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 3lj3_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM XXXXXXXXXX XXXSEQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXWDCDRKFR VKIRGIDIPV LXXXXDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXVRLLY YVNLLLIDHR FLLRRGEYVL HMWQISXXXX DATA SEQUENCE XXXSFNADKL TSATNPDKEN SMSISILLDN XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL XXXXXXVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSXVGNTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHILXXX XXXXXXXXER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHL 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 0.000 176.303 176.300 0.006 0.000 1.140 143 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 143 M CB 0.000 32.591 32.600 -0.016 0.000 1.302 144 S N -1.659 114.045 115.700 0.007 0.000 4.228 144 S HA 0.657 5.143 4.470 0.027 0.000 0.207 144 S C 1.648 176.259 174.600 0.018 0.000 1.152 144 S CA 1.458 59.664 58.200 0.011 0.000 1.645 144 S CB -0.340 62.864 63.200 0.006 0.000 1.307 144 S HN 2.278 nan 8.310 nan 0.000 0.761 145 E N 0.919 121.127 120.200 0.014 0.000 2.187 145 E HA -0.240 4.126 4.350 0.027 0.000 0.199 145 E C 1.706 178.324 176.600 0.029 0.000 1.004 145 E CA 2.115 58.526 56.400 0.019 0.000 0.813 145 E CB -1.030 28.678 29.700 0.013 0.000 0.736 145 E HN 0.615 nan 8.360 nan 0.000 0.468 146 E N -0.490 119.726 120.200 0.026 0.000 2.140 146 E HA 0.011 4.377 4.350 0.027 0.000 0.191 146 E C 2.297 178.938 176.600 0.069 0.000 0.973 146 E CA 1.107 57.529 56.400 0.036 0.000 0.829 146 E CB -0.125 29.578 29.700 0.004 0.000 0.781 146 E HN 0.425 nan 8.360 nan 0.000 0.466 147 S N -0.474 115.257 115.700 0.052 0.000 2.345 147 S HA -0.240 4.246 4.470 0.027 0.000 0.220 147 S C 2.301 176.982 174.600 0.135 0.000 1.031 147 S CA 2.264 60.517 58.200 0.089 0.000 0.996 147 S CB -0.664 62.563 63.200 0.046 0.000 0.882 147 S HN 0.411 nan 8.310 nan 0.000 0.445 148 Q N 0.280 120.127 119.800 0.079 0.000 2.181 148 Q HA 0.116 4.472 4.340 0.027 0.000 0.205 148 Q C 2.307 178.345 176.000 0.063 0.000 0.980 148 Q CA 2.062 57.901 55.803 0.060 0.000 0.862 148 Q CB -1.438 27.320 28.738 0.034 0.000 0.905 148 Q HN 0.901 nan 8.270 nan 0.000 0.429 149 A N -1.209 121.659 122.820 0.081 0.000 2.067 149 A HA 0.223 4.559 4.320 0.027 0.000 0.217 149 A C 2.004 179.655 177.584 0.111 0.000 1.156 149 A CA 1.095 53.177 52.037 0.075 0.000 0.683 149 A CB -0.358 18.684 19.000 0.069 0.000 0.808 149 A HN 0.724 nan 8.150 nan 0.000 0.455 150 F N 0.217 120.166 119.950 -0.002 0.000 2.206 150 F HA -0.111 4.432 4.527 0.027 0.000 0.298 150 F C 2.374 178.174 175.800 0.000 0.000 1.090 150 F CA 1.859 59.859 58.000 -0.000 0.000 1.323 150 F CB 0.038 39.035 39.000 -0.004 0.000 1.028 150 F HN 0.309 nan 8.300 nan 0.000 0.492 151 Q N 1.039 120.838 119.800 -0.001 0.000 2.167 151 Q HA -0.132 4.224 4.340 0.027 0.000 0.202 151 Q C 2.370 178.303 176.000 -0.111 0.000 0.970 151 Q CA 2.278 58.027 55.803 -0.091 0.000 0.855 151 Q CB -0.299 28.442 28.738 0.005 0.000 0.911 151 Q HN 0.374 nan 8.270 nan 0.000 0.438 152 R N 0.498 120.961 120.500 -0.062 0.000 2.092 152 R HA -0.082 4.274 4.340 0.027 0.000 0.231 152 R C 2.009 178.260 176.300 -0.082 0.000 1.119 152 R CA 1.619 57.685 56.100 -0.056 0.000 0.970 152 R CB -1.292 28.996 30.300 -0.021 0.000 0.864 152 R HN 0.580 nan 8.270 nan 0.000 0.440 153 Q N -0.048 119.683 119.800 -0.115 0.000 2.061 153 Q HA -0.090 4.266 4.340 0.027 0.000 0.204 153 Q C 2.326 178.216 176.000 -0.183 0.000 0.984 153 Q CA 1.870 57.591 55.803 -0.137 0.000 0.846 153 Q CB -0.211 28.421 28.738 -0.175 0.000 0.902 153 Q HN 0.645 nan 8.270 nan 0.000 0.421 154 L N -0.516 120.531 121.223 -0.292 0.000 2.005 154 L HA -0.182 4.174 4.340 0.027 0.000 0.207 154 L C 2.512 179.308 176.870 -0.124 0.000 1.072 154 L CA 1.491 56.188 54.840 -0.239 0.000 0.744 154 L CB -0.750 41.129 42.059 -0.301 0.000 0.895 154 L HN 0.210 nan 8.230 nan 0.000 0.433 155 T N 0.083 114.573 114.554 -0.107 0.000 2.737 155 T HA -0.250 4.116 4.350 0.027 0.000 0.269 155 T C 1.937 176.604 174.700 -0.054 0.000 1.040 155 T CA 1.461 63.519 62.100 -0.070 0.000 1.142 155 T CB -0.292 68.532 68.868 -0.074 0.000 0.861 155 T HN 0.473 nan 8.240 nan 0.000 0.456 156 A N 0.795 123.583 122.820 -0.053 0.000 1.930 156 A HA 0.104 4.440 4.320 0.027 0.000 0.217 156 A C 2.292 179.864 177.584 -0.021 0.000 1.175 156 A CA 0.961 52.979 52.037 -0.030 0.000 0.627 156 A CB -0.635 18.352 19.000 -0.022 0.000 0.815 156 A HN 0.475 nan 8.150 nan 0.000 0.443 157 L N -0.628 120.580 121.223 -0.024 0.000 2.072 157 L HA -0.118 4.238 4.340 0.027 0.000 0.205 157 L C 2.455 179.286 176.870 -0.066 0.000 1.079 157 L CA 1.063 55.912 54.840 0.016 0.000 0.752 157 L CB -0.436 41.655 42.059 0.053 0.000 0.906 157 L HN 0.372 nan 8.230 nan 0.000 0.436 158 I N -0.517 120.000 120.570 -0.088 0.000 2.163 158 I HA -0.141 4.045 4.170 0.027 0.000 0.240 158 I C 1.659 177.710 176.117 -0.109 0.000 1.081 158 I CA 1.296 62.514 61.300 -0.136 0.000 1.353 158 I CB -0.510 37.459 38.000 -0.051 0.000 1.054 158 I HN 0.484 nan 8.210 nan 0.000 0.407 159 G N -0.220 108.561 108.800 -0.033 0.000 2.144 159 G HA2 -0.291 3.685 3.960 0.027 0.000 0.218 159 G HA3 -0.291 3.685 3.960 0.027 0.000 0.218 159 G C -0.164 174.800 174.900 0.106 0.000 0.988 159 G CA -0.057 45.049 45.100 0.010 0.000 0.659 159 G HN 0.381 nan 8.290 nan 0.000 0.522 160 Y N -0.105 120.162 120.300 -0.055 0.000 2.521 160 Y HA 0.507 5.073 4.550 0.027 0.000 0.328 160 Y C -1.630 174.245 175.900 -0.042 0.000 1.151 160 Y CA -1.015 57.063 58.100 -0.038 0.000 1.054 160 Y CB 1.894 40.338 38.460 -0.027 0.000 1.338 160 Y HN 0.050 nan 8.280 nan 0.000 0.453 161 D N 3.889 123.959 120.400 -0.551 0.000 2.411 161 D HA 0.212 4.868 4.640 0.027 0.000 0.225 161 D C 1.062 177.259 176.300 -0.171 0.000 1.156 161 D CA 0.062 53.878 54.000 -0.307 0.000 0.874 161 D CB 1.178 41.792 40.800 -0.310 0.000 1.034 161 D HN 0.490 nan 8.370 nan 0.000 0.502 162 V N 1.871 121.817 119.914 0.053 0.000 2.720 162 V HA -0.174 3.962 4.120 0.027 0.000 0.256 162 V C 1.940 178.058 176.094 0.041 0.000 1.082 162 V CA 2.042 64.412 62.300 0.116 0.000 1.101 162 V CB -1.507 30.360 31.823 0.073 0.000 0.693 162 V HN 0.649 nan 8.190 nan 0.000 0.479 163 T N -2.602 111.946 114.554 -0.010 0.000 3.023 163 T HA -0.061 4.305 4.350 0.027 0.000 0.266 163 T C 0.909 175.594 174.700 -0.025 0.000 1.093 163 T CA 0.600 62.692 62.100 -0.014 0.000 1.129 163 T CB -0.587 68.269 68.868 -0.021 0.000 0.899 163 T HN 0.603 nan 8.240 nan 0.000 0.491 164 D N 2.116 122.478 120.400 -0.063 0.000 2.493 164 D HA 0.022 4.678 4.640 0.027 0.000 0.240 164 D C 0.887 177.180 176.300 -0.012 0.000 1.142 164 D CA 0.324 54.279 54.000 -0.074 0.000 0.872 164 D CB 1.378 42.068 40.800 -0.183 0.000 1.173 164 D HN 0.322 nan 8.370 nan 0.000 0.467 165 V N 1.144 121.054 119.914 -0.006 0.000 3.111 165 V HA 0.103 4.240 4.120 0.027 0.000 0.343 165 V C 1.570 177.673 176.094 0.016 0.000 1.417 165 V CA 0.449 62.757 62.300 0.014 0.000 1.142 165 V CB -0.332 31.502 31.823 0.017 0.000 1.114 165 V HN 0.508 nan 8.190 nan 0.000 0.520 166 S N 0.664 116.367 115.700 0.005 0.000 2.382 166 S HA -0.088 4.398 4.470 0.027 0.000 0.228 166 S C 1.303 175.913 174.600 0.017 0.000 1.027 166 S CA 1.835 60.036 58.200 0.003 0.000 0.991 166 S CB -0.609 62.580 63.200 -0.018 0.000 0.823 166 S HN 0.628 nan 8.310 nan 0.000 0.469 167 N N 1.278 119.995 118.700 0.029 0.000 2.761 167 N HA 0.333 5.089 4.740 0.027 0.000 0.317 167 N C -0.738 174.789 175.510 0.028 0.000 1.546 167 N CA -0.299 52.771 53.050 0.032 0.000 1.015 167 N CB 0.933 39.442 38.487 0.036 0.000 1.343 167 N HN 0.467 nan 8.380 nan 0.000 0.504 168 V N -1.038 118.890 119.914 0.025 0.000 3.130 168 V HA 0.633 4.769 4.120 0.027 0.000 0.310 168 V C 0.067 176.185 176.094 0.041 0.000 1.158 168 V CA -0.679 61.601 62.300 -0.033 0.000 1.029 168 V CB 1.835 33.639 31.823 -0.033 0.000 1.057 168 V HN 0.383 nan 8.190 nan 0.000 0.436 169 H N -0.245 118.903 119.070 0.131 0.000 3.233 169 H HA 0.599 5.171 4.556 0.027 0.000 0.263 169 H C -0.231 175.214 175.328 0.195 0.000 1.168 169 H CA 0.138 56.290 56.048 0.175 0.000 1.159 169 H CB 0.105 30.025 29.762 0.263 0.000 1.593 169 H HN 0.843 nan 8.280 nan 0.000 0.580 170 D N -0.764 119.720 120.400 0.139 0.000 2.812 170 D HA 0.102 4.758 4.640 0.027 0.000 0.318 170 D C -0.324 176.049 176.300 0.122 0.000 1.234 170 D CA -0.501 53.624 54.000 0.209 0.000 0.989 170 D CB 0.288 41.283 40.800 0.326 0.000 1.442 170 D HN 0.071 nan 8.370 nan 0.000 0.537 171 D N -1.301 119.203 120.400 0.173 0.000 2.559 171 D HA 0.046 4.703 4.640 0.027 0.000 0.234 171 D C 0.692 177.014 176.300 0.037 0.000 1.226 171 D CA -0.231 53.844 54.000 0.125 0.000 0.830 171 D CB 0.253 41.154 40.800 0.170 0.000 1.028 171 D HN 0.604 nan 8.370 nan 0.000 0.492 172 E N 0.870 120.970 120.200 -0.167 0.000 2.051 172 E HA -0.166 4.200 4.350 0.027 0.000 0.192 172 E C 1.917 178.448 176.600 -0.116 0.000 0.991 172 E CA 0.803 56.872 56.400 -0.552 0.000 0.799 172 E CB 0.003 29.485 29.700 -0.364 0.000 0.748 172 E HN 0.282 nan 8.360 nan 0.000 0.449 173 L N 0.575 121.740 121.223 -0.097 0.000 1.990 173 L HA -0.234 4.122 4.340 0.027 0.000 0.213 173 L C 2.774 179.617 176.870 -0.046 0.000 1.072 173 L CA 1.719 56.467 54.840 -0.154 0.000 0.755 173 L CB -0.559 41.381 42.059 -0.198 0.000 0.889 173 L HN 0.198 nan 8.230 nan 0.000 0.432 174 E N 0.149 120.351 120.200 0.004 0.000 2.058 174 E HA -0.277 4.089 4.350 0.027 0.000 0.194 174 E C 1.959 178.601 176.600 0.069 0.000 0.997 174 E CA 1.450 57.873 56.400 0.039 0.000 0.801 174 E CB -0.376 29.363 29.700 0.065 0.000 0.746 174 E HN 0.342 nan 8.360 nan 0.000 0.450 175 F N 0.384 120.308 119.950 -0.042 0.000 2.250 175 F HA -0.201 4.342 4.527 0.027 0.000 0.301 175 F C 2.047 177.834 175.800 -0.022 0.000 1.077 175 F CA 1.788 59.778 58.000 -0.015 0.000 1.348 175 F CB -0.258 38.735 39.000 -0.012 0.000 1.040 175 F HN 0.011 nan 8.300 nan 0.000 0.509 176 T N 0.139 114.719 114.554 0.043 0.000 2.896 176 T HA -0.060 4.307 4.350 0.027 0.000 0.263 176 T C 1.981 176.646 174.700 -0.057 0.000 1.050 176 T CA 0.920 63.015 62.100 -0.008 0.000 1.140 176 T CB -0.118 68.778 68.868 0.047 0.000 0.877 176 T HN 0.240 nan 8.240 nan 0.000 0.457 177 R N 0.954 121.427 120.500 -0.045 0.000 2.091 177 R HA -0.083 4.273 4.340 0.027 0.000 0.238 177 