176.666 176.300 0.032 0.000 1.034 422 D CA 0.044 54.071 54.000 0.045 0.000 0.861 422 D CB 0.201 41.001 40.800 0.000 0.000 0.943 422 D HN 0.172 nan 8.370 nan 0.000 0.515 423 L N 2.924 124.163 121.223 0.026 0.000 2.559 423 L HA 0.066 4.412 4.340 0.010 0.000 0.274 423 L C -2.104 174.788 176.870 0.038 0.000 1.205 423 L CA -0.936 53.884 54.840 -0.033 0.000 0.907 423 L CB -0.129 41.869 42.059 -0.101 0.000 1.153 423 L HN -0.216 nan 8.230 nan 0.000 0.490 424 P HA 0.174 nan 4.420 nan 0.000 0.290 424 P C -0.894 176.473 177.300 0.110 0.000 1.276 424 P CA -0.963 62.170 63.100 0.055 0.000 0.808 424 P CB 1.035 32.651 31.700 -0.140 0.000 0.966 425 K N 2.584 123.076 120.400 0.154 0.000 2.473 425 K HA 0.199 4.525 4.320 0.010 0.000 0.277 425 K C 1.238 177.956 176.600 0.197 0.000 1.052 425 K CA 1.690 58.054 56.287 0.128 0.000 1.114 425 K CB -1.198 31.350 32.500 0.081 0.000 0.869 425 K HN 0.777 nan 8.250 nan 0.000 0.481 426 G N 1.987 110.892 108.800 0.175 0.000 2.194 426 G HA2 -0.219 3.747 3.960 0.010 0.000 0.236 426 G HA3 -0.219 3.747 3.960 0.010 0.000 0.236 426 G C 0.237 175.099 174.900 -0.065 0.000 0.987 426 G CA -0.026 45.092 45.100 0.029 0.000 0.635 426 G HN 0.993 nan 8.290 nan 0.000 0.520 427 A N 0.347 123.212 122.820 0.075 0.000 2.498 427 A HA 0.635 4.961 4.320 0.010 0.000 0.239 427 A C 0.498 178.015 177.584 -0.111 0.000 1.068 427 A CA 0.426 52.476 52.037 0.022 0.000 0.766 427 A CB 0.291 19.285 19.000 -0.009 0.000 1.003 427 A HN 0.885 nan 8.150 nan 0.000 0.497 428 L N 1.821 122.968 121.223 -0.127 0.000 2.325 428 L HA 0.377 4.723 4.340 0.010 0.000 0.278 428 L C -0.351 176.432 176.870 -0.144 0.000 1.023 428 L CA -0.945 53.814 54.840 -0.136 0.000 0.811 428 L CB 1.647 43.640 42.059 -0.111 0.000 1.249 428 L HN 0.707 nan 8.230 nan 0.000 0.431 429 L N 4.365 125.506 121.223 -0.136 0.000 2.283 429 L HA 0.241 4.587 4.340 0.010 0.000 0.287 429 L C 0.069 176.921 176.870 -0.030 0.000 1.073 429 L CA 0.426 55.209 54.840 -0.096 0.000 0.822 429 L CB 0.265 42.291 42.059 -0.056 0.000 1.186 429 L HN 0.546 nan 8.230 nan 0.000 0.436 430 N N 6.272 124.971 118.700 -0.001 0.000 2.426 430 N HA 0.279 5.025 4.740 0.010 0.000 0.257 430 N C -1.476 174.083 175.510 0.082 0.000 1.002 430 N CA -0.503 52.572 53.050 0.041 0.000 0.942 430 N CB 0.713 39.217 38.487 0.029 0.000 1.112 430 N HN 0.648 nan 8.380 nan 0.000 0.499 431 L N 3.263 124.541 121.223 0.092 0.000 2.298 431 L HA 0.382 4.728 4.340 0.010 0.000 0.284 431 L C -0.292 176.634 176.870 0.093 0.000 1.013 431 L CA -0.516 54.375 54.840 0.085 0.000 0.824 431 L CB 1.679 43.768 42.059 0.051 0.000 1.221 431 L HN 0.443 nan 8.230 nan 0.000 0.418 432 Q N 4.023 123.867 119.800 0.073 0.000 2.356 432 Q HA 0.600 4.946 4.340 0.010 0.000 0.270 432 Q C -1.087 174.845 176.000 -0.113 0.000 1.058 432 Q CA -0.670 55.128 55.803 -0.009 0.000 0.802 432 Q CB 3.508 32.227 28.738 -0.033 0.000 1.303 432 Q HN 0.540 nan 8.270 nan 0.000 0.444 433 I N 2.559 123.004 120.570 -0.209 0.000 2.354 433 I HA 0.344 4.520 4.170 0.010 0.000 0.292 433 I C -1.085 174.741 176.117 -0.485 0.000 0.989 433 I CA -0.659 60.491 61.300 -0.249 0.000 1.188 433 I CB 0.675 38.621 38.000 -0.090 0.000 1.342 433 I HN 0.518 nan 8.210 nan 0.000 0.457 434 Y N 4.401 124.360 120.300 -0.570 0.000 2.393 434 Y HA 0.426 4.982 4.550 0.010 0.000 0.341 434 Y C 0.345 175.981 175.900 -0.440 0.000 0.988 434 Y CA -0.521 57.247 58.100 -0.554 0.000 1.078 434 Y CB 1.658 39.603 38.460 -0.858 0.000 1.203 434 Y HN 0.523 nan 8.280 nan 0.000 0.453 435 C N 1.054 120.292 119.300 -0.104 0.000 2.464 435 C HA 0.983 5.449 4.460 0.010 0.000 0.398 435 C C 0.852 175.895 174.990 0.089 0.000 1.451 435 C CA -0.040 58.939 59.018 -0.065 0.000 1.986 435 C CB 0.981 28.673 27.740 -0.079 0.000 2.004 435 C HN 1.079 nan 8.230 nan 0.000 0.530 460 L N 4.614 125.806 121.223 -0.050 0.000 2.319 460 L HA 0.243 4.589 4.340 0.010 0.000 0.280 460 L C -0.722 175.997 176.870 -0.252 0.000 1.099 460 L CA 0.227 54.824 54.840 -0.404 0.000 0.828 460 L CB 0.762 42.587 42.059 -0.391 0.000 1.150 460 L HN 0.842 nan 8.230 nan 0.000 0.442 461 L N 5.183 126.238 121.223 -0.281 0.000 2.653 461 L HA 0.336 4.681 4.340 0.010 0.000 0.230 461 L C -0.451 176.095 176.870 -0.541 0.000 1.055 461 L CA 0.424 55.073 54.840 -0.318 0.000 0.880 461 L CB -0.671 41.272 42.059 -0.194 0.000 1.195 461 L HN 0.538 nan 8.230 nan 0.000 0.492 462 Y N -0.673 119.569 120.300 -0.098 0.000 2.562 462 Y HA 0.523 5.079 4.550 0.010 0.000 0.345 462 Y C -0.648 175.258 175.900 0.010 0.000 1.045 462 Y CA -1.412 56.654 58.100 -0.058 0.000 1.028 462 Y CB 1.876 40.287 38.460 -0.083 0.000 1.297 462 Y HN 0.056 nan 8.280 nan 0.000 0.463 463 Y N -0.711 119.688 120.300 0.165 0.000 2.581 463 Y HA 0.850 5.406 4.550 0.010 0.000 0.337 463 Y C -2.190 173.831 175.900 0.201 0.000 1.108 463 Y CA -1.449 56.719 58.100 0.113 0.000 1.033 463 Y CB 1.329 39.825 38.460 0.061 0.000 1.318 463 Y HN 0.599 nan 8.280 nan 0.000 0.459 464 V N 2.605 122.686 119.914 0.279 0.000 3.120 464 V HA 0.556 4.682 4.120 0.010 0.000 0.303 464 V C -1.922 174.295 176.094 0.205 0.000 1.238 464 V CA -0.818 61.623 62.300 0.236 0.000 1.008 464 V CB 2.537 34.390 31.823 0.051 0.000 1.064 464 V HN 1.000 nan 8.190 nan 0.000 0.434 465 N N 3.298 122.108 118.700 0.183 0.000 2.272 465 N HA 0.700 5.446 4.740 0.010 0.000 0.305 465 N C -1.747 173.783 175.510 0.033 0.000 1.103 465 N CA -0.425 52.678 53.050 0.088 0.000 0.791 465 N CB 2.584 41.114 38.487 0.072 0.000 1.356 465 N HN 0.506 nan 8.380 nan 0.000 0.486 466 L N 1.604 122.803 121.223 -0.041 0.000 2.438 466 L HA 0.496 4.842 4.340 0.010 0.000 0.270 466 L C -1.206 175.591 176.870 -0.121 0.000 0.972 466 L CA -0.507 54.267 54.840 -0.109 0.000 0.831 466 L CB 1.536 43.448 42.059 -0.246 0.000 1.273 466 L HN 0.443 nan 8.230 nan 0.000 0.405 467 L N 5.548 126.710 121.223 -0.102 0.000 2.410 467 L HA 0.178 4.524 4.340 0.010 0.000 0.273 467 L C 1.219 178.027 176.870 -0.103 0.000 1.144 467 L CA 0.039 54.808 54.840 -0.120 0.000 0.863 467 L CB 0.777 42.765 42.059 -0.118 0.000 1.140 467 L HN 0.749 nan 8.230 nan 0.000 0.463 468 L N 3.895 125.045 121.223 -0.123 0.000 2.068 468 L HA 0.017 4.363 4.340 0.010 0.000 0.204 468 L C 0.547 177.378 176.870 -0.064 0.000 1.076 468 L CA 0.797 55.558 54.840 -0.132 0.000 0.753 468 L CB 0.044 41.948 42.059 -0.259 0.000 0.910 468 L HN 0.491 nan 8.230 nan 0.000 0.439 469 I N 0.942 121.493 120.570 -0.032 0.000 2.353 469 I HA 0.140 4.316 4.170 0.010 0.000 0.293 469 I C -0.205 175.940 176.117 0.047 0.000 0.992 469 I CA -0.705 60.590 61.300 -0.008 0.000 1.268 469 I CB 0.965 38.955 38.000 -0.016 0.000 1.387 469 I HN 0.104 nan 8.210 nan 0.000 0.478 470 D N 5.094 125.480 120.400 -0.023 0.000 2.506 470 D HA 0.083 4.729 4.640 0.010 0.000 0.272 470 D C 1.251 177.445 176.300 -0.178 0.000 1.214 470 D CA -0.096 53.900 54.000 -0.007 0.000 1.067 470 D CB 0.222 40.938 40.800 -0.140 0.000 1.117 470 D HN 0.575 nan 8.370 nan 0.000 0.578 471 H N -0.776 118.212 119.070 -0.135 0.000 2.521 471 H HA 0.077 4.639 4.556 0.010 0.000 0.286 471 H C 0.725 175.814 175.328 -0.398 0.000 1.034 471 H CA 0.570 56.400 56.048 -0.364 0.000 1.278 471 H CB -0.185 29.426 29.762 -0.253 0.000 1.386 471 H HN 0.325 nan 8.280 nan 0.000 0.567 472 R N -0.316 119.862 120.500 -0.536 0.000 2.466 472 R HA 0.109 4.455 4.340 0.010 0.000 0.279 472 R C -0.513 175.841 176.300 0.091 0.000 0.976 472 R CA -0.339 55.630 56.100 -0.219 0.000 1.081 472 R CB 0.037 30.152 30.300 -0.309 0.000 1.215 472 R HN 0.078 nan 8.270 nan 0.000 0.546 473 F N -0.125 119.699 119.950 -0.209 0.000 3.043 473 F HA -0.249 4.284 4.527 0.010 0.000 0.290 473 F C -0.379 175.343 175.800 -0.131 0.000 0.844 473 F CA 0.333 58.247 58.000 -0.145 0.000 1.184 473 F CB -1.530 37.393 39.000 -0.128 0.000 1.246 473 F HN 0.061 nan 8.300 nan 0.000 0.536 474 L N 0.702 121.904 121.223 -0.034 0.000 2.329 474 L HA 0.528 4.874 4.340 0.010 0.000 0.279 474 L C 0.148 177.006 176.870 -0.020 0.000 1.014 474 L CA -1.332 53.489 54.840 -0.030 0.000 0.814 474 L CB 1.561 43.584 42.059 -0.060 0.000 1.257 474 L HN -0.014 nan 8.230 nan 0.000 0.424 475 L N 3.571 124.798 121.223 0.006 0.000 2.513 475 L HA 0.109 4.455 4.340 0.010 0.000 0.272 475 L C 0.612 177.516 176.870 0.057 0.000 1.187 475 L CA 0.362 55.221 54.840 0.031 0.000 0.895 475 L CB 0.308 42.401 42.059 0.057 0.000 1.147 475 L HN 0.491 nan 8.230 nan 0.000 0.483 476 R N 4.783 125.318 120.500 0.058 0.000 2.585 476 R HA 0.160 4.506 4.340 0.010 0.000 0.275 476 R C -0.420 175.984 176.300 0.173 0.000 1.018 476 R CA 0.491 56.648 56.100 0.095 0.000 1.072 476 R CB 0.243 30.551 30.300 0.014 0.000 0.953 476 R HN 0.730 nan 8.270 nan 0.000 0.419 477 R N 3.136 123.772 120.500 0.228 0.000 2.564 477 R HA 0.508 4.854 4.340 0.010 0.000 0.284 477 R C -1.032 175.391 176.300 0.205 0.000 1.031 477 R CA 0.225 56.446 56.100 0.202 0.000 0.904 477 R CB 1.546 31.918 30.300 0.121 0.000 1.199 477 R HN 0.915 nan 8.270 nan 0.000 0.443 478 G N 2.463 111.362 108.800 0.166 0.000 2.409 478 G HA2 -0.142 3.824 3.960 0.010 0.000 0.421 478 G HA3 -0.142 3.824 3.960 0.010 0.000 0.421 478 G C -1.463 173.367 174.900 -0.116 0.000 1.259 478 G CA -0.844 44.249 45.100 -0.012 0.000 1.011 478 G HN 0.494 nan 8.290 nan 0.000 0.497 479 E N 0.109 120.123 120.200 -0.311 0.000 2.229 479 E HA 0.548 4.904 4.350 0.010 0.000 0.283 479 E C -1.073 175.192 176.600 -0.559 0.000 1.030 479 E CA 0.132 56.366 56.400 -0.276 0.000 0.836 479 E CB 1.134 30.726 29.700 -0.180 0.000 1.068 479 E HN 0.387 nan 8.360 nan 0.000 0.401 480 Y N 0.254 120.516 120.300 -0.063 0.000 2.425 480 Y HA 0.318 4.874 4.550 0.010 0.000 0.344 480 Y C -0.104 175.742 175.900 -0.090 0.000 0.969 480 Y CA -0.941 57.107 58.100 -0.086 0.000 1.052 480 Y CB 1.897 40.276 38.460 -0.135 0.000 1.215 480 Y HN 0.098 nan 8.280 nan 0.000 0.451 481 V N 5.519 125.459 119.914 0.043 0.000 2.304 481 V HA 0.367 4.493 4.120 0.010 0.000 0.278 481 V C -0.611 175.428 176.094 -0.090 0.000 1.018 481 V CA -0.699 61.566 62.300 -0.058 0.000 0.814 481 V CB 0.891 32.658 31.823 -0.093 0.000 1.021 481 V HN 0.572 nan 8.190 nan 0.000 0.440 482 L N 4.932 126.078 121.223 -0.128 0.000 2.280 482 L HA 0.539 4.885 4.340 0.010 0.000 0.287 482 L C 0.074 176.797 176.870 -0.246 0.000 1.023 482 L CA -0.619 54.156 54.840 -0.108 0.000 0.819 482 L CB 0.896 42.924 42.059 -0.052 0.000 1.212 482 L HN 0.565 nan 8.230 nan 0.000 0.420 483 H N 5.069 124.059 119.070 -0.133 0.000 2.819 483 H HA 0.297 4.859 4.556 0.010 0.000 0.303 483 H C -0.066 175.030 175.328 -0.387 0.000 1.058 483 H CA 0.174 56.081 56.048 -0.234 0.000 1.471 483 H CB 0.959 30.575 29.762 -0.244 0.000 1.480 483 H HN 0.509 nan 8.280 nan 0.000 0.517 484 M N 2.198 121.639 119.600 -0.265 0.000 2.494 484 M HA 0.243 4.729 4.480 0.010 0.000 0.300 484 M C -0.362 175.646 176.300 -0.488 0.000 1.189 484 M CA -0.593 54.505 55.300 -0.336 0.000 0.982 484 M CB 1.200 33.728 32.600 -0.121 0.000 1.534 484 M HN 0.412 nan 8.290 nan 0.000 0.488 485 W N 0.666 121.762 121.300 -0.340 0.000 2.438 485 W HA 0.451 5.117 4.660 0.010 0.000 0.324 485 W C 0.042 176.369 176.519 -0.320 0.000 1.119 485 W CA -0.322 56.765 57.345 -0.429 0.000 1.221 485 W CB 0.663 29.632 29.460 -0.819 0.000 1.253 485 W HN 0.498 nan 8.180 nan 0.000 0.555 486 Q N 2.610 122.444 119.800 0.056 0.000 2.230 486 Q HA 0.329 4.675 4.340 0.010 0.000 0.248 486 Q C -0.045 175.915 176.000 -0.066 0.000 0.915 486 Q CA -0.639 55.042 55.803 -0.203 0.000 0.900 486 Q CB 0.935 29.573 28.738 -0.167 0.000 1.229 486 Q HN 0.332 nan 8.270 nan 0.000 0.439 498 N N 1.925 120.640 118.700 0.025 0.000 2.483 498 N HA 0.256 5.002 4.740 0.010 0.000 0.264 498 N C 1.108 176.603 175.510 -0.025 0.000 1.197 498 N CA 0.925 53.961 53.050 -0.023 0.000 0.927 498 N CB 1.692 40.124 38.487 -0.091 0.000 1.065 498 N HN 0.366 nan 8.380 nan 0.000 0.461 499 A N 3.664 126.489 122.820 0.008 0.000 2.067 499 A HA -0.114 4.212 4.320 0.010 0.000 0.219 499 A C 1.500 179.107 177.584 0.037 0.000 1.158 499 A CA 1.002 53.064 52.037 0.043 0.000 0.661 499 A CB -0.097 18.840 19.000 -0.105 0.000 0.801 499 A HN 0.728 nan 8.150 nan 0.000 0.452 500 D N 0.430 120.782 120.400 -0.079 0.000 2.158 500 D HA -0.156 4.490 4.640 0.010 0.000 0.197 500 D C 1.663 177.887 176.300 -0.127 0.000 0.995 500 D CA 1.274 55.135 54.000 -0.233 0.000 0.846 500 D CB -0.277 40.094 40.800 -0.716 0.000 0.941 500 D HN 0.487 nan 8.370 nan 0.000 0.456 501 K N 0.032 120.283 120.400 -0.248 0.000 2.360 501 K HA -0.080 4.246 4.320 0.010 0.000 0.201 501 K C 1.887 178.363 176.600 -0.206 0.000 1.046 501 K CA 0.492 56.464 56.287 -0.525 0.000 0.940 501 K CB 0.004 32.164 32.500 -0.568 0.000 0.748 501 K HN 0.253 nan 8.250 nan 0.000 0.465 502 L N -0.081 121.116 121.223 -0.043 0.000 2.477 502 L HA 0.020 4.366 4.340 0.010 0.000 0.220 502 L C 1.329 178.215 176.870 0.027 0.000 1.106 502 L CA -0.051 54.799 54.840 0.017 0.000 0.851 502 L CB -0.100 42.013 42.059 0.090 0.000 0.994 502 L HN 0.007 nan 8.230 nan 0.000 0.462 503 T N -0.129 114.410 114.554 -0.026 0.000 2.946 503 T HA -0.039 4.317 4.350 0.010 0.000 0.311 503 T C 1.258 175.940 174.700 -0.031 0.000 1.063 503 T CA 0.510 62.489 62.100 -0.200 0.000 1.139 503 T CB 0.724 69.224 68.868 -0.614 0.000 0.994 503 T HN 0.377 nan 8.240 nan 0.000 0.547 504 S N 2.792 118.464 115.700 -0.048 0.000 2.556 504 S HA 0.440 4.916 4.470 0.010 0.000 0.216 504 S C 0.807 175.461 174.600 0.090 0.000 0.970 504 S CA -0.156 58.054 58.200 0.017 0.000 0.912 504 S CB 0.135 63.291 63.200 -0.074 0.000 0.790 504 S HN 0.908 nan 8.310 nan 0.000 0.504 505 A N 2.468 125.334 122.820 0.076 0.000 2.371 505 A HA 0.567 4.893 4.320 0.010 0.000 0.257 505 A C 0.694 178.461 177.584 0.306 0.000 1.089 505 A CA -0.159 51.961 52.037 0.137 0.000 0.794 505 A CB 0.072 19.111 19.000 0.065 0.000 1.029 505 A HN 0.561 nan 8.150 nan 0.000 0.488 506 T N 0.263 114.900 114.554 0.139 0.000 2.943 506 T HA 0.370 4.726 4.350 0.010 0.000 0.284 506 T C 0.158 174.593 174.700 -0.441 0.000 1.015 506 T CA -0.981 61.064 62.100 -0.092 0.000 1.042 506 T CB 0.718 69.572 68.868 -0.024 0.000 1.055 506 T HN 0.572 nan 8.240 nan 0.000 0.500 507 N N 2.242 120.269 118.700 -1.121 0.000 2.411 507 N HA 0.098 4.844 4.740 0.010 0.000 0.261 507 N C -1.672 173.530 175.510 -0.514 0.000 1.248 507 N CA -1.657 50.636 53.050 -1.261 0.000 0.885 507 N CB 1.095 38.901 38.487 -1.134 0.000 1.062 507 N HN 0.376 nan 8.380 nan 0.000 0.471 508 P HA -0.030 nan 4.420 nan 0.000 0.220 508 P C -0.217 176.960 177.300 -0.206 0.000 1.152 508 P CA 0.714 63.713 63.100 -0.168 0.000 0.812 508 P CB 0.156 31.836 31.700 -0.034 0.000 0.792 509 D N 0.332 120.605 120.400 -0.211 0.000 2.441 509 D HA -0.010 4.636 4.640 0.010 0.000 0.243 509 D C 0.940 177.072 176.300 -0.281 0.000 1.257 509 D CA 0.238 54.129 54.000 -0.181 0.000 1.027 509 D CB -0.152 40.583 40.800 -0.108 0.000 1.084 509 D HN -0.029 nan 8.370 nan 0.000 0.514 510 K N 1.776 121.954 120.400 -0.369 0.000 2.288 510 K HA -0.109 4.217 4.320 0.010 0.000 0.201 510 K C 1.566 177.998 176.600 -0.281 0.000 1.048 510 K CA 0.838 56.752 56.287 -0.622 0.000 0.956 510 K CB 0.279 32.425 32.500 -0.590 0.000 0.746 510 K HN 0.589 nan 8.250 nan 0.000 0.461 511 E N -0.117 119.990 120.200 -0.154 0.000 2.385 511 E HA -0.042 4.314 4.350 0.010 0.000 0.194 511 E C 1.048 177.623 176.600 -0.041 0.000 1.013 511 E CA 0.648 57.005 56.400 -0.072 0.000 0.866 511 E CB 0.185 29.852 29.700 -0.056 0.000 0.832 511 E HN 0.137 nan 8.360 nan 0.000 0.500 512 N N 0.867 119.540 118.700 -0.045 0.000 2.445 512 N HA -0.006 4.740 4.740 0.010 0.000 0.204 512 N C 0.340 175.853 175.510 0.005 0.000 1.098 512 N CA 0.721 53.764 53.050 -0.012 0.000 0.859 512 N CB 0.637 39.123 38.487 -0.002 0.000 1.249 512 N HN 0.167 nan 8.380 nan 0.000 0.462 513 S N 1.067 116.759 115.700 -0.013 0.000 2.572 513 S HA 0.221 4.697 4.470 0.010 0.000 0.279 513 S C 0.499 175.098 174.600 -0.002 0.000 1.341 513 S CA -0.619 57.584 58.200 0.005 0.000 1.043 513 S CB 0.884 64.041 63.200 -0.072 0.000 0.887 513 S HN 0.164 nan 8.310 nan 0.000 0.516 514 M N 3.114 122.641 119.600 -0.122 0.000 2.251 514 M HA 0.258 4.744 4.480 0.010 0.000 0.343 514 M C 0.066 176.234 176.300 -0.220 0.000 1.245 514 M CA 0.592 55.698 55.300 -0.323 0.000 1.061 514 M CB 0.344 32.360 32.600 -0.973 0.000 1.723 514 M HN 0.845 nan 8.290 nan 0.000 0.449 515 S N 5.672 121.243 115.700 -0.216 0.000 2.482 515 S HA 0.729 5.205 4.470 0.010 0.000 0.303 515 S C -0.956 173.524 174.600 -0.201 0.000 1.091 515 S CA -0.984 57.039 58.200 -0.295 0.000 1.057 515 S CB 0.762 63.739 63.200 -0.371 0.000 1.031 515 S HN 0.807 nan 8.310 nan 0.000 0.485 516 I N 3.499 123.958 120.570 -0.185 0.000 2.474 516 I HA 0.530 4.706 4.170 0.010 0.000 0.294 516 I C -0.744 175.325 176.117 -0.080 0.000 1.005 516 I CA -0.226 61.018 61.300 -0.094 0.000 1.113 516 I CB 2.042 40.004 38.000 -0.063 0.000 1.289 516 I HN 0.642 nan 8.210 nan 0.000 0.436 517 S N 8.095 123.771 115.700 -0.041 0.000 2.449 517 S HA 0.676 5.152 4.470 0.010 0.000 0.310 517 S C -0.513 174.074 174.600 -0.022 0.000 1.096 517 S CA -0.562 57.618 58.200 -0.033 0.000 1.095 517 S CB 1.073 64.249 63.200 -0.039 0.000 1.007 517 S HN 0.541 nan 8.310 nan 0.000 0.474 518 I N 0.560 121.130 120.570 -0.000 0.000 2.969 518 I HA 0.831 5.007 4.170 0.010 0.000 0.307 518 I C -1.768 174.355 176.117 0.010 0.000 1.149 518 I CA -1.369 59.924 61.300 -0.011 0.000 1.008 518 I CB 1.887 39.901 38.000 0.023 0.000 1.232 518 I HN 0.516 nan 8.210 nan 0.000 0.435 519 L N 3.331 124.516 121.223 -0.063 0.000 2.381 519 L HA 0.586 4.932 4.340 0.010 0.000 0.268 519 L C -1.059 175.840 176.870 0.049 0.000 0.997 519 L CA -0.248 54.578 54.840 -0.022 0.000 0.818 519 L CB 1.997 43.986 42.059 -0.116 0.000 1.310 519 L HN 0.829 nan 8.230 nan 0.000 0.416 520 L N 1.467 122.796 121.223 0.177 0.000 2.496 520 L HA 0.512 4.858 4.340 0.010 0.000 0.189 520 L C -0.014 177.039 176.870 0.305 0.000 1.308 520 L CA 0.734 55.718 54.840 0.241 0.000 0.912 520 L CB -0.093 42.126 42.059 0.266 0.000 1.148 520 L HN 0.681 nan 8.230 nan 0.000 0.537 528 A N 5.649 128.435 122.820 -0.056 0.000 2.330 528 A HA 0.838 5.164 4.320 0.010 0.000 0.327 528 A C -0.947 176.542 177.584 -0.159 0.000 1.155 528 A CA -0.549 51.446 52.037 -0.070 0.000 0.803 528 A CB 1.551 20.510 19.000 -0.069 0.000 1.208 528 A HN 0.686 nan 8.150 nan 0.000 0.477 529 L N 4.430 125.583 121.223 -0.117 0.000 2.360 529 L HA 0.513 4.859 4.340 0.010 0.000 0.276 529 L C -2.229 174.435 176.870 -0.343 0.000 1.121 529 L CA -1.060 53.619 54.840 -0.267 0.000 0.845 529 L CB 0.494 42.552 42.059 -0.001 0.000 1.143 529 L HN 0.424 nan 8.230 nan 0.000 0.452 530 P HA 0.323 nan 4.420 nan 0.000 0.277 530 P C -1.305 175.797 177.300 -0.330 0.000 1.271 530 P CA -0.562 62.204 63.100 -0.558 0.000 0.795 530 P CB 0.632 31.936 31.700 -0.659 0.000 1.101 546 E N 1.832 122.056 120.200 0.039 0.000 2.415 546 E HA 0.324 4.680 4.350 0.010 0.000 0.263 546 E C 0.267 176.883 176.600 0.028 0.000 0.995 546 E CA 0.287 56.702 56.400 0.025 0.000 0.915 546 E CB 0.187 29.893 29.700 0.010 0.000 0.951 546 E HN 0.517 nan 8.360 nan 0.000 0.449 547 M N 6.131 125.722 119.600 -0.014 0.000 2.260 547 M HA 0.071 4.557 4.480 0.010 0.000 0.348 547 M C -1.814 174.445 176.300 -0.068 0.000 1.342 547 M CA -1.238 54.004 55.300 -0.097 0.000 1.040 547 M CB 0.190 32.627 32.600 -0.271 0.000 1.810 547 M HN 0.346 nan 8.290 nan 0.000 0.453 548 P HA 0.025 nan 4.420 nan 0.000 0.268 548 P C 0.110 177.373 177.300 -0.061 0.000 1.204 548 P CA 0.104 63.188 63.100 -0.027 0.000 0.768 548 P CB 0.424 32.128 31.700 0.006 0.000 0.842 549 N N 2.832 121.506 118.700 -0.043 0.000 2.137 549 N HA -0.269 4.477 4.740 0.010 0.000 0.190 549 N C 1.562 177.039 175.510 -0.055 0.000 1.017 549 N CA 1.670 54.691 53.050 -0.049 0.000 0.859 549 N CB -0.296 38.173 38.487 -0.031 0.000 1.002 549 N HN 0.326 nan 8.380 nan 0.000 0.428 550 Q N 0.023 119.798 119.800 -0.042 0.000 2.167 550 Q HA 0.048 4.394 4.340 0.010 0.000 0.202 550 Q C 1.857 177.825 176.000 -0.053 0.000 0.970 550 Q CA 1.231 57.012 55.803 -0.037 0.000 0.855 550 Q CB -0.220 28.506 28.738 -0.019 0.000 0.911 550 Q HN 0.555 nan 8.270 nan 0.000 0.438 551 L N -0.606 120.570 121.223 -0.079 0.000 2.095 551 L HA -0.018 4.328 4.340 0.010 0.000 0.204 551 L C 2.616 179.373 176.870 -0.190 0.000 1.080 551 L CA 1.241 56.008 54.840 -0.121 0.000 0.759 551 L CB -0.460 41.501 42.059 -0.164 0.000 0.914 551 L HN 0.207 nan 8.230 nan 0.000 0.439 552 R N 0.928 121.305 120.500 -0.204 0.000 2.073 552 R HA -0.187 4.159 4.340 0.010 0.000 0.234 552 R C 2.305 178.526 176.300 -0.131 0.000 1.134 552 R CA 1.532 57.516 56.100 -0.193 0.000 0.952 552 R CB -0.020 30.189 30.300 -0.150 0.000 0.850 552 R HN 0.215 nan 8.270 nan 0.000 0.433 553 K N 0.205 120.548 120.400 -0.093 0.000 2.044 553 K HA -0.269 4.057 4.320 0.010 0.000 0.210 553 K C 2.269 178.830 176.600 -0.065 0.000 1.049 553 K CA 2.094 58.340 56.287 -0.068 0.000 0.927 553 K CB -0.165 32.306 32.500 -0.048 0.000 0.713 553 K HN 0.335 nan 8.250 nan 0.000 0.443 554 Q N 0.824 120.587 119.800 -0.062 0.000 2.050 554 Q HA -0.193 4.153 4.340 0.010 0.000 0.202 554 Q C 2.183 178.155 176.000 -0.047 0.000 0.980 554 Q CA 1.258 57.036 55.803 -0.042 0.000 0.840 554 Q CB -0.080 