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 3cst_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM AXXXXXXXXX XXXXEQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXCDRKFR VKIRGIDIPV LPRNTDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXLLY YVNLLLIDHR FLLRRGEYVL HMWQISGXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN XXHPIAXXXX XXXXXXXXXX DATA SEQUENCE XRAEMPNQLR 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 SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGXF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHXXXXX XXXXXXXXER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWF 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 0.000 176.308 176.300 0.014 0.000 1.140 143 M CA 0.000 55.309 55.300 0.015 0.000 0.988 143 M CB 0.000 32.608 32.600 0.014 0.000 1.302 144 S N 2.093 117.798 115.700 0.009 0.000 2.561 144 S HA -0.004 4.471 4.470 0.009 0.000 0.294 144 S C 1.101 175.711 174.600 0.016 0.000 1.294 144 S CA 0.127 58.331 58.200 0.007 0.000 1.055 144 S CB 0.279 63.478 63.200 -0.002 0.000 0.819 144 S HN 0.594 nan 8.310 nan 0.000 0.503 145 E N 1.613 121.823 120.200 0.015 0.000 2.333 145 E HA -0.158 4.197 4.350 0.009 0.000 0.198 145 E C 1.708 178.326 176.600 0.030 0.000 1.007 145 E CA 0.701 57.114 56.400 0.022 0.000 0.845 145 E CB 0.065 29.775 29.700 0.016 0.000 0.766 145 E HN 0.613 nan 8.360 nan 0.000 0.507 146 E N 0.304 120.518 120.200 0.023 0.000 2.047 146 E HA -0.113 4.242 4.350 0.009 0.000 0.191 146 E C 2.026 178.659 176.600 0.054 0.000 0.987 146 E CA 1.371 57.786 56.400 0.025 0.000 0.799 146 E CB -0.086 29.611 29.700 -0.006 0.000 0.752 146 E HN 0.280 nan 8.360 nan 0.000 0.449 147 S N 0.254 115.980 115.700 0.045 0.000 2.399 147 S HA -0.190 4.286 4.470 0.009 0.000 0.231 147 S C 1.967 176.651 174.600 0.141 0.000 1.022 147 S CA 1.147 59.400 58.200 0.089 0.000 0.983 147 S CB -0.311 62.921 63.200 0.054 0.000 0.803 147 S HN 0.219 nan 8.310 nan 0.000 0.480 148 Q N 1.201 121.054 119.800 0.089 0.000 2.123 148 Q HA 0.226 4.572 4.340 0.009 0.000 0.199 148 Q C 2.493 178.541 176.000 0.080 0.000 0.966 148 Q CA 1.280 57.126 55.803 0.071 0.000 0.845 148 Q CB -0.482 28.282 28.738 0.043 0.000 0.907 148 Q HN 0.759 nan 8.270 nan 0.000 0.439 149 A N -0.173 122.703 122.820 0.093 0.000 2.066 149 A HA -0.129 4.197 4.320 0.009 0.000 0.218 149 A C 1.709 179.381 177.584 0.147 0.000 1.157 149 A CA 0.697 52.789 52.037 0.093 0.000 0.670 149 A CB -0.426 18.622 19.000 0.081 0.000 0.804 149 A HN 0.440 nan 8.150 nan 0.000 0.453 150 F N 0.278 120.232 119.950 0.006 0.000 2.219 150 F HA -0.001 4.532 4.527 0.009 0.000 0.294 150 F C 2.206 178.012 175.800 0.009 0.000 1.086 150 F CA 1.770 59.776 58.000 0.009 0.000 1.330 150 F CB -0.295 38.708 39.000 0.006 0.000 1.047 150 F HN 0.290 nan 8.300 nan 0.000 0.495 151 Q N 1.003 120.827 119.800 0.040 0.000 2.291 151 Q HA -0.177 4.168 4.340 0.009 0.000 0.206 151 Q C 2.309 178.247 176.000 -0.103 0.000 0.976 151 Q CA 1.599 57.352 55.803 -0.084 0.000 0.875 151 Q CB -0.462 28.286 28.738 0.017 0.000 0.927 151 Q HN 0.515 nan 8.270 nan 0.000 0.450 152 R N -0.668 119.801 120.500 -0.051 0.000 2.062 152 R HA -0.098 4.247 4.340 0.009 0.000 0.226 152 R C 2.239 178.498 176.300 -0.069 0.000 1.125 152 R CA 1.358 57.432 56.100 -0.043 0.000 0.966 152 R CB -0.237 30.060 30.300 -0.005 0.000 0.861 152 R HN 0.406 nan 8.270 nan 0.000 0.433 153 Q N 0.669 120.418 119.800 -0.085 0.000 2.020 153 Q HA -0.175 4.171 4.340 0.009 0.000 0.202 153 Q C 2.271 178.180 176.000 -0.151 0.000 0.982 153 Q CA 1.869 57.619 55.803 -0.089 0.000 0.838 153 Q CB -0.102 28.603 28.738 -0.056 0.000 0.899 153 Q HN 0.431 nan 8.270 nan 0.000 0.423 154 L N 0.054 121.091 121.223 -0.310 0.000 1.971 154 L HA -0.268 4.078 4.340 0.009 0.000 0.215 154 L C 2.582 179.368 176.870 -0.140 0.000 1.072 154 L CA 1.934 56.607 54.840 -0.279 0.000 0.758 154 L CB -1.033 40.787 42.059 -0.397 0.000 0.889 154 L HN 0.294 nan 8.230 nan 0.000 0.433 155 T N -0.094 114.387 114.554 -0.122 0.000 2.721 155 T HA -0.297 4.058 4.350 0.009 0.000 0.268 155 T C 1.905 176.576 174.700 -0.049 0.000 1.038 155 T CA 1.582 63.637 62.100 -0.075 0.000 1.145 155 T CB -0.366 68.456 68.868 -0.077 0.000 0.858 155 T HN 0.517 nan 8.240 nan 0.000 0.459 156 A N 0.659 123.453 122.820 -0.043 0.000 1.930 156 A HA 0.088 4.413 4.320 0.009 0.000 0.217 156 A C 2.302 179.887 177.584 0.001 0.000 1.175 156 A CA 1.031 53.059 52.037 -0.014 0.000 0.627 156 A CB -0.648 18.350 19.000 -0.004 0.000 0.815 156 A HN 0.486 nan 8.150 nan 0.000 0.443 157 L N -0.704 120.519 121.223 0.000 0.000 2.072 157 L HA -0.099 4.247 4.340 0.009 0.000 0.205 157 L C 2.422 179.263 176.870 -0.050 0.000 1.079 157 L CA 1.007 55.878 54.840 0.051 0.000 0.752 157 L CB -0.367 41.755 42.059 0.104 0.000 0.906 157 L HN 0.367 nan 8.230 nan 0.000 0.436 158 I N -0.605 119.914 120.570 -0.086 0.000 2.233 158 I HA -0.134 4.042 4.170 0.009 0.000 0.243 158 I C 1.671 177.736 176.117 -0.086 0.000 1.093 158 I CA 1.203 62.420 61.300 -0.139 0.000 1.380 158 I CB -0.464 37.501 38.000 -0.059 0.000 1.067 158 I HN 0.481 nan 8.210 nan 0.000 0.413 159 G N -0.171 108.622 108.800 -0.013 0.000 2.141 159 G HA2 -0.299 3.667 3.960 0.009 0.000 0.231 159 G HA3 -0.299 3.667 3.960 0.009 0.000 0.231 159 G C -0.156 174.828 174.900 0.139 0.000 0.984 159 G CA -0.093 45.028 45.100 0.035 0.000 0.660 159 G HN 0.337 nan 8.290 nan 0.000 0.525 160 Y N -0.027 120.243 120.300 -0.050 0.000 2.558 160 Y HA 0.535 5.090 4.550 0.010 0.000 0.333 160 Y C -1.597 174.279 175.900 -0.040 0.000 1.125 160 Y CA -1.304 56.774 58.100 -0.036 0.000 1.039 160 Y CB 2.037 40.478 38.460 -0.031 0.000 1.331 160 Y HN 0.031 nan 8.280 nan 0.000 0.456 161 D N 3.477 123.547 120.400 -0.551 0.000 2.380 161 D HA 0.199 4.845 4.640 0.009 0.000 0.230 161 D C 0.834 176.976 176.300 -0.265 0.000 1.154 161 D CA 0.022 53.821 54.000 -0.335 0.000 0.859 161 D CB 1.235 41.843 40.800 -0.320 0.000 1.045 161 D HN 0.477 nan 8.370 nan 0.000 0.495 162 V N 2.080 121.978 119.914 -0.026 0.000 3.444 162 V HA -0.011 4.115 4.120 0.009 0.000 0.271 162 V C 1.432 177.535 176.094 0.016 0.000 1.188 162 V CA 1.497 63.837 62.300 0.067 0.000 1.168 162 V CB -1.087 30.776 31.823 0.068 0.000 0.810 162 V HN 0.616 nan 8.190 nan 0.000 0.500 163 T N -2.872 111.661 114.554 -0.035 0.000 3.023 163 T HA 0.137 4.493 4.350 0.009 0.000 0.253 163 T C 0.535 175.214 174.700 -0.036 0.000 1.038 163 T CA 0.373 62.460 62.100 -0.021 0.000 0.962 163 T CB -0.291 68.562 68.868 -0.024 0.000 1.018 163 T HN 0.614 nan 8.240 nan 0.000 0.521 164 D N 1.701 122.051 120.400 -0.083 0.000 2.414 164 D HA 0.223 4.868 4.640 0.009 0.000 0.242 164 D C 0.855 177.142 176.300 -0.021 0.000 1.129 164 D CA 0.039 53.981 54.000 -0.097 0.000 0.885 164 D CB 1.210 41.868 40.800 -0.237 0.000 1.198 164 D HN 0.201 nan 8.370 nan 0.000 0.437 165 V N 0.289 120.197 119.914 -0.010 0.000 3.070 165 V HA 0.248 4.374 4.120 0.009 0.000 0.355 165 V C 1.091 177.194 176.094 0.016 0.000 1.400 165 V CA -0.247 62.065 62.300 0.020 0.000 1.170 165 V CB -0.080 31.760 31.823 0.028 0.000 1.169 165 V HN 0.455 nan 8.190 nan 0.000 0.554 166 S N 1.723 117.424 115.700 0.001 0.000 2.383 166 S HA -0.071 4.404 4.470 0.009 0.000 0.227 166 S C 1.328 175.925 174.600 -0.004 0.000 1.026 166 S CA 2.187 60.382 58.200 -0.008 0.000 0.981 166 S CB -0.290 62.894 63.200 -0.026 0.000 0.818 166 S HN 0.743 nan 8.310 nan 0.000 0.472 167 N N 1.168 119.876 118.700 0.014 0.000 2.806 167 N HA 0.290 5.036 4.740 0.009 0.000 0.315 167 N C -0.930 174.576 175.510 -0.006 0.000 1.738 167 N CA -0.308 52.740 53.050 -0.003 0.000 0.993 167 N CB 0.524 39.010 38.487 -0.003 0.000 1.324 167 N HN 0.123 nan 8.380 nan 0.000 0.493 168 V N -1.434 118.487 119.914 0.012 0.000 3.130 168 V HA 0.581 4.707 4.120 0.009 0.000 0.310 168 V C 0.303 176.450 176.094 0.089 0.000 1.158 168 V CA -0.768 61.531 62.300 -0.002 0.000 1.029 168 V CB 1.873 33.723 31.823 0.045 0.000 1.057 168 V HN 0.486 nan 8.190 nan 0.000 0.436 169 H N -0.558 118.590 119.070 0.130 0.000 3.367 169 H HA 0.542 5.103 4.556 0.009 0.000 0.257 169 H C -0.503 174.940 175.328 0.191 0.000 1.201 169 H CA 0.196 56.342 56.048 0.163 0.000 1.102 169 H CB 0.918 30.812 29.762 0.221 0.000 1.656 169 H HN 0.858 nan 8.280 nan 0.000 0.662 170 D N 0.357 121.006 120.400 0.414 0.000 2.865 170 D HA -0.018 4.627 4.640 0.009 0.000 0.343 170 D C -0.617 175.827 176.300 0.239 0.000 1.372 170 D CA -0.423 53.783 54.000 0.343 0.000 0.862 170 D CB 0.337 41.400 40.800 0.437 0.000 1.425 170 D HN 0.052 nan 8.370 nan 0.000 0.501 171 D N -1.172 119.372 120.400 0.239 0.000 2.559 171 D HA 0.091 4.736 4.640 0.009 0.000 0.234 171 D C 0.747 177.098 176.300 0.085 0.000 1.226 171 D CA -0.269 53.836 54.000 0.175 0.000 0.830 171 D CB 0.271 41.187 40.800 0.192 0.000 1.028 171 D HN 0.561 nan 8.370 nan 0.000 0.492 172 E N 0.738 120.937 120.200 -0.001 0.000 2.038 172 E HA -0.170 4.185 4.350 0.009 0.000 0.195 172 E C 1.908 178.568 176.600 0.101 0.000 1.000 172 E CA 0.937 57.205 56.400 -0.220 0.000 0.803 172 E CB 0.027 29.726 29.700 -0.001 0.000 0.750 172 E HN 0.297 nan 8.360 nan 0.000 0.448 173 L N 0.911 122.241 121.223 0.179 0.000 1.978 173 L HA -0.262 4.084 4.340 0.009 0.000 0.218 173 L C 2.797 179.715 176.870 0.079 0.000 1.075 173 L CA 1.456 56.350 54.840 0.091 0.000 0.767 173 L CB -0.609 41.459 42.059 0.015 0.000 0.890 173 L HN 0.193 nan 8.230 nan 0.000 0.434 174 E N -0.289 119.967 120.200 0.093 0.000 2.077 174 E HA -0.244 4.111 4.350 0.009 0.000 0.193 174 E C 1.998 178.666 176.600 0.113 0.000 0.989 174 E CA 1.265 57.720 56.400 0.093 0.000 0.800 174 E CB -0.319 29.445 29.700 0.107 0.000 0.746 174 E HN 0.368 nan 8.360 nan 0.000 0.452 175 F N 1.759 121.698 119.950 -0.018 0.000 2.091 175 F HA -0.245 4.287 4.527 0.009 0.000 0.299 175 F C 2.294 178.095 175.800 0.002 0.000 1.103 175 F CA 1.993 59.984 58.000 -0.017 0.000 1.228 175 F CB -0.626 38.277 39.000 -0.161 0.000 0.984 175 F HN -0.046 nan 8.300 nan 0.000 0.477 176 T N 0.800 115.343 114.554 -0.020 0.000 2.821 176 T HA -0.149 4.207 4.350 0.009 0.000 0.267 176 T C 2.043 176.694 174.700 -0.081 0.000 1.046 176 T CA 1.483 63.539 62.100 -0.073 0.000 1.139 176 T CB -0.258 68.653 68.868 0.072 0.000 0.871 176 T HN 0.270 nan 8.240 nan 0.000 0.454 177 R N 0.904 121.384 120.500 -0.034 0.000 2.080 177 R HA -0.028 4.318 4.340 0.009 0.000 0.236 177 R C 2.782 179.055 176.300 -0.046 0.000 1.137 177 R CA 1.371 57.459 56.100 -0.020 0.000 0.943 177 R CB -0.240 30.064 30.300 0.007 0.000 0.846 177 R HN 0.366 nan 8.270 nan 0.000 0.431 178 R N -0.237 120.220 120.500 -0.071 0.000 2.073 178 R HA -0.089 4.257 4.340 0.009 0.000 0.234 178 R C 2.494 178.710 176.300 -0.140 0.000 1.134 178 R CA 1.376 57.425 56.100 -0.085 0.000 0.952 178 R CB -0.683 29.569 30.300 -0.081 0.000 0.850 178 R HN 0.359 nan 8.270 nan 0.000 0.433 179 G N 1.346 109.989 108.800 -0.263 0.000 2.475 179 G HA2 -0.231 3.735 3.960 0.009 0.000 0.220 179 G HA3 -0.231 3.735 3.960 0.009 0.000 0.220 179 G C 1.383 176.209 174.900 -0.123 0.000 1.125 179 G CA 0.618 45.556 45.100 -0.271 0.000 0.755 179 G HN 0.167 nan 8.290 nan 0.000 0.565 180 L N 0.474 121.649 121.223 -0.080 0.000 2.478 180 L HA 0.023 4.369 4.340 0.009 0.000 0.223 180 L C 2.775 179.637 176.870 -0.014 0.000 1.140 180 L CA -0.229 54.595 54.840 -0.027 0.000 0.842 180 L CB -0.258 41.800 42.059 -0.002 0.000 0.953 180 L HN 0.055 nan 8.230 nan 0.000 0.452 181 V N 0.074 119.974 119.914 -0.024 0.000 2.231 181 V HA -0.364 3.762 4.120 0.009 0.000 0.250 181 V C 2.581 178.670 176.094 -0.008 0.000 1.058 181 V CA 2.634 64.928 62.300 -0.011 0.000 1.022 181 V CB -0.982 30.833 31.823 -0.014 0.000 0.640 181 V HN 0.477 nan 8.190 nan 0.000 0.445 182 T N 0.281 114.827 114.554 -0.013 0.000 2.607 182 T HA -0.150 4.206 4.350 0.009 0.000 0.267 182 T C 0.087 174.788 174.700 0.001 0.000 1.049 182 T CA 2.366 64.462 62.100 -0.006 0.000 1.162 182 T CB -1.403 67.461 68.868 -0.007 0.000 0.863 182 T HN 0.451 nan 8.240 nan 0.000 0.424 183 P HA -0.098 nan 4.420 nan 0.000 0.216 183 P C 1.487 178.795 177.300 0.014 0.000 1.150 183 P CA 1.192 64.302 63.100 0.018 0.000 0.843 183 P CB -0.032 31.684 31.700 0.027 0.000 0.787 184 R N -0.032 120.475 120.500 0.012 0.000 2.082 184 R HA -0.101 4.245 4.340 0.009 0.000 0.228 184 R C 2.201 178.495 176.300 -0.010 0.000 1.140 184 R CA 2.207 58.311 56.100 0.008 0.000 0.920 184 R CB -1.008 29.298 30.300 0.009 0.000 0.828 184 R HN 0.014 nan 8.270 nan 0.000 0.430 185 M N 0.441 120.034 119.600 -0.011 0.000 2.144 185 M HA -0.186 4.300 4.480 0.009 0.000 0.260 185 M C 2.492 178.780 176.300 -0.020 0.000 1.067 185 M CA 1.947 57.235 55.300 -0.019 0.000 1.095 185 M CB -0.505 32.087 32.600 -0.014 0.000 1.365 185 M HN 0.477 nan 8.290 nan 0.000 0.406 186 A N -0.160 122.654 122.820 -0.010 0.000 1.972 186 A HA -0.191 4.135 4.320 0.009 0.000 0.219 186 A C 1.992 179.567 177.584 -0.014 0.000 1.169 186 A CA 2.073 54.106 52.037 -0.007 0.000 0.635 186 A CB -0.507 18.495 19.000 0.004 0.000 0.810 186 A HN 0.451 nan 8.150 nan 0.000 0.446 187 E N -0.284 119.905 120.200 -0.019 0.000 2.060 187 E HA -0.042 4.314 4.350 0.009 0.000 0.189 187 E C 1.868 178.425 176.600 -0.071 0.000 0.974 187 E CA 1.180 57.561 56.400 -0.032 0.000 0.808 187 E CB -0.409 29.279 29.700 -0.021 0.000 0.768 187 E HN 0.196 nan 8.360 nan 0.000 0.453 188 V N 1.429 121.293 119.914 -0.083 0.000 2.231 188 V HA -0.350 3.775 4.120 0.009 0.000 0.248 188 V C 2.446 178.476 176.094 -0.107 0.000 1.054 188 V CA 2.253 64.476 62.300 -0.129 0.000 1.015 188 V CB -1.237 30.526 31.823 -0.100 0.000 0.638 188 V HN 0.461 nan 8.190 nan 0.000 0.444 189 A N -0.684 122.096 122.820 -0.065 0.000 1.948 189 A HA -0.283 4.042 4.320 0.009 0.000 0.220 189 A C 2.538 180.098 177.584 -0.040 0.000 1.177 189 A CA 2.547 54.556 52.037 -0.046 0.000 0.636 189 A CB -0.788 18.195 19.000 -0.029 0.000 0.815 189 A HN 0.546 nan 8.150 nan 0.000 0.449 190 S N -0.287 115.390 115.700 -0.038 0.000 2.461 190 S HA -0.076 4.399 4.470 0.009 0.000 0.228 190 S C 1.168 175.751 174.600 -0.028 0.000 1.005 190 S CA 0.360 58.545 58.200 -0.024 0.000 0.942 190 S CB -0.375 62.818 63.200 -0.012 0.000 0.776 190 S HN 0.712 nan 8.310 nan 0.000 0.514 191 R N 1.616 122.079 120.500 -0.061 0.000 2.401 191 R HA 0.219 4.565 4.340 0.009 0.000 0.299 191 R C -0.831 175.453 176.300 -0.026 0.000 1.064 191 R CA -0.251 55.812 56.100 -0.061 0.000 1.000 191 R CB -0.029 30.166 30.300 -0.177 0.000 0.973 191 R HN 0.056 nan 8.270 nan 0.000 0.438 192 D N 5.835 126.250 120.400 0.026 0.000 2.368 192 D HA 0.021 4.667 4.640 0.009 0.000 0.268 192 D C -1.148 175.202 176.300 0.084 0.000 1.298 192 D CA -1.832 52.195 54.000 0.046 0.000 0.938 192 D CB 1.158 41.991 40.800 0.054 0.000 1.101 192 D HN 0.429 nan 8.370 nan 0.000 0.509 193 P HA -0.251 nan 4.420 nan 0.000 0.217 193 P C 0.919 178.282 177.300 0.105 0.000 1.148 193 P CA 1.327 64.488 63.100 0.101 0.000 0.834 193 P CB 0.327 32.059 31.700 0.053 0.000 0.783 194 K N -0.342 120.095 120.400 0.062 0.000 1.991 194 K HA -0.013 4.313 4.320 0.009 0.000 0.207 194 K C 2.442 179.053 176.600 0.018 0.000 1.045 194 K CA 1.098 57.400 56.287 0.025 0.000 0.937 194 K CB -0.623 31.887 32.500 0.017 0.000 0.720 194 K HN 0.178 nan 8.250 nan 0.000 0.438 195 L N 0.040 121.296 121.223 0.055 0.000 2.141 195 L HA -0.189 4.157 4.340 0.009 0.000 0.209 195 L C 2.484 179.411 176.870 0.096 0.000 1.094 195 L CA 0.905 55.780 54.840 0.059 0.000 0.763 195 L CB -0.408 41.699 42.059 0.080 0.000 0.908 195 L HN 0.197 nan 8.230 nan 0.000 0.437 196 Y N 0.707 121.021 120.300 0.024 0.000 2.242 196 Y HA -0.212 4.344 4.550 0.009 0.000 0.291 196 Y C 2.406 178.341 175.900 0.058 0.000 1.137 196 Y CA 1.013 59.141 58.100 0.047 0.000 1.181 196 Y CB -0.230 38.248 38.460 0.030 0.000 0.989 196 Y HN 0.092 nan 8.280 nan 0.000 0.527 197 A N -0.014 122.758 122.820 -0.080 0.000 1.929 197 A HA -0.116 4.209 4.320 0.009 0.000 0.216 197 A C 2.134 179.622 177.584 -0.160 0.000 1.176 197 A CA 1.774 53.712 52.037 -0.166 0.000 0.628 197 A CB -0.601 18.338 19.000 -0.101 0.000 0.816 197 A HN 0.527 nan 8.150 nan 0.000 0.444 198 M N 0.302 119.769 119.600 -0.222 0.000 2.495 198 M HA 0.040 4.526 4.480 0.009 0.000 0.237 198 M C 0.302 176.346 176.300 -0.427 0.000 1.131 198 M CA 0.295 55.337 55.300 -0.429 0.000 1.032 198 M CB -0.250 32.072 32.600 -0.463 0.000 1.513 198 M HN 0.739 nan 8.290 nan 0.000 0.488 199 H N 0.068 119.101 119.070 -0.061 0.000 2.151 199 H HA -0.096 4.466 4.556 0.009 0.000 0.329 199 H C -2.387 173.010 175.328 0.115 0.000 0.945 199 H CA -0.222 55.829 56.048 0.004 0.000 1.093 199 H CB -2.157 27.564 29.762 -0.068 0.000 1.568 199 H HN 0.243 nan 8.280 nan 0.000 0.360 200 P HA -0.137 nan 4.420 nan 0.000 0.266 200 P C 0.136 177.596 177.300 0.266 0.000 1.180 200 P CA 0.276 63.475 63.100 0.166 0.000 0.765 200 P CB 0.529 32.345 31.700 0.193 0.000 0.806 201 W N 5.090 126.469 121.300 0.132 0.000 2.278 201 W HA 0.453 5.118 4.660 0.009 0.000 0.317 201 W C -1.685 174.846 176.519 0.020 0.000 1.030 201 W CA -0.837 56.576 57.345 0.115 0.000 1.334 201 W CB 0.358 29.924 29.460 0.177 0.000 1.215 201 W HN 0.073 nan 8.180 nan 0.000 0.405 202 V N 4.431 124.489 119.914 0.239 0.000 3.040 202 V HA 0.666 4.791 4.120 0.009 0.000 0.312 202 V C -0.229 175.885 176.094 0.032 0.000 1.115 202 V CA -0.863 61.386 62.300 -0.084 0.000 0.998 202 V CB 2.120 33.747 31.823 -0.326 0.000 1.042 202 V HN 0.371 nan 8.190 nan 0.000 0.433 203 T N 0.081 114.602 114.554 -0.056 0.000 2.900 203 T HA 0.398 4.753 4.350 0.009 0.000 0.295 203 T C 0.441 175.122 174.700 -0.033 0.000 1.044 203 T CA -0.147 61.949 62.100 -0.007 0.000 0.995 203 T CB 1.944 70.801 68.868 -0.019 0.000 1.072 203 T HN 0.568 nan 8.240 nan 0.000 0.473 204 S N 2.054 117.750 115.700 -0.007 0.000 2.535 204 S HA 0.208 4.683 4.470 0.009 0.000 0.214 204 S C 0.505 175.099 174.600 -0.010 0.000 0.980 204 S CA -0.160 58.033 58.200 -0.011 0.000 0.907 204 S CB 0.004 63.205 63.200 0.001 0.000 0.790 204 S HN 0.608 nan 8.310 nan 0.000 0.510 205 K N 3.042 123.434 120.400 -0.013 0.000 2.295 205 K HA 0.200 4.526 4.320 0.009 0.000 0.270 205 K C -2.467 174.120 176.600 -0.022 0.000 1.011 205 K CA -1.388 54.890 56.287 -0.015 0.000 0.953 205 K CB -0.094 32.394 32.500 -0.019 0.000 0.956 205 K HN 0.107 nan 8.250 nan 0.000 0.477 206 P HA 0.003 nan 4.420 nan 0.000 0.272 206 P C -0.387 176.889 177.300 -0.040 0.000 1.230 206 P CA -0.312 62.793 63.100 0.007 0.000 0.788 206 P CB 0.676 32.398 31.700 0.037 0.000 0.949 207 L N 3.562 124.754 121.223 -0.051 0.000 2.410 207 L HA 0.172 4.518 4.340 0.009 0.000 0.273 207 L C -1.534 175.216 176.870 -0.200 0.000 1.144 207 L CA -1.704 52.992 54.840 -0.240 0.000 0.863 207 L CB 0.713 42.418 42.059 -0.590 0.000 1.140 207 L HN 0.321 nan 8.230 nan 0.000 0.463 208 P HA -0.014 nan 4.420 nan 0.000 0.269 208 P C 0.083 177.169 177.300 -0.356 0.000 1.217 208 P CA -0.135 62.671 63.100 -0.490 0.000 0.783 208 P CB 0.783 31.794 31.700 -1.148 0.000 0.898 209 E N 0.744 120.822 120.200 -0.202 0.000 2.085 209 E HA -0.215 4.141 4.350 0.009 0.000 0.194 209 E C 1.674 178.286 176.600 0.020 0.000 0.994 209 E CA 1.520 57.937 56.400 0.028 0.000 0.801 209 E CB -0.660 29.072 29.700 0.053 0.000 0.743 209 E HN 0.641 nan 8.360 nan 0.000 0.453 210 Y N -0.545 119.795 120.300 0.067 0.000 2.680 210 Y HA 0.050 4.606 4.550 0.009 0.000 0.303 210 Y C 1.471 177.363 175.900 -0.014 0.000 1.166 210 Y CA 0.397 58.511 58.100 0.023 0.000 1.344 210 Y CB -0.341 38.120 38.460 0.001 0.000 1.002 210 Y HN -0.028 nan 8.280 nan 0.000 0.537 211 L N -2.463 118.702 121.223 -0.096 0.000 2.672 211 L HA 0.128 4.474 4.340 0.009 0.000 0.236 211 L C 1.327 178.105 176.870 -0.153 0.000 1.092 211 L CA 0.077 54.846 54.840 -0.118 0.000 0.887 211 L CB -0.064 41.831 42.059 -0.273 0.000 1.168 211 L HN 0.295 nan 8.230 nan 0.000 0.502 212 W N 1.479 122.725 121.300 -0.089 0.000 2.518 212 W HA -0.116 4.550 4.660 0.009 0.000 0.273 212 W C 2.611 179.103 176.519 -0.044 0.000 1.247 212 W CA 0.498 57.801 57.345 -0.070 0.000 1.288 212 W CB 0.293 29.709 29.460 -0.072 0.000 1.107 212 W HN -0.010 nan 8.180 nan 0.000 0.586 213 K N 1.867 122.380 120.400 0.189 0.000 2.113 213 K HA -0.252 4.074 4.320 0.009 0.000 0.208 213 K C 1.486 178.136 176.600 0.083 0.000 1.047 213 K CA 1.800 58.159 56.287 0.120 0.000 0.928 213 K CB -0.707 31.848 32.500 0.093 0.000 0.716 213 K HN 0.195 nan 8.250 nan 0.000 0.446 214 K N 0.295 120.726 120.400 0.051 0.000 2.487 214 K HA 0.069 4.395 4.320 0.009 0.000 0.192 214 K C -0.152 176.457 176.600 0.015 0.000 1.027 214 K CA 0.050 56.348 56.287 0.019 0.000 1.054 214 K CB 0.321 32.807 32.500 -0.023 0.000 0.824 214 K HN 0.097 nan 8.250 nan 0.000 0.510 215 I N 1.573 122.181 120.570 0.063 0.000 2.782 215 I HA 0.186 4.362 4.170 0.009 0.000 0.279 215 I C -0.421 175.808 176.117 0.186 0.000 1.247 215 I CA -0.273 61.078 61.300 0.086 0.000 1.062 215 I CB 0.842 38.879 38.000 0.061 0.000 1.421 215 I HN -0.074 nan 8.210 nan 0.000 0.558 216 A N 4.811 127.694 122.820 0.106 0.000 2.965 216 A HA 0.373 4.699 4.320 0.009 0.000 0.304 216 A C 0.765 178.382 177.584 0.055 0.000 1.214 216 A CA -0.194 51.892 52.037 0.081 0.000 0.977 216 A CB -0.459 18.577 19.000 0.061 0.000 1.127 216 A HN 0.659 nan 8.150 nan 0.000 0.572 217 N N -0.633 118.102 118.700 0.057 0.000 1.958 217 N HA -0.067 4.678 4.740 0.009 0.000 0.223 217 N C 0.083 175.611 175.510 0.029 0.000 1.395 217 N CA 0.142 53.215 53.050 0.038 0.000 0.737 217 N CB -0.543 37.973 38.487 0.048 0.000 1.155 217 N HN 0.255 nan 8.380 nan 0.000 0.529 218 N N 0.459 119.198 118.700 0.064 0.000 2.696 218 N HA -0.182 4.563 4.740 0.009 0.000 0.249 218 N C -1.327 174.191 175.510 0.013 0.000 1.090 218 N CA 0.870 53.969 53.050 0.082 0.000 0.716 218 N CB -1.641 36.874 38.487 0.047 0.000 1.020 218 N HN 0.476 nan 8.380 nan 0.000 0.548 219 C N 0.480 119.740 119.300 -0.068 0.000 2.626 219 C HA 0.748 5.214 4.460 0.009 0.000 0.310 219 C C 0.240 174.962 174.990 -0.447 0.000 1.191 219 C CA -0.806 58.100 59.018 -0.188 0.000 1.517 219 C CB 1.687 29.346 27.740 -0.134 0.000 2.102 219 C HN 0.283 nan 8.230 nan 0.000 0.479 220 I N 2.084 122.369 120.570 -0.475 0.000 2.533 220 I HA 0.396 4.571 4.170 0.009 0.000 0.290 220 I C -1.047 174.769 176.117 -0.502 0.000 1.056 220 I CA -0.282 60.666 61.300 -0.586 0.000 1.057 220 I CB 1.336 39.159 38.000 -0.295 0.000 1.240 220 I HN 0.520 nan 8.210 nan 0.000 0.423 221 F N 6.216 126.138 119.950 -0.047 0.000 2.404 221 F HA 0.439 4.972 4.527 0.009 0.000 0.358 221 F C 0.142 175.890 175.800 -0.087 0.000 1.120 221 F CA -0.793 57.174 58.000 -0.056 0.000 1.144 221 F CB 0.493 39.462 39.000 -0.052 0.000 1.133 221 F HN 0.096 nan 8.300 nan 0.000 0.495 222 I N 4.466 125.072 120.570 0.060 0.000 2.354 222 I HA 0.248 4.424 4.170 0.009 0.000 0.292 222 I C -0.270 175.815 176.117 -0.053 0.000 0.989 222 I CA -0.958 60.322 61.300 -0.032 0.000 1.188 222 I CB 1.404 39.365 38.000 -0.065 0.000 1.342 222 I HN 0.230 nan 8.210 nan 0.000 0.457 223 V N 7.497 127.332 119.914 -0.133 0.000 2.320 223 V HA 0.320 4.445 4.120 0.009 0.000 0.265 223 V C 0.447 176.546 176.094 0.008 0.000 1.048 223 V CA -0.372 61.856 62.300 -0.120 0.000 0.865 223 V CB 0.595 32.203 31.823 -0.358 0.000 1.043 223 V HN 0.426 nan 8.190 nan 0.000 0.474 224 I N 5.275 125.825 120.570 -0.034 0.000 2.301 224 I HA 0.335 4.511 4.170 0.009 0.000 0.292 224 I C 0.209 176.322 176.117 -0.006 0.000 1.046 224 I CA -0.353 60.896 61.300 -0.085 0.000 1.282 224 I CB 0.318 38.092 38.000 -0.376 0.000 1.409 224 I HN 0.562 nan 8.210 nan 0.000 0.484 225 H N 5.762 124.785 119.070 -0.078 0.000 2.505 225 H HA 0.534 5.095 4.556 0.009 0.000 0.355 225 H C 0.067 175.360 175.328 -0.058 0.000 1.179 225 H CA -0.475 55.554 56.048 -0.031 0.000 1.343 225 H CB 0.957 30.713 29.762 -0.010 0.000 1.501 225 H HN 0.314 nan 8.280 nan 0.000 0.569 226 R N 1.763 122.309 120.500 0.077 0.000 2.797 226 R HA 0.181 4.527 4.340 0.009 0.000 0.230 226 R C -0.446 175.877 176.300 0.038 0.000 1.591 226 R CA 0.172 56.293 56.100 0.035 0.000 1.501 226 R CB -0.402 29.934 30.300 0.060 0.000 1.524 226 R HN 0.950 nan 8.270 nan 0.000 0.711 227 S N -0.836 114.890 115.700 0.043 0.000 4.158 227 S HA -0.231 4.245 4.470 0.009 0.000 0.621 227 S C 1.013 175.643 174.600 0.050 0.000 1.867 227 S CA 1.816 60.038 58.200 0.037 0.000 4.249 227 S CB -0.957 62.258 63.200 0.026 0.000 0.202 227 S HN 0.524 nan 8.310 nan 0.000 0.457 228 T N 2.704 117.278 114.554 0.033 0.000 3.044 228 T HA 0.278 4.633 4.350 0.009 0.000 0.250 228 T C 0.740 175.440 174.700 0.000 0.000 1.081 228 T CA 1.046 63.160 62.100 0.023 0.000 1.040 228 T CB -0.052 68.827 68.868 0.018 0.000 0.962 228 T HN 0.695 nan 8.240 nan 0.000 0.506 229 T N 2.990 117.546 114.554 0.002 0.000 2.726 229 T HA 0.452 4.807 4.350 0.009 0.000 0.294 229 T C 0.139 174.773 174.700 -0.109 0.000 1.013 229 T CA -0.517 61.573 62.100 -0.017 0.000 0.996 229 T CB 0.609 69.497 68.868 0.034 0.000 1.016 229 T HN 0.403 nan 8.240 nan 0.000 0.529 230 S N -0.038 115.592 115.700 -0.117 0.000 2.243 230 S HA 0.222 4.697 4.470 0.009 0.000 0.296 230 S C -1.011 173.527 174.600 -0.103 0.000 0.803 230 S CA -1.013 57.036 58.200 -0.252 0.000 0.898 230 S CB 0.468 63.353 63.200 -0.526 0.000 1.230 230 S HN 0.598 nan 8.310 nan 0.000 0.420 231 Q N 1.584 121.380 119.800 -0.007 0.000 2.394 231 Q HA 0.819 5.164 4.340 0.009 0.000 0.166 231 Q C -0.096 175.916 176.000 0.019 0.000 1.037 231 Q CA 0.091 55.924 55.803 0.050 0.000 1.023 231 Q CB 0.782 29.633 28.738 0.187 0.000 2.067 231 Q HN 0.868 nan 8.270 nan 0.000 0.502 232 T N 0.567 115.152 114.554 0.052 0.000 4.487 232 T HA 0.283 4.639 4.350 0.009 0.000 0.232 232 T C -0.975 173.777 174.700 0.087 0.000 0.941 232 T CA -0.450 61.672 62.100 0.037 0.000 1.315 232 T CB -0.331 68.532 68.868 -0.007 0.000 0.851 232 T HN 0.344 nan 8.240 nan 0.000 0.559 233 I N 2.401 123.038 120.570 0.111 0.000 2.943 233 I HA 0.021 4.196 4.170 0.009 0.000 0.296 233 I C 0.776 176.965 176.117 0.120 0.000 1.220 233 I CA 0.320 61.694 61.300 0.124 0.000 1.409 233 I CB 0.089 38.178 38.000 0.149 0.000 1.374 233 I HN 0.185 nan 8.210 nan 0.000 0.545 234 K N 5.580 126.064 120.400 0.140 0.000 2.322 234 K HA 0.532 4.858 4.320 0.009 0.000 0.283 234 K C -0.835 175.796 176.600 0.053 0.000 1.042 234 K CA -0.338 56.042 56.287 0.156 0.000 0.958 234 K CB 0.612 33.236 32.500 0.206 0.000 0.984 234 K HN 0.454 nan 8.250 nan 0.000 0.473 235 V N 1.645 121.548 119.914 -0.019 0.000 3.113 235 V HA 0.391 4.516 4.120 0.009 0.000 0.316 235 V C -0.550 175.511 176.094 -0.055 0.000 1.125 235 V CA -1.086 61.196 62.300 -0.031 0.000 1.026 235 V CB 1.877 33.676 31.823 -0.041 0.000 1.080 235 V HN 0.775 nan 8.190 nan 0.000 0.444 236 S N 1.079 116.767 115.700 -0.021 0.000 2.437 236 S HA 0.446 4.922 4.470 0.009 0.000 0.305 236 S C -1.856 172.748 174.600 0.007 0.000 1.109 236 S CA -1.534 56.665 58.200 -0.002 0.000 1.099 236 S CB 1.532 64.745 63.200 0.022 0.000 1.004 236 S HN 0.563 nan 8.310 nan 0.000 0.475 237 P HA -0.150 nan 4.420 nan 0.000 0.220 237 P C 0.716 178.046 177.300 0.049 0.000 1.142 237 P CA 1.014 64.120 63.100 0.010 0.000 0.801 237 P CB 0.171 31.903 31.700 0.053 0.000 0.764 238 D N -1.343 119.098 120.400 0.068 0.000 2.301 238 D HA -0.055 4.591 4.640 0.009 0.000 0.206 238 D C -0.009 176.327 176.300 0.060 0.000 0.979 238 D CA 0.240 54.282 54.000 0.070 0.000 0.874 238 D CB -0.173 40.668 40.800 0.068 0.000 0.968 238 D HN 0.048 nan 8.370 nan 0.000 0.510 239 D N 1.114 121.542 120.400 0.046 0.000 2.525 239 D HA -0.013 4.632 4.640 0.009 0.000 0.235 239 D C 0.148 176.484 176.300 0.060 0.000 1.137 239 D CA 0.688 54.714 54.000 0.044 0.000 0.868 239 D CB 0.857 41.672 40.800 0.025 0.000 1.180 239 D HN -0.053 nan 8.370 nan 0.000 0.465 240 T N 2.834 117.429 114.554 0.068 0.000 2.913 240 T HA 0.204 4.559 4.350 0.009 0.000 0.287 240 T C -1.416 173.320 174.700 0.060 0.000 1.008 240 T CA -1.355 60.803 62.100 0.096 0.000 1.067 240 T CB 1.462 70.386 68.868 0.093 0.000 0.996 240 T HN 0.133 nan 8.240 nan 0.000 0.513 241 P HA 0.005 nan 4.420 nan 0.000 0.218 241 P C 1.544 178.846 177.300 0.004 0.000 1.149 241 P CA 0.594 63.679 63.100 -0.025 0.000 0.817 241 P CB 0.027 31.695 31.700 -0.053 0.000 0.785 242 G N -0.387 108.444 108.800 0.053 0.000 2.511 242 G HA2 -0.027 3.938 3.960 0.009 0.000 0.217 242 G HA3 -0.027 3.938 3.960 0.009 0.000 0.217 242 G C 1.067 176.005 174.900 0.062 0.000 1.133 242 G CA 0.594 45.732 45.100 0.064 0.000 0.792 242 G HN 0.348 nan 8.290 nan 0.000 0.539 243 A N 0.285 123.137 122.820 0.054 0.000 2.842 243 A HA 0.596 4.921 4.320 0.009 0.000 0.298 243 A C 1.160 178.769 177.584 0.041 0.000 1.293 243 A CA -0.015 52.054 52.037 0.054 0.000 0.959 243 A CB -0.450 18.583 19.000 0.055 0.000 1.119 243 A HN 0.707 nan 8.150 nan 0.000 0.564 244 I N -6.287 114.297 120.570 0.024 0.000 4.983 244 I HA 0.306 4.482 4.170 0.009 0.000 0.346 244 I C 0.906 177.026 176.117 0.005 0.000 1.261 244 I CA 0.161 61.469 61.300 0.014 0.000 1.406 244 I CB 0.178 38.165 38.000 -0.022 0.000 1.529 244 I HN 0.062 nan 8.210 