R C 3.037 179.300 176.300 -0.061 0.000 1.136 177 R CA 1.734 57.811 56.100 -0.038 0.000 0.959 177 R CB -0.367 29.922 30.300 -0.019 0.000 0.856 177 R HN 0.327 nan 8.270 nan 0.000 0.437 178 R N 0.688 121.125 120.500 -0.104 0.000 2.073 178 R HA 0.006 4.362 4.340 0.027 0.000 0.229 178 R C 2.390 178.584 176.300 -0.176 0.000 1.120 178 R CA 1.517 57.537 56.100 -0.133 0.000 0.967 178 R CB -1.841 28.363 30.300 -0.160 0.000 0.862 178 R HN 0.482 nan 8.270 nan 0.000 0.436 179 G N 0.584 109.221 108.800 -0.271 0.000 2.432 179 G HA2 -0.093 3.883 3.960 0.027 0.000 0.219 179 G HA3 -0.093 3.883 3.960 0.027 0.000 0.219 179 G C 1.562 176.396 174.900 -0.109 0.000 1.135 179 G CA 0.796 45.751 45.100 -0.241 0.000 0.767 179 G HN 0.431 nan 8.290 nan 0.000 0.550 180 L N 0.769 121.948 121.223 -0.074 0.000 2.552 180 L HA 0.014 4.370 4.340 0.027 0.000 0.227 180 L C 2.666 179.525 176.870 -0.018 0.000 1.146 180 L CA -0.255 54.570 54.840 -0.026 0.000 0.858 180 L CB -0.066 41.989 42.059 -0.005 0.000 0.969 180 L HN 0.071 nan 8.230 nan 0.000 0.451 181 V N -0.559 119.335 119.914 -0.034 0.000 2.261 181 V HA -0.289 3.847 4.120 0.027 0.000 0.246 181 V C 2.520 178.602 176.094 -0.019 0.000 1.047 181 V CA 2.388 64.674 62.300 -0.023 0.000 1.015 181 V CB -0.851 30.954 31.823 -0.031 0.000 0.642 181 V HN 0.450 nan 8.190 nan 0.000 0.446 182 T N 0.556 115.095 114.554 -0.025 0.000 2.652 182 T HA -0.133 4.233 4.350 0.027 0.000 0.267 182 T C 0.053 174.749 174.700 -0.006 0.000 1.039 182 T CA 2.289 64.379 62.100 -0.016 0.000 1.153 182 T CB -1.348 67.509 68.868 -0.017 0.000 0.863 182 T HN 0.448 nan 8.240 nan 0.000 0.428 183 P HA -0.072 nan 4.420 nan 0.000 0.215 183 P C 1.517 178.823 177.300 0.010 0.000 1.153 183 P CA 1.153 64.260 63.100 0.012 0.000 0.853 183 P CB -0.061 31.652 31.700 0.022 0.000 0.788 184 R N -0.175 120.331 120.500 0.009 0.000 2.082 184 R HA -0.115 4.241 4.340 0.027 0.000 0.234 184 R C 2.228 178.521 176.300 -0.011 0.000 1.136 184 R CA 2.176 58.280 56.100 0.008 0.000 0.935 184 R CB -0.847 29.459 30.300 0.011 0.000 0.842 184 R HN 0.071 nan 8.270 nan 0.000 0.430 185 M N 0.159 119.750 119.600 -0.014 0.000 2.202 185 M HA -0.139 4.358 4.480 0.027 0.000 0.262 185 M C 2.448 178.734 176.300 -0.024 0.000 1.063 185 M CA 1.685 56.971 55.300 -0.023 0.000 1.097 185 M CB -0.298 32.289 32.600 -0.021 0.000 1.382 185 M HN 0.421 nan 8.290 nan 0.000 0.413 186 A N 0.140 122.951 122.820 -0.015 0.000 1.877 186 A HA -0.203 4.133 4.320 0.027 0.000 0.216 186 A C 1.957 179.529 177.584 -0.019 0.000 1.186 186 A CA 2.066 54.095 52.037 -0.012 0.000 0.620 186 A CB -0.641 18.359 19.000 -0.001 0.000 0.822 186 A HN 0.418 nan 8.150 nan 0.000 0.443 187 E N -0.068 120.120 120.200 -0.019 0.000 2.077 187 E HA -0.112 4.254 4.350 0.027 0.000 0.193 187 E C 1.815 178.375 176.600 -0.068 0.000 0.989 187 E CA 1.521 57.903 56.400 -0.031 0.000 0.800 187 E CB -0.405 29.283 29.700 -0.020 0.000 0.746 187 E HN 0.244 nan 8.360 nan 0.000 0.452 188 V N 0.674 120.543 119.914 -0.076 0.000 2.407 188 V HA -0.212 3.924 4.120 0.027 0.000 0.248 188 V C 2.252 178.291 176.094 -0.092 0.000 1.055 188 V CA 1.778 64.010 62.300 -0.113 0.000 1.049 188 V CB -0.812 30.955 31.823 -0.093 0.000 0.662 188 V HN 0.430 nan 8.190 nan 0.000 0.455 189 A N -1.197 121.587 122.820 -0.059 0.000 2.167 189 A HA -0.021 4.315 4.320 0.027 0.000 0.214 189 A C 2.224 179.786 177.584 -0.038 0.000 1.151 189 A CA 1.399 53.409 52.037 -0.045 0.000 0.735 189 A CB -0.191 18.790 19.000 -0.031 0.000 0.802 189 A HN 0.472 nan 8.150 nan 0.000 0.467 190 S N -1.209 114.467 115.700 -0.041 0.000 2.539 190 S HA 0.168 4.654 4.470 0.027 0.000 0.221 190 S C 0.797 175.375 174.600 -0.036 0.000 0.987 190 S CA -0.493 57.690 58.200 -0.028 0.000 0.929 190 S CB -0.036 63.155 63.200 -0.015 0.000 0.832 190 S HN 0.606 nan 8.310 nan 0.000 0.492 191 R N 2.780 123.237 120.500 -0.071 0.000 2.370 191 R HA 0.049 4.405 4.340 0.027 0.000 0.309 191 R C -0.793 175.481 176.300 -0.044 0.000 1.059 191 R CA -0.103 55.939 56.100 -0.097 0.000 0.981 191 R CB 0.209 30.366 30.300 -0.238 0.000 0.972 191 R HN -0.055 nan 8.270 nan 0.000 0.437 192 D N 6.080 126.483 120.400 0.005 0.000 2.338 192 D HA 0.094 4.751 4.640 0.027 0.000 0.255 192 D C -1.729 174.614 176.300 0.072 0.000 1.237 192 D CA -2.319 51.702 54.000 0.034 0.000 0.883 192 D CB 1.570 42.399 40.800 0.048 0.000 1.087 192 D HN 0.339 nan 8.370 nan 0.000 0.485 193 P HA -0.153 nan 4.420 nan 0.000 0.215 193 P C 1.054 178.406 177.300 0.086 0.000 1.157 193 P CA 1.451 64.599 63.100 0.081 0.000 0.868 193 P CB 0.287 32.007 31.700 0.033 0.000 0.788 194 K N -0.591 119.832 120.400 0.039 0.000 2.026 194 K HA -0.077 4.259 4.320 0.027 0.000 0.208 194 K C 2.101 178.702 176.600 0.002 0.000 1.048 194 K CA 1.235 57.522 56.287 0.000 0.000 0.929 194 K CB -0.721 31.774 32.500 -0.009 0.000 0.713 194 K HN 0.147 nan 8.250 nan 0.000 0.439 195 L N -0.354 120.898 121.223 0.049 0.000 2.217 195 L HA -0.134 4.222 4.340 0.027 0.000 0.211 195 L C 2.392 179.331 176.870 0.115 0.000 1.107 195 L CA 0.664 55.543 54.840 0.064 0.000 0.783 195 L CB -0.321 41.788 42.059 0.083 0.000 0.919 195 L HN 0.190 nan 8.230 nan 0.000 0.442 196 Y N 0.991 121.306 120.300 0.024 0.000 2.200 196 Y HA -0.183 4.383 4.550 0.027 0.000 0.290 196 Y C 2.494 178.428 175.900 0.057 0.000 1.137 196 Y CA 1.115 59.242 58.100 0.045 0.000 1.163 196 Y CB -0.226 38.249 38.460 0.026 0.000 0.988 196 Y HN 0.073 nan 8.280 nan 0.000 0.518 197 A N -0.052 122.749 122.820 -0.031 0.000 1.972 197 A HA -0.152 4.184 4.320 0.027 0.000 0.219 197 A C 2.143 179.655 177.584 -0.119 0.000 1.169 197 A CA 1.954 53.918 52.037 -0.122 0.000 0.635 197 A CB -0.629 18.324 19.000 -0.078 0.000 0.810 197 A HN 0.574 nan 8.150 nan 0.000 0.446 198 M N -1.202 118.298 119.600 -0.165 0.000 2.382 198 M HA 0.080 4.576 4.480 0.027 0.000 0.247 198 M C 0.330 176.431 176.300 -0.333 0.000 1.104 198 M CA 0.406 55.497 55.300 -0.348 0.000 1.030 198 M CB -0.115 32.220 32.600 -0.443 0.000 1.424 198 M HN 0.770 nan 8.290 nan 0.000 0.486 199 H N -0.245 118.800 119.070 -0.042 0.000 2.166 199 H HA -0.101 4.471 4.556 0.027 0.000 0.323 199 H C -2.522 172.880 175.328 0.124 0.000 0.936 199 H CA -0.665 55.390 56.048 0.011 0.000 1.073 199 H CB -2.066 27.653 29.762 -0.073 0.000 1.592 199 H HN 0.174 nan 8.280 nan 0.000 0.346 200 P HA -0.075 nan 4.420 nan 0.000 0.266 200 P C -0.153 177.346 177.300 0.333 0.000 1.195 200 P CA 0.031 63.260 63.100 0.216 0.000 0.768 200 P CB 0.630 32.498 31.700 0.279 0.000 0.838 201 W N 4.941 126.352 121.300 0.186 0.000 2.294 201 W HA 0.483 5.159 4.660 0.026 0.000 0.314 201 W C -1.748 174.834 176.519 0.106 0.000 1.044 201 W CA -0.808 56.627 57.345 0.150 0.000 1.284 201 W CB 0.617 30.178 29.460 0.169 0.000 1.231 201 W HN 0.074 nan 8.180 nan 0.000 0.419 202 V N 4.721 124.829 119.914 0.323 0.000 3.114 202 V HA 0.643 4.779 4.120 0.027 0.000 0.308 202 V C -0.380 175.721 176.094 0.011 0.000 1.168 202 V CA -0.762 61.515 62.300 -0.038 0.000 1.015 202 V CB 2.266 33.962 31.823 -0.211 0.000 1.050 202 V HN 0.437 nan 8.190 nan 0.000 0.433 203 T N 0.346 114.848 114.554 -0.086 0.000 2.906 203 T HA 0.467 4.834 4.350 0.027 0.000 0.295 203 T C 0.463 175.130 174.700 -0.055 0.000 1.075 203 T CA 0.085 62.168 62.100 -0.028 0.000 1.005 203 T CB 2.061 70.913 68.868 -0.026 0.000 1.136 203 T HN 0.595 nan 8.240 nan 0.000 0.498 204 S N 1.061 116.751 115.700 -0.016 0.000 2.502 204 S HA 0.229 4.715 4.470 0.027 0.000 0.215 204 S C 0.442 175.033 174.600 -0.015 0.000 1.009 204 S CA -0.202 57.986 58.200 -0.020 0.000 0.908 204 S CB 0.036 63.236 63.200 -0.001 0.000 0.801 204 S HN 0.630 nan 8.310 nan 0.000 0.505 205 K N 3.165 123.559 120.400 -0.010 0.000 2.527 205 K HA 0.080 4.416 4.320 0.027 0.000 0.278 205 K C -2.619 173.964 176.600 -0.028 0.000 0.981 205 K CA -0.855 55.425 56.287 -0.012 0.000 1.009 205 K CB -0.196 32.299 32.500 -0.009 0.000 0.895 205 K HN 0.125 nan 8.250 nan 0.000 0.493 206 P HA -0.031 nan 4.420 nan 0.000 0.271 206 P C -0.244 177.024 177.300 -0.053 0.000 1.216 206 P CA -0.215 62.891 63.100 0.010 0.000 0.771 206 P CB 0.551 32.283 31.700 0.054 0.000 0.864 207 L N 5.736 126.882 121.223 -0.127 0.000 2.601 207 L HA 0.048 4.404 4.340 0.027 0.000 0.277 207 L C -1.728 174.943 176.870 -0.332 0.000 1.219 207 L CA -1.197 53.420 54.840 -0.372 0.000 0.915 207 L CB -0.042 41.537 42.059 -0.800 0.000 1.160 207 L HN 0.301 nan 8.230 nan 0.000 0.494 208 P HA -0.015 nan 4.420 nan 0.000 0.269 208 P C 0.071 177.137 177.300 -0.390 0.000 1.217 208 P CA -0.124 62.683 63.100 -0.489 0.000 0.783 208 P CB 0.503 31.575 31.700 -1.047 0.000 0.898 209 E N 1.545 121.633 120.200 -0.187 0.000 2.058 209 E HA -0.214 4.152 4.350 0.027 0.000 0.194 209 E C 1.819 178.425 176.600 0.010 0.000 0.997 209 E CA 1.779 58.211 56.400 0.052 0.000 0.801 209 E CB -0.796 28.948 29.700 0.075 0.000 0.746 209 E HN 0.675 nan 8.360 nan 0.000 0.450 210 Y N -0.146 120.188 120.300 0.056 0.000 2.639 210 Y HA 0.069 4.634 4.550 0.026 0.000 0.297 210 Y C 1.876 177.780 175.900 0.007 0.000 1.151 210 Y CA 0.391 58.507 58.100 0.027 0.000 1.335 210 Y CB -0.528 37.923 38.460 -0.015 0.000 0.994 210 Y HN -0.084 nan 8.280 nan 0.000 0.548 211 L N -2.354 118.744 121.223 -0.208 0.000 2.515 211 L HA 0.095 4.451 4.340 0.027 0.000 0.223 211 L C 1.794 178.574 176.870 -0.150 0.000 1.079 211 L CA 0.125 54.864 54.840 -0.168 0.000 0.857 211 L CB -0.304 41.562 42.059 -0.321 0.000 1.050 211 L HN 0.274 nan 8.230 nan 0.000 0.476 212 W N 1.523 122.752 121.300 -0.119 0.000 2.355 212 W HA -0.235 4.441 4.660 0.026 0.000 0.309 212 W C 2.872 179.364 176.519 -0.044 0.000 1.206 212 W CA 1.627 58.924 57.345 -0.081 0.000 1.284 212 W CB -0.019 29.390 29.460 -0.084 0.000 1.145 212 W HN 0.039 nan 8.180 nan 0.000 0.502 213 K N 0.919 121.459 120.400 0.233 0.000 2.360 213 K HA -0.149 4.187 4.320 0.027 0.000 0.201 213 K C 1.503 178.169 176.600 0.111 0.000 1.046 213 K CA 2.011 58.387 56.287 0.148 0.000 0.940 213 K CB -1.563 31.013 32.500 0.125 0.000 0.748 213 K HN 0.325 nan 8.250 nan 0.000 0.465 214 K N -0.299 120.156 120.400 0.090 0.000 2.417 214 K HA 0.627 4.963 4.320 0.027 0.000 0.196 214 K C 0.730 177.354 176.600 0.041 0.000 1.023 214 K CA 0.715 57.034 56.287 0.053 0.000 1.122 214 K CB -0.921 31.594 32.500 0.024 0.000 0.850 214 K HN 0.997 nan 8.250 nan 0.000 0.521 215 I N 0.188 120.804 120.570 0.076 