28.643 28.738 -0.025 0.000 0.898 554 Q HN 0.186 nan 8.270 nan 0.000 0.424 555 L N 1.228 122.405 121.223 -0.075 0.000 2.012 555 L HA -0.198 4.148 4.340 0.010 0.000 0.210 555 L C 1.860 178.672 176.870 -0.098 0.000 1.073 555 L CA 2.035 56.827 54.840 -0.080 0.000 0.748 555 L CB -0.350 41.629 42.059 -0.133 0.000 0.891 555 L HN 0.267 nan 8.230 nan 0.000 0.431 556 E N -0.826 119.302 120.200 -0.121 0.000 2.106 556 E HA -0.177 4.179 4.350 0.010 0.000 0.192 556 E C 2.171 178.728 176.600 -0.071 0.000 0.984 556 E CA 1.024 57.350 56.400 -0.123 0.000 0.806 556 E CB -0.303 29.327 29.700 -0.117 0.000 0.750 556 E HN 0.640 nan 8.360 nan 0.000 0.458 557 A N 0.943 123.732 122.820 -0.052 0.000 1.969 557 A HA -0.151 4.175 4.320 0.010 0.000 0.218 557 A C 2.125 179.696 177.584 -0.021 0.000 1.169 557 A CA 0.927 52.945 52.037 -0.032 0.000 0.635 557 A CB -0.463 18.522 19.000 -0.026 0.000 0.810 557 A HN 0.132 nan 8.150 nan 0.000 0.445 558 I N -0.254 120.304 120.570 -0.020 0.000 2.163 558 I HA -0.243 3.933 4.170 0.010 0.000 0.240 558 I C 2.176 178.295 176.117 0.003 0.000 1.081 558 I CA 1.378 62.676 61.300 -0.003 0.000 1.353 558 I CB -0.310 37.694 38.000 0.006 0.000 1.054 558 I HN 0.274 nan 8.210 nan 0.000 0.407 559 I N 0.826 121.389 120.570 -0.013 0.000 2.423 559 I HA -0.263 3.913 4.170 0.010 0.000 0.254 559 I C 2.497 178.621 176.117 0.012 0.000 1.151 559 I CA 1.153 62.455 61.300 0.003 0.000 1.421 559 I CB -0.437 37.538 38.000 -0.041 0.000 1.079 559 I HN 0.205 nan 8.210 nan 0.000 0.431 560 A N 0.293 123.109 122.820 -0.005 0.000 2.123 560 A HA 0.010 4.336 4.320 0.010 0.000 0.214 560 A C 1.424 179.009 177.584 0.002 0.000 1.152 560 A CA 0.716 52.751 52.037 -0.003 0.000 0.728 560 A CB -0.740 18.251 19.000 -0.014 0.000 0.814 560 A HN 0.465 nan 8.150 nan 0.000 0.464 561 T N 0.134 114.691 114.554 0.005 0.000 2.802 561 T HA 0.302 4.658 4.350 0.010 0.000 0.305 561 T C 0.115 174.822 174.700 0.011 0.000 1.053 561 T CA -0.173 61.930 62.100 0.004 0.000 1.058 561 T CB 0.416 69.287 68.868 0.006 0.000 0.988 561 T HN 0.478 nan 8.240 nan 0.000 0.539 562 D N 0.930 121.332 120.400 0.003 0.000 2.357 562 D HA 0.099 4.745 4.640 0.010 0.000 0.242 562 D C -1.954 174.358 176.300 0.021 0.000 1.153 562 D CA -1.764 52.239 54.000 0.005 0.000 0.918 562 D CB 0.626 41.419 40.800 -0.012 0.000 1.181 562 D HN 0.201 nan 8.370 nan 0.000 0.435 563 P HA -0.030 nan 4.420 nan 0.000 0.221 563 P C 1.250 178.567 177.300 0.028 0.000 1.145 563 P CA 0.863 63.992 63.100 0.048 0.000 0.795 563 P CB 0.143 31.874 31.700 0.052 0.000 0.775 564 L N -2.064 119.163 121.223 0.007 0.000 2.607 564 L HA 0.117 4.463 4.340 0.010 0.000 0.228 564 L C 1.057 177.920 176.870 -0.013 0.000 1.123 564 L CA -0.174 54.657 54.840 -0.015 0.000 0.890 564 L CB -0.437 41.608 42.059 -0.024 0.000 1.103 564 L HN 0.009 nan 8.230 nan 0.000 0.468 565 N N 1.861 120.560 118.700 -0.001 0.000 2.468 565 N HA 0.089 4.835 4.740 0.010 0.000 0.265 565 N C -2.301 173.214 175.510 0.008 0.000 1.199 565 N CA -1.251 51.799 53.050 0.001 0.000 0.928 565 N CB 1.018 39.507 38.487 0.004 0.000 1.059 565 N HN -0.112 nan 8.380 nan 0.000 0.467 566 P HA 0.150 nan 4.420 nan 0.000 0.275 566 P C -0.699 176.610 177.300 0.016 0.000 1.227 566 P CA -0.050 63.056 63.100 0.011 0.000 0.781 566 P CB 0.835 32.541 31.700 0.011 0.000 0.906 567 L N 2.359 123.595 121.223 0.021 0.000 2.276 567 L HA 0.339 4.685 4.340 0.010 0.000 0.286 567 L C 1.279 178.160 176.870 0.018 0.000 1.061 567 L CA -0.521 54.333 54.840 0.024 0.000 0.807 567 L CB 0.895 42.973 42.059 0.032 0.000 1.177 567 L HN 0.441 nan 8.230 nan 0.000 0.429 568 T N -0.347 114.217 114.554 0.016 0.000 2.788 568 T HA 0.316 4.672 4.350 0.010 0.000 0.287 568 T C 1.305 176.012 174.700 0.011 0.000 1.007 568 T CA -0.103 62.005 62.100 0.012 0.000 1.005 568 T CB 1.470 70.345 68.868 0.011 0.000 1.012 568 T HN 0.623 nan 8.240 nan 0.000 0.530 569 A N 0.387 123.210 122.820 0.005 0.000 1.940 569 A HA -0.108 4.218 4.320 0.010 0.000 0.219 569 A C 2.288 179.876 177.584 0.005 0.000 1.176 569 A CA 1.818 53.855 52.037 -0.001 0.000 0.631 569 A CB -1.051 17.944 19.000 -0.008 0.000 0.814 569 A HN 0.979 nan 8.150 nan 0.000 0.446 570 E N -0.310 119.896 120.200 0.009 0.000 2.077 570 E HA -0.182 4.174 4.350 0.010 0.000 0.193 570 E C 1.462 178.081 176.600 0.032 0.000 0.989 570 E CA 1.133 57.542 56.400 0.016 0.000 0.800 570 E CB -0.196 29.512 29.700 0.013 0.000 0.746 570 E HN 0.557 nan 8.360 nan 0.000 0.452 571 D N 0.823 121.242 120.400 0.031 0.000 2.117 571 D HA -0.136 4.510 4.640 0.010 0.000 0.197 571 D C 1.739 178.073 176.300 0.057 0.000 0.987 571 D CA 1.142 55.167 54.000 0.042 0.000 0.829 571 D CB -0.108 40.712 40.800 0.033 0.000 0.961 571 D HN 0.104 nan 8.370 nan 0.000 0.460 572 K N 0.590 121.017 120.400 0.045 0.000 2.097 572 K HA -0.094 4.232 4.320 0.010 0.000 0.205 572 K C 2.109 178.760 176.600 0.085 0.000 1.050 572 K CA 0.853 57.169 56.287 0.049 0.000 0.938 572 K CB -0.020 32.486 32.500 0.011 0.000 0.718 572 K HN 0.224 nan 8.250 nan 0.000 0.442 573 E N 0.784 121.025 120.200 0.069 0.000 2.072 573 E HA -0.185 4.171 4.350 0.010 0.000 0.191 573 E C 1.991 178.676 176.600 0.142 0.000 0.985 573 E CA 0.698 57.156 56.400 0.096 0.000 0.801 573 E CB -0.042 29.680 29.700 0.037 0.000 0.750 573 E HN 0.082 nan 8.360 nan 0.000 0.452 574 L N 1.082 122.385 121.223 0.133 0.000 1.994 574 L HA -0.194 4.152 4.340 0.010 0.000 0.208 574 L C 2.127 179.152 176.870 0.258 0.000 1.071 574 L CA 1.530 56.502 54.840 0.221 0.000 0.745 574 L CB -0.438 41.732 42.059 0.186 0.000 0.892 574 L HN 0.134 nan 8.230 nan 0.000 0.431 575 L N -1.718 119.606 121.223 0.168 0.000 1.990 575 L HA -0.328 4.018 4.340 0.010 0.000 0.213 575 L C 2.491 179.420 176.870 0.098 0.000 1.072 575 L CA 2.177 57.089 54.840 0.120 0.000 0.755 575 L CB -0.807 41.300 42.059 0.080 0.000 0.889 575 L HN 0.588 nan 8.230 nan 0.000 0.432 576 W N 0.254 121.514 121.300 -0.066 0.000 2.379 576 W HA -0.236 4.430 4.660 0.010 0.000 0.307 576 W C 2.634 179.079 176.519 -0.122 0.000 1.200 576 W CA 1.821 59.086 57.345 -0.133 0.000 1.297 576 W CB -0.520 28.858 29.460 -0.137 0.000 1.140 576 W HN 0.335 nan 8.180 nan 0.000 0.507 577 H N -0.602 118.362 119.070 -0.176 0.000 2.353 577 H HA -0.219 4.343 4.556 0.010 0.000 0.298 577 H C 0.475 175.456 175.328 -0.578 0.000 1.103 577 H CA 1.898 57.689 56.048 -0.429 0.000 1.293 577 H CB -0.790 28.703 29.762 -0.448 0.000 1.372 577 H HN 0.048 nan 8.280 nan 0.000 0.501 578 F N 1.492 121.344 119.950 -0.162 0.000 2.986 578 F HA 0.191 4.724 4.527 0.010 0.000 0.297 578 F C 1.833 177.497 175.800 -0.227 0.000 1.210 578 F CA -0.541 57.350 58.000 -0.182 0.000 1.346 578 F CB 0.191 39.162 39.000 -0.048 0.000 1.007 578 F HN 0.141 nan 8.300 nan 0.000 0.512 579 R N -1.075 119.232 120.500 -0.321 0.000 2.096 579 R HA -0.199 4.147 4.340 0.010 0.000 0.235 579 R C 1.111 177.176 176.300 -0.391 0.000 1.127 579 R CA 1.692 57.507 56.100 -0.475 0.000 0.968 579 R CB -0.987 28.762 30.300 -0.919 0.000 0.861 579 R HN 0.335 nan 8.270 nan 0.000 0.440 580 Y N 1.265 121.446 120.300 -0.200 0.000 2.293 580 Y HA -0.159 4.397 4.550 0.010 0.000 0.291 580 Y C 2.571 178.459 175.900 -0.020 0.000 1.137 580 Y CA 1.478 59.511 58.100 -0.111 0.000 1.202 580 Y CB -0.046 38.345 38.460 -0.114 0.000 0.990 580 Y HN 0.227 nan 8.280 nan 0.000 0.537 581 E N -0.111 120.181 120.200 0.152 0.000 2.107 581 E HA -0.115 4.241 4.350 0.010 0.000 0.191 581 E C 2.100 178.810 176.600 0.183 0.000 0.982 581 E CA 1.485 57.976 56.400 0.152 0.000 0.809 581 E CB -0.209 29.564 29.700 0.121 0.000 0.756 581 E HN 0.164 nan 8.360 nan 0.000 0.459 582 S N 0.228 115.988 115.700 0.101 0.000 2.402 582 S HA -0.105 4.371 4.470 0.010 0.000 0.229 582 S C 1.627 176.319 174.600 0.155 0.000 1.021 582 S CA 0.865 59.125 58.200 0.101 0.000 0.974 582 S CB -0.334 62.845 63.200 -0.034 0.000 0.800 582 S HN 0.281 nan 8.310 nan 0.000 0.484 583 L N 1.787 123.033 121.223 0.038 0.000 2.353 583 L HA 0.005 4.351 4.340 0.010 0.000 0.220 583 L C 1.632 178.700 176.870 0.331 0.000 1.133 583 L CA 1.536 56.421 54.840 0.075 0.000 0.798 583 L CB -0.388 41.660 42.059 -0.019 0.000 0.922 583 L HN 0.138 nan 8.230 nan 0.000 0.445 584 K N -1.593 118.950 120.400 0.238 0.000 2.418 584 K HA 0.024 4.350 4.320 0.010 0.000 0.195 584 K C -0.290 176.260 176.600 -0.084 0.000 1.035 584 K CA 0.338 56.671 56.287 0.077 0.000 1.003 584 K CB -0.030 32.451 32.500 -0.031 0.000 0.793 584 K HN 0.388 nan 8.250 nan 0.000 0.494 585 H N 0.070 119.280 119.070 0.233 0.000 2.673 585 H HA 0.142 4.704 4.556 0.010 0.000 0.293 585 H C -2.045 173.456 175.328 0.289 0.000 1.065 585 H CA -2.229 53.935 56.048 0.193 0.000 1.236 585 H CB 1.281 31.124 29.762 0.134 0.000 1.389 585 H HN -0.119 nan 8.280 nan 0.000 0.481 586 P HA -0.243 nan 4.420 nan 0.000 0.217 586 P C 0.976 178.392 177.300 0.193 0.000 1.151 586 P CA 1.562 64.632 63.100 -0.050 0.000 0.849 586 P CB 0.359 31.941 31.700 -0.197 0.000 0.787 587 K N -1.042 119.480 120.400 0.204 0.000 2.362 587 K HA 0.042 4.368 4.320 0.010 0.000 0.200 587 K C 1.929 178.686 176.600 0.261 0.000 1.046 587 K CA 1.024 57.430 56.287 0.198 0.000 0.952 587 K CB -0.317 32.258 32.500 0.124 0.000 0.753 587 K HN 0.088 nan 8.250 nan 0.000 0.466 588 A N 0.273 123.300 122.820 0.345 0.000 2.119 588 A HA -0.085 4.241 4.320 0.010 0.000 0.216 588 A C 1.405 179.187 177.584 0.330 0.000 1.152 588 A CA 0.630 52.833 52.037 0.277 0.000 0.708 588 A CB -0.374 18.754 19.000 0.214 0.000 0.805 588 A HN 0.174 nan 8.150 nan 0.000 0.460 589 Y N 0.559 120.987 120.300 0.214 0.000 2.114 589 Y HA -0.138 4.418 4.550 0.010 0.000 0.282 589 Y C -0.206 175.897 175.900 0.339 0.000 1.165 589 Y CA 2.093 60.355 58.100 0.270 0.000 1.148 589 Y CB -1.796 36.832 38.460 0.281 0.000 0.972 589 Y HN 0.286 nan 8.280 nan 0.000 0.504 590 P HA -0.157 nan 4.420 nan 0.000 0.215 590 P C 1.289 178.885 177.300 0.493 0.000 1.157 590 P CA 2.258 65.592 63.100 0.390 0.000 0.868 590 P CB -0.008 31.871 31.700 0.297 0.000 0.788 591 K N -0.912 119.671 120.400 0.305 0.000 2.057 591 K HA -0.112 4.214 4.320 0.010 0.000 0.206 591 K C 2.011 178.706 176.600 0.159 0.000 1.050 591 K CA 0.978 57.392 56.287 0.213 0.000 0.935 591 K CB -0.962 31.620 32.500 0.137 0.000 0.715 591 K HN 0.039 nan 8.250 nan 0.000 0.439 592 L N 0.668 121.933 121.223 0.071 0.000 2.012 592 L HA -0.127 4.219 4.340 0.010 0.000 0.210 592 L C 1.720 178.496 176.870 -0.156 0.000 1.073 592 L CA 1.759 56.520 54.840 -0.132 0.000 0.748 592 L CB -0.501 41.317 42.059 -0.401 0.000 0.891 592 L HN 0.055 nan 8.230 nan 0.000 0.431 593 F N -0.896 119.190 119.950 0.226 0.000 2.661 593 F HA 0.009 4.542 4.527 0.010 0.000 0.298 593 F C 2.269 178.366 175.800 0.495 0.000 1.137 593 F CA 0.757 58.983 58.000 0.377 0.000 1.454 593 F CB -0.392 38.879 39.000 0.453 0.000 1.103 593 F HN 0.033 nan 8.300 nan 0.000 0.577 594 S N -1.213 114.771 115.700 0.473 0.000 2.527 594 S HA -0.059 4.417 4.470 0.010 0.000 0.222 594 S C 1.831 176.501 174.600 0.116 0.000 0.985 594 S CA 0.610 58.958 58.200 0.246 0.000 0.921 594 S CB -0.132 63.157 63.200 0.148 0.000 0.772 594 S HN 0.182 nan 8.310 nan 0.000 0.529 595 S N 0.993 116.731 115.700 0.063 0.000 2.575 595 S HA 0.192 4.668 4.470 0.010 0.000 0.215 595 S C 0.464 174.918 174.600 -0.244 0.000 0.966 595 S CA -0.122 58.059 58.200 -0.032 0.000 0.911 595 S CB 0.237 63.466 63.200 0.048 0.000 0.780 595 S HN 0.181 nan 8.310 nan 0.000 0.514 596 V N 2.987 122.684 119.914 -0.361 0.000 2.530 596 V HA 0.157 4.283 4.120 0.010 0.000 0.282 596 V C 0.283 175.859 176.094 -0.863 0.000 1.048 596 V CA -0.366 61.407 62.300 -0.879 0.000 0.997 596 V CB 0.985 32.061 31.823 -1.245 0.000 0.987 596 V HN 0.222 nan 8.190 nan 0.000 0.477 597 K N 4.922 124.812 120.400 -0.851 0.000 2.171 597 K HA 0.107 4.433 4.320 0.010 0.000 0.274 597 K C 0.151 176.454 176.600 -0.495 0.000 1.110 597 K CA 0.116 56.082 56.287 -0.534 0.000 0.952 597 K CB 0.220 32.451 32.500 -0.449 0.000 1.309 597 K HN 0.697 nan 8.250 nan 0.000 0.414 598 W N 0.987 122.138 121.300 -0.249 0.000 2.525 598 W HA -0.041 4.625 4.660 0.010 0.000 0.259 598 W C 1.833 178.160 176.519 -0.320 0.000 1.253 598 W CA 0.109 57.261 57.345 -0.323 0.000 1.262 598 W CB 0.267 29.430 29.460 -0.495 0.000 1.122 598 W HN 0.649 nan 8.180 nan 0.000 0.607 599 G N -0.310 108.450 108.800 -0.067 0.000 3.181 599 G HA2 0.037 4.003 3.960 0.010 0.000 0.219 599 G HA3 0.037 4.003 3.960 0.010 0.000 0.219 599 G C 0.258 175.099 174.900 -0.098 0.000 1.182 599 G CA -0.230 44.824 45.100 -0.076 0.000 0.791 599 G HN 0.163 nan 8.290 nan 0.000 0.537 600 Q N -0.159 119.549 119.800 -0.152 0.000 2.327 600 Q HA 0.212 4.558 4.340 0.010 0.000 0.270 600 Q C 0.781 176.661 176.000 -0.200 0.000 1.022 600 Q CA -0.619 55.083 55.803 -0.168 0.000 0.773 600 Q CB 1.905 30.522 28.738 -0.202 0.000 1.251 600 Q HN 0.251 nan 8.270 nan 0.000 0.457 601 Q N 2.163 121.846 119.800 -0.196 0.000 2.135 601 Q HA -0.253 4.093 4.340 0.010 0.000 0.204 601 Q C 0.507 176.285 176.000 -0.370 0.000 0.981 601 Q CA 2.333 57.953 55.803 -0.305 0.000 0.856 601 Q CB 0.237 28.710 28.738 -0.440 0.000 0.902 601 Q HN 0.612 nan 8.270 nan 0.000 0.425 602 E N 0.262 120.288 120.200 -0.290 0.000 2.107 602 E HA -0.056 4.300 4.350 0.010 0.000 0.191 602 E C 1.835 178.325 176.600 -0.183 0.000 0.982 602 E CA 1.042 57.300 56.400 -0.237 0.000 0.809 602 E CB -0.164 29.436 29.700 -0.166 0.000 0.756 602 E HN 0.339 nan 8.360 nan 0.000 0.459 603 I N 0.577 121.014 120.570 -0.221 0.000 2.179 603 I HA -0.197 3.979 4.170 0.010 0.000 0.242 603 I C 2.193 178.148 176.117 -0.270 0.000 1.088 603 I CA 0.951 62.087 61.300 -0.273 0.000 1.357 603 I CB -1.110 36.576 38.000 -0.524 0.000 1.051 603 I HN 0.007 nan 8.210 nan 0.000 0.409 604 V N 1.564 121.283 119.914 -0.325 0.000 2.332 604 V HA -0.283 3.843 4.120 0.010 0.000 0.248 604 V C 2.863 178.737 176.094 -0.368 0.000 1.055 604 V CA 1.842 63.946 62.300 -0.328 0.000 1.038 604 V CB -1.300 30.375 31.823 -0.247 0.000 0.651 604 V HN 0.467 nan 8.190 nan 0.000 0.450 605 A N -0.267 122.358 122.820 -0.324 0.000 1.908 605 A HA -0.258 4.068 4.320 0.010 0.000 0.218 605 A C 2.312 179.873 177.584 -0.038 0.000 1.181 605 A CA 2.086 53.982 52.037 -0.236 0.000 0.627 605 A CB -0.455 18.389 19.000 -0.259 0.000 0.818 605 A HN 0.553 nan 8.150 nan 0.000 0.445 606 K N -0.972 119.434 120.400 0.010 0.000 2.148 606 K HA -0.078 4.248 4.320 0.010 0.000 0.204 606 K C 2.028 178.723 176.600 0.159 0.000 1.050 606 K CA 1.618 57.967 56.287 0.104 0.000 0.942 606 K CB -0.311 32.299 32.500 0.184 0.000 0.724 606 K HN 0.490 nan 8.250 nan 0.000 0.446 607 T N 0.452 115.141 114.554 0.225 0.000 2.821 607 T HA -0.122 4.234 4.350 0.010 0.000 0.267 607 T C 1.600 176.565 174.700 0.441 0.000 1.046 607 T CA 1.100 63.393 62.100 0.321 0.000 1.139 607 T CB -0.303 68.705 68.868 0.232 0.000 0.871 607 T HN 0.310 nan 8.240 nan 0.000 0.454 608 Y N 1.565 121.953 120.300 0.147 0.000 2.293 608 Y HA -0.138 4.418 4.550 0.010 0.000 0.291 608 Y C 2.919 178.882 175.900 0.105 0.000 1.137 608 Y CA 0.337 58.518 58.100 0.135 0.000 1.202 608 Y CB -0.201 38.343 38.460 0.139 0.000 0.990 608 Y HN 0.302 nan 8.280 nan 0.000 0.537 609 Q N 0.283 120.233 119.800 0.250 0.000 2.124 609 Q HA -0.182 4.164 4.340 0.010 0.000 0.202 609 Q C 2.296 178.386 176.000 0.149 0.000 0.977 609 Q CA 1.196 57.102 55.803 0.172 0.000 0.850 609 Q CB -0.174 28.649 28.738 0.142 0.000 0.901 609 Q HN 0.556 nan 8.270 nan 0.000 0.429 610 L N 0.438 121.714 121.223 0.089 0.000 1.989 610 L HA -0.247 4.099 4.340 0.010 0.000 0.211 610 L C 2.351 179.284 176.870 0.106 0.000 1.071 610 L CA 1.246 56.092 54.840 0.010 0.000 0.749 610 L CB -0.508 41.501 42.059 -0.085 0.000 0.890 610 L HN 0.293 nan 8.230 nan 0.000 0.431 611 L N -0.512 120.798 121.223 0.146 0.000 2.191 611 L HA -0.192 4.154 4.340 0.010 0.000 0.212 611 L C 2.674 179.587 176.870 0.073 0.000 1.103 611 L CA 0.934 55.822 54.840 0.080 0.000 0.769 611 L CB -0.631 41.417 42.059 -0.018 0.000 0.908 611 L HN 0.271 nan 8.230 nan 0.000 0.438 612 A N -0.080 122.798 122.820 0.097 0.000 2.119 612 A HA -0.069 4.257 4.320 0.010 0.000 0.217 612 A C 1.621 179.269 177.584 0.107 0.000 1.153 612 A CA 0.652 52.744 52.037 0.093 0.000 0.692 612 A CB -0.252 18.810 19.000 0.102 0.000 0.799 612 A HN 0.347 nan 8.150 nan 0.000 0.458 613 R N 0.278 120.857 120.500 0.131 0.000 3.863 613 R HA 0.227 4.573 4.340 0.010 0.000 0.304 613 R C -0.611 175.791 176.300 0.170 0.000 1.485 613 R CA -0.119 56.069 56.100 0.147 0.000 1.355 613 R CB 0.160 30.574 30.300 0.190 0.000 1.457 613 R HN 0.230 nan 8.270 nan 0.000 0.669 614 R N 0.749 121.349 120.500 0.167 0.000 2.666 614 R HA 0.097 4.443 4.340 0.010 0.000 0.275 614 R C -0.074 176.353 176.300 0.211 0.000 1.266 614 R CA -0.112 56.126 56.100 0.231 0.000 1.401 614 R CB 0.799 31.226 30.300 0.211 0.000 1.145 614 R HN 0.270 nan 8.270 nan 0.000 0.581 615 E N 0.190 120.503 120.200 0.190 0.000 2.228 615 E HA -0.026 4.330 4.350 0.010 0.000 0.197 615 E C 1.536 178.212 176.600 0.127 0.000 0.909 615 E CA 0.293 56.775 56.400 0.135 0.000 0.911 615 E CB 0.377 30.133 29.700 0.094 0.000 0.887 615 E HN 0.137 nan 8.360 nan 0.000 0.481 616 V N 1.494 121.495 119.914 0.145 0.000 2.594 616 V HA -0.201 3.925 4.120 0.010 0.000 0.253 616 V C 1.747 177.886 176.094 0.075 0.000 1.069 616 V CA 1.416 63.772 62.300 0.093 0.000 1.082 616 V CB -0.458 31.424 31.823 0.098 0.000 0.680 616 V HN 0.507 nan 8.190 nan 0.000 0.469 617 W N 1.350 122.635 121.300 -0.025 0.000 2.409 617 W HA -0.130 4.536 4.660 0.010 0.000 0.299 617 W C 1.737 178.205 176.519 -0.084 0.000 1.203 617 W CA 1.671 58.935 57.345 -0.135 0.000 1.298 617 W CB -0.110 29.301 29.460 -0.081 0.000 1.127 617 W HN 0.349 nan 8.180 nan 0.000 0.528 618 D N 0.012 120.482 120.400 0.118 0.000 2.317 618 D HA -0.112 4.534 4.640 0.010 0.000 0.211 618 D C 1.931 178.195 176.300 -0.061 0.000 0.966 618 D CA 1.162 55.182 54.000 0.033 0.000 0.876 618 D CB -0.319 40.555 40.800 0.123 0.000 0.927 618 D HN 0.402 nan 8.370 nan 0.000 0.519 619 Q N 0.150 119.913 119.800 -0.062 0.000 2.396 619 Q HA 0.074 4.420 4.340 0.010 0.000 0.209 619 Q C 0.525 176.448 176.000 -0.127 0.000 0.906 619 Q CA -0.069 55.692 55.803 -0.071 0.000 0.927 619 Q CB 0.499 29.217 28.738 -0.033 0.000 1.069 619 Q HN 0.128 nan 8.270 nan 0.000 0.523 620 S N 0.418 115.993 115.700 -0.209 0.000 2.576 620 S HA 0.462 4.938 4.470 0.010 0.000 0.276 620 S C 0.209 174.651 174.600 -0.265 0.000 1.339 620 S CA -0.661 57.385 58.200 -0.256 0.000 1.039 620 S CB 1.218 64.194 63.200 -0.375 0.000 0.902 620 S HN 0.234 nan 8.310 nan 0.000 0.516 621 A N 2.406 125.103 122.820 -0.205 0.000 2.477 621 A HA 0.410 4.736 4.320 0.010 0.000 0.246 621 A C 0.249 177.701 177.584 -0.220 0.000 1.078 621 A CA -0.644 51.290 52.037 -0.171 0.000 0.770 621 A CB -0.238 18.692 19.000 -0.117 0.000 1.011 621 A HN 1.068 nan 8.150 nan 0.000 0.494 622 L N 2.082 123.192 121.223 -0.188 0.000 2.667 622 L HA 0.071 4.417 4.340 0.010 0.000 0.278 622 L C -0.176 176.593 176.870 -0.167 0.000 1.217 622 L CA 0.887 55.610 54.840 -0.194 0.000 0.935 622 L CB -0.032 41.955 42.059 -0.121 0.000 1.193 622 L HN 0.671 nan 8.230 nan 0.000 0.493 623 D N 4.152 124.429 120.400 -0.205 0.000 2.420 623 D HA 0.148 4.794 4.640 0.010 0.000 0.255 623 D C 0.799 177.010 176.300 -0.148 0.000 1.185 623 D CA -0.398 53.514 54.000 -0.147 0.000 0.904 623 D CB 1.321 42.030 40.800 -0.151 0.000 1.102 623 D HN 0.362 nan 8.370 nan 0.000 0.534 624 V N 3.644 123.463 119.914 -0.159 0.000 2.343 624 V HA -0.104 4.022 4.120 0.010 0.000 0.247 624 V C 2.492 178.468 176.094 -0.196 0.000 1.051 624 V CA 2.280 64.425 62.300 -0.259 0.000 1.036 624 V CB -0.511 30.998 31.823 -0.524 0.000 0.654 624 V HN 0.684 nan 8.190 nan 0.000 0.451 625 G N -0.039 108.693 108.800 -0.113 0.000 2.446 625 G HA2 -0.292 3.674 3.960 0.010 0.000 0.217 625 G HA3 -0.292 3.674 3.960 0.010 0.000 0.217 625 G C 1.583 176.470 174.900 -0.022 0.000 1.168 625 G CA 1.334 46.407 45.100 -0.046 0.000 0.771 625 G HN 0.453 nan 8.290 nan 0.000 0.551 626 L N 0.885 122.096 121.223 -0.019 0.000 2.027 626 L HA 0.010 4.356 4.340 0.010 0.000 0.206 626 L C 2.948 179.853 176.870 0.059 0.000 1.074 626 L CA 2.695 57.554 54.840 0.032 0.000 0.745 626 L CB -1.038 41.028 42.059 0.013 0.000 0.898 626 L HN 0.203 nan 8.230 nan 0.000 0.433 627 T N -0.119 114.441 114.554 0.009 0.000 2.720 627 T HA -0.197 4.159 4.350 0.010 0.000 0.268 627 T C 1.950 176.636 174.700 -0.023 0.000 1.037 627 T CA 1.838 63.954 62.100 0.027 0.000 1.144 627 T CB -0.245 68.591 68.868 -0.053 0.000 0.864 627 T HN 0.234 nan 8.240 nan 0.000 0.444 628 M N 1.417 120.985 119.600 -0.052 0.000 2.202 628 M HA -0.091 4.395 4.480 0.010 0.000 0.262 628 M C 2.272 178.569 176.300 -0.006 0.000 1.063 628 M CA 1.446 56.725 55.300 -0.035 0.000 1.097 628 M CB -1.159 31.416 32.600 -0.041 0.000 1.382 628 M HN 0.413 nan 8.290 nan 0.000 0.413 629 Q N -0.056 119.748 119.800 0.006 0.000 2.291 629 Q HA -0.064 4.282 4.340 0.010 0.000 0.206 629 Q C 1.926 177.908 176.000 -0.029 0.000 0.976 629 Q CA 0.863 56.693 55.803 0.045 0.000 0.875 629 Q CB -0.186 28.604 28.738 0.087 0.000 0.927 629 Q HN 0.517 nan 8.270 nan 0.000 0.450 630 L N -0.094 121.010 121.223 -0.197 0.000 2.492 630 L HA 0.008 4.354 