nan 0.000 0.524 245 L N 1.032 122.239 121.223 -0.028 0.000 2.492 245 L HA 0.146 4.492 4.340 0.009 0.000 0.223 245 L C 2.303 179.178 176.870 0.008 0.000 1.132 245 L CA 0.972 55.735 54.840 -0.127 0.000 0.850 245 L CB -0.032 41.956 42.059 -0.118 0.000 0.966 245 L HN 0.387 nan 8.230 nan 0.000 0.454 246 Q N -0.797 119.064 119.800 0.100 0.000 2.165 246 Q HA -0.061 4.285 4.340 0.009 0.000 0.197 246 Q C 1.984 178.066 176.000 0.138 0.000 0.952 246 Q CA 1.341 57.239 55.803 0.158 0.000 0.848 246 Q CB 0.036 28.844 28.738 0.118 0.000 0.931 246 Q HN 0.449 nan 8.270 nan 0.000 0.470 247 S N -0.479 115.285 115.700 0.107 0.000 2.803 247 S HA 0.003 4.479 4.470 0.009 0.000 0.226 247 S C 0.778 175.460 174.600 0.135 0.000 0.962 247 S CA 0.036 58.294 58.200 0.096 0.000 0.968 247 S CB -0.161 63.084 63.200 0.075 0.000 0.786 247 S HN 0.348 nan 8.310 nan 0.000 0.527 248 F N 0.198 120.138 119.950 -0.017 0.000 2.182 248 F HA 0.413 4.946 4.527 0.009 0.000 0.254 248 F C 1.437 177.275 175.800 0.063 0.000 0.972 248 F CA -0.716 57.260 58.000 -0.041 0.000 1.182 248 F CB -0.448 38.443 39.000 -0.181 0.000 1.382 248 F HN 0.150 nan 8.300 nan 0.000 0.718 249 F N 1.298 121.340 119.950 0.155 0.000 2.085 249 F HA -0.326 4.206 4.527 0.009 0.000 0.299 249 F C 2.199 177.953 175.800 -0.076 0.000 1.096 249 F CA 1.921 59.950 58.000 0.047 0.000 1.227 249 F CB -0.572 38.522 39.000 0.155 0.000 0.983 249 F HN 0.075 nan 8.300 nan 0.000 0.482 250 T N -1.088 113.568 114.554 0.171 0.000 2.978 250 T HA -0.112 4.243 4.350 0.009 0.000 0.262 250 T C 1.888 176.584 174.700 -0.006 0.000 1.063 250 T CA 0.517 62.657 62.100 0.066 0.000 1.140 250 T CB -0.096 68.817 68.868 0.076 0.000 0.886 250 T HN 0.011 nan 8.240 nan 0.000 0.470 251 K N -0.063 120.315 120.400 -0.038 0.000 2.555 251 K HA 0.121 4.447 4.320 0.009 0.000 0.193 251 K C 1.296 177.811 176.600 -0.141 0.000 1.032 251 K CA 0.708 56.954 56.287 -0.068 0.000 1.004 251 K CB 0.019 32.496 32.500 -0.038 0.000 0.804 251 K HN 0.272 nan 8.250 nan 0.000 0.496 252 M N -1.158 118.311 119.600 -0.218 0.000 2.537 252 M HA 0.249 4.734 4.480 0.009 0.000 0.198 252 M C -0.184 176.036 176.300 -0.134 0.000 1.877 252 M CA 1.073 56.228 55.300 -0.241 0.000 1.139 252 M CB 0.179 32.474 32.600 -0.507 0.000 1.384 252 M HN 0.049 nan 8.290 nan 0.000 0.591 268 Q N 1.098 120.593 119.800 -0.508 0.000 2.159 268 Q HA 0.049 4.394 4.340 0.009 0.000 0.217 268 Q C -0.199 175.739 176.000 -0.103 0.000 0.818 268 Q CA 0.257 55.935 55.803 -0.208 0.000 1.008 268 Q CB 0.692 29.391 28.738 -0.064 0.000 1.148 268 Q HN 0.295 nan 8.270 nan 0.000 0.491 269 D N 0.109 120.320 120.400 -0.315 0.000 2.676 269 D HA 0.084 4.729 4.640 0.009 0.000 0.239 269 D C -0.031 176.296 176.300 0.045 0.000 1.213 269 D CA 0.083 53.995 54.000 -0.148 0.000 0.835 269 D CB -0.512 40.186 40.800 -0.171 0.000 1.009 269 D HN 0.105 nan 8.370 nan 0.000 0.479 270 F N -0.100 119.956 119.950 0.177 0.000 2.556 270 F HA 0.491 5.024 4.527 0.009 0.000 0.327 270 F C 0.045 175.920 175.800 0.126 0.000 1.059 270 F CA -1.514 56.596 58.000 0.184 0.000 0.953 270 F CB 2.615 41.811 39.000 0.327 0.000 1.227 270 F HN -0.205 nan 8.300 nan 0.000 0.478 271 V N 3.587 123.671 119.914 0.283 0.000 2.888 271 V HA 0.497 4.622 4.120 0.009 0.000 0.309 271 V C -1.252 174.882 176.094 0.066 0.000 1.114 271 V CA -0.722 61.668 62.300 0.150 0.000 0.940 271 V CB 2.231 34.143 31.823 0.148 0.000 1.021 271 V HN 0.617 nan 8.190 nan 0.000 0.426 272 L N 6.043 127.263 121.223 -0.004 0.000 2.380 272 L HA 0.604 4.950 4.340 0.009 0.000 0.273 272 L C 0.342 177.159 176.870 -0.088 0.000 1.138 272 L CA 0.042 54.822 54.840 -0.099 0.000 0.832 272 L CB 0.755 42.715 42.059 -0.165 0.000 1.124 272 L HN 0.650 nan 8.230 nan 0.000 0.454 273 R N 1.904 122.292 120.500 -0.187 0.000 2.621 273 R HA 0.484 4.830 4.340 0.009 0.000 0.284 273 R C -1.301 174.785 176.300 -0.356 0.000 0.998 273 R CA -0.773 55.109 56.100 -0.364 0.000 0.895 273 R CB 2.221 32.251 30.300 -0.449 0.000 1.195 273 R HN 0.347 nan 8.270 nan 0.000 0.450 274 V N 3.794 123.434 119.914 -0.455 0.000 2.585 274 V HA 0.008 4.134 4.120 0.009 0.000 0.296 274 V C 0.373 176.237 176.094 -0.382 0.000 1.035 274 V CA -0.246 61.790 62.300 -0.441 0.000 1.084 274 V CB 0.686 32.017 31.823 -0.820 0.000 0.953 274 V HN 0.807 nan 8.190 nan 0.000 0.483 275 C N 5.019 124.163 119.300 -0.261 0.000 2.634 275 C HA 0.420 4.886 4.460 0.009 0.000 0.418 275 C C 1.702 176.548 174.990 -0.240 0.000 1.373 275 C CA 0.578 59.450 59.018 -0.244 0.000 1.756 275 C CB -0.899 26.689 27.740 -0.253 0.000 2.589 275 C HN 1.355 nan 8.230 nan 0.000 0.602 276 G N 3.327 111.994 108.800 -0.223 0.000 2.168 276 G HA2 -0.236 3.729 3.960 0.009 0.000 0.263 276 G HA3 -0.236 3.729 3.960 0.009 0.000 0.263 276 G C 0.067 174.827 174.900 -0.233 0.000 0.977 276 G CA 0.534 45.517 45.100 -0.194 0.000 0.659 276 G HN 0.801 nan 8.290 nan 0.000 0.533 277 R N -0.856 119.455 120.500 -0.314 0.000 2.888 277 R HA 0.494 4.839 4.340 0.009 0.000 0.264 277 R C -1.191 174.889 176.300 -0.368 0.000 1.045 277 R CA -0.761 55.126 56.100 -0.354 0.000 0.962 277 R CB 1.003 31.002 30.300 -0.503 0.000 1.210 277 R HN 0.041 nan 8.270 nan 0.000 0.479 278 D N 1.264 121.483 120.400 -0.301 0.000 3.139 278 D HA 0.107 4.753 4.640 0.009 0.000 0.268 278 D C -1.086 175.087 176.300 -0.213 0.000 1.322 278 D CA -0.051 53.807 54.000 -0.236 0.000 0.940 278 D CB 0.222 40.962 40.800 -0.099 0.000 1.050 278 D HN 0.231 nan 8.370 nan 0.000 0.503 279 E N 0.648 120.560 120.200 -0.480 0.000 2.224 279 E HA 0.334 4.690 4.350 0.009 0.000 0.265 279 E C -1.597 174.657 176.600 -0.578 0.000 0.878 279 E CA -0.650 55.524 56.400 -0.376 0.000 0.759 279 E CB 0.691 30.175 29.700 -0.360 0.000 1.164 279 E HN 0.091 nan 8.360 nan 0.000 0.414 280 Y N 2.848 123.030 120.300 -0.196 0.000 2.446 280 Y HA 0.497 5.053 4.550 0.009 0.000 0.338 280 Y C -0.354 175.519 175.900 -0.045 0.000 1.055 280 Y CA -1.101 56.912 58.100 -0.145 0.000 1.101 280 Y CB 1.228 39.595 38.460 -0.155 0.000 1.221 280 Y HN 0.366 nan 8.280 nan 0.000 0.460 281 L N 4.096 125.328 121.223 0.015 0.000 2.603 281 L HA 0.416 4.761 4.340 0.009 0.000 0.242 281 L C -0.216 176.626 176.870 -0.047 0.000 1.169 281 L CA -0.339 54.343 54.840 -0.263 0.000 1.029 281 L CB 0.000 41.693 42.059 -0.611 0.000 1.361 281 L HN 0.527 nan 8.230 nan 0.000 0.439 282 V N -1.432 118.657 119.914 0.291 0.000 3.182 282 V HA 1.093 5.218 4.120 0.009 0.000 0.311 282 V C 0.378 176.673 176.094 0.334 0.000 1.221 282 V CA -0.398 62.045 62.300 0.239 0.000 1.060 282 V CB 1.296 33.200 31.823 0.134 0.000 1.164 282 V HN 0.730 nan 8.190 nan 0.000 0.466 283 G N 0.459 109.377 108.800 0.195 0.000 2.733 283 G HA2 -0.076 3.890 3.960 0.009 0.000 0.686 283 G HA3 -0.076 3.890 3.960 0.009 0.000 0.686 283 G C -0.538 174.452 174.900 0.151 0.000 1.373 283 G CA -0.134 45.054 45.100 0.146 0.000 0.838 283 G HN 1.131 nan 8.290 nan 0.000 0.588 284 E N 1.303 121.558 120.200 0.091 0.000 1.858 284 E HA 0.330 4.686 4.350 0.009 0.000 0.278 284 E C 0.418 177.054 176.600 0.060 0.000 1.172 284 E CA 0.608 57.057 56.400 0.081 0.000 1.127 284 E CB -0.160 29.573 29.700 0.056 0.000 1.084 284 E HN 0.543 nan 8.360 nan 0.000 0.455 285 T N 1.900 116.515 114.554 0.102 0.000 2.916 285 T HA 0.357 4.713 4.350 0.009 0.000 0.298 285 T C -2.656 172.153 174.700 0.181 0.000 1.031 285 T CA -1.689 60.430 62.100 0.032 0.000 0.993 285 T CB 2.165 70.861 68.868 -0.287 0.000 1.045 285 T HN -0.026 nan 8.240 nan 0.000 0.454 286 P HA 0.154 nan 4.420 nan 0.000 0.264 286 P C 1.312 178.776 177.300 0.273 0.000 1.193 286 P CA -0.283 62.902 63.100 0.142 0.000 0.763 286 P CB 0.159 31.901 31.700 0.071 0.000 0.810 287 I N 2.894 123.614 120.570 0.250 0.000 2.530 287 I HA -0.283 3.892 4.170 0.009 0.000 0.257 287 I C 1.593 177.835 176.117 0.208 0.000 1.179 287 I CA 1.458 62.910 61.300 0.254 0.000 1.440 287 I CB -0.938 37.061 38.000 -0.001 0.000 1.087 287 I HN 0.311 nan 8.210 nan 0.000 0.440 288 K N 0.753 121.197 120.400 0.073 0.000 2.486 288 K HA -0.003 4.322 4.320 0.009 0.000 0.194 288 K C 0.956 177.536 176.600 -0.033 0.000 1.033 288 K CA 0.944 57.200 56.287 -0.052 0.000 1.004 288 K CB -0.288 32.116 32.500 -0.160 0.000 0.798 288 K HN 0.262 nan 8.250 nan 0.000 0.495 289 N N 0.125 118.852 118.700 0.044 0.000 2.353 289 N HA 0.124 4.869 4.740 0.009 0.000 0.185 289 N C -0.813 174.633 175.510 -0.105 0.000 1.098 289 N CA 0.061 53.077 53.050 -0.056 0.000 0.872 289 N CB 0.118 38.545 38.487 -0.100 0.000 0.970 289 N HN 0.063 nan 8.380 nan 0.000 0.467 290 F N 1.066 120.981 119.950 -0.058 0.000 2.399 290 F HA 0.197 4.730 4.527 0.010 0.000 0.342 290 F C 1.830 177.547 175.800 -0.138 0.000 1.106 290 F CA -0.412 57.562 58.000 -0.044 0.000 1.196 290 F CB 1.016 40.029 39.000 0.023 0.000 1.163 290 F HN -0.145 nan 8.300 nan 0.000 0.547 291 Q N 2.700 122.423 119.800 -0.128 0.000 2.083 291 Q HA -0.217 4.129 4.340 0.009 0.000 0.198 291 Q C 2.241 178.132 176.000 -0.181 0.000 0.969 291 Q CA 1.274 56.824 55.803 -0.422 0.000 0.838 291 Q CB -0.517 27.397 28.738 -1.374 0.000 0.900 291 Q HN 0.901 nan 8.270 nan 0.000 0.436 292 W N 0.989 122.204 121.300 -0.141 0.000 2.338 292 W HA -0.195 4.471 4.660 0.009 0.000 0.304 292 W C 1.614 178.141 176.519 0.013 0.000 1.212 292 W CA 1.334 58.672 57.345 -0.011 0.000 1.264 292 W CB 0.092 29.575 29.460 0.039 0.000 1.142 292 W HN -0.058 nan 8.180 nan 0.000 0.512 293 V N 1.579 121.497 119.914 0.006 0.000 2.343 293 V HA -0.285 3.841 4.120 0.009 0.000 0.247 293 V C 2.509 178.472 176.094 -0.218 0.000 1.051 293 V CA 2.058 64.283 62.300 -0.126 0.000 1.036 293 V CB -0.793 31.015 31.823 -0.026 0.000 0.654 293 V HN 0.152 nan 8.190 nan 0.000 0.451 294 R N -0.824 119.569 120.500 -0.179 0.000 2.148 294 R HA -0.120 4.226 4.340 0.009 0.000 0.223 294 R C 2.273 178.450 176.300 -0.205 0.000 1.088 294 R CA 1.256 57.240 56.100 -0.194 0.000 0.985 294 R CB -0.445 29.753 30.300 -0.171 0.000 0.880 294 R HN 0.670 nan 8.270 nan 0.000 0.451 295 H N 0.361 119.215 119.070 -0.360 0.000 2.357 295 H HA -0.076 4.485 4.556 0.009 0.000 0.301 295 H C 1.829 176.893 175.328 -0.439 0.000 1.082 295 H CA 1.658 57.463 56.048 -0.405 0.000 1.342 295 H CB -0.310 29.127 29.762 -0.543 0.000 1.389 295 H HN 0.089 nan 8.280 nan 0.000 0.511 296 C N 0.299 119.143 119.300 -0.760 0.000 2.440 296 C HA -0.007 4.459 4.460 0.009 0.000 0.278 296 C C 2.964 177.718 174.990 -0.393 0.000 1.295 296 C CA 0.728 59.348 59.018 -0.665 0.000 1.738 296 C CB -1.067 26.349 27.740 -0.539 0.000 1.987 296 C HN 0.540 nan 8.230 nan 0.000 0.492 297 L N 0.933 121.973 121.223 -0.306 0.000 2.027 297 L HA -0.128 4.218 4.340 0.009 0.000 0.206 297 L C 2.760 179.521 176.870 -0.182 0.000 1.074 297 L CA 1.375 56.087 54.840 -0.213 0.000 0.745 297 L CB -0.862 41.073 42.059 -0.208 0.000 0.898 297 L HN 0.257 nan 8.230 nan 0.000 0.433 298 K N 0.411 120.701 120.400 -0.184 0.000 2.280 298 K HA -0.143 4.183 4.320 0.009 0.000 0.202 298 K C 0.756 177.259 176.600 -0.162 0.000 1.047 298 K CA 1.116 57.330 56.287 -0.122 0.000 0.942 298 K CB 0.013 32.470 32.500 -0.072 0.000 0.739 298 K HN 0.354 nan 8.250 nan 0.000 0.457 299 N N -0.191 118.356 118.700 -0.255 0.000 2.282 299 N HA 0.058 4.803 4.740 0.009 0.000 0.240 299 N C 0.201 175.601 175.510 -0.183 0.000 1.182 299 N CA 0.610 53.520 53.050 -0.232 0.000 0.874 299 N CB 1.014 39.294 38.487 -0.344 0.000 1.126 299 N HN 0.284 nan 8.380 nan 0.000 0.516 300 G N 1.367 110.076 108.800 -0.153 0.000 2.337 300 G HA2 -0.311 3.655 3.960 0.009 0.000 0.290 300 G HA3 -0.311 3.655 3.960 0.009 0.000 0.290 300 G C 0.002 174.850 174.900 -0.087 0.000 1.003 300 G CA 0.672 45.713 45.100 -0.098 0.000 0.825 300 G HN 0.437 nan 8.290 nan 0.000 0.509 301 E N -0.047 120.067 120.200 -0.144 0.000 2.283 301 E HA 0.439 4.795 4.350 0.009 0.000 0.267 301 E C 0.295 176.869 176.600 -0.045 0.000 1.045 301 E CA -0.641 55.703 56.400 -0.092 0.000 0.884 301 E CB 0.978 30.584 29.700 -0.157 0.000 1.106 301 E HN 0.550 nan 8.360 nan 0.000 0.408 302 E N 1.306 121.547 120.200 0.068 0.000 2.313 302 E HA 0.182 4.537 4.350 0.009 0.000 0.272 302 E C -0.265 176.382 176.600 0.078 0.000 1.038 302 E CA -0.514 55.930 56.400 0.074 0.000 0.863 302 E CB 0.925 30.715 29.700 0.149 0.000 1.060 302 E HN 0.265 nan 8.360 nan 0.000 0.402 303 I N 3.815 124.358 120.570 -0.045 0.000 2.260 303 I HA 0.084 4.259 4.170 0.009 0.000 0.297 303 I C -0.327 175.748 176.117 -0.070 0.000 1.143 303 I CA -0.062 61.244 61.300 0.010 0.000 1.271 303 I CB -1.022 36.962 38.000 -0.025 0.000 1.461 303 I HN 0.364 nan 8.210 nan 0.000 0.530 304 H N 4.201 123.343 119.070 0.121 0.000 2.552 304 H HA 0.569 5.131 4.556 0.009 0.000 0.311 304 H C -0.176 175.132 175.328 -0.035 0.000 1.071 304 H CA -0.328 55.747 56.048 0.046 0.000 1.307 304 H CB 1.423 31.160 29.762 -0.042 0.000 1.416 304 H HN 0.255 nan 8.280 nan 0.000 0.464 305 V N 3.423 123.348 119.914 0.019 0.000 2.914 305 V HA 0.414 4.539 4.120 0.009 0.000 0.314 305 V C -0.574 175.465 176.094 -0.091 0.000 1.084 305 V CA -1.005 61.243 62.300 -0.086 0.000 0.963 305 V CB 2.467 34.214 31.823 -0.127 0.000 1.025 305 V HN 0.497 nan 8.190 nan 0.000 0.432 306 V N 3.844 123.669 119.914 -0.149 0.000 2.604 306 V HA 0.647 4.773 4.120 0.009 0.000 0.305 306 V C -0.902 175.086 176.094 -0.177 0.000 1.043 306 V CA -0.770 61.450 62.300 -0.133 0.000 0.888 306 V CB 1.731 33.471 31.823 -0.137 0.000 0.995 306 V HN 0.781 nan 8.190 nan 0.000 0.429 307 L N 7.790 128.889 121.223 -0.207 0.000 2.278 307 L HA 0.621 4.967 4.340 0.009 0.000 0.287 307 L C -0.345 176.319 176.870 -0.344 0.000 1.072 307 L CA 0.650 55.324 54.840 -0.276 0.000 0.819 307 L CB 0.423 42.292 42.059 -0.316 0.000 1.176 307 L HN 0.942 nan 8.230 nan 0.000 0.435 308 D N 1.527 121.771 120.400 -0.261 0.000 2.677 308 D HA 0.230 4.876 4.640 0.009 0.000 0.298 308 D C -0.907 175.398 176.300 0.007 0.000 1.250 308 D CA -0.625 53.247 54.000 -0.214 0.000 0.888 308 D CB 0.939 41.680 40.800 -0.098 0.000 1.397 308 D HN 0.259 nan 8.370 nan 0.000 0.461 309 T N 1.368 115.975 114.554 0.088 0.000 2.884 309 T HA 0.428 4.783 4.350 0.009 0.000 0.298 309 T C -2.262 172.514 174.700 0.127 0.000 0.998 309 T CA -0.476 61.739 62.100 0.191 0.000 1.124 309 T CB 0.730 69.698 68.868 0.166 0.000 0.931 309 T HN 0.174 nan 8.240 nan 0.000 0.531 310 P HA 0.145 nan 4.420 nan 0.000 0.266 310 P C -2.170 175.103 177.300 -0.045 0.000 1.195 310 P CA -1.040 62.050 63.100 -0.016 0.000 0.768 310 P CB -0.205 31.487 31.700 -0.013 0.000 0.838 311 P HA 0.017 nan 4.420 nan 0.000 0.269 311 P C -0.570 176.693 177.300 -0.062 0.000 1.209 311 P CA 0.155 63.202 63.100 -0.088 0.000 0.776 311 P CB 0.504 32.111 31.700 -0.155 0.000 0.876 312 D N 3.454 123.836 120.400 -0.029 0.000 2.344 312 D HA 0.078 4.723 4.640 0.009 0.000 0.253 312 D C -1.097 175.195 176.300 -0.014 0.000 1.255 312 D CA -2.155 51.835 54.000 -0.016 0.000 0.894 312 D CB 0.371 41.167 40.800 -0.007 0.000 1.067 312 D HN 0.192 nan 8.370 nan 0.000 0.492 313 P HA -0.142 nan 4.420 nan 0.000 0.234 313 P C 0.734 178.050 177.300 0.026 0.000 1.162 313 P CA 0.435 63.547 63.100 0.020 0.000 0.759 313 P CB 0.244 31.961 31.700 0.030 0.000 0.813 314 A N 0.211 123.037 122.820 0.009 0.000 2.014 314 A HA -0.039 4.286 4.320 0.009 0.000 0.218 314 A C 2.233 179.819 177.584 0.003 0.000 1.163 314 A CA 0.691 52.731 52.037 0.004 0.000 0.652 314 A CB -1.268 17.730 19.000 -0.003 0.000 0.808 314 A HN 0.171 nan 8.150 nan 0.000 0.449 315 L N -0.385 120.839 121.223 0.000 0.000 2.362 315 L HA -0.089 4.256 4.340 0.009 0.000 0.219 315 L C 0.643 177.521 176.870 0.012 0.000 1.134 315 L CA 0.692 55.528 54.840 -0.006 0.000 0.807 315 L CB -0.333 41.716 42.059 -0.016 0.000 0.927 315 L HN 0.226 nan 8.230 nan 0.000 0.447 316 D N -0.043 120.382 120.400 0.041 0.000 2.358 316 D HA 0.030 4.676 4.640 0.009 0.000 0.224 316 D C 0.532 176.874 176.300 0.070 0.000 1.123 316 D CA 0.100 54.156 54.000 0.094 0.000 0.833 316 D CB 0.113 41.038 40.800 0.208 0.000 0.946 316 D HN 0.327 nan 8.370 nan 0.000 0.505 317 E N 0.511 120.729 120.200 0.029 0.000 2.442 317 E HA 0.068 4.423 4.350 0.009 0.000 0.262 317 E C -0.481 176.118 176.600 -0.001 0.000 1.004 317 E CA 0.094 56.497 56.400 0.005 0.000 0.928 317 E CB 0.932 30.626 29.700 -0.010 0.000 0.937 317 E HN -0.180 nan 8.360 nan 0.000 0.446 318 V N 4.721 124.623 119.914 -0.020 0.000 2.472 318 V HA 0.243 4.369 4.120 0.009 0.000 0.290 318 V C 0.308 176.365 176.094 -0.062 0.000 1.037 318 V CA -0.568 61.714 62.300 -0.030 0.000 0.908 318 V CB 1.470 33.270 31.823 -0.038 0.000 0.985 318 V HN 0.658 nan 8.190 nan 0.000 0.454 319 R N 4.046 124.487 120.500 -0.098 0.000 2.442 319 R HA 0.198 4.544 4.340 0.009 0.000 0.291 319 R C 0.012 176.215 176.300 -0.162 0.000 1.069 319 R CA -0.384 55.600 56.100 -0.193 0.000 1.022 319 R CB 0.382 30.422 30.300 -0.432 0.000 0.976 319 R HN 0.654 nan 8.270 nan 0.000 0.443 320 K N 3.421 123.738 120.400 -0.137 0.000 2.485 320 K HA -0.053 4.272 4.320 0.009 0.000 0.277 320 K C -0.319 176.221 176.600 -0.099 0.000 0.990 320 K CA 0.651 56.881 56.287 -0.096 0.000 0.994 320 K CB 0.478 32.931 32.500 -0.078 0.000 0.906 320 K HN 0.599 nan 8.250 nan 0.000 0.488 321 E N 1.537 121.703 120.200 -0.056 0.000 2.222 321 E HA 0.252 4.607 4.350 0.009 0.000 0.267 321 E C -0.737 175.851 176.600 -0.019 0.000 0.963 321 E CA -0.762 55.620 56.400 -0.031 0.000 0.837 321 E CB 1.599 31.297 29.700 -0.003 0.000 1.183 321 E HN 0.616 nan 8.360 nan 0.000 0.403 358 D N 2.063 122.489 120.400 0.043 0.000 2.462 358 D HA 0.221 4.867 4.640 0.009 0.000 0.221 358 D C 0.488 176.802 176.300 0.023 0.000 1.173 358 D CA -0.138 53.880 54.000 0.029 0.000 0.831 358 D CB 0.286 41.098 40.800 0.019 0.000 1.001 358 D HN 0.459 nan 8.370 nan 0.000 0.499 359 R N 1.392 121.906 120.500 0.023 0.000 2.615 359 R HA 0.244 4.590 4.340 0.009 0.000 0.270 359 R C -0.141 176.176 176.300 0.028 0.000 1.081 359 R CA -0.230 55.875 56.100 0.008 0.000 1.154 359 R CB 0.429 30.721 30.300 -0.014 0.000 1.063 359 R HN -0.155 nan 8.270 nan 0.000 0.519 360 K N 2.276 122.688 120.400 0.021 0.000 2.295 360 K HA 0.063 4.388 4.320 0.009 0.000 0.270 360 K C -0.291 176.369 176.600 0.100 0.000 1.011 360 K CA -0.135 56.195 56.287 0.070 0.000 0.953 360 K CB 0.355 32.889 32.500 0.056 0.000 0.956 360 K HN 0.427 nan 8.250 nan 0.000 0.477 361 F N 3.348 123.324 119.950 0.043 0.000 2.418 361 F HA 0.175 4.708 4.527 0.010 0.000 0.341 361 F C 0.242 176.150 175.800 0.181 0.000 1.120 361 F CA 0.061 58.090 58.000 0.047 0.000 1.232 361 F CB 0.583 39.565 39.000 -0.031 0.000 1.175 361 F HN 0.528 nan 8.300 nan 0.000 0.569 362 R N 4.029 124.018 120.500 -0.851 0.000 2.710 362 R HA 0.813 5.159 4.340 0.009 0.000 0.270 362 R C -2.422 173.607 176.300 -0.451 0.000 1.021 362 R CA -1.181 54.704 56.100 -0.358 0.000 0.889 362 R CB 1.749 31.950 30.300 -0.165 0.000 1.243 362 R HN 0.630 nan 8.270 nan 0.000 0.464 363 V N 0.985 120.973 119.914 0.123 0.000 2.851 363 V HA 0.469 4.595 4.120 0.009 0.000 0.307 363 V C -1.380 174.805 176.094 0.151 0.000 1.129 363 V CA -0.809 61.587 62.300 0.160 0.000 0.932 363 V CB 2.182 34.112 31.823 0.177 0.000 1.024 363 V HN 0.843 nan 8.190 nan 0.000 0.426 364 K N 6.830 127.089 120.400 -0.234 0.000 2.253 364 K HA 0.510 4.836 4.320 0.009 0.000 0.277 364 K C -0.773 175.651 176.600 -0.294 0.000 1.053 364 K CA -0.735 55.199 56.287 -0.588 0.000 0.892 364 K CB 0.938 32.557 32.500 -1.467 0.000 1.102 364 K HN 0.630 nan 8.250 nan 0.000 0.469 365 I N 6.772 127.231 120.570 -0.186 0.000 2.294 365 I HA 0.097 4.273 4.170 0.009 0.000 0.295 365 I C 1.412 177.501 176.117 -0.046 0.000 1.098 365 I CA 0.061 61.299 61.300 -0.103 0.000 1.277 365 I CB 0.542 38.451 38.000 -0.152 0.000 1.434 365 I HN 0.719 nan 8.210 nan 0.000 0.498 366 R N 4.239 124.713 120.500 -0.043 0.000 2.057 366 R HA 0.191 4.537 4.340 0.009 0.000 0.229 366 R C 0.950 177.318 176.300 0.113 0.000 1.136 366 R CA 0.726 56.822 56.100 -0.006 0.000 0.952 366 R CB 0.016 30.291 30.300 -0.043 0.000 0.848 366 R HN 0.732 nan 8.270 nan 0.000 0.430 367 G N 0.636 109.517 108.800 0.136 0.000 2.328 367 G HA2 0.361 4.326 3.960 0.009 0.000 0.295 367 G HA3 0.361 4.326 3.960 0.009 0.000 0.295 367 G C -1.492 173.502 174.900 0.156 0.000 1.413 367 G CA -0.827 44.411 45.100 0.229 0.000 0.817 367 G HN 0.207 nan 8.290 nan 0.000 0.546 368 I N -1.791 118.889 120.570 0.184 0.000 2.693 368 I HA 0.924 5.099 4.170 0.009 0.000 0.303 368 I C -1.304 174.839 176.117 0.043 0.000 1.025 368 I CA -0.958 60.400 61.300 0.096 0.000 1.086 368 I CB 2.520 40.605 38.000 0.142 0.000 1.268 368 I HN 0.508 nan 8.210 nan 0.000 0.440 369 D N 4.364 124.755 120.400 -0.015 0.000 2.934 369 D HA 0.641 5.286 4.640 0.009 0.000 0.230 369 D C -1.670 174.600 176.300 -0.050 0.000 1.204 369 D CA -0.367 53.620 54.000 -0.022 0.000 0.873 369 D CB 2.554 43.337 40.800 -0.029 0.000 1.645 369 D HN 0.788 nan 8.370 nan 0.000 0.502 370 I N 4.219 124.766 120.570 -0.039 0.000 2.619 370 I HA 0.389 4.564 4.170 0.009 0.000 0.292 370 I C -2.047 174.042 176.117 -0.045 0.000 1.100 370 I CA -2.590 58.676 61.300 -0.056 0.000 1.043 370 I CB 2.590 40.551 38.000 -0.065 0.000 1.239 370 I HN 0.344 nan 8.210 nan 0.000 0.420 371 P HA -0.045 nan 4.420 nan 0.000 0.213 371 P C -0.719 176.556 177.300 -0.042 0.000 1.170 371 P CA 0.998 64.079 63.100 -0.032 0.000 0.893 371 P CB 0.173 31.859 31.700 -0.022 0.000 0.784 372 V N 0.217 120.106 119.914 -0.042 0.000 2.638 372 V HA 0.290 4.416 4.120 0.009 0.000 0.306 372 V C 0.534 176.585 176.094 -0.071 0.000 1.052 372 V CA -0.462 61.807 62.300 -0.053 0.000 0.885 372 V CB 1.834 33.637 31.823 -0.033 0.000 0.999 372 V HN -0.003 nan 8.190 nan 0.000 0.424 373 L N 1.948 123.098 121.223 -0.121 0.000 3.360 373 L HA 0.509 4.855 4.340 0.009 0.000 0.303 373 L C -1.816 174.953 176.870 -0.169 0.000 1.218 373 L CA -0.377 54.351 54.840 -0.186 0.000 1.059 373 L CB 1.077 42.889 42.059 -0.412 0.000 1.468 373 L HN 0.498 nan 8.230 nan 0.000 0.614 374 P HA 0.007 nan 4.420 nan 0.000 0.253 374 P C -0.533 176.733 177.300 -0.058 0.000 1.170 374 P CA 0.610 63.658 63.100 -0.085 0.000 0.806 374 P CB 0.367 32.032 31.700 -0.057 0.000 0.775 375 R N 2.885 123.352 120.500 -0.055 0.000 3.112 375 R HA 0.435 4.780 4.340 0.009 0.000 0.227 375 R C 1.093 177.394 176.300 0.001 0.000 1.519 375 R CA -0.842 55.249 56.100 -0.015 0.000 1.051 375 R CB -0.541 29.761 30.300 0.003 0.000 1.652 375 R HN 0.019 nan 8.270 nan 0.000 0.517 376 N N 0.137 118.848 118.700 0.019 0.000 2.097 376 N HA -0.028 4.718 4.740 0.009 0.000 0.184 376 N C -0.202 175.324 175.510 0.027 0.000 1.082 376 N CA 1.467 54.530 53.050 0.022 0.000 0.909 376 N CB -0.629 37.875 38.487 0.028 0.000 1.051 376 N HN 0.623 nan 8.380 nan 0.000 0.449 377 T N 2.790 117.367 114.554 0.039 0.000 2.794 377 T HA 0.090 4.445 4.350 0.009 0.000 0.296 377 T C -0.586 174.153 174.700 0.064 0.000 0.949 377 T CA -0.628 61.500 62.100 0.046 0.000 1.101 377 T CB 0.426 69.324 68.868 0.049 0.000 0.905 377 T HN 0.243 nan 8.240 nan 0.000 0.516 378 D N 3.787 124.222 120.400 0.059 0.000 2.389 378 D HA 0.065 4.711 4.640 0.009 0.000 0.263 378 D C -0.003 176.367 176.300 0.116 0.000 1.255 378 D CA -0.351 53.698 54.000 0.081 0.000 0.914 378 D CB 0.421 41.256 40.800 0.058 0.000 1.116 378 D HN 0.131 nan 8.370 nan 0.000 0.502 379 L N 1.464 122.793 121.223 0.176 0.000 2.335 379 L HA 0.501 4.847 4.340 0.009 0.000 0.268 379 L C 0.624 177.617 176.870 0.206 0.000 1.016 379 L CA -0.602 54.343 54.840 0.174 0.000 0.805 379 L CB 1.846 44.008 42.059 0.172 0.000 1.311 379 L HN 0.614 nan 8.230 nan 0.000 0.456 380 T N 0.076 114.731 114.554 0.168 0.000 2.881 380 T HA 0.610 4.966 4.350 0.009 0.000 0.278 380 T C -0.914 173.865 174.700 0.132 0.000 0.982 380 T CA -0.352 61.852 62.100 0.173 0.000 0.989 380 T CB 1.007 69.980 68.868 0.176 0.000 1.058 380 T HN 0.328 nan 8.240 nan 0.000 0.529 381 V N 3.542 123.548 119.914 0.153 0.000 2.852 381 V HA 0.645 4.770 4.120 0.009 0.000 0.300 381 V C -1.194 175.101 176.094 0.334 0.000 1.205 381 V CA -0.819 61.509 62.300 0.047 0.000 0.940 381 V CB 1.673 33.315 31.823 -0.303 0.000 1.047 381 V HN 0.915 nan 8.190 nan 0.000 0.429 382 F N 3.560 123.633 119.950 0.204 0.000 2.650 382 F HA 0.949 5.482 4.527 0.009 0.000 0.320 382 F C -1.087 174.719 175.800 0.010 0.000 1.091 382 F CA -1.291 56.814 58.000 0.175 0.000 0.962 382 F CB 1.726 40.799 39.000 0.122 0.000 1.363 382 F HN 0.175 nan 8.300 nan 0.000 0.482 383 V N 1.067 120.955 119.914 -0.042 0.000 2.435 383 V HA 0.370 4.495 4.120 0.009 0.000 0.290 383 V C -0.708 175.473 176.094 0.145 0.000 1.030 383 V CA -0.593 61.646 62.300 -0.101 0.000 0.881 383 V CB 1.396 32.995 31.823 -0.373 0.000 0.983 383 V HN 0.857 nan 8.190 nan 0.000 0.445 384 E N 3.422 123.751 120.200 0.214 0.000 2.129 384 E HA 0.670 5.025 4.350 0.009 0.000 0.268 384 E C -0.638 176.083 176.600 0.201 0.000 0.900 384 E CA -0.645 55.931 56.400 0.294 0.000 0.755 384 E CB 1.441 31.450 29.700 0.514 0.000 1.117 384 E HN 0.823 nan 8.360 nan 0.000 0.410 385 A N 5.430 128.376 122.820 0.210 0.000 2.256 385 A HA 0.424 4.749 4.320 0.009 0.000 0.317 385 A C -0.735 177.059 177.584 0.350 0.000 1.318 385 A CA -0.801 51.400 52.037 0.274 0.000 0.894 385 A CB 0.491 19.722 19.000 0.385 0.000 1.165 385 A HN 0.687 nan 8.150 nan 0.000 0.525 386 N N 2.232 121.054 118.700 0.203 0.000 2.361 386 N HA 0.454 5.199 4.740 0.009 0.000 0.302 386 N C -1.059 174.447 175.510 -0.008 0.000 1.074 386 N CA -0.495 52.637 53.050 0.136 0.000 0.850 386 N CB 1.930 40.475 38.487 0.096 0.000 1.228 386 N HN 0.413 nan 8.380 nan 0.000 0.491 387 I N 2.059 122.583 120.570 -0.076 0.000 2.328 387 I HA 0.260 4.436 4.170 0.009 0.000 0.287 387 I C 0.108 176.165 176.117 -0.099 0.000 1.012 387 I CA -0.309 60.874 61.300 -0.196 0.000 1.195 387 I CB 0.784 38.586 38.000 -0.330 0.000 1.350 387 I HN 0.296 nan 8.210 nan 0.000 0.464 388 Q N 5.129 124.875 119.800 -0.090 0.000 2.387 388 Q HA 0.536 4.882 4.340 0.009 0.000 0.273 388 Q C -0.775 175.208 176.000 -0.029 0.000 1.089 388 Q CA -0.777 54.992 55.803 -0.056 0.000 0.824 388 Q CB 3.171 31.866 28.738 -0.073 0.000 1.367 388 Q HN 0.488 nan 8.270 nan 0.000 0.443 389 H N -0.199 118.784 119.070 -0.145 0.000 3.181 389 H HA 0.255 4.816 4.556 0.009 0.000 0.331 389 H C -0.109 175.073 175.328 -0.242 0.000 0.988 389 H CA 0.513 56.444 56.048 -0.195 0.000 1.449 389 H CB 1.372 31.031 29.762 -0.172 0.000 1.749 389 H HN 0.973 nan 8.280 nan 0.000 0.501 390 G N 4.752 113.245 108.800 -0.511 0.000 2.314 390 G HA2 -0.293 3.672 3.960 0.009 0.000 0.292 390 G HA3 -0.293 3.672 3.960 0.009 0.000 0.292 390 G C 0.132 174.856 174.900 -0.294 0.000 1.059 390 G CA 0.761 45.591 45.100 -0.449 0.000 0.982 390 G HN 0.873 nan 8.290 nan 0.000 0.505 391 Q N -1.587 118.079 119.800 -0.224 0.000 2.430 391 Q HA -0.207 4.138 4.340 0.009 0.000 0.365 391 Q C 0.085 175.995 176.000 -0.149 0.000 1.399 391 Q CA 1.757 57.453 55.803 -0.179 0.000 1.050 391 Q CB -0.500 28.119 28.738 -0.198 0.000 1.201 391 Q HN 1.059 nan 8.270 nan 0.000 0.320 392 Q N 0.158 119.900 119.800 -0.097 0.000 2.429 392 Q HA 0.403 4.748 4.340 0.009 0.000 0.247 392 Q C -1.038 174.948 176.000 -0.023 0.000 0.915 392 Q CA -0.545 55.228 55.803 -0.050 0.000 0.971 392 Q CB 1.615 30.348 28.738 -0.008 0.000 1.468 392 Q HN 0.285 nan 8.270 nan 0.000 0.439 393 V N 3.363 123.266 119.914 -0.018 0.000 2.427 393 V HA 0.264 4.389 4.120 0.009 0.000 0.268 393 V C 0.877 176.979 176.094 0.012 0.000 1.046 393 V CA -0.159 62.142 62.300 0.002 0.000 0.970 393 V CB 0.405 32.239 31.823 0.017 0.000 1.001 393 V HN 0.932 nan 8.190 nan 0.000 0.476 394 L N 2.681 123.908 121.223 0.007 0.000 2.249 394 L HA 0.269 4.615 4.340 0.009 0.000 0.207 394 L C 0.837 177.727 176.870 0.034 0.000 1.090 394 L CA 0.853 55.695 54.840 0.004 0.000 0.802 394 L CB 0.247 42.289 42.059 -0.029 0.000 0.947 394 L HN 0.736 nan 8.230 nan 0.000 0.453 395 C N -0.975 118.367 119.300 0.071 0.000 3.171 395 C HA 0.433 4.898 4.460 0.009 0.000 0.336 395 C C -0.964 174.200 174.990 0.289 0.000 1.198 395 C CA -0.775 58.361 59.018 0.197 0.000 1.319 395 C CB 2.210 30.133 27.740 0.305 0.000 1.682 395 C HN 0.336 nan 8.230 nan 0.000 0.497 396 Q N 2.945 122.923 119.800 0.297 0.000 2.271 396 Q HA 0.600 4.946 4.340 0.009 0.000 0.268 396 Q C -1.434 174.628 176.000 0.103 0.000 1.021 396 Q CA -0.535 55.425 55.803 0.262 0.000 0.802 396 Q CB 1.309 30.131 28.738 0.140 0.000 1.282 396 Q HN 0.707 nan 8.270 nan 0.000 0.431 397 R N 2.666 123.198 120.500 0.053 0.000 2.686 397 R HA 0.622 4.967 4.340 0.009 0.000 0.286 397 R C -0.812 175.448 176.300 -0.066 0.000 0.969 397 R CA -0.596 55.382 56.100 -0.205 0.000 0.898 397 R CB 2.126 31.991 30.300 -0.726 0.000 1.183 397 R HN 0.715 nan 8.270 nan 0.000 0.456 398 R N -0.329 120.110 120.500 -0.103 0.000 2.892 398 R HA 0.533 4.878 4.340 0.009 0.000 0.265 398 R C -0.054 176.163 176.300 -0.138 0.000 1.025 398 R CA -0.750 55.307 56.100 -0.072 0.000 0.982 398 R CB 2.052 32.275 30.300 -0.129 0.000 1.185 398 R HN 0.749 nan 8.270 nan 0.000 0.484 399 T N -2.101 112.356 114.554 -0.161 0.000 2.948 399 T HA 0.384 4.740 4.350 0.009 0.000 0.285 399 T C 0.244 174.911 