0.000 2.390 215 I HA 0.818 5.004 4.170 0.027 0.000 0.283 215 I C 1.188 177.356 176.117 0.085 0.000 1.016 215 I CA -0.657 60.683 61.300 0.066 0.000 1.151 215 I CB 0.219 38.280 38.000 0.102 0.000 1.293 215 I HN 0.373 nan 8.210 nan 0.000 0.458 216 A N 3.985 126.836 122.820 0.051 0.000 1.833 216 A HA 0.153 4.489 4.320 0.027 0.000 0.215 216 A C 1.878 179.485 177.584 0.039 0.000 1.275 216 A CA 1.506 53.575 52.037 0.054 0.000 0.602 216 A CB -0.860 18.180 19.000 0.067 0.000 0.929 216 A HN 1.973 nan 8.150 nan 0.000 0.462 217 N N 0.571 119.287 118.700 0.026 0.000 2.843 217 N HA 0.221 4.977 4.740 0.027 0.000 0.284 217 N C 0.368 175.876 175.510 -0.002 0.000 1.274 217 N CA 0.569 53.629 53.050 0.017 0.000 1.045 217 N CB -0.918 37.589 38.487 0.033 0.000 1.370 217 N HN 0.604 nan 8.380 nan 0.000 0.525 218 N N -0.746 117.964 118.700 0.017 0.000 2.716 218 N HA -0.204 4.552 4.740 0.027 0.000 0.250 218 N C -0.627 174.871 175.510 -0.021 0.000 1.033 218 N CA 0.865 53.937 53.050 0.037 0.000 0.727 218 N CB -1.515 36.987 38.487 0.024 0.000 0.950 218 N HN 0.673 nan 8.380 nan 0.000 0.541 219 C N -0.096 119.142 119.300 -0.105 0.000 2.802 219 C HA 0.935 5.411 4.460 0.027 0.000 0.307 219 C C 0.077 174.810 174.990 -0.429 0.000 1.222 219 C CA -0.011 58.850 59.018 -0.262 0.000 1.580 219 C CB 1.365 28.906 27.740 -0.332 0.000 2.119 219 C HN 0.428 nan 8.230 nan 0.000 0.479 220 I N 3.185 123.463 120.570 -0.488 0.000 2.571 220 I HA 0.745 4.932 4.170 0.027 0.000 0.289 220 I C -1.001 174.852 176.117 -0.441 0.000 1.115 220 I CA -0.613 60.414 61.300 -0.455 0.000 1.045 220 I CB 0.892 38.768 38.000 -0.206 0.000 1.238 220 I HN 0.682 nan 8.210 nan 0.000 0.424 221 F N 5.726 125.664 119.950 -0.021 0.000 2.394 221 F HA 0.815 5.358 4.527 0.027 0.000 0.340 221 F C 0.338 176.108 175.800 -0.050 0.000 1.105 221 F CA -0.648 57.336 58.000 -0.028 0.000 1.124 221 F CB 1.279 40.262 39.000 -0.028 0.000 1.145 221 F HN 0.418 nan 8.300 nan 0.000 0.505 222 I N 3.161 123.811 120.570 0.133 0.000 2.608 222 I HA 0.425 4.611 4.170 0.027 0.000 0.295 222 I C -1.149 174.982 176.117 0.023 0.000 1.049 222 I CA -1.147 60.175 61.300 0.037 0.000 1.063 222 I CB 2.269 40.275 38.000 0.011 0.000 1.248 222 I HN 0.181 nan 8.210 nan 0.000 0.424 223 V N 6.439 126.337 119.914 -0.026 0.000 2.313 223 V HA 0.376 4.512 4.120 0.027 0.000 0.278 223 V C -0.138 176.048 176.094 0.153 0.000 1.017 223 V CA -0.472 61.839 62.300 0.017 0.000 0.823 223 V CB 1.053 32.840 31.823 -0.060 0.000 1.010 223 V HN 0.391 nan 8.190 nan 0.000 0.443 224 I N 4.582 125.186 120.570 0.055 0.000 2.396 224 I HA 0.443 4.629 4.170 0.027 0.000 0.292 224 I C -0.001 176.155 176.117 0.064 0.000 0.999 224 I CA 0.010 61.331 61.300 0.034 0.000 1.310 224 I CB 0.800 38.595 38.000 -0.341 0.000 1.404 224 I HN 0.538 nan 8.210 nan 0.000 0.496 225 H N 4.235 123.304 119.070 -0.002 0.000 2.489 225 H HA 0.857 5.429 4.556 0.027 0.000 0.343 225 H C 0.037 175.386 175.328 0.034 0.000 1.086 225 H CA -0.647 55.425 56.048 0.040 0.000 1.198 225 H CB 1.240 31.031 29.762 0.048 0.000 1.490 225 H HN 0.565 nan 8.280 nan 0.000 0.504 226 R N 1.671 122.255 120.500 0.140 0.000 2.507 226 R HA 0.699 5.055 4.340 0.027 0.000 0.298 226 R C 0.940 177.297 176.300 0.095 0.000 1.087 226 R CA 0.033 56.200 56.100 0.111 0.000 0.917 226 R CB -0.317 30.042 30.300 0.099 0.000 1.173 226 R HN 1.225 nan 8.270 nan 0.000 0.472 227 S N 0.378 116.135 115.700 0.094 0.000 4.158 227 S HA -0.110 4.376 4.470 0.027 0.000 0.538 227 S C 1.368 176.015 174.600 0.078 0.000 1.845 227 S CA 2.939 61.184 58.200 0.076 0.000 4.227 227 S CB -1.743 61.494 63.200 0.062 0.000 0.452 227 S HN 2.511 nan 8.310 nan 0.000 0.455 228 T N 0.580 115.171 114.554 0.062 0.000 3.331 228 T HA 0.845 5.211 4.350 0.027 0.000 0.381 228 T C 0.119 174.842 174.700 0.037 0.000 1.656 228 T CA 1.341 63.474 62.100 0.055 0.000 1.453 228 T CB -0.300 68.593 68.868 0.041 0.000 1.066 228 T HN 2.162 nan 8.240 nan 0.000 0.655 229 T N 0.161 114.734 114.554 0.031 0.000 2.894 229 T HA 0.810 5.176 4.350 0.027 0.000 0.309 229 T C -0.502 174.144 174.700 -0.089 0.000 1.208 229 T CA -0.737 61.364 62.100 0.002 0.000 1.016 229 T CB 1.201 70.095 68.868 0.044 0.000 1.192 229 T HN 0.338 nan 8.240 nan 0.000 0.491 230 S N 0.630 116.273 115.700 -0.095 0.000 2.603 230 S HA 0.790 5.276 4.470 0.027 0.000 0.274 230 S C 0.033 174.601 174.600 -0.053 0.000 1.168 230 S CA -0.152 57.933 58.200 -0.192 0.000 0.963 230 S CB 1.075 64.124 63.200 -0.251 0.000 1.078 230 S HN 1.314 nan 8.310 nan 0.000 0.477 231 Q N 0.305 120.111 119.800 0.009 0.000 2.852 231 Q HA 0.913 5.269 4.340 0.027 0.000 0.262 231 Q C -0.384 175.646 176.000 0.051 0.000 1.051 231 Q CA -0.873 54.974 55.803 0.074 0.000 0.894 231 Q CB 0.801 29.676 28.738 0.229 0.000 1.381 231 Q HN 0.639 nan 8.270 nan 0.000 0.501 232 T N 1.158 115.757 114.554 0.074 0.000 3.523 232 T HA 0.332 4.698 4.350 0.027 0.000 0.265 232 T C -1.007 173.772 174.700 0.131 0.000 0.986 232 T CA -0.285 61.856 62.100 0.069 0.000 1.616 232 T CB -0.545 68.317 68.868 -0.010 0.000 0.803 232 T HN 0.543 nan 8.240 nan 0.000 0.603 233 I N 2.619 123.285 120.570 0.160 0.000 2.517 233 I HA 0.354 4.540 4.170 0.027 0.000 0.285 233 I C 1.053 177.280 176.117 0.182 0.000 1.106 233 I CA 0.030 61.427 61.300 0.161 0.000 1.402 233 I CB -0.007 38.095 38.000 0.170 0.000 1.399 233 I HN 0.442 nan 8.210 nan 0.000 0.535 234 K N 5.915 126.433 120.400 0.197 0.000 2.368 234 K HA 0.580 4.916 4.320 0.027 0.000 0.282 234 K C -0.515 176.100 176.600 0.024 0.000 1.035 234 K CA -0.233 56.142 56.287 0.147 0.000 0.973 234 K CB 0.382 32.989 32.500 0.178 0.000 0.957 234 K HN 0.461 nan 8.250 nan 0.000 0.474 235 V N 0.940 120.816 119.914 -0.063 0.000 2.962 235 V HA 0.553 4.689 4.120 0.027 0.000 0.313 235 V C 0.205 176.259 176.094 -0.067 0.000 1.099 235 V CA -0.981 61.292 62.300 -0.045 0.000 0.971 235 V CB 2.286 34.090 31.823 -0.031 0.000 1.028 235 V HN 0.956 nan 8.190 nan 0.000 0.430 236 S N 2.698 118.383 115.700 -0.026 0.000 2.562 236 S HA 0.374 4.860 4.470 0.027 0.000 0.275 236 S C -1.695 172.908 174.600 0.006 0.000 1.281 236 S CA -1.260 56.935 58.200 -0.008 0.000 1.045 236 S CB 1.430 64.638 63.200 0.012 0.000 0.962 236 S HN 0.587 nan 8.310 nan 0.000 0.503 237 P HA -0.036 nan 4.420 nan 0.000 0.223 237 P C 0.003 177.331 177.300 0.047 0.000 1.144 237 P CA 0.987 64.100 63.100 0.022 0.000 0.783 237 P CB 0.067 31.815 31.700 0.080 0.000 0.771 238 D N -1.723 118.716 120.400 0.065 0.000 2.349 238 D HA 0.036 4.692 4.640 0.027 0.000 0.214 238 D C -0.111 176.223 176.300 0.056 0.000 1.063 238 D CA 0.304 54.343 54.000 0.065 0.000 0.847 238 D CB -0.302 40.538 40.800 0.067 0.000 0.933 238 D HN 0.140 nan 8.370 nan 0.000 0.513 239 D N 1.041 121.471 120.400 0.050 0.000 2.343 239 D HA 0.084 4.740 4.640 0.027 0.000 0.255 239 D C 0.357 176.703 176.300 0.076 0.000 1.187 239 D CA 0.332 54.360 54.000 0.047 0.000 0.875 239 D CB 0.850 41.667 40.800 0.027 0.000 1.136 239 D HN -0.211 nan 8.370 nan 0.000 0.469 240 T N 3.574 118.174 114.554 0.077 0.000 2.926 240 T HA 0.060 4.427 4.350 0.027 0.000 0.307 240 T C -1.288 173.465 174.700 0.088 0.000 1.059 240 T CA -1.069 61.096 62.100 0.108 0.000 1.122 240 T CB 0.929 69.849 68.868 0.087 0.000 0.972 240 T HN 0.221 nan 8.240 nan 0.000 0.545 241 P HA -0.078 nan 4.420 nan 0.000 0.215 241 P C 1.663 178.985 177.300 0.038 0.000 1.157 241 P CA 1.005 64.125 63.100 0.034 0.000 0.874 241 P CB -0.116 31.599 31.700 0.026 0.000 0.790 242 G N -0.062 108.777 108.800 0.065 0.000 2.422 242 G HA2 -0.245 3.731 3.960 0.027 0.000 0.218 242 G HA3 -0.245 3.731 3.960 0.027 0.000 0.218 242 G C 1.621 176.548 174.900 0.044 0.000 1.146 242 G CA 0.893 46.035 45.100 0.069 0.000 0.769 242 G HN 0.348 nan 8.290 nan 0.000 0.547 243 A N 0.257 123.097 122.820 0.033 0.000 2.067 243 A HA 0.198 4.534 4.320 0.027 0.000 0.219 243 A C 2.309 179.880 177.584 -0.021 0.000 1.158 243 A CA 0.859 52.900 52.037 0.006 0.000 0.661 243 A CB -0.197 18.814 19.000 0.018 0.000 0.801 243 A HN 0.410 nan 8.150 nan 0.000 0.452 244 I N -1.246 119.320 120.570 -0.008 0.000 2.400 244 I HA -0.128 4.058 4.170 0.027 0.000 0.248 244 I C 2.050 178.159 176.117 -0.014 0.000 1.109 244 I CA 0.621 61.915 61.300 -0.011 0.000 1.425 244 I CB -0.237 37.757 38.000 -0.010 0.000 1.094 244 I HN 0.198 nan 8.210 nan 0.000 0.425 245 L N 0.484 121.699 121.223 -0.014 0.000 2.191 245 L HA -0.214 4.142 4.340 0.027 0.000 0.212 245 L C 2.591 179.324 176.870 -0.229 0.000 1.103 245 L CA 1.571 56.420 54.840 0.015 0.000 0.769 245 L CB -0.579 41.548 42.059 0.112 0.000 0.908 245 L HN 0.285 nan 8.230 nan 0.000 0.438 246 Q N -1.354 118.263 119.800 -0.306 0.000 2.172 246 Q HA -0.173 4.183 4.340 0.027 0.000 0.200 246 Q C 2.160 177.832 176.000 -0.547 0.000 0.964 246 Q CA 1.401 56.817 55.803 -0.645 0.000 0.855 246 Q CB 0.026 28.625 28.738 -0.232 0.000 0.918 246 Q HN 0.378 nan 8.270 nan 0.000 0.444 247 S N -0.935 114.619 115.700 -0.243 0.000 2.603 247 S HA 0.011 4.497 4.470 0.027 0.000 0.220 247 S C 0.917 175.469 174.600 -0.081 0.000 0.967 247 S CA -0.114 58.003 58.200 -0.138 0.000 0.920 247 S CB -0.064 63.107 63.200 -0.049 0.000 0.773 247 S HN 0.491 nan 8.310 nan 0.000 0.529 248 F N 1.479 121.262 119.950 -0.278 0.000 2.390 248 F HA 0.184 4.727 4.527 0.027 0.000 0.281 248 F C 1.432 177.162 175.800 -0.117 0.000 1.016 248 F CA 0.560 58.467 58.000 -0.156 0.000 1.286 248 F CB -0.580 38.368 39.000 -0.086 0.000 1.134 248 F HN 0.335 nan 8.300 nan 0.000 0.597 249 F N 0.690 120.684 119.950 0.073 0.000 2.365 249 F HA 0.050 4.593 4.527 0.027 0.000 0.300 249 F C 2.301 178.042 175.800 -0.098 0.000 1.090 249 F CA 1.198 59.164 58.000 -0.056 0.000 1.408 249 F CB -2.275 36.748 39.000 0.038 0.000 1.060 249 F HN 0.067 nan 8.300 nan 0.000 0.534 250 T N -1.916 112.590 114.554 -0.080 0.000 2.809 250 T HA -0.060 4.306 4.350 0.027 0.000 0.260 250 T C 1.915 176.568 174.700 -0.079 0.000 1.039 250 T CA 0.768 62.863 62.100 -0.009 0.000 1.141 250 T CB -0.415 68.406 68.868 -0.080 0.000 0.869 250 T HN 0.141 nan 8.240 nan 0.000 0.437 251 K N 1.310 121.616 120.400 -0.157 0.000 2.063 251 K HA 0.142 4.478 4.320 0.027 0.000 0.208 251 K C 1.278 177.755 176.600 -0.205 0.000 1.048 251 K CA 1.849 58.038 56.287 -0.164 0.000 0.928 251 K CB -0.518 31.880 32.500 -0.170 0.000 0.713 251 K HN 0.766 nan 8.250 nan 0.000 0.442 267 E N 1.532 121.769 