4.340 0.010 0.000 0.223 630 L C 1.443 178.187 176.870 -0.210 0.000 1.132 630 L CA 0.327 54.859 54.840 -0.513 0.000 0.850 630 L CB 0.136 41.927 42.059 -0.446 0.000 0.966 630 L HN 0.212 nan 8.230 nan 0.000 0.454 631 L N -0.420 120.773 121.223 -0.051 0.000 2.728 631 L HA 0.115 4.461 4.340 0.010 0.000 0.238 631 L C 0.726 177.643 176.870 0.080 0.000 1.143 631 L CA -0.405 54.456 54.840 0.033 0.000 0.937 631 L CB -0.214 41.871 42.059 0.043 0.000 1.225 631 L HN 0.259 nan 8.230 nan 0.000 0.507 632 D N -0.482 119.906 120.400 -0.020 0.000 2.469 632 D HA -0.036 4.610 4.640 0.010 0.000 0.278 632 D C 1.398 177.300 176.300 -0.663 0.000 1.231 632 D CA -0.224 53.519 54.000 -0.428 0.000 1.075 632 D CB 0.648 41.273 40.800 -0.290 0.000 1.121 632 D HN 0.124 nan 8.370 nan 0.000 0.571 633 C N -1.452 117.197 119.300 -1.086 0.000 2.491 633 C HA 0.182 4.648 4.460 0.010 0.000 0.277 633 C C 1.558 176.344 174.990 -0.341 0.000 1.455 633 C CA -0.137 58.473 59.018 -0.681 0.000 1.758 633 C CB -1.986 25.441 27.740 -0.522 0.000 1.745 633 C HN 0.483 nan 8.230 nan 0.000 0.558 634 N N -0.604 117.889 118.700 -0.344 0.000 2.467 634 N HA 0.209 4.955 4.740 0.010 0.000 0.184 634 N C -0.659 174.337 175.510 -0.856 0.000 1.106 634 N CA 0.476 53.192 53.050 -0.557 0.000 0.892 634 N CB 0.053 38.139 38.487 -0.667 0.000 0.969 634 N HN 0.546 nan 8.380 nan 0.000 0.454 635 F N -0.854 118.984 119.950 -0.188 0.000 2.499 635 F HA 0.380 4.913 4.527 0.010 0.000 0.333 635 F C 0.655 176.256 175.800 -0.331 0.000 1.138 635 F CA -0.795 57.066 58.000 -0.232 0.000 0.945 635 F CB 2.001 40.916 39.000 -0.142 0.000 1.181 635 F HN -0.191 nan 8.300 nan 0.000 0.435 636 S N -0.152 115.281 115.700 -0.445 0.000 2.512 636 S HA -0.029 4.447 4.470 0.010 0.000 0.216 636 S C 0.115 174.471 174.600 -0.407 0.000 1.006 636 S CA -0.220 57.650 58.200 -0.550 0.000 0.915 636 S CB -0.005 62.566 63.200 -1.048 0.000 0.824 636 S HN 0.650 nan 8.310 nan 0.000 0.497 637 D N 2.513 122.679 120.400 -0.389 0.000 2.343 637 D HA 0.006 4.652 4.640 0.010 0.000 0.255 637 D C 1.037 177.291 176.300 -0.077 0.000 1.187 637 D CA 0.106 53.992 54.000 -0.190 0.000 0.875 637 D CB 0.975 41.574 40.800 -0.334 0.000 1.136 637 D HN 0.464 nan 8.370 nan 0.000 0.469 638 E N 3.309 123.509 120.200 0.000 0.000 2.208 638 E HA -0.182 4.174 4.350 0.010 0.000 0.193 638 E C 0.694 177.262 176.600 -0.053 0.000 0.988 638 E CA 0.468 56.864 56.400 -0.005 0.000 0.828 638 E CB 0.029 29.752 29.700 0.039 0.000 0.763 638 E HN 0.293 nan 8.360 nan 0.000 0.478 639 N N 1.063 119.711 118.700 -0.086 0.000 2.188 639 N HA -0.100 4.646 4.740 0.010 0.000 0.184 639 N C 1.870 177.239 175.510 -0.235 0.000 1.018 639 N CA 1.223 54.155 53.050 -0.196 0.000 0.858 639 N CB -0.249 37.981 38.487 -0.428 0.000 0.989 639 N HN 0.061 nan 8.380 nan 0.000 0.426 640 V N 1.126 120.899 119.914 -0.235 0.000 2.358 640 V HA -0.153 3.973 4.120 0.010 0.000 0.246 640 V C 2.154 178.050 176.094 -0.330 0.000 1.047 640 V CA 1.495 63.561 62.300 -0.389 0.000 1.035 640 V CB -0.322 31.288 31.823 -0.357 0.000 0.658 640 V HN 0.273 nan 8.190 nan 0.000 0.452 641 R N 0.066 120.445 120.500 -0.202 0.000 2.148 641 R HA -0.023 4.323 4.340 0.010 0.000 0.227 641 R C 2.352 178.582 176.300 -0.118 0.000 1.103 641 R CA 1.215 57.227 56.100 -0.148 0.000 0.983 641 R CB -0.462 29.796 30.300 -0.070 0.000 0.874 641 R HN 0.532 nan 8.270 nan 0.000 0.451 642 A N 1.902 124.656 122.820 -0.110 0.000 1.930 642 A HA -0.106 4.220 4.320 0.010 0.000 0.217 642 A C 2.171 179.714 177.584 -0.069 0.000 1.175 642 A CA 1.131 53.126 52.037 -0.071 0.000 0.627 642 A CB -0.550 18.417 19.000 -0.056 0.000 0.815 642 A HN 0.465 nan 8.150 nan 0.000 0.443 643 I N -3.156 117.337 120.570 -0.128 0.000 2.676 643 I HA 0.007 4.183 4.170 0.010 0.000 0.259 643 I C 2.170 178.351 176.117 0.106 0.000 1.194 643 I CA 1.223 62.480 61.300 -0.072 0.000 1.473 643 I CB -0.312 37.479 38.000 -0.348 0.000 1.096 643 I HN 0.169 nan 8.210 nan 0.000 0.443 644 A N 1.576 124.394 122.820 -0.002 0.000 1.872 644 A HA -0.029 4.297 4.320 0.010 0.000 0.214 644 A C 2.368 179.937 177.584 -0.025 0.000 1.187 644 A CA 1.765 53.846 52.037 0.073 0.000 0.614 644 A CB -0.998 17.980 19.000 -0.037 0.000 0.826 644 A HN 0.321 nan 8.150 nan 0.000 0.442 645 V N 0.585 120.441 119.914 -0.097 0.000 2.343 645 V HA -0.322 3.804 4.120 0.010 0.000 0.247 645 V C 2.739 178.706 176.094 -0.212 0.000 1.051 645 V CA 2.240 64.402 62.300 -0.231 0.000 1.036 645 V CB -0.879 30.845 31.823 -0.164 0.000 0.654 645 V HN 0.799 nan 8.190 nan 0.000 0.451 646 Q N 0.029 119.797 119.800 -0.054 0.000 2.152 646 Q HA -0.290 4.056 4.340 0.010 0.000 0.206 646 Q C 2.177 178.174 176.000 -0.004 0.000 0.985 646 Q CA 1.713 57.522 55.803 0.009 0.000 0.863 646 Q CB -0.024 28.763 28.738 0.081 0.000 0.904 646 Q HN 0.459 nan 8.270 nan 0.000 0.422 647 K N 0.479 120.880 120.400 0.001 0.000 2.155 647 K HA -0.046 4.280 4.320 0.010 0.000 0.203 647 K C 2.128 178.656 176.600 -0.120 0.000 1.052 647 K CA 0.707 56.951 56.287 -0.072 0.000 0.948 647 K CB -0.286 32.153 32.500 -0.102 0.000 0.728 647 K HN 0.340 nan 8.250 nan 0.000 0.448 648 L N 1.388 122.481 121.223 -0.218 0.000 2.275 648 L HA -0.115 4.231 4.340 0.010 0.000 0.215 648 L C 2.094 178.892 176.870 -0.121 0.000 1.119 648 L CA 0.754 55.410 54.840 -0.307 0.000 0.790 648 L CB -0.363 41.242 42.059 -0.756 0.000 0.919 648 L HN 0.122 nan 8.230 nan 0.000 0.443 649 E N 0.250 120.416 120.200 -0.057 0.000 2.171 649 E HA -0.219 4.137 4.350 0.010 0.000 0.197 649 E C 2.223 178.937 176.600 0.189 0.000 0.997 649 E CA 1.741 58.269 56.400 0.214 0.000 0.810 649 E CB -0.183 29.598 29.700 0.135 0.000 0.738 649 E HN 0.576 nan 8.360 nan 0.000 0.467 650 S N -0.060 115.697 115.700 0.094 0.000 2.593 650 S HA 0.079 4.555 4.470 0.010 0.000 0.217 650 S C 1.047 175.704 174.600 0.095 0.000 0.966 650 S CA -0.255 57.990 58.200 0.075 0.000 0.914 650 S CB -0.228 62.984 63.200 0.021 0.000 0.776 650 S HN 0.046 nan 8.310 nan 0.000 0.523 651 L N 2.950 124.258 121.223 0.142 0.000 2.490 651 L HA 0.165 4.511 4.340 0.010 0.000 0.274 651 L C 0.877 177.848 176.870 0.168 0.000 1.201 651 L CA -0.158 54.784 54.840 0.170 0.000 0.869 651 L CB 0.437 42.642 42.059 0.245 0.000 1.123 651 L HN 0.522 nan 8.230 nan 0.000 0.484 652 E N 1.805 122.093 120.200 0.148 0.000 2.314 652 E HA 0.086 4.442 4.350 0.010 0.000 0.262 652 E C -0.249 176.443 176.600 0.153 0.000 1.093 652 E CA -0.863 55.616 56.400 0.132 0.000 0.908 652 E CB 1.029 30.794 29.700 0.108 0.000 1.091 652 E HN 0.482 nan 8.360 nan 0.000 0.425 653 D N 1.325 121.805 120.400 0.133 0.000 2.157 653 D HA -0.244 4.402 4.640 0.010 0.000 0.191 653 D C 1.305 177.697 176.300 0.153 0.000 1.004 653 D CA 2.018 56.094 54.000 0.127 0.000 0.854 653 D CB -0.350 40.519 40.800 0.116 0.000 0.936 653 D HN 0.673 nan 8.370 nan 0.000 0.446 654 D N 0.012 120.534 120.400 0.204 0.000 2.178 654 D HA -0.132 4.514 4.640 0.010 0.000 0.201 654 D C 1.361 177.791 176.300 0.217 0.000 0.980 654 D CA 1.011 55.164 54.000 0.254 0.000 0.842 654 D CB 0.057 41.025 40.800 0.280 0.000 0.948 654 D HN 0.052 nan 8.370 nan 0.000 0.472 655 D N -0.821 119.737 120.400 0.263 0.000 2.194 655 D HA -0.051 4.595 4.640 0.010 0.000 0.204 655 D C 2.181 178.691 176.300 0.350 0.000 0.964 655 D CA 0.282 54.492 54.000 0.349 0.000 0.846 655 D CB 0.142 41.136 40.800 0.324 0.000 0.962 655 D HN 0.143 nan 8.370 nan 0.000 0.490 656 V N 1.236 121.313 119.914 0.271 0.000 2.490 656 V HA -0.201 3.925 4.120 0.010 0.000 0.250 656 V C 2.585 178.790 176.094 0.186 0.000 1.061 656 V CA 1.004 63.463 62.300 0.265 0.000 1.064 656 V CB -0.360 31.575 31.823 0.187 0.000 0.670 656 V HN 0.165 nan 8.190 nan 0.000 0.461 657 L N -1.118 120.157 121.223 0.085 0.000 1.994 657 L HA -0.178 4.168 4.340 0.010 0.000 0.208 657 L C 2.663 179.490 176.870 -0.072 0.000 1.071 657 L CA 1.648 56.468 54.840 -0.033 0.000 0.745 657 L CB -0.955 41.029 42.059 -0.125 0.000 0.892 657 L HN 0.353 nan 8.230 nan 0.000 0.431 658 H N -0.877 118.142 119.070 -0.085 0.000 2.394 658 H HA -0.222 4.341 4.556 0.010 0.000 0.297 658 H C 1.463 176.542 175.328 -0.415 0.000 1.113 658 H CA 1.999 57.847 56.048 -0.332 0.000 1.277 658 H CB -0.167 29.241 29.762 -0.590 0.000 1.370 658 H HN 0.448 nan 8.280 nan 0.000 0.506 659 Y N -1.014 119.389 120.300 0.172 0.000 2.481 659 Y HA 0.042 4.598 4.550 0.010 0.000 0.247 659 Y C 1.958 177.929 175.900 0.118 0.000 1.151 659 Y CA -0.454 57.717 58.100 0.119 0.000 1.238 659 Y CB 0.435 38.964 38.460 0.116 0.000 1.179 659 Y HN -0.013 nan 8.280 nan 0.000 0.524 660 L N 0.129 121.500 121.223 0.247 0.000 2.017 660 L HA -0.191 4.155 4.340 0.010 0.000 0.208 660 L C 2.160 179.181 176.870 0.252 0.000 1.073 660 L CA 1.570 56.580 54.840 0.283 0.000 0.745 660 L CB -0.768 41.470 42.059 0.299 0.000 0.894 660 L HN 0.286 nan 8.230 nan 0.000 0.432 661 L N -0.287 121.004 121.223 0.114 0.000 1.990 661 L HA -0.295 4.051 4.340 0.010 0.000 0.213 661 L C 2.476 179.242 176.870 -0.172 0.000 1.072 661 L CA 2.069 56.688 54.840 -0.367 0.000 0.755 661 L CB -0.844 40.841 42.059 -0.623 0.000 0.889 661 L HN 0.497 nan 8.230 nan 0.000 0.432 662 Q N -1.255 118.520 119.800 -0.043 0.000 2.311 662 Q HA -0.071 4.275 4.340 0.010 0.000 0.203 662 Q C 2.298 178.332 176.000 0.056 0.000 0.954 662 Q CA 0.911 56.713 55.803 -0.002 0.000 0.885 662 Q CB -0.031 28.731 28.738 0.041 0.000 0.963 662 Q HN 0.531 nan 8.270 nan 0.000 0.471 663 L N -0.061 121.231 121.223 0.114 0.000 2.046 663 L HA -0.177 4.169 4.340 0.010 0.000 0.208 663 L C 2.297 179.241 176.870 0.123 0.000 1.077 663 L CA 0.846 55.771 54.840 0.142 0.000 0.747 663 L CB -0.408 41.782 42.059 0.217 0.000 0.896 663 L HN 0.085 nan 8.230 nan 0.000 0.432 664 V N -0.773 119.205 119.914 0.106 0.000 2.343 664 V HA -0.262 3.864 4.120 0.010 0.000 0.247 664 V C 2.536 178.670 176.094 0.068 0.000 1.051 664 V CA 1.435 63.794 62.300 0.098 0.000 1.036 664 V CB -0.536 31.310 31.823 0.038 0.000 0.654 664 V HN 0.472 nan 8.190 nan 0.000 0.451 665 Q N 0.047 119.820 119.800 -0.045 0.000 2.181 665 Q HA -0.134 4.212 4.340 0.010 0.000 0.205 665 Q C 2.325 178.199 176.000 -0.210 0.000 0.980 665 Q CA 1.802 57.532 55.803 -0.122 0.000 0.862 665 Q CB -0.657 27.984 28.738 -0.162 0.000 0.905 665 Q HN 0.669 nan 8.270 nan 0.000 0.429 666 A N 0.230 123.003 122.820 -0.077 0.000 2.168 666 A HA -0.024 4.301 4.320 0.010 0.000 0.215 666 A C 2.276 179.809 177.584 -0.084 0.000 1.152 666 A CA 0.563 52.586 52.037 -0.023 0.000 0.716 666 A CB -0.270 18.826 19.000 0.159 0.000 0.794 666 A HN 0.184 nan 8.150 nan 0.000 0.465 667 V N 0.277 120.142 119.914 -0.081 0.000 2.594 667 V HA -0.254 3.872 4.120 0.010 0.000 0.253 667 V C 2.188 178.075 176.094 -0.345 0.000 1.069 667 V CA 2.120 64.353 62.300 -0.111 0.000 1.082 667 V CB -0.633 31.187 31.823 -0.005 0.000 0.680 667 V HN 0.578 nan 8.190 nan 0.000 0.469 668 K N -0.440 119.585 120.400 -0.624 0.000 2.360 668 K HA -0.072 4.254 4.320 0.010 0.000 0.201 668 K C 1.500 177.753 176.600 -0.578 0.000 1.046 668 K CA 1.293 56.975 56.287 -1.009 0.000 0.945 668 K CB -0.203 31.497 32.500 -1.334 0.000 0.750 668 K HN 0.504 nan 8.250 nan 0.000 0.464 669 F N 1.105 120.961 119.950 -0.158 0.000 2.727 669 F HA 0.099 4.632 4.527 0.010 0.000 0.302 669 F C 0.553 176.298 175.800 -0.092 0.000 1.097 669 F CA -0.502 57.441 58.000 -0.094 0.000 1.330 669 F CB 0.434 39.397 39.000 -0.062 0.000 1.084 669 F HN -0.184 nan 8.300 nan 0.000 0.578 670 E N 1.512 121.727 120.200 0.025 0.000 2.259 670 E HA 0.103 4.459 4.350 0.010 0.000 0.281 670 E C -1.631 174.913 176.600 -0.094 0.000 1.037 670 E CA -1.851 54.544 56.400 -0.008 0.000 0.854 670 E CB 1.071 30.769 29.700 -0.002 0.000 1.051 670 E HN 0.050 nan 8.360 nan 0.000 0.409 671 P HA -0.106 nan 4.420 nan 0.000 0.217 671 P C -0.345 176.550 177.300 -0.676 0.000 1.150 671 P CA 1.377 64.219 63.100 -0.430 0.000 0.832 671 P CB 0.139 31.556 31.700 -0.472 0.000 0.787 672 Y N -2.644 117.564 120.300 -0.152 0.000 2.468 672 Y HA 0.255 4.811 4.550 0.010 0.000 0.342 672 Y C 2.047 177.852 175.900 -0.159 0.000 1.021 672 Y CA -0.766 57.217 58.100 -0.195 0.000 1.079 672 Y CB 0.794 39.201 38.460 -0.088 0.000 1.226 672 Y HN -0.089 nan 8.280 nan 0.000 0.460 673 H N -0.373 118.781 119.070 0.141 0.000 2.321 673 H HA -0.108 4.454 4.556 0.010 0.000 0.300 673 H C 0.009 175.386 175.328 0.083 0.000 1.087 673 H CA 1.333 57.416 56.048 0.059 0.000 1.319 673 H CB 0.042 29.821 29.762 0.028 0.000 1.379 673 H HN 0.555 nan 8.280 nan 0.000 0.501 674 D N 1.465 122.012 120.400 0.244 0.000 2.325 674 D HA 0.158 4.804 4.640 0.010 0.000 0.251 674 D C -0.311 176.082 176.300 0.154 0.000 1.196 674 D CA -0.091 54.015 54.000 0.177 0.000 0.866 674 D CB 0.542 41.450 40.800 0.180 0.000 1.101 674 D HN 0.281 nan 8.370 nan 0.000 0.476 675 S N 1.764 117.540 115.700 0.127 0.000 2.618 675 S HA 0.676 5.152 4.470 0.010 0.000 0.277 675 S C 1.006 175.668 174.600 0.104 0.000 1.138 675 S CA -0.329 57.937 58.200 0.110 0.000 0.844 675 S CB 1.407 64.668 63.200 0.102 0.000 1.127 675 S HN 0.275 nan 8.310 nan 0.000 0.474 676 A N 0.826 123.698 122.820 0.088 0.000 1.892 676 A HA -0.056 4.270 4.320 0.010 0.000 0.218 676 A C 2.042 179.705 177.584 0.132 0.000 1.188 676 A CA 1.973 54.066 52.037 0.094 0.000 0.631 676 A CB -1.152 17.880 19.000 0.054 0.000 0.822 676 A HN 1.099 nan 8.150 nan 0.000 0.447 677 L N -0.233 121.056 121.223 0.110 0.000 2.012 677 L HA -0.103 4.243 4.340 0.010 0.000 0.210 677 L C 2.674 179.671 176.870 0.212 0.000 1.073 677 L CA 2.386 57.315 54.840 0.148 0.000 0.748 677 L CB -0.963 41.155 42.059 0.100 0.000 0.891 677 L HN 0.360 nan 8.230 nan 0.000 0.431 678 A N -0.279 122.636 122.820 0.159 0.000 1.877 678 A HA -0.223 4.103 4.320 0.010 0.000 0.216 678 A C 2.384 180.062 177.584 0.157 0.000 1.186 678 A CA 1.872 54.000 52.037 0.152 0.000 0.620 678 A CB -0.583 18.490 19.000 0.123 0.000 0.822 678 A HN 0.537 nan 8.150 nan 0.000 0.443 679 R N -1.954 118.639 120.500 0.154 0.000 2.096 679 R HA -0.127 4.219 4.340 0.010 0.000 0.235 679 R C 2.004 178.404 176.300 0.167 0.000 1.127 679 R CA 1.499 57.683 56.100 0.140 0.000 0.968 679 R CB -0.561 29.814 30.300 0.125 0.000 0.861 679 R HN 0.607 nan 8.270 nan 0.000 0.440 680 F N 1.876 121.867 119.950 0.069 0.000 2.075 680 F HA -0.174 4.360 4.527 0.010 0.000 0.297 680 F C 1.987 177.834 175.800 0.078 0.000 1.113 680 F CA 1.443 59.485 58.000 0.070 0.000 1.218 680 F CB -0.401 38.639 39.000 0.067 0.000 0.984 680 F HN -0.141 nan 8.300 nan 0.000 0.472 681 L N -0.198 121.088 121.223 0.105 0.000 2.013 681 L HA -0.253 4.093 4.340 0.010 0.000 0.212 681 L C 2.502 179.344 176.870 -0.046 0.000 1.073 681 L CA 1.424 56.263 54.840 -0.002 0.000 0.753 681 L CB -1.055 41.078 42.059 0.123 0.000 0.890 681 L HN 0.338 nan 8.230 nan 0.000 0.432 682 L N 0.124 121.365 121.223 0.031 0.000 2.012 682 L HA -0.249 4.097 4.340 0.010 0.000 0.210 682 L C 2.570 179.472 176.870 0.053 0.000 1.073 682 L CA 1.919 56.802 54.840 0.072 0.000 0.748 682 L CB -0.583 41.535 42.059 0.099 0.000 0.891 682 L HN 0.125 nan 8.230 nan 0.000 0.431 683 K N -1.172 119.221 120.400 -0.012 0.000 2.026 683 K HA -0.149 4.177 4.320 0.010 0.000 0.208 683 K C 2.166 178.718 176.600 -0.079 0.000 1.048 683 K CA 1.097 57.364 56.287 -0.033 0.000 0.929 683 K CB -0.014 32.463 32.500 -0.040 0.000 0.713 683 K HN 0.214 nan 8.250 nan 0.000 0.439 684 R N -0.370 119.995 120.500 -0.224 0.000 2.148 684 R HA -0.020 4.326 4.340 0.010 0.000 0.223 684 R C 2.221 178.485 176.300 -0.060 0.000 1.088 684 R CA 1.135 57.104 56.100 -0.218 0.000 0.985 684 R CB -0.756 29.265 30.300 -0.465 0.000 0.880 684 R HN 0.384 nan 8.270 nan 0.000 0.451 685 G N 0.574 109.357 108.800 -0.029 0.000 2.403 685 G HA2 -0.139 3.827 3.960 0.010 0.000 0.216 685 G HA3 -0.139 3.827 3.960 0.010 0.000 0.216 685 G C 1.470 176.552 174.900 0.303 0.000 1.154 685 G CA 0.012 45.136 45.100 0.040 0.000 0.784 685 G HN 0.202 nan 8.290 nan 0.000 0.538 686 L N -0.420 120.972 121.223 0.282 0.000 2.478 686 L HA 0.187 4.533 4.340 0.010 0.000 0.223 686 L C 2.754 179.700 176.870 0.127 0.000 1.140 686 L CA 0.217 55.201 54.840 0.240 0.000 0.842 686 L CB -0.091 42.028 42.059 0.099 0.000 0.953 686 L HN 0.158 nan 8.230 nan 0.000 0.452 687 R N -0.065 120.514 120.500 0.132 0.000 2.173 687 R HA 0.017 4.363 4.340 0.010 0.000 0.208 687 R C 0.497 176.967 176.300 0.284 0.000 1.035 687 R CA 0.393 56.565 56.100 0.120 0.000 1.004 687 R CB 0.435 30.769 30.300 0.057 0.000 0.917 687 R HN 0.174 nan 8.270 nan 0.000 0.462 688 N N 0.539 119.402 118.700 0.273 0.000 2.480 688 N HA 0.082 4.828 4.740 0.010 0.000 0.289 688 N C -0.297 175.292 175.510 0.131 0.000 1.073 688 N CA -0.158 53.012 53.050 0.200 0.000 0.885 688 N CB 1.689 40.239 38.487 0.104 0.000 1.421 688 N HN -0.075 nan 8.380 nan 0.000 0.503 689 K N 1.874 122.257 120.400 -0.027 0.000 2.074 689 K HA -0.180 4.146 4.320 0.010 0.000 0.209 689 K C 1.698 178.205 176.600 -0.154 0.000 1.048 689 K CA 1.269 57.456 56.287 -0.167 0.000 0.926 689 K CB 0.206 32.425 32.500 -0.468 0.000 0.713 689 K HN 0.494 nan 8.250 nan 0.000 0.444 690 R N 1.217 121.594 120.500 -0.205 0.000 2.073 690 R HA -0.107 4.239 4.340 0.010 0.000 0.234 690 R C 2.241 178.529 176.300 -0.020 0.000 1.134 690 R CA 1.333 57.306 56.100 -0.211 0.000 0.952 690 R CB -0.204 29.907 30.300 -0.316 0.000 0.850 690 R HN 0.144 nan 8.270 nan 0.000 0.433 691 I N -0.027 120.543 120.570 -0.000 0.000 2.226 691 I HA -0.166 4.010 4.170 0.010 0.000 0.245 691 I C 2.446 178.562 176.117 -0.002 0.000 1.100 691 I CA 1.403 62.724 61.300 0.035 0.000 1.374 691 I CB -0.571 37.437 38.000 0.014 0.000 1.057 691 I HN 0.411 nan 8.210 nan 0.000 0.413 692 G N -0.169 108.645 108.800 0.023 0.000 2.422 692 G HA2 -0.330 3.636 3.960 0.010 0.000 0.218 692 G HA3 -0.330 3.636 3.960 0.010 0.000 0.218 692 G C 1.467 176.370 174.900 0.005 0.000 1.146 692 G CA 1.235 46.304 45.100 -0.051 0.000 0.769 692 G HN 0.456 nan 8.290 nan 0.000 0.547 693 H N -0.081 118.998 119.070 0.016 0.000 2.290 693 H HA -0.037 4.524 4.556 0.009 0.000 0.298 693 H C 2.185 177.467 175.328 -0.077 0.000 1.087 693 H CA 1.856 57.931 56.048 0.044 0.000 1.291 693 H CB -0.387 29.196 29.762 -0.298 0.000 1.369 693 H HN 0.355 nan 8.280 nan 0.000 0.492 694 F N -0.589 119.294 119.950 -0.111 0.000 2.234 694 F HA -0.102 4.432 4.527 0.011 0.000 0.299 694 F C 2.360 177.695 175.800 -0.775 0.000 1.087 694 F CA 0.559 58.224 58.000 -0.558 0.000 1.340 694 F CB -0.241 38.350 39.000 -0.681 0.000 1.031 694 F HN 0.236 nan 8.300 nan 0.000 0.500 695 L N -0.090 120.948 121.223 -0.308 0.000 1.994 695 L HA -0.230 4.116 4.340 0.010 0.000 0.208 695 L C 2.257 178.939 176.870 -0.314 0.000 1.071 695 L CA 1.675 56.343 54.840 -0.286 0.000 0.745 695 L CB -1.165 40.677 42.059 -0.361 0.000 0.892 695 L HN 0.190 nan 8.230 nan 0.000 0.431 696 F N -0.855 118.751 119.950 -0.573 0.000 2.063 696 F HA -0.318 4.215 4.527 0.010 0.000 0.298 696 F C 1.934 177.388 175.800 -0.577 0.000 1.109 696 F CA 2.233 59.820 58.000 -0.688 0.000 1.212 696 F CB -0.724 37.578 39.000 -1.162 0.000 0.973 696 F HN 0.158 nan 8.300 nan 0.000 0.480 697 W N -0.382 120.730 121.300 -0.314 0.000 2.418 697 W HA -0.093 4.572 4.660 0.009 0.000 0.292 697 W C 2.519 178.986 176.519 -0.087 0.000 1.213 697 W CA 1.132 58.325 57.345 -0.253 0.000 1.283 697 W CB -0.713 28.675 29.460 -0.121 0.000 1.119 697 W HN 0.027 nan 8.180 nan 0.000 0.542 698 F N -0.134 119.823 119.950 0.011 0.000 2.102 698 F HA -0.261 4.272 4.527 0.010 0.000 0.298 698 F C 2.195 177.803 175.800 -0.319 0.000 1.105 698 F CA 0.659 58.594 58.000 -0.109 0.000 1.239 698 F CB -0.839 38.108 39.000 -0.088 0.000 0.991 698 F HN -0.183 nan 8.300 nan 0.000 0.474 699 L N 0.028 121.124 121.223 -0.211 0.000 1.976 699 L HA -0.235 4.111 4.340 0.010 0.000 0.209 699 L C 2.608 179.225 176.870 -0.422 0.000 1.071 699 L CA 1.347 55.926 54.840 -0.433 0.000 0.746 699 L CB -0.677 41.185 42.059 -0.329 0.000 0.890 699 L HN 0.048 nan 8.230 nan 0.000 0.432 700 R N -0.280 119.911 120.500 -0.514 0.000 2.117 700 R HA -0.230 4.116 4.340 0.010 0.000 0.243 700 R C 2.540 178.708 176.300 -0.220 0.000 1.143 700 R CA 1.816 57.618 56.100 -0.496 0.000 0.968 700 R CB -0.295 29.436 30.300 -0.948 0.000 0.863 700 R HN 0.278 nan 8.270 nan 0.000 0.444 701 S N 0.074 115.707 115.700 -0.111 0.000 2.370 701 S HA -0.151 4.325 4.470 0.010 0.000 0.226 701 S C 1.617 176.166 174.600 -0.084 0.000 1.033 701 S CA 1.433 59.621 58.200 -0.020 0.000 1.011 701 S CB -0.123 63.099 63.200 0.037 0.000 0.852 701 S HN 0.413 nan 8.310 nan 0.000 0.457 702 E N 0.695 120.777 120.200 -0.197 0.000 2.112 702 E HA 0.054 4.410 4.350 0.010 0.000 0.190 702 E C 2.083 178.665 176.600 -0.031 0.000 0.979 702 E CA 0.716 57.015 56.400 -0.168 0.000 0.814 702 E CB -0.380 29.036 29.700 -0.474 0.000 0.762 702 E HN 0.615 nan 8.360 nan 0.000 0.460 703 I N 1.094 121.620 120.570 -0.072 0.000 2.454 703 I HA -0.218 3.958 4.170 0.010 0.000 0.254 703 I C 2.177 178.296 176.117 0.003 0.000 1.156 703 I CA 1.053 62.339 61.300 -0.024 0.000 1.433 703 I CB -0.121 37.837 38.000 -0.070 0.000 1.082 703 I HN -0.025 nan 8.210 nan 0.000 0.432 704 A N -0.001 122.822 122.820 0.005 0.000 2.195 704 A HA -0.006 4.320 4.320 0.010 0.000 0.210 704 A C 1.720 179.338 177.584 0.058 0.000 1.165 704 A CA 0.323 