174.700 -0.054 0.000 1.019 399 T CA -0.894 61.055 62.100 -0.252 0.000 1.013 399 T CB 1.450 69.813 68.868 -0.842 0.000 1.117 399 T HN 0.574 nan 8.240 nan 0.000 0.533 400 S N 0.817 116.605 115.700 0.146 0.000 2.576 400 S HA 0.423 4.899 4.470 0.009 0.000 0.276 400 S C -2.720 172.129 174.600 0.416 0.000 1.339 400 S CA -1.081 57.254 58.200 0.225 0.000 1.039 400 S CB -0.290 63.054 63.200 0.240 0.000 0.902 400 S HN 0.610 nan 8.310 nan 0.000 0.516 401 P HA 0.328 nan 4.420 nan 0.000 0.271 401 P C -0.438 177.030 177.300 0.280 0.000 1.216 401 P CA -0.191 63.112 63.100 0.339 0.000 0.776 401 P CB 0.430 32.254 31.700 0.207 0.000 0.881 402 K N 3.186 123.747 120.400 0.268 0.000 2.466 402 K HA 0.524 4.849 4.320 0.009 0.000 0.260 402 K C -2.767 173.884 176.600 0.086 0.000 1.011 402 K CA -2.283 54.050 56.287 0.076 0.000 0.871 402 K CB 1.437 33.825 32.500 -0.187 0.000 1.404 402 K HN 0.145 nan 8.250 nan 0.000 0.450 403 P HA 0.042 nan 4.420 nan 0.000 0.276 403 P C -0.951 176.448 177.300 0.165 0.000 1.243 403 P CA -0.193 62.961 63.100 0.089 0.000 0.768 403 P CB 0.187 31.909 31.700 0.037 0.000 0.856 404 F N 5.348 125.314 119.950 0.027 0.000 2.556 404 F HA 0.171 4.704 4.527 0.010 0.000 0.344 404 F C 0.482 176.287 175.800 0.009 0.000 1.255 404 F CA -0.264 57.756 58.000 0.033 0.000 1.091 404 F CB -1.065 37.976 39.000 0.068 0.000 1.325 404 F HN 0.182 nan 8.300 nan 0.000 0.627 405 T N 1.071 115.714 114.554 0.147 0.000 2.927 405 T HA 0.333 4.688 4.350 0.009 0.000 0.286 405 T C 0.897 175.554 174.700 -0.071 0.000 1.040 405 T CA -0.774 61.297 62.100 -0.048 0.000 1.010 405 T CB 1.273 70.123 68.868 -0.029 0.000 1.177 405 T HN 0.493 nan 8.240 nan 0.000 0.546 406 E N 0.103 120.238 120.200 -0.107 0.000 2.455 406 E HA -0.075 4.280 4.350 0.009 0.000 0.202 406 E C 0.453 177.034 176.600 -0.031 0.000 1.045 406 E CA 0.724 57.072 56.400 -0.086 0.000 0.872 406 E CB 0.114 29.765 29.700 -0.081 0.000 0.792 406 E HN 0.690 nan 8.360 nan 0.000 0.542 407 E N 0.422 120.614 120.200 -0.014 0.000 2.349 407 E HA 0.229 4.584 4.350 0.009 0.000 0.290 407 E C -1.853 174.729 176.600 -0.031 0.000 0.901 407 E CA -0.299 56.096 56.400 -0.009 0.000 0.800 407 E CB 1.834 31.518 29.700 -0.027 0.000 1.303 407 E HN -0.144 nan 8.360 nan 0.000 0.397 408 V N 5.475 125.370 119.914 -0.031 0.000 2.540 408 V HA 0.533 4.659 4.120 0.009 0.000 0.302 408 V C -0.088 175.883 176.094 -0.205 0.000 1.035 408 V CA -0.648 61.537 62.300 -0.192 0.000 0.873 408 V CB 1.508 33.171 31.823 -0.266 0.000 0.992 408 V HN 0.602 nan 8.190 nan 0.000 0.428 409 L N 2.911 123.951 121.223 -0.305 0.000 2.319 409 L HA 0.578 4.923 4.340 0.009 0.000 0.267 409 L C 0.120 176.841 176.870 -0.249 0.000 1.011 409 L CA -0.371 54.388 54.840 -0.135 0.000 0.818 409 L CB 2.669 44.682 42.059 -0.076 0.000 1.316 409 L HN 0.671 nan 8.230 nan 0.000 0.432 410 W N -0.242 121.045 121.300 -0.021 0.000 4.634 410 W HA 0.053 4.719 4.660 0.010 0.000 0.188 410 W C 0.683 177.174 176.519 -0.046 0.000 1.087 410 W CA 0.155 57.488 57.345 -0.020 0.000 1.788 410 W CB 0.307 29.760 29.460 -0.011 0.000 0.651 410 W HN 0.772 nan 8.180 nan 0.000 0.982 411 N N 1.251 120.053 118.700 0.169 0.000 2.727 411 N HA -0.179 4.567 4.740 0.009 0.000 0.249 411 N C -1.374 174.116 175.510 -0.033 0.000 1.048 411 N CA 0.612 53.663 53.050 0.002 0.000 0.714 411 N CB -1.175 37.308 38.487 -0.007 0.000 0.959 411 N HN -0.188 nan 8.380 nan 0.000 0.544 412 V N 0.990 120.899 119.914 -0.009 0.000 2.495 412 V HA 0.452 4.577 4.120 0.009 0.000 0.298 412 V C 0.329 176.373 176.094 -0.082 0.000 1.031 412 V CA -0.691 61.607 62.300 -0.002 0.000 0.871 412 V CB 1.028 32.902 31.823 0.084 0.000 0.988 412 V HN 0.282 nan 8.190 nan 0.000 0.432 413 W N 4.882 126.178 121.300 -0.007 0.000 2.266 413 W HA 0.531 5.197 4.660 0.009 0.000 0.317 413 W C -0.158 176.320 176.519 -0.068 0.000 1.310 413 W CA -0.267 57.057 57.345 -0.035 0.000 1.207 413 W CB 0.726 30.162 29.460 -0.039 0.000 1.199 413 W HN 0.324 nan 8.180 nan 0.000 0.544 414 L N 3.774 125.129 121.223 0.219 0.000 2.294 414 L HA 0.320 4.665 4.340 0.009 0.000 0.283 414 L C -0.008 176.852 176.870 -0.017 0.000 1.015 414 L CA -0.659 54.181 54.840 0.000 0.000 0.831 414 L CB 1.180 43.205 42.059 -0.056 0.000 1.217 414 L HN 0.422 nan 8.230 nan 0.000 0.420 415 E N 2.810 122.935 120.200 -0.125 0.000 2.191 415 E HA 0.520 4.876 4.350 0.009 0.000 0.278 415 E C -1.367 175.115 176.600 -0.197 0.000 0.972 415 E CA -0.602 55.765 56.400 -0.055 0.000 0.804 415 E CB 1.266 30.939 29.700 -0.045 0.000 1.110 415 E HN 0.246 nan 8.360 nan 0.000 0.394 416 F N 1.010 121.010 119.950 0.083 0.000 2.523 416 F HA 0.183 4.715 4.527 0.008 0.000 0.329 416 F C 1.596 177.438 175.800 0.071 0.000 1.061 416 F CA -0.556 57.507 58.000 0.106 0.000 0.967 416 F CB 1.847 40.969 39.000 0.204 0.000 1.218 416 F HN 0.546 nan 8.300 nan 0.000 0.480 417 S N 0.110 115.948 115.700 0.230 0.000 2.428 417 S HA 0.062 4.537 4.470 0.009 0.000 0.230 417 S C 0.707 175.379 174.600 0.121 0.000 1.014 417 S CA 0.338 58.613 58.200 0.125 0.000 0.957 417 S CB -0.514 62.735 63.200 0.082 0.000 0.784 417 S HN 0.410 nan 8.310 nan 0.000 0.499 418 I N 2.699 123.362 120.570 0.155 0.000 2.618 418 I HA 0.059 4.234 4.170 0.009 0.000 0.284 418 I C 0.505 176.679 176.117 0.095 0.000 1.146 418 I CA -0.032 61.320 61.300 0.087 0.000 1.425 418 I CB 0.471 38.489 38.000 0.030 0.000 1.383 418 I HN 0.107 nan 8.210 nan 0.000 0.562 419 K N 5.671 126.100 120.400 0.048 0.000 2.202 419 K HA 0.210 4.535 4.320 0.009 0.000 0.264 419 K C 0.961 177.585 176.600 0.041 0.000 1.010 419 K CA -0.716 55.601 56.287 0.049 0.000 0.940 419 K CB 1.239 33.754 32.500 0.024 0.000 0.983 419 K HN 0.473 nan 8.250 nan 0.000 0.475 420 I N 1.848 122.455 120.570 0.061 0.000 2.361 420 I HA -0.206 3.970 4.170 0.009 0.000 0.251 420 I C 1.981 178.099 176.117 0.002 0.000 1.133 420 I CA 1.514 62.838 61.300 0.040 0.000 1.413 420 I CB -0.636 37.382 38.000 0.030 0.000 1.073 420 I HN 0.602 nan 8.210 nan 0.000 0.424 421 K N 0.949 121.360 120.400 0.018 0.000 2.366 421 K HA -0.086 4.239 4.320 0.009 0.000 0.198 421 K C 1.340 177.936 176.600 -0.006 0.000 1.044 421 K CA 0.848 57.147 56.287 0.020 0.000 0.973 421 K CB 0.049 32.565 32.500 0.027 0.000 0.767 421 K HN 0.204 nan 8.250 nan 0.000 0.475 422 D N -0.117 120.269 120.400 -0.024 0.000 2.354 422 D HA 0.027 4.673 4.640 0.009 0.000 0.209 422 D C -0.036 176.218 176.300 -0.076 0.000 1.015 422 D CA 0.093 54.064 54.000 -0.048 0.000 0.867 422 D CB 0.271 41.042 40.800 -0.047 0.000 0.933 422 D HN 0.168 nan 8.370 nan 0.000 0.520 423 L N 3.437 124.604 121.223 -0.093 0.000 2.499 423 L HA 0.103 4.449 4.340 0.009 0.000 0.273 423 L C -1.917 174.899 176.870 -0.090 0.000 1.195 423 L CA -0.958 53.799 54.840 -0.138 0.000 0.882 423 L CB 0.070 42.011 42.059 -0.198 0.000 1.133 423 L HN -0.175 nan 8.230 nan 0.000 0.483 424 P HA 0.139 nan 4.420 nan 0.000 0.292 424 P C -0.922 176.386 177.300 0.014 0.000 1.287 424 P CA -0.795 62.262 63.100 -0.072 0.000 0.800 424 P CB 1.319 32.856 31.700 -0.271 0.000 0.945 425 K N 1.852 122.294 120.400 0.070 0.000 2.524 425 K HA 0.153 4.478 4.320 0.009 0.000 0.279 425 K C 1.140 177.832 176.600 0.154 0.000 0.993 425 K CA 1.380 57.706 56.287 0.065 0.000 1.030 425 K CB -0.509 31.984 32.500 -0.011 0.000 0.891 425 K HN 0.818 nan 8.250 nan 0.000 0.488 426 G N 1.744 110.639 108.800 0.158 0.000 2.213 426 G HA2 -0.273 3.692 3.960 0.009 0.000 0.236 426 G HA3 -0.273 3.692 3.960 0.009 0.000 0.236 426 G C 0.124 174.985 174.900 -0.065 0.000 0.991 426 G CA 0.052 45.171 45.100 0.033 0.000 0.629 426 G HN 0.950 nan 8.290 nan 0.000 0.517 427 A N 0.420 123.263 122.820 0.038 0.000 2.498 427 A HA 0.613 4.939 4.320 0.009 0.000 0.239 427 A C 0.374 177.874 177.584 -0.140 0.000 1.068 427 A CA 0.523 52.549 52.037 -0.018 0.000 0.766 427 A CB 0.236 19.184 19.000 -0.088 0.000 1.003 427 A HN 0.944 nan 8.150 nan 0.000 0.497 428 L N 2.449 123.581 121.223 -0.151 0.000 2.333 428 L HA 0.344 4.690 4.340 0.009 0.000 0.280 428 L C -0.628 176.152 176.870 -0.150 0.000 1.004 428 L CA -0.917 53.829 54.840 -0.156 0.000 0.820 428 L CB 1.736 43.714 42.059 -0.134 0.000 1.247 428 L HN 0.693 nan 8.230 nan 0.000 0.416 429 L N 5.059 126.194 121.223 -0.148 0.000 2.295 429 L HA 0.264 4.609 4.340 0.009 0.000 0.288 429 L C 0.093 176.939 176.870 -0.040 0.000 1.079 429 L CA 0.407 55.175 54.840 -0.120 0.000 0.830 429 L CB 0.238 42.239 42.059 -0.098 0.000 1.200 429 L HN 0.552 nan 8.230 nan 0.000 0.438 430 N N 6.316 125.010 118.700 -0.011 0.000 2.422 430 N HA 0.295 5.041 4.740 0.009 0.000 0.266 430 N C -1.514 174.044 175.510 0.080 0.000 1.007 430 N CA -0.454 52.622 53.050 0.043 0.000 0.941 430 N CB 0.859 39.365 38.487 0.032 0.000 1.115 430 N HN 0.637 nan 8.380 nan 0.000 0.492 431 L N 2.888 124.167 121.223 0.093 0.000 2.313 431 L HA 0.428 4.774 4.340 0.009 0.000 0.283 431 L C -0.163 176.763 176.870 0.092 0.000 1.013 431 L CA -0.585 54.307 54.840 0.086 0.000 0.816 431 L CB 1.812 43.904 42.059 0.056 0.000 1.236 431 L HN 0.440 nan 8.230 nan 0.000 0.419 432 Q N 3.558 123.392 119.800 0.057 0.000 2.423 432 Q HA 0.661 5.006 4.340 0.009 0.000 0.278 432 Q C -1.243 174.668 176.000 -0.149 0.000 1.097 432 Q CA -0.733 55.050 55.803 -0.034 0.000 0.809 432 Q CB 3.511 32.177 28.738 -0.119 0.000 1.391 432 Q HN 0.509 nan 8.270 nan 0.000 0.428 433 I N 1.909 122.345 120.570 -0.223 0.000 2.389 433 I HA 0.360 4.535 4.170 0.009 0.000 0.288 433 I C -1.226 174.605 176.117 -0.476 0.000 0.999 433 I CA -0.738 60.411 61.300 -0.252 0.000 1.129 433 I CB 0.786 38.757 38.000 -0.048 0.000 1.288 433 I HN 0.496 nan 8.210 nan 0.000 0.444 434 Y N 4.858 124.824 120.300 -0.557 0.000 2.387 434 Y HA 0.507 5.063 4.550 0.009 0.000 0.336 434 Y C 0.275 175.874 175.900 -0.502 0.000 1.067 434 Y CA -0.288 57.443 58.100 -0.614 0.000 1.114 434 Y CB 1.803 39.608 38.460 -1.091 0.000 1.208 434 Y HN 0.580 nan 8.280 nan 0.000 0.458 461 L N 3.472 124.528 121.223 -0.279 0.000 2.577 461 L HA 0.380 4.725 4.340 0.009 0.000 0.225 461 L C -0.619 175.830 176.870 -0.701 0.000 1.053 461 L CA 0.184 54.772 54.840 -0.420 0.000 0.866 461 L CB 0.391 42.237 42.059 -0.356 0.000 1.132 461 L HN 0.535 nan 8.230 nan 0.000 0.486 462 Y N -1.119 119.149 120.300 -0.054 0.000 2.562 462 Y HA 0.497 5.052 4.550 0.009 0.000 0.345 462 Y C -0.718 175.213 175.900 0.051 0.000 1.045 462 Y CA -1.390 56.704 58.100 -0.009 0.000 1.028 462 Y CB 1.663 40.093 38.460 -0.050 0.000 1.297 462 Y HN -0.036 nan 8.280 nan 0.000 0.463 463 Y N -0.854 119.561 120.300 0.191 0.000 2.615 463 Y HA 0.913 5.469 4.550 0.010 0.000 0.341 463 Y C -1.967 174.063 175.900 0.216 0.000 1.089 463 Y CA -1.693 56.490 58.100 0.140 0.000 1.049 463 Y CB 1.712 40.236 38.460 0.107 0.000 1.296 463 Y HN 0.575 nan 8.280 nan 0.000 0.470 464 V N 2.448 122.554 119.914 0.320 0.000 3.036 464 V HA 0.404 4.530 4.120 0.009 0.000 0.288 464 V C -2.019 174.200 176.094 0.208 0.000 1.407 464 V CA -0.815 61.628 62.300 0.240 0.000 0.983 464 V CB 2.298 34.152 31.823 0.051 0.000 1.128 464 V HN 1.003 nan 8.190 nan 0.000 0.439 465 N N 3.975 122.796 118.700 0.203 0.000 2.319 465 N HA 0.774 5.520 4.740 0.009 0.000 0.305 465 N C -1.465 174.082 175.510 0.063 0.000 1.103 465 N CA -0.428 52.688 53.050 0.109 0.000 0.815 465 N CB 2.676 41.218 38.487 0.092 0.000 1.288 465 N HN 0.604 nan 8.380 nan 0.000 0.493 466 L N 1.189 122.404 121.223 -0.014 0.000 2.476 466 L HA 0.457 4.803 4.340 0.009 0.000 0.269 466 L C -1.207 175.591 176.870 -0.121 0.000 0.965 466 L CA -0.494 54.307 54.840 -0.065 0.000 0.845 466 L CB 1.401 43.345 42.059 -0.191 0.000 1.259 466 L HN 0.460 nan 8.230 nan 0.000 0.403 467 L N 5.796 126.952 121.223 -0.112 0.000 2.584 467 L HA 0.035 4.380 4.340 0.009 0.000 0.272 467 L C 1.261 178.048 176.870 -0.139 0.000 1.195 467 L CA 0.265 55.016 54.840 -0.149 0.000 0.920 467 L CB 0.593 42.562 42.059 -0.148 0.000 1.173 467 L HN 0.825 nan 8.230 nan 0.000 0.489 468 L N 4.502 125.628 121.223 -0.161 0.000 2.141 468 L HA -0.065 4.281 4.340 0.009 0.000 0.209 468 L C 0.298 177.104 176.870 -0.105 0.000 1.094 468 L CA 0.976 55.711 54.840 -0.174 0.000 0.763 468 L CB 0.023 41.900 42.059 -0.302 0.000 0.908 468 L HN 0.504 nan 8.230 nan 0.000 0.437 469 I N -0.581 119.952 120.570 -0.061 0.000 2.530 469 I HA 0.162 4.337 4.170 0.009 0.000 0.297 469 I C -0.120 176.019 176.117 0.036 0.000 1.011 469 I CA -0.933 60.353 61.300 -0.023 0.000 1.107 469 I CB 1.456 39.438 38.000 -0.029 0.000 1.285 469 I HN -0.014 nan 8.210 nan 0.000 0.436 470 D N 3.224 123.610 120.400 -0.024 0.000 2.478 470 D HA 0.095 4.740 4.640 0.009 0.000 0.269 470 D C 1.152 177.349 176.300 -0.172 0.000 1.232 470 D CA 0.031 54.019 54.000 -0.021 0.000 1.059 470 D CB 0.118 40.798 40.800 -0.199 0.000 1.104 470 D HN 0.653 nan 8.370 nan 0.000 0.566 471 H N -0.948 118.025 119.070 -0.162 0.000 2.545 471 H HA 0.071 4.633 4.556 0.009 0.000 0.282 471 H C 0.641 175.728 175.328 -0.401 0.000 1.020 471 H CA 0.577 56.377 56.048 -0.413 0.000 1.243 471 H CB -0.127 29.452 29.762 -0.304 0.000 1.377 471 H HN 0.326 nan 8.280 nan 0.000 0.581 472 R N -0.437 119.713 120.500 -0.583 0.000 2.468 472 R HA 0.108 4.454 4.340 0.009 0.000 0.280 472 R C -0.463 175.923 176.300 0.143 0.000 0.963 472 R CA -0.292 55.672 56.100 -0.226 0.000 1.083 472 R CB 0.167 30.246 30.300 -0.369 0.000 1.200 472 R HN 0.084 nan 8.270 nan 0.000 0.541 473 F N -0.135 119.712 119.950 -0.173 0.000 3.018 473 F HA -0.249 4.283 4.527 0.009 0.000 0.287 473 F C -0.292 175.485 175.800 -0.038 0.000 0.813 473 F CA 0.306 58.261 58.000 -0.074 0.000 1.209 473 F CB -1.698 37.279 39.000 -0.039 0.000 1.321 473 F HN 0.024 nan 8.300 nan 0.000 0.477 474 L N 0.595 121.846 121.223 0.047 0.000 2.325 474 L HA 0.568 4.913 4.340 0.009 0.000 0.278 474 L C 0.157 177.057 176.870 0.049 0.000 1.023 474 L CA -1.295 53.588 54.840 0.073 0.000 0.811 474 L CB 1.396 43.468 42.059 0.022 0.000 1.249 474 L HN 0.020 nan 8.230 nan 0.000 0.431 475 L N 2.995 124.266 121.223 0.080 0.000 2.360 475 L HA 0.246 4.592 4.340 0.009 0.000 0.276 475 L C 0.418 177.312 176.870 0.040 0.000 1.121 475 L CA 0.154 54.998 54.840 0.006 0.000 0.845 475 L CB 0.525 42.507 42.059 -0.129 0.000 1.143 475 L HN 0.454 nan 8.230 nan 0.000 0.452 476 R N 4.153 124.672 120.500 0.031 0.000 2.538 476 R HA 0.247 4.592 4.340 0.009 0.000 0.282 476 R C -0.469 175.923 176.300 0.153 0.000 1.009 476 R CA 0.632 56.774 56.100 0.069 0.000 1.063 476 R CB 0.217 30.489 30.300 -0.046 0.000 0.945 476 R HN 0.773 nan 8.270 nan 0.000 0.414 477 R N 2.182 122.819 120.500 0.228 0.000 2.626 477 R HA 0.580 4.926 4.340 0.009 0.000 0.274 477 R C -1.138 175.279 176.300 0.195 0.000 1.031 477 R CA 0.098 56.325 56.100 0.213 0.000 0.898 477 R CB 1.747 32.129 30.300 0.137 0.000 1.222 477 R HN 0.833 nan 8.270 nan 0.000 0.455 478 G N 1.914 110.791 108.800 0.129 0.000 2.343 478 G HA2 -0.075 3.890 3.960 0.009 0.000 0.562 478 G HA3 -0.075 3.890 3.960 0.009 0.000 0.562 478 G C -1.635 173.186 174.900 -0.132 0.000 1.269 478 G CA -0.892 44.169 45.100 -0.065 0.000 1.011 478 G HN 0.481 nan 8.290 nan 0.000 0.498 479 E N -0.204 119.819 120.200 -0.294 0.000 2.249 479 E HA 0.591 4.947 4.350 0.009 0.000 0.280 479 E C -1.190 175.125 176.600 -0.475 0.000 1.016 479 E CA -0.085 56.177 56.400 -0.230 0.000 0.830 479 E CB 1.595 31.202 29.700 -0.154 0.000 1.081 479 E HN 0.406 nan 8.360 nan 0.000 0.395 480 Y N -0.111 120.157 120.300 -0.052 0.000 2.442 480 Y HA 0.322 4.878 4.550 0.010 0.000 0.344 480 Y C -0.244 175.616 175.900 -0.066 0.000 0.976 480 Y CA -0.910 57.153 58.100 -0.062 0.000 1.040 480 Y CB 2.051 40.457 38.460 -0.089 0.000 1.228 480 Y HN 0.119 nan 8.280 nan 0.000 0.451 481 V N 5.424 125.379 119.914 0.069 0.000 2.357 481 V HA 0.368 4.493 4.120 0.009 0.000 0.281 481 V C -0.707 175.335 176.094 -0.086 0.000 1.015 481 V CA -0.684 61.590 62.300 -0.044 0.000 0.827 481 V CB 0.834 32.610 31.823 -0.079 0.000 1.018 481 V HN 0.557 nan 8.190 nan 0.000 0.432 482 L N 4.579 125.736 121.223 -0.110 0.000 2.282 482 L HA 0.574 4.920 4.340 0.009 0.000 0.288 482 L C 0.037 176.720 176.870 -0.311 0.000 1.033 482 L CA -0.621 54.150 54.840 -0.115 0.000 0.807 482 L CB 0.942 42.994 42.059 -0.010 0.000 1.209 482 L HN 0.518 nan 8.230 nan 0.000 0.423 483 H N 4.870 123.848 119.070 -0.154 0.000 2.723 483 H HA 0.360 4.921 4.556 0.009 0.000 0.294 483 H C -0.095 174.985 175.328 -0.414 0.000 1.079 483 H CA -0.194 55.702 56.048 -0.253 0.000 1.411 483 H CB 1.108 30.712 29.762 -0.264 0.000 1.439 483 H HN 0.521 nan 8.280 nan 0.000 0.474 484 M N 2.080 121.507 119.600 -0.288 0.000 2.197 484 M HA 0.191 4.677 4.480 0.009 0.000 0.305 484 M C -0.314 175.723 176.300 -0.438 0.000 1.162 484 M CA -0.169 54.925 55.300 -0.344 0.000 1.099 484 M CB 0.993 33.518 32.600 -0.125 0.000 1.430 484 M HN 0.407 nan 8.290 nan 0.000 0.481 485 W N 0.648 121.757 121.300 -0.318 0.000 2.469 485 W HA 0.457 5.122 4.660 0.009 0.000 0.320 485 W C -0.155 176.228 176.519 -0.227 0.000 1.086 485 W CA -0.451 56.656 57.345 -0.397 0.000 1.211 485 W CB 0.746 29.711 29.460 -0.825 0.000 1.298 485 W HN 0.481 nan 8.180 nan 0.000 0.525 486 Q N 2.627 122.534 119.800 0.178 0.000 2.257 486 Q HA 0.437 4.783 4.340 0.009 0.000 0.255 486 Q C -0.760 175.266 176.000 0.044 0.000 0.920 486 Q CA -0.806 54.996 55.803 -0.001 0.000 0.927 486 Q CB 0.927 29.692 28.738 0.045 0.000 1.229 486 Q HN 0.444 nan 8.270 nan 0.000 0.433 487 I N 2.992 123.545 120.570 -0.028 0.000 2.588 487 I HA 0.017 4.192 4.170 0.009 0.000 0.283 487 I C 0.094 176.215 176.117 0.007 0.000 1.119 487 I CA 0.518 61.855 61.300 0.062 0.000 1.419 487 I CB 1.362 39.376 38.000 0.024 0.000 1.394 487 I HN 0.619 nan 8.210 nan 0.000 0.562 488 S N 4.713 120.437 115.700 0.040 0.000 2.439 488 S HA 0.606 5.081 4.470 0.009 0.000 0.282 488 S C 0.486 175.086 174.600 -0.000 0.000 1.170 488 S CA -0.776 57.439 58.200 0.024 0.000 1.054 488 S CB 0.542 63.768 63.200 0.043 0.000 0.956 488 S HN 0.876 nan 8.310 nan 0.000 0.490 498 N N 2.332 121.153 118.700 0.202 0.000 2.482 498 N HA 0.319 5.065 4.740 0.009 0.000 0.260 498 N C 0.794 176.324 175.510 0.033 0.000 1.236 498 N CA 0.549 53.644 53.050 0.074 0.000 0.938 498 N CB 1.354 39.845 38.487 0.006 0.000 1.128 498 N HN 0.691 nan 8.380 nan 0.000 0.448 499 A N 2.172 124.997 122.820 0.007 0.000 1.915 499 A HA -0.275 4.051 4.320 0.009 0.000 0.220 499 A C 1.553 179.160 177.584 0.038 0.000 1.198 499 A CA 2.141 54.144 52.037 -0.056 0.000 0.647 499 A CB -0.897 17.899 19.000 -0.339 0.000 0.825 499 A HN 0.814 nan 8.150 nan 0.000 0.456 500 D N -0.498 119.880 120.400 -0.035 0.000 2.203 500 D HA -0.158 4.487 4.640 0.009 0.000 0.199 500 D C 1.798 178.040 176.300 -0.097 0.000 0.997 500 D CA 1.429 55.322 54.000 -0.179 0.000 0.863 500 D CB -0.258 40.149 40.800 -0.655 0.000 0.928 500 D HN 0.541 nan 8.370 nan 0.000 0.458 501 K N -0.213 120.096 120.400 -0.151 0.000 2.283 501 K HA -0.019 4.306 4.320 0.009 0.000 0.202 501 K C 1.451 177.978 176.600 -0.122 0.000 1.048 501 K CA 0.397 56.468 56.287 -0.360 0.000 0.948 501 K CB 0.042 32.303 32.500 -0.400 0.000 0.742 501 K HN 0.235 nan 8.250 nan 0.000 0.458 502 L N 0.560 121.777 121.223 -0.010 0.000 2.629 502 L HA 0.064 4.410 4.340 0.009 0.000 0.230 502 L C 0.919 177.821 176.870 0.053 0.000 1.151 502 L CA -0.147 54.709 54.840 0.027 0.000 0.924 502 L CB 0.187 42.280 42.059 0.056 0.000 1.137 502 L HN -0.085 nan 8.230 nan 0.000 0.457 503 T N -0.652 113.914 114.554 0.020 0.000 2.897 503 T HA 0.100 4.456 4.350 0.009 0.000 0.294 503 T C 1.264 175.977 174.700 0.022 0.000 1.004 503 T CA -0.007 62.035 62.100 -0.097 0.000 1.106 503 T CB 1.090 69.668 68.868 -0.484 0.000 0.949 503 T HN 0.346 nan 8.240 nan 0.000 0.520 504 S N 2.913 118.608 115.700 -0.008 0.000 2.593 504 S HA 0.393 4.869 4.470 0.009 0.000 0.217 504 S C 0.781 175.420 174.600 0.065 0.000 0.966 504 S CA -0.297 57.917 58.200 0.023 0.000 0.914 504 S CB 0.005 63.162 63.200 -0.071 0.000 0.776 504 S HN 0.852 nan 8.310 nan 0.000 0.523 505 A N 2.185 125.063 122.820 0.097 0.000 2.304 505 A HA 0.635 4.960 4.320 0.009 0.000 0.301 505 A C 0.495 178.272 177.584 0.322 0.000 1.132 505 A CA -0.442 51.678 52.037 0.138 0.000 0.819 505 A CB 0.466 19.532 19.000 0.109 0.000 1.094 505 A HN 0.500 nan 8.150 nan 0.000 0.492 506 T N 0.197 114.781 114.554 0.051 0.000 2.859 506 T HA 0.366 4.722 4.350 0.009 0.000 0.281 506 T C 0.114 174.423 174.700 -0.651 0.000 1.005 506 T CA -0.951 60.989 62.100 -0.266 0.000 1.025 506 T CB 0.791 69.568 68.868 -0.152 0.000 0.977 506 T HN 0.597 nan 8.240 nan 0.000 0.458 507 N N 2.783 120.630 118.700 -1.421 0.000 2.294 507 N HA 0.015 4.760 4.740 0.009 0.000 0.263 507 N C -1.710 173.466 175.510 -0.558 0.000 1.281 507 N CA -1.471 50.750 53.050 -1.381 0.000 0.846 507 N CB 0.954 38.783 38.487 -1.098 0.000 1.061 507 N HN 0.367 nan 8.380 nan 0.000 0.478 508 P HA -0.028 nan 4.420 nan 0.000 0.222 508 P C -0.243 176.943 177.300 -0.190 0.000 1.153 508 P CA 0.739 63.739 63.100 -0.166 0.000 0.798 508 P CB 0.176 31.859 31.700 -0.028 0.000 0.796 509 D N 0.029 120.308 120.400 -0.202 0.000 2.416 509 D HA 0.019 4.664 4.640 0.009 0.000 0.240 509 D C 0.776 176.902 176.300 -0.290 0.000 1.250 509 D CA 0.148 54.041 54.000 -0.178 0.000 0.967 509 D CB 0.365 41.099 40.800 -0.110 0.000 1.059 509 D HN -0.189 nan 8.370 nan 0.000 0.512 510 K N 1.821 121.992 120.400 -0.381 0.000 2.305 510 K HA 0.027 4.353 4.320 0.009 0.000 0.199 510 K C 1.594 177.992 176.600 -0.336 0.000 1.047 510 K CA 0.551 56.425 56.287 -0.688 0.000 0.976 510 K CB 0.349 32.430 32.500 -0.699 0.000 0.765 510 K HN 0.393 nan 8.250 nan 0.000 0.474 511 E N 0.470 120.558 120.200 -0.187 0.000 2.015 511 E HA -0.037 4.318 4.350 0.009 0.000 0.191 511 E C 0.487 177.051 176.600 -0.060 0.000 0.991 511 E CA 1.019 57.361 56.400 -0.096 0.000 0.802 511 E CB 0.096 29.753 29.700 -0.071 0.000 0.759 511 E HN 0.242 nan 8.360 nan 0.000 0.447 512 N N 0.627 119.293 118.700 -0.056 0.000 2.273 512 N HA 0.043 4.788 4.740 0.009 0.000 0.231 512 N C -0.639 174.863 175.510 -0.014 0.000 1.134 512 N CA 0.093 53.128 53.050 -0.025 0.000 0.856 512 N CB 1.041 39.521 38.487 -0.011 0.000 1.068 512 N HN 0.001 nan 8.380 nan 0.000 0.510 513 S N -0.034 115.647 115.700 -0.030 0.000 2.578 513 S HA 0.573 5.048 4.470 0.009 0.000 0.301 513 S C 0.058 174.634 174.600 -0.040 0.000 1.091 513 S CA -0.846 57.340 58.200 -0.024 0.000 1.032 513 S CB 2.281 65.436 63.200 -0.075 0.000 1.064 513 S HN 0.089 nan 8.310 nan 0.000 0.508 514 M N 2.889 122.389 119.600 -0.167 0.000 2.245 514 M HA 0.507 4.992 4.480 0.009 0.000 0.330 514 M C -0.186 175.974 176.300 -0.233 0.000 1.098 514 M CA 0.518 55.608 55.300 -0.350 0.000 1.172 514 M CB 0.568 32.546 32.600 -1.037 0.000 1.467 514 M HN 1.015 nan 8.290 nan 0.000 0.454 515 S N 4.884 120.450 115.700 -0.225 0.000 2.564 515 S HA 0.786 5.261 4.470 0.009 0.000 0.274 515 S C -1.059 173.423 174.600 -0.197 0.000 1.124 515 S CA -1.061 56.971 58.200 -0.279 0.000 0.869 515 S CB 1.196 64.129 63.200 -0.445 0.000 1.105 515 S HN 1.022 nan 8.310 nan 0.000 0.472 516 I N 1.511 121.975 120.570 -0.178 0.000 2.533 516 I HA 0.597 4.772 4.170 0.009 0.000 0.290 516 I C -1.147 174.924 176.117 -0.077 0.000 1.056 516 I CA -0.355 60.893 61.300 -0.088 0.000 1.057 516 I CB 2.148 40.114 38.000 -0.057 0.000 1.240 516 I HN 0.804 nan 8.210 nan 0.000 0.423 517 S N 8.076 123.752 115.700 -0.040 0.000 2.475 517 S HA 0.715 5.190 4.470 0.009 0.000 0.298 517 S C -0.481 174.111 174.600 -0.012 0.000 1.119 517 S CA -0.603 57.580 58.200 -0.028 0.000 1.085 517 S CB 1.399 64.579 63.200 -0.033 0.000 1.028 517 S HN 0.530 nan 8.310 nan 0.000 0.489 518 I N 0.191 120.766 120.570 0.008 0.000 3.102 518 I HA 0.713 4.888 4.170 0.009 0.000 0.310 518 I C -1.863 174.264 176.117 0.016 0.000 1.246 518 I CA -1.395 59.903 61.300 -0.003 0.000 0.979 518 I CB 1.570 39.585 38.000 0.025 0.000 1.267 518 I HN 0.590 nan 8.210 nan 0.000 0.451 519 L N 3.763 124.954 121.223 -0.054 0.000 2.381 519 L HA 0.722 5.067 4.340 0.009 0.000 0.274 519 L C -1.924 174.975 176.870 0.049 0.000 0.988 519 L CA -0.425 54.394 54.840 -0.035 0.000 0.824 519 L CB 1.554 43.510 42.059 -0.171 0.000 1.263 519 L HN 0.612 nan 8.230 nan 0.000 0.410 520 L N 4.744 126.066 121.223 0.166 0.000 2.333 520 L HA 0.645 4.991 4.340 0.009 0.000 0.280 520 L C -1.090 175.896 176.870 0.194 0.000 1.004 520 L CA 0.085 55.044 54.840 0.198 0.000 0.820 520 L CB 1.551 43.758 42.059 0.247 0.000 1.247 520 L HN 0.591 nan 8.230 nan 0.000 0.416 521 D N 3.684 124.197 120.400 0.189 0.000 2.375 521 D HA 0.407 5.053 4.640 0.009 0.000 0.241 521 D C -1.245 175.085 176.300 0.051 0.000 1.361 521 D CA -0.171 53.912 54.000 0.139 0.000 0.995 521 D CB 1.143 42.058 40.800 0.191 0.000 1.312 521 D HN 0.485 nan 8.370 nan 0.000 0.576 526 P HA 0.313 nan 4.420 nan 0.000 0.318 526 P C -0.020 177.385 177.300 0.175 0.000 1.309 526 P CA 0.116 63.367 63.100 0.252 0.000 0.736 526 P CB 0.650 32.442 31.700 0.153 0.000 1.440 527 I N -3.485 117.169 120.570 0.140 0.000 6.572 527 I HA -0.263 3.912 4.170 0.009 0.000 0.126 527 I C 0.723 176.868 176.117 0.047 0.000 1.771 527 I CA 0.499 61.872 61.300 0.121 0.000 2.241 527 I CB -2.501 35.652 38.000 0.255 0.000 3.401 527 I HN 0.303 nan 8.210 nan 0.000 0.227 545 A N 1.738 124.542 122.820 -0.028 0.000 2.605 545 A HA -0.077 4.248 4.320 0.009 0.000 0.271 545 A C -0.724 176.903 177.584 0.073 0.000 1.365 545 A CA 1.054 53.097 52.037 0.011 0.000 0.719 545 A CB -1.630 17.346 19.000 -0.040 0.000 1.130 545 A HN 0.500 nan 8.150 nan 0.000 0.361 546 E N 2.401 122.642 120.200 0.068 0.000 2.259 546 E HA 0.602 4.957 4.350 0.009 0.000 0.281 546 E C 0.773 177.424 176.600 0.085 0.000 1.027 546 E CA -0.491 55.951 56.400 0.071 0.000 0.838 546 E CB 0.452 30.172 29.700 0.033 0.000 1.066 546 E HN 0.558 nan 8.360 nan 0.000 0.401 547 M N 5.617 125.245 119.600 0.045 0.000 2.255 547 M HA 0.039 4.524 4.480 0.009 0.000 0.356 547 M C -1.814 174.438 176.300 -0.080 0.000 1.338 547 M CA -0.845 54.390 55.300 -0.108 0.000 0.962 547 M CB 0.064 32.468 32.600 -0.327 0.000 1.877 547 M HN 0.428 nan 8.290 nan 0.000 0.463 548 P HA 0.094 nan 4.420 nan 0.000 0.272 548 P C 0.083 177.337 177.300 -0.077 0.000 1.223 548 P CA -0.184 62.893 63.100 -0.039 0.000 0.784 548 P CB 0.536 32.232 31.700 -0.007 0.000 0.923 549 N N 1.762 120.432 118.700 -0.049 0.000 2.011 549 N HA -0.269 4.477 4.740 0.009 0.000 0.199 549 N C 1.382 176.853 175.510 -0.066 0.000 1.047 549 N CA 2.026 55.045 53.050 -0.052 0.000 0.863 549 N CB -0.343 38.125 38.487 -0.032 0.000 1.056 549 N HN 0.351 nan 8.380 nan 0.000 0.427 550 Q N -0.456 119.311 119.800 -0.055 0.000 2.364 550 Q HA 0.129 4.475 4.340 0.009 0.000 0.207 550 Q C 1.902 177.854 176.000 -0.080 0.000 0.970 550 Q CA 0.554 56.324 55.803 -0.055 0.000 0.888 550 Q CB 0.006 28.722 28.738 -0.035 0.000 0.951 550 Q HN 0.459 nan 8.270 nan 0.000 0.469 551 L N -0.264 120.890 121.223 -0.116 0.000 2.131 551 L HA -0.060 4.286 4.340 0.009 0.000 0.206 551 L C 2.420 179.147 176.870 -0.239 0.000 1.087 551 L CA 1.016 55.753 54.840 -0.171 0.000 0.767 551 L CB -0.295 41.631 42.059 -0.221 0.000 0.917 551 L HN 0.225 nan 8.230 nan 0.000 0.441 552 R N 0.843 121.196 120.500 -0.246 0.000 2.120 552 R HA -0.186 4.160 4.340 0.009 0.000 0.234 552 R C 2.049 178.257 176.300 -0.152 0.000 1.123 552 R CA 1.391 57.358 56.100 -0.223 0.000 0.975 552 R CB -0.035 30.166 30.300 -0.166 0.000 0.866 552 R HN 0.244 nan 8.270 nan 0.000 0.446 553 K N 0.293 120.625 120.400 -0.114 0.000 2.057 553 K HA -0.132 4.193 4.320 0.009 0.000 0.206 553 K C 2.289 178.840 176.600 -0.081 0.000 1.050 553 K CA 1.749 57.985 56.287 -0.084 0.000 0.935 553 K CB -0.032 32.432 32.500 -0.060 0.000 0.715 553 K HN 0.276 nan 8.250 nan 0.000 0.439 554 Q N 0.585 120.336 119.800 -0.081 0.000 2.124 554 Q HA -0.166 4.180 4.340 0.009 0.000 0.202 554 Q C 2.084 178.041 176.000 -0.071 0.000 0.977 554 Q CA 1.121 56.888 55.803 -0.061 0.000 0.850 554 Q CB -0.052 28.657 28.738 -0.048 0.000 0.901 554 Q HN 0.169 nan 8.270 nan 0.000 0.429 555 L N 1.021 122.180 121.223 -0.107 0.000 1.994 555 L HA -0.215 4.131 4.340 0.009 0.000 0.208 555 L C 1.789 178.578 176.870 -0.135 0.000 1.071 555 L CA 1.881 56.649 54.840 -0.120 0.000 0.745 555 L CB -0.214 41.741 42.059 -0.173 0.000 0.892 555 L HN 0.166 nan 8.230 nan 0.000 0.431 556 E N -0.585 119.523 120.200 -0.152 0.000 2.153 556 E HA -0.220 4.136 4.350 0.009 0.000 0.194 556 E C 2.111 178.656 176.600 -0.092 0.000 0.988 556 E CA 0.965 57.274 56.400 -0.152 0.000 0.811 556 E CB -0.294 29.329 29.700 -0.128 0.000 0.746 556 E HN 0.672 nan 8.360 nan 0.000 0.466 557 A N 1.168 123.946 122.820 -0.069 0.000 1.873 557 A HA -0.166 4.160 4.320 0.009 0.000 0.215 557 A C 2.101 179.664 177.584 -0.036 0.000 1.186 557 A CA 1.035 53.046 52.037 -0.044 0.000 0.616 557 A CB -0.417 18.562 19.000 -0.035 0.000 0.823 557 A HN 0.083 nan 8.150 nan 0.000 0.442 558 I N 0.547 121.094 120.570 -0.038 0.000 2.194 558 I HA -0.242 3.933 4.170 0.009 0.000 0.246 558 I C 2.057 178.161 176.117 -0.022 0.000 1.093 558 I CA 1.014 62.300 61.300 -0.024 0.000 1.355 558 I CB -0.389 37.599 38.000 -0.021 0.000 1.046 