120.200 0.062 0.000 2.058 267 E HA -0.185 4.181 4.350 0.027 0.000 0.194 267 E C 1.691 178.361 176.600 0.117 0.000 0.997 267 E CA 1.785 58.162 56.400 -0.039 0.000 0.801 267 E CB -0.942 28.567 29.700 -0.318 0.000 0.746 267 E HN 0.698 nan 8.360 nan 0.000 0.450 268 Q N 0.096 119.970 119.800 0.122 0.000 2.451 268 Q HA -0.004 4.352 4.340 0.027 0.000 0.206 268 Q C 1.143 177.254 176.000 0.184 0.000 0.947 268 Q CA 0.727 56.642 55.803 0.187 0.000 0.937 268 Q CB 0.016 28.831 28.738 0.128 0.000 1.025 268 Q HN 0.539 nan 8.270 nan 0.000 0.511 269 D N 0.109 120.593 120.400 0.139 0.000 2.420 269 D HA -0.073 4.584 4.640 0.027 0.000 0.233 269 D C -0.620 175.498 176.300 -0.304 0.000 1.017 269 D CA 0.351 54.288 54.000 -0.104 0.000 0.951 269 D CB -0.044 40.622 40.800 -0.224 0.000 0.877 269 D HN 0.032 nan 8.370 nan 0.000 0.528 270 F N -1.114 118.855 119.950 0.031 0.000 2.556 270 F HA 0.499 5.042 4.527 0.027 0.000 0.327 270 F C 0.323 176.146 175.800 0.037 0.000 1.059 270 F CA -0.993 57.030 58.000 0.038 0.000 0.953 270 F CB 1.863 40.897 39.000 0.056 0.000 1.227 270 F HN -0.418 nan 8.300 nan 0.000 0.478 271 V N 2.593 122.630 119.914 0.205 0.000 3.087 271 V HA 0.490 4.627 4.120 0.027 0.000 0.306 271 V C -1.353 174.812 176.094 0.119 0.000 1.187 271 V CA -0.952 61.425 62.300 0.128 0.000 0.999 271 V CB 2.592 34.457 31.823 0.070 0.000 1.049 271 V HN 0.584 nan 8.190 nan 0.000 0.431 272 L N 5.536 126.796 121.223 0.063 0.000 2.283 272 L HA 0.592 4.948 4.340 0.027 0.000 0.287 272 L C 0.211 177.068 176.870 -0.022 0.000 1.073 272 L CA -0.086 54.749 54.840 -0.009 0.000 0.822 272 L CB 0.788 42.799 42.059 -0.081 0.000 1.186 272 L HN 0.538 nan 8.230 nan 0.000 0.436 273 R N 2.937 123.383 120.500 -0.090 0.000 2.445 273 R HA 0.460 4.816 4.340 0.027 0.000 0.308 273 R C -0.864 175.240 176.300 -0.326 0.000 0.961 273 R CA -0.728 55.179 56.100 -0.320 0.000 0.862 273 R CB 1.903 31.960 30.300 -0.406 0.000 1.144 273 R HN 0.335 nan 8.270 nan 0.000 0.447 274 V N 4.326 123.975 119.914 -0.442 0.000 2.694 274 V HA -0.076 4.060 4.120 0.027 0.000 0.306 274 V C 0.453 176.333 176.094 -0.357 0.000 1.054 274 V CA -0.105 61.936 62.300 -0.432 0.000 1.161 274 V CB 0.412 31.733 31.823 -0.837 0.000 0.916 274 V HN 0.839 nan 8.190 nan 0.000 0.490 275 C N 5.490 124.656 119.300 -0.223 0.000 2.638 275 C HA 0.454 4.930 4.460 0.027 0.000 0.410 275 C C 1.699 176.576 174.990 -0.188 0.000 1.404 275 C CA 0.739 59.636 59.018 -0.202 0.000 1.651 275 C CB -1.107 26.510 27.740 -0.206 0.000 2.495 275 C HN 1.338 nan 8.230 nan 0.000 0.606 276 G N 3.855 112.543 108.800 -0.186 0.000 2.284 276 G HA2 -0.207 3.769 3.960 0.027 0.000 0.247 276 G HA3 -0.207 3.769 3.960 0.027 0.000 0.247 276 G C 0.210 174.989 174.900 -0.202 0.000 1.012 276 G CA 0.085 45.091 45.100 -0.156 0.000 0.618 276 G HN 0.719 nan 8.290 nan 0.000 0.521 277 R N 0.333 120.654 120.500 -0.297 0.000 2.720 277 R HA 0.428 4.784 4.340 0.027 0.000 0.272 277 R C -0.544 175.527 176.300 -0.380 0.000 0.991 277 R CA -0.607 55.281 56.100 -0.353 0.000 1.010 277 R CB 0.910 30.895 30.300 -0.525 0.000 1.141 277 R HN 0.100 nan 8.270 nan 0.000 0.494 278 D N 1.559 121.774 120.400 -0.308 0.000 2.870 278 D HA 0.003 4.659 4.640 0.027 0.000 0.241 278 D C -0.784 175.334 176.300 -0.304 0.000 1.234 278 D CA 0.262 54.100 54.000 -0.270 0.000 0.844 278 D CB 0.300 41.032 40.800 -0.112 0.000 1.051 278 D HN 0.303 nan 8.370 nan 0.000 0.469 279 E N -0.027 119.858 120.200 -0.524 0.000 2.183 279 E HA 0.282 4.648 4.350 0.027 0.000 0.271 279 E C -1.516 174.696 176.600 -0.647 0.000 0.919 279 E CA -0.581 55.547 56.400 -0.453 0.000 0.781 279 E CB 0.984 30.417 29.700 -0.445 0.000 1.140 279 E HN 0.052 nan 8.360 nan 0.000 0.402 280 Y N 3.093 123.233 120.300 -0.267 0.000 2.341 280 Y HA 0.372 4.938 4.550 0.027 0.000 0.338 280 Y C -0.347 175.448 175.900 -0.174 0.000 0.965 280 Y CA -0.857 57.112 58.100 -0.218 0.000 1.108 280 Y CB 1.351 39.681 38.460 -0.217 0.000 1.180 280 Y HN 0.340 nan 8.280 nan 0.000 0.458 281 L N 6.206 127.351 121.223 -0.129 0.000 2.352 281 L HA 0.505 4.861 4.340 0.027 0.000 0.272 281 L C -0.369 176.336 176.870 -0.275 0.000 1.109 281 L CA -0.597 53.968 54.840 -0.460 0.000 0.952 281 L CB -0.364 41.335 42.059 -0.599 0.000 1.314 281 L HN 0.470 nan 8.230 nan 0.000 0.427 282 V N -0.542 119.388 119.914 0.027 0.000 3.182 282 V HA 1.067 5.203 4.120 0.027 0.000 0.308 282 V C 0.090 176.375 176.094 0.318 0.000 1.240 282 V CA -0.025 62.360 62.300 0.141 0.000 1.063 282 V CB 1.619 33.493 31.823 0.084 0.000 1.076 282 V HN 0.759 nan 8.190 nan 0.000 0.446 283 G N 1.014 109.937 108.800 0.204 0.000 2.712 283 G HA2 -0.020 3.956 3.960 0.027 0.000 0.683 283 G HA3 -0.020 3.956 3.960 0.027 0.000 0.683 283 G C -0.630 174.376 174.900 0.177 0.000 1.320 283 G CA -0.087 45.117 45.100 0.173 0.000 0.847 283 G HN 1.221 nan 8.290 nan 0.000 0.553 284 E N 1.158 121.423 120.200 0.107 0.000 1.972 284 E HA 0.395 4.761 4.350 0.027 0.000 0.292 284 E C 0.135 176.767 176.600 0.053 0.000 1.193 284 E CA 0.364 56.815 56.400 0.084 0.000 1.228 284 E CB 0.102 29.836 29.700 0.056 0.000 1.167 284 E HN 0.528 nan 8.360 nan 0.000 0.479 285 T N 2.165 116.768 114.554 0.082 0.000 2.921 285 T HA 0.336 4.702 4.350 0.027 0.000 0.297 285 T C -2.641 172.107 174.700 0.080 0.000 1.013 285 T CA -1.699 60.373 62.100 -0.047 0.000 0.990 285 T CB 2.085 70.695 68.868 -0.431 0.000 1.023 285 T HN -0.015 nan 8.240 nan 0.000 0.447 286 P HA 0.097 nan 4.420 nan 0.000 0.264 286 P C 0.756 178.160 177.300 0.174 0.000 1.183 286 P CA -0.268 62.881 63.100 0.081 0.000 0.763 286 P CB 0.414 32.131 31.700 0.028 0.000 0.807 287 I N 3.845 124.547 120.570 0.221 0.000 2.850 287 I HA -0.212 3.974 4.170 0.027 0.000 0.266 287 I C 1.833 178.072 176.117 0.204 0.000 1.257 287 I CA 1.398 62.877 61.300 0.297 0.000 1.465 287 I CB -0.556 37.507 38.000 0.106 0.000 1.091 287 I HN 0.328 nan 8.210 nan 0.000 0.467 288 K N -1.177 119.260 120.400 0.062 0.000 2.365 288 K HA 0.050 4.386 4.320 0.027 0.000 0.197 288 K C 0.725 177.277 176.600 -0.080 0.000 1.042 288 K CA 0.749 56.994 56.287 -0.070 0.000 0.987 288 K CB -0.144 32.251 32.500 -0.174 0.000 0.779 288 K HN 0.144 nan 8.250 nan 0.000 0.484 289 N N 0.465 119.135 118.700 -0.050 0.000 2.320 289 N HA 0.197 4.953 4.740 0.027 0.000 0.237 289 N C -1.391 173.957 175.510 -0.271 0.000 1.129 289 N CA -0.156 52.798 53.050 -0.159 0.000 0.854 289 N CB 0.104 38.482 38.487 -0.182 0.000 1.083 289 N HN 0.060 nan 8.380 nan 0.000 0.504 290 F N 0.477 120.388 119.950 -0.064 0.000 2.422 290 F HA 0.297 4.840 4.527 0.027 0.000 0.333 290 F C 1.745 177.463 175.800 -0.136 0.000 1.095 290 F CA -0.717 57.253 58.000 -0.051 0.000 1.038 290 F CB 1.566 40.577 39.000 0.018 0.000 1.156 290 F HN -0.142 nan 8.300 nan 0.000 0.483 291 Q N 2.592 122.324 119.800 -0.114 0.000 2.079 291 Q HA -0.224 4.133 4.340 0.027 0.000 0.200 291 Q C 2.156 178.044 176.000 -0.187 0.000 0.974 291 Q CA 1.430 56.972 55.803 -0.435 0.000 0.840 291 Q CB -0.393 27.495 28.738 -1.418 0.000 0.898 291 Q HN 0.872 nan 8.270 nan 0.000 0.430 292 W N 0.714 121.914 121.300 -0.167 0.000 2.358 292 W HA -0.167 4.509 4.660 0.027 0.000 0.303 292 W C 1.630 178.161 176.519 0.021 0.000 1.208 292 W CA 1.297 58.617 57.345 -0.040 0.000 1.274 292 W CB 0.157 29.615 29.460 -0.004 0.000 1.138 292 W HN -0.062 nan 8.180 nan 0.000 0.515 293 V N 1.507 121.470 119.914 0.081 0.000 2.407 293 V HA -0.265 3.871 4.120 0.027 0.000 0.248 293 V C 2.419 178.430 176.094 -0.138 0.000 1.055 293 V CA 1.879 64.156 62.300 -0.038 0.000 1.049 293 V CB -0.811 31.040 31.823 0.047 0.000 0.662 293 V HN 0.142 nan 8.190 nan 0.000 0.455 294 R N -0.760 119.663 120.500 -0.128 0.000 2.189 294 R HA -0.106 4.250 4.340 0.027 0.000 0.218 294 R C 2.229 178.429 176.300 -0.167 0.000 1.074 294 R CA 1.237 57.238 56.100 -0.164 0.000 0.991 294 R CB -0.385 29.817 30.300 -0.163 0.000 0.883 294 R HN 0.690 nan 8.270 nan 0.000 0.457 295 H N 0.206 119.090 119.070 -0.310 0.000 2.307 295 H HA -0.059 4.514 4.556 0.027 0.000 0.303 295 H C 1.965 177.063 175.328 -0.384 0.000 1.073 295 H CA 1.810 57.642 56.048 -0.360 0.000 1.338 295 H CB -0.317 29.143 29.762 -0.503 0.000 1.389 295 H HN 0.059 nan 8.280 nan 0.000 0.503 296 C N 0.604 119.522 119.300 -0.637 0.000 2.413 296 C HA -0.125 4.351 4.460 0.027 0.000 0.276 296 C C 3.317 178.104 174.990 -0.337 0.000 1.248 296 C CA 1.422 60.117 59.018 -0.539 0.000 1.742 296 C CB -1.528 25.978 27.740 -0.390 0.000 2.017 296 C HN 0.695 nan 8.230 nan 0.000 0.481 297 L N 1.038 122.107 121.223 -0.256 0.000 2.012 297 L HA -0.151 4.206 4.340 0.027 0.000 0.210 297 L C 2.557 179.342 176.870 -0.143 0.000 1.073 297 L CA 2.811 57.549 54.840 -0.170 0.000 0.748 297 L CB -1.568 40.391 42.059 -0.167 0.000 0.891 297 L HN 0.562 nan 8.230 nan 0.000 0.431 298 K N -0.662 119.642 120.400 -0.160 0.000 2.063 298 K HA -0.214 4.122 4.320 0.027 0.000 0.208 298 K C 1.679 178.200 176.600 -0.132 0.000 1.048 298 K CA 1.910 58.139 56.287 -0.097 0.000 0.928 298 K CB -0.109 32.346 32.500 -0.075 0.000 0.713 298 K HN 0.649 nan 8.250 nan 0.000 0.442 299 N N -0.092 118.454 118.700 -0.257 0.000 2.314 299 N HA 0.080 4.836 4.740 0.027 0.000 0.200 299 N C -0.092 175.326 175.510 -0.153 0.000 1.135 299 N CA 0.790 53.703 53.050 -0.227 0.000 0.835 299 N CB 0.787 39.048 38.487 -0.377 0.000 0.989 299 N HN 0.380 nan 8.380 nan 0.000 0.478 300 G N 0.777 109.502 108.800 -0.125 0.000 2.395 300 G HA2 -0.307 3.669 3.960 0.027 0.000 0.300 300 G HA3 -0.307 3.669 3.960 0.027 0.000 0.300 300 G C -0.223 174.641 174.900 -0.060 0.000 0.998 300 G CA 0.389 45.449 45.100 -0.068 0.000 1.046 300 G HN 0.405 nan 8.290 nan 0.000 0.513 301 E N -0.406 119.730 120.200 -0.107 0.000 2.222 301 E HA 0.431 4.797 4.350 0.027 0.000 0.267 301 E C 0.171 176.765 176.600 -0.010 0.000 0.963 301 E CA -0.801 55.566 56.400 -0.055 0.000 0.837 301 E CB 1.177 30.814 29.700 -0.106 0.000 1.183 301 E HN 0.537 nan 8.360 nan 0.000 0.403 302 E N 1.417 121.666 120.200 0.082 0.000 2.313 302 E HA 0.184 4.550 4.350 0.027 0.000 0.276 302 E C -0.384 176.257 176.600 0.069 0.000 1.031 302 E CA -0.151 56.285 56.400 0.060 0.000 0.857 302 E CB 0.874 30.630 29.700 0.093 0.000 1.040 302 E HN 0.321 nan 8.360 nan 0.000 0.408 303 I N 4.482 125.042 120.570 -0.016 0.000 2.278 303 I HA 0.031 4.217 4.170 0.027 0.000 0.300 303 I C 0.146 176.278 176.117 0.025 0.000 1.174 303 I CA -0.123 61.222 61.300 0.076 0.000 1.347 303 I CB -0.417 37.616 38.000 0.055 0.000 1.473 303 I HN 0.320 nan 8.210 nan 0.000 0.595 304 H N 5.603 124.781 119.070 0.180 0.000 2.668 304 H HA 0.389 4.961 4.556 0.027 0.000 0.303 304 H C -0.501 174.837 175.328 0.017 0.000 1.074 304 H CA -0.314 55.804 56.048 0.117 0.000 1.406 304 H CB 1.700 31.493 29.762 0.051 0.000 1.442 304 H HN 0.214 nan 8.280 nan 0.000 0.482 305 V N 4.838 124.808 119.914 0.094 0.000 2.525 305 V HA 0.067 4.203 4.120 0.027 0.000 0.299 305 V C 0.188 176.284 176.094 0.003 0.000 1.034 305 V CA -0.818 61.475 62.300 -0.012 0.000 0.863 305 V CB 2.244 34.043 31.823 -0.040 0.000 0.999 305 V HN 0.451 nan 8.190 nan 0.000 0.423 306 V N 5.816 125.686 119.914 -0.073 0.000 2.649 306 V HA 0.712 4.848 4.120 0.027 0.000 0.292 306 V C 0.236 176.327 176.094 -0.005 0.000 1.055 306 V CA 0.060 62.352 62.300 -0.014 0.000 1.023 306 V CB 1.377 33.169 31.823 -0.051 0.000 0.992 306 V HN 1.003 nan 8.190 nan 0.000 0.480 307 L N 6.480 127.720 121.223 0.029 0.000 2.262 307 L HA 0.849 5.205 4.340 0.027 0.000 0.288 307 L C -0.191 176.783 176.870 0.173 0.000 1.035 307 L CA -0.382 54.491 54.840 0.055 0.000 0.820 307 L CB 0.509 42.547 42.059 -0.036 0.000 1.204 307 L HN 0.965 nan 8.230 nan 0.000 0.424 308 D N 0.792 121.307 120.400 0.192 0.000 2.958 308 D HA 0.498 5.154 4.640 0.027 0.000 0.306 308 D C -0.364 176.000 176.300 0.106 0.000 1.226 308 D CA -0.148 53.969 54.000 0.195 0.000 1.032 308 D CB 1.062 41.925 40.800 0.105 0.000 1.400 308 D HN 0.314 nan 8.370 nan 0.000 0.587 309 T N 1.106 115.646 114.554 -0.024 0.000 2.845 309 T HA 0.497 4.863 4.350 0.027 0.000 0.288 309 T C -2.386 172.266 174.700 -0.080 0.000 0.980 309 T CA -0.861 61.146 62.100 -0.155 0.000 1.071 309 T CB 1.038 69.782 68.868 -0.206 0.000 0.941 309 T HN 0.180 nan 8.240 nan 0.000 0.487 310 P HA 0.103 nan 4.420 nan 0.000 0.263 310 P C -2.195 175.015 177.300 -0.149 0.000 1.175 310 P CA -0.888 62.118 63.100 -0.157 0.000 0.761 310 P CB -0.397 31.218 31.700 -0.142 0.000 0.794 311 P HA 0.045 nan 4.420 nan 0.000 0.271 311 P C -0.474 176.762 177.300 -0.107 0.000 1.218 311 P CA 0.067 63.089 63.100 -0.130 0.000 0.780 311 P CB 0.507 32.110 31.700 -0.162 0.000 0.901 312 D N 3.243 123.600 120.400 -0.071 0.000 2.346 312 D HA 0.090 4.746 4.640 0.027 0.000 0.260 312 D C -1.500 174.775 176.300 -0.042 0.000 1.252 312 D CA -2.000 51.966 54.000 -0.056 0.000 0.895 312 D CB 0.375 41.146 40.800 -0.047 0.000 1.097 312 D HN 0.107 nan 8.370 nan 0.000 0.489 313 P HA -0.065 nan 4.420 nan 0.000 0.226 313 P C 0.665 177.967 177.300 0.003 0.000 1.146 313 P CA 0.727 63.825 63.100 -0.003 0.000 0.773 313 P CB 0.210 31.909 31.700 -0.001 0.000 0.772 314 A N -0.946 121.865 122.820 -0.015 0.000 2.167 314 A HA -0.038 4.299 4.320 0.027 0.000 0.214 314 A C 1.935 179.508 177.584 -0.017 0.000 1.151 314 A CA 0.783 52.810 52.037 -0.017 0.000 0.735 314 A CB -1.270 17.714 19.000 -0.026 0.000 0.802 314 A HN 0.168 nan 8.150 nan 0.000 0.467 315 L N -0.732 120.480 121.223 -0.017 0.000 2.313 315 L HA -0.037 4.319 4.340 0.027 0.000 0.214 315 L C 0.755 177.624 176.870 -0.002 0.000 1.119 315 L CA 0.626 55.453 54.840 -0.021 0.000 0.809 315 L CB -0.166 41.875 42.059 -0.030 0.000 0.933 315 L HN 0.201 nan 8.230 nan 0.000 0.449 316 D N 0.033 120.450 120.400 0.028 0.000 2.336 316 D HA -0.011 4.645 4.640 0.027 0.000 0.228 316 D C 0.670 177.005 176.300 0.059 0.000 1.120 316 D CA 0.101 54.152 54.000 0.085 0.000 0.839 316 D CB 0.085 41.011 40.800 0.210 0.000 0.932 316 D HN 0.354 nan 8.370 nan 0.000 0.509 317 E N 0.839 121.048 120.200 0.015 0.000 2.437 317 E HA 0.039 4.405 4.350 0.027 0.000 0.263 317 E C -0.637 175.954 176.600 -0.016 0.000 1.030 317 E CA 0.121 56.515 56.400 -0.009 0.000 0.934 317 E CB 0.848 30.533 29.700 -0.025 0.000 0.943 317 E HN -0.216 nan 8.360 nan 0.000 0.444 318 V N 5.091 124.983 119.914 -0.035 0.000 2.459 318 V HA 0.247 4.383 4.120 0.027 0.000 0.295 318 V C 0.410 176.455 176.094 -0.082 0.000 1.029 318 V CA -0.684 61.589 62.300 -0.045 0.000 0.874 318 V CB 1.445 33.238 31.823 -0.049 0.000 0.985 318 V HN 0.670 nan 8.190 nan 0.000 0.438 319 R N 3.495 123.918 120.500 -0.129 0.000 2.345 319 R HA 0.335 4.692 4.340 0.027 0.000 0.331 319 R C 0.191 176.370 176.300 -0.202 0.000 1.067 319 R CA -0.098 55.862 56.100 -0.233 0.000 0.962 319 R CB 0.056 30.059 30.300 -0.494 0.000 0.987 319 R HN 0.830 nan 8.270 nan 0.000 0.451 320 K N 3.181 123.495 120.400 -0.143 0.000 2.355 320 K HA 0.040 4.376 4.320 0.027 0.000 0.270 320 K C 0.019 176.556 176.600 -0.105 0.000 1.003 320 K CA 0.022 56.249 56.287 -0.101 0.000 0.957 320 K CB 0.552 33.007 32.500 -0.076 0.000 0.939 320 K HN 0.749 nan 8.250 nan 0.000 0.482 356 D N 3.973 123.971 120.400 -0.669 0.000 2.591 356 D HA 0.552 5.208 4.640 0.027 0.000 0.222 356 D C -0.010 176.059 176.300 -0.385 0.000 1.360 356 D CA -0.053 53.625 54.000 -0.538 0.000 0.967 356 D CB 0.491 40.652 40.800 -1.065 0.000 1.456 356 D HN 0.743 nan 8.370 nan 0.000 0.588 357 C N -0.869 118.320 119.300 -0.187 0.000 2.536 357 C HA 0.823 5.299 4.460 0.027 0.000 0.385 357 C C 1.305 176.232 174.990 -0.105 0.000 2.253 357 C CA -0.279 58.657 59.018 -0.137 0.000 1.823 357 C CB 0.930 28.618 27.740 -0.086 0.000 2.000 357 C HN 0.645 nan 8.230 nan 0.000 0.444 358 D N -0.686 119.669 120.400 -0.076 0.000 2.349 358 D HA 0.130 4.786 4.640 0.027 0.000 0.214 358 D C 0.918 177.199 176.300 -0.032 0.000 1.063 358 D CA -0.139 53.830 54.000 -0.053 0.000 0.847 358 D CB -0.052 40.718 40.800 -0.051 0.000 0.933 358 D HN 0.478 nan 8.370 nan 0.000 0.513 359 R N 1.022 121.502 120.500 -0.033 0.000 2.698 359 R HA 0.032 4.388 4.340 0.027 0.000 0.266 359 R C -0.296 176.012 176.300 0.012 0.000 1.026 359 R CA 0.066 56.152 56.100 -0.024 0.000 1.102 359 R CB 0.534 30.808 30.300 -0.043 0.000 0.978 359 R HN -0.149 nan 8.270 nan 0.000 0.436 360 K N 3.322 123.738 120.400 0.026 0.000 2.270 360 K HA 0.022 4.358 4.320 0.027 0.000 0.276 360 K C -0.146 176.535 176.600 0.136 0.000 1.023 360 K CA -0.322 56.020 56.287 0.092 0.000 0.955 360 K CB 0.449 33.005 32.500 0.094 0.000 0.975 360 K HN 0.434 nan 8.250 nan 0.000 0.471 361 F N 4.122 124.117 119.950 0.075 0.000 2.602 361 F HA -0.034 4.509 4.527 0.027 0.000 0.367 361 F C 0.411 176.348 175.800 0.228 0.000 1.126 361 F CA 0.359 58.411 58.000 0.086 0.000 1.321 361 F CB 0.499 39.483 39.000 -0.026 0.000 1.094 361 F HN 0.502 nan 8.300 nan 0.000 0.594 362 R N 5.575 125.628 120.500 -0.746 0.000 2.626 362 R HA 0.745 5.101 4.340 0.027 0.000 0.274 362 R C -2.467 173.560 176.300 -0.456 0.000 1.031 362 R CA -1.055 54.853 56.100 -0.319 0.000 0.898 362 R CB 1.486 31.747 30.300 -0.065 0.000 1.222 362 R HN 0.630 nan 8.270 nan 0.000 0.455 363 V N 1.963 121.896 119.914 0.032 0.000 2.735 363 V HA 0.515 4.651 4.120 0.027 0.000 0.310 363 V C -1.207 174.940 176.094 0.088 0.000 1.061 363 V CA -0.866 61.498 62.300 0.107 0.000 0.913 363 V CB 2.159 34.108 31.823 0.210 0.000 1.005 363 V HN 0.894 nan 8.190 nan 0.000 0.428 364 K N 6.419 126.667 120.400 -0.252 0.000 2.253 364 K HA 0.553 4.889 4.320 0.027 0.000 0.277 364 K C -0.864 175.551 176.600 -0.307 0.000 1.053 364 K CA -0.265 55.623 56.287 -0.666 0.000 0.892 364 K CB 0.920 32.580 32.500 -1.400 0.000 1.102 364 K HN 0.699 nan 8.250 nan 0.000 0.469 365 I N 7.039 127.485 120.570 -0.208 0.000 2.291 365 I HA 0.171 4.357 4.170 0.027 0.000 0.292 365 I C 1.199 177.297 176.117 -0.033 0.000 1.064 365 I CA -0.540 60.705 61.300 -0.091 0.000 1.269 365 I CB 0.959 38.901 38.000 -0.096 0.000 1.418 365 I HN 0.697 nan 8.210 nan 0.000 0.485 366 R N 4.601 125.084 120.500 -0.029 0.000 2.055 366 R HA 0.253 4.609 4.340 0.027 0.000 0.226 366 R C 0.928 177.290 176.300 0.103 0.000 1.135 366 R CA 0.565 56.663 56.100 -0.004 0.000 0.959 366 R CB -0.095 30.181 30.300 -0.040 0.000 0.854 366 R HN 0.777 nan 8.270 nan 0.000 0.431 367 G N 0.655 109.540 108.800 0.142 0.000 2.315 367 G HA2 0.352 4.328 3.960 0.027 0.000 0.294 367 G HA3 0.352 4.328 3.960 0.027 0.000 0.294 367 G C -1.437 173.562 174.900 0.165 0.000 1.300 367 G CA -0.702 44.535 45.100 0.229 0.000 0.843 367 G HN 0.191 nan 8.290 nan 0.000 0.527 368 I N -2.782 117.884 120.570 0.161 0.000 2.957 368 I HA 0.915 5.101 4.170 0.027 0.000 0.310 368 I C -1.700 174.426 176.117 0.014 0.000 1.063 368 I CA -0.976 60.367 61.300 0.073 0.000 1.033 368 I CB 2.805 40.872 38.000 0.112 0.000 1.230 368 I HN 0.381 nan 8.210 nan 0.000 0.447 369 D N 3.189 123.570 120.400 -0.031 0.000 2.452 369 D HA 0.423 5.080 4.640 0.027 0.000 0.226 369 D C -1.837 174.432 176.300 -0.052 0.000 1.366 369 D CA -0.099 53.880 54.000 -0.034 0.000 0.986 369 D CB 2.397 43.173 40.800 -0.040 0.000 1.420 369 D HN 0.629 nan 8.370 nan 0.000 0.583 370 I N 4.910 125.456 120.570 -0.040 0.000 2.406 370 I HA 0.442 4.628 4.170 0.027 0.000 0.290 370 I C -1.871 174.222 176.117 -0.040 0.000 0.999 370 I CA -2.358 58.911 61.300 -0.051 0.000 1.124 370 I CB 2.218 40.182 38.000 -0.059 0.000 1.289 370 I HN 0.076 nan 8.210 nan 0.000 0.441 371 P HA -0.088 nan 4.420 nan 0.000 0.215 371 P C -0.493 176.786 177.300 -0.036 0.000 1.153 371 P CA 1.086 64.170 63.100 -0.027 0.000 0.853 371 P CB 0.072 31.762 31.700 -0.016 0.000 0.788 372 V N -0.244 119.651 119.914 -0.032 0.000 2.577 372 V HA 0.188 4.324 4.120 0.027 0.000 0.303 372 V C 0.405 176.470 176.094 -0.048 0.000 1.042 372 V CA -0.910 61.366 62.300 -0.040 0.000 0.872 372 V CB 1.893 33.705 31.823 -0.019 0.000 0.998 372 V HN -0.099 nan 8.190 nan 0.000 0.423 379 L N 0.324 121.675 121.223 0.214 0.000 3.259 379 L HA 0.828 5.184 4.340 0.027 0.000 0.292 379 L C 0.899 177.927 176.870 0.263 0.000 1.219 379 L CA 0.983 55.970 54.840 0.245 0.000 1.035 379 L CB 0.124 42.268 42.059 0.141 0.000 1.424 379 L HN 0.377 nan 8.230 nan 0.000 0.603 380 T N -0.475 114.211 114.554 0.220 0.000 2.887 380 T HA 0.796 5.162 4.350 0.027 0.000 0.288 380 T C -1.239 173.532 174.700 0.118 0.000 1.021 380 T CA -0.451 61.763 62.100 0.189 0.000 1.000 380 T CB 1.788 70.765 68.868 0.181 0.000 1.034 380 T HN 0.431 nan 8.240 nan 0.000 0.467 381 V N 4.708 124.706 119.914 0.141 0.000 3.012 381 V HA 0.786 4.922 4.120 0.027 0.000 0.307 381 V C -1.449 174.850 176.094 0.342 0.000 1.166 381 V CA -0.857 61.451 62.300 0.012 0.000 0.974 381 V CB 1.971 33.597 31.823 -0.329 0.000 1.040 381 V HN 0.917 nan 8.190 nan 0.000 0.428 382 F N 2.194 