52.385 52.037 0.042 0.000 0.806 704 A CB -0.033 18.994 19.000 0.045 0.000 0.847 704 A HN 0.583 nan 8.150 nan 0.000 0.482 705 Q N -1.449 118.380 119.800 0.048 0.000 2.064 705 Q HA 0.308 4.654 4.340 0.010 0.000 0.213 705 Q C -0.132 175.910 176.000 0.071 0.000 0.779 705 Q CA 0.193 56.030 55.803 0.057 0.000 1.032 705 Q CB 0.150 28.910 28.738 0.037 0.000 1.203 705 Q HN 0.240 nan 8.270 nan 0.000 0.457 706 S N 0.694 116.447 115.700 0.088 0.000 2.653 706 S HA 0.381 4.857 4.470 0.010 0.000 0.272 706 S C 0.340 175.014 174.600 0.123 0.000 1.221 706 S CA -0.568 57.709 58.200 0.127 0.000 1.149 706 S CB 0.764 64.070 63.200 0.176 0.000 1.029 706 S HN 0.342 nan 8.310 nan 0.000 0.481 707 R N 1.819 122.403 120.500 0.140 0.000 2.120 707 R HA -0.063 4.283 4.340 0.010 0.000 0.234 707 R C 1.206 177.512 176.300 0.010 0.000 1.123 707 R CA 1.634 57.815 56.100 0.135 0.000 0.975 707 R CB -0.345 30.130 30.300 0.292 0.000 0.866 707 R HN 0.692 nan 8.270 nan 0.000 0.446 708 H N -1.618 117.246 119.070 -0.343 0.000 2.457 708 H HA -0.138 4.424 4.556 0.010 0.000 0.297 708 H C 0.578 175.492 175.328 -0.691 0.000 1.092 708 H CA 1.530 57.145 56.048 -0.722 0.000 1.309 708 H CB 0.083 29.326 29.762 -0.866 0.000 1.382 708 H HN 0.303 nan 8.280 nan 0.000 0.535 709 Y N -0.901 119.382 120.300 -0.028 0.000 2.666 709 Y HA 0.030 4.586 4.550 0.010 0.000 0.260 709 Y C 1.907 177.731 175.900 -0.126 0.000 1.089 709 Y CA -0.281 57.737 58.100 -0.136 0.000 1.246 709 Y CB 0.468 38.796 38.460 -0.220 0.000 1.353 709 Y HN 0.182 nan 8.280 nan 0.000 0.558 710 Q N 0.534 120.346 119.800 0.018 0.000 2.135 710 Q HA -0.261 4.085 4.340 0.010 0.000 0.204 710 Q C 1.238 177.028 176.000 -0.350 0.000 0.981 710 Q CA 2.091 57.823 55.803 -0.118 0.000 0.856 710 Q CB -0.319 28.268 28.738 -0.252 0.000 0.902 710 Q HN 0.531 nan 8.270 nan 0.000 0.425 711 Q N 0.666 120.224 119.800 -0.403 0.000 2.050 711 Q HA -0.168 4.178 4.340 0.010 0.000 0.202 711 Q C 2.268 178.103 176.000 -0.275 0.000 0.980 711 Q CA 1.779 57.344 55.803 -0.396 0.000 0.840 711 Q CB -0.187 28.392 28.738 -0.264 0.000 0.898 711 Q HN 0.439 nan 8.270 nan 0.000 0.424 712 R N 0.344 120.686 120.500 -0.264 0.000 2.070 712 R HA -0.150 4.196 4.340 0.010 0.000 0.233 712 R C 2.037 178.262 176.300 -0.125 0.000 1.137 712 R CA 1.567 57.528 56.100 -0.230 0.000 0.945 712 R CB -0.399 29.838 30.300 -0.104 0.000 0.845 712 R HN 0.213 nan 8.270 nan 0.000 0.430 713 F N 0.750 120.672 119.950 -0.046 0.000 2.161 713 F HA -0.192 4.341 4.527 0.010 0.000 0.300 713 F C 2.635 178.384 175.800 -0.085 0.000 1.089 713 F CA 0.798 58.760 58.000 -0.063 0.000 1.282 713 F CB -0.212 38.741 39.000 -0.078 0.000 1.010 713 F HN 0.290 nan 8.300 nan 0.000 0.485 714 A N -0.300 122.556 122.820 0.059 0.000 1.930 714 A HA -0.104 4.222 4.320 0.010 0.000 0.217 714 A C 2.259 179.869 177.584 0.043 0.000 1.175 714 A CA 1.454 53.508 52.037 0.027 0.000 0.627 714 A CB -1.078 17.936 19.000 0.024 0.000 0.815 714 A HN 0.172 nan 8.150 nan 0.000 0.443 715 V N 0.286 120.212 119.914 0.020 0.000 2.343 715 V HA -0.272 3.854 4.120 0.010 0.000 0.247 715 V C 2.387 178.511 176.094 0.050 0.000 1.051 715 V CA 2.092 64.405 62.300 0.021 0.000 1.036 715 V CB -0.619 31.191 31.823 -0.022 0.000 0.654 715 V HN 0.588 nan 8.190 nan 0.000 0.451 716 I N -0.738 119.876 120.570 0.074 0.000 2.315 716 I HA -0.203 3.973 4.170 0.010 0.000 0.248 716 I C 2.312 178.494 176.117 0.108 0.000 1.117 716 I CA 1.143 62.505 61.300 0.103 0.000 1.404 716 I CB -0.299 37.788 38.000 0.145 0.000 1.071 716 I HN 0.304 nan 8.210 nan 0.000 0.419 717 L N 0.895 122.165 121.223 0.079 0.000 2.093 717 L HA -0.176 4.170 4.340 0.010 0.000 0.208 717 L C 2.416 179.350 176.870 0.107 0.000 1.085 717 L CA 1.778 56.658 54.840 0.066 0.000 0.755 717 L CB -0.636 41.390 42.059 -0.056 0.000 0.904 717 L HN 0.242 nan 8.230 nan 0.000 0.435 718 E N -0.356 119.882 120.200 0.063 0.000 2.047 718 E HA -0.240 4.116 4.350 0.010 0.000 0.191 718 E C 2.093 178.728 176.600 0.057 0.000 0.987 718 E CA 1.138 57.560 56.400 0.038 0.000 0.799 718 E CB -0.165 29.545 29.700 0.017 0.000 0.752 718 E HN 0.574 nan 8.360 nan 0.000 0.449 719 A N 0.560 123.425 122.820 0.075 0.000 1.917 719 A HA -0.238 4.088 4.320 0.010 0.000 0.219 719 A C 2.078 179.720 177.584 0.098 0.000 1.182 719 A CA 1.748 53.832 52.037 0.077 0.000 0.633 719 A CB -1.009 18.039 19.000 0.080 0.000 0.819 719 A HN 0.627 nan 8.150 nan 0.000 0.448 720 Y N 0.281 120.602 120.300 0.036 0.000 2.163 720 Y HA -0.071 4.485 4.550 0.010 0.000 0.288 720 Y C 1.835 177.778 175.900 0.072 0.000 1.136 720 Y CA 1.753 59.882 58.100 0.048 0.000 1.147 720 Y CB -0.356 38.128 38.460 0.040 0.000 0.987 720 Y HN 0.186 nan 8.280 nan 0.000 0.509 721 L N 0.152 121.310 121.223 -0.108 0.000 2.362 721 L HA -0.129 4.217 4.340 0.010 0.000 0.219 721 L C 2.086 178.909 176.870 -0.077 0.000 1.134 721 L CA 1.062 55.811 54.840 -0.151 0.000 0.807 721 L CB -0.353 41.704 42.059 -0.004 0.000 0.927 721 L HN 0.116 nan 8.230 nan 0.000 0.447 722 R N -0.559 119.924 120.500 -0.028 0.000 2.310 722 R HA 0.075 4.421 4.340 0.010 0.000 0.202 722 R C 1.498 177.790 176.300 -0.012 0.000 0.933 722 R CA 0.567 56.703 56.100 0.060 0.000 1.054 722 R CB 0.200 30.556 30.300 0.093 0.000 0.985 722 R HN 0.345 nan 8.270 nan 0.000 0.489 723 G N -0.681 108.052 108.800 -0.112 0.000 3.040 723 G HA2 -0.105 3.861 3.960 0.010 0.000 0.214 723 G HA3 -0.105 3.861 3.960 0.010 0.000 0.214 723 G C 1.220 176.023 174.900 -0.160 0.000 1.093 723 G CA -0.053 44.976 45.100 -0.119 0.000 0.931 723 G HN 0.409 nan 8.290 nan 0.000 0.632 724 C N 0.102 119.232 119.300 -0.284 0.000 2.432 724 C HA 0.519 4.985 4.460 0.010 0.000 0.282 724 C C 1.582 176.603 174.990 0.050 0.000 1.388 724 C CA 0.042 58.962 59.018 -0.164 0.000 1.777 724 C CB -1.233 26.252 27.740 -0.426 0.000 1.882 724 C HN 1.485 nan 8.230 nan 0.000 0.520 725 G N -0.484 108.318 108.800 0.003 0.000 2.663 725 G HA2 -0.006 3.960 3.960 0.010 0.000 0.686 725 G HA3 -0.006 3.960 3.960 0.010 0.000 0.686 725 G C 0.107 175.024 174.900 0.029 0.000 1.246 725 G CA -0.151 44.972 45.100 0.038 0.000 0.795 725 G HN 0.398 nan 8.290 nan 0.000 0.627 726 T N 1.109 115.676 114.554 0.021 0.000 2.665 726 T HA -0.038 4.318 4.350 0.010 0.000 0.268 726 T C 2.947 177.658 174.700 0.018 0.000 1.035 726 T CA 3.213 65.329 62.100 0.026 0.000 1.151 726 T CB -0.557 68.313 68.868 0.004 0.000 0.862 726 T HN 1.765 nan 8.240 nan 0.000 0.438 727 A N 1.476 124.287 122.820 -0.015 0.000 1.908 727 A HA -0.122 4.204 4.320 0.010 0.000 0.218 727 A C 2.397 179.927 177.584 -0.089 0.000 1.181 727 A CA 1.829 53.838 52.037 -0.047 0.000 0.627 727 A CB -0.737 18.222 19.000 -0.068 0.000 0.818 727 A HN 0.480 nan 8.150 nan 0.000 0.445 728 M N -0.882 118.631 119.600 -0.145 0.000 2.099 728 M HA -0.080 4.406 4.480 0.010 0.000 0.262 728 M C 2.196 178.309 176.300 -0.311 0.000 1.067 728 M CA 1.270 56.356 55.300 -0.358 0.000 1.124 728 M CB -0.606 31.811 32.600 -0.305 0.000 1.353 728 M HN 0.380 nan 8.290 nan 0.000 0.410 729 L N -0.709 120.501 121.223 -0.021 0.000 1.997 729 L HA -0.317 4.029 4.340 0.010 0.000 0.216 729 L C 2.619 179.521 176.870 0.055 0.000 1.074 729 L CA 1.984 56.882 54.840 0.097 0.000 0.763 729 L CB -0.992 41.142 42.059 0.124 0.000 0.890 729 L HN 0.377 nan 8.230 nan 0.000 0.434 730 H N -0.240 118.804 119.070 -0.043 0.000 2.321 730 H HA -0.181 4.380 4.556 0.008 0.000 0.300 730 H C 1.932 177.223 175.328 -0.063 0.000 1.087 730 H CA 2.034 58.062 56.048 -0.034 0.000 1.319 730 H CB 0.043 29.785 29.762 -0.035 0.000 1.379 730 H HN 0.244 nan 8.280 nan 0.000 0.501 731 D N -0.095 120.276 120.400 -0.047 0.000 2.123 731 D HA -0.173 4.473 4.640 0.010 0.000 0.196 731 D C 2.122 178.318 176.300 -0.175 0.000 0.992 731 D CA 1.172 55.089 54.000 -0.138 0.000 0.833 731 D CB -0.533 40.120 40.800 -0.246 0.000 0.954 731 D HN 0.435 nan 8.370 nan 0.000 0.455 732 F N 0.974 120.793 119.950 -0.218 0.000 2.102 732 F HA -0.189 4.344 4.527 0.010 0.000 0.298 732 F C 2.692 178.338 175.800 -0.256 0.000 1.105 732 F CA 1.040 58.792 58.000 -0.413 0.000 1.239 732 F CB -0.479 38.048 39.000 -0.788 0.000 0.991 732 F HN -0.088 nan 8.300 nan 0.000 0.474 733 T N -0.444 114.093 114.554 -0.029 0.000 2.684 733 T HA -0.265 4.091 4.350 0.010 0.000 0.267 733 T C 1.845 176.495 174.700 -0.084 0.000 1.036 733 T CA 1.509 63.569 62.100 -0.067 0.000 1.148 733 T CB -0.422 68.377 68.868 -0.115 0.000 0.863 733 T HN 0.317 nan 8.240 nan 0.000 0.436 734 Q N 0.622 120.320 119.800 -0.171 0.000 2.030 734 Q HA -0.193 4.153 4.340 0.010 0.000 0.204 734 Q C 2.636 178.650 176.000 0.023 0.000 0.986 734 Q CA 1.598 57.344 55.803 -0.095 0.000 0.843 734 Q CB -0.235 28.451 28.738 -0.087 0.000 0.904 734 Q HN 0.646 nan 8.270 nan 0.000 0.420 735 Q N -0.337 119.533 119.800 0.116 0.000 2.096 735 Q HA -0.156 4.190 4.340 0.010 0.000 0.204 735 Q C 2.191 178.322 176.000 0.219 0.000 0.982 735 Q CA 1.601 57.540 55.803 0.227 0.000 0.850 735 Q CB -0.080 28.944 28.738 0.477 0.000 0.901 735 Q HN 0.207 nan 8.270 nan 0.000 0.422 736 V N 0.955 121.005 119.914 0.226 0.000 2.358 736 V HA -0.264 3.862 4.120 0.010 0.000 0.246 736 V C 2.143 178.304 176.094 0.112 0.000 1.047 736 V CA 1.753 64.189 62.300 0.226 0.000 1.035 736 V CB -0.556 31.362 31.823 0.159 0.000 0.658 736 V HN 0.366 nan 8.190 nan 0.000 0.452 737 Q N -0.407 119.419 119.800 0.043 0.000 2.061 737 Q HA -0.193 4.153 4.340 0.010 0.000 0.204 737 Q C 2.376 178.355 176.000 -0.034 0.000 0.984 737 Q CA 2.070 57.875 55.803 0.004 0.000 0.846 737 Q CB -0.386 28.343 28.738 -0.015 0.000 0.902 737 Q HN 0.541 nan 8.270 nan 0.000 0.421 738 V N 1.093 120.946 119.914 -0.102 0.000 2.255 738 V HA -0.280 3.846 4.120 0.010 0.000 0.247 738 V C 2.146 178.125 176.094 -0.191 0.000 1.051 738 V CA 1.799 63.953 62.300 -0.244 0.000 1.018 738 V CB -0.509 30.915 31.823 -0.664 0.000 0.641 738 V HN 0.362 nan 8.190 nan 0.000 0.445 739 I N -0.316 120.209 120.570 -0.075 0.000 2.394 739 I HA -0.207 3.969 4.170 0.010 0.000 0.251 739 I C 2.480 178.653 176.117 0.094 0.000 1.136 739 I CA 1.413 62.772 61.300 0.100 0.000 1.425 739 I CB -0.466 37.709 38.000 0.292 0.000 1.079 739 I HN 0.382 nan 8.210 nan 0.000 0.425 740 E N 0.596 120.841 120.200 0.075 0.000 2.153 740 E HA -0.200 4.156 4.350 0.010 0.000 0.194 740 E C 2.259 178.862 176.600 0.004 0.000 0.988 740 E CA 1.222 57.660 56.400 0.063 0.000 0.811 740 E CB -0.044 29.691 29.700 0.058 0.000 0.746 740 E HN 0.523 nan 8.360 nan 0.000 0.466 741 M N 0.006 119.581 119.600 -0.043 0.000 2.216 741 M HA -0.062 4.424 4.480 0.010 0.000 0.264 741 M C 2.212 178.433 176.300 -0.132 0.000 1.080 741 M CA 1.019 56.279 55.300 -0.067 0.000 1.153 741 M CB -0.050 32.512 32.600 -0.062 0.000 1.356 741 M HN 0.086 nan 8.290 nan 0.000 0.432 742 L N -0.033 121.041 121.223 -0.248 0.000 2.131 742 L HA -0.216 4.130 4.340 0.010 0.000 0.210 742 L C 2.518 179.085 176.870 -0.505 0.000 1.092 742 L CA 1.246 55.792 54.840 -0.489 0.000 0.759 742 L CB -0.597 40.917 42.059 -0.908 0.000 0.903 742 L HN 0.400 nan 8.230 nan 0.000 0.435 743 Q N 0.018 119.659 119.800 -0.264 0.000 2.050 743 Q HA -0.222 4.124 4.340 0.010 0.000 0.202 743 Q C 2.236 178.239 176.000 0.005 0.000 0.980 743 Q CA 1.482 57.300 55.803 0.024 0.000 0.840 743 Q CB -0.053 28.797 28.738 0.186 0.000 0.898 743 Q HN 0.456 nan 8.270 nan 0.000 0.424 744 K N 0.083 120.471 120.400 -0.020 0.000 2.032 744 K HA -0.139 4.187 4.320 0.010 0.000 0.209 744 K C 2.136 178.717 176.600 -0.031 0.000 1.048 744 K CA 1.378 57.655 56.287 -0.017 0.000 0.927 744 K CB -0.255 32.236 32.500 -0.015 0.000 0.712 744 K HN 0.019 nan 8.250 nan 0.000 0.441 745 V N 1.600 121.480 119.914 -0.057 0.000 2.332 745 V HA -0.287 3.839 4.120 0.010 0.000 0.248 745 V C 2.177 178.254 176.094 -0.029 0.000 1.055 745 V CA 2.231 64.501 62.300 -0.049 0.000 1.038 745 V CB -0.697 31.083 31.823 -0.072 0.000 0.651 745 V HN 0.454 nan 8.190 nan 0.000 0.450 746 T N 0.554 115.093 114.554 -0.026 0.000 2.684 746 T HA -0.184 4.172 4.350 0.010 0.000 0.267 746 T C 1.841 176.551 174.700 0.017 0.000 1.036 746 T CA 1.824 63.946 62.100 0.036 0.000 1.148 746 T CB -0.347 68.601 68.868 0.133 0.000 0.863 746 T HN 0.333 nan 8.240 nan 0.000 0.436 747 L N 0.957 122.168 121.223 -0.020 0.000 1.994 747 L HA -0.134 4.212 4.340 0.010 0.000 0.208 747 L C 2.540 179.382 176.870 -0.046 0.000 1.071 747 L CA 1.395 56.187 54.840 -0.079 0.000 0.745 747 L CB -0.812 41.186 42.059 -0.102 0.000 0.892 747 L HN 0.153 nan 8.230 nan 0.000 0.431 748 D N 0.225 120.608 120.400 -0.028 0.000 2.149 748 D HA -0.176 4.470 4.640 0.010 0.000 0.198 748 D C 2.176 178.470 176.300 -0.009 0.000 0.990 748 D CA 1.115 55.104 54.000 -0.018 0.000 0.839 748 D CB -0.044 40.748 40.800 -0.014 0.000 0.948 748 D HN 0.189 nan 8.370 nan 0.000 0.460 749 I N 0.620 121.188 120.570 -0.002 0.000 2.353 749 I HA -0.150 4.026 4.170 0.010 0.000 0.248 749 I C 2.245 178.370 176.117 0.013 0.000 1.119 749 I CA 0.817 62.122 61.300 0.009 0.000 1.417 749 I CB -0.729 37.284 38.000 0.021 0.000 1.078 749 I HN 0.032 nan 8.210 nan 0.000 0.421 750 K N 1.022 121.428 120.400 0.010 0.000 2.057 750 K HA -0.148 4.178 4.320 0.010 0.000 0.207 750 K C 2.213 178.817 176.600 0.007 0.000 1.049 750 K CA 1.771 58.067 56.287 0.015 0.000 0.931 750 K CB 0.124 32.627 32.500 0.005 0.000 0.714 750 K HN 0.141 nan 8.250 nan 0.000 0.440 751 S N 1.054 116.751 115.700 -0.006 0.000 2.400 751 S HA -0.089 4.387 4.470 0.010 0.000 0.232 751 S C 1.030 175.632 174.600 0.003 0.000 1.025 751 S CA 0.477 58.675 58.200 -0.003 0.000 0.993 751 S CB -0.132 63.062 63.200 -0.009 0.000 0.808 751 S HN 0.172 nan 8.310 nan 0.000 0.478 759 V N 3.230 123.137 119.914 -0.011 0.000 2.293 759 V HA 0.287 4.413 4.120 0.010 0.000 0.275 759 V C 0.833 176.922 176.094 -0.008 0.000 1.021 759 V CA -0.610 61.687 62.300 -0.006 0.000 0.815 759 V CB 0.770 32.589 31.823 -0.007 0.000 1.025 759 V HN 0.569 nan 8.190 nan 0.000 0.448 760 S N 3.231 118.928 115.700 -0.005 0.000 2.584 760 S HA 0.077 4.553 4.470 0.010 0.000 0.270 760 S C 1.660 176.257 174.600 -0.005 0.000 1.346 760 S CA 0.115 58.312 58.200 -0.006 0.000 1.018 760 S CB 1.147 64.344 63.200 -0.004 0.000 0.899 760 S HN 1.030 nan 8.310 nan 0.000 0.542 761 S N 0.787 116.483 115.700 -0.006 0.000 2.387 761 S HA -0.323 4.153 4.470 0.010 0.000 0.230 761 S C 1.840 176.438 174.600 -0.004 0.000 1.035 761 S CA 1.481 59.677 58.200 -0.006 0.000 1.014 761 S CB -0.896 62.300 63.200 -0.006 0.000 0.836 761 S HN 0.858 nan 8.310 nan 0.000 0.466 762 Q N 0.499 120.298 119.800 -0.003 0.000 2.050 762 Q HA -0.098 4.248 4.340 0.010 0.000 0.202 762 Q C 2.290 178.290 176.000 0.000 0.000 0.980 762 Q CA 1.914 57.716 55.803 -0.001 0.000 0.840 762 Q CB -0.343 28.395 28.738 -0.001 0.000 0.898 762 Q HN 0.534 nan 8.270 nan 0.000 0.424 763 V N 0.147 120.062 119.914 0.001 0.000 2.548 763 V HA -0.163 3.963 4.120 0.010 0.000 0.249 763 V C 2.056 178.153 176.094 0.005 0.000 1.055 763 V CA 0.985 63.288 62.300 0.004 0.000 1.065 763 V CB -0.358 31.469 31.823 0.007 0.000 0.681 763 V HN 0.415 nan 8.190 nan 0.000 0.462 764 I N 0.439 121.010 120.570 0.002 0.000 2.202 764 I HA -0.149 4.027 4.170 0.010 0.000 0.242 764 I C 2.771 178.888 176.117 0.001 0.000 1.091 764 I CA 2.218 63.519 61.300 0.001 0.000 1.368 764 I CB -1.170 36.826 38.000 -0.006 0.000 1.058 764 I HN 0.489 nan 8.210 nan 0.000 0.410 765 S N 0.028 115.728 115.700 -0.001 0.000 2.382 765 S HA -0.196 4.280 4.470 0.010 0.000 0.228 765 S C 1.902 176.502 174.600 0.000 0.000 1.027 765 S CA 1.142 59.342 58.200 -0.001 0.000 0.991 765 S CB -0.008 63.191 63.200 -0.001 0.000 0.823 765 S HN 0.388 nan 8.310 nan 0.000 0.469 766 Q N 0.561 120.362 119.800 0.001 0.000 2.084 766 Q HA -0.082 4.264 4.340 0.010 0.000 0.202 766 Q C 2.250 178.251 176.000 0.001 0.000 0.978 766 Q CA 1.195 56.998 55.803 0.001 0.000 0.844 766 Q CB -0.904 27.835 28.738 0.001 0.000 0.898 766 Q HN 0.548 nan 8.270 nan 0.000 0.426 767 L N 1.487 122.712 121.223 0.004 0.000 1.970 767 L HA -0.214 4.132 4.340 0.010 0.000 0.212 767 L C 2.084 178.955 176.870 0.001 0.000 1.071 767 L CA 2.012 56.855 54.840 0.006 0.000 0.751 767 L CB -0.519 41.550 42.059 0.016 0.000 0.889 767 L HN 0.046 nan 8.230 nan 0.000 0.432 768 K N -1.004 119.397 120.400 0.001 0.000 2.063 768 K HA -0.266 4.060 4.320 0.010 0.000 0.208 768 K C 2.144 178.742 176.600 -0.004 0.000 1.048 768 K CA 1.677 57.963 56.287 -0.002 0.000 0.928 768 K CB -0.287 32.212 32.500 -0.001 0.000 0.713 768 K HN 0.395 nan 8.250 nan 0.000 0.442 769 Q N 1.835 121.634 119.800 -0.002 0.000 2.020 769 Q HA -0.160 4.186 4.340 0.010 0.000 0.202 769 Q C 1.586 177.584 176.000 -0.004 0.000 0.982 769 Q CA 1.860 57.662 55.803 -0.002 0.000 0.838 769 Q CB 0.001 28.738 28.738 -0.001 0.000 0.899 769 Q HN 0.159 nan 8.270 nan 0.000 0.423 770 K N -0.225 120.171 120.400 -0.006 0.000 2.063 770 K HA -0.108 4.218 4.320 0.010 0.000 0.208 770 K C 2.126 178.718 176.600 -0.012 0.000 1.048 770 K CA 1.530 57.811 56.287 -0.009 0.000 0.928 770 K CB -0.253 32.240 32.500 -0.012 0.000 0.713 770 K HN 0.262 nan 8.250 nan 0.000 0.442 771 L N 0.875 122.090 121.223 -0.015 0.000 2.141 771 L HA -0.168 4.178 4.340 0.010 0.000 0.209 771 L C 2.159 179.023 176.870 -0.011 0.000 1.094 771 L CA 1.153 55.981 54.840 -0.020 0.000 0.763 771 L CB -0.363 41.677 42.059 -0.031 0.000 0.908 771 L HN 0.238 nan 8.230 nan 0.000 0.437 772 E N 0.109 120.305 120.200 -0.006 0.000 2.051 772 E HA -0.184 4.172 4.350 0.010 0.000 0.192 772 E C 1.942 178.545 176.600 0.004 0.000 0.991 772 E CA 1.076 57.476 56.400 -0.000 0.000 0.799 772 E CB -0.090 29.610 29.700 0.000 0.000 0.748 772 E HN 0.490 nan 8.360 nan 0.000 0.449 773 N N 1.030 119.732 118.700 0.002 0.000 2.043 773 N HA -0.171 4.574 4.740 0.010 0.000 0.193 773 N C 2.119 177.633 175.510 0.008 0.000 1.037 773 N CA 0.978 54.031 53.050 0.004 0.000 0.851 773 N CB -0.374 38.114 38.487 0.001 0.000 1.027 773 N HN 0.130 nan 8.380 nan 0.000 0.422 774 L N 1.334 122.560 121.223 0.005 0.000 1.990 774 L HA -0.239 4.107 4.340 0.010 0.000 0.213 774 L C 2.701 179.586 176.870 0.025 0.000 1.072 774 L CA 1.456 56.301 54.840 0.010 0.000 0.755 774 L CB -0.496 41.565 42.059 0.002 0.000 0.889 774 L HN 0.265 nan 8.230 nan 0.000 0.432 775 Q N -0.111 119.706 119.800 0.027 0.000 2.226 775 Q HA -0.126 4.220 4.340 0.010 0.000 0.204 775 Q C 0.260 176.281 176.000 0.036 0.000 0.975 775 Q CA 0.740 56.568 55.803 0.041 0.000 0.866 775 Q CB 0.195 28.953 28.738 0.033 0.000 0.915 775 Q HN 0.411 nan 8.270 nan 0.000 0.440 776 N N 1.131 119.846 118.700 0.025 0.000 2.555 776 N HA 0.055 4.801 4.740 0.010 0.000 0.244 776 N C -0.261 175.262 175.510 0.022 0.000 1.114 776 N CA 0.099 53.162 53.050 0.022 0.000 0.963 776 N CB 1.133 39.629 38.487 0.016 0.000 1.276 776 N HN 0.231 nan 8.380 nan 0.000 0.510 777 L N 1.990 123.229 121.223 0.027 0.000 4.089 777 L HA -0.264 4.082 4.340 0.010 0.000 0.408 777 L C 0.428 177.313 176.870 0.025 0.000 1.184 777 L CA 0.869 55.725 54.840 0.026 0.000 0.947 777 L CB -1.375 40.697 42.059 0.020 0.000 2.066 777 L HN 0.663 nan 8.230 nan 0.000 0.851 778 N N -1.528 117.188 118.700 0.027 0.000 2.372 778 N HA 0.135 4.881 4.740 0.010 0.000 0.242 778 N C 0.172 175.697 175.510 0.026 0.000 1.124 778 N CA 0.364 53.427 53.050 0.022 0.000 0.824 778 N CB 0.571 39.067 38.487 0.015 0.000 1.468 778 N HN 0.249 nan 8.380 nan 0.000 0.470 779 L N 2.864 124.110 121.223 0.038 0.000 2.307 779 L HA 0.669 5.015 4.340 0.010 0.000 0.284 779 L C -2.572 174.341 176.870 0.072 0.000 1.023 779 L CA -1.471 53.398 54.840 0.048 0.000 0.810 779 L CB 0.966 43.064 42.059 0.065 0.000 1.231 779 L HN -0.123 nan 8.230 nan 0.000 0.423 780 P HA -0.013 nan 4.420 nan 0.000 0.264 780 P C -0.361 177.019 177.300 0.134 0.000 1.173 780 P CA 0.345 63.501 63.100 0.093 0.000 0.761 780 P CB 0.358 32.111 31.700 0.087 0.000 0.794 781 E N 0.045 120.314 120.200 0.115 0.000 2.463 781 E HA 0.120 4.476 4.350 0.010 0.000 0.191 781 E C 0.062 176.728 176.600 0.110 0.000 1.083 781 E CA 0.239 56.705 56.400 0.110 0.000 0.872 781 E CB 0.174 29.920 29.700 0.077 0.000 0.966 781 E HN 0.270 nan 8.360 nan 0.000 0.491 782 S N 0.277 116.061 115.700 0.141 0.000 2.658 782 S HA 0.372 4.848 4.470 0.010 0.000 0.312 782 S C -1.796 172.893 174.600 0.149 0.000 1.006 782 S CA -0.951 57.298 58.200 0.083 0.000 0.855 782 S CB 0.215 63.430 63.200 0.024 0.000 1.053 782 S HN 0.272 nan 8.310 nan 0.000 0.455 783 F N 2.277 122.188 119.950 -0.065 0.000 2.608 783 F HA 0.731 5.262 4.527 0.007 0.000 0.309 783 F C -0.612 175.112 175.800 -0.126 0.000 1.103 783 F CA -1.106 56.847 58.000 -0.079 0.000 0.954 783 F CB 1.092 40.051 39.000 -0.068 0.000 1.267 783 F HN 0.533 nan 8.300 nan 0.000 0.444 784 R N 1.916 122.391 120.500 -0.040 0.000 2.543 784 R HA 0.473 4.819 4.340 0.010 0.000 0.277 784 R C -0.899 175.325 176.300 -0.126 0.000 1.074 784 R CA -0.788 55.205 56.100 -0.178 0.000 1.076 784 R CB 1.387 31.606 30.300 -0.133 0.000 0.993 784 R HN 0.616 nan 8.270 nan 0.000 0.459 785 V N 6.255 125.965 119.914 -0.340 0.000 2.415 785 V HA 0.034 4.160 4.120 0.010 0.000 0.267 785 V C -1.477 174.416 176.094 -0.335 0.000 1.042 785 V CA -1.087 60.980 62.300 -0.389 0.000 1.000 785 V CB 1.130 32.591 31.823 -0.604 0.000 1.015 785 V HN 0.681 nan 8.190 nan 0.000 0.478 786 P HA -0.151 nan 4.420 nan 0.000 0.219 786 P C 0.943 178.250 177.300 0.012 0.000 1.146 786 P CA 1.441 64.443 63.100 -0.163 0.000 0.808 786 P CB 0.000 31.291 31.700 -0.682 0.000 0.779 787 Y N -3.241 117.097 120.300 0.064 0.000 2.449 787 Y HA 0.435 4.991 4.550 0.010 0.000 0.254 787 Y C 0.259 176.306 175.900 0.245 0.000 1.140 787 Y CA -0.429 57.813 58.100 0.236 0.000 1.272 787 Y CB -0.387 38.167 38.460 0.157 0.000 1.114 787 Y HN -0.221 nan 8.280 nan 0.000 0.525 788 D N 0.897 121.209 120.400 -0.147 0.000 2.621 788 D HA 0.293 4.939 4.640 0.010 0.000 0.274 788 D C -2.312 173.836 176.300 -0.253 0.000 1.215 788 D CA -2.462 51.502 54.000 -0.059 0.000 0.810 788 D CB 1.153 41.938 40.800 -0.024 0.000 1.248 788 D HN -0.081 nan 8.370 nan 0.000 0.517 789 P HA -0.103 nan 4.420 nan 0.000 0.216 789 P C 1.514 178.566 177.300 -0.414 0.000 1.157 789 P CA 1.442 64.137 63.100 -0.675 0.000 0.880 789 P CB 0.227 31.302 31.700 -1.041 0.000 0.791 790 G N -0.966 107.671 108.800 -0.272 0.000 2.501 790 G HA2 -0.159 3.807 3.960 0.010 0.000 0.220 790 G HA3 -0.159 3.807 3.960 0.010 0.000 0.220 790 G C 0.540 175.310 174.900 -0.216 0.000 1.114 790 G CA 0.123 45.103 45.100 -0.200 0.000 0.757 790 G HN 0.245 nan 8.290 nan 0.000 0.559 791 L N 0.484 121.573 121.223 -0.223 0.000 2.312 791 L HA 0.401 4.747 4.340 0.010 0.000 0.281 791 L C -0.344 176.345 176.870 -0.301 0.000 1.070 791 L CA -0.453 54.250 54.840 -0.229 0.000 0.805 791 L CB 1.450 43.392 42.059 -0.195 0.000 1.174 791 L HN 0.000 nan 8.230 nan 0.000 0.434 792 K N 3.652 123.877 120.400 -0.292 0.000 2.358 792 K HA 0.537 4.863 4.320 0.010 0.000 0.260 792 K C -0.672 175.671 176.600 -0.428 0.000 0.956 792 K CA -0.547 55.524 56.287 -0.360 0.000 0.834 792 K CB 2.037 34.389 32.500 -0.247 0.000 1.102 792 K HN 0.612 nan 8.250 nan 0.000 0.431 793 A N 2.466 124.824 122.820 -0.769 0.000 2.366 793 A HA 0.550 4.876 4.320 0.010 0.000 0.272 793 A C 0.619 177.949 177.584 -0.424 0.000 1.135 793 A CA -0.080 51.501 52.037 -0.761 0.000 0.804 793 A CB 0.740 18.820 19.000 -1.533 0.000 1.064 793 A HN 0.885 nan 8.150 nan 0.000 0.499 794 G N 0.886 109.635 108.800 -0.085 0.000 3.226 794 G HA2 0.517 4.483 3.960 0.010 0.000 0.190 794 G HA3 0.517 4.483 3.960 0.010 0.000 0.190 794 G C 0.513 175.555 174.900 0.236 0.000 1.988 794 G CA 0.407 45.540 45.100 0.056 0.000 0.859 794 G HN 1.366 nan 8.290 nan 0.000 0.631 795 A N -0.708 122.239 122.820 0.212 0.000 2.303 795 A HA 0.688 5.014 4.320 0.010 0.000 0.317 795 A C -0.047 177.640 177.584 0.173 0.000 1.149 795 A CA -0.543 51.618 52.037 0.206 0.000 0.822 795 A CB 0.563 19.627 19.000 0.107 0.000 1.131 795 A HN 0.462 nan 8.150 nan 0.000 0.493 796 L N 1.031 122.277 121.223 0.039 0.000 2.483 796 L HA 0.247 4.593 4.340 0.010 0.000 0.276 796 L C 0.935 177.732 176.870 -0.122 0.000 1.213 796 L CA -0.014 54.670 54.840 -0.260 0.000 0.843 796 L CB 0.812 42.718 42.059 -0.255 0.000 1.107 796 L HN 0.783 nan 8.230 nan 0.000 0.487 797 A N 4.003 126.737 122.820 -0.143 0.000 2.736 797 A HA 0.396 4.722 4.320 0.010 0.000 0.335 797 A C 0.781 178.338 177.584 -0.044 0.000 1.446 797 A CA -0.523 51.485 52.037 -0.049 0.000 1.028 797 A CB -0.224 18.774 19.000 -0.004 0.000 1.154 797 A HN 0.709 nan 8.150 nan 0.000 0.507 798 I N 0.818 121.364 120.570 -0.040 0.000 2.530 798 I HA -0.206 3.970 4.170 0.010 0.000 0.257 798 I C 1.867 177.984 176.117 -0.000 0.000 1.179 798 I CA 1.305 62.589 61.300 -0.027 0.000 1.440 798 I CB -0.423 37.565 38.000 -0.020 0.000 1.087 798 I HN 0.552 nan 8.210 nan 0.000 0.440 799 E N 0.931 121.136 120.200 0.007 0.000 2.150 799 E HA -0.140 4.216 4.350 0.010 0.000 0.193 799 E C 1.965 178.582 176.600 0.029 0.000 0.985 799 E CA 1.075 57.484 56.400 0.015 0.000 0.814 799 E CB -0.192 29.518 29.700 0.016 0.000 0.752 799 E HN 0.457 nan 8.360 nan 0.000 0.466 800 K N -0.540 119.893 120.400 0.055 0.000 2.352 800 K HA 0.175 4.501 4.320 0.010 0.000 0.194 800 K C -0.023 176.684 176.600 0.178 0.000 1.038 800 K CA -0.070 56.283 56.287 0.111 0.000 1.023 800 K CB 0.406 33.007 32.500 0.167 0.000 0.840 800 K HN 0.058 nan 8.250 nan 0.000 0.519 801 C N 3.093 122.471 119.300 0.130 0.000 2.637 801 C HA 0.176 4.642 4.460 0.010 0.000 0.418 801 C C 0.270 175.334 174.990 0.123 0.000 1.319 801 C CA -0.435 58.684 59.018 0.169 0.000 1.949 801 C CB -0.941 26.829 27.740 0.049 0.000 2.639 801 C HN 0.450 nan 8.230 nan 0.000 0.594 802 K N 1.151 121.654 120.400 0.171 0.000 2.555 802 K HA 0.706 5.032 4.320 0.010 0.000 0.279 802 K C -1.854 174.813 176.600 0.112 0.000 0.986 802 K CA -0.812 55.514 56.287 0.064 0.000 0.880 802 K CB 0.681 33.138 32.500 -0.071 0.000 1.474 802 K HN 0.160 nan 8.250 nan 0.000 0.433 803 V N 3.072 123.023 119.914 0.061 0.000 2.385 803 V HA 0.254 4.380 4.120 0.010 0.000 0.269 803 V C 0.117 176.244 176.094 0.054 0.000 1.043 803 V CA -0.577 61.770 62.300 0.079 0.000 0.906 803 V CB 0.701 32.556 31.823 0.054 0.000 0.995 803 V HN 0.702 nan 8.190 nan 0.000 0.467 804 M N 3.557 123.215 119.600 0.096 0.000 2.248 804 M HA 0.273 4.759 4.480 0.010 0.000 0.337 804 M C 0.884 177.205 176.300 0.034 0.000 1.121 804 M CA 0.036 55.373 55.300 0.062 0.000 1.155 804 M CB 0.482 33.161 32.600 0.132 0.000 1.514 804 M HN 0.661 nan 8.290 nan 0.000 0.452 805 A N 2.423 125.245 122.820 0.003 0.000 3.033 805 A HA 0.276 4.602 4.320 0.010 0.000 0.250 805 A C 0.336 177.921 177.584 0.003 0.000 1.633 805 A CA -0.056 51.979 52.037 -0.003 0.000 1.290 805 A CB -0.497 18.490 19.000 -0.022 0.000 1.048 805 A HN 0.720 nan 8.150 nan 0.000 0.648 806 S N -0.671 115.041 115.700 0.021 0.000 2.664 806 S HA 0.407 4.883 4.470 0.010 0.000 0.304 806 S C 1.036 175.653 174.600 0.029 0.000 1.099 806 S CA -0.657 57.554 58.200 0.018 0.000 1.003 806 S CB 1.049 64.266 63.200 0.029 0.000 1.092 806 S HN 0.505 nan 8.310 nan 0.000 0.525 807 K N 0.964 121.380 120.400 0.026 0.000 2.211 807 K HA 0.045 4.371 4.320 0.010 0.000 0.203 807 K C 1.091 177.728 176.600 0.062 0.000 1.050 807 K CA 0.966 57.276 56.287 0.038 0.000 0.945 807 K CB -0.033 32.489 32.500 0.037 0.000 0.732 807 K HN 0.457 nan 8.250 nan 0.000 0.451 808 K N 0.725 121.171 120.400 0.076 0.000 2.387 808 K HA 0.066 4.392 4.320 0.010 0.000 0.198 808 K C -0.570 176.100 176.600 0.116 0.000 1.022 808 K CA -0.060 56.292 56.287 0.109 0.000 1.128 808 K CB 0.532 33.103 32.500 0.118 0.000 0.853 808 K HN -0.123 nan 8.250 nan 0.000 0.523 809 K N 0.792 121.246 120.400 0.090 0.000 4.040 809 K HA -0.132 4.194 4.320 0.010 0.000 0.279 809 K C -2.859 173.815 176.600 0.123 0.000 0.890 809 K CA 0.366 56.708 56.287 0.091 0.000 0.782 809 K CB -1.737 30.807 32.500 0.074 0.000 1.613 809 K HN 0.215 nan 8.250 nan 0.000 0.440 810 P HA 0.127 nan 4.420 nan 0.000 0.275 810 P C 0.454 177.874 177.300 0.200 0.000 1.227 810 P CA -0.386 62.819 63.100 0.174 0.000 0.781 810 P CB 0.627 32.422 31.700 0.158 0.000 0.906 811 L N 3.139 124.505 121.223 0.238 0.000 2.313 811 L HA 0.240 4.586 4.340 0.010 0.000 0.282 811 L C 0.395 177.449 176.870 0.308 0.000 1.092 811 L CA -0.335 54.652 54.840 0.245 0.000 0.831 811 L CB 0.403 42.589 42.059 0.211 0.000 1.159 811 L HN 0.449 nan 8.230 nan 0.000 0.442 812 W N 7.114 128.476 121.300 0.103 0.000 2.342 812 W HA 0.469 5.133 4.660 0.007 0.000 0.310 812 W C -1.747 174.824 176.519 0.087 0.000 1.128 812 W CA -0.647 56.758 57.345 0.101 0.000 1.322 812 W CB 0.751 30.250 29.460 0.066 0.000 1.251 812 W HN 0.384 nan 8.180 nan 0.000 0.439 813 L N 6.208 127.455 121.223 0.040 0.000 2.346 813 L HA 0.448 4.794 4.340 0.010 0.000 0.274 813 L C 0.113 176.939 176.870 -0.073 0.000 1.007 813 L CA -0.810 54.047 54.840 0.029 0.000 0.818 813 L CB 2.243 44.375 42.059 0.123 0.000 1.284 813 L HN 0.252 nan 8.230 nan 0.000 0.424 814 E N 2.412 122.514 120.200 -0.163 0.000 2.238 814 E HA 0.587 4.943 4.350 0.010 0.000 0.267 814 E C -1.500 174.903 176.600 -0.328 0.000 0.887 814 E CA -0.476 55.871 56.400 -0.089 0.000 0.769 814 E CB 2.955 32.681 29.700 0.043 0.000 1.187 814 E HN 0.214 nan 8.360 nan 0.000 0.416 815 F N 0.573 120.558 119.950 0.057 0.000 2.576 815 F HA 0.375 4.907 4.527 0.009 0.000 0.313 815 F C 0.532 176.342 175.800 0.017 0.000 1.078 815 F CA -0.984 57.044 58.000 0.046 0.000 0.921 815 F CB 1.675 40.696 39.000 0.035 0.000 1.232 815 F HN 0.027 nan 8.300 nan 0.000 0.459 816 K N 0.482 120.996 120.400 0.190 0.000 2.126 816 K HA 0.418 4.744 4.320 0.010 0.000 0.257 816 K C -0.736 175.905 176.600 0.069 0.000 1.007 816 K CA -0.638 55.710 56.287 0.102 0.000 0.928 816 K CB 1.219 33.761 32.500 0.071 0.000 1.013 816 K HN 0.640 nan 8.250 nan 0.000 0.473 817 C N 1.768 121.078 119.300 0.017 0.000 2.514 817 C HA 0.335 4.801 4.460 0.010 0.000 0.392 817 C C 1.660 176.624 174.990 -0.042 0.000 1.294 817 C CA -0.284 58.711 59.018 -0.039 0.000 1.957 817 C CB -0.627 27.084 27.740 -0.048 0.000 2.541 817 C HN 0.909 nan 8.230 nan 0.000 0.569 818 A N 3.448 126.223 122.820 -0.075 0.000 2.067 818 A HA 0.009 4.335 4.320 0.010 0.000 0.219 818 A C 1.058 178.608 177.584 -0.057 0.000 1.158 818 A CA 1.025 53.028 52.037 -0.057 0.000 0.661 818 A CB -0.336 18.618 19.000 -0.076 0.000 0.801 818 A HN 0.917 nan 8.150 nan 0.000 0.452 819 D N -0.229 120.125 120.400 -0.078 0.000 2.338 819 D HA 0.241 4.887 4.640 0.010 0.000 0.255 819 D C -1.770 174.493 176.300 -0.062 0.000 1.237 819 D CA -1.986 51.967 54.000 -0.080 0.000 0.883 819 D CB 1.186 41.919 40.800 -0.112 0.000 1.087 819 D HN 0.047 nan 8.370 nan 0.000 0.485 820 P HA -0.080 nan 4.420 nan 0.000 0.221 820 P C 1.139 178.414 177.300 -0.042 0.000 1.150 820 P CA 1.026 64.106 63.100 -0.033 0.000 0.800 820 P CB 0.035 31.723 31.700 -0.021 0.000 0.787 821 T N -3.346 111.171 114.554 -0.061 0.000 3.163 821 T HA 0.195 4.551 4.350 0.010 0.000 0.260 821 T C 0.876 175.510 174.700 -0.111 0.000 1.156 821 T CA -0.087 61.963 62.100 -0.082 0.000 1.072 821 T CB -0.922 67.885 68.868 -0.102 0.000 0.937 821 T HN 0.033 nan 8.240 nan 0.000 0.528 822 A N 1.526 124.292 122.820 -0.090 0.000 2.451 822 A HA 0.543 4.869 4.320 0.010 0.000 0.266 822 A C 1.097 178.637 177.584 -0.074 0.000 1.119 822 A CA -0.596 51.390 52.037 -0.086 0.000 0.786 822 A CB -0.158 18.803 19.000 -0.065 0.000 1.061 822 A HN 0.308 nan 8.150 nan 0.000 0.503 823 L N 2.940 124.105 121.223 -0.097 0.000 1.932 823 L HA -0.082 4.264 4.340 0.010 0.000 0.217 823 L C 2.194 179.032 176.870 -0.052 0.000 1.077 823 L CA 2.347 57.128 54.840 -0.098 0.000 0.765 823 L CB -1.265 40.691 42.059 -0.171 0.000 0.888 823 L HN 0.780 nan 8.230 nan 0.000 0.433 824 S N -0.617 115.061 115.700 -0.037 0.000 2.611 824 S HA -0.079 4.397 4.470 0.010 0.000 0.252 824 S C 0.850 175.449 174.600 -0.000 0.000 1.369 824 S CA 0.259 58.454 58.200 -0.010 0.000 0.975 824 S CB 0.112 63.318 63.200 0.009 0.000 0.937 824 S HN 0.443 nan 8.310 nan 0.000 0.584 825 N N 0.358 119.066 118.700 0.013 0.000 2.177 825 N HA 0.228 4.974 4.740 0.010 0.000 0.218 825 N C -0.806 174.725 175.510 0.034 0.000 1.182 825 N CA -0.154 52.908 53.050 0.020 0.000 0.882 825 N CB 0.421 38.920 38.487 0.020 0.000 1.052 825 N HN 0.565 nan 8.380 nan 0.000 0.519 826 E N 0.988 121.212 120.200 0.040 0.000 2.452 826 E HA -0.018 4.338 4.350 0.010 0.000 0.261 826 E C 0.452 177.089 176.600 0.060 0.000 0.987 826 E CA 0.385 56.818 56.400 0.056 0.000 0.926 826 E CB 0.502 30.238 29.700 0.060 0.000 0.934 826 E HN 0.274 nan 8.360 nan 0.000 0.452 827 T N 0.024 114.625 114.554 0.077 0.000 2.788 827 T HA 0.351 4.707 4.350 0.010 0.000 0.287 827 T C 0.363 175.120 174.700 0.095 0.000 1.007 827 T CA -0.636 61.518 62.100 0.090 0.000 1.005 827 T CB 0.487 69.416 68.868 0.102 0.000 1.012 827 T HN 0.279 nan 8.240 nan 0.000 0.530 828 I N 1.512 122.157 120.570 0.126 0.000 2.304 828 I HA 0.429 4.605 4.170 0.010 0.000 0.291 828 I C 0.973 177.197 176.117 0.177 0.000 1.018 828 I CA -0.606 60.769 61.300 0.125 0.000 1.260 828 I CB 0.935 38.977 38.000 0.071 0.000 1.390 828 I HN 0.900 nan 8.210 nan 0.000 0.475 829 G N 7.897 116.749 108.800 0.087 0.000 2.329 829 G HA2 0.678 4.644 3.960 0.010 0.000 0.309 829 G HA3 0.678 4.644 3.960 0.010 0.000 0.309 829 G C -0.512 174.388 174.900 -0.000 0.000 1.110 829 G CA -0.350 44.722 45.100 -0.046 0.000 0.923 829 G HN 0.522 nan 8.290 nan 0.000 0.430 830 I N 3.086 123.697 120.570 0.069 0.000 2.418 830 I HA 0.321 4.497 4.170 0.010 0.000 0.287 830 I C -0.094 176.066 176.117 0.071 0.000 1.008 830 I CA -0.768 60.632 61.300 0.166 0.000 1.104 830 I CB 2.231 40.470 38.000 0.399 0.000 1.264 830 I HN 0.227 nan 8.210 nan 0.000 0.438 831 I N 5.444 126.018 120.570 0.006 0.000 2.441 831 I HA 0.186 4.362 4.170 0.010 0.000 0.287 831 I C -0.750 175.457 176.117 0.150 0.000 1.049 831 I CA 0.009 61.349 61.300 0.067 0.000 1.381 831 I CB 0.744 38.754 38.000 0.016 0.000 1.409 831 I HN 0.415 nan 8.210 nan 0.000 0.523 832 F N 7.100 127.113 119.950 0.105 0.000 2.427 832 F HA 0.439 4.973 4.527 0.013 0.000 0.348 832 F C -0.035 175.835 175.800 0.116 0.000 1.125 832 F CA -0.501 57.568 58.000 0.114 0.000 0.989 832 F CB 1.022 40.096 39.000 0.125 0.000 1.165 832 F HN 0.308 nan 8.300 nan 0.000 0.442 833 K N 4.248 124.733 120.400 0.142 0.000 2.427 833 K HA 0.343 4.669 4.320 0.010 0.000 0.252 833 K C -1.790 174.920 176.600 0.183 0.000 0.931 833 K CA -0.788 55.599 56.287 0.168 0.000 0.793 833 K CB 1.465 34.021 32.500 0.093 0.000 1.211 833 K HN 0.816 nan 8.250 nan 0.000 0.426 834 H N 1.226 120.372 119.070 0.126 0.000 2.529 834 H HA 0.523 5.085 4.556 0.010 0.000 0.348 834 H C 0.548 175.927 175.328 0.085 0.000 1.152 834 H CA 0.894 57.006 56.048 0.107 0.000 1.202 834 H CB 1.912 31.746 29.762 0.120 0.000 1.562 834 H HN 0.784 nan 8.280 nan 0.000 0.515 835 G N 3.405 111.823 108.800 -0.637 0.000 2.284 835 G HA2 -0.187 3.779 3.960 0.010 0.000 0.201 835 G HA3 -0.187 3.779 3.960 0.010 0.000 0.201 835 G C -0.629 174.174 174.900 -0.162 0.000 0.998 835 G CA 0.028 44.906 45.100 -0.370 0.000 0.651 835 G HN 0.655 nan 8.290 nan 0.000 0.489 836 D N 0.619 120.954 120.400 -0.108 0.000 2.252 836 D HA 0.511 5.157 4.640 0.010 0.000 0.245 836 D C -0.937 175.335 176.300 -0.046 0.000 1.009 836 D CA -0.395 53.582 54.000 -0.038 0.000 0.870 836 D CB 1.689 42.498 40.800 0.015 0.000 1.251 836 D HN 0.050 nan 8.370 nan 0.000 0.460 837 D N 1.828 122.213 120.400 -0.025 0.000 2.517 837 D HA 0.073 4.719 4.640 0.010 0.000 0.220 837 D C 1.025 177.318 176.300 -0.011 0.000 1.158 837 D CA -0.133 53.853 54.000 -0.023 0.000 0.992 837 D CB -0.003 40.783 40.800 -0.023 0.000 1.058 837 D HN 0.287 nan 8.370 nan 0.000 0.516 838 L N 2.415 123.633 121.223 -0.009 0.000 2.549 838 L HA -0.087 4.259 4.340 0.010 0.000 0.230 838 L C 2.344 179.207 176.870 -0.011 0.000 1.162 838 L CA 0.456 55.299 54.840 0.006 0.000 0.834 838 L CB -0.172 41.887 42.059 -0.001 0.000 0.947 838 L HN 0.301 nan 8.230 nan 0.000 0.452 839 R N -0.192 120.287 120.500 -0.035 0.000 2.127 839 R HA -0.200 4.146 4.340 0.010 0.000 0.238 839 R C 2.278 178.528 176.300 -0.084 0.000 1.134 839 R CA 1.411 57.467 56.100 -0.073 0.000 0.975 839 R CB -0.212 30.037 30.300 -0.087 0.000 0.865 839 R HN 0.537 nan 8.270 nan 0.000 0.447 840 Q N 0.315 120.083 119.800 -0.054 0.000 2.046 840 Q HA -0.170 4.176 4.340 0.010 0.000 0.200 840 Q C 1.517 177.492 176.000 -0.042 0.000 0.975 840 Q CA 1.784 57.552 55.803 -0.057 0.000 0.836 840 Q CB -0.082 28.640 28.738 -0.027 0.000 0.896 840 Q HN 0.365 nan 8.270 nan 0.000 0.428 841 D N 0.664 121.080 120.400 0.027 0.000 2.116 841 D HA -0.196 4.450 4.640 0.010 0.000 0.193 841 D C 1.841 178.125 176.300 -0.027 0.000 0.998 841 D CA 1.401 55.453 54.000 0.087 0.000 0.836 841 D CB -0.143 40.764 40.800 0.178 0.000 0.951 841 D HN 0.168 nan 8.370 nan 0.000 0.449 842 M N -0.135 119.433 119.600 -0.053 0.000 2.089 842 M HA -0.205 4.281 4.480 0.010 0.000 0.257 842 M C 2.164 178.364 176.300 -0.168 0.000 1.071 842 M CA 1.377 56.612 55.300 -0.109 0.000 1.096 842 M CB -0.427 32.093 32.600 -0.133 0.000 1.330 842 M HN 0.086 nan 8.290 nan 0.000 0.403 843 L N -0.425 120.693 121.223 -0.175 0.000 2.093 843 L HA -0.204 4.142 4.340 0.010 0.000 0.208 843 L C 2.412 179.163 176.870 -0.198 0.000 1.085 843 L CA 0.615 55.341 54.840 -0.190 0.000 0.755 843 L CB -0.541 41.410 42.059 -0.179 0.000 0.904 843 L HN 0.306 nan 8.230 nan 0.000 0.435 844 I N -0.140 120.290 120.570 -0.233 0.000 2.252 844 I HA -0.258 3.918 4.170 0.010 0.000 0.245 844 I C 2.449 178.349 176.117 -0.362 0.000 1.102 844 I CA 1.667 62.757 61.300 -0.351 0.000 1.385 844 I CB -0.875 36.766 38.000 -0.599 0.000 1.064 844 I HN 0.250 nan 8.210 nan 0.000 0.414 845 L N -0.095 120.944 121.223 -0.307 0.000 2.093 845 L HA -0.219 4.127 4.340 0.010 0.000 0.208 845 L C 2.616 179.377 176.870 -0.182 0.000 1.085 845 L CA 1.013 55.705 54.840 -0.246 0.000 0.755 845 L CB -0.517 41.398 42.059 -0.241 0.000 0.904 845 L HN 0.226 nan 8.230 nan 0.000 0.435 846 Q N 0.335 120.032 119.800 -0.171 0.000 2.079 846 Q HA -0.186 4.160 4.340 0.010 0.000 0.200 846 Q C 2.158 178.076 176.000 -0.137 0.000 0.974 846 Q CA 1.615 57.332 55.803 -0.142 0.000 0.840 846 Q CB -0.020 28.627 28.738 -0.153 0.000 0.898 846 Q HN 0.312 nan 8.270 nan 0.000 0.430 847 I N 0.395 120.877 120.570 -0.146 0.000 2.264 847 I HA -0.277 3.899 4.170 0.010 0.000 0.248 847 I C 2.164 178.176 176.117 -0.175 0.000 1.111 847 I CA 1.232 62.451 61.300 -0.136 0.000 1.382 847 I CB -1.191 36.743 38.000 -0.110 0.000 1.060 847 I HN 0.328 nan 8.210 nan 0.000 0.418 848 L N 0.173 121.287 121.223 -0.182 0.000 2.042 848 L HA -0.222 4.124 4.340 0.010 0.000 0.210 848 L C 2.807 179.576 176.870 -0.167 0.000 1.076 848 L CA 1.436 56.167 54.840 -0.182 0.000 0.749 848 L CB -0.565 41.412 42.059 -0.136 0.000 0.893 848 L HN 0.212 nan 8.230 nan 0.000 0.432 849 R N -0.146 120.282 120.500 -0.121 0.000 2.120 849 R HA -0.110 4.236 4.340 0.010 0.000 0.234 849 R C 2.217 178.445 176.300 -0.119 0.000 1.123 849 R CA 1.168 57.227 56.100 -0.067 0.000 0.975 849 R CB -0.286 30.007 30.300 -0.012 0.000 0.866 849 R HN 0.377 nan 8.270 nan 0.000 0.446 850 I N 0.370 120.825 120.570 -0.191 0.000 2.286 850 I HA -0.240 3.936 4.170 0.010 0.000 0.245 850 I C 2.354 178.248 176.117 -0.372 0.000 1.104 850 I CA 1.185 62.315 61.300 -0.283 0.000 1.397 850 I CB -0.131 37.739 38.000 -0.217 0.000 1.072 850 I HN 0.146 nan 8.210 nan 0.000 0.417 851 M N 0.081 119.419 119.600 -0.437 0.000 2.108 851 M HA -0.233 4.253 4.480 0.010 0.000 0.261 851 M C 2.169 177.934 176.300 -0.892 0.000 1.066 851 M CA 1.832 56.657 55.300 -0.793 0.000 1.107 851 M CB -0.436 31.626 32.600 -0.898 0.000 1.356 851 M HN 0.195 nan 8.290 nan 0.000 0.406 852 E N 0.080 120.030 120.200 -0.417 0.000 2.051 852 E HA -0.170 4.186 4.350 0.010 0.000 0.192 852 E C 2.134 178.704 176.600 -0.051 0.000 0.991 852 E CA 1.801 58.166 56.400 -0.058 0.000 0.799 852 E CB -0.156 29.568 29.700 0.039 0.000 0.748 852 E HN 0.581 nan 8.360 nan 0.000 0.449 853 S N 1.148 116.745 115.700 -0.173 0.000 2.368 853 S HA -0.162 4.314 4.470 0.010 0.000 0.225 853 S C 2.129 176.610 174.600 -0.198 0.000 1.030 853 S CA 0.748 58.830 58.200 -0.197 0.000 0.999 853 S CB -0.593 62.334 63.200 -0.456 0.000 0.844 853 S HN 0.160 nan 8.310 nan 0.000 0.459 854 I N 0.110 120.478 120.570 -0.335 0.000 2.118 854 I HA -0.198 3.978 4.170 0.010 0.000 0.241 854 I C 2.594 178.652 176.117 -0.098 0.000 1.070 854 I CA 1.600 62.665 61.300 -0.391 0.000 1.327 854 I CB -0.427 37.228 38.000 -0.575 0.000 1.034 854 I HN 0.368 nan 8.210 nan 0.000 0.405 855 W N 1.124 122.385 121.300 -0.066 0.000 2.342 855 W HA -0.209 4.457 4.660 0.010 0.000 0.297 855 W C 2.543 179.090 176.519 0.047 0.000 1.213 855 W CA 1.415 58.755 57.345 -0.010 0.000 1.251 855 W CB -1.015 28.424 29.460 -0.036 0.000 1.136 855 W HN 0.341 nan 8.180 nan 0.000 0.526 856 E N 0.313 120.671 120.200 0.263 0.000 2.085 856 E HA -0.229 4.127 4.350 0.010 0.000 0.194 856 E C 2.098 178.796 176.600 0.163 0.000 0.994 856 E CA 2.600 59.149 56.400 0.250 0.000 0.801 856 E CB -0.222 29.578 29.700 0.167 0.000 0.743 856 E HN 0.180 nan 8.360 nan 0.000 0.453 857 T N -0.903 113.712 114.554 0.102 0.000 2.897 857 T HA -0.119 4.237 4.350 0.010 0.000 0.271 857 T C 1.136 175.908 174.700 0.119 0.000 1.084 857 T CA 1.145 63.297 62.100 0.085 0.000 1.123 857 T CB -0.119 68.794 68.868 0.075 0.000 0.865 857 T HN 0.165 nan 8.240 nan 0.000 0.496 858 E N 1.066 121.369 120.200 0.170 0.000 2.437 858 E HA 0.273 4.629 4.350 0.010 0.000 0.195 858 E C 0.447 177.149 176.600 0.170 0.000 1.029 858 E CA -0.044 56.456 56.400 0.166 0.000 0.948 858 E CB 0.073 29.901 29.700 0.214 0.000 1.082 858 E HN 0.487 nan 8.360 nan 0.000 0.456 859 S N 0.320 116.137 115.700 0.195 0.000 3.402 859 S HA -0.193 4.283 4.470 0.010 0.000 0.329 859 S C 0.330 175.159 174.600 0.383 0.000 1.194 859 S CA 0.601 58.954 58.200 0.255 0.000 0.951 859 S CB -1.559 61.730 63.200 0.149 0.000 0.975 859 S HN 0.355 nan 8.310 nan 0.000 0.574 860 L N 1.198 122.596 121.223 0.293 0.000 2.322 860 L HA 0.625 4.971 4.340 0.010 0.000 0.279 860 L C 0.130 176.966 176.870 -0.056 0.000 1.036 860 L CA -0.570 54.327 54.840 0.095 0.000 0.807 860 L CB 1.147 43.189 42.059 -0.028 0.000 1.226 860 L HN -0.004 nan 8.230 nan 0.000 0.433 861 D N 3.334 123.514 120.400 -0.366 0.000 2.412 861 D HA 0.238 4.884 4.640 0.010 0.000 0.276 861 D C -0.542 175.603 176.300 -0.258 0.000 1.196 861 