558 I HN 0.264 nan 8.210 nan 0.000 0.413 559 I N 0.166 120.709 120.570 -0.045 0.000 2.439 559 I HA -0.137 4.039 4.170 0.009 0.000 0.251 559 I C 2.516 178.626 176.117 -0.012 0.000 1.139 559 I CA 1.306 62.586 61.300 -0.034 0.000 1.438 559 I CB -1.842 36.109 38.000 -0.081 0.000 1.085 559 I HN 0.165 nan 8.210 nan 0.000 0.427 560 A N 0.591 123.398 122.820 -0.021 0.000 2.119 560 A HA -0.045 4.280 4.320 0.009 0.000 0.216 560 A C 1.481 179.064 177.584 -0.003 0.000 1.152 560 A CA 0.831 52.862 52.037 -0.011 0.000 0.708 560 A CB -1.007 17.982 19.000 -0.018 0.000 0.805 560 A HN 0.524 nan 8.150 nan 0.000 0.460 561 T N 0.684 115.237 114.554 -0.000 0.000 2.903 561 T HA 0.248 4.603 4.350 0.009 0.000 0.314 561 T C 0.181 174.890 174.700 0.015 0.000 1.078 561 T CA -0.109 61.995 62.100 0.006 0.000 1.114 561 T CB 0.261 69.134 68.868 0.008 0.000 0.987 561 T HN 0.518 nan 8.240 nan 0.000 0.548 562 D N 2.339 122.748 120.400 0.016 0.000 2.354 562 D HA 0.054 4.699 4.640 0.009 0.000 0.238 562 D C -1.936 174.387 176.300 0.038 0.000 1.250 562 D CA -1.563 52.451 54.000 0.023 0.000 0.911 562 D CB 0.148 40.959 40.800 0.018 0.000 1.163 562 D HN 0.250 nan 8.370 nan 0.000 0.456 563 P HA 0.040 nan 4.420 nan 0.000 0.226 563 P C 0.985 178.323 177.300 0.063 0.000 1.153 563 P CA 0.754 63.895 63.100 0.067 0.000 0.777 563 P CB 0.126 31.871 31.700 0.075 0.000 0.794 564 L N -2.078 119.178 121.223 0.054 0.000 2.628 564 L HA 0.156 4.502 4.340 0.009 0.000 0.229 564 L C 0.706 177.600 176.870 0.040 0.000 1.137 564 L CA -0.269 54.602 54.840 0.052 0.000 0.909 564 L CB -0.559 41.538 42.059 0.063 0.000 1.137 564 L HN -0.090 nan 8.230 nan 0.000 0.470 565 N N 2.114 120.836 118.700 0.036 0.000 2.470 565 N HA 0.157 4.903 4.740 0.009 0.000 0.268 565 N C -2.165 173.362 175.510 0.028 0.000 1.136 565 N CA -1.372 51.694 53.050 0.028 0.000 0.961 565 N CB 0.802 39.302 38.487 0.022 0.000 1.067 565 N HN -0.067 nan 8.380 nan 0.000 0.468 566 P HA 0.072 nan 4.420 nan 0.000 0.271 566 P C -0.805 176.507 177.300 0.020 0.000 1.218 566 P CA 0.000 63.112 63.100 0.020 0.000 0.780 566 P CB 0.879 32.590 31.700 0.018 0.000 0.901 567 L N 2.312 123.547 121.223 0.019 0.000 2.265 567 L HA 0.241 4.586 4.340 0.009 0.000 0.289 567 L C 0.998 177.878 176.870 0.016 0.000 1.033 567 L CA -0.420 54.432 54.840 0.021 0.000 0.814 567 L CB 1.309 43.385 42.059 0.029 0.000 1.203 567 L HN 0.387 nan 8.230 nan 0.000 0.423 568 T N 1.772 116.335 114.554 0.015 0.000 2.860 568 T HA 0.102 4.458 4.350 0.009 0.000 0.299 568 T C 1.308 176.016 174.700 0.014 0.000 1.045 568 T CA 0.260 62.367 62.100 0.013 0.000 1.071 568 T CB 1.635 70.511 68.868 0.013 0.000 0.985 568 T HN 0.766 nan 8.240 nan 0.000 0.537 569 A N 1.395 124.220 122.820 0.009 0.000 1.883 569 A HA -0.124 4.202 4.320 0.009 0.000 0.217 569 A C 2.225 179.820 177.584 0.018 0.000 1.186 569 A CA 1.499 53.540 52.037 0.006 0.000 0.624 569 A CB -0.606 18.393 19.000 -0.001 0.000 0.822 569 A HN 0.916 nan 8.150 nan 0.000 0.444 570 E N -0.028 120.184 120.200 0.019 0.000 2.049 570 E HA -0.249 4.106 4.350 0.009 0.000 0.198 570 E C 1.633 178.259 176.600 0.043 0.000 1.007 570 E CA 1.750 58.167 56.400 0.028 0.000 0.809 570 E CB -0.316 29.397 29.700 0.021 0.000 0.749 570 E HN 0.586 nan 8.360 nan 0.000 0.450 571 D N 0.386 120.807 120.400 0.035 0.000 2.116 571 D HA -0.170 4.476 4.640 0.009 0.000 0.193 571 D C 1.912 178.247 176.300 0.058 0.000 0.998 571 D CA 1.237 55.260 54.000 0.040 0.000 0.836 571 D CB -0.225 40.592 40.800 0.027 0.000 0.951 571 D HN 0.212 nan 8.370 nan 0.000 0.449 572 K N 0.629 121.060 120.400 0.052 0.000 2.097 572 K HA -0.082 4.244 4.320 0.009 0.000 0.205 572 K C 2.128 178.797 176.600 0.114 0.000 1.050 572 K CA 0.768 57.094 56.287 0.064 0.000 0.938 572 K CB -0.059 32.456 32.500 0.025 0.000 0.718 572 K HN 0.261 nan 8.250 nan 0.000 0.442 573 E N 1.204 121.462 120.200 0.098 0.000 2.077 573 E HA -0.150 4.205 4.350 0.009 0.000 0.193 573 E C 2.147 178.866 176.600 0.198 0.000 0.989 573 E CA 0.701 57.185 56.400 0.139 0.000 0.800 573 E CB -0.073 29.672 29.700 0.074 0.000 0.746 573 E HN 0.224 nan 8.360 nan 0.000 0.452 574 L N 0.631 121.962 121.223 0.180 0.000 1.976 574 L HA -0.221 4.125 4.340 0.009 0.000 0.209 574 L C 2.385 179.424 176.870 0.282 0.000 1.071 574 L CA 0.823 55.823 54.840 0.267 0.000 0.746 574 L CB -0.264 41.897 42.059 0.169 0.000 0.890 574 L HN 0.228 nan 8.230 nan 0.000 0.432 575 L N -0.688 120.634 121.223 0.165 0.000 2.081 575 L HA -0.329 4.017 4.340 0.009 0.000 0.212 575 L C 2.141 179.081 176.870 0.118 0.000 1.080 575 L CA 1.941 56.845 54.840 0.106 0.000 0.754 575 L CB -1.497 40.593 42.059 0.052 0.000 0.893 575 L HN 0.565 nan 8.230 nan 0.000 0.433 576 W N -0.382 120.915 121.300 -0.006 0.000 2.409 576 W HA -0.194 4.467 4.660 0.001 0.000 0.299 576 W C 2.646 179.140 176.519 -0.042 0.000 1.203 576 W CA 1.328 58.641 57.345 -0.054 0.000 1.298 576 W CB -0.370 29.050 29.460 -0.066 0.000 1.127 576 W HN 0.339 nan 8.180 nan 0.000 0.528 577 H N -0.620 118.350 119.070 -0.167 0.000 2.353 577 H HA -0.158 4.405 4.556 0.011 0.000 0.300 577 H C 0.384 175.356 175.328 -0.593 0.000 1.090 577 H CA 1.503 57.291 56.048 -0.434 0.000 1.327 577 H CB -0.576 28.919 29.762 -0.445 0.000 1.383 577 H HN -0.015 nan 8.280 nan 0.000 0.508 578 F N 0.886 120.759 119.950 -0.128 0.000 2.986 578 F HA 0.242 4.765 4.527 -0.007 0.000 0.297 578 F C 1.792 177.479 175.800 -0.188 0.000 1.210 578 F CA -0.356 57.555 58.000 -0.147 0.000 1.346 578 F CB 0.072 39.045 39.000 -0.044 0.000 1.007 578 F HN -0.066 nan 8.300 nan 0.000 0.512 579 R N -0.421 119.912 120.500 -0.278 0.000 2.140 579 R HA -0.248 4.097 4.340 0.009 0.000 0.250 579 R C 1.337 177.391 176.300 -0.410 0.000 1.150 579 R CA 2.147 57.955 56.100 -0.487 0.000 0.966 579 R CB -0.298 29.458 30.300 -0.906 0.000 0.869 579 R HN 0.392 nan 8.270 nan 0.000 0.445 580 Y N -0.852 119.339 120.300 -0.182 0.000 2.395 580 Y HA -0.066 4.487 4.550 0.006 0.000 0.293 580 Y C 2.235 178.128 175.900 -0.012 0.000 1.123 580 Y CA 0.979 59.022 58.100 -0.094 0.000 1.227 580 Y CB 0.016 38.418 38.460 -0.097 0.000 1.012 580 Y HN 0.122 nan 8.280 nan 0.000 0.552 581 E N 0.182 120.475 120.200 0.156 0.000 2.046 581 E HA -0.124 4.232 4.350 0.009 0.000 0.190 581 E C 2.196 178.903 176.600 0.179 0.000 0.982 581 E CA 1.686 58.185 56.400 0.164 0.000 0.800 581 E CB -0.340 29.451 29.700 0.152 0.000 0.756 581 E HN 0.166 nan 8.360 nan 0.000 0.449 582 S N 0.691 116.441 115.700 0.083 0.000 2.380 582 S HA -0.220 4.256 4.470 0.009 0.000 0.229 582 S C 1.880 176.511 174.600 0.052 0.000 1.043 582 S CA 1.327 59.548 58.200 0.035 0.000 1.038 582 S CB -0.592 62.534 63.200 -0.124 0.000 0.872 582 S HN 0.465 nan 8.310 nan 0.000 0.456 583 L N 0.904 122.101 121.223 -0.043 0.000 2.642 583 L HA -0.026 4.319 4.340 0.009 0.000 0.236 583 L C 1.481 178.472 176.870 0.201 0.000 1.169 583 L CA 1.218 56.054 54.840 -0.007 0.000 0.851 583 L CB -0.156 41.856 42.059 -0.077 0.000 0.968 583 L HN 0.170 nan 8.230 nan 0.000 0.453 584 K N -1.248 119.239 120.400 0.145 0.000 2.393 584 K HA 0.135 4.461 4.320 0.009 0.000 0.193 584 K C -0.243 176.228 176.600 -0.215 0.000 1.026 584 K CA 0.061 56.330 56.287 -0.031 0.000 1.064 584 K CB 0.234 32.646 32.500 -0.147 0.000 0.833 584 K HN 0.418 nan 8.250 nan 0.000 0.521 585 H N 0.359 119.550 119.070 0.203 0.000 2.691 585 H HA 0.135 4.700 4.556 0.015 0.000 0.281 585 H C -2.219 173.311 175.328 0.337 0.000 1.121 585 H CA -2.047 54.114 56.048 0.187 0.000 1.254 585 H CB 1.533 31.360 29.762 0.109 0.000 1.390 585 H HN -0.127 nan 8.280 nan 0.000 0.491 586 P HA -0.177 nan 4.420 nan 0.000 0.216 586 P C 1.276 178.786 177.300 0.350 0.000 1.150 586 P CA 1.504 64.726 63.100 0.203 0.000 0.843 586 P CB 0.346 32.017 31.700 -0.049 0.000 0.787 587 K N -1.076 119.471 120.400 0.245 0.000 2.515 587 K HA 0.009 4.334 4.320 0.009 0.000 0.196 587 K C 1.805 178.530 176.600 0.209 0.000 1.038 587 K CA 0.966 57.369 56.287 0.193 0.000 0.967 587 K CB -0.273 32.295 32.500 0.114 0.000 0.780 587 K HN 0.120 nan 8.250 nan 0.000 0.483 588 A N 0.111 123.099 122.820 0.280 0.000 2.030 588 A HA -0.038 4.288 4.320 0.009 0.000 0.215 588 A C 1.330 178.937 177.584 0.038 0.000 1.164 588 A CA 0.335 52.449 52.037 0.128 0.000 0.697 588 A CB -0.330 18.714 19.000 0.073 0.000 0.827 588 A HN 0.155 nan 8.150 nan 0.000 0.457 589 Y N 0.681 120.943 120.300 -0.063 0.000 2.062 589 Y HA -0.235 4.322 4.550 0.011 0.000 0.273 589 Y C -0.202 175.564 175.900 -0.224 0.000 1.206 589 Y CA 2.824 60.789 58.100 -0.225 0.000 1.125 589 Y CB -1.974 36.447 38.460 -0.065 0.000 0.951 589 Y HN 0.295 nan 8.280 nan 0.000 0.501 590 P HA -0.153 nan 4.420 nan 0.000 0.215 590 P C 1.504 178.945 177.300 0.235 0.000 1.157 590 P CA 1.958 65.134 63.100 0.126 0.000 0.863 590 P CB 0.022 31.799 31.700 0.128 0.000 0.787 591 K N -0.670 119.792 120.400 0.103 0.000 2.057 591 K HA -0.119 4.207 4.320 0.009 0.000 0.207 591 K C 2.033 178.638 176.600 0.008 0.000 1.049 591 K CA 1.040 57.372 56.287 0.075 0.000 0.931 591 K CB -1.322 31.197 32.500 0.032 0.000 0.714 591 K HN 0.144 nan 8.250 nan 0.000 0.440 592 L N 0.503 121.613 121.223 -0.189 0.000 2.046 592 L HA -0.077 4.269 4.340 0.009 0.000 0.208 592 L C 1.877 178.598 176.870 -0.247 0.000 1.077 592 L CA 1.574 56.208 54.840 -0.343 0.000 0.747 592 L CB -0.501 41.124 42.059 -0.723 0.000 0.896 592 L HN 0.030 nan 8.230 nan 0.000 0.432 593 F N -1.413 118.668 119.950 0.218 0.000 2.802 593 F HA 0.031 4.567 4.527 0.015 0.000 0.300 593 F C 2.131 178.244 175.800 0.523 0.000 1.168 593 F CA 0.378 58.626 58.000 0.414 0.000 1.433 593 F CB -0.216 39.097 39.000 0.523 0.000 1.115 593 F HN 0.024 nan 8.300 nan 0.000 0.582 594 S N -1.168 114.791 115.700 0.431 0.000 2.503 594 S HA -0.037 4.439 4.470 0.009 0.000 0.217 594 S C 1.887 176.573 174.600 0.144 0.000 0.999 594 S CA 0.421 58.781 58.200 0.268 0.000 0.914 594 S CB 0.041 63.345 63.200 0.173 0.000 0.782 594 S HN 0.178 nan 8.310 nan 0.000 0.520 595 S N 1.012 116.771 115.700 0.099 0.000 2.528 595 S HA 0.179 4.655 4.470 0.009 0.000 0.219 595 S C 0.662 175.159 174.600 -0.171 0.000 0.985 595 S CA -0.079 58.126 58.200 0.008 0.000 0.914 595 S CB 0.159 63.399 63.200 0.067 0.000 0.776 595 S HN 0.190 nan 8.310 nan 0.000 0.526 596 V N 2.834 122.580 119.914 -0.281 0.000 2.811 596 V HA 0.112 4.238 4.120 0.009 0.000 0.302 596 V C 0.395 175.975 176.094 -0.856 0.000 1.063 596 V CA -0.097 61.700 62.300 -0.838 0.000 1.088 596 V CB 0.771 31.834 31.823 -1.267 0.000 0.982 596 V HN 0.228 nan 8.190 nan 0.000 0.485 597 K N 3.878 123.749 120.400 -0.882 0.000 2.257 597 K HA 0.169 4.494 4.320 0.009 0.000 0.270 597 K C -0.054 176.222 176.600 -0.539 0.000 1.098 597 K CA -0.012 55.950 56.287 -0.541 0.000 0.943 597 K CB 0.592 32.817 32.500 -0.459 0.000 1.316 597 K HN 0.705 nan 8.250 nan 0.000 0.447 598 W N 1.048 122.205 121.300 -0.239 0.000 2.937 598 W HA 0.011 4.679 4.660 0.012 0.000 0.245 598 W C 1.745 178.073 176.519 -0.318 0.000 1.306 598 W CA -0.158 56.999 57.345 -0.314 0.000 1.470 598 W CB 0.403 29.617 29.460 -0.411 0.000 1.132 598 W HN 0.697 nan 8.180 nan 0.000 0.675 599 G N -0.747 108.006 108.800 -0.077 0.000 2.985 599 G HA2 -0.013 3.953 3.960 0.009 0.000 0.209 599 G HA3 -0.013 3.953 3.960 0.009 0.000 0.209 599 G C 0.564 175.398 174.900 -0.111 0.000 1.165 599 G CA 0.000 45.046 45.100 -0.091 0.000 0.776 599 G HN -0.057 nan 8.290 nan 0.000 0.541 600 Q N 0.288 119.996 119.800 -0.154 0.000 2.357 600 Q HA 0.238 4.584 4.340 0.009 0.000 0.266 600 Q C 0.758 176.669 176.000 -0.149 0.000 1.021 600 Q CA -0.531 55.182 55.803 -0.151 0.000 0.784 600 Q CB 1.924 30.548 28.738 -0.189 0.000 1.243 600 Q HN 0.293 nan 8.270 nan 0.000 0.465 601 Q N 2.931 122.668 119.800 -0.105 0.000 2.082 601 Q HA -0.270 4.075 4.340 0.009 0.000 0.211 601 Q C 0.708 176.643 176.000 -0.108 0.000 1.002 601 Q CA 2.638 58.384 55.803 -0.095 0.000 0.868 601 Q CB 0.302 29.005 28.738 -0.058 0.000 0.931 601 Q HN 0.597 nan 8.270 nan 0.000 0.414 602 E N -0.226 119.923 120.200 -0.085 0.000 2.110 602 E HA -0.102 4.253 4.350 0.009 0.000 0.193 602 E C 1.996 178.557 176.600 -0.065 0.000 0.988 602 E CA 1.418 57.782 56.400 -0.060 0.000 0.804 602 E CB -0.182 29.499 29.700 -0.030 0.000 0.745 602 E HN 0.474 nan 8.360 nan 0.000 0.458 603 I N -0.112 120.381 120.570 -0.129 0.000 2.163 603 I HA -0.261 3.915 4.170 0.009 0.000 0.240 603 I C 2.127 178.108 176.117 -0.228 0.000 1.081 603 I CA 0.737 61.921 61.300 -0.193 0.000 1.353 603 I CB -0.255 37.481 38.000 -0.440 0.000 1.054 603 I HN 0.003 nan 8.210 nan 0.000 0.407 604 V N 1.221 120.945 119.914 -0.316 0.000 2.282 604 V HA -0.386 3.740 4.120 0.009 0.000 0.249 604 V C 2.724 178.619 176.094 -0.331 0.000 1.057 604 V CA 2.199 64.298 62.300 -0.336 0.000 1.032 604 V CB -1.123 30.553 31.823 -0.245 0.000 0.645 604 V HN 0.551 nan 8.190 nan 0.000 0.447 605 A N -0.772 121.893 122.820 -0.258 0.000 1.948 605 A HA -0.281 4.045 4.320 0.009 0.000 0.220 605 A C 2.304 179.874 177.584 -0.024 0.000 1.177 605 A CA 2.175 54.101 52.037 -0.184 0.000 0.636 605 A CB -0.431 18.514 19.000 -0.091 0.000 0.815 605 A HN 0.587 nan 8.150 nan 0.000 0.449 606 K N -1.241 119.187 120.400 0.048 0.000 2.076 606 K HA -0.053 4.273 4.320 0.009 0.000 0.204 606 K C 2.106 178.825 176.600 0.198 0.000 1.051 606 K CA 1.483 57.863 56.287 0.154 0.000 0.949 606 K CB -0.357 32.305 32.500 0.270 0.000 0.726 606 K HN 0.472 nan 8.250 nan 0.000 0.443 607 T N 0.908 115.605 114.554 0.238 0.000 2.699 607 T HA -0.184 4.171 4.350 0.009 0.000 0.268 607 T C 1.705 176.621 174.700 0.360 0.000 1.036 607 T CA 1.373 63.652 62.100 0.299 0.000 1.147 607 T CB -0.445 68.545 68.868 0.204 0.000 0.862 607 T HN 0.308 nan 8.240 nan 0.000 0.446 608 Y N 1.431 121.791 120.300 0.101 0.000 2.224 608 Y HA -0.170 4.385 4.550 0.008 0.000 0.289 608 Y C 2.974 178.915 175.900 0.069 0.000 1.146 608 Y CA 0.548 58.697 58.100 0.082 0.000 1.182 608 Y CB -0.209 38.302 38.460 0.085 0.000 0.983 608 Y HN 0.301 nan 8.280 nan 0.000 0.524 609 Q N 0.077 120.025 119.800 0.246 0.000 2.167 609 Q HA -0.185 4.161 4.340 0.009 0.000 0.202 609 Q C 2.307 178.390 176.000 0.139 0.000 0.970 609 Q CA 0.918 56.822 55.803 0.167 0.000 0.855 609 Q CB -0.036 28.790 28.738 0.147 0.000 0.911 609 Q HN 0.556 nan 8.270 nan 0.000 0.438 610 L N 0.424 121.708 121.223 0.102 0.000 1.988 610 L HA -0.191 4.155 4.340 0.009 0.000 0.207 610 L C 2.125 179.027 176.870 0.052 0.000 1.071 610 L CA 1.185 56.015 54.840 -0.016 0.000 0.744 610 L CB -0.253 41.742 42.059 -0.108 0.000 0.893 610 L HN 0.316 nan 8.230 nan 0.000 0.433 611 L N -0.509 120.766 121.223 0.087 0.000 2.261 611 L HA -0.206 4.139 4.340 0.009 0.000 0.216 611 L C 2.724 179.632 176.870 0.063 0.000 1.114 611 L CA 0.773 55.648 54.840 0.058 0.000 0.777 611 L CB -0.752 41.291 42.059 -0.027 0.000 0.910 611 L HN 0.314 nan 8.230 nan 0.000 0.440 612 A N 1.209 124.078 122.820 0.081 0.000 1.902 612 A HA -0.166 4.160 4.320 0.009 0.000 0.217 612 A C 1.595 179.233 177.584 0.091 0.000 1.181 612 A CA 1.045 53.130 52.037 0.080 0.000 0.623 612 A CB -0.404 18.651 19.000 0.092 0.000 0.818 612 A HN 0.545 nan 8.150 nan 0.000 0.443 613 R N -0.467 120.100 120.500 0.112 0.000 3.171 613 R HA 0.417 4.762 4.340 0.009 0.000 0.241 613 R C 0.361 176.746 176.300 0.141 0.000 1.421 613 R CA -0.345 55.829 56.100 0.123 0.000 1.444 613 R CB 0.037 30.425 30.300 0.148 0.000 1.247 613 R HN 0.334 nan 8.270 nan 0.000 0.636 614 R N 1.215 121.801 120.500 0.143 0.000 2.334 614 R HA -0.004 4.341 4.340 0.009 0.000 0.216 614 R C 0.657 177.081 176.300 0.206 0.000 0.905 614 R CA -0.020 56.201 56.100 0.200 0.000 1.064 614 R CB 0.285 30.700 30.300 0.191 0.000 1.046 614 R HN 0.499 nan 8.270 nan 0.000 0.508 615 E N 0.437 120.722 120.200 0.142 0.000 2.164 615 E HA -0.318 4.038 4.350 0.009 0.000 0.233 615 E C 1.850 178.514 176.600 0.107 0.000 1.073 615 E CA 2.060 58.523 56.400 0.105 0.000 0.941 615 E CB -0.705 29.043 29.700 0.079 0.000 0.820 615 E HN 0.150 nan 8.360 nan 0.000 0.486 616 V N 1.270 121.259 119.914 0.125 0.000 2.250 616 V HA -0.274 3.851 4.120 0.009 0.000 0.250 616 V C 2.181 178.325 176.094 0.084 0.000 1.060 616 V CA 2.362 64.721 62.300 0.097 0.000 1.030 616 V CB -0.823 31.076 31.823 0.127 0.000 0.643 616 V HN 0.455 nan 8.190 nan 0.000 0.445 617 W N 1.331 122.604 121.300 -0.046 0.000 2.333 617 W HA -0.213 4.452 4.660 0.008 0.000 0.316 617 W C 2.195 178.646 176.519 -0.114 0.000 1.215 617 W CA 2.160 59.406 57.345 -0.166 0.000 1.278 617 W CB -0.410 28.950 29.460 -0.167 0.000 1.154 617 W HN 0.360 nan 8.180 nan 0.000 0.486 618 D N -0.005 120.451 120.400 0.094 0.000 2.265 618 D HA -0.194 4.452 4.640 0.009 0.000 0.208 618 D C 1.828 178.063 176.300 -0.108 0.000 0.977 618 D CA 1.456 55.449 54.000 -0.011 0.000 0.871 618 D CB -0.432 40.418 40.800 0.084 0.000 0.925 618 D HN 0.488 nan 8.370 nan 0.000 0.485 619 Q N 0.072 119.813 119.800 -0.098 0.000 2.282 619 Q HA 0.085 4.430 4.340 0.009 0.000 0.206 619 Q C 0.450 176.352 176.000 -0.163 0.000 0.878 619 Q CA -0.190 55.549 55.803 -0.106 0.000 0.944 619 Q CB 0.649 29.355 28.738 -0.055 0.000 1.100 619 Q HN 0.109 nan 8.270 nan 0.000 0.509 620 S N 0.380 115.922 115.700 -0.263 0.000 2.585 620 S HA 0.463 4.938 4.470 0.009 0.000 0.273 620 S C 0.301 174.720 174.600 -0.301 0.000 1.339 620 S CA -0.669 57.351 58.200 -0.301 0.000 1.028 620 S CB 1.237 64.171 63.200 -0.443 0.000 0.906 620 S HN 0.236 nan 8.310 nan 0.000 0.528 621 A N 2.815 125.497 122.820 -0.230 0.000 2.451 621 A HA 0.390 4.716 4.320 0.009 0.000 0.266 621 A C 0.271 177.711 177.584 -0.241 0.000 1.119 621 A CA -0.626 51.295 52.037 -0.193 0.000 0.786 621 A CB -0.438 18.478 19.000 -0.140 0.000 1.061 621 A HN 1.160 nan 8.150 nan 0.000 0.503 622 L N 2.619 123.704 121.223 -0.230 0.000 2.706 622 L HA -0.002 4.343 4.340 0.009 0.000 0.282 622 L C -0.191 176.556 176.870 -0.205 0.000 1.219 622 L CA 0.899 55.593 54.840 -0.245 0.000 0.935 622 L CB -0.036 41.915 42.059 -0.180 0.000 1.204 622 L HN 0.643 nan 8.230 nan 0.000 0.491 623 D N 4.237 124.494 120.400 -0.238 0.000 2.461 623 D HA 0.163 4.808 4.640 0.009 0.000 0.240 623 D C 0.980 177.183 176.300 -0.162 0.000 1.094 623 D CA -0.359 53.541 54.000 -0.168 0.000 0.868 623 D CB 1.414 42.118 40.800 -0.159 0.000 1.062 623 D HN 0.410 nan 8.370 nan 0.000 0.530 624 V N 3.817 123.626 119.914 -0.175 0.000 2.287 624 V HA -0.173 3.952 4.120 0.009 0.000 0.248 624 V C 2.556 178.540 176.094 -0.184 0.000 1.053 624 V CA 2.309 64.450 62.300 -0.266 0.000 1.027 624 V CB -0.701 30.821 31.823 -0.501 0.000 0.646 624 V HN 0.689 nan 8.190 nan 0.000 0.447 625 G N -0.584 108.154 108.800 -0.103 0.000 2.513 625 G HA2 -0.288 3.677 3.960 0.009 0.000 0.219 625 G HA3 -0.288 3.677 3.960 0.009 0.000 0.219 625 G C 1.659 176.549 174.900 -0.017 0.000 1.160 625 G CA 1.243 46.322 45.100 -0.036 0.000 0.767 625 G HN 0.445 nan 8.290 nan 0.000 0.571 626 L N 0.304 121.518 121.223 -0.015 0.000 2.056 626 L HA -0.084 4.262 4.340 0.009 0.000 0.207 626 L C 3.170 180.077 176.870 0.062 0.000 1.078 626 L CA 1.817 56.683 54.840 0.042 0.000 0.749 626 L CB -0.481 41.608 42.059 0.049 0.000 0.901 626 L HN 0.261 nan 8.230 nan 0.000 0.433 627 T N -0.253 114.306 114.554 0.009 0.000 2.708 627 T HA -0.215 4.140 4.350 0.009 0.000 0.266 627 T C 1.962 176.649 174.700 -0.022 0.000 1.037 627 T CA 1.376 63.487 62.100 0.018 0.000 1.146 627 T CB -0.123 68.701 68.868 -0.073 0.000 0.865 627 T HN 0.198 nan 8.240 nan 0.000 0.435 628 M N 1.370 120.940 119.600 -0.049 0.000 2.108 628 M HA -0.122 4.364 4.480 0.009 0.000 0.261 628 M C 2.411 178.705 176.300 -0.011 0.000 1.066 628 M CA 1.545 56.828 55.300 -0.028 0.000 1.107 628 M CB -1.160 31.426 32.600 -0.025 0.000 1.356 628 M HN 0.379 nan 8.290 nan 0.000 0.406 629 Q N 0.203 120.000 119.800 -0.004 0.000 2.152 629 Q HA -0.136 4.210 4.340 0.009 0.000 0.206 629 Q C 2.001 177.965 176.000 -0.059 0.000 0.985 629 Q CA 1.134 56.947 55.803 0.017 0.000 0.863 629 Q CB -0.292 28.468 28.738 0.037 0.000 0.904 629 Q HN 0.539 nan 8.270 nan 0.000 0.422 630 L N 0.013 121.108 121.223 -0.212 0.000 2.552 630 L HA -0.039 4.306 4.340 0.009 0.000 0.227 630 L C 1.680 178.453 176.870 -0.161 0.000 1.146 630 L CA 0.279 54.815 54.840 -0.506 0.000 0.858 630 L CB 0.016 41.846 42.059 -0.382 0.000 0.969 630 L HN 0.216 nan 8.230 nan 0.000 0.451 631 L N -0.634 120.569 121.223 -0.033 0.000 2.616 631 L HA 0.069 4.415 4.340 0.009 0.000 0.229 631 L C 1.008 177.889 176.870 0.017 0.000 1.110 631 L CA -0.385 54.474 54.840 0.031 0.000 0.884 631 L CB -0.143 41.941 42.059 0.042 0.000 1.115 631 L HN 0.307 nan 8.230 nan 0.000 0.481 632 D N -0.278 120.066 120.400 -0.093 0.000 2.356 632 D HA -0.098 4.548 4.640 0.009 0.000 0.258 632 D C 1.508 177.371 176.300 -0.728 0.000 1.279 632 D CA 0.031 53.673 54.000 -0.598 0.000 1.016 632 D CB 0.329 40.889 40.800 -0.400 0.000 1.107 632 D HN 0.183 nan 8.370 nan 0.000 0.544 633 C N -1.394 117.211 119.300 -1.157 0.000 2.422 633 C HA 0.019 4.485 4.460 0.009 0.000 0.286 633 C C 1.748 176.508 174.990 -0.384 0.000 1.412 633 C CA 0.259 58.934 59.018 -0.572 0.000 1.786 633 C CB -1.967 25.546 27.740 -0.378 0.000 1.835 633 C HN 0.529 nan 8.230 nan 0.000 0.533 634 N N -0.296 118.136 118.700 -0.446 0.000 2.457 634 N HA 0.159 4.905 4.740 0.009 0.000 0.180 634 N C -0.445 174.403 175.510 -1.103 0.000 1.050 634 N CA 0.611 53.225 53.050 -0.727 0.000 0.906 634 N CB -0.043 37.935 38.487 -0.848 0.000 0.968 634 N HN 0.549 nan 8.380 nan 0.000 0.445 635 F N -0.704 119.123 119.950 -0.206 0.000 2.449 635 F HA 0.414 4.945 4.527 0.007 0.000 0.342 635 F C 0.753 176.347 175.800 -0.343 0.000 1.127 635 F CA -0.807 57.042 58.000 -0.252 0.000 0.975 635 F CB 2.013 40.922 39.000 -0.151 0.000 1.146 635 F HN -0.195 nan 8.300 nan 0.000 0.444 636 S N -0.300 115.104 115.700 -0.492 0.000 2.526 636 S HA -0.032 4.444 4.470 0.009 0.000 0.220 636 S C 0.080 174.411 174.600 -0.449 0.000 1.017 636 S CA -0.255 57.607 58.200 -0.564 0.000 0.930 636 S CB -0.015 62.579 63.200 -1.010 0.000 0.856 636 S HN 0.659 nan 8.310 nan 0.000 0.497 637 D N 2.607 122.748 120.400 -0.431 0.000 2.371 637 D HA -0.020 4.626 4.640 0.009 0.000 0.256 637 D C 1.143 177.378 176.300 -0.107 0.000 1.193 637 D CA 0.184 54.047 54.000 -0.227 0.000 0.881 637 D CB 0.895 41.450 40.800 -0.408 0.000 1.143 637 D HN 0.335 nan 8.370 nan 0.000 0.473 638 E N 4.068 124.255 120.200 -0.022 0.000 2.097 638 E HA -0.276 4.079 4.350 0.009 0.000 0.196 638 E C 0.889 177.438 176.600 -0.085 0.000 1.000 638 E CA 1.179 57.566 56.400 -0.022 0.000 0.804 638 E CB 0.134 29.844 29.700 0.016 0.000 0.740 638 E HN 0.499 nan 8.360 nan 0.000 0.454 639 N N 0.246 118.855 118.700 -0.151 0.000 2.244 639 N HA -0.114 4.631 4.740 0.009 0.000 0.183 639 N C 2.004 177.355 175.510 -0.264 0.000 1.016 639 N CA 1.156 54.050 53.050 -0.259 0.000 0.866 639 N CB -0.028 38.139 38.487 -0.533 0.000 0.980 639 N HN 0.105 nan 8.380 nan 0.000 0.430 640 V N 1.946 121.700 119.914 -0.268 0.000 2.307 640 V HA -0.166 3.960 4.120 0.009 0.000 0.245 640 V C 2.371 178.294 176.094 -0.286 0.000 1.045 640 V CA 1.460 63.523 62.300 -0.395 0.000 1.024 640 V CB -0.354 31.245 31.823 -0.373 0.000 0.651 640 V HN 0.249 nan 8.190 nan 0.000 0.449 641 R N 0.123 120.521 120.500 -0.171 0.000 2.096 641 R HA -0.093 4.252 4.340 0.009 0.000 0.235 641 R C 2.402 178.650 176.300 -0.086 0.000 1.127 641 R CA 1.375 57.411 56.100 -0.105 0.000 0.968 641 R CB -0.572 29.700 30.300 -0.047 0.000 0.861 641 R HN 0.532 nan 8.270 nan 0.000 0.440 642 A N 2.055 124.822 122.820 -0.088 0.000 1.933 642 A HA -0.143 4.183 4.320 0.009 0.000 0.218 642 A C 2.227 179.786 177.584 -0.042 0.000 1.175 642 A CA 1.436 53.440 52.037 -0.055 0.000 0.628 642 A CB -0.646 18.322 19.000 -0.053 0.000 0.814 642 A HN 0.474 nan 8.150 nan 0.000 0.444 643 I N -2.810 117.711 120.570 -0.082 0.000 2.394 643 I HA -0.067 4.108 4.170 0.009 0.000 0.251 643 I C 2.347 178.572 176.117 0.179 0.000 1.136 643 I CA 1.352 62.656 61.300 0.007 0.000 1.425 643 I CB -0.541 37.310 38.000 -0.249 0.000 1.079 643 I HN 0.177 nan 8.210 nan 0.000 0.425 644 A N 1.690 124.545 122.820 0.058 0.000 1.873 644 A HA -0.071 4.255 4.320 0.009 0.000 0.215 644 A C 2.409 179.993 177.584 -0.000 0.000 1.186 644 A CA 2.064 54.167 52.037 0.110 0.000 0.616 644 A CB -1.108 17.889 19.000 -0.005 0.000 0.823 644 A HN 0.335 nan 8.150 nan 0.000 0.442 645 V N 0.526 120.399 119.914 -0.068 0.000 2.407 645 V HA -0.318 3.807 4.120 0.009 0.000 0.248 645 V C 2.722 178.712 176.094 -0.174 0.000 1.055 645 V CA 2.215 64.401 62.300 -0.190 0.000 1.049 645 V CB -0.888 30.856 31.823 -0.130 0.000 0.662 645 V HN 0.793 nan 8.190 nan 0.000 0.455 646 Q N 0.167 119.945 119.800 -0.036 0.000 2.152 646 Q HA -0.324 4.022 4.340 0.009 0.000 0.206 646 Q C 2.211 178.185 176.000 -0.043 0.000 0.985 646 Q CA 2.038 57.842 55.803 0.001 0.000 0.863 646 Q CB -0.038 28.756 28.738 0.092 0.000 0.904 646 Q HN 0.439 nan 8.270 nan 0.000 0.422 647 K N 0.363 120.739 120.400 -0.041 0.000 2.155 647 K HA 0.014 4.339 4.320 0.009 0.000 0.203 647 K C 1.946 178.439 176.600 -0.177 0.000 1.052 647 K CA 0.736 56.942 56.287 -0.135 0.000 0.948 647 K CB -0.135 32.258 32.500 -0.179 0.000 0.728 647 K HN 0.263 nan 8.250 nan 0.000 0.448 648 L N 0.754 121.818 121.223 -0.264 0.000 2.201 648 L HA -0.137 4.208 4.340 0.009 0.000 0.212 648 L C 1.843 178.569 176.870 -0.240 0.000 1.105 648 L CA 0.821 55.438 54.840 -0.371 0.000 0.775 648 L CB -0.398 41.196 42.059 -0.776 0.000 0.913 648 L HN 0.169 nan 8.230 nan 0.000 0.440 649 E N 0.372 120.469 120.200 -0.172 0.000 2.187 649 E HA -0.226 4.129 4.350 0.009 0.000 0.199 649 E C 2.150 178.816 176.600 0.110 0.000 1.004 649 E CA 1.752 58.209 56.400 0.096 0.000 0.813 649 E CB -0.229 29.511 29.700 0.066 0.000 0.736 649 E HN 0.574 nan 8.360 nan 0.000 0.468 650 S N -0.147 115.567 115.700 0.023 0.000 2.631 650 S HA 0.102 4.578 4.470 0.009 0.000 0.217 650 S C 0.900 175.526 174.600 0.043 0.000 0.958 650 S CA -0.250 57.965 58.200 0.024 0.000 0.920 650 S CB -0.292 62.892 63.200 -0.027 0.000 0.776 650 S HN 0.029 nan 8.310 nan 0.000 0.517 651 L N 3.055 124.329 121.223 0.086 0.000 2.367 651 L HA 0.300 4.646 4.340 0.009 0.000 0.275 651 L C 0.842 177.789 176.870 0.129 0.000 1.129 651 L CA -0.569 54.335 54.840 0.107 0.000 0.839 651 L CB 0.619 42.774 42.059 0.160 0.000 1.133 651 L HN 0.461 nan 8.230 nan 0.000 0.453 652 E N 1.921 122.184 120.200 0.105 0.000 2.391 652 E HA 0.024 4.380 4.350 0.009 0.000 0.255 652 E C -0.304 176.378 176.600 0.136 0.000 1.187 652 E CA -0.809 55.654 56.400 0.105 0.000 0.941 652 E CB 0.884 30.634 29.700 0.084 0.000 1.010 652 E HN 0.483 nan 8.360 nan 0.000 0.458 653 D N 1.011 121.488 120.400 0.128 0.000 2.116 653 D HA -0.211 4.435 4.640 0.009 0.000 0.193 653 D C 1.374 177.778 176.300 0.174 0.000 0.998 653 D CA 1.805 55.884 54.000 0.131 0.000 0.836 653 D CB -0.397 40.469 40.800 0.109 0.000 0.951 653 D HN 0.639 nan 8.370 nan 0.000 0.449 654 D N 0.629 121.164 120.400 0.226 0.000 2.133 654 D HA -0.173 4.473 4.640 0.009 0.000 0.192 654 D C 1.471 177.969 176.300 0.329 0.000 1.001 654 D CA 1.331 55.531 54.000 0.333 0.000 0.844 654 D CB 0.018 41.015 40.800 0.330 0.000 0.944 654 D HN 0.020 nan 8.370 nan 0.000 0.447 655 D N -0.663 119.881 120.400 0.239 0.000 2.144 655 D HA -0.106 4.540 4.640 0.009 0.000 0.199 655 D C 2.264 178.764 176.300 0.332 0.000 0.984 655 D CA 0.491 54.642 54.000 0.250 0.000 0.834 655 D CB -0.213 40.701 40.800 0.191 0.000 0.955 655 D HN 0.161 nan 8.370 nan 0.000 0.465 656 V N 1.201 121.278 119.914 0.270 0.000 2.407 656 V HA -0.214 3.911 4.120 0.009 0.000 0.248 656 V C 2.643 178.868 176.094 0.218 0.000 1.055 656 V CA 0.996 63.462 62.300 0.276 0.000 1.049 656 V CB -0.377 31.567 31.823 0.203 0.000 0.662 656 V HN 0.208 nan 8.190 nan 0.000 0.455 657 L N -0.973 120.338 121.223 0.147 0.000 2.042 657 L HA -0.241 4.104 4.340 0.009 0.000 0.210 657 L C 2.517 179.381 176.870 -0.010 0.000 1.076 657 L CA 1.889 56.742 54.840 0.021 0.000 0.749 657 L CB -0.773 41.244 42.059 -0.070 0.000 0.893 657 L HN 0.382 nan 8.230 nan 0.000 0.432 658 H N -1.583 117.439 119.070 -0.079 0.000 2.390 658 H HA -0.207 4.354 4.556 0.009 0.000 0.298 658 H C 1.410 176.455 175.328 -0.471 0.000 1.106 658 H CA 2.248 58.111 56.048 -0.308 0.000 1.297 658 H CB -0.040 29.446 29.762 -0.460 0.000 1.375 658 H HN 0.351 nan 8.280 nan 0.000 0.509 659 Y N -1.655 118.739 120.300 0.156 0.000 2.444 659 Y HA 0.067 4.622 4.550 0.010 0.000 0.249 659 Y C 1.810 177.771 175.900 0.102 0.000 1.134 659 Y CA -0.334 57.825 58.100 0.098 0.000 1.261 659 Y CB 0.229 38.746 38.460 0.096 0.000 1.143 659 Y HN 0.078 nan 8.280 nan 0.000 0.523 660 L N 0.565 121.928 121.223 0.232 0.000 2.034 660 L HA -0.272 4.073 4.340 0.009 0.000 0.217 660 L C 2.217 179.244 176.870 0.262 0.000 1.077 660 L CA 1.763 56.754 54.840 0.253 0.000 0.769 660 L CB -0.898 41.300 42.059 0.231 0.000 0.890 660 L HN 0.350 nan 8.230 nan 0.000 0.435 661 L N -0.833 120.479 121.223 0.149 0.000 2.017 661 L HA -0.241 4.105 4.340 0.009 0.000 0.208 661 L C 2.420 179.178 176.870 -0.187 0.000 1.073 661 L CA 1.882 56.512 54.840 -0.349 0.000 0.745 661 