122.226 119.950 0.137 0.000 2.619 382 F HA 0.891 5.434 4.527 0.027 0.000 0.308 382 F C -1.105 174.615 175.800 -0.133 0.000 1.097 382 F CA -1.230 56.781 58.000 0.018 0.000 0.953 382 F CB 1.530 40.533 39.000 0.005 0.000 1.287 382 F HN 0.168 nan 8.300 nan 0.000 0.446 383 V N 1.812 121.550 119.914 -0.293 0.000 2.407 383 V HA 0.337 4.473 4.120 0.027 0.000 0.278 383 V C -0.339 175.763 176.094 0.013 0.000 1.037 383 V CA -0.506 61.663 62.300 -0.219 0.000 0.900 383 V CB 1.279 32.857 31.823 -0.407 0.000 0.983 383 V HN 0.881 nan 8.190 nan 0.000 0.459 384 E N 3.446 123.738 120.200 0.155 0.000 2.151 384 E HA 0.672 5.038 4.350 0.027 0.000 0.275 384 E C -0.683 176.018 176.600 0.169 0.000 0.936 384 E CA -0.709 55.822 56.400 0.218 0.000 0.777 384 E CB 1.625 31.556 29.700 0.386 0.000 1.108 384 E HN 0.803 nan 8.360 nan 0.000 0.401 385 A N 5.224 128.152 122.820 0.180 0.000 2.273 385 A HA 0.419 4.755 4.320 0.027 0.000 0.315 385 A C -0.785 176.994 177.584 0.326 0.000 1.256 385 A CA -0.847 51.346 52.037 0.260 0.000 0.851 385 A CB 0.561 19.793 19.000 0.387 0.000 1.172 385 A HN 0.641 nan 8.150 nan 0.000 0.508 386 N N 2.186 121.007 118.700 0.202 0.000 2.399 386 N HA 0.376 5.132 4.740 0.027 0.000 0.295 386 N C -0.767 174.756 175.510 0.021 0.000 1.048 386 N CA -0.433 52.707 53.050 0.150 0.000 0.886 386 N CB 1.715 40.263 38.487 0.101 0.000 1.185 386 N HN 0.469 nan 8.380 nan 0.000 0.487 387 I N 2.316 122.859 120.570 -0.044 0.000 2.291 387 I HA 0.182 4.368 4.170 0.027 0.000 0.292 387 I C 0.427 176.499 176.117 -0.075 0.000 1.064 387 I CA -0.074 61.113 61.300 -0.187 0.000 1.269 387 I CB 0.083 37.886 38.000 -0.328 0.000 1.418 387 I HN 0.239 nan 8.210 nan 0.000 0.485 388 Q N 4.715 124.476 119.800 -0.064 0.000 2.309 388 Q HA 0.448 4.804 4.340 0.027 0.000 0.264 388 Q C -0.986 175.012 176.000 -0.002 0.000 1.008 388 Q CA -0.718 55.071 55.803 -0.024 0.000 0.853 388 Q CB 2.755 31.473 28.738 -0.033 0.000 1.314 388 Q HN 0.509 nan 8.270 nan 0.000 0.448 389 H N -0.502 118.507 119.070 -0.101 0.000 3.172 389 H HA 0.355 4.927 4.556 0.026 0.000 0.322 389 H C 0.079 175.293 175.328 -0.189 0.000 1.003 389 H CA 0.588 56.544 56.048 -0.154 0.000 1.466 389 H CB 0.992 30.671 29.762 -0.137 0.000 1.673 389 H HN 0.868 nan 8.280 nan 0.000 0.512 390 G N 4.193 112.744 108.800 -0.416 0.000 2.314 390 G HA2 -0.302 3.674 3.960 0.027 0.000 0.292 390 G HA3 -0.302 3.674 3.960 0.027 0.000 0.292 390 G C 0.522 175.314 174.900 -0.180 0.000 1.059 390 G CA 0.795 45.691 45.100 -0.339 0.000 0.982 390 G HN 0.830 nan 8.290 nan 0.000 0.505 391 Q N -4.679 115.057 119.800 -0.106 0.000 2.258 391 Q HA -0.291 4.065 4.340 0.027 0.000 0.167 391 Q C 1.122 177.115 176.000 -0.012 0.000 0.586 391 Q CA 2.834 58.618 55.803 -0.031 0.000 1.398 391 Q CB -1.952 26.799 28.738 0.021 0.000 1.415 391 Q HN 2.180 nan 8.270 nan 0.000 0.903 392 Q N 0.919 120.712 119.800 -0.013 0.000 2.261 392 Q HA 0.544 4.900 4.340 0.027 0.000 0.252 392 Q C 0.270 176.286 176.000 0.027 0.000 0.915 392 Q CA 0.285 56.100 55.803 0.020 0.000 0.915 392 Q CB 0.732 29.502 28.738 0.053 0.000 1.204 392 Q HN 0.489 nan 8.270 nan 0.000 0.421 393 V N 1.495 121.424 119.914 0.024 0.000 2.368 393 V HA 0.383 4.519 4.120 0.027 0.000 0.266 393 V C 0.944 177.059 176.094 0.035 0.000 1.045 393 V CA -0.365 61.952 62.300 0.029 0.000 0.899 393 V CB -0.134 31.707 31.823 0.031 0.000 1.006 393 V HN 0.937 nan 8.190 nan 0.000 0.470 394 L N 2.644 123.886 121.223 0.032 0.000 2.179 394 L HA 0.214 4.570 4.340 0.027 0.000 0.208 394 L C 0.963 177.863 176.870 0.049 0.000 1.096 394 L CA 0.960 55.815 54.840 0.026 0.000 0.779 394 L CB 0.031 42.089 42.059 -0.002 0.000 0.922 394 L HN 0.742 nan 8.230 nan 0.000 0.443 395 C N -1.191 118.162 119.300 0.088 0.000 3.284 395 C HA 0.403 4.879 4.460 0.027 0.000 0.338 395 C C -1.242 173.921 174.990 0.287 0.000 1.237 395 C CA -0.745 58.390 59.018 0.196 0.000 1.276 395 C CB 2.088 30.017 27.740 0.316 0.000 1.601 395 C HN 0.410 nan 8.230 nan 0.000 0.494 396 Q N 3.376 123.325 119.800 0.249 0.000 2.334 396 Q HA 0.482 4.838 4.340 0.027 0.000 0.249 396 Q C -1.313 174.691 176.000 0.007 0.000 0.909 396 Q CA -0.497 55.424 55.803 0.197 0.000 0.823 396 Q CB 0.971 29.772 28.738 0.105 0.000 1.353 396 Q HN 0.688 nan 8.270 nan 0.000 0.433 397 R N 2.429 122.848 120.500 -0.135 0.000 2.668 397 R HA 0.607 4.964 4.340 0.027 0.000 0.279 397 R C -0.590 175.632 176.300 -0.129 0.000 0.976 397 R CA -0.565 55.356 56.100 -0.298 0.000 0.978 397 R CB 1.818 31.700 30.300 -0.696 0.000 1.133 397 R HN 0.681 nan 8.270 nan 0.000 0.484 398 R N -0.504 119.913 120.500 -0.138 0.000 2.888 398 R HA 0.433 4.789 4.340 0.027 0.000 0.266 398 R C -0.476 175.733 176.300 -0.152 0.000 1.020 398 R CA -0.469 55.570 56.100 -0.101 0.000 0.963 398 R CB 1.814 32.026 30.300 -0.146 0.000 1.197 398 R HN 0.798 nan 8.270 nan 0.000 0.481 399 T N -1.106 113.343 114.554 -0.175 0.000 2.944 399 T HA 0.356 4.722 4.350 0.027 0.000 0.284 399 T C 0.074 174.700 174.700 -0.123 0.000 1.010 399 T CA -0.770 61.174 62.100 -0.260 0.000 1.025 399 T CB 1.408 69.836 68.868 -0.733 0.000 1.079 399 T HN 0.597 nan 8.240 nan 0.000 0.516 400 S N 1.487 117.195 115.700 0.013 0.000 2.562 400 S HA 0.349 4.835 4.470 0.027 0.000 0.281 400 S C -2.604 172.201 174.600 0.342 0.000 1.333 400 S CA -1.001 57.278 58.200 0.132 0.000 1.052 400 S CB -0.489 62.815 63.200 0.174 0.000 0.884 400 S HN 0.640 nan 8.310 nan 0.000 0.506 401 P HA 0.330 nan 4.420 nan 0.000 0.269 401 P C -0.460 177.049 177.300 0.348 0.000 1.209 401 P CA -0.281 63.038 63.100 0.366 0.000 0.776 401 P CB 0.406 32.241 31.700 0.226 0.000 0.876 402 K N 2.262 122.863 120.400 0.334 0.000 2.509 402 K HA 0.495 4.831 4.320 0.027 0.000 0.266 402 K C -2.727 173.935 176.600 0.102 0.000 0.987 402 K CA -2.329 54.023 56.287 0.108 0.000 0.868 402 K CB 1.446 33.835 32.500 -0.185 0.000 1.421 402 K HN 0.175 nan 8.250 nan 0.000 0.444 403 P HA -0.067 nan 4.420 nan 0.000 0.266 403 P C -0.835 176.566 177.300 0.167 0.000 1.195 403 P CA -0.008 63.149 63.100 0.095 0.000 0.768 403 P CB 0.228 31.952 31.700 0.040 0.000 0.838 404 F N 4.538 124.503 119.950 0.024 0.000 2.462 404 F HA 0.214 4.758 4.527 0.027 0.000 0.354 404 F C 0.374 176.172 175.800 -0.002 0.000 1.192 404 F CA -0.557 57.459 58.000 0.027 0.000 1.173 404 F CB -1.056 37.980 39.000 0.060 0.000 1.402 404 F HN 0.164 nan 8.300 nan 0.000 0.595 405 T N 0.755 115.419 114.554 0.182 0.000 2.938 405 T HA 0.344 4.710 4.350 0.027 0.000 0.285 405 T C 0.965 175.641 174.700 -0.041 0.000 1.028 405 T CA -0.608 61.478 62.100 -0.024 0.000 1.005 405 T CB 1.448 70.299 68.868 -0.027 0.000 1.157 405 T HN 0.341 nan 8.240 nan 0.000 0.550 406 E N 0.121 120.266 120.200 -0.091 0.000 2.267 406 E HA -0.039 4.327 4.350 0.027 0.000 0.197 406 E C 0.508 177.091 176.600 -0.027 0.000 0.998 406 E CA 1.023 57.380 56.400 -0.072 0.000 0.830 406 E CB 0.127 29.783 29.700 -0.074 0.000 0.751 406 E HN 0.696 nan 8.360 nan 0.000 0.491 407 E N 0.159 120.342 120.200 -0.029 0.000 2.343 407 E HA 0.246 4.612 4.350 0.027 0.000 0.260 407 E C -1.670 174.884 176.600 -0.077 0.000 0.908 407 E CA -0.387 55.989 56.400 -0.038 0.000 0.814 407 E CB 1.289 30.960 29.700 -0.048 0.000 1.302 407 E HN -0.170 nan 8.360 nan 0.000 0.408 408 V N 5.630 125.482 119.914 -0.102 0.000 2.357 408 V HA 0.412 4.548 4.120 0.027 0.000 0.284 408 V C -0.484 175.363 176.094 -0.412 0.000 1.018 408 V CA -0.717 61.394 62.300 -0.315 0.000 0.841 408 V CB 1.032 32.615 31.823 -0.400 0.000 0.991 408 V HN 0.551 nan 8.190 nan 0.000 0.437 409 L N 4.248 125.216 121.223 -0.424 0.000 2.329 409 L HA 0.523 4.880 4.340 0.027 0.000 0.279 409 L C 0.459 177.119 176.870 -0.350 0.000 1.014 409 L CA 0.112 54.802 54.840 -0.250 0.000 0.814 409 L CB 1.772 43.756 42.059 -0.125 0.000 1.257 409 L HN 0.620 nan 8.230 nan 0.000 0.424 410 W N 0.204 121.488 121.300 -0.027 0.000 2.952 410 W HA 0.097 4.774 4.660 0.028 0.000 0.251 410 W C 0.775 177.265 176.519 -0.049 0.000 1.144 410 W CA 0.106 57.436 57.345 -0.026 0.000 1.551 410 W CB 0.171 29.620 29.460 -0.019 0.000 0.978 410 W HN 0.812 nan 8.180 nan 0.000 0.648 411 N N 1.208 119.999 118.700 0.150 0.000 2.725 411 N HA -0.196 4.561 4.740 0.027 0.000 0.251 411 N C -0.925 174.565 175.510 -0.033 0.000 1.031 411 N CA 1.003 54.055 53.050 0.003 0.000 0.720 411 N CB -1.286 37.196 38.487 -0.008 0.000 0.930 411 N HN -0.053 nan 8.380 nan 0.000 0.543 412 V N -2.806 117.093 119.914 -0.025 0.000 2.628 412 V HA 0.754 4.890 4.120 0.027 0.000 0.306 412 V C 0.342 176.363 176.094 -0.120 0.000 1.045 412 V CA -1.161 61.128 62.300 -0.018 0.000 0.905 412 V CB 1.175 33.038 31.823 0.066 0.000 0.997 412 V HN 0.247 nan 8.190 nan 0.000 0.436 413 W N 3.938 125.244 121.300 0.010 0.000 2.358 413 W HA 0.628 5.304 4.660 0.026 0.000 0.307 413 W C -0.110 176.385 176.519 -0.039 0.000 1.203 413 W CA -0.477 56.859 57.345 -0.014 0.000 1.279 413 W CB 1.135 30.584 29.460 -0.020 0.000 1.264 413 W HN 0.494 nan 8.180 nan 0.000 0.474 414 L N 4.703 126.044 121.223 0.197 0.000 2.260 414 L HA 0.249 4.605 4.340 0.027 0.000 0.289 414 L C 0.495 177.390 176.870 0.041 0.000 1.057 414 L CA -0.535 54.322 54.840 0.028 0.000 0.811 414 L CB 0.493 42.525 42.059 -0.046 0.000 1.184 414 L HN 0.299 nan 8.230 nan 0.000 0.429 415 E N 3.253 123.420 120.200 -0.056 0.000 2.174 415 E HA 0.377 4.744 4.350 0.027 0.000 0.282 415 E C -0.956 175.582 176.600 -0.104 0.000 0.992 415 E CA -0.326 56.076 56.400 0.003 0.000 0.803 415 E CB 1.751 31.449 29.700 -0.003 0.000 1.090 415 E HN 0.201 nan 8.360 nan 0.000 0.396 416 F N 0.153 120.179 119.950 0.126 0.000 2.450 416 F HA 0.147 4.689 4.527 0.026 0.000 0.328 416 F C 1.806 177.662 175.800 0.094 0.000 1.068 416 F CA -0.432 57.656 58.000 0.146 0.000 1.007 416 F CB 1.254 40.418 39.000 0.273 0.000 1.251 416 F HN 0.324 nan 8.300 nan 0.000 0.492 417 S N 0.718 116.571 115.700 0.255 0.000 2.395 417 S HA -0.012 4.474 4.470 0.027 0.000 0.225 417 S C 0.784 175.465 174.600 0.135 0.000 1.027 417 S CA 0.170 58.454 58.200 0.139 0.000 0.965 417 S CB -0.134 63.119 63.200 0.089 0.000 0.812 417 S HN 0.498 nan 8.310 nan 0.000 0.482 418 I N 2.849 123.518 120.570 0.165 0.000 2.533 418 I HA 0.069 4.255 4.170 0.027 0.000 0.284 418 I C -0.169 176.014 176.117 0.110 0.000 1.109 418 I CA -0.427 60.931 61.300 0.095 0.000 1.412 418 I CB 0.518 38.543 38.000 0.042 0.000 1.396 418 I HN 0.037 nan 8.210 nan 