D CA -0.432 53.263 54.000 -0.510 0.000 0.905 861 D CB 0.593 40.672 40.800 -1.203 0.000 1.081 861 D HN 0.097 nan 8.370 nan 0.000 0.502 862 L N 1.467 122.546 121.223 -0.239 0.000 2.456 862 L HA 0.156 4.502 4.340 0.010 0.000 0.272 862 L C 0.640 177.470 176.870 -0.066 0.000 1.189 862 L CA -0.039 54.663 54.840 -0.229 0.000 0.846 862 L CB 0.733 42.382 42.059 -0.683 0.000 1.111 862 L HN 0.500 nan 8.230 nan 0.000 0.475 863 C N 4.907 124.207 119.300 0.000 0.000 2.478 863 C HA 0.361 4.827 4.460 0.010 0.000 0.471 863 C C 0.966 176.034 174.990 0.130 0.000 1.146 863 C CA -0.916 58.128 59.018 0.043 0.000 1.532 863 C CB -1.514 26.256 27.740 0.049 0.000 1.622 863 C HN 0.511 nan 8.230 nan 0.000 0.568 864 L N 1.326 122.599 121.223 0.084 0.000 2.473 864 L HA 0.243 4.589 4.340 0.010 0.000 0.268 864 L C 0.161 177.162 176.870 0.218 0.000 1.215 864 L CA -0.145 54.750 54.840 0.091 0.000 0.823 864 L CB 0.307 42.317 42.059 -0.082 0.000 1.099 864 L HN 0.270 nan 8.230 nan 0.000 0.483 865 L N 3.879 125.335 121.223 0.389 0.000 2.470 865 L HA 0.417 4.763 4.340 0.010 0.000 0.253 865 L C -2.349 174.662 176.870 0.234 0.000 1.163 865 L CA -1.400 53.559 54.840 0.198 0.000 0.932 865 L CB 0.844 42.881 42.059 -0.036 0.000 1.213 865 L HN 0.224 nan 8.230 nan 0.000 0.485 866 P HA 0.221 nan 4.420 nan 0.000 0.247 866 P C -1.026 176.233 177.300 -0.070 0.000 1.756 866 P CA -0.218 62.878 63.100 -0.007 0.000 1.117 866 P CB -0.529 31.155 31.700 -0.027 0.000 1.869 867 Y N 0.211 120.545 120.300 0.056 0.000 2.550 867 Y HA 0.409 4.965 4.550 0.010 0.000 0.343 867 Y C 1.152 177.008 175.900 -0.073 0.000 1.245 867 Y CA -1.053 57.026 58.100 -0.035 0.000 1.462 867 Y CB -0.318 38.108 38.460 -0.057 0.000 1.340 867 Y HN 0.296 nan 8.280 nan 0.000 0.604 868 G N 0.225 108.987 108.800 -0.062 0.000 2.491 868 G HA2 0.323 4.289 3.960 0.010 0.000 0.242 868 G HA3 0.323 4.289 3.960 0.010 0.000 0.242 868 G C -1.236 173.474 174.900 -0.318 0.000 1.266 868 G CA -0.154 44.791 45.100 -0.257 0.000 0.844 868 G HN 1.096 nan 8.290 nan 0.000 0.571 869 C N 3.660 122.894 119.300 -0.111 0.000 2.871 869 C HA 0.585 5.051 4.460 0.010 0.000 0.378 869 C C -1.260 173.763 174.990 0.055 0.000 1.052 869 C CA -0.956 58.044 59.018 -0.031 0.000 1.250 869 C CB 0.195 27.953 27.740 0.031 0.000 1.689 869 C HN 0.604 nan 8.230 nan 0.000 0.506 870 I N 5.116 125.706 120.570 0.033 0.000 2.478 870 I HA 0.294 4.470 4.170 0.010 0.000 0.287 870 I C 0.309 176.396 176.117 -0.049 0.000 1.042 870 I CA 0.179 61.492 61.300 0.023 0.000 1.067 870 I CB 1.916 39.867 38.000 -0.082 0.000 1.233 870 I HN 0.768 nan 8.210 nan 0.000 0.431 871 S N 3.821 119.524 115.700 0.004 0.000 2.455 871 S HA 0.207 4.683 4.470 0.010 0.000 0.278 871 S C 1.226 175.855 174.600 0.049 0.000 1.216 871 S CA -0.068 58.132 58.200 -0.001 0.000 1.055 871 S CB 0.280 63.483 63.200 0.005 0.000 0.939 871 S HN 0.784 nan 8.310 nan 0.000 0.494 872 T N 2.174 116.750 114.554 0.037 0.000 3.015 872 T HA 0.504 4.860 4.350 0.010 0.000 0.250 872 T C 0.929 175.749 174.700 0.200 0.000 1.057 872 T CA 0.332 62.535 62.100 0.172 0.000 1.066 872 T CB 0.158 69.093 68.868 0.112 0.000 0.959 872 T HN 0.787 nan 8.240 nan 0.000 0.488 873 G N 0.421 109.295 108.800 0.123 0.000 2.578 873 G HA2 0.412 4.378 3.960 0.010 0.000 0.302 873 G HA3 0.412 4.378 3.960 0.010 0.000 0.302 873 G C -1.980 172.970 174.900 0.084 0.000 1.243 873 G CA -0.684 44.485 45.100 0.114 0.000 0.843 873 G HN 0.043 nan 8.290 nan 0.000 0.486 874 D N 0.844 121.301 120.400 0.094 0.000 2.346 874 D HA 0.265 4.911 4.640 0.010 0.000 0.267 874 D C 0.702 177.033 176.300 0.052 0.000 1.320 874 D CA 0.480 54.526 54.000 0.077 0.000 0.951 874 D CB -0.110 40.748 40.800 0.097 0.000 1.079 874 D HN 0.512 nan 8.370 nan 0.000 0.509 875 K N 1.089 121.483 120.400 -0.009 0.000 3.209 875 K HA -0.229 4.097 4.320 0.010 0.000 0.289 875 K C -0.030 176.503 176.600 -0.112 0.000 1.191 875 K CA 0.465 56.688 56.287 -0.106 0.000 0.851 875 K CB -1.465 30.897 32.500 -0.231 0.000 1.242 875 K HN 0.536 nan 8.250 nan 0.000 0.480 876 I N -1.249 119.325 120.570 0.006 0.000 2.828 876 I HA 0.676 4.852 4.170 0.010 0.000 0.302 876 I C 0.107 176.214 176.117 -0.016 0.000 1.101 876 I CA -0.147 61.187 61.300 0.056 0.000 1.031 876 I CB 2.182 40.302 38.000 0.200 0.000 1.231 876 I HN 0.144 nan 8.210 nan 0.000 0.427 877 G N 5.452 114.171 108.800 -0.135 0.000 2.321 877 G HA2 0.382 4.348 3.960 0.010 0.000 0.296 877 G HA3 0.382 4.348 3.960 0.010 0.000 0.296 877 G C -1.732 172.841 174.900 -0.546 0.000 1.287 877 G CA -0.740 44.189 45.100 -0.286 0.000 0.846 877 G HN 0.686 nan 8.290 nan 0.000 0.508 878 M N -0.821 118.515 119.600 -0.441 0.000 2.662 878 M HA 0.900 5.386 4.480 0.010 0.000 0.310 878 M C -1.072 175.149 176.300 -0.131 0.000 1.204 878 M CA -0.966 54.111 55.300 -0.373 0.000 0.891 878 M CB 2.491 34.912 32.600 -0.297 0.000 1.732 878 M HN 0.385 nan 8.290 nan 0.000 0.467 879 I N 0.373 120.889 120.570 -0.091 0.000 2.619 879 I HA 0.310 4.486 4.170 0.010 0.000 0.292 879 I C -0.646 175.343 176.117 -0.214 0.000 1.100 879 I CA -0.631 60.597 61.300 -0.120 0.000 1.043 879 I CB 2.429 40.407 38.000 -0.036 0.000 1.239 879 I HN 0.839 nan 8.210 nan 0.000 0.420 880 E N 6.154 126.080 120.200 -0.456 0.000 2.324 880 E HA 0.245 4.601 4.350 0.010 0.000 0.271 880 E C -0.877 175.620 176.600 -0.171 0.000 1.028 880 E CA -0.344 55.832 56.400 -0.374 0.000 0.890 880 E CB 0.834 30.250 29.700 -0.473 0.000 1.004 880 E HN 0.433 nan 8.360 nan 0.000 0.431 881 I N 5.293 125.787 120.570 -0.127 0.000 2.379 881 I HA 0.038 4.214 4.170 0.010 0.000 0.290 881 I C -0.210 175.863 176.117 -0.073 0.000 1.063 881 I CA -0.555 60.633 61.300 -0.186 0.000 1.351 881 I CB 1.130 38.886 38.000 -0.407 0.000 1.410 881 I HN 0.330 nan 8.210 nan 0.000 0.505 882 V N 7.801 127.689 119.914 -0.042 0.000 2.530 882 V HA 0.136 4.262 4.120 0.010 0.000 0.282 882 V C 0.653 176.793 176.094 0.077 0.000 1.048 882 V CA -0.782 61.513 62.300 -0.008 0.000 0.997 882 V CB 0.787 32.538 31.823 -0.120 0.000 0.987 882 V HN 0.553 nan 8.190 nan 0.000 0.477 883 K N 2.745 123.193 120.400 0.081 0.000 2.319 883 K HA 0.089 4.415 4.320 0.010 0.000 0.265 883 K C 0.294 176.991 176.600 0.162 0.000 1.000 883 K CA 0.048 56.410 56.287 0.123 0.000 0.943 883 K CB 0.128 32.689 32.500 0.102 0.000 0.950 883 K HN 0.765 nan 8.250 nan 0.000 0.485 884 D N -0.931 119.583 120.400 0.190 0.000 2.723 884 D HA -0.198 4.448 4.640 0.010 0.000 0.236 884 D C -0.799 175.672 176.300 0.285 0.000 1.138 884 D CA 1.276 55.405 54.000 0.215 0.000 0.676 884 D CB -1.011 39.892 40.800 0.172 0.000 1.069 884 D HN 0.607 nan 8.370 nan 0.000 0.430 885 A N 0.071 123.065 122.820 0.291 0.000 2.355 885 A HA 0.787 5.113 4.320 0.010 0.000 0.317 885 A C 0.522 178.239 177.584 0.222 0.000 1.094 885 A CA 0.089 52.313 52.037 0.312 0.000 0.764 885 A CB 1.748 20.987 19.000 0.399 0.000 1.230 885 A HN 0.205 nan 8.150 nan 0.000 0.448 886 T N -1.269 113.349 114.554 0.107 0.000 2.916 886 T HA 0.712 5.068 4.350 0.010 0.000 0.292 886 T C -0.090 174.508 174.700 -0.170 0.000 1.064 886 T CA -0.515 61.564 62.100 -0.035 0.000 1.011 886 T CB 1.426 70.231 68.868 -0.104 0.000 1.152 886 T HN 0.457 nan 8.240 nan 0.000 0.510 887 T N 2.594 117.045 114.554 -0.173 0.000 2.889 887 T HA 0.281 4.637 4.350 0.010 0.000 0.291 887 T C 1.580 176.150 174.700 -0.217 0.000 0.995 887 T CA -0.760 61.217 62.100 -0.204 0.000 1.092 887 T CB 0.349 69.126 68.868 -0.153 0.000 0.954 887 T HN 0.515 nan 8.240 nan 0.000 0.506 888 I N 2.231 122.690 120.570 -0.186 0.000 2.248 888 I HA -0.200 3.976 4.170 0.010 0.000 0.248 888 I C 2.592 178.678 176.117 -0.053 0.000 1.107 888 I CA 1.328 62.573 61.300 -0.091 0.000 1.373 888 I CB -1.726 36.301 38.000 0.045 0.000 1.055 888 I HN 0.748 nan 8.210 nan 0.000 0.418 889 A N 0.908 123.687 122.820 -0.068 0.000 1.877 889 A HA -0.207 4.119 4.320 0.010 0.000 0.216 889 A C 2.376 179.949 177.584 -0.019 0.000 1.186 889 A CA 1.523 53.562 52.037 0.002 0.000 0.620 889 A CB -0.446 18.549 19.000 -0.009 0.000 0.822 889 A HN 0.380 nan 8.150 nan 0.000 0.443 890 K N -0.357 120.001 120.400 -0.070 0.000 2.057 890 K HA -0.007 4.319 4.320 0.010 0.000 0.206 890 K C 1.809 178.343 176.600 -0.111 0.000 1.050 890 K CA 1.344 57.585 56.287 -0.077 0.000 0.935 890 K CB -0.412 32.039 32.500 -0.081 0.000 0.715 890 K HN 0.497 nan 8.250 nan 0.000 0.439 891 I N 1.675 122.122 120.570 -0.205 0.000 2.185 891 I HA -0.364 3.812 4.170 0.010 0.000 0.246 891 I C 2.292 178.341 176.117 -0.114 0.000 1.088 891 I CA 1.621 62.747 61.300 -0.291 0.000 1.347 891 I CB -0.264 37.444 38.000 -0.487 0.000 1.041 891 I HN 0.300 nan 8.210 nan 0.000 0.415 892 Q N -0.308 119.454 119.800 -0.063 0.000 2.398 892 Q HA -0.096 4.250 4.340 0.010 0.000 0.204 892 Q C 2.015 177.959 176.000 -0.092 0.000 0.932 892 Q CA 0.388 56.163 55.803 -0.046 0.000 0.916 892 Q CB 0.144 28.888 28.738 0.011 0.000 1.024 892 Q HN 0.584 nan 8.270 nan 0.000 0.504 893 Q N 0.023 119.778 119.800 -0.075 0.000 2.291 893 Q HA -0.093 4.253 4.340 0.010 0.000 0.205 893 Q C 1.914 177.874 176.000 -0.067 0.000 0.970 893 Q CA 0.944 56.701 55.803 -0.076 0.000 0.876 893 Q CB 0.168 28.882 28.738 -0.039 0.000 0.935 893 Q HN 0.213 nan 8.270 nan 0.000 0.455 894 S N 0.323 115.993 115.700 -0.050 0.000 2.349 894 S HA -0.152 4.324 4.470 0.010 0.000 0.216 894 S C 2.045 176.613 174.600 -0.053 0.000 1.033 894 S CA 1.732 59.914 58.200 -0.031 0.000 1.021 894 S CB -0.588 62.617 63.200 0.007 0.000 0.968 894 S HN 0.409 nan 8.310 nan 0.000 0.426 895 T N 1.808 116.322 114.554 -0.067 0.000 2.849 895 T HA -0.000 4.356 4.350 0.010 0.000 0.270 895 T C 1.204 175.836 174.700 -0.113 0.000 1.066 895 T CA 1.099 63.143 62.100 -0.093 0.000 1.130 895 T CB -0.153 68.646 68.868 -0.115 0.000 0.864 895 T HN 0.182 nan 8.240 nan 0.000 0.481 896 V N -1.406 118.428 119.914 -0.133 0.000 6.981 896 V HA 0.896 5.022 4.120 0.010 0.000 0.267 896 V C 1.353 177.367 176.094 -0.133 0.000 1.691 896 V CA -0.096 62.107 62.300 -0.161 0.000 0.587 896 V CB 0.538 32.211 31.823 -0.250 0.000 1.625 896 V HN 0.394 nan 8.190 nan 0.000 0.354 897 G N -0.638 108.065 108.800 -0.161 0.000 1.969 897 G HA2 -0.078 3.888 3.960 0.010 0.000 0.055 897 G HA3 -0.078 3.888 3.960 0.010 0.000 0.055 897 G C 0.376 175.237 174.900 -0.064 0.000 0.734 897 G CA 0.428 45.472 45.100 -0.093 0.000 1.109 897 G HN 0.341 nan 8.290 nan 0.000 0.348 898 N N 1.726 120.413 118.700 -0.023 0.000 2.011 898 N HA -0.094 4.652 4.740 0.010 0.000 0.199 898 N C 1.707 177.247 175.510 0.049 0.000 1.047 898 N CA 2.062 55.143 53.050 0.052 0.000 0.863 898 N CB -1.377 37.123 38.487 0.021 0.000 1.056 898 N HN 0.963 nan 8.380 nan 0.000 0.427 899 T N -1.925 112.567 114.554 -0.104 0.000 2.932 899 T HA 0.258 4.614 4.350 0.010 0.000 0.312 899 T C 1.184 175.511 174.700 -0.623 0.000 1.071 899 T CA -0.141 61.821 62.100 -0.232 0.000 1.128 899 T CB 0.989 69.744 68.868 -0.188 0.000 0.984 899 T HN 0.279 nan 8.240 nan 0.000 0.549 900 G N 0.919 109.156 108.800 -0.939 0.000 3.340 900 G HA2 0.406 4.372 3.960 0.010 0.000 0.240 900 G HA3 0.406 4.372 3.960 0.010 0.000 0.240 900 G C 0.673 174.960 174.900 -1.022 0.000 1.327 900 G CA -0.243 43.984 45.100 -1.456 0.000 1.170 900 G HN 1.221 nan 8.290 nan 0.000 0.520 901 A N 0.842 123.211 122.820 -0.751 0.000 3.030 901 A HA 0.529 4.855 4.320 0.010 0.000 0.273 901 A C -0.084 177.110 177.584 -0.649 0.000 1.841 901 A CA -0.572 51.141 52.037 -0.540 0.000 1.479 901 A CB -0.805 17.984 19.000 -0.352 0.000 1.048 901 A HN 0.274 nan 8.150 nan 0.000 0.612 902 F N 1.028 120.587 119.950 -0.652 0.000 2.529 902 F HA 0.221 4.754 4.527 0.010 0.000 0.365 902 F C 1.035 176.323 175.800 -0.853 0.000 1.102 902 F CA 0.724 58.133 58.000 -0.984 0.000 1.271 902 F CB 0.816 38.614 39.000 -2.003 0.000 1.120 902 F HN 0.308 nan 8.300 nan 0.000 0.579 903 K N 2.062 122.250 120.400 -0.354 0.000 2.259 903 K HA 0.216 4.542 4.320 0.010 0.000 0.249 903 K C -0.274 176.366 176.600 0.065 0.000 0.942 903 K CA -0.819 55.377 56.287 -0.152 0.000 0.816 903 K CB 1.808 34.224 32.500 -0.138 0.000 1.155 903 K HN 0.447 nan 8.250 nan 0.000 0.428 904 D N 1.406 121.866 120.400 0.101 0.000 2.162 904 D HA -0.096 4.550 4.640 0.010 0.000 0.203 904 D C 0.819 176.991 176.300 -0.214 0.000 0.967 904 D CA 1.349 55.431 54.000 0.136 0.000 0.840 904 D CB 0.351 41.207 40.800 0.093 0.000 0.972 904 D HN 0.545 nan 8.370 nan 0.000 0.482 905 E N 0.135 120.071 120.200 -0.441 0.000 2.385 905 E HA 0.003 4.359 4.350 0.010 0.000 0.194 905 E C 2.027 178.684 176.600 0.095 0.000 1.013 905 E CA -0.063 55.874 56.400 -0.772 0.000 0.866 905 E CB 0.492 29.878 29.700 -0.524 0.000 0.832 905 E HN 0.039 nan 8.360 nan 0.000 0.500 906 V N 1.953 121.951 119.914 0.140 0.000 2.282 906 V HA -0.301 3.825 4.120 0.010 0.000 0.249 906 V C 2.319 178.589 176.094 0.292 0.000 1.057 906 V CA 1.588 64.012 62.300 0.206 0.000 1.032 906 V CB -0.448 31.419 31.823 0.074 0.000 0.645 906 V HN 0.373 nan 8.190 nan 0.000 0.447 907 L N 0.028 121.403 121.223 0.253 0.000 1.989 907 L HA -0.258 4.088 4.340 0.010 0.000 0.211 907 L C 2.471 179.517 176.870 0.292 0.000 1.071 907 L CA 2.484 57.474 54.840 0.250 0.000 0.749 907 L CB -0.548 41.642 42.059 0.218 0.000 0.890 907 L HN 0.460 nan 8.230 nan 0.000 0.431 908 N N -0.666 118.212 118.700 0.297 0.000 2.069 908 N HA -0.240 4.506 4.740 0.010 0.000 0.191 908 N C 1.720 177.373 175.510 0.238 0.000 1.031 908 N CA 1.752 54.978 53.050 0.295 0.000 0.852 908 N CB -0.161 38.606 38.487 0.467 0.000 1.018 908 N HN 0.377 nan 8.380 nan 0.000 0.423 909 H N -2.059 117.147 119.070 0.226 0.000 2.319 909 H HA -0.144 4.418 4.556 0.010 0.000 0.297 909 H C 1.491 176.911 175.328 0.153 0.000 1.097 909 H CA 2.177 58.309 56.048 0.139 0.000 1.285 909 H CB -0.414 29.411 29.762 0.105 0.000 1.368 909 H HN 0.418 nan 8.280 nan 0.000 0.495 910 W N 0.957 122.362 121.300 0.175 0.000 2.363 910 W HA -0.140 4.525 4.660 0.009 0.000 0.296 910 W C 1.657 178.237 176.519 0.102 0.000 1.212 910 W CA 1.264 58.676 57.345 0.112 0.000 1.260 910 W CB -0.261 29.256 29.460 0.096 0.000 1.131 910 W HN 0.115 nan 8.180 nan 0.000 0.530 911 L N 0.351 121.741 121.223 0.280 0.000 2.109 911 L HA -0.180 4.166 4.340 0.010 0.000 0.207 911 L C 2.460 179.402 176.870 0.121 0.000 1.086 911 L CA 1.409 56.356 54.840 0.178 0.000 0.760 911 L CB -0.768 41.483 42.059 0.318 0.000 0.910 911 L HN -0.091 nan 8.230 nan 0.000 0.437 912 K N -0.028 120.375 120.400 0.005 0.000 2.057 912 K HA -0.233 4.093 4.320 0.010 0.000 0.206 912 K C 2.005 178.485 176.600 -0.200 0.000 1.050 912 K CA 1.448 57.542 56.287 -0.321 0.000 0.935 912 K CB -0.114 32.093 32.500 -0.488 0.000 0.715 912 K HN 0.300 nan 8.250 nan 0.000 0.439 913 E N 1.218 121.320 120.200 -0.163 0.000 2.085 913 E HA -0.207 4.149 4.350 0.010 0.000 0.194 913 E C 1.384 177.845 176.600 -0.232 0.000 0.994 913 E CA 1.210 57.503 56.400 -0.178 0.000 0.801 913 E CB 0.249 29.845 29.700 -0.173 0.000 0.743 913 E HN -0.014 nan 8.360 nan 0.000 0.453 914 K N 0.807 120.994 120.400 -0.355 0.000 2.487 914 K HA 0.030 4.356 4.320 0.010 0.000 0.192 914 K C 0.509 177.005 176.600 -0.174 0.000 1.027 914 K CA 0.398 56.467 56.287 -0.364 0.000 1.054 914 K CB 0.462 32.545 32.500 -0.696 0.000 0.824 914 K HN 0.123 nan 8.250 nan 0.000 0.510 915 S N 0.593 116.236 115.700 -0.095 0.000 2.429 915 S HA 0.372 4.848 4.470 0.010 0.000 0.302 915 S C -2.119 172.466 174.600 -0.025 0.000 1.115 915 S CA -1.271 56.922 58.200 -0.012 0.000 1.095 915 S CB 1.991 65.252 63.200 0.102 0.000 0.987 915 S HN -0.192 nan 8.310 nan 0.000 0.474 916 P HA 0.008 nan 4.420 nan 0.000 0.213 916 P C 0.702 177.998 177.300 -0.006 0.000 1.170 916 P CA 1.111 64.201 63.100 -0.016 0.000 0.889 916 P CB -0.282 31.414 31.700 -0.006 0.000 0.782 917 T N -2.413 112.150 114.554 0.014 0.000 2.875 917 T HA 0.217 4.573 4.350 0.010 0.000 0.284 917 T C 0.985 175.715 174.700 0.050 0.000 0.995 917 T CA -0.720 61.395 62.100 0.024 0.000 1.060 917 T CB 1.509 70.395 68.868 0.030 0.000 0.967 917 T HN -0.060 nan 8.240 nan 0.000 0.476 918 E N 1.223 121.449 120.200 0.044 0.000 2.331 918 E HA -0.197 4.159 4.350 0.010 0.000 0.199 918 E C 1.713 178.407 176.600 0.156 0.000 1.008 918 E CA 1.420 57.870 56.400 0.083 0.000 0.843 918 E CB 0.123 29.848 29.700 0.042 0.000 0.761 918 E HN 0.978 nan 8.360 nan 0.000 0.507 919 E N 0.112 120.374 120.200 0.103 0.000 2.076 919 E HA -0.144 4.212 4.350 0.010 0.000 0.190 919 E C 1.888 178.542 176.600 0.090 0.000 0.979 919 E CA 0.616 57.070 56.400 0.090 0.000 0.807 919 E CB -0.241 29.494 29.700 0.058 0.000 0.761 919 E HN 0.058 nan 8.360 nan 0.000 0.454 920 K N 0.159 120.613 120.400 0.090 0.000 2.097 920 K HA -0.129 4.197 4.320 0.010 0.000 0.206 920 K C 1.968 178.627 176.600 0.098 0.000 1.049 920 K CA 1.449 57.782 56.287 0.076 0.000 0.933 920 K CB -0.357 32.182 32.500 0.064 0.000 0.717 920 K HN 0.120 nan 8.250 nan 0.000 0.442 921 F N 2.601 122.548 119.950 -0.005 0.000 2.095 921 F HA -0.255 4.278 4.527 0.010 0.000 0.298 921 F C 2.167 177.967 175.800 0.001 0.000 1.104 921 F CA 1.595 59.588 58.000 -0.012 0.000 1.232 921 F CB -0.152 38.833 39.000 -0.025 0.000 0.987 921 F HN -0.015 nan 8.300 nan 0.000 0.475 922 Q N 0.434 120.114 119.800 -0.201 0.000 2.224 922 Q HA -0.077 4.269 4.340 0.010 0.000 0.203 922 Q C 2.451 178.357 176.000 -0.156 0.000 0.970 922 Q CA 1.274 56.916 55.803 -0.269 0.000 0.865 922 Q CB -0.869 27.855 28.738 -0.023 0.000 0.922 922 Q HN 0.590 nan 8.270 nan 0.000 0.445 923 A N 0.910 123.684 122.820 -0.076 0.000 1.897 923 A HA 0.047 4.373 4.320 0.010 0.000 0.215 923 A C 2.339 179.902 177.584 -0.035 0.000 1.181 923 A CA 1.464 53.483 52.037 -0.031 0.000 0.620 923 A CB -0.575 18.423 19.000 -0.004 0.000 0.821 923 A HN 0.333 nan 8.150 nan 0.000 0.443 924 A N -0.462 122.325 122.820 -0.056 0.000 1.908 924 A HA -0.045 4.281 4.320 0.010 0.000 0.218 924 A C 2.208 179.769 177.584 -0.039 0.000 1.181 924 A CA 1.839 53.867 52.037 -0.015 0.000 0.627 924 A CB -0.956 18.047 19.000 0.006 0.000 0.818 924 A HN 0.380 nan 8.150 nan 0.000 0.445 925 V N -0.043 119.722 119.914 -0.249 0.000 2.407 925 V HA -0.263 3.863 4.120 0.010 0.000 0.248 925 V C 2.530 178.616 176.094 -0.014 0.000 1.055 925 V CA 2.396 64.533 62.300 -0.271 0.000 1.049 925 V CB -0.545 30.887 31.823 -0.652 0.000 0.662 925 V HN 0.824 nan 8.190 nan 0.000 0.455 926 E N 0.128 120.349 120.200 0.035 0.000 2.072 926 E HA -0.255 4.101 4.350 0.010 0.000 0.190 926 E C 2.353 179.087 176.600 0.224 0.000 0.982 926 E CA 0.937 57.452 56.400 0.191 0.000 0.803 926 E CB -0.079 29.707 29.700 0.145 0.000 0.755 926 E HN 0.352 nan 8.360 nan 0.000 0.453 927 R N 0.239 120.816 120.500 0.129 0.000 2.105 927 R HA -0.174 4.172 4.340 0.010 0.000 0.239 927 R C 2.022 178.443 176.300 0.201 0.000 1.135 927 R CA 1.705 57.882 56.100 0.129 0.000 0.967 927 R CB -1.046 29.312 30.300 0.097 0.000 0.861 927 R HN 0.337 nan 8.270 nan 0.000 0.442 928 F N -0.292 119.696 119.950 0.064 0.000 2.134 928 F HA -0.127 4.406 4.527 0.010 0.000 0.299 928 F C 1.884 177.729 175.800 0.075 0.000 1.097 928 F CA 1.463 59.486 58.000 0.038 0.000 1.264 928 F CB -0.416 38.567 39.000 -0.028 0.000 1.001 928 F HN -0.121 nan 8.300 nan 0.000 0.479 929 V N -0.598 119.401 119.914 0.141 0.000 2.407 929 V HA -0.309 3.817 4.120 0.010 0.000 0.248 929 V C 2.040 178.146 176.094 0.021 0.000 1.055 929 V CA 2.017 64.373 62.300 0.094 0.000 1.049 929 V CB -0.854 31.121 31.823 0.253 0.000 0.662 929 V HN 0.379 nan 8.190 nan 0.000 0.455 930 Y N 0.862 121.139 120.300 -0.038 0.000 2.243 930 Y HA -0.151 4.405 4.550 0.010 0.000 0.293 930 Y C 2.869 178.702 175.900 -0.111 0.000 1.124 930 Y CA 1.521 59.559 58.100 -0.103 0.000 1.159 930 Y CB -0.564 37.828 38.460 -0.114 0.000 1.008 930 Y HN 0.393 nan 8.280 nan 0.000 0.527 931 S N -1.749 114.012 115.700 0.101 0.000 2.428 931 S HA -0.208 4.268 4.470 0.010 0.000 0.230 931 S C 2.157 176.845 174.600 0.146 0.000 1.014 931 S CA 0.892 59.182 58.200 0.150 0.000 0.957 931 S CB -1.235 62.106 63.200 0.234 0.000 0.784 931 S HN 0.564 nan 8.310 nan 0.000 0.499 932 C N 2.050 121.289 119.300 -0.100 0.000 2.462 932 C HA 0.234 4.700 4.460 0.010 0.000 0.278 932 C C 3.173 178.225 174.990 0.103 0.000 1.253 932 C CA 0.916 59.856 59.018 -0.130 0.000 1.713 932 C CB -1.617 25.782 27.740 -0.569 0.000 2.049 932 C HN 0.688 nan 8.230 nan 0.000 0.477 933 A N 0.364 123.221 122.820 0.061 0.000 1.933 933 A HA 0.064 4.390 4.320 0.010 0.000 0.218 933 A C 2.449 179.876 177.584 -0.263 0.000 1.175 933 A CA 2.195 54.101 52.037 -0.219 0.000 0.628 933 A CB -1.481 17.175 19.000 -0.573 0.000 0.814 933 A HN 0.729 nan 8.150 nan 0.000 0.444 934 G N -1.876 106.786 108.800 -0.229 0.000 2.418 934 G HA2 -0.214 3.752 3.960 0.010 0.000 0.217 934 G HA3 -0.214 3.752 3.960 0.010 0.000 0.217 934 G C 1.469 176.310 174.900 -0.098 0.000 1.158 934 G CA 1.198 46.138 45.100 -0.266 0.000 0.771 934 G HN 0.577 nan 8.290 nan 0.000 0.545 935 Y N -0.116 120.199 120.300 0.025 0.000 2.337 935 Y HA -0.020 4.536 4.550 0.010 0.000 0.293 935 Y C 3.031 178.919 175.900 -0.020 0.000 1.123 935 Y CA 0.513 58.619 58.100 0.011 0.000 1.201 935 Y CB -0.150 38.316 38.460 0.010 0.000 1.011 935 Y HN 0.217 nan 8.280 nan 0.000 0.545 936 C N -1.164 118.174 119.300 0.063 0.000 2.440 936 C HA -0.117 4.349 4.460 0.010 