L CB -0.754 40.809 42.059 -0.827 0.000 0.894 661 L HN 0.404 nan 8.230 nan 0.000 0.432 662 Q N -0.617 119.151 119.800 -0.054 0.000 2.083 662 Q HA -0.085 4.260 4.340 0.009 0.000 0.198 662 Q C 2.258 178.301 176.000 0.072 0.000 0.969 662 Q CA 1.821 57.628 55.803 0.007 0.000 0.838 662 Q CB -0.404 28.381 28.738 0.079 0.000 0.900 662 Q HN 0.497 nan 8.270 nan 0.000 0.436 663 L N -0.321 120.983 121.223 0.135 0.000 2.043 663 L HA -0.227 4.119 4.340 0.009 0.000 0.212 663 L C 2.172 179.125 176.870 0.138 0.000 1.075 663 L CA 0.953 55.889 54.840 0.160 0.000 0.752 663 L CB -0.601 41.595 42.059 0.229 0.000 0.891 663 L HN 0.145 nan 8.230 nan 0.000 0.432 664 V N -0.802 119.183 119.914 0.118 0.000 2.295 664 V HA -0.288 3.838 4.120 0.009 0.000 0.246 664 V C 2.575 178.703 176.094 0.056 0.000 1.049 664 V CA 1.572 63.937 62.300 0.109 0.000 1.024 664 V CB -0.564 31.302 31.823 0.072 0.000 0.648 664 V HN 0.482 nan 8.190 nan 0.000 0.447 665 Q N -0.025 119.741 119.800 -0.056 0.000 2.096 665 Q HA -0.174 4.172 4.340 0.009 0.000 0.204 665 Q C 2.484 178.414 176.000 -0.117 0.000 0.982 665 Q CA 1.876 57.602 55.803 -0.128 0.000 0.850 665 Q CB -0.809 27.828 28.738 -0.168 0.000 0.901 665 Q HN 0.651 nan 8.270 nan 0.000 0.422 666 A N 0.634 123.463 122.820 0.014 0.000 2.093 666 A HA -0.170 4.155 4.320 0.009 0.000 0.222 666 A C 2.369 179.964 177.584 0.019 0.000 1.162 666 A CA 1.514 53.626 52.037 0.125 0.000 0.655 666 A CB -0.728 18.402 19.000 0.218 0.000 0.805 666 A HN 0.230 nan 8.150 nan 0.000 0.461 667 V N -0.178 119.733 119.914 -0.006 0.000 2.688 667 V HA -0.270 3.856 4.120 0.009 0.000 0.256 667 V C 2.246 178.170 176.094 -0.284 0.000 1.084 667 V CA 2.240 64.502 62.300 -0.063 0.000 1.103 667 V CB -0.642 31.186 31.823 0.008 0.000 0.688 667 V HN 0.595 nan 8.190 nan 0.000 0.480 668 K N -0.583 119.490 120.400 -0.545 0.000 2.362 668 K HA -0.068 4.258 4.320 0.009 0.000 0.200 668 K C 1.621 177.900 176.600 -0.536 0.000 1.046 668 K CA 1.255 56.959 56.287 -0.971 0.000 0.952 668 K CB -0.195 31.496 32.500 -1.349 0.000 0.753 668 K HN 0.503 nan 8.250 nan 0.000 0.466 669 F N 1.287 121.152 119.950 -0.143 0.000 2.765 669 F HA 0.063 4.597 4.527 0.011 0.000 0.302 669 F C 0.697 176.449 175.800 -0.081 0.000 1.111 669 F CA -0.245 57.701 58.000 -0.089 0.000 1.359 669 F CB 0.354 39.316 39.000 -0.064 0.000 1.097 669 F HN -0.176 nan 8.300 nan 0.000 0.577 670 E N 2.798 123.028 120.200 0.051 0.000 2.259 670 E HA 0.059 4.415 4.350 0.009 0.000 0.281 670 E C -1.474 175.102 176.600 -0.041 0.000 1.037 670 E CA -1.618 54.797 56.400 0.024 0.000 0.854 670 E CB 0.887 30.607 29.700 0.035 0.000 1.051 670 E HN 0.051 nan 8.360 nan 0.000 0.409 671 P HA -0.152 nan 4.420 nan 0.000 0.218 671 P C -0.159 176.820 177.300 -0.536 0.000 1.149 671 P CA 1.373 64.269 63.100 -0.340 0.000 0.817 671 P CB 0.230 31.674 31.700 -0.426 0.000 0.785 672 Y N -2.292 117.941 120.300 -0.111 0.000 2.549 672 Y HA 0.294 4.850 4.550 0.009 0.000 0.339 672 Y C 2.286 178.116 175.900 -0.116 0.000 1.053 672 Y CA -0.873 57.127 58.100 -0.168 0.000 1.105 672 Y CB 0.649 39.059 38.460 -0.084 0.000 1.258 672 Y HN -0.194 nan 8.280 nan 0.000 0.478 673 H N -0.520 118.649 119.070 0.165 0.000 2.253 673 H HA -0.138 4.424 4.556 0.009 0.000 0.296 673 H C 0.238 175.610 175.328 0.073 0.000 1.074 673 H CA 1.510 57.595 56.048 0.063 0.000 1.263 673 H CB -0.236 29.549 29.762 0.039 0.000 1.363 673 H HN 0.560 nan 8.280 nan 0.000 0.489 674 D N 1.554 122.091 120.400 0.228 0.000 2.371 674 D HA 0.103 4.749 4.640 0.009 0.000 0.256 674 D C -0.274 176.108 176.300 0.135 0.000 1.193 674 D CA 0.199 54.286 54.000 0.144 0.000 0.881 674 D CB 0.456 41.330 40.800 0.123 0.000 1.143 674 D HN 0.364 nan 8.370 nan 0.000 0.473 675 S N 1.557 117.321 115.700 0.107 0.000 2.596 675 S HA 0.608 5.084 4.470 0.009 0.000 0.270 675 S C 0.786 175.441 174.600 0.091 0.000 1.155 675 S CA -0.351 57.908 58.200 0.099 0.000 0.827 675 S CB 1.247 64.508 63.200 0.101 0.000 1.130 675 S HN 0.316 nan 8.310 nan 0.000 0.467 676 A N 0.660 123.527 122.820 0.079 0.000 1.908 676 A HA -0.031 4.294 4.320 0.009 0.000 0.218 676 A C 1.984 179.643 177.584 0.124 0.000 1.181 676 A CA 1.903 53.990 52.037 0.084 0.000 0.627 676 A CB -0.972 18.056 19.000 0.048 0.000 0.818 676 A HN 1.015 nan 8.150 nan 0.000 0.445 677 L N -0.179 121.111 121.223 0.112 0.000 1.994 677 L HA -0.073 4.273 4.340 0.009 0.000 0.208 677 L C 2.719 179.714 176.870 0.207 0.000 1.071 677 L CA 2.404 57.337 54.840 0.156 0.000 0.745 677 L CB -1.015 41.115 42.059 0.119 0.000 0.892 677 L HN 0.342 nan 8.230 nan 0.000 0.431 678 A N -0.491 122.416 122.820 0.144 0.000 1.940 678 A HA -0.241 4.084 4.320 0.009 0.000 0.219 678 A C 2.399 180.060 177.584 0.127 0.000 1.176 678 A CA 1.968 54.080 52.037 0.125 0.000 0.631 678 A CB -0.596 18.457 19.000 0.090 0.000 0.814 678 A HN 0.561 nan 8.150 nan 0.000 0.446 679 R N -2.257 118.325 120.500 0.136 0.000 2.115 679 R HA -0.017 4.329 4.340 0.009 0.000 0.226 679 R C 1.958 178.354 176.300 0.159 0.000 1.100 679 R CA 1.204 57.378 56.100 0.123 0.000 0.980 679 R CB -0.406 29.959 30.300 0.109 0.000 0.875 679 R HN 0.612 nan 8.270 nan 0.000 0.445 680 F N 1.897 121.880 119.950 0.054 0.000 2.075 680 F HA -0.153 4.380 4.527 0.010 0.000 0.297 680 F C 1.860 177.697 175.800 0.062 0.000 1.113 680 F CA 1.343 59.376 58.000 0.056 0.000 1.218 680 F CB -0.397 38.635 39.000 0.054 0.000 0.984 680 F HN -0.144 nan 8.300 nan 0.000 0.472 681 L N -0.024 121.206 121.223 0.013 0.000 1.956 681 L HA -0.305 4.041 4.340 0.009 0.000 0.216 681 L C 2.675 179.472 176.870 -0.122 0.000 1.073 681 L CA 1.777 56.558 54.840 -0.098 0.000 0.762 681 L CB -1.162 40.940 42.059 0.072 0.000 0.889 681 L HN 0.270 nan 8.230 nan 0.000 0.433 682 L N -0.270 120.946 121.223 -0.012 0.000 2.034 682 L HA -0.350 3.996 4.340 0.009 0.000 0.217 682 L C 2.806 179.690 176.870 0.023 0.000 1.077 682 L CA 1.806 56.672 54.840 0.045 0.000 0.769 682 L CB -0.260 41.844 42.059 0.076 0.000 0.890 682 L HN 0.324 nan 8.230 nan 0.000 0.435 683 K N -0.886 119.490 120.400 -0.040 0.000 1.965 683 K HA -0.203 4.122 4.320 0.009 0.000 0.218 683 K C 2.024 178.560 176.600 -0.107 0.000 1.048 683 K CA 1.412 57.664 56.287 -0.058 0.000 0.960 683 K CB -0.223 32.239 32.500 -0.063 0.000 0.732 683 K HN 0.177 nan 8.250 nan 0.000 0.444 684 R N 0.265 120.586 120.500 -0.298 0.000 2.154 684 R HA -0.142 4.204 4.340 0.009 0.000 0.248 684 R C 2.234 178.472 176.300 -0.103 0.000 1.155 684 R CA 1.515 57.451 56.100 -0.273 0.000 0.979 684 R CB -1.416 28.563 30.300 -0.534 0.000 0.869 684 R HN 0.502 nan 8.270 nan 0.000 0.452 685 G N 0.893 109.645 108.800 -0.081 0.000 2.484 685 G HA2 -0.200 3.766 3.960 0.009 0.000 0.215 685 G HA3 -0.200 3.766 3.960 0.009 0.000 0.215 685 G C 1.579 176.622 174.900 0.239 0.000 1.219 685 G CA 0.479 45.574 45.100 -0.007 0.000 0.791 685 G HN 0.261 nan 8.290 nan 0.000 0.550 686 L N 0.154 121.552 121.223 0.292 0.000 2.187 686 L HA -0.057 4.288 4.340 0.009 0.000 0.213 686 L C 2.856 179.784 176.870 0.096 0.000 1.100 686 L CA 1.165 56.144 54.840 0.232 0.000 0.765 686 L CB -0.303 41.804 42.059 0.081 0.000 0.904 686 L HN 0.211 nan 8.230 nan 0.000 0.437 687 R N 0.026 120.579 120.500 0.088 0.000 2.193 687 R HA -0.031 4.315 4.340 0.009 0.000 0.213 687 R C 0.557 176.993 176.300 0.226 0.000 1.055 687 R CA 0.485 56.631 56.100 0.078 0.000 0.995 687 R CB 0.280 30.602 30.300 0.037 0.000 0.893 687 R HN 0.266 nan 8.270 nan 0.000 0.459 688 N N 0.166 119.019 118.700 0.255 0.000 2.310 688 N HA 0.089 4.834 4.740 0.009 0.000 0.292 688 N C -0.481 175.164 175.510 0.226 0.000 1.049 688 N CA -0.322 52.871 53.050 0.238 0.000 0.849 688 N CB 1.956 40.518 38.487 0.124 0.000 1.532 688 N HN -0.100 nan 8.380 nan 0.000 0.479 689 K N 1.800 122.257 120.400 0.096 0.000 2.001 689 K HA -0.073 4.253 4.320 0.009 0.000 0.208 689 K C 1.756 178.322 176.600 -0.056 0.000 1.048 689 K CA 0.950 57.204 56.287 -0.054 0.000 0.932 689 K CB 0.110 32.355 32.500 -0.425 0.000 0.715 689 K HN 0.496 nan 8.250 nan 0.000 0.437 690 R N 0.986 121.408 120.500 -0.129 0.000 2.097 690 R HA -0.205 4.141 4.340 0.009 0.000 0.236 690 R C 2.210 178.562 176.300 0.087 0.000 1.135 690 R CA 1.859 57.905 56.100 -0.089 0.000 0.934 690 R CB -0.374 29.812 30.300 -0.190 0.000 0.846 690 R HN 0.032 nan 8.270 nan 0.000 0.431 691 I N 0.424 121.024 120.570 0.050 0.000 2.248 691 I HA -0.184 3.991 4.170 0.009 0.000 0.248 691 I C 2.429 178.551 176.117 0.009 0.000 1.107 691 I CA 1.898 63.227 61.300 0.048 0.000 1.373 691 I CB -0.956 37.049 38.000 0.009 0.000 1.055 691 I HN 0.410 nan 8.210 nan 0.000 0.418 692 G N -1.149 107.677 108.800 0.044 0.000 2.408 692 G HA2 -0.323 3.643 3.960 0.009 0.000 0.217 692 G HA3 -0.323 3.643 3.960 0.009 0.000 0.217 692 G C 1.640 176.511 174.900 -0.048 0.000 1.150 692 G CA 1.164 46.196 45.100 -0.115 0.000 0.776 692 G HN 0.496 nan 8.290 nan 0.000 0.542 693 H N -0.089 119.030 119.070 0.082 0.000 2.319 693 H HA -0.043 4.519 4.556 0.009 0.000 0.299 693 H C 2.109 177.429 175.328 -0.012 0.000 1.092 693 H CA 1.793 57.915 56.048 0.124 0.000 1.302 693 H CB -0.349 29.339 29.762 -0.123 0.000 1.373 693 H HN 0.360 nan 8.280 nan 0.000 0.497 694 F N -0.629 119.208 119.950 -0.190 0.000 2.259 694 F HA -0.070 4.463 4.527 0.010 0.000 0.298 694 F C 2.319 177.686 175.800 -0.722 0.000 1.088 694 F CA 0.608 58.267 58.000 -0.567 0.000 1.358 694 F CB -0.255 38.330 39.000 -0.691 0.000 1.040 694 F HN 0.243 nan 8.300 nan 0.000 0.505 695 L N -0.221 120.831 121.223 -0.284 0.000 2.042 695 L HA -0.235 4.110 4.340 0.009 0.000 0.210 695 L C 2.145 178.839 176.870 -0.293 0.000 1.076 695 L CA 1.680 56.362 54.840 -0.262 0.000 0.749 695 L CB -1.200 40.643 42.059 -0.360 0.000 0.893 695 L HN 0.189 nan 8.230 nan 0.000 0.432 696 F N -0.834 118.782 119.950 -0.555 0.000 2.046 696 F HA -0.257 4.275 4.527 0.009 0.000 0.297 696 F C 1.902 177.355 175.800 -0.579 0.000 1.123 696 F CA 2.105 59.690 58.000 -0.691 0.000 1.199 696 F CB -0.646 37.669 39.000 -1.142 0.000 0.972 696 F HN 0.130 nan 8.300 nan 0.000 0.474 697 W N -0.392 120.773 121.300 -0.225 0.000 2.388 697 W HA -0.092 4.574 4.660 0.009 0.000 0.294 697 W C 2.484 178.976 176.519 -0.046 0.000 1.212 697 W CA 1.080 58.321 57.345 -0.174 0.000 1.271 697 W CB -0.802 28.575 29.460 -0.138 0.000 1.126 697 W HN 0.022 nan 8.180 nan 0.000 0.535 698 F N -0.071 119.905 119.950 0.044 0.000 2.134 698 F HA -0.248 4.284 4.527 0.009 0.000 0.299 698 F C 2.166 177.815 175.800 -0.252 0.000 1.097 698 F CA 0.651 58.606 58.000 -0.074 0.000 1.264 698 F CB -0.730 38.229 39.000 -0.068 0.000 1.001 698 F HN -0.181 nan 8.300 nan 0.000 0.479 699 L N -0.186 120.964 121.223 -0.121 0.000 2.005 699 L HA -0.210 4.136 4.340 0.009 0.000 0.207 699 L C 2.576 179.256 176.870 -0.316 0.000 1.072 699 L CA 1.201 55.864 54.840 -0.295 0.000 0.744 699 L CB -0.670 41.259 42.059 -0.218 0.000 0.895 699 L HN 0.038 nan 8.230 nan 0.000 0.433 700 R N -0.145 120.111 120.500 -0.407 0.000 2.096 700 R HA -0.238 4.108 4.340 0.009 0.000 0.240 700 R C 2.623 178.831 176.300 -0.154 0.000 1.139 700 R CA 1.909 57.777 56.100 -0.385 0.000 0.952 700 R CB -0.379 29.537 30.300 -0.641 0.000 0.854 700 R HN 0.273 nan 8.270 nan 0.000 0.436 701 S N 0.115 115.784 115.700 -0.051 0.000 2.378 701 S HA -0.226 4.249 4.470 0.009 0.000 0.229 701 S C 1.713 176.262 174.600 -0.085 0.000 1.052 701 S CA 1.866 60.063 58.200 -0.005 0.000 1.084 701 S CB -0.236 62.979 63.200 0.025 0.000 0.950 701 S HN 0.407 nan 8.310 nan 0.000 0.440 702 E N 0.765 120.841 120.200 -0.206 0.000 2.072 702 E HA 0.022 4.378 4.350 0.009 0.000 0.190 702 E C 2.189 178.736 176.600 -0.089 0.000 0.982 702 E CA 0.980 57.249 56.400 -0.219 0.000 0.803 702 E CB -0.527 28.840 29.700 -0.556 0.000 0.755 702 E HN 0.657 nan 8.360 nan 0.000 0.453 703 I N 1.207 121.715 120.570 -0.103 0.000 2.335 703 I HA -0.244 3.932 4.170 0.009 0.000 0.251 703 I C 2.257 178.355 176.117 -0.032 0.000 1.129 703 I CA 1.130 62.397 61.300 -0.055 0.000 1.402 703 I CB -0.275 37.672 38.000 -0.088 0.000 1.069 703 I HN -0.021 nan 8.210 nan 0.000 0.424 704 A N 0.320 123.129 122.820 -0.019 0.000 2.123 704 A HA -0.102 4.224 4.320 0.009 0.000 0.214 704 A C 2.000 179.612 177.584 0.046 0.000 1.152 704 A CA 0.969 53.022 52.037 0.027 0.000 0.728 704 A CB -0.170 18.855 19.000 0.041 0.000 0.814 704 A HN 0.655 nan 8.150 nan 0.000 0.464 705 Q N -2.343 117.477 119.800 0.034 0.000 2.089 705 Q HA 0.295 4.641 4.340 0.009 0.000 0.227 705 Q C 0.129 176.169 176.000 0.065 0.000 0.774 705 Q CA 0.229 56.064 55.803 0.053 0.000 0.960 705 Q CB 0.076 28.841 28.738 0.046 0.000 1.179 705 Q HN 0.227 nan 8.270 nan 0.000 0.460 706 S N 0.931 116.670 115.700 0.065 0.000 2.410 706 S HA 0.317 4.792 4.470 0.009 0.000 0.304 706 S C 0.766 175.440 174.600 0.123 0.000 1.095 706 S CA -0.589 57.682 58.200 0.118 0.000 1.089 706 S CB 0.692 63.988 63.200 0.160 0.000 0.968 706 S HN 0.267 nan 8.310 nan 0.000 0.480 707 R N 2.966 123.560 120.500 0.157 0.000 2.073 707 R HA -0.043 4.302 4.340 0.009 0.000 0.229 707 R C 1.178 177.474 176.300 -0.007 0.000 1.120 707 R CA 1.347 57.517 56.100 0.117 0.000 0.967 707 R CB -0.704 29.723 30.300 0.211 0.000 0.862 707 R HN 0.758 nan 8.270 nan 0.000 0.436 708 H N -1.277 117.551 119.070 -0.402 0.000 2.518 708 H HA -0.091 4.471 4.556 0.009 0.000 0.289 708 H C 0.523 175.421 175.328 -0.717 0.000 1.051 708 H CA 1.118 56.720 56.048 -0.743 0.000 1.280 708 H CB -0.129 29.058 29.762 -0.958 0.000 1.380 708 H HN 0.308 nan 8.280 nan 0.000 0.566 709 Y N -0.399 119.927 120.300 0.043 0.000 2.666 709 Y HA 0.043 4.598 4.550 0.009 0.000 0.260 709 Y C 1.834 177.742 175.900 0.013 0.000 1.089 709 Y CA -0.395 57.703 58.100 -0.003 0.000 1.246 709 Y CB 0.501 39.010 38.460 0.081 0.000 1.353 709 Y HN 0.186 nan 8.280 nan 0.000 0.558 710 Q N 0.459 120.295 119.800 0.059 0.000 2.096 710 Q HA -0.244 4.101 4.340 0.009 0.000 0.204 710 Q C 1.266 177.081 176.000 -0.309 0.000 0.982 710 Q CA 1.890 57.630 55.803 -0.104 0.000 0.850 710 Q CB -0.382 28.194 28.738 -0.269 0.000 0.901 710 Q HN 0.555 nan 8.270 nan 0.000 0.422 711 Q N 0.897 120.473 119.800 -0.372 0.000 1.956 711 Q HA -0.220 4.126 4.340 0.009 0.000 0.208 711 Q C 2.343 178.162 176.000 -0.301 0.000 0.998 711 Q CA 1.997 57.581 55.803 -0.366 0.000 0.855 711 Q CB -0.320 28.267 28.738 -0.252 0.000 0.928 711 Q HN 0.403 nan 8.270 nan 0.000 0.418 712 R N 0.173 120.453 120.500 -0.366 0.000 2.094 712 R HA -0.182 4.163 4.340 0.009 0.000 0.239 712 R C 2.191 178.329 176.300 -0.270 0.000 1.137 712 R CA 1.731 57.583 56.100 -0.414 0.000 0.943 712 R CB -0.385 29.701 30.300 -0.356 0.000 0.850 712 R HN 0.223 nan 8.270 nan 0.000 0.433 713 F N 0.545 120.446 119.950 -0.081 0.000 2.161 713 F HA -0.209 4.324 4.527 0.009 0.000 0.300 713 F C 2.642 178.375 175.800 -0.111 0.000 1.089 713 F CA 0.986 58.934 58.000 -0.086 0.000 1.282 713 F CB -0.286 38.661 39.000 -0.089 0.000 1.010 713 F HN 0.254 nan 8.300 nan 0.000 0.485 714 A N -0.134 122.695 122.820 0.016 0.000 1.877 714 A HA -0.152 4.173 4.320 0.009 0.000 0.216 714 A C 2.269 179.857 177.584 0.006 0.000 1.186 714 A CA 1.839 53.871 52.037 -0.009 0.000 0.620 714 A CB -1.213 17.776 19.000 -0.019 0.000 0.822 714 A HN 0.165 nan 8.150 nan 0.000 0.443 715 V N 0.296 120.198 119.914 -0.019 0.000 2.490 715 V HA -0.266 3.859 4.120 0.009 0.000 0.250 715 V C 2.356 178.457 176.094 0.012 0.000 1.061 715 V CA 1.956 64.251 62.300 -0.009 0.000 1.064 715 V CB -0.686 31.110 31.823 -0.045 0.000 0.670 715 V HN 0.565 nan 8.190 nan 0.000 0.461 716 I N -0.942 119.640 120.570 0.021 0.000 2.286 716 I HA -0.202 3.974 4.170 0.009 0.000 0.245 716 I C 2.373 178.533 176.117 0.072 0.000 1.104 716 I CA 1.255 62.587 61.300 0.054 0.000 1.397 716 I CB -0.286 37.761 38.000 0.077 0.000 1.072 716 I HN 0.265 nan 8.210 nan 0.000 0.417 717 L N 1.029 122.278 121.223 0.043 0.000 2.017 717 L HA -0.256 4.090 4.340 0.009 0.000 0.208 717 L C 2.587 179.497 176.870 0.067 0.000 1.073 717 L CA 1.928 56.781 54.840 0.021 0.000 0.745 717 L CB -0.398 41.593 42.059 -0.113 0.000 0.894 717 L HN 0.375 nan 8.230 nan 0.000 0.432 718 E N -0.016 120.200 120.200 0.027 0.000 2.021 718 E HA -0.303 4.052 4.350 0.009 0.000 0.200 718 E C 2.080 178.707 176.600 0.044 0.000 1.015 718 E CA 1.649 58.058 56.400 0.015 0.000 0.824 718 E CB -0.178 29.525 29.700 0.004 0.000 0.762 718 E HN 0.538 nan 8.360 nan 0.000 0.454 719 A N 0.469 123.323 122.820 0.057 0.000 1.929 719 A HA -0.291 4.034 4.320 0.009 0.000 0.221 719 A C 2.156 179.795 177.584 0.091 0.000 1.211 719 A CA 2.160 54.237 52.037 0.067 0.000 0.657 719 A CB -1.363 17.679 19.000 0.070 0.000 0.827 719 A HN 0.690 nan 8.150 nan 0.000 0.462 720 Y N 0.326 120.636 120.300 0.017 0.000 2.089 720 Y HA -0.169 4.387 4.550 0.009 0.000 0.282 720 Y C 2.066 178.003 175.900 0.061 0.000 1.139 720 Y CA 1.858 59.977 58.100 0.032 0.000 1.123 720 Y CB -0.689 37.782 38.460 0.019 0.000 0.980 720 Y HN 0.218 nan 8.280 nan 0.000 0.493 721 L N 0.242 121.407 121.223 -0.097 0.000 2.089 721 L HA -0.308 4.038 4.340 0.009 0.000 0.213 721 L C 2.193 179.010 176.870 -0.088 0.000 1.079 721 L CA 1.743 56.500 54.840 -0.138 0.000 0.758 721 L CB -0.553 41.497 42.059 -0.014 0.000 0.891 721 L HN 0.188 nan 8.230 nan 0.000 0.433 722 R N -0.245 120.243 120.500 -0.020 0.000 2.346 722 R HA -0.008 4.338 4.340 0.009 0.000 0.208 722 R C 1.192 177.496 176.300 0.006 0.000 1.052 722 R CA 0.539 56.684 56.100 0.075 0.000 1.116 722 R CB -0.136 30.221 30.300 0.096 0.000 1.003 722 R HN 0.431 nan 8.270 nan 0.000 0.482 723 G N -1.373 107.364 108.800 -0.105 0.000 3.934 723 G HA2 -0.103 3.863 3.960 0.009 0.000 0.212 723 G HA3 -0.103 3.863 3.960 0.009 0.000 0.212 723 G C 0.956 175.757 174.900 -0.165 0.000 1.126 723 G CA -0.099 44.933 45.100 -0.114 0.000 0.877 723 G HN 0.414 nan 8.290 nan 0.000 0.556 724 C N -0.165 118.975 119.300 -0.266 0.000 2.464 724 C HA 0.583 5.048 4.460 0.009 0.000 0.278 724 C C 1.465 176.509 174.990 0.091 0.000 1.375 724 C CA 0.198 59.130 59.018 -0.144 0.000 1.761 724 C CB -0.897 26.639 27.740 -0.341 0.000 1.944 724 C HN 1.570 nan 8.230 nan 0.000 0.509 725 G N 0.180 109.001 108.800 0.034 0.000 2.697 725 G HA2 0.193 4.159 3.960 0.009 0.000 0.684 725 G HA3 0.193 4.159 3.960 0.009 0.000 0.684 725 G C 0.253 175.186 174.900 0.056 0.000 1.274 725 G CA 0.249 45.392 45.100 0.072 0.000 0.806 725 G HN 0.870 nan 8.290 nan 0.000 0.644 726 T N -0.710 113.876 114.554 0.054 0.000 2.721 726 T HA -0.041 4.314 4.350 0.009 0.000 0.268 726 T C 2.655 177.388 174.700 0.056 0.000 1.038 726 T CA 2.810 64.948 62.100 0.062 0.000 1.145 726 T CB -0.422 68.465 68.868 0.032 0.000 0.858 726 T HN 2.097 nan 8.240 nan 0.000 0.459 727 A N 2.600 125.436 122.820 0.027 0.000 1.841 727 A HA -0.036 4.290 4.320 0.009 0.000 0.216 727 A C 2.625 180.183 177.584 -0.045 0.000 1.199 727 A CA 2.179 54.224 52.037 0.013 0.000 0.621 727 A CB -0.842 18.144 19.000 -0.023 0.000 0.835 727 A HN 0.467 nan 8.150 nan 0.000 0.445 728 M N -0.583 118.939 119.600 -0.131 0.000 2.073 728 M HA -0.159 4.327 4.480 0.009 0.000 0.258 728 M C 2.276 178.372 176.300 -0.341 0.000 1.070 728 M CA 1.474 56.555 55.300 -0.365 0.000 1.103 728 M CB -1.330 31.152 32.600 -0.197 0.000 1.321 728 M HN 0.409 nan 8.290 nan 0.000 0.405 729 L N -0.792 120.420 121.223 -0.019 0.000 2.189 729 L HA -0.270 4.075 4.340 0.009 0.000 0.214 729 L C 2.584 179.499 176.870 0.076 0.000 1.097 729 L CA 1.444 56.348 54.840 0.106 0.000 0.764 729 L CB -0.819 41.322 42.059 0.136 0.000 0.900 729 L HN 0.429 nan 8.230 nan 0.000 0.436 730 H N -0.618 118.415 119.070 -0.063 0.000 2.355 730 H HA -0.097 4.464 4.556 0.009 0.000 0.303 730 H C 1.851 177.124 175.328 -0.091 0.000 1.061 730 H CA 1.366 57.384 56.048 -0.050 0.000 1.368 730 H CB 0.050 29.783 29.762 -0.048 0.000 1.412 730 H HN 0.116 nan 8.280 nan 0.000 0.523 731 D N 0.185 120.321 120.400 -0.440 0.000 2.097 731 D HA -0.165 4.481 4.640 0.009 0.000 0.195 731 D C 2.141 178.222 176.300 -0.364 0.000 0.989 731 D CA 1.274 54.966 54.000 -0.515 0.000 0.827 731 D CB -0.587 39.898 40.800 -0.526 0.000 0.966 731 D HN 0.411 nan 8.370 nan 0.000 0.456 732 F N 1.110 120.893 119.950 -0.279 0.000 2.126 732 F HA -0.214 4.318 4.527 0.009 0.000 0.299 732 F C 2.659 178.333 175.800 -0.210 0.000 1.096 732 F CA 1.117 58.874 58.000 -0.406 0.000 1.255 732 F CB -0.526 38.023 39.000 -0.752 0.000 0.997 732 F HN -0.064 nan 8.300 nan 0.000 0.479 733 T N -0.488 114.079 114.554 0.021 0.000 2.665 733 T HA -0.239 4.116 4.350 0.009 0.000 0.268 733 T C 1.920 176.631 174.700 0.019 0.000 1.035 733 T CA 1.362 63.482 62.100 0.033 0.000 1.151 733 T CB -0.331 68.561 68.868 0.040 0.000 0.862 733 T HN 0.230 nan 8.240 nan 0.000 0.438 734 Q N 1.104 120.870 119.800 -0.056 0.000 2.020 734 Q HA -0.127 4.218 4.340 0.009 0.000 0.202 734 Q C 2.529 178.553 176.000 0.041 0.000 0.982 734 Q CA 1.564 57.345 55.803 -0.036 0.000 0.838 734 Q CB -0.443 28.221 28.738 -0.125 0.000 0.899 734 Q HN 0.674 nan 8.270 nan 0.000 0.423 735 Q N -0.131 119.739 119.800 0.117 0.000 2.124 735 Q HA -0.105 4.241 4.340 0.009 0.000 0.202 735 Q C 2.260 178.432 176.000 0.287 0.000 0.977 735 Q CA 1.364 57.326 55.803 0.266 0.000 0.850 735 Q CB -0.065 28.978 28.738 0.509 0.000 0.901 735 Q HN 0.139 nan 8.270 nan 0.000 0.429 736 V N 1.140 121.203 119.914 0.248 0.000 2.427 736 V HA -0.258 3.867 4.120 0.009 0.000 0.248 736 V C 2.122 178.300 176.094 0.140 0.000 1.051 736 V CA 1.755 64.197 62.300 0.236 0.000 1.048 736 V CB -0.486 31.435 31.823 0.164 0.000 0.666 736 V HN 0.384 nan 8.190 nan 0.000 0.456 737 Q N -0.563 119.281 119.800 0.074 0.000 2.050 737 Q HA -0.163 4.182 4.340 0.009 0.000 0.202 737 Q C 2.371 178.365 176.000 -0.009 0.000 0.980 737 Q CA 1.808 57.630 55.803 0.031 0.000 0.840 737 Q CB -0.440 28.308 28.738 0.016 0.000 0.898 737 Q HN 0.515 nan 8.270 nan 0.000 0.424 738 V N 2.240 122.110 119.914 -0.073 0.000 2.219 738 V HA -0.300 3.825 4.120 0.009 0.000 0.248 738 V C 2.391 178.401 176.094 -0.140 0.000 1.053 738 V CA 2.304 64.477 62.300 -0.211 0.000 1.009 738 V CB -0.816 30.653 31.823 -0.590 0.000 0.636 738 V HN 0.522 nan 8.190 nan 0.000 0.445 739 I N -1.316 119.250 120.570 -0.007 0.000 2.567 739 I HA -0.192 3.983 4.170 0.009 0.000 0.257 739 I C 2.217 178.407 176.117 0.122 0.000 1.184 739 I CA 1.998 63.407 61.300 0.182 0.000 1.451 739 I CB -0.523 37.702 38.000 0.375 0.000 1.089 739 I HN 0.318 nan 8.210 nan 0.000 0.441 740 E N 0.846 121.101 120.200 0.091 0.000 2.274 740 E HA -0.091 4.265 4.350 0.009 0.000 0.194 740 E C 2.169 178.770 176.600 0.001 0.000 0.996 740 E CA 0.959 57.402 56.400 0.072 0.000 0.840 740 E CB 0.008 29.752 29.700 0.074 0.000 0.772 740 E HN 0.576 nan 8.360 nan 0.000 0.491 741 M N -0.419 119.151 119.600 -0.050 0.000 2.191 741 M HA -0.037 4.449 4.480 0.009 0.000 0.262 741 M C 2.056 178.263 176.300 -0.155 0.000 1.083 741 M CA 0.915 56.166 55.300 -0.081 0.000 1.154 741 M CB -0.059 32.493 32.600 -0.080 0.000 1.344 741 M HN 0.141 nan 8.290 nan 0.000 0.431 742 L N -0.010 121.042 121.223 -0.286 0.000 2.187 742 L HA -0.236 4.110 4.340 0.009 0.000 0.213 742 L C 2.424 178.984 176.870 -0.516 0.000 1.100 742 L CA 1.271 55.781 54.840 -0.549 0.000 0.765 742 L CB -0.752 40.647 42.059 -1.100 0.000 0.904 742 L HN 0.445 nan 8.230 nan 0.000 0.437 743 Q N -0.047 119.588 119.800 -0.275 0.000 2.167 743 Q HA -0.174 4.172 4.340 0.009 0.000 0.202 743 Q C 2.196 178.182 176.000 -0.022 0.000 0.970 743 Q CA 1.171 56.959 55.803 -0.024 0.000 0.855 743 Q CB 0.076 28.889 28.738 0.125 0.000 0.911 743 Q HN 0.491 nan 8.270 nan 0.000 0.438 744 K N -0.109 120.262 120.400 -0.049 0.000 2.062 744 K HA -0.083 4.243 4.320 0.009 0.000 0.205 744 K C 2.095 178.667 176.600 -0.046 0.000 1.051 744 K CA 1.184 57.450 56.287 -0.035 0.000 0.941 744 K CB 0.025 32.507 32.500 -0.030 0.000 0.719 744 K HN 0.017 nan 8.250 nan 0.000 0.440 745 V N 1.374 121.244 119.914 -0.073 0.000 2.295 745 V HA -0.238 3.888 4.120 0.009 0.000 0.246 745 V C 2.174 178.245 176.094 -0.039 0.000 1.049 745 V CA 2.076 64.340 62.300 -0.061 0.000 1.024 745 V CB -0.775 30.997 31.823 -0.085 0.000 0.648 745 V HN 0.374 nan 8.190 nan 0.000 0.447 746 T N 0.715 115.240 114.554 -0.047 0.000 2.665 746 T HA -0.201 4.154 4.350 0.009 0.000 0.268 746 T C 1.885 176.600 174.700 0.024 0.000 1.035 746 T CA 1.856 63.972 62.100 0.026 0.000 1.151 746 T CB -0.349 68.579 68.868 0.100 0.000 0.862 746 T HN 0.298 nan 8.240 nan 0.000 0.438 747 L N 0.728 121.941 121.223 -0.017 0.000 2.027 747 L HA -0.096 4.249 4.340 0.009 0.000 0.206 747 L C 2.528 179.361 176.870 -0.062 0.000 1.074 747 L CA 1.192 55.980 54.840 -0.087 0.000 0.745 747 L CB -0.601 41.391 42.059 -0.112 0.000 0.898 747 L HN 0.183 nan 8.230 nan 0.000 0.433 748 D N 0.151 120.529 120.400 -0.037 0.000 2.144 748 D HA -0.174 4.471 4.640 0.009 0.000 0.199 748 D C 2.203 178.496 176.300 -0.011 0.000 0.984 748 D CA 1.033 55.018 54.000 -0.025 0.000 0.834 748 D CB -0.011 40.777 40.800 -0.020 0.000 0.955 748 D HN 0.155 nan 8.370 nan 0.000 0.465 749 I N 0.762 121.330 120.570 -0.002 0.000 2.315 749 I HA -0.193 3.982 4.170 0.009 0.000 0.248 749 I C 2.127 178.258 176.117 0.022 0.000 1.117 749 I CA 0.902 62.211 61.300 0.014 0.000 1.404 749 I CB -0.404 37.612 38.000 0.026 0.000 1.071 749 I HN -0.095 nan 8.210 nan 0.000 0.419 750 K N 0.852 121.264 120.400 0.020 0.000 2.209 750 K HA -0.096 4.230 4.320 0.009 0.000 0.204 750 K C 2.144 178.756 176.600 0.020 0.000 1.048 750 K CA 1.329 57.636 56.287 0.033 0.000 0.940 750 K CB -0.112 32.401 32.500 0.023 0.000 0.729 750 K HN 0.130 nan 8.250 nan 0.000 0.451 751 S N 0.207 115.907 115.700 -0.000 0.000 2.387 751 S HA 0.042 4.517 4.470 0.009 0.000 0.226 751 S C 1.238 175.844 174.600 0.010 0.000 1.026 751 S CA 0.742 58.942 58.200 0.001 0.000 0.972 751 S CB -0.101 63.094 63.200 -0.009 0.000 0.814 751 S HN 0.267 nan 8.310 nan 0.000 0.477 752 L N 1.526 122.755 121.223 0.011 0.000 2.675 752 L HA 0.186 4.531 4.340 0.009 0.000 0.239 752 L C -0.189 176.693 176.870 0.020 0.000 1.151 752 L CA 0.132 54.980 54.840 0.013 0.000 0.905 752 L CB -0.460 41.606 42.059 0.012 0.000 1.057 752 L HN 0.071 nan 8.230 nan 0.000 0.435 753 S N -0.688 115.027 115.700 0.025 0.000 2.572 753 S HA 0.673 5.149 4.470 0.009 0.000 0.274 753 S C 0.166 174.784 174.600 0.031 0.000 1.150 753 S CA -0.649 57.570 58.200 0.031 0.000 0.944 753 S CB 2.443 65.668 63.200 0.043 0.000 1.071 753 S HN 0.201 nan 8.310 nan 0.000 0.479 754 A N 1.819 124.653 122.820 0.024 0.000 2.790 754 A HA 0.568 4.894 4.320 0.009 0.000 0.225 754 A C 1.269 178.861 177.584 0.013 0.000 1.904 754 A CA 0.477 52.523 52.037 0.015 0.000 0.878 754 A CB -0.275 18.726 19.000 0.003 0.000 1.774 754 A HN 0.768 nan 8.150 nan 0.000 0.714 755 E N -0.626 119.567 120.200 -0.012 0.000 2.206 755 E HA 0.073 4.429 4.350 0.009 0.000 0.195 755 E C 0.608 177.155 176.600 -0.089 0.000 0.935 755 E CA 0.463 56.844 56.400 -0.032 0.000 0.875 755 E CB -0.094 29.580 29.700 -0.044 0.000 0.841 755 E HN 0.443 nan 8.360 nan 0.000 0.477 756 K N 2.040 122.365 120.400 -0.126 0.000 2.320 756 K HA -0.076 4.249 4.320 0.009 0.000 0.273 756 K C -0.732 175.811 176.600 -0.095 0.000 1.146 756 K CA -0.234 55.914 56.287 -0.231 0.000 1.144 756 K CB -0.484 31.935 32.500 -0.135 0.000 0.878 756 K HN 0.075 nan 8.250 nan 0.000 0.458 757 Y N 2.655 122.966 120.300 0.018 0.000 2.993 757 Y HA -0.072 4.484 4.550 0.009 0.000 0.340 757 Y C 0.486 176.392 175.900 0.011 0.000 1.273 757 Y CA 0.350 58.460 58.100 0.016 0.000 1.545 757 Y CB 0.055 38.523 38.460 0.014 0.000 1.275 757 Y HN 0.837 nan 8.280 nan 0.000 0.617 758 D N -2.118 118.412 120.400 0.218 0.000 1.562 758 D HA 0.021 4.666 4.640 0.009 0.000 0.519 758 D C -0.635 175.704 176.300 0.066 0.000 1.238 758 D CA 0.072 54.147 54.000 0.124 0.000 0.809 758 D CB -0.081 40.784 40.800 0.109 0.000 3.046 758 D HN 0.637 nan 8.370 nan 0.000 0.227 759 V N 1.188 121.139 119.914 0.062 0.000 3.677 759 V HA -0.022 4.103 4.120 0.009 0.000 0.479 759 V C 0.274 176.383 176.094 0.025 0.000 0.682 759 V CA 0.248 62.572 62.300 0.040 0.000 1.977 759 V CB -1.759 30.083 31.823 0.031 0.000 2.402 759 V HN 0.979 nan 8.190 nan 0.000 0.501 760 S N 2.768 118.482 115.700 0.023 0.000 2.693 760 S HA 0.649 5.125 4.470 0.009 0.000 0.276 760 S C 1.425 176.031 174.600 0.009 0.000 1.192 760 S CA 0.004 58.213 58.200 0.015 0.000 0.994 760 S CB 1.813 65.022 63.200 0.016 0.000 1.012 760 S HN 2.040 nan 8.310 nan 0.000 0.550 761 S N -0.168 115.534 115.700 0.004 0.000 2.474 761 S HA -0.181 4.294 4.470 0.009 0.000 0.235 761 S C 1.722 176.324 174.600 0.004 0.000 0.997 761 S CA 1.047 59.247 58.200 0.001 0.000 0.949 761 S CB -0.704 62.495 63.200 -0.001 0.000 0.766 761 S HN 0.825 nan 8.310 nan 0.000 0.517 762 Q N 0.469 120.273 119.800 0.007 0.000 2.046 762 Q HA -0.056 4.289 4.340 0.009 0.000 0.200 762 Q C 2.161 178.166 176.000 0.009 0.000 0.975 762 Q CA 1.729 57.537 55.803 0.007 0.000 0.836 762 Q CB -0.352 28.390 28.738 0.008 0.000 0.896 762 Q HN 0.480 nan 8.270 nan 0.000 0.428 763 V N 0.662 120.584 119.914 0.013 0.000 2.515 763 V HA -0.185 3.941 4.120 0.009 0.000 0.250 763 V C 2.022 178.125 176.094 0.016 0.000 