0.000 0.543 419 K N 5.815 126.252 120.400 0.062 0.000 2.276 419 K HA 0.088 4.424 4.320 0.027 0.000 0.259 419 K C 0.895 177.531 176.600 0.059 0.000 1.001 419 K CA -0.416 55.904 56.287 0.056 0.000 0.927 419 K CB 0.900 33.408 32.500 0.013 0.000 0.969 419 K HN 0.563 nan 8.250 nan 0.000 0.490 420 I N 1.854 122.464 120.570 0.068 0.000 2.361 420 I HA -0.247 3.939 4.170 0.027 0.000 0.251 420 I C 1.985 178.113 176.117 0.018 0.000 1.133 420 I CA 1.439 62.785 61.300 0.076 0.000 1.413 420 I CB -0.157 37.888 38.000 0.074 0.000 1.073 420 I HN 0.473 nan 8.210 nan 0.000 0.424 421 K N 0.283 120.665 120.400 -0.029 0.000 2.147 421 K HA -0.120 4.216 4.320 0.027 0.000 0.205 421 K C 1.200 177.787 176.600 -0.022 0.000 1.049 421 K CA 1.179 57.431 56.287 -0.058 0.000 0.936 421 K CB -0.414 32.039 32.500 -0.078 0.000 0.722 421 K HN 0.362 nan 8.250 nan 0.000 0.446 422 D N 0.402 120.792 120.400 -0.017 0.000 2.339 422 D HA 0.031 4.688 4.640 0.027 0.000 0.217 422 D C 0.363 176.648 176.300 -0.025 0.000 1.050 422 D CA 0.035 54.020 54.000 -0.026 0.000 0.856 422 D CB 0.237 41.016 40.800 -0.034 0.000 0.922 422 D HN 0.093 nan 8.370 nan 0.000 0.518 423 L N 2.787 124.005 121.223 -0.008 0.000 2.477 423 L HA 0.129 4.486 4.340 0.027 0.000 0.272 423 L C -2.029 174.856 176.870 0.025 0.000 1.157 423 L CA -1.255 53.573 54.840 -0.020 0.000 0.889 423 L CB 0.154 42.203 42.059 -0.017 0.000 1.158 423 L HN -0.248 nan 8.230 nan 0.000 0.473 424 P HA 0.147 nan 4.420 nan 0.000 0.282 424 P C -0.871 176.507 177.300 0.131 0.000 1.249 424 P CA -0.785 62.335 63.100 0.033 0.000 0.806 424 P CB 0.721 32.299 31.700 -0.203 0.000 0.984 425 K N 1.329 121.850 120.400 0.201 0.000 2.416 425 K HA 0.305 4.641 4.320 0.027 0.000 0.283 425 K C 0.923 177.670 176.600 0.245 0.000 1.037 425 K CA 0.879 57.295 56.287 0.215 0.000 0.995 425 K CB -0.643 31.985 32.500 0.213 0.000 0.938 425 K HN 0.810 nan 8.250 nan 0.000 0.475 426 G N 2.103 111.013 108.800 0.183 0.000 2.201 426 G HA2 -0.232 3.744 3.960 0.027 0.000 0.212 426 G HA3 -0.232 3.744 3.960 0.027 0.000 0.212 426 G C 0.050 174.905 174.900 -0.075 0.000 0.994 426 G CA -0.114 44.978 45.100 -0.015 0.000 0.644 426 G HN 0.885 nan 8.290 nan 0.000 0.508 427 A N 0.736 123.594 122.820 0.064 0.000 2.520 427 A HA 0.594 4.930 4.320 0.027 0.000 0.245 427 A C 0.485 178.008 177.584 -0.102 0.000 1.072 427 A CA 0.481 52.527 52.037 0.014 0.000 0.761 427 A CB 0.180 19.169 19.000 -0.019 0.000 1.004 427 A HN 0.855 nan 8.150 nan 0.000 0.499 428 L N 2.636 123.788 121.223 -0.119 0.000 2.309 428 L HA 0.330 4.686 4.340 0.027 0.000 0.282 428 L C -0.271 176.520 176.870 -0.133 0.000 1.036 428 L CA -0.957 53.809 54.840 -0.123 0.000 0.806 428 L CB 1.610 43.610 42.059 -0.098 0.000 1.220 428 L HN 0.707 nan 8.230 nan 0.000 0.429 429 L N 4.899 126.042 121.223 -0.133 0.000 2.342 429 L HA 0.211 4.567 4.340 0.027 0.000 0.285 429 L C 0.135 176.987 176.870 -0.030 0.000 1.095 429 L CA 0.418 55.189 54.840 -0.115 0.000 0.843 429 L CB 0.111 42.115 42.059 -0.091 0.000 1.201 429 L HN 0.543 nan 8.230 nan 0.000 0.445 430 N N 6.445 125.146 118.700 0.002 0.000 2.462 430 N HA 0.223 4.979 4.740 0.027 0.000 0.242 430 N C -1.324 174.241 175.510 0.091 0.000 1.010 430 N CA -0.483 52.599 53.050 0.054 0.000 0.939 430 N CB 0.528 39.044 38.487 0.048 0.000 1.127 430 N HN 0.639 nan 8.380 nan 0.000 0.509 431 L N 3.112 124.391 121.223 0.094 0.000 2.264 431 L HA 0.375 4.731 4.340 0.027 0.000 0.289 431 L C 0.074 177.003 176.870 0.099 0.000 1.044 431 L CA -0.433 54.460 54.840 0.087 0.000 0.807 431 L CB 1.429 43.518 42.059 0.050 0.000 1.192 431 L HN 0.417 nan 8.230 nan 0.000 0.425 432 Q N 3.646 123.495 119.800 0.081 0.000 2.423 432 Q HA 0.646 5.002 4.340 0.027 0.000 0.278 432 Q C -1.216 174.732 176.000 -0.086 0.000 1.097 432 Q CA -0.775 55.036 55.803 0.012 0.000 0.809 432 Q CB 3.522 32.249 28.738 -0.019 0.000 1.391 432 Q HN 0.519 nan 8.270 nan 0.000 0.428 433 I N 2.003 122.446 120.570 -0.212 0.000 2.418 433 I HA 0.372 4.558 4.170 0.027 0.000 0.287 433 I C -1.284 174.529 176.117 -0.507 0.000 1.008 433 I CA -0.628 60.517 61.300 -0.258 0.000 1.104 433 I CB 0.877 38.826 38.000 -0.085 0.000 1.264 433 I HN 0.514 nan 8.210 nan 0.000 0.438 434 Y N 4.751 124.673 120.300 -0.630 0.000 2.487 434 Y HA 0.531 5.097 4.550 0.027 0.000 0.337 434 Y C 0.602 176.096 175.900 -0.677 0.000 1.076 434 Y CA -0.670 57.016 58.100 -0.690 0.000 1.115 434 Y CB 1.564 39.470 38.460 -0.923 0.000 1.235 434 Y HN 0.638 nan 8.280 nan 0.000 0.468 459 R N 2.590 123.208 120.500 0.196 0.000 2.744 459 R HA 0.970 5.326 4.340 0.027 0.000 0.279 459 R C -0.984 175.379 176.300 0.105 0.000 0.977 459 R CA -0.540 55.654 56.100 0.158 0.000 0.906 459 R CB 1.991 32.334 30.300 0.072 0.000 1.197 459 R HN 1.718 nan 8.270 nan 0.000 0.463 460 L N 2.999 124.215 121.223 -0.010 0.000 2.313 460 L HA 0.421 4.777 4.340 0.027 0.000 0.282 460 L C 0.428 177.138 176.870 -0.265 0.000 1.092 460 L CA -0.249 54.362 54.840 -0.381 0.000 0.831 460 L CB 0.609 42.474 42.059 -0.324 0.000 1.159 460 L HN 0.839 nan 8.230 nan 0.000 0.442 461 L N 4.901 125.932 121.223 -0.321 0.000 2.433 461 L HA 0.252 4.608 4.340 0.027 0.000 0.200 461 L C -0.429 176.070 176.870 -0.618 0.000 1.059 461 L CA -0.003 54.597 54.840 -0.401 0.000 0.835 461 L CB 0.004 41.903 42.059 -0.267 0.000 1.076 461 L HN 0.453 nan 8.230 nan 0.000 0.481 462 Y N -1.069 119.178 120.300 -0.087 0.000 2.553 462 Y HA 0.516 5.082 4.550 0.027 0.000 0.347 462 Y C -0.816 175.100 175.900 0.026 0.000 1.019 462 Y CA -1.332 56.746 58.100 -0.037 0.000 1.032 462 Y CB 1.740 40.156 38.460 -0.074 0.000 1.284 462 Y HN -0.020 nan 8.280 nan 0.000 0.466 463 Y N -0.764 119.634 120.300 0.163 0.000 2.597 463 Y HA 0.890 5.457 4.550 0.028 0.000 0.340 463 Y C -1.986 174.027 175.900 0.188 0.000 1.097 463 Y CA -1.537 56.633 58.100 0.117 0.000 1.037 463 Y CB 1.632 40.142 38.460 0.084 0.000 1.305 463 Y HN 0.600 nan 8.280 nan 0.000 0.463 464 V N 2.291 122.358 119.914 0.256 0.000 3.167 464 V HA 0.517 4.653 4.120 0.027 0.000 0.293 464 V C -2.005 174.204 176.094 0.191 0.000 1.379 464 V CA -0.792 61.626 62.300 0.197 0.000 1.019 464 V CB 2.493 34.324 31.823 0.013 0.000 1.115 464 V HN 1.009 nan 8.190 nan 0.000 0.442 465 N N 3.309 122.117 118.700 0.180 0.000 2.292 465 N HA 0.753 5.509 4.740 0.027 0.000 0.303 465 N C -1.672 173.862 175.510 0.040 0.000 1.140 465 N CA -0.409 52.700 53.050 0.100 0.000 0.788 465 N CB 2.557 41.105 38.487 0.102 0.000 1.361 465 N HN 0.563 nan 8.380 nan 0.000 0.489 466 L N 1.279 122.485 121.223 -0.028 0.000 2.470 466 L HA 0.466 4.822 4.340 0.027 0.000 0.268 466 L C -1.242 175.569 176.870 -0.099 0.000 0.964 466 L CA -0.454 54.333 54.840 -0.089 0.000 0.839 466 L CB 1.476 43.406 42.059 -0.215 0.000 1.276 466 L HN 0.445 nan 8.230 nan 0.000 0.403 467 L N 5.899 127.074 121.223 -0.079 0.000 2.477 467 L HA 0.103 4.459 4.340 0.027 0.000 0.272 467 L C 1.328 178.157 176.870 -0.068 0.000 1.157 467 L CA 0.126 54.909 54.840 -0.095 0.000 0.889 467 L CB 0.553 42.560 42.059 -0.087 0.000 1.158 467 L HN 0.767 nan 8.230 nan 0.000 0.473 468 L N 4.629 125.805 121.223 -0.080 0.000 2.141 468 L HA 0.003 4.359 4.340 0.027 0.000 0.209 468 L C 0.608 177.491 176.870 0.021 0.000 1.094 468 L CA 1.120 55.929 54.840 -0.053 0.000 0.763 468 L CB 0.036 42.005 42.059 -0.150 0.000 0.908 468 L HN 0.531 nan 8.230 nan 0.000 0.437 469 I N 0.056 120.649 120.570 0.038 0.000 2.433 469 I HA 0.144 4.330 4.170 0.027 0.000 0.292 469 I C -0.486 175.683 176.117 0.088 0.000 1.001 469 I CA -0.944 60.393 61.300 0.062 0.000 1.119 469 I CB 1.716 39.767 38.000 0.085 0.000 1.289 469 I HN 0.026 nan 8.210 nan 0.000 0.438 470 D N 4.590 124.981 120.400 -0.016 0.000 2.478 470 D HA 0.036 4.692 4.640 0.027 0.000 0.274 470 D C 1.130 177.299 176.300 -0.218 0.000 1.234 470 D CA -0.048 53.938 54.000 -0.023 0.000 1.069 470 D CB 0.223 40.895 40.800 -0.213 0.000 1.113 470 D HN 0.603 nan 8.370 nan 0.000 0.571 471 H N -1.079 117.850 119.070 -0.235 0.000 2.546 471 H HA 0.136 4.708 4.556 0.027 0.000 0.277 471 H C 0.837 175.834 175.328 -0.552 0.000 1.004 471 H CA 0.447 56.194 56.048 -0.502 0.000 1.231 471 H CB -0.144 29.416 29.762 -0.337 0.000 1.382 471 H HN 0.317 nan 8.280 nan 0.000 0.580 472 R N -0.501 119.611 120.500 -0.646 0.000 2.468 472 R HA 0.135 4.491 4.340 0.027 0.000 0.280 472 R C -0.465 175.794 176.300 -0.068 0.000 0.963 472 R CA -0.296 55.598 56.100 -0.342 0.000 1.083 472 R CB 0.191 30.245 30.300 -0.411 0.000 1.200 472 R HN 0.073 nan 8.270 nan 0.000 0.541 473 F N -0.302 119.464 119.950 -0.306 0.000 3.018 473 F HA -0.254 4.289 4.527 0.026 0.000 0.287 473 F C -0.338 175.188 175.800 -0.456 0.000 0.813 473 F CA 0.238 58.059 58.000 -0.299 0.000 1.209 473 F CB -1.638 37.195 39.000 -0.279 0.000 1.321 473 F HN 0.015 nan 8.300 nan 0.000 0.477 474 L N 1.138 122.204 121.223 -0.263 0.000 2.295 474 L HA 0.467 4.823 4.340 0.027 0.000 0.285 474 L C 0.369 177.182 176.870 -0.096 0.000 1.035 474 L CA -1.193 53.476 54.840 -0.286 0.000 0.806 474 L CB 1.226 43.151 42.059 -0.224 0.000 1.214 474 L HN 0.006 nan 8.230 nan 0.000 0.426 475 L N 4.317 125.567 121.223 0.044 0.000 2.559 475 L HA 0.051 4.407 4.340 0.027 0.000 0.274 475 L C 0.589 177.541 176.870 0.136 0.000 1.205 475 L CA 0.545 55.499 54.840 0.190 0.000 0.907 475 L CB 0.174 42.449 42.059 0.361 0.000 1.153 475 L HN 0.557 nan 8.230 nan 0.000 0.490 476 R N 6.007 126.583 120.500 0.127 0.000 2.296 476 R HA 0.377 4.733 4.340 0.027 0.000 0.323 476 R C -0.594 175.825 176.300 0.198 0.000 1.067 476 R CA -0.329 55.850 56.100 0.132 0.000 0.946 476 R CB 0.225 30.564 30.300 0.066 0.000 0.991 476 R HN 0.848 nan 8.270 nan 0.000 0.448 477 R N 2.798 123.430 120.500 0.221 0.000 2.744 477 R HA 0.804 5.160 4.340 0.027 0.000 0.279 477 R C -0.849 175.584 176.300 0.222 0.000 0.977 477 R CA -0.481 55.755 56.100 0.226 0.000 0.906 477 R CB 2.065 32.464 30.300 0.165 0.000 1.197 477 R HN 0.761 nan 8.270 nan 0.000 0.463 478 G N 1.094 110.006 108.800 0.187 0.000 2.325 478 G HA2 0.005 3.981 3.960 0.027 0.000 0.285 478 G HA3 0.005 3.981 3.960 0.027 0.000 0.285 478 G C -1.609 173.223 174.900 -0.114 0.000 1.303 478 G CA -0.939 44.153 45.100 -0.013 0.000 0.970 478 G HN 0.513 nan 8.290 nan 0.000 0.490 479 E N -0.183 119.820 120.200 -0.327 0.000 2.249 479 E HA 0.581 4.948 4.350 0.027 0.000 0.280 479 E C -1.275 174.960 176.600 -0.609 0.000 1.016 