0.000 0.278 936 C C 2.657 177.620 174.990 -0.044 0.000 1.295 936 C CA 0.839 59.732 59.018 -0.209 0.000 1.738 936 C CB -1.004 26.318 27.740 -0.696 0.000 1.987 936 C HN 0.332 nan 8.230 nan 0.000 0.492 937 V N 1.372 121.316 119.914 0.050 0.000 2.255 937 V HA -0.129 3.997 4.120 0.010 0.000 0.243 937 V C 2.753 179.061 176.094 0.356 0.000 1.038 937 V CA 2.154 64.593 62.300 0.232 0.000 1.008 937 V CB -1.463 30.392 31.823 0.053 0.000 0.645 937 V HN 0.538 nan 8.190 nan 0.000 0.449 938 A N -0.669 122.318 122.820 0.277 0.000 1.917 938 A HA -0.291 4.035 4.320 0.010 0.000 0.219 938 A C 2.425 180.119 177.584 0.185 0.000 1.182 938 A CA 2.778 54.925 52.037 0.184 0.000 0.633 938 A CB -1.053 17.980 19.000 0.055 0.000 0.819 938 A HN 0.464 nan 8.150 nan 0.000 0.448 939 T N -1.971 112.711 114.554 0.213 0.000 2.904 939 T HA -0.037 4.319 4.350 0.010 0.000 0.267 939 T C 1.484 176.399 174.700 0.358 0.000 1.059 939 T CA 1.339 63.587 62.100 0.245 0.000 1.137 939 T CB -0.354 68.629 68.868 0.192 0.000 0.879 939 T HN 0.455 nan 8.240 nan 0.000 0.467 940 F N 1.151 121.295 119.950 0.323 0.000 2.128 940 F HA 0.026 4.559 4.527 0.010 0.000 0.295 940 F C 2.106 178.152 175.800 0.409 0.000 1.100 940 F CA 0.810 59.057 58.000 0.412 0.000 1.260 940 F CB -0.449 38.839 39.000 0.479 0.000 1.009 940 F HN -0.077 nan 8.300 nan 0.000 0.476 941 V N 0.746 120.890 119.914 0.384 0.000 2.490 941 V HA -0.272 3.854 4.120 0.010 0.000 0.250 941 V C 2.265 178.439 176.094 0.133 0.000 1.061 941 V CA 1.736 64.181 62.300 0.241 0.000 1.064 941 V CB -0.631 31.352 31.823 0.267 0.000 0.670 941 V HN 0.377 nan 8.190 nan 0.000 0.461 942 L N -0.204 121.103 121.223 0.140 0.000 2.509 942 L HA 0.294 4.640 4.340 0.010 0.000 0.222 942 L C 1.785 178.656 176.870 0.002 0.000 1.123 942 L CA 0.888 55.805 54.840 0.127 0.000 0.856 942 L CB -0.203 41.919 42.059 0.104 0.000 0.985 942 L HN 0.532 nan 8.230 nan 0.000 0.456 943 G N 1.367 110.130 108.800 -0.062 0.000 2.143 943 G HA2 -0.285 3.681 3.960 0.010 0.000 0.249 943 G HA3 -0.285 3.681 3.960 0.010 0.000 0.249 943 G C 0.637 175.584 174.900 0.078 0.000 0.981 943 G CA 0.385 45.289 45.100 -0.325 0.000 0.665 943 G HN 0.522 nan 8.290 nan 0.000 0.528 944 I N -2.419 118.267 120.570 0.193 0.000 3.816 944 I HA 0.585 4.761 4.170 0.010 0.000 0.334 944 I C 1.481 177.815 176.117 0.362 0.000 1.551 944 I CA 0.220 61.712 61.300 0.318 0.000 1.153 944 I CB 0.111 38.300 38.000 0.315 0.000 1.197 944 I HN 0.008 nan 8.210 nan 0.000 0.439 945 G N 0.899 109.916 108.800 0.362 0.000 2.430 945 G HA2 -0.179 3.787 3.960 0.010 0.000 0.216 945 G HA3 -0.179 3.787 3.960 0.010 0.000 0.216 945 G C 0.491 175.640 174.900 0.414 0.000 1.146 945 G CA 0.284 45.654 45.100 0.448 0.000 0.793 945 G HN 0.443 nan 8.290 nan 0.000 0.537 946 D N 1.125 121.723 120.400 0.331 0.000 2.383 946 D HA 0.177 4.823 4.640 0.010 0.000 0.245 946 D C 0.152 176.611 176.300 0.265 0.000 1.263 946 D CA -0.080 54.116 54.000 0.327 0.000 0.936 946 D CB 0.110 41.105 40.800 0.326 0.000 1.053 946 D HN -0.020 nan 8.370 nan 0.000 0.507 947 R N 2.163 122.735 120.500 0.119 0.000 2.803 947 R HA 0.284 4.630 4.340 0.010 0.000 0.276 947 R C -0.309 175.703 176.300 -0.481 0.000 0.978 947 R CA -0.991 54.960 56.100 -0.248 0.000 0.939 947 R CB 0.858 31.078 30.300 -0.133 0.000 1.179 947 R HN 0.501 nan 8.270 nan 0.000 0.472 948 H N 1.436 119.901 119.070 -1.008 0.000 2.652 948 H HA 0.058 4.620 4.556 0.010 0.000 0.349 948 H C 0.974 176.126 175.328 -0.293 0.000 1.099 948 H CA -0.075 55.608 56.048 -0.607 0.000 1.417 948 H CB 0.864 30.293 29.762 -0.555 0.000 1.457 948 H HN 0.557 nan 8.280 nan 0.000 0.568 949 N N 2.290 120.589 118.700 -0.668 0.000 2.571 949 N HA -0.129 4.617 4.740 0.010 0.000 0.189 949 N C 0.694 175.970 175.510 -0.389 0.000 1.154 949 N CA 0.734 53.530 53.050 -0.423 0.000 0.907 949 N CB -0.050 38.287 38.487 -0.250 0.000 0.977 949 N HN 0.657 nan 8.380 nan 0.000 0.449 950 D N 0.556 120.663 120.400 -0.487 0.000 2.312 950 D HA -0.030 4.616 4.640 0.010 0.000 0.211 950 D C 0.001 176.178 176.300 -0.206 0.000 0.964 950 D CA 0.653 54.535 54.000 -0.197 0.000 0.877 950 D CB -0.274 40.558 40.800 0.052 0.000 0.924 950 D HN 0.439 nan 8.370 nan 0.000 0.515 951 N N -0.782 117.759 118.700 -0.265 0.000 2.279 951 N HA 0.248 4.994 4.740 0.010 0.000 0.226 951 N C -0.577 174.687 175.510 -0.410 0.000 1.126 951 N CA -0.018 52.850 53.050 -0.303 0.000 0.846 951 N CB 0.979 39.299 38.487 -0.278 0.000 1.050 951 N HN 0.147 nan 8.380 nan 0.000 0.502 952 I N 0.907 121.227 120.570 -0.416 0.000 2.466 952 I HA 0.361 4.537 4.170 0.010 0.000 0.289 952 I C -0.432 175.415 176.117 -0.450 0.000 1.026 952 I CA -0.540 60.459 61.300 -0.500 0.000 1.078 952 I CB 1.575 39.323 38.000 -0.419 0.000 1.249 952 I HN -0.130 nan 8.210 nan 0.000 0.429 953 M N 6.035 125.217 119.600 -0.696 0.000 2.811 953 M HA 0.650 5.136 4.480 0.010 0.000 0.303 953 M C -0.858 175.132 176.300 -0.517 0.000 1.227 953 M CA -0.869 54.013 55.300 -0.696 0.000 0.874 953 M CB 3.106 35.081 32.600 -1.041 0.000 1.681 953 M HN 0.466 nan 8.290 nan 0.000 0.500 954 I N -0.403 120.043 120.570 -0.207 0.000 2.752 954 I HA 0.322 4.498 4.170 0.010 0.000 0.295 954 I C -0.901 175.388 176.117 0.286 0.000 1.219 954 I CA -0.246 61.104 61.300 0.083 0.000 1.030 954 I CB 2.648 40.670 38.000 0.038 0.000 1.259 954 I HN 0.589 nan 8.210 nan 0.000 0.423 955 T N 4.640 119.443 114.554 0.416 0.000 2.904 955 T HA 0.168 4.524 4.350 0.010 0.000 0.290 955 T C 1.043 176.025 174.700 0.470 0.000 1.018 955 T CA -0.347 61.998 62.100 0.407 0.000 1.075 955 T CB 1.245 70.293 68.868 0.301 0.000 0.986 955 T HN 0.614 nan 8.240 nan 0.000 0.523 956 E N 0.879 121.319 120.200 0.401 0.000 2.273 956 E HA -0.115 4.241 4.350 0.010 0.000 0.198 956 E C 1.214 177.887 176.600 0.121 0.000 1.002 956 E CA 1.101 57.613 56.400 0.186 0.000 0.828 956 E CB 0.007 29.741 29.700 0.057 0.000 0.747 956 E HN 0.500 nan 8.360 nan 0.000 0.491 957 T N -0.993 113.659 114.554 0.164 0.000 3.122 957 T HA 0.232 4.588 4.350 0.010 0.000 0.250 957 T C 1.006 175.800 174.700 0.156 0.000 1.067 957 T CA 0.485 62.659 62.100 0.123 0.000 0.966 957 T CB 0.861 69.786 68.868 0.095 0.000 1.002 957 T HN 0.379 nan 8.240 nan 0.000 0.542 958 G N 2.258 111.200 108.800 0.237 0.000 2.159 958 G HA2 -0.234 3.732 3.960 0.010 0.000 0.227 958 G HA3 -0.234 3.732 3.960 0.010 0.000 0.227 958 G C -0.008 175.077 174.900 0.308 0.000 0.986 958 G CA -0.402 44.864 45.100 0.277 0.000 0.651 958 G HN 0.553 nan 8.290 nan 0.000 0.523 959 N N 0.425 119.292 118.700 0.278 0.000 2.402 959 N HA 0.454 5.200 4.740 0.010 0.000 0.259 959 N C 0.253 175.993 175.510 0.383 0.000 1.167 959 N CA -0.554 52.667 53.050 0.286 0.000 0.949 959 N CB 0.253 38.875 38.487 0.226 0.000 1.212 959 N HN 0.303 nan 8.380 nan 0.000 0.493 960 L N 5.479 126.880 121.223 0.298 0.000 2.371 960 L HA 0.520 4.866 4.340 0.010 0.000 0.272 960 L C -0.971 176.023 176.870 0.207 0.000 1.124 960 L CA 0.006 54.952 54.840 0.175 0.000 0.816 960 L CB 0.208 42.241 42.059 -0.044 0.000 1.129 960 L HN 0.456 nan 8.230 nan 0.000 0.448 961 F N 1.253 121.051 119.950 -0.253 0.000 2.650 961 F HA 0.472 5.005 4.527 0.010 0.000 0.310 961 F C -0.866 174.719 175.800 -0.358 0.000 1.112 961 F CA -0.993 56.646 58.000 -0.602 0.000 0.986 961 F CB 0.829 39.823 39.000 -0.010 0.000 1.285 961 F HN 0.435 nan 8.300 nan 0.000 0.440 962 H N 3.798 122.531 119.070 -0.561 0.000 2.562 962 H HA 0.703 5.265 4.556 0.010 0.000 0.352 962 H C -0.051 175.153 175.328 -0.206 0.000 1.125 962 H CA -0.211 55.689 56.048 -0.247 0.000 1.379 962 H CB 2.201 32.011 29.762 0.079 0.000 1.464 962 H HN 0.787 nan 8.280 nan 0.000 0.563 963 I N -1.887 118.451 120.570 -0.388 0.000 3.457 963 I HA 0.305 4.481 4.170 0.010 0.000 0.307 963 I C -0.756 175.012 176.117 -0.582 0.000 1.138 963 I CA -1.058 60.006 61.300 -0.393 0.000 0.974 963 I CB 2.234 40.062 38.000 -0.285 0.000 1.324 963 I HN 0.453 nan 8.210 nan 0.000 0.485 964 D N 1.170 121.384 120.400 -0.310 0.000 2.705 964 D HA -0.198 4.448 4.640 0.010 0.000 0.240 964 D C 0.258 176.496 176.300 -0.104 0.000 1.137 964 D CA 0.960 54.869 54.000 -0.152 0.000 0.677 964 D CB -1.289 39.422 40.800 -0.148 0.000 1.049 964 D HN 0.609 nan 8.370 nan 0.000 0.427 965 F N 0.040 120.093 119.950 0.171 0.000 2.367 965 F HA 0.051 4.584 4.527 0.010 0.000 0.298 965 F C 2.718 178.585 175.800 0.111 0.000 1.094 965 F CA 0.781 58.868 58.000 0.144 0.000 1.409 965 F CB 0.018 39.094 39.000 0.126 0.000 1.064 965 F HN 0.297 nan 8.300 nan 0.000 0.528 966 G N -0.599 108.352 108.800 0.252 0.000 2.440 966 G HA2 -0.294 3.672 3.960 0.010 0.000 0.218 966 G HA3 -0.294 3.672 3.960 0.010 0.000 0.218 966 G C 1.629 176.616 174.900 0.146 0.000 1.154 966 G CA 1.021 46.218 45.100 0.162 0.000 0.767 966 G HN 0.385 nan 8.290 nan 0.000 0.552 967 H N 0.332 119.441 119.070 0.064 0.000 2.290 967 H HA -0.012 4.550 4.556 0.010 0.000 0.298 967 H C 2.478 177.843 175.328 0.061 0.000 1.087 967 H CA 1.615 57.686 56.048 0.039 0.000 1.291 967 H CB -0.091 29.667 29.762 -0.008 0.000 1.369 967 H HN 0.343 nan 8.280 nan 0.000 0.492 968 I N 0.659 121.315 120.570 0.142 0.000 2.252 968 I HA -0.262 3.914 4.170 0.010 0.000 0.245 968 I C 2.237 178.468 176.117 0.190 0.000 1.102 968 I CA 0.874 62.255 61.300 0.136 0.000 1.385 968 I CB -0.125 37.999 38.000 0.207 0.000 1.064 968 I HN 0.229 nan 8.210 nan 0.000 0.414 969 L N 0.509 121.841 121.223 0.182 0.000 2.083 969 L HA -0.142 4.204 4.340 0.010 0.000 0.209 969 L C 2.551 179.470 176.870 0.082 0.000 1.083 969 L CA 1.463 56.380 54.840 0.128 0.000 0.752 969 L CB -1.186 40.913 42.059 0.067 0.000 0.899 969 L HN 0.361 nan 8.230 nan 0.000 0.433 970 G N -0.794 108.026 108.800 0.034 0.000 2.511 970 G HA2 -0.138 3.828 3.960 0.010 0.000 0.217 970 G HA3 -0.138 3.828 3.960 0.010 0.000 0.217 970 G C 1.120 176.009 174.900 -0.017 0.000 1.133 970 G CA 0.209 45.307 45.100 -0.003 0.000 0.792 970 G HN 0.348 nan 8.290 nan 0.000 0.539 971 N N -0.812 117.863 118.700 -0.041 0.000 2.282 971 N HA 0.146 4.892 4.740 0.010 0.000 0.240 971 N C -0.433 175.104 175.510 0.044 0.000 1.182 971 N CA -0.451 52.575 53.050 -0.040 0.000 0.874 971 N CB 0.718 39.103 38.487 -0.170 0.000 1.126 971 N HN 0.350 nan 8.380 nan 0.000 0.516 983 V N 1.556 121.473 119.914 0.006 0.000 2.932 983 V HA 0.357 4.483 4.120 0.010 0.000 0.307 983 V C -2.110 173.962 176.094 -0.037 0.000 1.147 983 V CA -1.861 60.408 62.300 -0.051 0.000 0.951 983 V CB 2.605 34.406 31.823 -0.036 0.000 1.031 983 V HN 0.649 nan 8.190 nan 0.000 0.426 984 P HA 0.123 nan 4.420 nan 0.000 0.222 984 P C -0.498 176.866 177.300 0.107 0.000 1.153 984 P CA 1.089 64.138 63.100 -0.085 0.000 0.798 984 P CB 0.045 31.432 31.700 -0.522 0.000 0.796 985 F N -5.927 114.146 119.950 0.205 0.000 3.122 985 F HA 0.436 4.969 4.527 0.010 0.000 0.325 985 F C -1.522 174.395 175.800 0.195 0.000 1.162 985 F CA -1.794 56.356 58.000 0.249 0.000 0.876 985 F CB 0.242 39.407 39.000 0.275 0.000 1.429 985 F HN -0.565 nan 8.300 nan 0.000 0.484 986 V N 2.285 122.555 119.914 0.593 0.000 2.334 986 V HA 0.576 4.702 4.120 0.010 0.000 0.267 986 V C -0.947 175.384 176.094 0.396 0.000 1.040 986 V CA -0.210 62.298 62.300 0.346 0.000 0.866 986 V CB 0.842 32.813 31.823 0.246 0.000 1.019 986 V HN 0.667 nan 8.190 nan 0.000 0.468 987 L N 6.647 127.994 121.223 0.206 0.000 2.489 987 L HA 0.525 4.871 4.340 0.010 0.000 0.257 987 L C 0.291 177.057 176.870 -0.174 0.000 1.215 987 L CA 0.175 55.115 54.840 0.167 0.000 0.915 987 L CB 1.520 43.774 42.059 0.325 0.000 1.146 987 L HN 0.708 nan 8.230 nan 0.000 0.494 988 T N 0.667 114.885 114.554 -0.560 0.000 2.927 988 T HA 0.532 4.888 4.350 0.010 0.000 0.281 988 T C -1.967 172.320 174.700 -0.687 0.000 0.998 988 T CA -1.851 59.752 62.100 -0.829 0.000 1.019 988 T CB 1.073 69.151 68.868 -1.316 0.000 1.061 988 T HN 0.200 nan 8.240 nan 0.000 0.518 989 P HA -0.218 nan 4.420 nan 0.000 0.218 989 P C 1.328 178.586 177.300 -0.070 0.000 1.152 989 P CA 1.530 64.391 63.100 -0.398 0.000 0.857 989 P CB -0.058 31.389 31.700 -0.423 0.000 0.787 990 D N -1.395 118.967 120.400 -0.063 0.000 2.117 990 D HA -0.183 4.463 4.640 0.010 0.000 0.198 990 D C 1.766 178.312 176.300 0.409 0.000 0.982 990 D CA 1.264 55.427 54.000 0.271 0.000 0.828 990 D CB -1.341 39.710 40.800 0.418 0.000 0.967 990 D HN 0.109 nan 8.370 nan 0.000 0.464 991 F N 0.905 120.921 119.950 0.111 0.000 2.146 991 F HA 0.078 4.611 4.527 0.010 0.000 0.298 991 F C 2.571 178.492 175.800 0.201 0.000 1.096 991 F CA 0.097 58.276 58.000 0.298 0.000 1.275 991 F CB -1.076 38.084 39.000 0.266 0.000 1.008 991 F HN -0.029 nan 8.300 nan 0.000 0.480 992 L N -1.585 119.778 121.223 0.233 0.000 2.141 992 L HA -0.228 4.118 4.340 0.010 0.000 0.209 992 L C 2.463 179.388 176.870 0.093 0.000 1.094 992 L CA 0.944 55.817 54.840 0.055 0.000 0.763 992 L CB -0.683 41.309 42.059 -0.111 0.000 0.908 992 L HN 0.039 nan 8.230 nan 0.000 0.437 993 F N 0.085 120.054 119.950 0.030 0.000 2.134 993 F HA -0.189 4.344 4.527 0.010 0.000 0.299 993 F C 2.220 178.035 175.800 0.025 0.000 1.097 993 F CA 1.368 59.386 58.000 0.031 0.000 1.264 993 F CB -0.170 38.869 39.000 0.065 0.000 1.001 993 F HN -0.252 nan 8.300 nan 0.000 0.479 994 V N 0.841 120.813 119.914 0.097 0.000 2.392 994 V HA -0.348 3.778 4.120 0.010 0.000 0.249 994 V C 2.196 178.200 176.094 -0.149 0.000 1.059 994 V CA 2.286 64.530 62.300 -0.093 0.000 1.051 994 V CB -0.717 30.902 31.823 -0.340 0.000 0.658 994 V HN 0.402 nan 8.190 nan 0.000 0.455 995 M N -0.178 119.415 119.600 -0.012 0.000 2.618 995 M HA 0.268 4.754 4.480 0.010 0.000 0.240 995 M C 1.264 177.570 176.300 0.010 0.000 1.123 995 M CA 0.956 56.280 55.300 0.040 0.000 1.060 995 M CB 0.089 32.803 32.600 0.190 0.000 1.535 995 M HN 0.462 nan 8.290 nan 0.000 0.507 996 G N 1.866 110.574 108.800 -0.153 0.000 2.370 996 G HA2 -0.165 3.801 3.960 0.010 0.000 0.268 996 G HA3 -0.165 3.801 3.960 0.010 0.000 0.268 996 G C -0.353 174.483 174.900 -0.107 0.000 1.122 996 G CA -0.001 44.980 45.100 -0.198 0.000 0.963 996 G HN 0.382 nan 8.290 nan 0.000 0.500 997 T N -0.414 114.069 114.554 -0.119 0.000 2.889 997 T HA 0.800 5.156 4.350 0.010 0.000 0.315 997 T C -0.340 174.327 174.700 -0.054 0.000 1.291 997 T CA 0.014 62.051 62.100 -0.105 0.000 1.028 997 T CB 2.188 70.918 68.868 -0.231 0.000 1.235 997 T HN 1.570 nan 8.240 nan 0.000 0.491 998 S N 0.377 116.054 115.700 -0.038 0.000 2.653 998 S HA 0.735 5.211 4.470 0.010 0.000 0.268 998 S C 0.365 174.952 174.600 -0.022 0.000 1.153 998 S CA -0.192 58.013 58.200 0.008 0.000 1.036 998 S CB 1.107 64.372 63.200 0.107 0.000 1.103 998 S HN 1.820 nan 8.310 nan 0.000 0.466 999 G N 2.084 110.854 108.800 -0.050 0.000 2.528 999 G HA2 0.145 4.111 3.960 0.010 0.000 0.262 999 G HA3 0.145 4.111 3.960 0.010 0.000 0.262 999 G C 0.249 175.117 174.900 -0.053 0.000 1.200 999 G CA 0.164 45.237 45.100 -0.043 0.000 0.951 999 G HN 1.938 nan 8.290 nan 0.000 0.566 1000 K N 0.706 121.091 120.400 -0.026 0.000 2.199 1000 K HA 0.573 4.899 4.320 0.010 0.000 0.226 1000 K C 0.557 177.151 176.600 -0.010 0.000 1.237 1000 K CA 1.547 57.825 56.287 -0.015 0.000 1.170 1000 K CB -0.591 31.908 32.500 -0.002 0.000 1.418 1000 K HN 0.827 nan 8.250 nan 0.000 0.255 1001 K N -0.881 119.503 120.400 -0.026 0.000 2.152 1001 K HA 0.705 5.031 4.320 0.010 0.000 0.257 1001 K C -0.480 176.122 176.600 0.003 0.000 0.961 1001 K CA -0.694 55.587 56.287 -0.010 0.000 0.816 1001 K CB 2.058 34.547 32.500 -0.017 0.000 1.501 1001 K HN 0.319 nan 8.250 nan 0.000 0.417 1002 T N -0.963 113.612 114.554 0.035 0.000 2.693 1002 T HA 0.550 4.906 4.350 0.010 0.000 0.304 1002 T C -1.949 172.825 174.700 0.123 0.000 1.471 1002 T CA -0.409 61.769 62.100 0.131 0.000 0.993 1002 T CB 1.594 70.567 68.868 0.176 0.000 1.554 1002 T HN 0.538 nan 8.240 nan 0.000 0.496 1003 S N 0.048 115.871 115.700 0.205 0.000 2.578 1003 S HA 0.558 5.034 4.470 0.010 0.000 0.272 1003 S C -2.458 172.235 174.600 0.155 0.000 1.145 1003 S CA -0.790 57.505 58.200 0.159 0.000 0.835 1003 S CB 1.386 64.681 63.200 0.158 0.000 1.104 1003 S HN 0.446 nan 8.310 nan 0.000 0.458 1004 P HA -0.127 nan 4.420 nan 0.000 0.214 1004 P C 1.258 178.547 177.300 -0.018 0.000 1.163 1004 P CA 1.463 64.556 63.100 -0.011 0.000 0.889 1004 P CB -0.120 31.524 31.700 -0.093 0.000 0.790 1005 H N -2.618 116.509 119.070 0.095 0.000 2.421 1005 H HA -0.094 4.468 4.556 0.010 0.000 0.298 1005 H C 1.950 177.388 175.328 0.184 0.000 1.087 1005 H CA 1.148 57.265 56.048 0.115 0.000 1.330 1005 H CB -0.732 29.090 29.762 0.100 0.000 1.388 1005 H HN 0.134 nan 8.280 nan 0.000 0.526 1006 F N 2.086 122.131 119.950 0.159 0.000 2.206 1006 F HA -0.111 4.422 4.527 0.010 0.000 0.298 1006 F C 2.394 178.288 175.800 0.157 0.000 1.090 1006 F CA 0.957 59.044 58.000 0.145 0.000 1.323 1006 F CB -0.118 38.933 39.000 0.085 0.000 1.028 1006 F HN 0.025 nan 8.300 nan 0.000 0.492 1007 Q N 0.225 120.028 119.800 0.004 0.000 2.096 1007 Q HA -0.251 4.095 4.340 0.010 0.000 0.204 1007 Q C 2.295 178.213 176.000 -0.137 0.000 0.982 1007 Q CA 1.976 57.712 55.803 -0.112 0.000 0.850 1007 Q CB -0.330 28.390 28.738 -0.029 0.000 0.901 1007 Q HN 0.386 nan 8.270 nan 0.000 0.422 1008 K N 0.280 120.638 120.400 -0.070 0.000 2.009 1008 K HA -0.214 4.112 4.320 0.010 0.000 0.210 1008 K C 1.911 178.417 176.600 -0.157 0.000 1.049 1008 K CA 1.442 57.670 56.287 -0.099 0.000 0.929 1008 K CB -0.256 32.216 32.500 -0.047 0.000 0.714 1008 K HN 0.101 nan 8.250 nan 0.000 0.440 1009 F N 2.205 122.019 119.950 -0.227 0.000 2.027 1009 F HA -0.333 4.199 4.527 0.010 0.000 0.297 1009 F C 2.273 177.880 175.800 -0.322 0.000 1.129 1009 F CA 2.095 59.938 58.000 -0.262 0.000 1.195 1009 F CB -0.558 38.365 39.000 -0.129 0.000 0.960 1009 F HN 0.180 nan 8.300 nan 0.000 0.485 1010 Q N -0.250 119.305 119.800 -0.407 0.000 2.029 1010 Q HA -0.322 4.024 4.340 0.010 0.000 0.209 1010 Q C 2.044 177.805 176.000 -0.399 0.000 0.999 1010 Q CA 2.123 57.663 55.803 -0.439 0.000 0.857 1010 Q CB -0.734 27.782 28.738 -0.369 0.000 0.926 1010 Q HN 0.519 nan 8.270 nan 0.000 0.415 1011 D N 0.087 120.299 120.400 -0.312 0.000 2.126 1011 D HA -0.172 4.474 4.640 0.010 0.000 0.190 1011 D C 1.816 177.915 176.300 -0.334 0.000 1.001 1011 D CA 1.493 55.338 54.000 -0.259 0.000 0.841 1011 D CB -0.165 40.517 40.800 -0.196 0.000 0.949 1011 D HN 0.078 nan 8.370 nan 0.000 0.446 1012 V N 0.075 119.726 119.914 -0.438 0.000 2.287 1012 V HA -0.317 3.809 4.120 0.010 0.000 0.248 1012 V C 2.978 178.719 176.094 -0.589 0.000 1.053 1012 V CA 1.753 63.732 62.300 -0.535 0.000 1.027 1012 V CB -0.762 30.620 31.823 -0.736 0.000 0.646 1012 V HN 0.415 nan 8.190 nan 0.000 0.447 1013 C N -0.507 118.366 119.300 -0.712 0.000 2.393 1013 C HA -0.162 4.304 4.460 0.010 0.000 0.276 1013 C C 2.773 177.356 174.990 -0.678 0.000 1.215 1013 C CA 1.181 59.727 59.018 -0.787 0.000 1.743 1013 C CB -0.992 26.258 27.740 -0.816 0.000 2.044 1013 C HN 0.450 nan 8.230 nan 0.000 0.464 1014 V N 1.001 120.634 119.914 -0.468 0.000 2.252 1014 V HA -0.290 3.836 4.120 0.010 0.000 0.249 1014 V C 2.456 178.425 176.094 -0.210 0.000 1.056 1014 V CA 2.120 64.256 62.300 -0.273 0.000 1.022 1014 V CB -0.662 31.064 31.823 -0.162 0.000 0.641 1014 V HN 0.586 nan 8.190 nan 0.000 0.445 1015 K N 0.101 120.362 120.400 -0.231 0.000 1.991 1015 K HA -0.186 4.140 4.320 0.010 0.000 0.212 1015 K C 2.366 178.866 176.600 -0.166 0.000 1.049 1015 K CA 1.621 57.807 56.287 -0.167 0.000 0.932 1015 K CB -0.614 31.780 32.500 -0.177 0.000 0.717 1015 K HN 0.456 nan 8.250 nan 0.000 0.441 1016 A N 1.001 123.626 122.820 -0.326 0.000 1.903 1016 A HA -0.256 4.070 4.320 0.010 0.000 0.219 1016 A C 2.145 179.801 177.584 0.120 0.000 1.191 1016 A CA 1.834 53.658 52.037 -0.355 0.000 0.638 1016 A CB -0.903 17.641 19.000 -0.760 0.000 0.823 1016 A HN 0.449 nan 8.150 nan 0.000 0.451 1017 Y N 0.434 120.587 120.300 -0.245 0.000 2.109 1017 Y HA -0.110 4.446 4.550 0.010 0.000 0.285 1017 Y C 2.034 177.872 175.900 -0.104 0.000 1.131 1017 Y CA 1.727 59.704 58.100 -0.205 0.000 1.121 1017 Y CB -0.573 37.563 38.460 -0.541 0.000 0.987 1017 Y HN 0.211 nan 8.280 nan 0.000 0.495 1018 L N -0.257 120.819 121.223 -0.244 0.000 2.187 1018 L HA -0.213 4.133 4.340 0.010 0.000 0.213 1018 L C 2.677 179.238 176.870 -0.515 0.000 1.100 1018 L CA 1.055 55.645 54.840 -0.417 0.000 0.765 1018 L CB -0.996 40.906 42.059 -0.261 0.000 0.904 1018 L HN 0.314 nan 8.230 nan 0.000 0.437 1019 A N 0.217 122.972 122.820 -0.109 0.000 1.898 1019 A HA -0.116 4.210 4.320 0.010 0.000 0.216 1019 A C 2.267 179.941 177.584 0.151 0.000 1.181 1019 A CA 1.173 53.317 52.037 0.179 0.000 0.620 1019 A CB -0.517 18.715 19.000 0.387 0.000 0.819 1019 A HN 0.343 nan 8.150 nan 0.000 0.442 1020 L N -1.027 120.246 121.223 0.085 0.000 2.093 1020 L HA -0.168 4.178 4.340 0.010 0.000 0.208 1020 L C 2.772 179.604 176.870 -0.063 0.000 1.085 1020 L CA 1.341 56.186 54.840 0.008 0.000 0.755 1020 L CB -0.514 41.560 42.059 0.026 0.000 0.904 1020 L HN 0.382 nan 8.230 nan 0.000 0.435 1021 R N -0.791 119.561 120.500 -0.247 0.000 2.193 1021 R HA -0.152 4.194 4.340 0.010 0.000 0.229 1021 R C 1.921 178.102 176.300 -0.198 0.000 1.110 1021 R CA 1.029 56.957 56.100 -0.286 0.000 0.988 1021 R CB -0.425 29.605 30.300 -0.451 0.000 0.871 1021 R HN 0.528 nan 8.270 nan 0.000 