1.058 763 V CA 1.313 63.623 62.300 0.016 0.000 1.064 763 V CB -0.250 31.586 31.823 0.023 0.000 0.675 763 V HN 0.404 nan 8.190 nan 0.000 0.461 764 I N -0.393 120.185 120.570 0.013 0.000 2.439 764 I HA -0.136 4.039 4.170 0.009 0.000 0.251 764 I C 2.649 178.770 176.117 0.007 0.000 1.139 764 I CA 1.561 62.868 61.300 0.011 0.000 1.438 764 I CB -0.378 37.624 38.000 0.003 0.000 1.085 764 I HN 0.365 nan 8.210 nan 0.000 0.427 765 S N 0.349 116.052 115.700 0.005 0.000 2.383 765 S HA -0.186 4.290 4.470 0.009 0.000 0.227 765 S C 2.039 176.641 174.600 0.003 0.000 1.026 765 S CA 1.193 59.395 58.200 0.003 0.000 0.981 765 S CB -0.077 63.125 63.200 0.003 0.000 0.818 765 S HN 0.367 nan 8.310 nan 0.000 0.472 766 Q N 0.562 120.365 119.800 0.005 0.000 2.170 766 Q HA -0.024 4.321 4.340 0.009 0.000 0.203 766 Q C 2.176 178.178 176.000 0.003 0.000 0.976 766 Q CA 0.865 56.671 55.803 0.004 0.000 0.858 766 Q CB -0.445 28.296 28.738 0.006 0.000 0.907 766 Q HN 0.549 nan 8.270 nan 0.000 0.433 767 L N 0.686 121.913 121.223 0.007 0.000 2.023 767 L HA -0.154 4.191 4.340 0.009 0.000 0.205 767 L C 2.173 179.043 176.870 -0.000 0.000 1.073 767 L CA 1.236 56.080 54.840 0.007 0.000 0.745 767 L CB -0.144 41.927 42.059 0.020 0.000 0.900 767 L HN 0.150 nan 8.230 nan 0.000 0.435 768 K N -0.342 120.059 120.400 0.001 0.000 2.113 768 K HA -0.249 4.077 4.320 0.009 0.000 0.208 768 K C 1.971 178.568 176.600 -0.006 0.000 1.047 768 K CA 1.715 58.000 56.287 -0.003 0.000 0.928 768 K CB -0.193 32.307 32.500 -0.001 0.000 0.716 768 K HN 0.553 nan 8.250 nan 0.000 0.446 769 Q N 0.870 120.668 119.800 -0.004 0.000 2.016 769 Q HA -0.130 4.216 4.340 0.009 0.000 0.200 769 Q C 2.061 178.057 176.000 -0.007 0.000 0.978 769 Q CA 1.333 57.134 55.803 -0.004 0.000 0.833 769 Q CB -0.116 28.620 28.738 -0.002 0.000 0.895 769 Q HN 0.269 nan 8.270 nan 0.000 0.427 770 K N 0.676 121.071 120.400 -0.009 0.000 2.063 770 K HA -0.135 4.190 4.320 0.009 0.000 0.208 770 K C 2.112 178.700 176.600 -0.020 0.000 1.048 770 K CA 1.096 57.374 56.287 -0.015 0.000 0.928 770 K CB -0.164 32.325 32.500 -0.017 0.000 0.713 770 K HN 0.166 nan 8.250 nan 0.000 0.442 771 L N 1.020 122.230 121.223 -0.022 0.000 2.093 771 L HA -0.167 4.178 4.340 0.009 0.000 0.208 771 L C 2.400 179.258 176.870 -0.021 0.000 1.085 771 L CA 0.946 55.769 54.840 -0.030 0.000 0.755 771 L CB -0.382 41.654 42.059 -0.038 0.000 0.904 771 L HN 0.190 nan 8.230 nan 0.000 0.435 772 E N 0.449 120.641 120.200 -0.014 0.000 2.097 772 E HA -0.242 4.114 4.350 0.009 0.000 0.196 772 E C 1.821 178.418 176.600 -0.004 0.000 1.000 772 E CA 1.397 57.792 56.400 -0.007 0.000 0.804 772 E CB -0.506 29.192 29.700 -0.005 0.000 0.740 772 E HN 0.625 nan 8.360 nan 0.000 0.454 773 N N 0.310 119.006 118.700 -0.006 0.000 2.166 773 N HA -0.115 4.631 4.740 0.009 0.000 0.186 773 N C 2.064 177.572 175.510 -0.003 0.000 1.019 773 N CA 0.675 53.722 53.050 -0.004 0.000 0.856 773 N CB -0.059 38.424 38.487 -0.007 0.000 0.993 773 N HN 0.097 nan 8.380 nan 0.000 0.426 774 L N 0.477 121.695 121.223 -0.008 0.000 2.072 774 L HA -0.109 4.237 4.340 0.009 0.000 0.205 774 L C 2.384 179.259 176.870 0.008 0.000 1.079 774 L CA 0.750 55.587 54.840 -0.005 0.000 0.752 774 L CB -0.449 41.600 42.059 -0.017 0.000 0.906 774 L HN 0.130 nan 8.230 nan 0.000 0.436 775 Q N 0.750 120.555 119.800 0.009 0.000 2.389 775 Q HA -0.153 4.193 4.340 0.009 0.000 0.213 775 Q C 0.877 176.891 176.000 0.024 0.000 0.989 775 Q CA 1.109 56.925 55.803 0.021 0.000 0.891 775 Q CB -0.153 28.592 28.738 0.012 0.000 0.923 775 Q HN 0.471 nan 8.270 nan 0.000 0.455 776 N N -1.219 117.491 118.700 0.017 0.000 2.318 776 N HA 0.016 4.762 4.740 0.009 0.000 0.283 776 N C -0.676 174.846 175.510 0.021 0.000 1.306 776 N CA 0.243 53.303 53.050 0.017 0.000 0.941 776 N CB -0.171 38.324 38.487 0.012 0.000 1.059 776 N HN -0.055 nan 8.380 nan 0.000 0.496 777 S N 0.360 116.071 115.700 0.019 0.000 3.900 777 S HA 0.098 4.574 4.470 0.009 0.000 0.248 777 S C -0.007 174.604 174.600 0.018 0.000 1.310 777 S CA 0.144 58.357 58.200 0.021 0.000 0.915 777 S CB -0.762 62.450 63.200 0.019 0.000 1.588 777 S HN 0.317 nan 8.310 nan 0.000 0.472 778 Q N 1.684 121.495 119.800 0.019 0.000 2.237 778 Q HA 0.163 4.509 4.340 0.009 0.000 0.164 778 Q C -0.127 175.880 176.000 0.013 0.000 0.658 778 Q CA -0.190 55.621 55.803 0.013 0.000 0.895 778 Q CB 0.045 28.786 28.738 0.004 0.000 1.175 778 Q HN 0.615 nan 8.270 nan 0.000 0.355 779 L N 5.234 126.467 121.223 0.017 0.000 2.363 779 L HA 0.277 4.622 4.340 0.009 0.000 0.286 779 L C -2.228 174.672 176.870 0.050 0.000 1.106 779 L CA -1.415 53.436 54.840 0.019 0.000 0.859 779 L CB 0.593 42.673 42.059 0.035 0.000 1.223 779 L HN -0.081 nan 8.230 nan 0.000 0.446 780 P HA -0.126 nan 4.420 nan 0.000 0.271 780 P C 0.438 177.806 177.300 0.114 0.000 1.197 780 P CA 0.074 63.219 63.100 0.075 0.000 0.777 780 P CB 0.518 32.259 31.700 0.068 0.000 0.827 781 E N 0.155 120.417 120.200 0.103 0.000 2.097 781 E HA -0.121 4.234 4.350 0.009 0.000 0.196 781 E C 0.845 177.529 176.600 0.140 0.000 1.000 781 E CA 1.732 58.195 56.400 0.105 0.000 0.804 781 E CB -0.296 29.450 29.700 0.077 0.000 0.740 781 E HN 0.649 nan 8.360 nan 0.000 0.454 782 S N -1.001 114.786 115.700 0.146 0.000 2.671 782 S HA 0.657 5.133 4.470 0.009 0.000 0.277 782 S C -0.878 173.856 174.600 0.224 0.000 1.165 782 S CA -1.011 57.279 58.200 0.150 0.000 0.822 782 S CB 1.805 65.009 63.200 0.006 0.000 1.150 782 S HN 0.168 nan 8.310 nan 0.000 0.479 783 F N -1.754 118.128 119.950 -0.113 0.000 2.719 783 F HA 0.711 5.243 4.527 0.009 0.000 0.309 783 F C -0.915 174.767 175.800 -0.197 0.000 1.138 783 F CA -1.257 56.654 58.000 -0.147 0.000 0.943 783 F CB 0.915 39.845 39.000 -0.118 0.000 1.304 783 F HN 0.729 nan 8.300 nan 0.000 0.445 784 R N 1.195 121.559 120.500 -0.226 0.000 2.539 784 R HA 0.594 4.940 4.340 0.009 0.000 0.275 784 R C -1.031 175.035 176.300 -0.390 0.000 1.077 784 R CA -0.992 54.885 56.100 -0.373 0.000 1.097 784 R CB 1.544 31.651 30.300 -0.322 0.000 1.018 784 R HN 0.573 nan 8.270 nan 0.000 0.483 785 V N 5.490 125.073 119.914 -0.551 0.000 2.405 785 V HA 0.041 4.167 4.120 0.009 0.000 0.264 785 V C -1.469 174.277 176.094 -0.580 0.000 1.048 785 V CA -1.254 60.678 62.300 -0.614 0.000 0.966 785 V CB 1.021 32.380 31.823 -0.775 0.000 1.015 785 V HN 0.652 nan 8.190 nan 0.000 0.477 786 P HA -0.226 nan 4.420 nan 0.000 0.220 786 P C 1.106 178.201 177.300 -0.342 0.000 1.155 786 P CA 1.888 64.707 63.100 -0.470 0.000 0.880 786 P CB -0.059 31.066 31.700 -0.958 0.000 0.790 787 Y N -3.072 117.133 120.300 -0.158 0.000 2.466 787 Y HA 0.432 4.988 4.550 0.009 0.000 0.272 787 Y C 0.058 176.025 175.900 0.113 0.000 1.169 787 Y CA -0.498 57.634 58.100 0.053 0.000 1.285 787 Y CB -0.515 37.972 38.460 0.044 0.000 1.078 787 Y HN -0.177 nan 8.280 nan 0.000 0.523 788 D N 1.402 121.640 120.400 -0.270 0.000 2.823 788 D HA 0.166 4.811 4.640 0.009 0.000 0.255 788 D C -2.212 173.889 176.300 -0.332 0.000 1.257 788 D CA -2.008 51.915 54.000 -0.129 0.000 0.803 788 D CB 1.081 41.853 40.800 -0.046 0.000 1.384 788 D HN -0.019 nan 8.370 nan 0.000 0.541 789 P HA -0.099 nan 4.420 nan 0.000 0.220 789 P C 1.360 178.420 177.300 -0.399 0.000 1.144 789 P CA 0.819 63.532 63.100 -0.646 0.000 0.800 789 P CB 0.257 31.362 31.700 -0.990 0.000 0.772 790 G N -0.475 108.177 108.800 -0.245 0.000 2.598 790 G HA2 -0.016 3.949 3.960 0.009 0.000 0.215 790 G HA3 -0.016 3.949 3.960 0.009 0.000 0.215 790 G C 0.717 175.477 174.900 -0.233 0.000 1.131 790 G CA -0.000 44.988 45.100 -0.186 0.000 0.785 790 G HN 0.252 nan 8.290 nan 0.000 0.539 791 L N 1.159 122.223 121.223 -0.265 0.000 2.287 791 L HA 0.390 4.736 4.340 0.009 0.000 0.287 791 L C -0.403 176.246 176.870 -0.368 0.000 1.022 791 L CA -0.839 53.833 54.840 -0.281 0.000 0.814 791 L CB 1.859 43.772 42.059 -0.245 0.000 1.217 791 L HN -0.133 nan 8.230 nan 0.000 0.420 792 K N 3.097 123.298 120.400 -0.331 0.000 2.227 792 K HA 0.588 4.914 4.320 0.009 0.000 0.280 792 K C -0.522 175.825 176.600 -0.422 0.000 1.041 792 K CA -0.251 55.811 56.287 -0.375 0.000 0.905 792 K CB 1.891 34.239 32.500 -0.254 0.000 1.068 792 K HN 0.632 nan 8.250 nan 0.000 0.470 793 A N 2.724 125.128 122.820 -0.694 0.000 2.317 793 A HA 0.706 5.031 4.320 0.009 0.000 0.327 793 A C 0.457 177.845 177.584 -0.328 0.000 1.178 793 A CA -0.320 51.326 52.037 -0.651 0.000 0.817 793 A CB 1.256 19.487 19.000 -1.283 0.000 1.189 793 A HN 0.737 nan 8.150 nan 0.000 0.489 794 G N 0.351 109.137 108.800 -0.024 0.000 3.075 794 G HA2 0.583 4.548 3.960 0.009 0.000 0.156 794 G HA3 0.583 4.548 3.960 0.009 0.000 0.156 794 G C 0.527 175.615 174.900 0.313 0.000 1.403 794 G CA 0.111 45.282 45.100 0.119 0.000 1.033 794 G HN 1.434 nan 8.290 nan 0.000 0.589 795 A N -0.896 122.059 122.820 0.224 0.000 2.425 795 A HA 0.543 4.869 4.320 0.009 0.000 0.242 795 A C 0.265 177.962 177.584 0.189 0.000 1.077 795 A CA -0.290 51.873 52.037 0.210 0.000 0.781 795 A CB -0.038 19.028 19.000 0.111 0.000 1.020 795 A HN 0.481 nan 8.150 nan 0.000 0.494 796 L N 0.731 121.993 121.223 0.066 0.000 2.467 796 L HA 0.303 4.648 4.340 0.009 0.000 0.270 796 L C 1.023 177.828 176.870 -0.109 0.000 1.205 796 L CA 0.149 54.860 54.840 -0.214 0.000 0.828 796 L CB 0.906 42.815 42.059 -0.251 0.000 1.101 796 L HN 0.774 nan 8.230 nan 0.000 0.479 797 A N 3.914 126.647 122.820 -0.145 0.000 3.249 797 A HA 0.351 4.677 4.320 0.009 0.000 0.297 797 A C 1.209 178.764 177.584 -0.048 0.000 1.302 797 A CA -0.435 51.574 52.037 -0.047 0.000 1.074 797 A CB -0.567 18.430 19.000 -0.004 0.000 1.132 797 A HN 0.814 nan 8.150 nan 0.000 0.575 798 I N -0.303 120.234 120.570 -0.056 0.000 2.462 798 I HA -0.340 3.836 4.170 0.009 0.000 0.259 798 I C 1.828 177.940 176.117 -0.008 0.000 1.156 798 I CA 1.553 62.830 61.300 -0.038 0.000 1.417 798 I CB -0.169 37.814 38.000 -0.029 0.000 1.088 798 I HN 0.518 nan 8.210 nan 0.000 0.442 799 E N 0.675 120.877 120.200 0.002 0.000 2.371 799 E HA -0.087 4.269 4.350 0.009 0.000 0.194 799 E C 1.744 178.360 176.600 0.027 0.000 1.012 799 E CA 0.638 57.046 56.400 0.012 0.000 0.860 799 E CB 0.061 29.769 29.700 0.013 0.000 0.811 799 E HN 0.441 nan 8.360 nan 0.000 0.502 800 K N -0.425 120.004 120.400 0.048 0.000 2.353 800 K HA 0.196 4.522 4.320 0.009 0.000 0.195 800 K C -0.066 176.630 176.600 0.161 0.000 1.031 800 K CA -0.131 56.215 56.287 0.098 0.000 1.079 800 K CB 0.552 33.135 32.500 0.138 0.000 0.857 800 K HN 0.051 nan 8.250 nan 0.000 0.535 801 C N 2.424 121.795 119.300 0.118 0.000 2.595 801 C HA 0.366 4.832 4.460 0.009 0.000 0.384 801 C C 0.363 175.419 174.990 0.111 0.000 1.289 801 C CA -0.546 58.572 59.018 0.166 0.000 2.372 801 C CB -0.087 27.689 27.740 0.059 0.000 2.593 801 C HN 0.533 nan 8.230 nan 0.000 0.639 802 K N -0.677 119.810 120.400 0.144 0.000 2.770 802 K HA 0.669 4.995 4.320 0.009 0.000 0.289 802 K C -2.211 174.453 176.600 0.107 0.000 1.051 802 K CA -0.799 55.528 56.287 0.066 0.000 0.814 802 K CB 0.544 33.020 32.500 -0.039 0.000 1.512 802 K HN 0.222 nan 8.250 nan 0.000 0.368 803 V N 1.976 121.927 119.914 0.061 0.000 2.448 803 V HA 0.392 4.517 4.120 0.009 0.000 0.295 803 V C -0.147 175.982 176.094 0.058 0.000 1.025 803 V CA -0.834 61.516 62.300 0.084 0.000 0.859 803 V CB 1.401 33.264 31.823 0.066 0.000 0.988 803 V HN 0.649 nan 8.190 nan 0.000 0.431 804 M N 3.413 123.070 119.600 0.095 0.000 2.238 804 M HA 0.353 4.838 4.480 0.009 0.000 0.347 804 M C 0.614 176.946 176.300 0.054 0.000 1.173 804 M CA -0.047 55.292 55.300 0.064 0.000 1.147 804 M CB 0.865 33.542 32.600 0.128 0.000 1.547 804 M HN 0.714 nan 8.290 nan 0.000 0.455 805 A N 3.299 126.132 122.820 0.022 0.000 3.004 805 A HA 0.437 4.763 4.320 0.009 0.000 0.286 805 A C 0.061 177.684 177.584 0.066 0.000 1.632 805 A CA -0.284 51.777 52.037 0.039 0.000 1.339 805 A CB -0.665 18.331 19.000 -0.006 0.000 1.136 805 A HN 0.830 nan 8.150 nan 0.000 0.577 806 S N 0.206 115.969 115.700 0.106 0.000 2.685 806 S HA 0.597 5.072 4.470 0.009 0.000 0.282 806 S C 0.530 175.216 174.600 0.144 0.000 1.159 806 S CA -0.847 57.430 58.200 0.127 0.000 0.833 806 S CB 1.041 64.293 63.200 0.086 0.000 1.151 806 S HN 0.210 nan 8.310 nan 0.000 0.485 807 K N 1.065 121.545 120.400 0.133 0.000 2.000 807 K HA -0.012 4.313 4.320 0.009 0.000 0.218 807 K C 0.556 177.199 176.600 0.071 0.000 1.053 807 K CA 1.629 57.965 56.287 0.082 0.000 0.946 807 K CB -0.366 32.167 32.500 0.056 0.000 0.723 807 K HN 0.481 nan 8.250 nan 0.000 0.446 808 K N 1.387 121.832 120.400 0.076 0.000 2.138 808 K HA 0.127 4.453 4.320 0.009 0.000 0.251 808 K C -0.104 176.558 176.600 0.104 0.000 1.015 808 K CA -0.224 56.117 56.287 0.090 0.000 0.917 808 K CB 0.454 33.005 32.500 0.086 0.000 1.021 808 K HN -0.112 nan 8.250 nan 0.000 0.485 809 K N 2.414 122.886 120.400 0.120 0.000 2.533 809 K HA 0.269 4.594 4.320 0.009 0.000 0.207 809 K C -2.394 174.289 176.600 0.139 0.000 1.052 809 K CA -1.783 54.574 56.287 0.116 0.000 1.030 809 K CB 0.791 33.349 32.500 0.097 0.000 1.522 809 K HN 0.437 nan 8.250 nan 0.000 0.543 810 P HA 0.257 nan 4.420 nan 0.000 0.284 810 P C -0.046 177.384 177.300 0.216 0.000 1.253 810 P CA -0.523 62.691 63.100 0.190 0.000 0.800 810 P CB 1.258 33.064 31.700 0.176 0.000 0.961 811 L N 2.608 123.979 121.223 0.247 0.000 2.397 811 L HA 0.229 4.575 4.340 0.009 0.000 0.271 811 L C 0.693 177.768 176.870 0.342 0.000 1.148 811 L CA -0.262 54.733 54.840 0.258 0.000 0.825 811 L CB 0.594 42.785 42.059 0.221 0.000 1.117 811 L HN 0.541 nan 8.230 nan 0.000 0.456 812 W N 6.183 127.549 121.300 0.110 0.000 2.374 812 W HA 0.426 5.091 4.660 0.009 0.000 0.302 812 W C -1.399 175.178 176.519 0.097 0.000 0.942 812 W CA -0.770 56.640 57.345 0.109 0.000 1.666 812 W CB 0.326 29.829 29.460 0.072 0.000 1.593 812 W HN 0.390 nan 8.180 nan 0.000 0.412 813 L N 3.257 124.582 121.223 0.171 0.000 2.456 813 L HA 0.496 4.841 4.340 0.009 0.000 0.257 813 L C 0.202 177.062 176.870 -0.017 0.000 1.162 813 L CA -0.315 54.566 54.840 0.068 0.000 0.808 813 L CB 0.821 42.927 42.059 0.078 0.000 1.136 813 L HN 0.176 nan 8.230 nan 0.000 0.466 814 E N 0.507 120.622 120.200 -0.142 0.000 2.321 814 E HA 0.550 4.905 4.350 0.009 0.000 0.278 814 E C -1.732 174.772 176.600 -0.161 0.000 0.902 814 E CA -0.499 55.899 56.400 -0.002 0.000 0.758 814 E CB 2.400 32.152 29.700 0.087 0.000 1.213 814 E HN 0.213 nan 8.360 nan 0.000 0.426 815 F N 0.826 120.820 119.950 0.074 0.000 2.593 815 F HA 0.463 4.995 4.527 0.009 0.000 0.320 815 F C 0.369 176.189 175.800 0.034 0.000 1.060 815 F CA -1.017 57.027 58.000 0.074 0.000 0.940 815 F CB 1.229 40.286 39.000 0.096 0.000 1.268 815 F HN 0.050 nan 8.300 nan 0.000 0.475 816 K N 0.311 120.839 120.400 0.213 0.000 2.154 816 K HA 0.365 4.690 4.320 0.009 0.000 0.264 816 K C -0.694 175.952 176.600 0.077 0.000 1.008 816 K CA -0.614 55.740 56.287 0.112 0.000 0.937 816 K CB 1.393 33.940 32.500 0.079 0.000 1.002 816 K HN 0.703 nan 8.250 nan 0.000 0.469 817 C N 2.307 121.621 119.300 0.022 0.000 2.566 817 C HA 0.251 4.716 4.460 0.009 0.000 0.393 817 C C 1.476 176.440 174.990 -0.044 0.000 1.309 817 C CA -0.374 58.622 59.018 -0.036 0.000 1.801 817 C CB -1.188 26.526 27.740 -0.045 0.000 2.493 817 C HN 0.872 nan 8.230 nan 0.000 0.575 818 A N 4.236 127.010 122.820 -0.077 0.000 2.261 818 A HA 0.108 4.433 4.320 0.009 0.000 0.208 818 A C 0.759 178.302 177.584 -0.067 0.000 1.223 818 A CA 0.615 52.617 52.037 -0.059 0.000 0.833 818 A CB -0.368 18.591 19.000 -0.068 0.000 0.830 818 A HN 0.926 nan 8.150 nan 0.000 0.483 819 D N 0.132 120.482 120.400 -0.083 0.000 2.441 819 D HA 0.227 4.872 4.640 0.009 0.000 0.231 819 D C -1.623 174.632 176.300 -0.075 0.000 1.073 819 D CA -1.640 52.306 54.000 -0.090 0.000 0.850 819 D CB 1.715 42.439 40.800 -0.126 0.000 1.062 819 D HN 0.076 nan 8.370 nan 0.000 0.524 820 P HA -0.166 nan 4.420 nan 0.000 0.215 820 P C 1.217 178.479 177.300 -0.063 0.000 1.153 820 P CA 1.297 64.368 63.100 -0.048 0.000 0.853 820 P CB -0.114 31.565 31.700 -0.035 0.000 0.788 821 T N -2.364 112.139 114.554 -0.084 0.000 3.077 821 T HA 0.112 4.468 4.350 0.009 0.000 0.269 821 T C 1.103 175.718 174.700 -0.142 0.000 1.146 821 T CA 0.365 62.398 62.100 -0.111 0.000 1.091 821 T CB -1.112 67.675 68.868 -0.134 0.000 0.892 821 T HN 0.234 nan 8.240 nan 0.000 0.533 822 A N 0.926 123.675 122.820 -0.118 0.000 2.586 822 A HA 0.332 4.657 4.320 0.009 0.000 0.231 822 A C 1.012 178.523 177.584 -0.121 0.000 1.055 822 A CA -0.250 51.718 52.037 -0.114 0.000 0.756 822 A CB -0.170 18.782 19.000 -0.080 0.000 0.988 822 A HN 0.452 nan 8.150 nan 0.000 0.509 823 L N 1.550 122.696 121.223 -0.129 0.000 2.629 823 L HA 0.271 4.616 4.340 0.009 0.000 0.230 823 L C 0.841 177.654 176.870 -0.094 0.000 1.151 823 L CA 1.211 55.956 54.840 -0.158 0.000 0.924 823 L CB -0.456 41.463 42.059 -0.235 0.000 1.137 823 L HN 0.785 nan 8.230 nan 0.000 0.457 824 S N -1.824 113.843 115.700 -0.055 0.000 2.727 824 S HA 0.386 4.861 4.470 0.009 0.000 0.278 824 S C -0.115 174.478 174.600 -0.011 0.000 1.186 824 S CA -0.617 57.568 58.200 -0.025 0.000 0.836 824 S CB 0.778 63.974 63.200 -0.007 0.000 1.186 824 S HN 0.285 nan 8.310 nan 0.000 0.499 825 N N 0.381 119.084 118.700 0.005 0.000 2.171 825 N HA 0.130 4.876 4.740 0.009 0.000 0.212 825 N C -0.928 174.599 175.510 0.029 0.000 1.184 825 N CA -0.069 52.989 53.050 0.014 0.000 0.888 825 N CB 0.812 39.309 38.487 0.017 0.000 1.038 825 N HN 0.545 nan 8.380 nan 0.000 0.517 826 E N 2.295 122.515 120.200 0.033 0.000 2.415 826 E HA 0.023 4.378 4.350 0.009 0.000 0.263 826 E C 0.557 177.190 176.600 0.056 0.000 0.995 826 E CA 0.199 56.629 56.400 0.050 0.000 0.915 826 E CB 0.553 30.284 29.700 0.053 0.000 0.951 826 E HN 0.167 nan 8.360 nan 0.000 0.449 827 T N -0.060 114.539 114.554 0.075 0.000 2.816 827 T HA 0.385 4.741 4.350 0.009 0.000 0.282 827 T C 0.208 174.965 174.700 0.095 0.000 0.993 827 T CA -0.786 61.369 62.100 0.092 0.000 0.994 827 T CB 0.548 69.482 68.868 0.110 0.000 1.025 827 T HN 0.167 nan 8.240 nan 0.000 0.529 828 I N 1.386 122.033 120.570 0.127 0.000 2.315 828 I HA 0.494 4.670 4.170 0.009 0.000 0.291 828 I C 0.935 177.158 176.117 0.176 0.000 1.006 828 I CA -0.129 61.241 61.300 0.117 0.000 1.265 828 I CB 0.971 39.001 38.000 0.051 0.000 1.387 828 I HN 0.926 nan 8.210 nan 0.000 0.475 829 G N 7.232 116.073 108.800 0.069 0.000 2.335 829 G HA2 0.740 4.706 3.960 0.009 0.000 0.316 829 G HA3 0.740 4.706 3.960 0.009 0.000 0.316 829 G C -0.576 174.296 174.900 -0.047 0.000 1.129 829 G CA -0.319 44.736 45.100 -0.075 0.000 0.899 829 G HN 0.474 nan 8.290 nan 0.000 0.448 830 I N 2.388 122.971 120.570 0.021 0.000 2.689 830 I HA 0.386 4.561 4.170 0.009 0.000 0.299 830 I C -0.797 175.339 176.117 0.031 0.000 1.059 830 I CA -1.053 60.313 61.300 0.109 0.000 1.055 830 I CB 2.467 40.674 38.000 0.345 0.000 1.243 830 I HN 0.103 nan 8.210 nan 0.000 0.425 831 I N 4.814 125.380 120.570 -0.007 0.000 2.378 831 I HA 0.342 4.518 4.170 0.009 0.000 0.291 831 I C -0.792 175.362 176.117 0.060 0.000 0.992 831 I CA -0.413 60.918 61.300 0.050 0.000 1.154 831 I CB 1.272 39.274 38.000 0.004 0.000 1.315 831 I HN 0.346 nan 8.210 nan 0.000 0.448 832 F N 6.016 126.034 119.950 0.113 0.000 2.388 832 F HA 0.434 4.967 4.527 0.009 0.000 0.358 832 F C 0.402 176.274 175.800 0.120 0.000 1.122 832 F CA -0.386 57.684 58.000 0.117 0.000 1.056 832 F CB 1.276 40.350 39.000 0.123 0.000 1.155 832 F HN 0.377 nan 8.300 nan 0.000 0.461 833 K N 2.908 123.441 120.400 0.222 0.000 2.395 833 K HA 0.542 4.868 4.320 0.009 0.000 0.247 833 K C -1.909 174.826 176.600 0.225 0.000 0.973 833 K CA -0.813 55.596 56.287 0.203 0.000 0.828 833 K CB 1.759 34.330 32.500 0.119 0.000 1.272 833 K HN 0.716 nan 8.250 nan 0.000 0.439 834 H N 0.197 119.339 119.070 0.120 0.000 2.717 834 H HA 0.525 5.086 4.556 0.009 0.000 0.366 834 H C 0.255 175.631 175.328 0.080 0.000 1.132 834 H CA 0.605 56.714 56.048 0.102 0.000 1.180 834 H CB 2.169 31.992 29.762 0.102 0.000 1.678 834 H HN 0.750 nan 8.280 nan 0.000 0.537 835 G N 3.536 111.891 108.800 -0.742 0.000 2.352 835 G HA2 -0.180 3.785 3.960 0.009 0.000 0.204 835 G HA3 -0.180 3.785 3.960 0.009 0.000 0.204 835 G C -0.561 174.228 174.900 -0.186 0.000 1.004 835 G CA 0.087 44.940 45.100 -0.412 0.000 0.648 835 G HN 0.658 nan 8.290 nan 0.000 0.491 836 D N 0.843 121.173 120.400 -0.116 0.000 2.228 836 D HA 0.520 5.165 4.640 0.009 0.000 0.247 836 D C -1.114 175.167 176.300 -0.033 0.000 0.995 836 D CA -0.343 53.633 54.000 -0.040 0.000 0.903 836 D CB 1.729 42.529 40.800 -0.000 0.000 1.205 836 D HN 0.058 nan 8.370 nan 0.000 0.459 837 D N 1.663 122.055 120.400 -0.012 0.000 2.468 837 D HA 0.077 4.723 4.640 0.009 0.000 0.218 837 D C 0.857 177.148 176.300 -0.016 0.000 1.155 837 D CA -0.416 53.574 54.000 -0.017 0.000 0.924 837 D CB 0.480 41.268 40.800 -0.021 0.000 1.029 837 D HN 0.011 nan 8.370 nan 0.000 0.515 838 L N 3.395 124.615 121.223 -0.005 0.000 2.265 838 L HA -0.016 4.329 4.340 0.009 0.000 0.215 838 L C 2.225 179.078 176.870 -0.029 0.000 1.117 838 L CA 1.108 55.949 54.840 0.002 0.000 0.782 838 L CB -0.541 41.523 42.059 0.009 0.000 0.914 838 L HN 0.388 nan 8.230 nan 0.000 0.441 839 R N -0.940 119.529 120.500 -0.052 0.000 2.127 839 R HA -0.194 4.152 4.340 0.009 0.000 0.238 839 R C 2.158 178.386 176.300 -0.121 0.000 1.134 839 R CA 1.229 57.271 56.100 -0.097 0.000 0.975 839 R CB -0.219 30.014 30.300 -0.111 0.000 0.865 839 R HN 0.544 nan 8.270 nan 0.000 0.447 840 Q N 0.237 119.975 119.800 -0.104 0.000 2.079 840 Q HA -0.157 4.188 4.340 0.009 0.000 0.200 840 Q C 1.430 177.374 176.000 -0.094 0.000 0.974 840 Q CA 1.588 57.315 55.803 -0.127 0.000 0.840 840 Q CB -0.024 28.623 28.738 -0.153 0.000 0.898 840 Q HN 0.325 nan 8.270 nan 0.000 0.430 841 D N 0.606 120.996 120.400 -0.017 0.000 2.092 841 D HA -0.187 4.458 4.640 0.009 0.000 0.193 841 D C 1.853 178.101 176.300 -0.087 0.000 0.994 841 D CA 1.416 55.446 54.000 0.051 0.000 0.828 841 D CB -0.116 40.776 40.800 0.155 0.000 0.963 841 D HN 0.159 nan 8.370 nan 0.000 0.450 842 M N -0.272 119.266 119.600 -0.103 0.000 2.088 842 M HA -0.207 4.279 4.480 0.009 0.000 0.256 842 M C 1.882 178.046 176.300 -0.227 0.000 1.071 842 M CA 0.994 56.199 55.300 -0.160 0.000 1.097 842 M CB -0.346 32.150 32.600 -0.173 0.000 1.315 842 M HN 0.085 nan 8.290 nan 0.000 0.406 843 L N 0.376 121.463 121.223 -0.227 0.000 1.990 843 L HA -0.236 4.109 4.340 0.009 0.000 0.213 843 L C 2.397 179.123 176.870 -0.240 0.000 1.072 843 L CA 1.856 56.559 54.840 -0.229 0.000 0.755 843 L CB -1.168 40.772 42.059 -0.200 0.000 0.889 843 L HN 0.292 nan 8.230 nan 0.000 0.432 844 I N -1.293 119.103 120.570 -0.291 0.000 2.142 844 I HA -0.269 3.906 4.170 0.009 0.000 0.240 844 I C 2.484 178.344 176.117 -0.428 0.000 1.078 844 I CA 1.006 62.062 61.300 -0.406 0.000 1.343 844 I CB -1.126 36.454 38.000 -0.700 0.000 1.046 844 I HN 0.189 nan 8.210 nan 0.000 0.405 845 L N 0.418 121.382 121.223 -0.432 0.000 2.013 845 L HA -0.254 4.091 4.340 0.009 0.000 0.212 845 L C 2.624 179.329 176.870 -0.275 0.000 1.073 845 L CA 1.788 56.417 54.840 -0.351 0.000 0.753 845 L CB -1.392 40.476 42.059 -0.318 0.000 0.890 845 L HN 0.291 nan 8.230 nan 0.000 0.432 846 Q N -0.504 119.144 119.800 -0.253 0.000 2.119 846 Q HA -0.116 4.229 4.340 0.009 0.000 0.201 846 Q C 2.208 178.074 176.000 -0.224 0.000 0.972 846 Q CA 1.543 57.206 55.803 -0.233 0.000 0.847 846 Q CB -0.230 28.370 28.738 -0.230 0.000 0.903 846 Q HN 0.553 nan 8.270 nan 0.000 0.433 847 I N -0.377 120.066 120.570 -0.211 0.000 2.394 847 I HA -0.235 3.940 4.170 0.009 0.000 0.251 847 I C 1.583 177.567 176.117 -0.221 0.000 1.136 847 I CA 0.336 61.526 61.300 -0.183 0.000 1.425 847 I CB -0.192 37.727 38.000 -0.135 0.000 1.079 847 I HN 0.218 nan 8.210 nan 0.000 0.425 848 L N 0.701 121.779 121.223 -0.241 0.000 2.083 848 L HA -0.152 4.194 4.340 0.009 0.000 0.209 848 L C 2.555 179.291 176.870 -0.223 0.000 1.083 848 L CA 1.755 56.450 54.840 -0.242 0.000 0.752 848 L CB -0.695 41.226 42.059 -0.230 0.000 0.899 848 L HN 0.142 nan 8.230 nan 0.000 0.433 849 R N -1.137 119.239 120.500 -0.206 0.000 2.148 849 R HA -0.014 4.332 4.340 0.009 0.000 0.223 849 R C 2.224 178.443 176.300 -0.135 0.000 1.088 849 R CA 0.962 56.958 56.100 -0.175 0.000 0.985 849 R CB -0.255 29.902 30.300 -0.237 0.000 0.880 849 R HN 0.343 nan 8.270 nan 0.000 0.451 850 I N 0.823 121.285 120.570 -0.180 0.000 2.202 850 I HA -0.263 3.912 4.170 0.009 0.000 0.242 850 I C 2.320 178.264 176.117 -0.288 0.000 1.091 850 I CA 1.382 62.576 61.300 -0.177 0.000 1.368 850 I CB -0.147 37.725 38.000 -0.213 0.000 1.058 850 I HN 0.130 nan 8.210 nan 0.000 0.410 851 M N -0.068 119.287 119.600 -0.408 0.000 2.267 851 M HA -0.229 4.256 4.480 0.009 0.000 0.263 851 M C 2.043 177.873 176.300 -0.784 0.000 1.063 851 M CA 1.681 56.520 55.300 -0.767 0.000 1.090 851 M CB -0.404 31.669 32.600 -0.878 0.000 1.392 851 M HN 0.223 nan 8.290 nan 0.000 0.422 852 E N 0.040 120.059 120.200 -0.302 0.000 2.015 852 E HA -0.158 4.198 4.350 0.009 0.000 0.191 852 E C 2.161 178.775 176.600 0.024 0.000 0.991 852 E CA 1.733 58.135 56.400 0.003 0.000 0.802 852 E CB -0.150 29.574 29.700 0.040 0.000 0.759 852 E HN 0.558 nan 8.360 nan 0.000 0.447 853 S N 1.131 116.828 115.700 -0.006 0.000 2.374 853 S HA -0.217 4.259 4.470 0.009 0.000 0.227 853 S C 2.041 176.585 174.600 -0.094 0.000 1.037 853 S CA 1.130 59.319 58.200 -0.018 0.000 1.024 853 S CB -0.430 62.697 63.200 -0.122 0.000 0.861 853 S HN 0.055 nan 8.310 nan 0.000 0.456 854 I N 1.177 121.591 120.570 -0.261 0.000 2.118 854 I HA -0.104 4.071 4.170 0.009 0.000 0.241 854 I C 2.351 178.411 176.117 -0.096 0.000 1.070 854 I CA 0.699 61.777 61.300 -0.371 0.000 1.327 854 I CB -1.196 36.394 38.000 -0.682 0.000 1.034 854 I HN 0.419 nan 8.210 nan 0.000 0.405 855 W N 0.874 122.131 121.300 -0.071 0.000 2.525 855 W HA -0.112 4.553 4.660 0.009 0.000 0.259 855 W C 2.477 179.037 176.519 0.069 0.000 1.253 855 W CA 1.106 58.440 57.345 -0.018 0.000 1.262 855 W CB -0.956 28.474 29.460 -0.050 0.000 1.122 855 W HN 0.393 nan 8.180 nan 0.000 0.607 856 E N 0.498 120.872 120.200 0.291 0.000 2.047 856 E HA -0.177 4.179 4.350 0.009 0.000 0.191 856 E C 1.964 178.667 176.600 0.172 0.000 0.987 856 E CA 2.141 58.705 56.400 0.274 0.000 0.799 856 E CB -0.290 29.519 29.700 0.181 0.000 0.752 856 E HN 0.039 nan 8.360 nan 0.000 0.449 857 T N -1.572 113.054 114.554 0.120 0.000 3.427 857 T HA -0.009 4.346 4.350 0.009 0.000 0.256 857 T C 0.557 175.334 174.700 0.128 0.000 1.172 857 T CA 0.520 62.678 62.100 0.096 0.000 1.018 857 T CB -0.118 68.801 68.868 0.084 0.000 0.981 857 T HN 0.204 nan 8.240 nan 0.000 0.555 858 E N -0.033 120.266 120.200 0.166 0.000 2.862 858 E HA 0.191 4.547 4.350 0.009 0.000 0.204 858 E C -0.155 176.541 176.600 0.160 0.000 0.966 858 E CA -0.310 56.186 56.400 0.161 0.000 1.257 858 E CB 0.736 30.556 29.700 0.199 0.000 1.053 858 E HN 0.407 nan 8.360 nan 0.000 0.487 859 S N 0.804 116.612 115.700 0.181 0.000 3.749 859 S HA -0.178 4.298 4.470 0.009 0.000 0.348 859 S C -0.071 174.767 174.600 0.398 0.000 1.045 859 S CA 0.629 58.970 58.200 0.235 0.000 1.051 859 S CB -1.329 61.954 63.200 0.138 0.000 0.898 859 S HN 0.347 nan 8.310 nan 0.000 0.472 860 L N 0.960 122.417 121.223 0.391 0.000 2.362 860 L HA 0.706 5.052 4.340 0.009 0.000 0.271 860 L C -0.447 176.381 176.870 -0.070 0.000 1.002 860 L CA -0.661 54.248 54.840 0.114 0.000 0.818 860 L CB 1.834 43.856 42.059 -0.061 0.000 1.298 860 L HN 0.077 nan 8.230 nan 0.000 0.420 861 D N 2.941 123.118 120.400 -0.372 0.000 2.358 861 D HA 0.204 4.850 4.640 0.009 0.000 0.253 861 D C -0.072 176.099 176.300 -0.214 0.000 1.288 861 D CA -0.354 53.356 54.000 -0.484 0.000 0.950 861 D CB 1.404 41.562 40.800 -1.070 0.000 1.197 861 D HN 0.244 nan 8.370 nan 0.000 0.550 862 L N 2.612 123.701 121.223 -0.224 0.000 2.645 862 L HA 0.131 4.476 4.340 0.009 0.000 0.234 862 L C 0.685 177.512 176.870 -0.072 0.000 1.165 862 L CA 0.094 54.788 54.840 -0.243 0.000 0.944 862 L CB -1.259 40.421 42.059 -0.632 0.000 1.149 862 L HN 0.620 nan 8.230 nan 0.000 0.446 863 C N 0.209 119.482 119.300 -0.045 0.000 4.056 863 C HA -0.213 4.252 4.460 0.009 0.000 0.298 863 C C 1.561 176.598 174.990 0.079 0.000 1.456 863 C CA -0.218 58.802 59.018 0.003 0.000 2.037 863 C CB -3.194 24.555 27.740 0.015 0.000 1.295 863 C HN 0.354 nan 8.230 nan 0.000 0.733 864 L N -0.426 120.819 121.223 0.037 0.000 2.461 864 L HA 0.315 4.661 4.340 0.009 0.000 0.259 864 L C 0.493 177.457 176.870 0.158 0.000 1.248 864 L CA -0.015 54.846 54.840 0.035 0.000 0.823 864 L CB 0.105 42.064 42.059 -0.167 0.000 1.111 864 L HN 0.239 nan 8.230 nan 0.000 0.516 865 L N 2.738 124.138 121.223 0.294 0.000 2.489 865 L HA 0.421 4.767 4.340 0.009 0.000 0.257 865 L C -2.496 174.458 176.870 0.140 0.000 1.215 865 L CA -1.714 53.200 54.840 0.123 0.000 0.915 865 L CB 0.723 42.739 42.059 -0.071 0.000 1.146 865 L HN 0.182 nan 8.230 nan 0.000 0.494 866 P HA 0.277 nan 4.420 nan 0.000 0.266 866 P C -0.932 176.261 177.300 -0.179 0.000 1.586 866 P CA -0.075 62.963 63.100 -0.104 0.000 1.088 866 P CB -0.391 31.232 31.700 -0.128 0.000 1.584 