0.458 1022 H N -1.572 117.444 119.070 -0.089 0.000 2.545 1022 H HA -0.032 4.530 4.556 0.010 0.000 0.282 1022 H C 0.437 175.538 175.328 -0.378 0.000 1.020 1022 H CA 0.706 56.638 56.048 -0.193 0.000 1.243 1022 H CB 0.185 29.838 29.762 -0.180 0.000 1.377 1022 H HN 0.304 nan 8.280 nan 0.000 0.581 1023 H N -1.692 117.396 119.070 0.030 0.000 2.492 1023 H HA 0.132 4.695 4.556 0.010 0.000 0.264 1023 H C 1.303 176.613 175.328 -0.030 0.000 1.150 1023 H CA -0.127 55.919 56.048 -0.003 0.000 0.962 1023 H CB 0.678 30.427 29.762 -0.021 0.000 1.766 1023 H HN 0.112 nan 8.280 nan 0.000 0.589 1024 T N 0.562 115.125 114.554 0.016 0.000 2.620 1024 T HA -0.236 4.120 4.350 0.010 0.000 0.267 1024 T C 1.880 176.583 174.700 0.006 0.000 1.044 1024 T CA 1.940 64.031 62.100 -0.015 0.000 1.161 1024 T CB -0.071 68.768 68.868 -0.049 0.000 0.862 1024 T HN 0.482 nan 8.240 nan 0.000 0.438 1025 N N 1.037 119.745 118.700 0.014 0.000 2.084 1025 N HA 0.003 4.749 4.740 0.010 0.000 0.190 1025 N C 1.826 177.359 175.510 0.039 0.000 1.030 1025 N CA 0.601 53.666 53.050 0.024 0.000 0.849 1025 N CB -0.777 37.724 38.487 0.023 0.000 1.012 1025 N HN 0.272 nan 8.380 nan 0.000 0.423 1026 L N 0.199 121.455 121.223 0.055 0.000 1.990 1026 L HA -0.175 4.171 4.340 0.010 0.000 0.213 1026 L C 1.741 178.646 176.870 0.058 0.000 1.072 1026 L CA 1.388 56.263 54.840 0.058 0.000 0.755 1026 L CB -0.282 41.831 42.059 0.090 0.000 0.889 1026 L HN 0.135 nan 8.230 nan 0.000 0.432 1027 L N -0.100 121.152 121.223 0.049 0.000 2.083 1027 L HA -0.210 4.136 4.340 0.010 0.000 0.209 1027 L C 2.431 179.345 176.870 0.072 0.000 1.083 1027 L CA 1.682 56.546 54.840 0.040 0.000 0.752 1027 L CB -0.828 41.230 42.059 -0.001 0.000 0.899 1027 L HN 0.240 nan 8.230 nan 0.000 0.433 1028 I N -1.373 119.226 120.570 0.048 0.000 2.252 1028 I HA -0.285 3.891 4.170 0.010 0.000 0.245 1028 I C 2.367 178.553 176.117 0.117 0.000 1.102 1028 I CA 0.830 62.171 61.300 0.068 0.000 1.385 1028 I CB -0.087 37.927 38.000 0.023 0.000 1.064 1028 I HN 0.186 nan 8.210 nan 0.000 0.414 1029 I N 0.755 121.373 120.570 0.080 0.000 2.286 1029 I HA -0.232 3.944 4.170 0.010 0.000 0.245 1029 I C 2.201 178.367 176.117 0.081 0.000 1.104 1029 I CA 1.672 63.013 61.300 0.068 0.000 1.397 1029 I CB -0.171 37.857 38.000 0.047 0.000 1.072 1029 I HN 0.064 nan 8.210 nan 0.000 0.417 1030 L N -0.926 120.354 121.223 0.094 0.000 2.083 1030 L HA -0.210 4.136 4.340 0.010 0.000 0.209 1030 L C 2.450 179.380 176.870 0.099 0.000 1.083 1030 L CA 1.436 56.331 54.840 0.091 0.000 0.752 1030 L CB -0.828 41.287 42.059 0.094 0.000 0.899 1030 L HN 0.281 nan 8.230 nan 0.000 0.433 1031 F N 0.404 120.346 119.950 -0.013 0.000 2.084 1031 F HA -0.260 4.273 4.527 0.010 0.000 0.296 1031 F C 2.931 178.714 175.800 -0.028 0.000 1.111 1031 F CA 1.715 59.700 58.000 -0.025 0.000 1.224 1031 F CB -0.405 38.588 39.000 -0.011 0.000 0.991 1031 F HN 0.009 nan 8.300 nan 0.000 0.471 1032 S N 0.579 116.352 115.700 0.122 0.000 2.368 1032 S HA -0.331 4.145 4.470 0.010 0.000 0.226 1032 S C 2.152 176.713 174.600 -0.065 0.000 1.044 1032 S CA 2.252 60.445 58.200 -0.012 0.000 1.062 1032 S CB -0.509 62.702 63.200 0.017 0.000 0.931 1032 S HN 0.529 nan 8.310 nan 0.000 0.440 1033 M N 0.347 119.949 119.600 0.003 0.000 2.117 1033 M HA -0.102 4.384 4.480 0.010 0.000 0.262 1033 M C 2.483 178.786 176.300 0.005 0.000 1.065 1033 M CA 2.049 57.401 55.300 0.087 0.000 1.114 1033 M CB -0.463 32.225 32.600 0.145 0.000 1.361 1033 M HN 0.533 nan 8.290 nan 0.000 0.408 1034 M N 0.767 120.313 119.600 -0.091 0.000 2.082 1034 M HA -0.260 4.226 4.480 0.010 0.000 0.258 1034 M C 1.924 178.095 176.300 -0.214 0.000 1.069 1034 M CA 1.857 57.058 55.300 -0.165 0.000 1.102 1034 M CB -0.159 32.311 32.600 -0.217 0.000 1.336 1034 M HN 0.265 nan 8.290 nan 0.000 0.404 1035 L N -0.289 120.753 121.223 -0.302 0.000 2.027 1035 L HA -0.226 4.120 4.340 0.010 0.000 0.206 1035 L C 2.612 179.403 176.870 -0.132 0.000 1.074 1035 L CA 1.380 56.056 54.840 -0.275 0.000 0.745 1035 L CB -0.660 41.183 42.059 -0.360 0.000 0.898 1035 L HN 0.447 nan 8.230 nan 0.000 0.433 1036 M N -0.573 118.994 119.600 -0.054 0.000 2.159 1036 M HA -0.147 4.339 4.480 0.010 0.000 0.263 1036 M C 2.119 178.419 176.300 0.001 0.000 1.063 1036 M CA 2.222 57.550 55.300 0.048 0.000 1.110 1036 M CB -0.556 32.166 32.600 0.202 0.000 1.374 1036 M HN 0.427 nan 8.290 nan 0.000 0.411 1037 T N -4.264 110.257 114.554 -0.055 0.000 3.040 1037 T HA 0.277 4.633 4.350 0.010 0.000 0.250 1037 T C 1.338 175.950 174.700 -0.147 0.000 1.058 1037 T CA 0.579 62.586 62.100 -0.155 0.000 0.988 1037 T CB 0.394 69.120 68.868 -0.237 0.000 0.993 1037 T HN 0.409 nan 8.240 nan 0.000 0.519 1038 G N 1.422 110.144 108.800 -0.130 0.000 2.663 1038 G HA2 0.311 4.277 3.960 0.010 0.000 0.200 1038 G HA3 0.311 4.277 3.960 0.010 0.000 0.200 1038 G C 0.574 175.403 174.900 -0.118 0.000 1.114 1038 G CA -0.395 44.626 45.100 -0.132 0.000 0.861 1038 G HN 0.490 nan 8.290 nan 0.000 0.702 1039 M N 0.834 120.361 119.600 -0.123 0.000 2.126 1039 M HA 0.352 4.838 4.480 0.010 0.000 0.217 1039 M C -2.832 173.413 176.300 -0.091 0.000 0.873 1039 M CA -1.720 53.513 55.300 -0.111 0.000 0.707 1039 M CB 1.732 34.244 32.600 -0.147 0.000 1.515 1039 M HN -0.225 nan 8.290 nan 0.000 0.369 1040 P HA -0.228 nan 4.420 nan 0.000 0.217 1040 P C 1.668 178.945 177.300 -0.039 0.000 1.151 1040 P CA 1.739 64.803 63.100 -0.060 0.000 0.849 1040 P CB 0.000 31.662 31.700 -0.064 0.000 0.787 1041 Q N -0.887 118.892 119.800 -0.034 0.000 2.488 1041 Q HA -0.060 4.286 4.340 0.010 0.000 0.211 1041 Q C 0.268 176.258 176.000 -0.016 0.000 0.967 1041 Q CA 1.185 56.979 55.803 -0.014 0.000 0.926 1041 Q CB -0.440 28.296 28.738 -0.002 0.000 0.992 1041 Q HN 0.227 nan 8.270 nan 0.000 0.506 1042 L N 1.887 123.080 121.223 -0.049 0.000 2.913 1042 L HA 0.255 4.601 4.340 0.010 0.000 0.283 1042 L C 0.019 176.849 176.870 -0.067 0.000 1.336 1042 L CA 0.254 55.048 54.840 -0.077 0.000 0.815 1042 L CB 1.134 43.093 42.059 -0.167 0.000 1.188 1042 L HN 0.196 nan 8.230 nan 0.000 0.551 1043 T N -4.456 110.096 114.554 -0.004 0.000 3.339 1043 T HA 0.262 4.618 4.350 0.010 0.000 0.292 1043 T C 0.646 175.444 174.700 0.163 0.000 1.012 1043 T CA -0.012 62.119 62.100 0.052 0.000 0.937 1043 T CB 0.139 69.044 68.868 0.061 0.000 1.164 1043 T HN 0.232 nan 8.240 nan 0.000 0.509 1044 S N 0.628 116.401 115.700 0.122 0.000 2.645 1044 S HA 0.381 4.857 4.470 0.010 0.000 0.266 1044 S C 1.327 176.034 174.600 0.178 0.000 1.258 1044 S CA -0.823 57.482 58.200 0.175 0.000 0.990 1044 S CB 1.868 65.137 63.200 0.115 0.000 0.967 1044 S HN 0.336 nan 8.310 nan 0.000 0.556 1045 K N 0.412 120.946 120.400 0.224 0.000 2.063 1045 K HA -0.171 4.155 4.320 0.010 0.000 0.208 1045 K C 1.653 178.290 176.600 0.061 0.000 1.048 1045 K CA 1.835 58.194 56.287 0.120 0.000 0.928 1045 K CB -0.315 32.294 32.500 0.182 0.000 0.713 1045 K HN 0.692 nan 8.250 nan 0.000 0.442 1046 E N 0.997 121.253 120.200 0.093 0.000 2.110 1046 E HA -0.157 4.199 4.350 0.010 0.000 0.193 1046 E C 1.634 178.310 176.600 0.125 0.000 0.988 1046 E CA 1.431 57.891 56.400 0.101 0.000 0.804 1046 E CB -0.146 29.620 29.700 0.109 0.000 0.745 1046 E HN 0.350 nan 8.360 nan 0.000 0.458 1047 D N 0.184 120.646 120.400 0.104 0.000 2.078 1047 D HA -0.135 4.511 4.640 0.010 0.000 0.193 1047 D C 1.857 178.254 176.300 0.163 0.000 0.990 1047 D CA 0.827 54.883 54.000 0.095 0.000 0.827 1047 D CB -0.222 40.584 40.800 0.010 0.000 0.975 1047 D HN 0.113 nan 8.370 nan 0.000 0.451 1048 I N 1.173 121.787 120.570 0.072 0.000 2.335 1048 I HA -0.197 3.979 4.170 0.010 0.000 0.251 1048 I C 1.736 177.990 176.117 0.228 0.000 1.129 1048 I CA 1.258 62.610 61.300 0.086 0.000 1.402 1048 I CB -0.954 36.962 38.000 -0.139 0.000 1.069 1048 I HN 0.142 nan 8.210 nan 0.000 0.424 1049 E N -0.682 119.600 120.200 0.136 0.000 2.489 1049 E HA -0.140 4.216 4.350 0.010 0.000 0.193 1049 E C 1.871 178.511 176.600 0.067 0.000 1.057 1049 E CA -0.013 56.432 56.400 0.075 0.000 0.866 1049 E CB -0.109 29.605 29.700 0.023 0.000 0.916 1049 E HN 0.474 nan 8.360 nan 0.000 0.500 1050 Y N 1.417 121.743 120.300 0.043 0.000 2.151 1050 Y HA -0.278 4.278 4.550 0.010 0.000 0.284 1050 Y C 1.998 177.779 175.900 -0.197 0.000 1.166 1050 Y CA 1.593 59.672 58.100 -0.036 0.000 1.163 1050 Y CB -0.074 38.405 38.460 0.030 0.000 0.974 1050 Y HN 0.049 nan 8.280 nan 0.000 0.511 1051 I N 0.076 120.458 120.570 -0.314 0.000 2.614 1051 I HA -0.251 3.925 4.170 0.010 0.000 0.258 1051 I C 2.184 178.111 176.117 -0.315 0.000 1.189 1051 I CA 0.922 61.912 61.300 -0.516 0.000 1.462 1051 I CB -0.248 37.166 38.000 -0.976 0.000 1.092 1051 I HN 0.281 nan 8.210 nan 0.000 0.442 1052 R N 0.405 120.773 120.500 -0.219 0.000 2.073 1052 R HA -0.169 4.176 4.340 0.010 0.000 0.234 1052 R C 1.783 177.981 176.300 -0.170 0.000 1.134 1052 R CA 1.814 57.824 56.100 -0.149 0.000 0.952 1052 R CB -0.469 29.773 30.300 -0.098 0.000 0.850 1052 R HN 0.365 nan 8.270 nan 0.000 0.433 1053 D N 0.565 120.826 120.400 -0.232 0.000 2.117 1053 D HA -0.067 4.579 4.640 0.010 0.000 0.198 1053 D C 1.820 177.996 176.300 -0.206 0.000 0.982 1053 D CA 1.380 55.242 54.000 -0.229 0.000 0.828 1053 D CB -0.217 40.436 40.800 -0.245 0.000 0.967 1053 D HN 0.234 nan 8.370 nan 0.000 0.464 1054 A N 0.356 122.955 122.820 -0.370 0.000 1.972 1054 A HA -0.070 4.256 4.320 0.010 0.000 0.219 1054 A C 2.056 179.803 177.584 0.271 0.000 1.169 1054 A CA 0.781 52.708 52.037 -0.184 0.000 0.635 1054 A CB -0.506 18.181 19.000 -0.521 0.000 0.810 1054 A HN 0.234 nan 8.150 nan 0.000 0.446 1055 L N 0.763 122.034 121.223 0.079 0.000 2.629 1055 L HA 0.051 4.397 4.340 0.010 0.000 0.230 1055 L C 0.922 177.802 176.870 0.017 0.000 1.151 1055 L CA 0.512 55.407 54.840 0.092 0.000 0.924 1055 L CB -0.565 41.469 42.059 -0.041 0.000 1.137 1055 L HN 0.577 nan 8.230 nan 0.000 0.457 1056 T N -2.635 111.924 114.554 0.008 0.000 3.558 1056 T HA -0.203 4.153 4.350 0.010 0.000 0.391 1056 T C 0.250 174.891 174.700 -0.100 0.000 0.766 1056 T CA -0.175 61.858 62.100 -0.112 0.000 1.951 1056 T CB -2.765 66.027 68.868 -0.127 0.000 1.743 1056 T HN 0.008 nan 8.240 nan 0.000 0.688 1057 V N 1.483 121.340 119.914 -0.094 0.000 2.644 1057 V HA 0.404 4.530 4.120 0.010 0.000 0.305 1057 V C 1.821 177.873 176.094 -0.071 0.000 1.053 1057 V CA 1.284 63.536 62.300 -0.080 0.000 1.186 1057 V CB 0.080 31.860 31.823 -0.071 0.000 0.895 1057 V HN 1.995 nan 8.190 nan 0.000 0.490 1058 G N 3.912 112.676 108.800 -0.060 0.000 2.291 1058 G HA2 -0.171 3.795 3.960 0.010 0.000 0.271 1058 G HA3 -0.171 3.795 3.960 0.010 0.000 0.271 1058 G C -0.250 174.621 174.900 -0.047 0.000 1.099 1058 G CA -0.148 44.923 45.100 -0.047 0.000 0.919 1058 G HN 0.546 nan 8.290 nan 0.000 0.496 1059 K N -0.111 120.259 120.400 -0.050 0.000 2.469 1059 K HA 0.359 4.685 4.320 0.010 0.000 0.254 1059 K C 0.235 176.817 176.600 -0.030 0.000 0.939 1059 K CA -1.127 55.136 56.287 -0.039 0.000 0.812 1059 K CB 1.183 33.656 32.500 -0.046 0.000 1.301 1059 K HN 0.172 nan 8.250 nan 0.000 0.433 1060 N N 1.644 120.336 118.700 -0.013 0.000 2.305 1060 N HA -0.055 4.691 4.740 0.010 0.000 0.232 1060 N C 1.048 176.556 175.510 -0.005 0.000 1.274 1060 N CA 0.281 53.328 53.050 -0.005 0.000 0.870 1060 N CB 0.603 39.094 38.487 0.006 0.000 1.105 1060 N HN 0.487 nan 8.380 nan 0.000 0.436 1061 E N 1.075 121.271 120.200 -0.007 0.000 2.153 1061 E HA -0.181 4.175 4.350 0.010 0.000 0.194 1061 E C 0.971 177.585 176.600 0.023 0.000 0.988 1061 E CA 0.999 57.392 56.400 -0.010 0.000 0.811 1061 E CB 0.107 29.802 29.700 -0.007 0.000 0.746 1061 E HN 0.595 nan 8.360 nan 0.000 0.466 1062 E N 0.847 121.062 120.200 0.026 0.000 2.047 1062 E HA -0.164 4.192 4.350 0.010 0.000 0.191 1062 E C 1.762 178.398 176.600 0.060 0.000 0.987 1062 E CA 0.940 57.362 56.400 0.037 0.000 0.799 1062 E CB 0.028 29.744 29.700 0.027 0.000 0.752 1062 E HN 0.180 nan 8.360 nan 0.000 0.449 1063 D N 0.715 121.148 120.400 0.055 0.000 2.097 1063 D HA -0.148 4.498 4.640 0.010 0.000 0.195 1063 D C 1.941 178.321 176.300 0.133 0.000 0.989 1063 D CA 1.351 55.395 54.000 0.074 0.000 0.827 1063 D CB -0.316 40.509 40.800 0.041 0.000 0.966 1063 D HN 0.142 nan 8.370 nan 0.000 0.456 1064 A N 1.280 124.176 122.820 0.127 0.000 1.883 1064 A HA -0.256 4.070 4.320 0.010 0.000 0.217 1064 A C 2.091 179.889 177.584 0.357 0.000 1.186 1064 A CA 2.192 54.373 52.037 0.240 0.000 0.624 1064 A CB -0.616 18.452 19.000 0.114 0.000 0.822 1064 A HN 0.232 nan 8.150 nan 0.000 0.444 1065 K N -0.018 120.512 120.400 0.216 0.000 2.032 1065 K HA -0.215 4.111 4.320 0.010 0.000 0.209 1065 K C 1.941 178.647 176.600 0.176 0.000 1.048 1065 K CA 1.930 58.328 56.287 0.184 0.000 0.927 1065 K CB -0.237 32.314 32.500 0.085 0.000 0.712 1065 K HN 0.464 nan 8.250 nan 0.000 0.441 1066 K N -0.545 119.945 120.400 0.149 0.000 2.211 1066 K HA -0.181 4.145 4.320 0.010 0.000 0.203 1066 K C 2.072 178.757 176.600 0.141 0.000 1.050 1066 K CA 1.362 57.719 56.287 0.117 0.000 0.945 1066 K CB -0.249 32.308 32.500 0.095 0.000 0.732 1066 K HN 0.305 nan 8.250 nan 0.000 0.451 1067 Y N 0.275 120.626 120.300 0.085 0.000 2.145 1067 Y HA -0.268 4.288 4.550 0.010 0.000 0.286 1067 Y C 2.029 177.918 175.900 -0.018 0.000 1.145 1067 Y CA 1.424 59.559 58.100 0.059 0.000 1.148 1067 Y CB -0.155 38.381 38.460 0.126 0.000 0.981 1067 Y HN -0.039 nan 8.280 nan 0.000 0.507 1068 F N 0.141 119.978 119.950 -0.189 0.000 2.146 1068 F HA -0.187 4.346 4.527 0.010 0.000 0.298 1068 F C 1.970 177.595 175.800 -0.292 0.000 1.096 1068 F CA 1.408 59.140 58.000 -0.447 0.000 1.275 1068 F CB -0.344 38.364 39.000 -0.487 0.000 1.008 1068 F HN -0.004 nan 8.300 nan 0.000 0.480 1069 L N -0.211 121.030 121.223 0.030 0.000 2.042 1069 L HA -0.273 4.073 4.340 0.010 0.000 0.210 1069 L C 2.034 178.864 176.870 -0.066 0.000 1.076 1069 L CA 1.428 56.275 54.840 0.012 0.000 0.749 1069 L CB -0.841 41.236 42.059 0.030 0.000 0.893 1069 L HN 0.088 nan 8.230 nan 0.000 0.432 1070 D N -0.551 119.770 120.400 -0.131 0.000 2.123 1070 D HA -0.183 4.463 4.640 0.010 0.000 0.196 1070 D C 2.387 178.524 176.300 -0.272 0.000 0.992 1070 D CA 0.944 54.847 54.000 -0.162 0.000 0.833 1070 D CB -0.156 40.550 40.800 -0.156 0.000 0.954 1070 D HN 0.287 nan 8.370 nan 0.000 0.455 1071 Q N 0.164 119.668 119.800 -0.493 0.000 2.084 1071 Q HA -0.066 4.280 4.340 0.010 0.000 0.202 1071 Q C 2.599 178.325 176.000 -0.458 0.000 0.978 1071 Q CA 0.564 55.973 55.803 -0.655 0.000 0.844 1071 Q CB -0.249 27.805 28.738 -1.141 0.000 0.898 1071 Q HN 0.447 nan 8.270 nan 0.000 0.426 1072 I N 1.034 121.508 120.570 -0.160 0.000 2.286 1072 I HA -0.240 3.936 4.170 0.010 0.000 0.248 1072 I C 2.065 178.233 176.117 0.085 0.000 1.115 1072 I CA 1.034 62.440 61.300 0.176 0.000 1.392 1072 I CB -0.233 37.969 38.000 0.336 0.000 1.065 1072 I HN 0.131 nan 8.210 nan 0.000 0.418 1073 E N 0.497 120.703 120.200 0.011 0.000 2.152 1073 E HA -0.104 4.252 4.350 0.010 0.000 0.192 1073 E C 2.429 178.990 176.600 -0.065 0.000 0.983 1073 E CA 0.825 57.229 56.400 0.006 0.000 0.818 1073 E CB -0.250 29.456 29.700 0.009 0.000 0.758 1073 E HN 0.321 nan 8.360 nan 0.000 0.467 1074 V N 0.758 120.587 119.914 -0.141 0.000 2.392 1074 V HA -0.302 3.824 4.120 0.010 0.000 0.249 1074 V C 2.492 178.491 176.094 -0.158 0.000 1.059 1074 V CA 1.578 63.783 62.300 -0.159 0.000 1.051 1074 V CB -0.601 31.089 31.823 -0.220 0.000 0.658 1074 V HN 0.311 nan 8.190 nan 0.000 0.455 1075 C N -0.313 118.873 119.300 -0.189 0.000 2.446 1075 C HA -0.097 4.369 4.460 0.010 0.000 0.277 1075 C C 2.898 177.818 174.990 -0.118 0.000 1.275 1075 C CA 0.550 59.474 59.018 -0.158 0.000 1.727 1075 C CB -1.122 26.550 27.740 -0.112 0.000 2.010 1075 C HN 0.499 nan 8.230 nan 0.000 0.486 1076 R N 1.265 121.718 120.500 -0.078 0.000 2.094 1076 R HA -0.149 4.197 4.340 0.010 0.000 0.239 1076 R C 1.532 177.773 176.300 -0.098 0.000 1.137 1076 R CA 1.835 57.878 56.100 -0.095 0.000 0.943 1076 R CB -0.980 29.283 30.300 -0.062 0.000 0.850 1076 R HN 0.542 nan 8.270 nan 0.000 0.433 1077 D N 0.480 120.834 120.400 -0.076 0.000 2.218 1077 D HA -0.096 4.550 4.640 0.010 0.000 0.204 1077 D C 1.698 177.960 176.300 -0.064 0.000 0.976 1077 D CA 1.011 54.974 54.000 -0.062 0.000 0.853 1077 D CB -0.007 40.763 40.800 -0.050 0.000 0.939 1077 D HN 0.096 nan 8.370 nan 0.000 0.481 1078 K N -0.024 120.327 120.400 -0.082 0.000 2.262 1078 K HA 0.118 4.444 4.320 0.010 0.000 0.200 1078 K C 1.586 178.137 176.600 -0.082 0.000 1.049 1078 K CA 0.685 56.930 56.287 -0.071 0.000 0.979 1078 K CB 0.104 32.559 32.500 -0.075 0.000 0.773 1078 K HN 0.175 nan 8.250 nan 0.000 0.474 1079 G N 1.236 109.946 108.800 -0.150 0.000 2.660 1079 G HA2 -0.332 3.634 3.960 0.010 0.000 0.321 1079 G HA3 -0.332 3.634 3.960 0.010 0.000 0.321 1079 G C 0.489 175.198 174.900 -0.319 0.000 1.246 1079 G CA 0.610 45.564 45.100 -0.243 0.000 1.000 1079 G HN 0.473 nan 8.290 nan 0.000 0.550 1080 W N 1.516 122.766 121.300 -0.082 0.000 3.278 1080 W HA 0.366 5.032 4.660 0.010 0.000 0.308 1080 W C 2.682 179.189 176.519 -0.019 0.000 1.253 1080 W CA 0.569 57.849 57.345 -0.107 0.000 1.759 1080 W CB 0.108 29.525 29.460 -0.073 0.000 1.093 1080 W HN 0.483 nan 8.180 nan 0.000 0.648 1081 T N 0.447 115.101 114.554 0.168 0.000 2.684 1081 T HA -0.230 4.126 4.350 0.010 0.000 0.267 1081 T C 1.829 176.650 174.700 0.201 0.000 1.036 1081 T CA 1.781 63.983 62.100 0.169 0.000 1.148 1081 T CB -0.595 68.319 68.868 0.076 0.000 0.863 1081 T HN -0.059 nan 8.240 nan 0.000 0.436 1082 V N 1.331 121.317 119.914 0.120 0.000 2.453 1082 V HA -0.112 4.014 4.120 0.010 0.000 0.247 1082 V C 2.762 178.991 176.094 0.226 0.000 1.048 1082 V CA 1.196 63.547 62.300 0.084 0.000 1.049 1082 V CB -0.631 31.231 31.823 0.065 0.000 0.672 1082 V HN 0.336 nan 8.190 nan 0.000 0.457 1083 Q N -0.456 119.511 119.800 0.278 0.000 2.077 1083 Q HA -0.230 4.116 4.340 0.010 0.000 0.206 1083 Q C 2.139 178.427 176.000 0.479 0.000 0.989 1083 Q CA 2.019 58.013 55.803 0.317 0.000 0.853 1083 Q CB -0.719 27.958 28.738 -0.101 0.000 0.907 1083 Q HN 0.654 nan 8.270 nan 0.000 0.418 1084 F N 2.320 122.455 119.950 0.308 0.000 2.126 1084 F HA -0.242 4.291 4.527 0.010 0.000 0.299 1084 F C 1.664 177.665 175.800 0.334 0.000 1.096 1084 F CA 1.537 59.763 58.000 0.377 0.000 1.255 1084 F CB -0.293 38.848 39.000 0.235 0.000 0.997 1084 F HN 0.111 nan 8.300 nan 0.000 0.479 1085 N N -0.326 118.452 118.700 0.131 0.000 2.106 1085 N HA -0.204 4.542 4.740 0.010 0.000 0.188 1085 N C 1.767 177.263 175.510 -0.023 0.000 1.029 1085 N CA 1.792 54.797 53.050 -0.075 0.000 0.848 1085 N CB -1.073 37.333 38.487 -0.135 0.000 1.007 1085 N HN 0.490 nan 8.380 nan 0.000 0.423 1086 W N 0.506 121.872 121.300 0.110 0.000 2.338 1086 W HA -0.148 4.519 4.660 0.011 0.000 0.304 1086 W C 2.073 178.520 176.519 -0.120 0.000 1.212 1086 W CA 0.355 57.718 57.345 0.030 0.000 1.264 1086 W CB -0.569 29.017 29.460 0.210 0.000 1.142 1086 W HN 0.023 nan 8.180 nan 0.000 0.512 1087 F N 0.575 120.634 119.950 0.182 0.000 2.102 1087 F HA -0.243 4.290 4.527 0.010 0.000 0.298 1087 F C 2.129 177.894 175.800 -0.058 0.000 1.105 1087 F CA 1.825 59.870 58.000 0.075 0.000 1.239 1087 F CB -0.733 38.421 39.000 0.256 0.000 0.991 1087 F HN -0.264 nan 8.300 nan 0.000 0.474 1088 L N -0.542 120.705 121.223 0.040 0.000 2.013 1088 L HA -0.303 4.043 4.340 0.010 0.000 0.212 1088 L C 2.697 179.499 176.870 -0.113 0.000 1.073 1088 L CA 1.843 56.626 54.840 -0.094 0.000 0.753 1088 L CB -1.189 40.766 42.059 -0.174 0.000 0.890 1088 L HN 0.322 nan 8.230 nan 0.000 0.432 1089 H N 0.331 119.324 119.070 -0.128 0.000 2.261 1089 H HA -0.113 4.449 4.556 0.010 0.000 0.301 1089 H C 2.163 177.429 175.328 -0.103 0.000 1.067 1089 H CA 1.861 57.860 56.048 -0.081 0.000 1.297 1089 H CB 0.084 29.839 29.762 -0.012 0.000 1.377 1089 H HN 0.104 nan 8.280 nan 0.000 0.492 1090 L N -0.039 121.256 121.223 0.120 0.000 2.179 1090 L HA -0.059 4.287 4.340 0.010 0.000 0.208 1090 L C 2.863 179.612 176.870 -0.201 0.000 1.096 1090 L CA 0.511 55.342 54.840 -0.016 0.000 0.779 1090 L CB -0.469 41.491 42.059 -0.164 0.000 0.922 1090 L HN 0.076 nan 8.230 nan 0.000 0.443 1091 V N -0.613 119.055 119.914 -0.410 0.000 2.535 1091 V HA -0.119 4.007 4.120 0.010 0.000 0.246 1091 V C 1.835 177.691 176.094 -0.395 0.000 1.045 1091 V CA 1.790 63.767 62.300 -0.539 0.000 1.058 1091 V CB -0.033 31.045 31.823 -1.241 0.000 0.689 1091 V HN 0.482 nan 8.190 nan 0.000 0.461 1092 L N -2.622 118.388 121.223 -0.355 0.000 2.666 1092 L HA 0.841 5.187 4.340 0.010 0.000 0.184 1092 L C 0.940 177.714 176.870 -0.161 0.000 1.092 1092 L CA 1.001 55.712 54.840 -0.214 0.000 0.857 1092 L CB -0.103 41.848 42.059 -0.180 0.000 1.281 1092 L HN 0.125 nan 8.230 nan 0.000 0.489 1093 G N 1.005 109.698 108.800 -0.179 0.000 2.594 1093 G HA2 0.221 4.187 3.960 0.010 0.000 0.422 1093 G HA3 0.221 4.187 3.960 0.010 0.000 0.422 1093 G C -1.044 173.737 174.900 -0.198 0.000 1.190 1093 G CA -0.244 44.731 45.100 -0.209 0.000 1.234 1093 G HN 0.277 nan 8.290 nan 0.000 0.584 1094 I N 0.000 120.431 120.570 -0.232 0.000 2.984 1094 I HA 0.000 4.176 4.170 0.010 0.000 0.288 1094 I CA 0.000 61.202 61.300 -0.163 0.000 1.566 1094 I CB 0.000 37.938 38.000 -0.103 0.000 1.214 1094 I HN 0.000 nan 8.210 nan 0.000 0.494