867 Y N 0.545 120.829 120.300 -0.027 0.000 2.385 867 Y HA 0.486 5.042 4.550 0.010 0.000 0.346 867 Y C 1.170 176.990 175.900 -0.133 0.000 1.270 867 Y CA -1.187 56.852 58.100 -0.102 0.000 1.472 867 Y CB -0.381 37.998 38.460 -0.135 0.000 1.354 867 Y HN 0.327 nan 8.280 nan 0.000 0.611 868 G N -0.165 108.547 108.800 -0.147 0.000 2.414 868 G HA2 0.288 4.253 3.960 0.009 0.000 0.236 868 G HA3 0.288 4.253 3.960 0.009 0.000 0.236 868 G C -1.113 173.572 174.900 -0.358 0.000 1.293 868 G CA 0.082 44.963 45.100 -0.364 0.000 0.869 868 G HN 1.139 nan 8.290 nan 0.000 0.556 869 C N 2.845 122.054 119.300 -0.152 0.000 3.094 869 C HA 0.597 5.062 4.460 0.009 0.000 0.414 869 C C -1.009 174.004 174.990 0.038 0.000 0.993 869 C CA -0.944 58.033 59.018 -0.068 0.000 1.217 869 C CB -0.300 27.411 27.740 -0.048 0.000 1.603 869 C HN 0.692 nan 8.230 nan 0.000 0.564 870 I N 5.176 125.761 120.570 0.024 0.000 2.534 870 I HA 0.290 4.466 4.170 0.009 0.000 0.286 870 I C 0.120 176.241 176.117 0.006 0.000 1.094 870 I CA -0.058 61.273 61.300 0.052 0.000 1.055 870 I CB 2.044 40.034 38.000 -0.016 0.000 1.225 870 I HN 0.695 nan 8.210 nan 0.000 0.435 871 S N 3.288 119.013 115.700 0.042 0.000 2.465 871 S HA 0.148 4.623 4.470 0.009 0.000 0.280 871 S C 1.150 175.802 174.600 0.086 0.000 1.232 871 S CA 0.120 58.342 58.200 0.038 0.000 1.066 871 S CB 0.443 63.654 63.200 0.019 0.000 0.929 871 S HN 0.785 nan 8.310 nan 0.000 0.494 872 T N 2.125 116.737 114.554 0.096 0.000 3.022 872 T HA 0.512 4.867 4.350 0.009 0.000 0.250 872 T C 0.908 175.709 174.700 0.169 0.000 1.060 872 T CA 0.238 62.447 62.100 0.181 0.000 1.013 872 T CB 0.146 69.137 68.868 0.204 0.000 0.982 872 T HN 0.870 nan 8.240 nan 0.000 0.508 873 G N 0.621 109.499 108.800 0.131 0.000 2.570 873 G HA2 0.428 4.393 3.960 0.009 0.000 0.310 873 G HA3 0.428 4.393 3.960 0.009 0.000 0.310 873 G C -2.066 172.897 174.900 0.104 0.000 1.266 873 G CA -0.700 44.472 45.100 0.120 0.000 0.825 873 G HN 0.138 nan 8.290 nan 0.000 0.483 874 D N 0.226 120.692 120.400 0.111 0.000 2.401 874 D HA 0.274 4.920 4.640 0.009 0.000 0.254 874 D C 0.749 177.116 176.300 0.111 0.000 1.192 874 D CA 0.281 54.342 54.000 0.101 0.000 0.885 874 D CB 0.336 41.201 40.800 0.109 0.000 1.147 874 D HN 0.542 nan 8.370 nan 0.000 0.478 875 K N 1.045 121.471 120.400 0.043 0.000 2.960 875 K HA -0.254 4.072 4.320 0.009 0.000 0.259 875 K C -0.320 176.274 176.600 -0.010 0.000 1.025 875 K CA 0.528 56.791 56.287 -0.040 0.000 0.756 875 K CB -1.313 31.090 32.500 -0.163 0.000 1.221 875 K HN 0.535 nan 8.250 nan 0.000 0.483 876 I N -1.680 118.951 120.570 0.102 0.000 2.894 876 I HA 0.713 4.889 4.170 0.009 0.000 0.302 876 I C -0.081 176.107 176.117 0.118 0.000 1.188 876 I CA 0.271 61.674 61.300 0.172 0.000 1.014 876 I CB 2.322 40.487 38.000 0.275 0.000 1.242 876 I HN 0.116 nan 8.210 nan 0.000 0.430 877 G N 5.726 114.578 108.800 0.087 0.000 2.324 877 G HA2 0.413 4.379 3.960 0.009 0.000 0.293 877 G HA3 0.413 4.379 3.960 0.009 0.000 0.293 877 G C -1.603 173.115 174.900 -0.304 0.000 1.297 877 G CA -0.448 44.620 45.100 -0.053 0.000 0.853 877 G HN 0.840 nan 8.290 nan 0.000 0.535 878 M N -0.949 118.389 119.600 -0.437 0.000 2.705 878 M HA 0.926 5.412 4.480 0.009 0.000 0.311 878 M C -0.922 175.245 176.300 -0.222 0.000 1.214 878 M CA -0.949 54.025 55.300 -0.543 0.000 0.920 878 M CB 2.278 34.461 32.600 -0.696 0.000 1.687 878 M HN 0.408 nan 8.290 nan 0.000 0.481 879 I N 0.385 120.847 120.570 -0.181 0.000 2.656 879 I HA 0.267 4.442 4.170 0.009 0.000 0.292 879 I C -0.653 175.309 176.117 -0.258 0.000 1.144 879 I CA -0.596 60.608 61.300 -0.160 0.000 1.038 879 I CB 2.438 40.408 38.000 -0.050 0.000 1.244 879 I HN 0.844 nan 8.210 nan 0.000 0.420 880 E N 6.354 126.255 120.200 -0.498 0.000 2.376 880 E HA 0.205 4.561 4.350 0.009 0.000 0.266 880 E C -0.863 175.605 176.600 -0.219 0.000 1.009 880 E CA -0.236 55.901 56.400 -0.438 0.000 0.902 880 E CB 0.838 30.221 29.700 -0.529 0.000 0.972 880 E HN 0.443 nan 8.360 nan 0.000 0.439 881 I N 5.593 126.058 120.570 -0.175 0.000 2.308 881 I HA 0.051 4.227 4.170 0.009 0.000 0.293 881 I C -0.228 175.822 176.117 -0.112 0.000 1.078 881 I CA -0.632 60.529 61.300 -0.232 0.000 1.292 881 I CB 1.057 38.798 38.000 -0.431 0.000 1.423 881 I HN 0.327 nan 8.210 nan 0.000 0.493 882 V N 7.388 127.260 119.914 -0.071 0.000 2.485 882 V HA 0.005 4.130 4.120 0.009 0.000 0.287 882 V C 0.628 176.770 176.094 0.081 0.000 1.022 882 V CA -0.161 62.137 62.300 -0.003 0.000 1.067 882 V CB 0.477 32.280 31.823 -0.033 0.000 0.967 882 V HN 0.551 nan 8.190 nan 0.000 0.479 883 K N 3.517 123.968 120.400 0.085 0.000 2.382 883 K HA 0.163 4.488 4.320 0.009 0.000 0.275 883 K C 0.368 177.067 176.600 0.165 0.000 1.009 883 K CA 0.248 56.611 56.287 0.127 0.000 0.970 883 K CB -0.031 32.533 32.500 0.107 0.000 0.934 883 K HN 0.708 nan 8.250 nan 0.000 0.479 884 D N 0.081 120.599 120.400 0.196 0.000 2.705 884 D HA -0.208 4.437 4.640 0.009 0.000 0.240 884 D C -1.099 175.375 176.300 0.289 0.000 1.137 884 D CA 1.294 55.427 54.000 0.223 0.000 0.677 884 D CB -0.839 40.066 40.800 0.175 0.000 1.049 884 D HN 0.525 nan 8.370 nan 0.000 0.427 885 A N -0.198 122.794 122.820 0.287 0.000 2.454 885 A HA 0.836 5.161 4.320 0.009 0.000 0.302 885 A C 0.056 177.737 177.584 0.162 0.000 1.079 885 A CA -0.374 51.828 52.037 0.276 0.000 0.731 885 A CB 2.058 21.272 19.000 0.357 0.000 1.299 885 A HN 0.010 nan 8.150 nan 0.000 0.413 886 T N 0.645 115.192 114.554 -0.011 0.000 2.903 886 T HA 0.539 4.894 4.350 0.009 0.000 0.299 886 T C -0.138 174.381 174.700 -0.302 0.000 1.093 886 T CA -0.380 61.617 62.100 -0.171 0.000 1.002 886 T CB 1.612 70.299 68.868 -0.302 0.000 1.127 886 T HN 0.613 nan 8.240 nan 0.000 0.488 887 T N 2.518 116.914 114.554 -0.263 0.000 2.919 887 T HA 0.152 4.508 4.350 0.009 0.000 0.302 887 T C 1.581 176.096 174.700 -0.309 0.000 1.031 887 T CA -0.510 61.418 62.100 -0.286 0.000 1.127 887 T CB 0.167 68.900 68.868 -0.226 0.000 0.952 887 T HN 0.372 nan 8.240 nan 0.000 0.540 888 I N 2.190 122.592 120.570 -0.279 0.000 2.493 888 I HA -0.101 4.074 4.170 0.009 0.000 0.254 888 I C 2.499 178.511 176.117 -0.176 0.000 1.160 888 I CA 0.997 62.174 61.300 -0.205 0.000 1.445 888 I CB -1.566 36.401 38.000 -0.056 0.000 1.086 888 I HN 0.737 nan 8.210 nan 0.000 0.433 889 A N 0.592 123.295 122.820 -0.196 0.000 1.873 889 A HA -0.212 4.114 4.320 0.009 0.000 0.215 889 A C 2.388 179.912 177.584 -0.099 0.000 1.186 889 A CA 1.440 53.399 52.037 -0.131 0.000 0.616 889 A CB -0.462 18.435 19.000 -0.172 0.000 0.823 889 A HN 0.245 nan 8.150 nan 0.000 0.442 890 K N -0.454 119.858 120.400 -0.146 0.000 2.152 890 K HA -0.088 4.237 4.320 0.009 0.000 0.206 890 K C 1.661 178.174 176.600 -0.145 0.000 1.048 890 K CA 1.247 57.455 56.287 -0.131 0.000 0.933 890 K CB -0.184 32.230 32.500 -0.143 0.000 0.721 890 K HN 0.416 nan 8.250 nan 0.000 0.447 891 I N 1.088 121.520 120.570 -0.229 0.000 2.315 891 I HA -0.235 3.941 4.170 0.009 0.000 0.248 891 I C 2.160 178.220 176.117 -0.095 0.000 1.117 891 I CA 1.403 62.546 61.300 -0.262 0.000 1.404 891 I CB -1.015 36.726 38.000 -0.431 0.000 1.071 891 I HN 0.283 nan 8.210 nan 0.000 0.419 892 Q N 0.548 120.317 119.800 -0.053 0.000 2.049 892 Q HA -0.167 4.179 4.340 0.009 0.000 0.198 892 Q C 2.201 178.216 176.000 0.025 0.000 0.971 892 Q CA 1.263 57.079 55.803 0.022 0.000 0.833 892 Q CB -0.301 28.502 28.738 0.107 0.000 0.896 892 Q HN 0.595 nan 8.270 nan 0.000 0.434 893 Q N -0.033 119.774 119.800 0.011 0.000 2.181 893 Q HA -0.090 4.256 4.340 0.009 0.000 0.205 893 Q C 2.073 178.066 176.000 -0.011 0.000 0.980 893 Q CA 1.352 57.152 55.803 -0.005 0.000 0.862 893 Q CB -0.010 28.714 28.738 -0.024 0.000 0.905 893 Q HN 0.189 nan 8.270 nan 0.000 0.429 894 S N -0.435 115.260 115.700 -0.008 0.000 2.474 894 S HA -0.069 4.407 4.470 0.009 0.000 0.235 894 S C 1.634 176.251 174.600 0.029 0.000 0.997 894 S CA 1.187 59.395 58.200 0.014 0.000 0.949 894 S CB 0.044 63.266 63.200 0.037 0.000 0.766 894 S HN 0.387 nan 8.310 nan 0.000 0.517 895 T N 0.931 115.501 114.554 0.026 0.000 3.111 895 T HA 0.224 4.579 4.350 0.009 0.000 0.236 895 T C 1.001 175.704 174.700 0.004 0.000 0.984 895 T CA 0.251 62.369 62.100 0.031 0.000 1.195 895 T CB 0.088 68.984 68.868 0.047 0.000 0.929 895 T HN 0.075 nan 8.240 nan 0.000 0.431 896 V N 0.962 120.869 119.914 -0.011 0.000 3.610 896 V HA 0.613 4.738 4.120 0.009 0.000 0.285 896 V C 1.571 177.640 176.094 -0.042 0.000 1.012 896 V CA -0.827 61.450 62.300 -0.038 0.000 0.975 896 V CB -0.122 31.661 31.823 -0.067 0.000 1.247 896 V HN 0.520 nan 8.190 nan 0.000 0.424 897 G N 0.600 109.362 108.800 -0.063 0.000 2.785 897 G HA2 -0.018 3.947 3.960 0.009 0.000 0.256 897 G HA3 -0.018 3.947 3.960 0.009 0.000 0.256 897 G C 0.730 175.601 174.900 -0.048 0.000 1.248 897 G CA 0.166 45.231 45.100 -0.057 0.000 0.914 897 G HN 0.793 nan 8.290 nan 0.000 0.580 898 N N -0.376 118.298 118.700 -0.044 0.000 2.048 898 N HA -0.110 4.636 4.740 0.009 0.000 0.193 898 N C 1.916 177.407 175.510 -0.031 0.000 1.061 898 N CA 1.946 54.971 53.050 -0.042 0.000 0.849 898 N CB -0.948 37.511 38.487 -0.046 0.000 1.044 898 N HN 0.416 nan 8.380 nan 0.000 0.429 899 T N 0.614 115.157 114.554 -0.019 0.000 3.129 899 T HA 0.182 4.538 4.350 0.009 0.000 0.251 899 T C 1.199 175.886 174.700 -0.023 0.000 1.117 899 T CA 0.054 62.169 62.100 0.026 0.000 1.034 899 T CB -0.483 68.421 68.868 0.060 0.000 0.968 899 T HN 0.390 nan 8.240 nan 0.000 0.526 903 K N 2.314 122.591 120.400 -0.205 0.000 2.207 903 K HA 0.321 4.646 4.320 0.009 0.000 0.255 903 K C -0.522 176.023 176.600 -0.092 0.000 0.941 903 K CA -0.921 55.273 56.287 -0.155 0.000 0.825 903 K CB 2.015 34.442 32.500 -0.121 0.000 1.119 903 K HN 0.445 nan 8.250 nan 0.000 0.430 904 D N 1.875 122.234 120.400 -0.069 0.000 2.224 904 D HA -0.102 4.543 4.640 0.009 0.000 0.205 904 D C 0.581 176.564 176.300 -0.528 0.000 0.965 904 D CA 1.364 55.322 54.000 -0.071 0.000 0.852 904 D CB 0.323 41.096 40.800 -0.046 0.000 0.947 904 D HN 0.546 nan 8.370 nan 0.000 0.494 905 E N -0.333 119.393 120.200 -0.790 0.000 2.481 905 E HA 0.059 4.414 4.350 0.009 0.000 0.198 905 E C 1.981 178.149 176.600 -0.720 0.000 1.027 905 E CA -0.099 55.627 56.400 -1.123 0.000 0.900 905 E CB 0.341 29.270 29.700 -1.286 0.000 0.993 905 E HN -0.018 nan 8.360 nan 0.000 0.482 906 V N 1.266 120.951 119.914 -0.382 0.000 2.250 906 V HA -0.352 3.773 4.120 0.009 0.000 0.250 906 V C 2.231 178.329 176.094 0.007 0.000 1.060 906 V CA 1.889 64.101 62.300 -0.147 0.000 1.030 906 V CB -0.592 31.209 31.823 -0.038 0.000 0.643 906 V HN 0.365 nan 8.190 nan 0.000 0.445 907 L N 0.080 121.322 121.223 0.031 0.000 1.989 907 L HA -0.261 4.084 4.340 0.009 0.000 0.211 907 L C 2.639 179.631 176.870 0.203 0.000 1.071 907 L CA 2.312 57.219 54.840 0.112 0.000 0.749 907 L CB -0.613 41.476 42.059 0.050 0.000 0.890 907 L HN 0.523 nan 8.230 nan 0.000 0.431 908 N N -0.949 117.858 118.700 0.178 0.000 2.149 908 N HA -0.240 4.505 4.740 0.009 0.000 0.188 908 N C 1.733 177.473 175.510 0.383 0.000 1.019 908 N CA 1.449 54.686 53.050 0.311 0.000 0.857 908 N CB -0.106 38.646 38.487 0.443 0.000 0.997 908 N HN 0.543 nan 8.380 nan 0.000 0.426 909 H N -1.732 117.464 119.070 0.210 0.000 2.319 909 H HA -0.187 4.375 4.556 0.009 0.000 0.299 909 H C 1.768 177.180 175.328 0.139 0.000 1.092 909 H CA 1.478 57.604 56.048 0.131 0.000 1.302 909 H CB -0.228 29.596 29.762 0.104 0.000 1.373 909 H HN 0.396 nan 8.280 nan 0.000 0.497 910 W N 1.712 123.121 121.300 0.183 0.000 2.335 910 W HA -0.210 4.456 4.660 0.009 0.000 0.311 910 W C 2.043 178.636 176.519 0.122 0.000 1.213 910 W CA 1.417 58.830 57.345 0.114 0.000 1.274 910 W CB -0.524 28.983 29.460 0.078 0.000 1.148 910 W HN 0.072 nan 8.180 nan 0.000 0.498 911 L N 0.503 121.885 121.223 0.265 0.000 2.056 911 L HA -0.217 4.129 4.340 0.009 0.000 0.207 911 L C 2.552 179.541 176.870 0.198 0.000 1.078 911 L CA 1.621 56.566 54.840 0.174 0.000 0.749 911 L CB -0.915 41.357 42.059 0.354 0.000 0.901 911 L HN -0.096 nan 8.230 nan 0.000 0.433 912 K N 1.051 121.546 120.400 0.159 0.000 2.057 912 K HA -0.229 4.097 4.320 0.009 0.000 0.207 912 K C 1.917 178.387 176.600 -0.217 0.000 1.049 912 K CA 1.925 58.015 56.287 -0.328 0.000 0.931 912 K CB -0.281 31.803 32.500 -0.693 0.000 0.714 912 K HN 0.499 nan 8.250 nan 0.000 0.440 913 E N -0.370 119.717 120.200 -0.188 0.000 2.268 913 E HA -0.165 4.191 4.350 0.009 0.000 0.195 913 E C 0.955 177.409 176.600 -0.244 0.000 0.995 913 E CA 0.903 57.185 56.400 -0.196 0.000 0.836 913 E CB 0.023 29.625 29.700 -0.164 0.000 0.763 913 E HN 0.044 nan 8.360 nan 0.000 0.491 914 K N 0.708 120.898 120.400 -0.350 0.000 2.404 914 K HA 0.186 4.511 4.320 0.009 0.000 0.194 914 K C 0.069 176.561 176.600 -0.181 0.000 1.023 914 K CA 0.061 56.119 56.287 -0.380 0.000 1.094 914 K CB 0.834 32.864 32.500 -0.783 0.000 0.841 914 K HN -0.057 nan 8.250 nan 0.000 0.523 915 S N 2.653 118.300 115.700 -0.088 0.000 2.411 915 S HA 0.183 4.658 4.470 0.009 0.000 0.294 915 S C -1.750 172.844 174.600 -0.010 0.000 1.115 915 S CA -1.119 57.088 58.200 0.012 0.000 1.071 915 S CB 1.479 64.779 63.200 0.168 0.000 0.967 915 S HN -0.019 nan 8.310 nan 0.000 0.488 916 P HA -0.082 nan 4.420 nan 0.000 0.216 916 P C 0.825 178.125 177.300 -0.000 0.000 1.150 916 P CA 1.170 64.265 63.100 -0.009 0.000 0.843 916 P CB 0.132 31.832 31.700 -0.000 0.000 0.787 917 T N -5.844 108.724 114.554 0.023 0.000 2.716 917 T HA 0.341 4.696 4.350 0.009 0.000 0.286 917 T C 0.687 175.425 174.700 0.064 0.000 1.052 917 T CA -0.705 61.412 62.100 0.028 0.000 1.024 917 T CB 1.349 70.234 68.868 0.029 0.000 1.349 917 T HN -0.307 nan 8.240 nan 0.000 0.525 918 E N -0.026 120.213 120.200 0.066 0.000 2.318 918 E HA -0.004 4.352 4.350 0.009 0.000 0.193 918 E C 1.746 178.435 176.600 0.148 0.000 0.998 918 E CA 0.533 57.004 56.400 0.119 0.000 0.859 918 E CB 0.075 29.823 29.700 0.079 0.000 0.812 918 E HN 0.840 nan 8.360 nan 0.000 0.492 919 E N 1.343 121.598 120.200 0.092 0.000 2.047 919 E HA -0.170 4.185 4.350 0.009 0.000 0.191 919 E C 1.628 178.270 176.600 0.069 0.000 0.987 919 E CA 0.976 57.418 56.400 0.071 0.000 0.799 919 E CB 0.129 29.855 29.700 0.044 0.000 0.752 919 E HN 0.042 nan 8.360 nan 0.000 0.449 920 K N -0.280 120.164 120.400 0.072 0.000 2.211 920 K HA -0.126 4.199 4.320 0.009 0.000 0.203 920 K C 2.000 178.651 176.600 0.083 0.000 1.050 920 K CA 1.102 57.425 56.287 0.059 0.000 0.945 920 K CB -0.248 32.282 32.500 0.051 0.000 0.732 920 K HN 0.169 nan 8.250 nan 0.000 0.451 921 F N 2.119 122.070 119.950 0.001 0.000 2.206 921 F HA -0.135 4.398 4.527 0.009 0.000 0.298 921 F C 2.149 177.962 175.800 0.023 0.000 1.090 921 F CA 1.259 59.262 58.000 0.004 0.000 1.323 921 F CB 0.099 39.100 39.000 0.001 0.000 1.028 921 F HN -0.061 nan 8.300 nan 0.000 0.492 922 Q N 0.490 120.256 119.800 -0.057 0.000 2.172 922 Q HA -0.001 4.345 4.340 0.009 0.000 0.200 922 Q C 2.503 178.426 176.000 -0.129 0.000 0.964 922 Q CA 1.269 56.996 55.803 -0.127 0.000 0.855 922 Q CB -0.916 27.847 28.738 0.041 0.000 0.918 922 Q HN 0.519 nan 8.270 nan 0.000 0.444 923 A N 0.912 123.689 122.820 -0.071 0.000 1.933 923 A HA -0.063 4.262 4.320 0.009 0.000 0.218 923 A C 2.262 179.797 177.584 -0.082 0.000 1.175 923 A CA 1.788 53.790 52.037 -0.058 0.000 0.628 923 A CB -0.553 18.429 19.000 -0.030 0.000 0.814 923 A HN 0.338 nan 8.150 nan 0.000 0.444 924 A N -0.715 122.038 122.820 -0.112 0.000 2.015 924 A HA 0.095 4.421 4.320 0.009 0.000 0.219 924 A C 2.115 179.633 177.584 -0.110 0.000 1.163 924 A CA 1.560 53.546 52.037 -0.086 0.000 0.646 924 A CB -0.605 18.357 19.000 -0.064 0.000 0.806 924 A HN 0.362 nan 8.150 nan 0.000 0.448 925 V N -0.120 119.624 119.914 -0.283 0.000 2.548 925 V HA -0.193 3.933 4.120 0.009 0.000 0.249 925 V C 2.428 178.461 176.094 -0.103 0.000 1.055 925 V CA 2.125 64.269 62.300 -0.259 0.000 1.065 925 V CB -0.507 31.042 31.823 -0.457 0.000 0.681 925 V HN 0.797 nan 8.190 nan 0.000 0.462 926 E N 1.017 121.165 120.200 -0.086 0.000 2.007 926 E HA -0.259 4.096 4.350 0.009 0.000 0.194 926 E C 2.410 179.056 176.600 0.077 0.000 0.999 926 E CA 1.688 58.094 56.400 0.010 0.000 0.811 926 E CB -0.324 29.362 29.700 -0.023 0.000 0.762 926 E HN 0.382 nan 8.360 nan 0.000 0.450 927 R N -0.818 119.687 120.500 0.009 0.000 2.119 927 R HA -0.212 4.133 4.340 0.009 0.000 0.246 927 R C 2.332 178.695 176.300 0.105 0.000 1.146 927 R CA 1.791 57.907 56.100 0.027 0.000 0.962 927 R CB -0.574 29.738 30.300 0.019 0.000 0.863 927 R HN 0.348 nan 8.270 nan 0.000 0.442 928 F N 0.539 120.487 119.950 -0.004 0.000 2.095 928 F HA -0.210 4.323 4.527 0.010 0.000 0.298 928 F C 1.904 177.717 175.800 0.021 0.000 1.104 928 F CA 1.552 59.541 58.000 -0.018 0.000 1.232 928 F CB -0.361 38.587 39.000 -0.086 0.000 0.987 928 F HN -0.192 nan 8.300 nan 0.000 0.475 929 V N -0.510 119.412 119.914 0.012 0.000 2.407 929 V HA -0.317 3.808 4.120 0.009 0.000 0.248 929 V C 2.071 178.155 176.094 -0.016 0.000 1.055 929 V CA 2.012 64.311 62.300 -0.002 0.000 1.049 929 V CB -1.079 30.812 31.823 0.114 0.000 0.662 929 V HN 0.361 nan 8.190 nan 0.000 0.455 930 Y N 1.400 121.635 120.300 -0.109 0.000 2.130 930 Y HA -0.212 4.344 4.550 0.009 0.000 0.287 930 Y C 3.010 178.818 175.900 -0.153 0.000 1.124 930 Y CA 1.760 59.774 58.100 -0.142 0.000 1.118 930 Y CB -1.000 37.374 38.460 -0.144 0.000 0.994 930 Y HN 0.375 nan 8.280 nan 0.000 0.497 931 S N -1.281 114.453 115.700 0.056 0.000 2.383 931 S HA -0.279 4.197 4.470 0.009 0.000 0.229 931 S C 2.226 176.855 174.600 0.048 0.000 1.030 931 S CA 1.240 59.490 58.200 0.083 0.000 1.002 931 S CB -1.462 61.822 63.200 0.140 0.000 0.829 931 S HN 0.607 nan 8.310 nan 0.000 0.467 932 C N 1.934 121.100 119.300 -0.223 0.000 2.429 932 C HA 0.223 4.688 4.460 0.009 0.000 0.277 932 C C 3.105 178.141 174.990 0.078 0.000 1.262 932 C CA 0.860 59.738 59.018 -0.234 0.000 1.733 932 C CB -1.761 25.556 27.740 -0.705 0.000 2.010 932 C HN 0.710 nan 8.230 nan 0.000 0.483 933 A N 0.458 123.294 122.820 0.027 0.000 1.897 933 A HA 0.189 4.514 4.320 0.009 0.000 0.215 933 A C 2.403 179.852 177.584 -0.225 0.000 1.181 933 A CA 1.926 53.869 52.037 -0.157 0.000 0.620 933 A CB -1.484 17.230 19.000 -0.477 0.000 0.821 933 A HN 0.675 nan 8.150 nan 0.000 0.443 934 G N -0.904 107.757 108.800 -0.231 0.000 2.639 934 G HA2 -0.292 3.673 3.960 0.009 0.000 0.216 934 G HA3 -0.292 3.673 3.960 0.009 0.000 0.216 934 G C 1.409 176.250 174.900 -0.099 0.000 1.267 934 G CA 1.351 46.285 45.100 -0.276 0.000 0.801 934 G HN 0.516 nan 8.290 nan 0.000 0.592 935 Y N 0.147 120.451 120.300 0.006 0.000 2.181 935 Y HA -0.217 4.339 4.550 0.009 0.000 0.284 935 Y C 3.210 179.108 175.900 -0.003 0.000 1.179 935 Y CA 1.124 59.216 58.100 -0.014 0.000 1.179 935 Y CB -0.623 37.798 38.460 -0.065 0.000 0.973 935 Y HN 0.235 nan 8.280 nan 0.000 0.519 936 C N -1.337 118.033 119.300 0.116 0.000 2.432 936 C HA -0.100 4.365 4.460 0.009 0.000 0.280 936 C C 2.662 177.585 174.990 -0.112 0.000 1.353 936 C CA 0.794 59.765 59.018 -0.079 0.000 1.766 936 C CB -1.049 26.500 27.740 -0.319 0.000 1.924 936 C HN 0.375 nan 8.230 nan 0.000 0.509 937 V N 0.746 120.674 119.914 0.023 0.000 2.331 937 V HA -0.037 4.089 4.120 0.009 0.000 0.242 937 V C 2.668 178.947 176.094 0.309 0.000 1.034 937 V CA 1.872 64.285 62.300 0.190 0.000 1.027 937 V CB -1.287 30.540 31.823 0.007 0.000 0.667 937 V HN 0.506 nan 8.190 nan 0.000 0.457 938 A N -0.380 122.579 122.820 0.231 0.000 1.865 938 A HA -0.292 4.034 4.320 0.009 0.000 0.217 938 A C 2.434 180.111 177.584 0.156 0.000 1.191 938 A CA 2.798 54.918 52.037 0.138 0.000 0.623 938 A CB -1.193 17.813 19.000 0.009 0.000 0.826 938 A HN 0.433 nan 8.150 nan 0.000 0.444 939 T N -1.646 113.021 114.554 0.189 0.000 2.759 939 T HA -0.144 4.211 4.350 0.009 0.000 0.269 939 T C 1.544 176.450 174.700 0.343 0.000 1.042 939 T CA 1.736 63.986 62.100 0.251 0.000 1.140 939 T CB -0.404 68.628 68.868 0.274 0.000 0.864 939 T HN 0.450 nan 8.240 nan 0.000 0.455 940 F N 1.162 121.285 119.950 0.289 0.000 2.113 940 F HA -0.015 4.518 4.527 0.009 0.000 0.297 940 F C 2.189 178.233 175.800 0.405 0.000 1.103 940 F CA 0.861 59.097 58.000 0.394 0.000 1.248 940 F CB -0.692 38.568 39.000 0.433 0.000 0.999 940 F HN -0.052 nan 8.300 nan 0.000 0.475 941 V N 0.947 121.019 119.914 0.264 0.000 2.287 941 V HA -0.299 3.826 4.120 0.009 0.000 0.248 941 V C 2.296 178.379 176.094 -0.018 0.000 1.053 941 V CA 1.965 64.322 62.300 0.095 0.000 1.027 941 V CB -0.745 31.156 31.823 0.130 0.000 0.646 941 V HN 0.338 nan 8.190 nan 0.000 0.447 942 L N 0.632 121.864 121.223 0.015 0.000 2.650 942 L HA 0.227 4.572 4.340 0.009 0.000 0.235 942 L C 1.478 178.343 176.870 -0.009 0.000 1.149 942 L CA 0.567 55.405 54.840 -0.003 0.000 0.887 942 L CB -0.958 41.145 42.059 0.073 0.000 1.021 942 L HN 0.574 nan 8.230 nan 0.000 0.441 943 G N 2.194 110.934 108.800 -0.100 0.000 2.393 943 G HA2 -0.284 3.681 3.960 0.009 0.000 0.299 943 G HA3 -0.284 3.681 3.960 0.009 0.000 0.299 943 G C 0.423 175.256 174.900 -0.112 0.000 0.990 943 G CA 0.790 45.635 45.100 -0.425 0.000 1.118 943 G HN 0.695 nan 8.290 nan 0.000 0.513 944 I N -3.845 116.786 120.570 0.101 0.000 3.064 944 I HA 0.491 4.667 4.170 0.009 0.000 0.323 944 I C 1.139 177.432 176.117 0.293 0.000 1.501 944 I CA -0.160 61.254 61.300 0.190 0.000 0.890 944 I CB 0.163 38.307 38.000 0.239 0.000 1.602 944 I HN 0.060 nan 8.210 nan 0.000 0.586 945 G N 0.341 109.336 108.800 0.325 0.000 2.492 945 G HA2 -0.102 3.864 3.960 0.009 0.000 0.214 945 G HA3 -0.102 3.864 3.960 0.009 0.000 0.214 945 G C 0.508 175.629 174.900 0.367 0.000 1.147 945 G CA 0.235 45.598 45.100 0.438 0.000 0.809 945 G HN 0.416 nan 8.290 nan 0.000 0.533 946 D N 1.503 122.082 120.400 0.298 0.000 2.482 946 D HA 0.093 4.739 4.640 0.009 0.000 0.244 946 D C 0.192 176.574 176.300 0.137 0.000 1.242 946 D CA 0.080 54.257 54.000 0.295 0.000 1.097 946 D CB -0.001 41.041 40.800 0.403 0.000 1.109 946 D HN 0.016 nan 8.370 nan 0.000 0.510 947 R N 1.723 122.219 120.500 -0.006 0.000 2.668 947 R HA 0.253 4.599 4.340 0.009 0.000 0.279 947 R C 0.052 176.043 176.300 -0.516 0.000 0.976 947 R CA -0.900 55.016 56.100 -0.307 0.000 0.978 947 R CB 1.017 31.175 30.300 -0.237 0.000 1.133 947 R HN 0.456 nan 8.270 nan 0.000 0.484 948 H N 1.110 119.686 119.070 -0.823 0.000 2.562 948 H HA 0.091 4.652 4.556 0.009 0.000 0.352 948 H C 0.968 176.076 175.328 -0.366 0.000 1.125 948 H CA 0.018 55.674 56.048 -0.653 0.000 1.379 948 H CB 0.745 30.132 29.762 -0.625 0.000 1.464 948 H HN 0.393 nan 8.280 nan 0.000 0.563 949 N N 2.182 120.442 118.700 -0.733 0.000 2.258 949 N HA -0.204 4.542 4.740 0.009 0.000 0.187 949 N C 0.831 175.940 175.510 -0.668 0.000 1.012 949 N CA 1.508 54.193 53.050 -0.608 0.000 0.870 949 N CB -0.152 38.108 38.487 -0.379 0.000 0.977 949 N HN 0.773 nan 8.380 nan 0.000 0.434 950 D N -0.881 118.906 120.400 -1.022 0.000 2.349 950 D HA 0.066 4.712 4.640 0.009 0.000 0.224 950 D C 0.127 176.198 176.300 -0.381 0.000 1.029 950 D CA 0.483 54.164 54.000 -0.531 0.000 0.879 950 D CB -0.225 40.373 40.800 -0.338 0.000 0.906 950 D HN 0.352 nan 8.370 nan 0.000 0.528 951 N N -0.899 117.539 118.700 -0.436 0.000 2.204 951 N HA 0.215 4.960 4.740 0.009 0.000 0.219 951 N C -0.910 174.329 175.510 -0.452 0.000 1.151 951 N CA -0.227 52.594 53.050 -0.381 0.000 0.867 951 N CB 1.063 39.337 38.487 -0.353 0.000 1.043 951 N HN 0.031 nan 8.380 nan 0.000 0.516 952 I N 1.165 121.457 120.570 -0.463 0.000 2.411 952 I HA 0.303 4.478 4.170 0.009 0.000 0.284 952 I C -0.318 175.525 176.117 -0.457 0.000 1.012 952 I CA -0.188 60.828 61.300 -0.472 0.000 1.119 952 I CB 1.291 39.067 38.000 -0.373 0.000 1.261 952 I HN -0.064 nan 8.210 nan 0.000 0.448 953 M N 5.709 124.886 119.600 -0.705 0.000 2.792 953 M HA 0.664 5.149 4.480 0.009 0.000 0.294 953 M C -0.783 175.141 176.300 -0.627 0.000 1.215 953 M CA -0.922 53.912 55.300 -0.776 0.000 0.883 953 M CB 2.453 34.399 32.600 -1.090 0.000 1.620 953 M HN 0.475 nan 8.290 nan 0.000 0.511 954 I N 0.096 120.458 120.570 -0.347 0.000 2.722 954 I HA 0.323 4.499 4.170 0.009 0.000 0.292 954 I C -0.553 175.680 176.117 0.193 0.000 1.267 954 I CA -0.333 60.963 61.300 -0.007 0.000 1.036 954 I CB 2.283 40.287 38.000 0.007 0.000 1.281 954 I HN 0.825 nan 8.210 nan 0.000 0.423 955 T N 1.704 116.476 114.554 0.364 0.000 2.882 955 T HA 0.306 4.661 4.350 0.009 0.000 0.287 955 T C 0.801 175.768 174.700 0.445 0.000 1.014 955 T CA -0.488 61.842 62.100 0.383 0.000 1.049 955 T CB 1.297 70.347 68.868 0.303 0.000 1.001 955 T HN 0.695 nan 8.240 nan 0.000 0.525 956 E N 0.050 120.493 120.200 0.405 0.000 2.268 956 E HA -0.116 4.239 4.350 0.009 0.000 0.195 956 E C 1.916 178.594 176.600 0.129 0.000 0.995 956 E CA 1.147 57.677 56.400 0.216 0.000 0.836 956 E CB -0.183 29.534 29.700 0.029 0.000 0.763 956 E HN 0.801 nan 8.360 nan 0.000 0.491 957 T N -1.164 113.482 114.554 0.152 0.000 3.160 957 T HA 0.086 4.442 4.350 0.009 0.000 0.257 957 T C 1.289 176.063 174.700 0.123 0.000 1.147 957 T CA 1.010 63.172 62.100 0.104 0.000 1.064 957 T CB -0.144 68.775 68.868 0.084 0.000 0.949 957 T HN 0.405 nan 8.240 nan 0.000 0.526 958 G N 1.168 110.089 108.800 0.200 0.000 2.176 958 G HA2 -0.212 3.753 3.960 0.009 0.000 0.232 958 G HA3 -0.212 3.753 3.960 0.009 0.000 0.232 958 G C 0.046 175.101 174.900 0.259 0.000 0.986 958 G CA -0.031 45.203 45.100 0.223 0.000 0.643 958 G HN 0.591 nan 8.290 nan 0.000 0.522 959 N N 0.895 119.735 118.700 0.234 0.000 2.405 959 N HA 0.390 5.136 4.740 0.009 0.000 0.260 959 N C 0.318 176.019 175.510 0.318 0.000 1.152 959 N CA -0.116 53.077 53.050 0.239 0.000 0.948 959 N CB 0.666 39.278 38.487 0.208 0.000 1.111 959 N HN 0.535 nan 8.380 nan 0.000 0.485 960 L N 4.663 126.017 121.223 0.218 0.000 2.395 960 L HA 0.512 4.858 4.340 0.009 0.000 0.269 960 L C -0.852 176.068 176.870 0.083 0.000 1.133 960 L CA -0.506 54.389 54.840 0.092 0.000 0.812 960 L CB 0.197 42.188 42.059 -0.114 0.000 1.125 960 L HN 0.532 nan 8.230 nan 0.000 0.452 961 F N 1.354 121.120 119.950 -0.306 0.000 2.651 961 F HA 0.396 4.928 4.527 0.009 0.000 0.327 961 F C -0.809 174.811 175.800 -0.300 0.000 1.133 961 F CA -0.940 56.658 58.000 -0.671 0.000 1.076 961 F CB 0.315 39.202 39.000 -0.188 0.000 1.315 961 F HN 0.480 nan 8.300 nan 0.000 0.499 962 H N 3.702 122.484 119.070 -0.481 0.000 2.703 962 H HA 0.746 5.307 4.556 0.009 0.000 0.377 962 H C 0.101 175.383 175.328 -0.077 0.000 1.392 962 H CA 0.187 56.116 56.048 -0.199 0.000 1.458 962 H CB 1.591 31.367 29.762 0.025 0.000 1.529 962 H HN 0.797 nan 8.280 nan 0.000 0.619 963 I N -3.119 117.277 120.570 -0.291 0.000 3.229 963 I HA 0.192 4.367 4.170 0.009 0.000 0.313 963 I C -1.360 174.388 176.117 -0.614 0.000 1.317 963 I CA -1.097 60.003 61.300 -0.333 0.000 0.940 963 I CB 2.476 40.365 38.000 -0.185 0.000 1.315 963 I HN 0.493 nan 8.210 nan 0.000 0.484 964 D N 2.165 122.365 120.400 -0.333 0.000 2.927 964 D HA -0.211 4.434 4.640 0.009 0.000 0.236 964 D C -0.315 175.839 176.300 -0.243 0.000 1.163 964 D CA 1.021 54.905 54.000 -0.193 0.000 0.801 964 D CB -1.134 39.585 40.800 -0.135 0.000 0.975 964 D HN 0.542 nan 8.370 nan 0.000 0.413 965 F N 0.066 120.069 119.950 0.089 0.000 2.740 965 F HA 0.238 4.770 4.527 0.010 0.000 0.294 965 F C 2.336 178.145 175.800 0.016 0.000 1.225 965 F CA 0.037 58.072 58.000 0.059 0.000 1.426 965 F CB -0.085 38.947 39.000 0.052 0.000 1.021 965 F HN 0.288 nan 8.300 nan 0.000 0.508 966 G N -0.262 108.609 108.800 0.118 0.000 2.703 966 G HA2 -0.260 3.706 3.960 0.009 0.000 0.222 966 G HA3 -0.260 3.706 3.960 0.009 0.000 0.222 966 G C 0.519 175.484 174.900 0.109 0.000 1.183 966 G CA 1.627 46.779 45.100 0.086 0.000 0.775 966 G HN 0.462 nan 8.290 nan 0.000 0.615 982 R N 0.359 120.869 120.500 0.017 0.000 2.950 982 R HA 0.797 5.142 4.340 0.009 0.000 0.253 982 R C -1.086 175.245 176.300 0.052 0.000 1.168 982 R CA -1.128 55.007 56.100 0.059 0.000 1.014 982 R CB 1.564 31.917 30.300 0.088 0.000 1.228 982 R HN 0.304 nan 8.270 nan 0.000 0.487 983 V N 2.355 122.318 119.914 0.081 0.000 2.891 983 V HA 0.265 4.391 4.120 0.009 0.000 0.304 983 V C -1.737 174.376 176.094 0.032 0.000 1.171 983 V CA -1.789 60.511 62.300 -0.001 0.000 0.943 983 V CB 2.631 34.442 31.823 -0.019 0.000 1.037 983 V HN 0.599 nan 8.190 nan 0.000 0.427 984 P HA -0.044 nan 4.420 nan 0.000 0.219 984 P C -0.075 177.434 177.300 0.349 0.000 1.146 984 P CA 1.553 64.728 63.100 0.125 0.000 0.808 984 P CB -0.057 31.517 31.700 -0.211 0.000 0.779 985 F N -5.237 114.834 119.950 0.202 0.000 2.900 985 F HA 0.407 4.939 4.527 0.009 0.000 0.321 985 F C -1.471 174.432 175.800 0.172 0.000 1.160 985 F CA -1.647 56.496 58.000 0.239 0.000 0.890 985 F CB 0.370 39.535 39.000 0.275 0.000 1.334 985 F HN -0.469 nan 8.300 nan 0.000 0.459 986 V N 2.467 122.670 119.914 0.483 0.000 2.353 986 V HA 0.476 4.602 4.120 0.009 0.000 0.264 986 V C -0.705 175.566 176.094 0.294 0.000 1.049 986 V CA -0.100 62.341 62.300 0.236 0.000 0.896 986 V CB 0.788 32.685 31.823 0.123 0.000 1.025 986 V HN 0.641 nan 8.190 nan 0.000 0.475 987 L N 6.763 128.038 121.223 0.086 0.000 2.475 987 L HA 0.429 4.775 4.340 0.009 0.000 0.253 987 L C 0.511 177.241 176.870 -0.235 0.000 1.483 987 L CA 0.101 55.005 54.840 0.107 0.000 0.869 987 L CB 1.210 43.474 42.059 0.342 0.000 1.086 987 L HN 0.735 nan 8.230 nan 0.000 0.514 988 T N -0.590 113.585 114.554 -0.630 0.000 2.874 988 T HA 0.447 4.802 4.350 0.009 0.000 0.281 988 T C -1.760 172.509 174.700 -0.717 0.000 0.994 988 T CA -1.572 60.013 62.100 -0.858 0.000 1.015 988 T CB 0.881 68.963 68.868 -1.310 0.000 1.028 988 T HN 0.158 nan 8.240 nan 0.000 0.523 989 P HA -0.249 nan 4.420 nan 0.000 0.219 989 P C 1.368 178.623 177.300 -0.075 0.000 1.158 989 P CA 1.716 64.574 63.100 -0.404 0.000 0.895 989 P CB -0.078 31.371 31.700 -0.419 0.000 0.792 990 D N -1.768 118.595 120.400 -0.063 0.000 2.178 990 D HA -0.175 4.471 4.640 0.009 0.000 0.202 990 D C 1.691 178.189 176.300 0.331 0.000 0.974 990 D CA 1.208 55.337 54.000 0.216 0.000 0.841 990 D CB -1.220 39.780 40.800 0.333 0.000 0.953 990 D HN 0.134 nan 8.370 nan 0.000 0.478 991 F N 0.890 120.854 119.950 0.023 0.000 2.206 991 F HA 0.150 4.682 4.527 0.009 0.000 0.298 991 F C 2.496 178.376 175.800 0.133 0.000 1.090 991 F CA -0.070 58.031 58.000 0.169 0.000 1.323 991 F CB -0.887 38.267 39.000 0.256 0.000 1.028 991 F HN -0.045 nan 8.300 nan 0.000 0.492 992 L N -1.556 119.807 121.223 0.233 0.000 2.017 992 L HA -0.254 4.091 4.340 0.009 0.000 0.208 992 L C 2.495 179.439 176.870 0.123 0.000 1.073 992 L CA 1.300 56.203 54.840 0.104 0.000 0.745 992 L CB -0.829 41.217 42.059 -0.021 0.000 0.894 992 L HN 0.030 nan 8.230 nan 0.000 0.432 993 F N 0.354 120.322 119.950 0.030 0.000 2.154 993 F HA -0.240 4.293 4.527 0.009 0.000 0.301 993 F C 2.251 178.073 175.800 0.036 0.000 1.087 993 F CA 1.546 59.566 58.000 0.032 0.000 1.274 993 F CB -0.167 38.855 39.000 0.037 0.000 1.009 993 F HN -0.240 nan 8.300 nan 0.000 0.485 994 V N 0.191 120.192 119.914 0.146 0.000 2.490 994 V HA -0.316 3.810 4.120 0.009 0.000 0.250 994 V C 2.192 178.272 176.094 -0.024 0.000 1.061 994 V CA 1.994 64.285 62.300 -0.015 0.000 1.064 994 V CB -0.611 31.010 31.823 -0.336 0.000 0.670 994 V HN 0.369 nan 8.190 nan 0.000 0.461 995 M N -0.325 119.311 119.600 0.060 0.000 2.618 995 M HA 0.209 4.694 4.480 0.009 0.000 0.240 995 M C 1.521 177.907 176.300 0.144 0.000 1.123 995 M CA 0.981 56.358 55.300 0.127 0.000 1.060 995 M CB 0.154 32.868 32.600 0.190 0.000 1.535 995 M HN 0.527 nan 8.290 nan 0.000 0.507 996 G N 0.830 109.621 108.800 -0.015 0.000 2.132 996 G HA2 -0.193 3.772 3.960 0.009 0.000 0.234 996 G HA3 -0.193 3.772 3.960 0.009 0.000 0.234 996 G C 0.049 174.896 174.900 -0.089 0.000 0.989 996 G CA 0.272 45.327 45.100 -0.074 0.000 0.676 996 G HN 0.417 nan 8.290 nan 0.000 0.522 997 T N -0.203 114.294 114.554 -0.094 0.000 2.916 997 T HA 0.858 5.214 4.350 0.009 0.000 0.292 997 T C -0.129 174.516 174.700 -0.092 0.000 1.064 997 T CA 0.246 62.274 62.100 -0.120 0.000 1.011 997 T CB 2.216 70.948 68.868 -0.228 0.000 1.152 997 T HN 1.546 nan 8.240 nan 0.000 0.510 998 S N -0.666 114.982 115.700 -0.086 0.000 2.552 998 S HA 0.603 5.079 4.470 0.009 0.000 0.272 998 S C 0.253 174.821 174.600 -0.052 0.000 1.150 998 S CA -0.172 58.015 58.200 -0.021 0.000 0.849 998 S CB 1.034 64.287 63.200 0.089 0.000 1.113 998 S HN 1.842 nan 8.310 nan 0.000 0.458 999 G N 1.917 110.692 108.800 -0.042 0.000 2.372 999 G HA2 -0.250 3.716 3.960 0.009 0.000 0.297 999 G HA3 -0.250 3.716 3.960 0.009 0.000 0.297 999 G C 0.150 175.003 174.900 -0.079 0.000 1.005 999 G CA 0.465 45.538 45.100 -0.044 0.000 1.173 999 G HN 1.400 nan 8.290 nan 0.000 0.511 1000 K N -1.397 118.926 120.400 -0.129 0.000 3.777 1000 K HA -0.264 4.061 4.320 0.009 0.000 0.276 1000 K C 1.146 177.663 176.600 -0.139 0.000 0.877 1000 K CA 1.705 57.899 56.287 -0.155 0.000 0.724 1000 K CB -0.449 31.998 32.500 -0.089 0.000 1.589 1000 K HN 0.756 nan 8.250 nan 0.000 0.444 1001 K N -0.213 120.074 120.400 -0.189 0.000 4.564 1001 K HA 0.369 4.695 4.320 0.009 0.000 0.234 1001 K C 0.081 176.600 176.600 -0.136 0.000 1.062 1001 K CA 0.185 56.399 56.287 -0.121 0.000 1.948 1001 K CB 0.947 33.393 32.500 -0.088 0.000 2.935 1001 K HN 0.250 nan 8.250 nan 0.000 0.681 1002 T N -0.805 113.691 114.554 -0.097 0.000 2.677 1002 T HA 0.352 4.707 4.350 0.009 0.000 0.305 1002 T C -1.818 172.916 174.700 0.057 0.000 1.569 1002 T CA -0.690 61.424 62.100 0.024 0.000 0.984 1002 T CB 1.328 70.256 68.868 0.100 0.000 1.629 1002 T HN 0.750 nan 8.240 nan 0.000 0.494 1003 S N -1.139 114.654 115.700 0.156 0.000 2.718 1003 S HA 0.392 4.868 4.470 0.009 0.000 0.271 1003 S C -3.045 171.631 174.600 0.127 0.000 0.999 1003 S CA -0.903 57.363 58.200 0.110 0.000 0.899 1003 S CB 0.545 63.803 63.200 0.096 0.000 1.148 1003 S HN 0.429 nan 8.310 nan 0.000 0.463 1004 P HA -0.049 nan 4.420 nan 0.000 0.216 1004 P C 1.253 178.564 177.300 0.019 0.000 1.153 1004 P CA 1.401 64.481 63.100 -0.033 0.000 0.848 1004 P CB -0.126 31.477 31.700 -0.163 0.000 0.787 1005 H N -2.127 117.013 119.070 0.117 0.000 2.357 1005 H HA -0.065 4.496 4.556 0.009 0.000 0.301 1005 H C 1.902 177.343 175.328 0.188 0.000 1.082 1005 H CA 1.058 57.187 56.048 0.135 0.000 1.342 1005 H CB -1.140 28.698 29.762 0.127 0.000 1.389 1005 H HN 0.122 nan 8.280 nan 0.000 0.511 1006 F N 2.104 122.172 119.950 0.197 0.000 2.171 1006 F HA -0.172 4.361 4.527 0.009 0.000 0.300 1006 F C 2.282 178.212 175.800 0.216 0.000 1.090 1006 F CA 1.300 59.401 58.000 0.170 0.000 1.293 1006 F CB -0.095 38.962 39.000 0.094 0.000 1.013 1006 F HN 0.082 nan 8.300 nan 0.000 0.486 1007 Q N -0.430 119.418 119.800 0.081 0.000 2.172 1007 Q HA -0.170 4.175 4.340 0.009 0.000 0.200 1007 Q C 2.034 177.994 176.000 -0.066 0.000 0.964 1007 Q CA 1.221 56.996 55.803 -0.047 0.000 0.855 1007 Q CB -0.137 28.628 28.738 0.045 0.000 0.918 1007 Q HN 0.184 nan 8.270 nan 0.000 0.444 1008 K N 0.772 121.181 120.400 0.015 0.000 2.103 1008 K HA -0.126 4.199 4.320 0.009 0.000 0.204 1008 K C 1.535 178.089 176.600 -0.077 0.000 1.052 1008 K CA 0.884 57.166 56.287 -0.008 0.000 0.945 1008 K CB -0.337 32.218 32.500 0.092 0.000 0.722 1008 K HN 0.148 nan 8.250 nan 0.000 0.443 1009 F N 1.597 121.437 119.950 -0.183 0.000 2.051 1009 F HA -0.217 4.316 4.527 0.010 0.000 0.296 1009 F C 1.908 177.526 175.800 -0.304 0.000 1.122 1009 F CA 1.830 59.685 58.000 -0.242 0.000 1.201 1009 F CB -0.448 38.453 39.000 -0.165 0.000 0.978 1009 F HN 0.102 nan 8.300 nan 0.000 0.472 1010 Q N -0.320 119.259 119.800 -0.368 0.000 2.181 1010 Q HA -0.259 4.087 4.340 0.009 0.000 0.205 1010 Q C 1.817 177.603 176.000 -0.357 0.000 0.980 1010 Q CA 1.820 57.359 55.803 -0.439 0.000 0.862 1010 Q CB -0.439 28.071 28.738 -0.381 0.000 0.905 1010 Q HN 0.529 nan 8.270 nan 0.000 0.429 1011 D N 0.545 120.772 120.400 -0.287 0.000 2.084 1011 D HA -0.121 4.525 4.640 0.009 0.000 0.196 1011 D C 1.675 177.788 176.300 -0.312 0.000 0.985 1011 D CA 1.025 54.885 54.000 -0.234 0.000 0.826 1011 D CB -0.042 40.658 40.800 -0.165 0.000 0.978 1011 D HN 0.184 nan 8.370 nan 0.000 0.456 1012 I N 0.033 120.357 120.570 -0.410 0.000 2.127 1012 I HA -0.330 3.845 4.170 0.009 0.000 0.241 1012 I C 2.632 178.414 176.117 -0.559 0.000 1.075 1012 I CA 0.661 61.654 61.300 -0.512 0.000 1.334 1012 I CB -0.573 37.032 38.000 -0.660 0.000 1.040 1012 I HN 0.201 nan 8.210 nan 0.000 0.405 1013 C N 0.487 119.391 119.300 -0.659 0.000 2.359 1013 C HA -0.203 4.263 4.460 0.009 0.000 0.279 1013 C C 2.944 177.573 174.990 -0.602 0.000 1.191 1013 C CA 1.224 59.833 59.018 -0.682 0.000 1.764 1013 C CB -0.887 26.465 27.740 -0.647 0.000 2.026 1013 C HN 0.384 nan 8.230 nan 0.000 0.442 1014 V N 0.987 120.645 119.914 -0.426 0.000 2.282 1014 V HA -0.294 3.831 4.120 0.009 0.000 0.249 1014 V C 2.465 178.433 176.094 -0.210 0.000 1.057 1014 V CA 2.426 64.566 62.300 -0.267 0.000 1.032 1014 V CB -0.756 30.986 31.823 -0.136 0.000 0.645 1014 V HN 0.587 nan 8.190 nan 0.000 0.447 1015 K N -0.082 120.176 120.400 -0.238 0.000 2.063 1015 K HA -0.193 4.133 4.320 0.009 0.000 0.208 1015 K C 2.170 178.641 176.600 -0.214 0.000 1.048 1015 K CA 1.603 57.773 56.287 -0.196 0.000 0.928 1015 K CB -0.304 32.074 32.500 -0.205 0.000 0.713 1015 K HN 0.459 nan 8.250 nan 0.000 0.442 1016 A N 0.109 122.726 122.820 -0.338 0.000 1.897 1016 A HA -0.169 4.157 4.320 0.009 0.000 0.215 1016 A C 2.027 179.633 177.584 0.037 0.000 1.181 1016 A CA 1.225 53.069 52.037 -0.323 0.000 0.620 1016 A CB -0.820 17.755 19.000 -0.709 0.000 0.821 1016 A HN 0.543 nan 8.150 nan 0.000 0.443 1017 Y N 1.470 121.577 120.300 -0.320 0.000 2.145 1017 Y HA -0.179 4.376 4.550 0.009 0.000 0.286 1017 Y C 1.890 177.690 175.900 -0.168 0.000 1.145 1017 Y CA 2.000 59.910 58.100 -0.316 0.000 1.148 1017 Y CB -0.397 37.638 38.460 -0.710 0.000 0.981 1017 Y HN 0.294 nan 8.280 nan 0.000 0.507 1018 L N -0.712 120.339 121.223 -0.287 0.000 2.478 1018 L HA 0.285 4.631 4.340 0.009 0.000 0.223 1018 L C 2.175 178.689 176.870 -0.594 0.000 1.140 1018 L CA 1.445 56.026 54.840 -0.432 0.000 0.842 1018 L CB -1.607 40.303 42.059 -0.248 0.000 0.953 1018 L HN 0.110 nan 8.230 nan 0.000 0.452 1019 A N 0.487 123.123 122.820 -0.305 0.000 1.929 1019 A HA 0.057 4.383 4.320 0.009 0.000 0.216 1019 A C 2.282 179.839 177.584 -0.044 0.000 1.176 1019 A CA 1.459 53.416 52.037 -0.133 0.000 0.628 1019 A CB -0.704 18.420 19.000 0.208 0.000 0.816 1019 A HN 0.462 nan 8.150 nan 0.000 0.444 1020 L N -1.134 120.044 121.223 -0.075 0.000 2.217 1020 L HA -0.078 4.268 4.340 0.009 0.000 0.211 1020 L C 2.673 179.463 176.870 -0.133 0.000 1.107 1020 L CA 0.787 55.556 54.840 -0.119 0.000 0.783 1020 L CB -0.319 41.653 42.059 -0.145 0.000 0.919 1020 L HN 0.340 nan 8.230 nan 0.000 0.442 1021 R N -0.979 119.341 120.500 -0.300 0.000 2.189 1021 R HA -0.111 4.235 4.340 0.009 0.000 0.223 1021 R C 1.674 177.932 176.300 -0.070 0.000 1.092 1021 R CA 0.742 56.695 56.100 -0.246 0.000 0.989 1021 R CB -0.287 29.800 30.300 -0.355 0.000 0.876 1021 R HN 0.531 nan 8.270 nan 0.000 0.457 1022 H N -1.300 117.735 119.070 -0.058 0.000 2.563 1022 H HA 0.015 4.576 4.556 0.009 0.000 0.272 1022 H C 0.413 175.543 175.328 -0.330 0.000 1.005 1022 H CA 0.336 56.302 56.048 -0.137 0.000 1.171 1022 H CB 0.272 29.977 29.762 -0.094 0.000 1.351 1022 H HN 0.289 nan 8.280 nan 0.000 0.602 1023 H N -1.241 117.839 119.070 0.016 0.000 2.777 1023 H HA 0.085 4.647 4.556 0.010 0.000 0.244 1023 H C 1.028 176.332 175.328 -0.041 0.000 1.185 1023 H CA 0.002 56.039 56.048 -0.019 0.000 0.945 1023 H CB 0.759 30.495 29.762 -0.043 0.000 1.994 1023 H HN 0.226 nan 8.280 nan 0.000 0.638 1024 T N 1.409 115.981 114.554 0.030 0.000 2.592 1024 T HA -0.218 4.137 4.350 0.009 0.000 0.267 1024 T C 1.901 176.613 174.700 0.020 0.000 1.060 1024 T CA 1.944 64.043 62.100 -0.003 0.000 1.167 1024 T CB 0.029 68.882 68.868 -0.024 0.000 0.863 1024 T HN 0.417 nan 8.240 nan 0.000 0.431 1025 N N 1.196 119.911 118.700 0.023 0.000 2.061 1025 N HA -0.048 4.697 4.740 0.009 0.000 0.193 1025 N C 1.815 177.356 175.510 0.051 0.000 1.030 1025 N CA 0.753 53.824 53.050 0.035 0.000 0.856 1025 N CB -0.872 37.630 38.487 0.026 0.000 1.023 1025 N HN 0.270 nan 8.380 nan 0.000 0.424 1026 L N 0.674 121.935 121.223 0.064 0.000 2.013 1026 L HA -0.179 4.166 4.340 0.009 0.000 0.212 1026 L C 1.945 178.859 176.870 0.074 0.000 1.073 1026 L CA 1.423 56.308 54.840 0.074 0.000 0.753 1026 L CB -0.366 41.760 42.059 0.112 0.000 0.890 1026 L HN 0.196 nan 8.230 nan 0.000 0.432 1027 L N -0.504 120.753 121.223 0.056 0.000 1.994 1027 L HA -0.286 4.060 4.340 0.009 0.000 0.208 1027 L C 2.575 179.499 176.870 0.090 0.000 1.071 1027 L CA 1.425 56.291 54.840 0.042 0.000 0.745 1027 L CB -0.502 41.546 42.059 -0.019 0.000 0.892 1027 L HN 0.257 nan 8.230 nan 0.000 0.431 1028 I N -0.253 120.363 120.570 0.076 0.000 2.194 1028 I HA -0.343 3.833 4.170 0.009 0.000 0.246 1028 I C 2.479 178.690 176.117 0.157 0.000 1.093 1028 I CA 1.473 62.846 61.300 0.122 0.000 1.355 1028 I CB -0.125 37.923 38.000 0.080 0.000 1.046 1028 I HN 0.243 nan 8.210 nan 0.000 0.413 1029 I N 0.197 120.833 120.570 0.110 0.000 2.617 1029 I HA -0.187 3.989 4.170 0.009 0.000 0.256 1029 I C 2.060 178.239 176.117 0.103 0.000 1.167 1029 I CA 1.398 62.754 61.300 0.093 0.000 1.469 1029 I CB -0.030 38.008 38.000 0.063 0.000 1.098 1029 I HN 0.083 nan 8.210 nan 0.000 0.436 1030 L N -1.448 119.850 121.223 0.124 0.000 2.179 1030 L HA -0.124 4.222 4.340 0.009 0.000 0.208 1030 L C 2.307 179.263 176.870 0.143 0.000 1.096 1030 L CA 0.822 55.734 54.840 0.120 0.000 0.779 1030 L CB -0.683 41.443 42.059 0.112 0.000 0.922 1030 L HN 0.219 nan 8.230 nan 0.000 0.443 1031 F N 1.363 121.323 119.950 0.017 0.000 2.113 1031 F HA -0.230 4.302 4.527 0.008 0.000 0.297 1031 F C 2.842 178.659 175.800 0.029 0.000 1.103 1031 F CA 1.603 59.613 58.000 0.017 0.000 1.248 1031 F CB -0.360 38.661 39.000 0.034 0.000 0.999 1031 F HN 0.091 nan 8.300 nan 0.000 0.475 1032 S N 0.125 115.864 115.700 0.065 0.000 2.383 1032 S HA -0.226 4.249 4.470 0.009 0.000 0.227 1032 S C 2.081 176.665 174.600 -0.028 0.000 1.026 1032 S CA 1.388 59.565 58.200 -0.039 0.000 0.981 1032 S CB -0.805 62.420 63.200 0.042 0.000 0.818 1032 S HN 0.468 nan 8.310 nan 0.000 0.472 1033 M N 0.765 120.384 119.600 0.032 0.000 2.229 1033 M HA 0.010 4.496 4.480 0.009 0.000 0.264 1033 M C 2.492 178.816 176.300 0.040 0.000 1.063 1033 M CA 1.605 56.975 55.300 0.117 0.000 1.114 1033 M CB -0.550 32.148 32.600 0.162 0.000 1.387 1033 M HN 0.472 nan 8.290 nan 0.000 0.420 1034 M N 1.021 120.589 119.600 -0.054 0.000 2.067 1034 M HA -0.201 4.284 4.480 0.009 0.000 0.260 1034 M C 1.937 178.135 176.300 -0.169 0.000 1.069 1034 M CA 1.768 56.994 55.300 -0.124 0.000 1.117 1034 M CB -0.116 32.395 32.600 -0.147 0.000 1.334 1034 M HN 0.217 nan 8.290 nan 0.000 0.407 1035 L N 0.032 121.106 121.223 -0.249 0.000 2.042 1035 L HA -0.233 4.112 4.340 0.009 0.000 0.210 1035 L C 2.566 179.378 176.870 -0.097 0.000 1.076 1035 L CA 1.503 56.208 54.840 -0.225 0.000 0.749 1035 L CB -0.732 41.139 42.059 -0.312 0.000 0.893 1035 L HN 0.504 nan 8.230 nan 0.000 0.432 1036 M N -0.858 118.728 119.600 -0.024 0.000 2.319 1036 M HA -0.083 4.403 4.480 0.009 0.000 0.265 1036 M C 1.838 178.121 176.300 -0.028 0.000 1.068 1036 M CA 1.795 57.120 55.300 0.041 0.000 1.118 1036 M CB -0.437 32.280 32.600 0.194 0.000 1.395 1036 M HN 0.357 nan 8.290 nan 0.000 0.435 1037 T N -3.894 110.614 114.554 -0.077 0.000 3.085 1037 T HA 0.349 4.704 4.350 0.009 0.000 0.264 1037 T C 1.224 175.831 174.700 -0.155 0.000 1.019 1037 T CA 0.322 62.323 62.100 -0.165 0.000 0.910 1037 T CB 0.349 69.073 68.868 -0.239 0.000 1.059 1037 T HN 0.375 nan 8.240 nan 0.000 0.542 1038 G N 0.868 109.586 108.800 -0.136 0.000 2.649 1038 G HA2 0.381 4.347 3.960 0.009 0.000 0.199 1038 G HA3 0.381 4.347 3.960 0.009 0.000 0.199 1038 G C 0.320 175.138 174.900 -0.137 0.000 1.085 1038 G CA -0.273 44.738 45.100 -0.148 0.000 0.804 1038 G HN 0.274 nan 8.290 nan 0.000 0.671 1039 M N 0.739 120.272 119.600 -0.112 0.000 2.679 1039 M HA 0.439 4.925 4.480 0.009 0.000 0.287 1039 M C -1.628 174.660 176.300 -0.021 0.000 1.202 1039 M CA -3.110 52.154 55.300 -0.060 0.000 0.911 1039 M CB 0.461 33.039 32.600 -0.036 0.000 1.556 1039 M HN -0.132 nan 8.290 nan 0.000 0.511 1040 P HA 0.011 nan 4.420 nan 0.000 0.273 1040 P C -0.469 176.815 177.300 -0.026 0.000 1.324 1040 P CA 0.372 63.476 63.100 0.005 0.000 0.728 1040 P CB 0.067 31.785 31.700 0.030 0.000 1.614 1041 Q N 1.038 120.809 119.800 -0.049 0.000 2.490 1041 Q HA 0.255 4.601 4.340 0.009 0.000 0.226 1041 Q C -0.436 175.505 176.000 -0.100 0.000 1.132 1041 Q CA -0.476 55.260 55.803 -0.111 0.000 0.928 1041 Q CB -0.912 27.715 28.738 -0.185 0.000 1.299 1041 Q HN 0.179 nan 8.270 nan 0.000 0.528 1042 L N 1.704 122.903 121.223 -0.040 0.000 2.331 1042 L HA 0.510 4.855 4.340 0.009 0.000 0.278 1042 L C -0.342 176.544 176.870 0.028 0.000 1.106 1042 L CA -0.097 54.738 54.840 -0.008 0.000 0.824 1042 L CB 0.135 42.192 42.059 -0.004 0.000 1.142 1042 L HN 0.297 nan 8.230 nan 0.000 0.443 1043 T N 2.852 117.422 114.554 0.026 0.000 2.759 1043 T HA -0.012 4.343 4.350 0.009 0.000 0.273 1043 T C 1.328 176.127 174.700 0.165 0.000 0.938 1043 T CA 0.356 62.506 62.100 0.082 0.000 1.197 1043 T CB -0.325 68.583 68.868 0.067 0.000 0.887 1043 T HN 0.732 nan 8.240 nan 0.000 0.540 1044 S N 3.574 119.459 115.700 0.308 0.000 2.977 1044 S HA 0.008 4.484 4.470 0.009 0.000 0.241 1044 S C 1.181 175.859 174.600 0.130 0.000 0.994 1044 S CA 0.697 59.017 58.200 0.201 0.000 1.054 1044 S CB -0.149 63.136 63.200 0.143 0.000 0.818 1044 S HN 0.614 nan 8.310 nan 0.000 0.534 1045 K N -0.384 120.095 120.400 0.132 0.000 2.954 1045 K HA 0.231 4.557 4.320 0.009 0.000 0.274 1045 K C 1.275 177.944 176.600 0.115 0.000 1.929 1045 K CA -0.628 55.724 56.287 0.108 0.000 1.134 1045 K CB -0.015 32.547 32.500 0.103 0.000 2.612 1045 K HN -0.099 nan 8.250 nan 0.000 0.579 1046 E N 1.700 121.966 120.200 0.110 0.000 2.108 1046 E HA -0.262 4.094 4.350 0.009 0.000 0.203 1046 E C 1.203 177.897 176.600 0.157 0.000 1.022 1046 E CA 1.938 58.410 56.400 0.120 0.000 0.823 1046 E CB -0.148 29.614 29.700 0.103 0.000 0.744 1046 E HN 0.292 nan 8.360 nan 0.000 0.456 1047 D N 0.635 121.119 120.400 0.141 0.000 2.088 1047 D HA -0.163 4.483 4.640 0.009 0.000 0.191 1047 D C 2.015 178.461 176.300 0.243 0.000 0.992 1047 D CA 0.886 54.982 54.000 0.159 0.000 0.831 1047 D CB -0.333 40.516 40.800 0.081 0.000 0.973 1047 D HN 0.149 nan 8.370 nan 0.000 0.447 1048 I N 1.120 121.799 120.570 0.182 0.000 2.423 1048 I HA -0.192 3.984 4.170 0.009 0.000 0.254 1048 I C 2.154 178.480 176.117 0.348 0.000 1.151 1048 I CA 0.939 62.389 61.300 0.250 0.000 1.421 1048 I CB -1.038 37.047 38.000 0.142 0.000 1.079 1048 I HN 0.118 nan 8.210 nan 0.000 0.431 1049 E N -0.040 120.308 120.200 0.246 0.000 2.418 1049 E HA -0.230 4.126 4.350 0.009 0.000 0.197 1049 E C 2.105 178.811 176.600 0.178 0.000 1.026 1049 E CA 0.256 56.764 56.400 0.181 0.000 0.862 1049 E CB -0.113 29.663 29.700 0.127 0.000 0.799 1049 E HN 0.528 nan 8.360 nan 0.000 0.518 1050 Y N 0.682 121.067 120.300 0.142 0.000 2.128 1050 Y HA -0.254 4.302 4.550 0.010 0.000 0.284 1050 Y C 2.004 177.859 175.900 -0.076 0.000 1.154 1050 Y CA 1.839 59.974 58.100 0.057 0.000 1.149 1050 Y CB -0.161 38.360 38.460 0.103 0.000 0.976 1050 Y HN 0.070 nan 8.280 nan 0.000 0.505 1051 I N 0.223 120.802 120.570 0.015 0.000 2.530 1051 I HA -0.304 3.872 4.170 0.009 0.000 0.257 1051 I C 2.618 178.624 176.117 -0.184 0.000 1.179 1051 I CA 1.394 62.529 61.300 -0.275 0.000 1.440 1051 I CB -0.256 37.386 38.000 -0.596 0.000 1.087 1051 I HN 0.260 nan 8.210 nan 0.000 0.440 1052 R N 0.622 121.068 120.500 -0.091 0.000 2.066 1052 R HA -0.174 4.171 4.340 0.009 0.000 0.232 1052 R C 1.849 178.076 176.300 -0.121 0.000 1.131 1052 R CA 2.006 58.065 56.100 -0.069 0.000 0.955 1052 R CB -0.157 30.134 30.300 -0.015 0.000 0.851 1052 R HN 0.333 nan 8.270 nan 0.000 0.432 1053 D N 0.236 120.527 120.400 -0.180 0.000 2.144 1053 D HA -0.093 4.552 4.640 0.009 0.000 0.200 1053 D C 1.725 177.877 176.300 -0.246 0.000 0.978 1053 D CA 1.423 55.296 54.000 -0.211 0.000 0.833 1053 D CB -0.269 40.403 40.800 -0.214 0.000 0.961 1053 D HN 0.392 nan 8.370 nan 0.000 0.470 1054 A N 0.772 123.348 122.820 -0.406 0.000 1.902 1054 A HA -0.093 4.233 4.320 0.009 0.000 0.217 1054 A C 2.133 179.825 177.584 0.179 0.000 1.181 1054 A CA 0.843 52.708 52.037 -0.286 0.000 0.623 1054 A CB -0.710 17.934 19.000 -0.594 0.000 0.818 1054 A HN 0.227 nan 8.150 nan 0.000 0.443 1055 L N -0.068 121.178 121.223 0.038 0.000 2.645 1055 L HA 0.035 4.381 4.340 0.009 0.000 0.235 1055 L C 1.032 177.929 176.870 0.044 0.000 1.150 1055 L CA 0.296 55.179 54.840 0.071 0.000 0.911 1055 L CB -0.628 41.400 42.059 -0.052 0.000 1.077 1055 L HN 0.401 nan 8.230 nan 0.000 0.438 1056 T N 0.427 114.984 114.554 0.005 0.000 3.290 1056 T HA -0.173 4.183 4.350 0.009 0.000 0.422 1056 T C 0.370 175.028 174.700 -0.070 0.000 0.771 1056 T CA -0.155 61.870 62.100 -0.125 0.000 2.100 1056 T CB -0.987 67.767 68.868 -0.191 0.000 1.676 1056 T HN 0.066 nan 8.240 nan 0.000 0.613 1057 V N 2.189 122.063 119.914 -0.066 0.000 2.788 1057 V HA 0.415 4.540 4.120 0.009 0.000 0.307 1057 V C 2.036 178.107 176.094 -0.038 0.000 1.069 1057 V CA 1.346 63.619 62.300 -0.044 0.000 1.173 1057 V CB 0.770 32.572 31.823 -0.035 0.000 0.925 1057 V HN 1.190 nan 8.190 nan 0.000 0.492 1058 G N 3.763 112.549 108.800 -0.024 0.000 2.812 1058 G HA2 -0.216 3.749 3.960 0.009 0.000 0.219 1058 G HA3 -0.216 3.749 3.960 0.009 0.000 0.219 1058 G C 0.420 175.314 174.900 -0.010 0.000 1.275 1058 G CA 0.024 45.115 45.100 -0.016 0.000 0.769 1058 G HN 0.569 nan 8.290 nan 0.000 0.527 1059 K N 2.591 122.982 120.400 -0.015 0.000 2.397 1059 K HA 0.129 4.454 4.320 0.009 0.000 0.265 1059 K C 1.019 177.629 176.600 0.016 0.000 0.982 1059 K CA 0.312 56.599 56.287 0.001 0.000 0.931 1059 K CB 0.182 32.679 32.500 -0.004 0.000 0.943 1059 K HN 0.840 nan 8.250 nan 0.000 0.501 1060 N N 0.818 119.535 118.700 0.028 0.000 2.379 1060 N HA 0.019 4.765 4.740 0.009 0.000 0.260 1060 N C 0.561 176.101 175.510 0.050 0.000 1.254 1060 N CA -0.333 52.737 53.050 0.033 0.000 0.958 1060 N CB 0.781 39.286 38.487 0.030 0.000 1.208 1060 N HN 0.392 nan 8.380 nan 0.000 0.532 1061 E N -0.162 120.069 120.200 0.051 0.000 2.130 1061 E HA -0.195 4.160 4.350 0.009 0.000 0.196 1061 E C 1.125 177.770 176.600 0.075 0.000 0.998 1061 E CA 1.302 57.739 56.400 0.061 0.000 0.806 1061 E CB 0.126 29.862 29.700 0.060 0.000 0.738 1061 E HN 0.559 nan 8.360 nan 0.000 0.459 1062 E N 0.952 121.190 120.200 0.063 0.000 2.051 1062 E HA -0.162 4.194 4.350 0.009 0.000 0.192 1062 E C 1.726 178.378 176.600 0.085 0.000 0.991 1062 E CA 0.907 57.345 56.400 0.064 0.000 0.799 1062 E CB -0.303 29.426 29.700 0.048 0.000 0.748 1062 E HN 0.278 nan 8.360 nan 0.000 0.449 1063 D N 0.657 121.108 120.400 0.086 0.000 2.219 1063 D HA -0.069 4.577 4.640 0.009 0.000 0.205 1063 D C 1.740 178.141 176.300 0.168 0.000 0.970 1063 D CA 1.083 55.147 54.000 0.107 0.000 0.851 1063 D CB -0.082 40.765 40.800 0.078 0.000 0.943 1063 D HN 0.130 nan 8.370 nan 0.000 0.488 1064 A N 1.531 124.461 122.820 0.183 0.000 1.832 1064 A HA -0.203 4.122 4.320 0.009 0.000 0.214 1064 A C 2.110 179.902 177.584 0.347 0.000 1.200 1064 A CA 1.868 54.097 52.037 0.320 0.000 0.610 1064 A CB -0.571 18.609 19.000 0.299 0.000 0.842 1064 A HN 0.188 nan 8.150 nan 0.000 0.444 1065 K N 0.021 120.561 120.400 0.234 0.000 2.059 1065 K HA -0.309 4.016 4.320 0.009 0.000 0.212 1065 K C 2.093 178.772 176.600 0.132 0.000 1.050 1065 K CA 2.284 58.666 56.287 0.157 0.000 0.927 1065 K CB -0.198 32.355 32.500 0.088 0.000 0.714 1065 K HN 0.295 nan 8.250 nan 0.000 0.447 1066 K N 0.395 120.873 120.400 0.131 0.000 2.009 1066 K HA -0.256 4.070 4.320 0.009 0.000 0.210 1066 K C 2.079 178.741 176.600 0.105 0.000 1.049 1066 K CA 2.078 58.426 56.287 0.103 0.000 0.929 1066 K CB -1.006 31.558 32.500 0.107 0.000 0.714 1066 K HN 0.390 nan 8.250 nan 0.000 0.440 1067 Y N -0.385 119.936 120.300 0.036 0.000 2.114 1067 Y HA -0.250 4.306 4.550 0.011 0.000 0.282 1067 Y C 1.964 177.807 175.900 -0.096 0.000 1.165 1067 Y CA 2.275 60.375 58.100 0.001 0.000 1.148 1067 Y CB -0.439 38.057 38.460 0.059 0.000 0.972 1067 Y HN 0.194 nan 8.280 nan 0.000 0.504 1068 F N -0.020 119.759 119.950 -0.285 0.000 2.146 1068 F HA -0.179 4.353 4.527 0.009 0.000 0.298 1068 F C 1.970 177.560 175.800 -0.350 0.000 1.096 1068 F CA 1.453 59.136 58.000 -0.530 0.000 1.275 1068 F CB -0.387 38.244 39.000 -0.616 0.000 1.008 1068 F HN 0.002 nan 8.300 nan 0.000 0.480 1069 L N -0.369 120.827 121.223 -0.044 0.000 2.131 1069 L HA -0.232 4.113 4.340 0.009 0.000 0.210 1069 L C 1.883 178.691 176.870 -0.104 0.000 1.092 1069 L CA 1.174 55.993 54.840 -0.035 0.000 0.759 1069 L CB -0.695 41.369 42.059 0.009 0.000 0.903 1069 L HN 0.057 nan 8.230 nan 0.000 0.435 1070 D N -0.776 119.514 120.400 -0.184 0.000 2.149 1070 D HA -0.144 4.501 4.640 0.009 0.000 0.201 1070 D C 2.382 178.499 176.300 -0.305 0.000 0.972 1070 D CA 0.738 54.619 54.000 -0.199 0.000 0.835 1070 D CB -0.046 40.633 40.800 -0.201 0.000 0.966 1070 D HN 0.216 nan 8.370 nan 0.000 0.476 1071 Q N 0.273 119.762 119.800 -0.517 0.000 2.096 1071 Q HA -0.096 4.250 4.340 0.009 0.000 0.204 1071 Q C 2.330 178.047 176.000 -0.470 0.000 0.982 1071 Q CA 0.563 55.988 55.803 -0.630 0.000 0.850 1071 Q CB -0.293 27.819 28.738 -1.043 0.000 0.901 1071 Q HN 0.362 nan 8.270 nan 0.000 0.422 1072 I N 1.309 121.739 120.570 -0.234 0.000 2.264 1072 I HA -0.221 3.954 4.170 0.009 0.000 0.248 1072 I C 1.981 178.100 176.117 0.003 0.000 1.111 1072 I CA 1.252 62.590 61.300 0.063 0.000 1.382 1072 I CB -0.765 37.370 38.000 0.225 0.000 1.060 1072 I HN 0.227 nan 8.210 nan 0.000 0.418 1073 E N 0.593 120.764 120.200 -0.048 0.000 2.107 1073 E HA -0.092 4.264 4.350 0.009 0.000 0.191 1073 E C 2.423 178.962 176.600 -0.103 0.000 0.982 1073 E CA 0.749 57.127 56.400 -0.036 0.000 0.809 1073 E CB -0.349 29.333 29.700 -0.030 0.000 0.756 1073 E HN 0.302 nan 8.360 nan 0.000 0.459 1074 V N 0.754 120.565 119.914 -0.173 0.000 2.568 1074 V HA -0.269 3.857 4.120 0.009 0.000 0.253 1074 V C 2.404 178.380 176.094 -0.197 0.000 1.072 1074 V CA 1.342 63.535 62.300 -0.179 0.000 1.084 1074 V CB -0.634 31.059 31.823 -0.216 0.000 0.676 1074 V HN 0.293 nan 8.190 nan 0.000 0.469 1075 C N -0.577 118.571 119.300 -0.253 0.000 2.475 1075 C HA -0.020 4.445 4.460 0.009 0.000 0.279 1075 C C 2.883 177.773 174.990 -0.167 0.000 1.322 1075 C CA 0.355 59.224 59.018 -0.248 0.000 1.734 1075 C CB -0.940 26.623 27.740 -0.294 0.000 2.005 1075 C HN 0.490 nan 8.230 nan 0.000 0.495 1076 R N 1.037 121.467 120.500 -0.118 0.000 2.092 1076 R HA -0.092 4.254 4.340 0.009 0.000 0.231 1076 R C 1.489 177.728 176.300 -0.102 0.000 1.119 1076 R CA 1.299 57.334 56.100 -0.108 0.000 0.970 1076 R CB -0.579 29.677 30.300 -0.074 0.000 0.864 1076 R HN 0.592 nan 8.270 nan 0.000 0.440 1077 D N 0.650 120.999 120.400 -0.086 0.000 2.219 1077 D HA -0.100 4.546 4.640 0.009 0.000 0.205 1077 D C 1.539 177.804 176.300 -0.059 0.000 0.970 1077 D CA 1.100 55.061 54.000 -0.064 0.000 0.851 1077 D CB 0.036 40.803 40.800 -0.055 0.000 0.943 1077 D HN 0.029 nan 8.370 nan 0.000 0.488 1078 K N 0.151 120.505 120.400 -0.077 0.000 2.365 1078 K HA 0.126 4.451 4.320 0.009 0.000 0.197 1078 K C 1.433 178.000 176.600 -0.056 0.000 1.042 1078 K CA 0.548 56.802 56.287 -0.054 0.000 0.987 1078 K CB -0.027 32.438 32.500 -0.058 0.000 0.779 1078 K HN 0.143 nan 8.250 nan 0.000 0.484 1079 G N 0.669 109.392 108.800 -0.130 0.000 2.704 1079 G HA2 -0.349 3.616 3.960 0.009 0.000 0.344 1079 G HA3 -0.349 3.616 3.960 0.009 0.000 0.344 1079 G C 0.649 175.378 174.900 -0.285 0.000 1.200 1079 G CA 0.934 45.904 45.100 -0.215 0.000 0.962 1079 G HN 0.501 nan 8.290 nan 0.000 0.552 1080 W N 1.399 122.707 121.300 0.013 0.000 3.005 1080 W HA 0.411 5.077 4.660 0.010 0.000 0.374 1080 W C 2.492 179.102 176.519 0.150 0.000 1.076 1080 W CA 0.446 57.830 57.345 0.065 0.000 1.794 1080 W CB 0.095 29.633 29.460 0.131 0.000 1.113 1080 W HN 0.482 nan 8.180 nan 0.000 0.584 1081 T N 1.108 115.827 114.554 0.274 0.000 2.544 1081 T HA -0.294 4.062 4.350 0.009 0.000 0.264 1081 T C 1.861 176.740 174.700 0.299 0.000 1.096 1081 T CA 2.300 64.543 62.100 0.239 0.000 1.181 1081 T CB -0.882 68.059 68.868 0.122 0.000 0.864 1081 T HN -0.083 nan 8.240 nan 0.000 0.415 1082 V N 1.640 121.679 119.914 0.208 0.000 2.380 1082 V HA -0.207 3.918 4.120 0.009 0.000 0.251 1082 V C 2.828 179.139 176.094 0.360 0.000 1.063 1082 V CA 1.628 64.044 62.300 0.193 0.000 1.055 1082 V CB -0.753 31.172 31.823 0.171 0.000 0.657 1082 V HN 0.377 nan 8.190 nan 0.000 0.455 1083 Q N -0.751 119.311 119.800 0.436 0.000 2.020 1083 Q HA -0.198 4.147 4.340 0.009 0.000 0.202 1083 Q C 2.138 178.554 176.000 0.693 0.000 0.982 1083 Q CA 2.074 58.194 55.803 0.529 0.000 0.838 1083 Q CB -0.696 28.280 28.738 0.398 0.000 0.899 1083 Q HN 0.667 nan 8.270 nan 0.000 0.423 1084 F N 2.172 122.484 119.950 0.603 0.000 2.091 1084 F HA -0.233 4.299 4.527 0.009 0.000 0.299 1084 F C 1.835 177.946 175.800 0.518 0.000 1.103 1084 F CA 1.470 59.821 58.000 0.585 0.000 1.228 1084 F CB -0.357 38.850 39.000 0.346 0.000 0.984 1084 F HN 0.120 nan 8.300 nan 0.000 0.477 1085 N N -0.261 118.628 118.700 0.316 0.000 2.205 1085 N HA -0.226 4.520 4.740 0.009 0.000 0.186 1085 N C -0.056 175.511 175.510 0.094 0.000 1.015 1085 N CA 0.875 53.965 53.050 0.067 0.000 0.862 1085 N CB -0.794 37.676 38.487 -0.028 0.000 0.986 1085 N HN 0.366 nan 8.380 nan 0.000 0.429 1086 W N 1.211 122.610 121.300 0.165 0.000 2.776 1086 W HA 0.005 4.671 4.660 0.009 0.000 0.449 1086 W C -0.395 175.846 176.519 -0.464 0.000 1.117 1086 W CA 0.132 57.426 57.345 -0.085 0.000 1.557 1086 W CB -0.816 28.576 29.460 -0.114 0.000 1.581 1086 W HN -0.083 nan 8.180 nan 0.000 0.464 1087 F N 0.000 119.928 119.950 -0.036 0.000 2.286 1087 F HA 0.000 4.532 4.527 0.009 0.000 0.279 1087 F CA 0.000 57.957 58.000 -0.071 0.000 1.383 1087 F CB 0.000 38.910 39.000 -0.151 0.000 1.145 1087 F HN 0.000 nan 8.300 nan 0.000 0.574