479 E CA 0.012 56.239 56.400 -0.287 0.000 0.830 479 E CB 1.598 31.184 29.700 -0.190 0.000 1.081 479 E HN 0.410 nan 8.360 nan 0.000 0.395 480 Y N -0.251 120.011 120.300 -0.063 0.000 2.470 480 Y HA 0.284 4.851 4.550 0.027 0.000 0.341 480 Y C -0.377 175.465 175.900 -0.097 0.000 1.021 480 Y CA -0.919 57.126 58.100 -0.091 0.000 1.025 480 Y CB 1.996 40.373 38.460 -0.138 0.000 1.266 480 Y HN 0.112 nan 8.280 nan 0.000 0.448 481 V N 5.460 125.395 119.914 0.036 0.000 2.325 481 V HA 0.398 4.534 4.120 0.027 0.000 0.280 481 V C -0.654 175.366 176.094 -0.123 0.000 1.016 481 V CA -0.673 61.584 62.300 -0.072 0.000 0.818 481 V CB 0.976 32.736 31.823 -0.105 0.000 1.019 481 V HN 0.561 nan 8.190 nan 0.000 0.434 482 L N 4.731 125.859 121.223 -0.157 0.000 2.287 482 L HA 0.561 4.917 4.340 0.027 0.000 0.287 482 L C -0.259 176.439 176.870 -0.286 0.000 1.022 482 L CA -0.667 54.086 54.840 -0.145 0.000 0.814 482 L CB 1.107 43.117 42.059 -0.081 0.000 1.217 482 L HN 0.608 nan 8.230 nan 0.000 0.420 483 H N 3.438 122.414 119.070 -0.156 0.000 2.690 483 H HA 0.384 4.956 4.556 0.027 0.000 0.314 483 H C -0.157 174.923 175.328 -0.413 0.000 1.069 483 H CA 0.039 55.935 56.048 -0.253 0.000 1.436 483 H CB 0.812 30.419 29.762 -0.258 0.000 1.462 483 H HN 0.460 nan 8.280 nan 0.000 0.511 484 M N 2.052 121.483 119.600 -0.282 0.000 2.471 484 M HA 0.303 4.799 4.480 0.027 0.000 0.309 484 M C -0.708 175.313 176.300 -0.465 0.000 1.186 484 M CA -0.684 54.398 55.300 -0.364 0.000 1.008 484 M CB 1.344 33.855 32.600 -0.149 0.000 1.551 484 M HN 0.480 nan 8.290 nan 0.000 0.477 485 W N 1.030 122.130 121.300 -0.333 0.000 2.381 485 W HA 0.447 5.123 4.660 0.027 0.000 0.329 485 W C -0.082 176.282 176.519 -0.259 0.000 1.157 485 W CA -0.480 56.645 57.345 -0.366 0.000 1.240 485 W CB 0.514 29.604 29.460 -0.616 0.000 1.199 485 W HN 0.485 nan 8.180 nan 0.000 0.579 486 Q N 1.921 121.806 119.800 0.141 0.000 2.266 486 Q HA 0.594 4.951 4.340 0.027 0.000 0.261 486 Q C -0.624 175.394 176.000 0.031 0.000 0.985 486 Q CA -0.867 54.906 55.803 -0.050 0.000 0.873 486 Q CB 1.699 30.357 28.738 -0.134 0.000 1.306 486 Q HN 0.336 nan 8.270 nan 0.000 0.447 487 I N 2.353 122.894 120.570 -0.049 0.000 2.532 487 I HA 0.437 4.623 4.170 0.027 0.000 0.292 487 I C 0.289 176.398 176.117 -0.012 0.000 1.014 487 I CA -0.007 61.313 61.300 0.034 0.000 1.340 487 I CB 1.025 39.029 38.000 0.006 0.000 1.422 487 I HN 1.027 nan 8.210 nan 0.000 0.528 497 F N 3.909 123.832 119.950 -0.044 0.000 2.654 497 F HA 0.457 4.999 4.527 0.025 0.000 0.303 497 F C 0.864 176.646 175.800 -0.029 0.000 1.099 497 F CA -1.216 56.762 58.000 -0.037 0.000 1.270 497 F CB 0.309 39.295 39.000 -0.024 0.000 1.024 497 F HN 0.448 nan 8.300 nan 0.000 0.548 498 N N 0.915 119.680 118.700 0.107 0.000 2.525 498 N HA 0.073 4.829 4.740 0.027 0.000 0.271 498 N C 1.189 176.721 175.510 0.037 0.000 1.194 498 N CA 0.768 53.846 53.050 0.046 0.000 0.964 498 N CB 1.564 40.031 38.487 -0.033 0.000 1.126 498 N HN 0.094 nan 8.380 nan 0.000 0.452 499 A N 2.432 125.279 122.820 0.046 0.000 2.019 499 A HA -0.159 4.177 4.320 0.027 0.000 0.219 499 A C 1.449 179.067 177.584 0.056 0.000 1.164 499 A CA 1.349 53.421 52.037 0.059 0.000 0.644 499 A CB -0.335 18.556 19.000 -0.182 0.000 0.805 499 A HN 0.800 nan 8.150 nan 0.000 0.449 500 D N 0.129 120.476 120.400 -0.089 0.000 2.218 500 D HA -0.116 4.540 4.640 0.027 0.000 0.204 500 D C 1.600 177.807 176.300 -0.155 0.000 0.976 500 D CA 1.092 54.915 54.000 -0.295 0.000 0.853 500 D CB -0.230 40.083 40.800 -0.810 0.000 0.939 500 D HN 0.512 nan 8.370 nan 0.000 0.481 501 K N 0.067 120.332 120.400 -0.226 0.000 2.515 501 K HA 0.027 4.363 4.320 0.027 0.000 0.196 501 K C 1.626 178.168 176.600 -0.098 0.000 1.038 501 K CA 0.328 56.362 56.287 -0.422 0.000 0.967 501 K CB 0.232 32.441 32.500 -0.486 0.000 0.780 501 K HN 0.237 nan 8.250 nan 0.000 0.483 502 L N -0.101 121.138 121.223 0.026 0.000 2.590 502 L HA 0.060 4.416 4.340 0.027 0.000 0.227 502 L C 1.194 178.118 176.870 0.089 0.000 1.099 502 L CA -0.111 54.774 54.840 0.075 0.000 0.872 502 L CB 0.161 42.297 42.059 0.129 0.000 1.088 502 L HN -0.017 nan 8.230 nan 0.000 0.479 503 T N -0.072 114.517 114.554 0.058 0.000 2.940 503 T HA -0.004 4.362 4.350 0.027 0.000 0.309 503 T C 1.307 176.032 174.700 0.043 0.000 1.056 503 T CA 0.421 62.469 62.100 -0.088 0.000 1.137 503 T CB 0.909 69.475 68.868 -0.504 0.000 0.976 503 T HN 0.366 nan 8.240 nan 0.000 0.547 504 S N 2.878 118.582 115.700 0.005 0.000 2.548 504 S HA 0.388 4.874 4.470 0.027 0.000 0.215 504 S C 0.947 175.622 174.600 0.125 0.000 0.976 504 S CA -0.102 58.124 58.200 0.045 0.000 0.908 504 S CB 0.045 63.209 63.200 -0.060 0.000 0.781 504 S HN 0.916 nan 8.310 nan 0.000 0.519 505 A N 2.507 125.408 122.820 0.135 0.000 2.386 505 A HA 0.544 4.880 4.320 0.027 0.000 0.248 505 A C 0.708 178.488 177.584 0.327 0.000 1.082 505 A CA -0.075 52.082 52.037 0.200 0.000 0.789 505 A CB -0.003 19.098 19.000 0.169 0.000 1.025 505 A HN 0.551 nan 8.150 nan 0.000 0.490 506 T N 0.100 114.740 114.554 0.143 0.000 2.945 506 T HA 0.394 4.760 4.350 0.027 0.000 0.286 506 T C 0.103 174.481 174.700 -0.536 0.000 1.025 506 T CA -0.985 61.032 62.100 -0.139 0.000 1.039 506 T CB 0.774 69.618 68.868 -0.040 0.000 1.068 506 T HN 0.580 nan 8.240 nan 0.000 0.497 507 N N 2.162 120.129 118.700 -1.222 0.000 2.447 507 N HA 0.118 4.874 4.740 0.027 0.000 0.263 507 N C -1.717 173.472 175.510 -0.534 0.000 1.226 507 N CA -1.783 50.458 53.050 -1.349 0.000 0.906 507 N CB 1.034 38.825 38.487 -1.160 0.000 1.060 507 N HN 0.338 nan 8.380 nan 0.000 0.468 508 P HA -0.035 nan 4.420 nan 0.000 0.220 508 P C -0.141 177.035 177.300 -0.206 0.000 1.152 508 P CA 0.732 63.736 63.100 -0.160 0.000 0.812 508 P CB 0.172 31.861 31.700 -0.019 0.000 0.792 509 D N 0.406 120.679 120.400 -0.211 0.000 2.489 509 D HA -0.015 4.641 4.640 0.027 0.000 0.237 509 D C 0.877 176.994 176.300 -0.305 0.000 1.212 509 D CA 0.212 54.100 54.000 -0.187 0.000 1.058 509 D CB -0.157 40.578 40.800 -0.109 0.000 1.098 509 D HN 0.035 nan 8.370 nan 0.000 0.509 510 K N 1.267 121.421 120.400 -0.411 0.000 2.362 510 K HA -0.080 4.257 4.320 0.027 0.000 0.200 510 K C 1.552 177.967 176.600 -0.308 0.000 1.046 510 K CA 0.528 56.399 56.287 -0.693 0.000 0.952 510 K CB 0.474 32.608 32.500 -0.610 0.000 0.753 510 K HN 0.436 nan 8.250 nan 0.000 0.466 511 E N 0.637 120.733 120.200 -0.174 0.000 2.046 511 E HA -0.115 4.251 4.350 0.027 0.000 0.190 511 E C 1.235 177.803 176.600 -0.053 0.000 0.982 511 E CA 0.974 57.323 56.400 -0.085 0.000 0.800 511 E CB 0.214 29.876 29.700 -0.063 0.000 0.756 511 E HN 0.310 nan 8.360 nan 0.000 0.449 512 N N -0.101 118.566 118.700 -0.055 0.000 2.407 512 N HA -0.028 4.728 4.740 0.027 0.000 0.182 512 N C 0.328 175.836 175.510 -0.004 0.000 1.079 512 N CA 0.249 53.288 53.050 -0.019 0.000 0.882 512 N CB 0.317 38.801 38.487 -0.005 0.000 1.106 512 N HN -0.035 nan 8.380 nan 0.000 0.461 513 S N 0.987 116.671 115.700 -0.026 0.000 2.562 513 S HA 0.189 4.675 4.470 0.027 0.000 0.281 513 S C 0.485 175.077 174.600 -0.012 0.000 1.333 513 S CA -0.700 57.493 58.200 -0.011 0.000 1.052 513 S CB 0.781 63.934 63.200 -0.078 0.000 0.884 513 S HN 0.196 nan 8.310 nan 0.000 0.506 514 M N 3.278 122.797 119.600 -0.136 0.000 2.252 514 M HA 0.273 4.769 4.480 0.027 0.000 0.348 514 M C 0.112 176.278 176.300 -0.224 0.000 1.334 514 M CA 0.687 55.794 55.300 -0.321 0.000 1.071 514 M CB 0.369 32.388 32.600 -0.968 0.000 1.763 514 M HN 0.804 nan 8.290 nan 0.000 0.452 515 S N 4.888 120.468 115.700 -0.199 0.000 2.621 515 S HA 0.802 5.288 4.470 0.027 0.000 0.302 515 S C -1.087 173.395 174.600 -0.197 0.000 1.093 515 S CA -0.911 57.129 58.200 -0.268 0.000 1.017 515 S CB 0.860 63.870 63.200 -0.317 0.000 1.077 515 S HN 0.748 nan 8.310 nan 0.000 0.517 516 I N 2.536 122.990 120.570 -0.193 0.000 2.619 516 I HA 0.460 4.646 4.170 0.027 0.000 0.292 516 I C -1.015 175.051 176.117 -0.085 0.000 1.100 516 I CA -0.291 60.948 61.300 -0.102 0.000 1.043 516 I CB 2.130 40.082 38.000 -0.080 0.000 1.239 516 I HN 0.650 nan 8.210 nan 0.000 0.420 517 S N 7.897 123.573 115.700 -0.040 0.000 2.473 517 S HA 0.789 5.275 4.470 0.027 0.000 0.307 517 S C -0.363 174.227 174.600 -0.018 0.000 1.094 517 S CA -0.573 57.607 58.200 -0.032 0.000 1.070 517 S CB 1.867 65.045 63.200 -0.037 0.000 1.019 517 S HN 0.539 nan 8.310 nan 0.000 0.480 518 I N -0.155 120.415 120.570 -0.000 0.000 3.102 518 I HA 0.794 4.980 4.170 0.027 0.000 0.310 518 I C -2.054 174.069 176.117 0.010 0.000 1.246 518 I CA -1.405 59.890 61.300 -0.007 0.000 0.979 518 I CB 1.919 39.938 38.000 0.030 0.000 1.267 518 I HN 0.526 nan 8.210 nan 0.000 0.451 519 L N 3.824 125.018 121.223 -0.048 0.000 2.409 519 L HA 0.693 5.049 4.340 0.027 0.000 0.272 519 L C -1.920 175.002 176.870 0.086 0.000 0.980 519 L CA -0.380 54.457 54.840 -0.006 0.000 0.826 519 L CB 1.750 43.744 42.059 -0.107 0.000 1.268 519 L HN 0.613 nan 8.230 nan 0.000 0.407 520 L N 4.602 125.938 121.223 0.188 0.000 2.313 520 L HA 0.574 4.930 4.340 0.027 0.000 0.283 520 L C -0.725 176.271 176.870 0.210 0.000 1.013 520 L CA -0.034 54.934 54.840 0.213 0.000 0.816 520 L CB 1.487 43.692 42.059 0.244 0.000 1.236 520 L HN 0.625 nan 8.230 nan 0.000 0.419 521 D N 2.549 123.078 120.400 0.215 0.000 2.517 521 D HA 0.526 5.182 4.640 0.027 0.000 0.263 521 D C -0.445 175.895 176.300 0.067 0.000 1.233 521 D CA 0.179 54.272 54.000 0.156 0.000 0.849 521 D CB 0.457 41.381 40.800 0.206 0.000 1.261 521 D HN 0.619 nan 8.370 nan 0.000 0.516 546 E N 0.433 120.651 120.200 0.030 0.000 2.312 546 E HA 0.623 4.989 4.350 0.027 0.000 0.267 546 E C -1.380 175.252 176.600 0.054 0.000 0.894 546 E CA -0.654 55.763 56.400 0.029 0.000 0.773 546 E CB 1.764 31.470 29.700 0.010 0.000 1.241 546 E HN 0.789 nan 8.360 nan 0.000 0.432 547 M N 4.050 123.652 119.600 0.004 0.000 2.180 547 M HA 0.381 4.877 4.480 0.027 0.000 0.350 547 M C -2.343 173.903 176.300 -0.090 0.000 1.125 547 M CA -1.722 53.531 55.300 -0.079 0.000 1.031 547 M CB 1.394 33.827 32.600 -0.278 0.000 1.623 547 M HN 0.210 nan 8.290 nan 0.000 0.451 548 P HA -0.045 nan 4.420 nan 0.000 0.269 548 P C -0.216 177.036 177.300 -0.080 0.000 1.205 548 P CA 0.100 63.173 63.100 -0.045 0.000 0.780 548 P CB 0.470 32.161 31.700 -0.015 0.000 0.858 549 N N 0.840 119.509 118.700 -0.052 0.000 2.171 549 N HA -0.172 4.585 4.740 0.027 0.000 0.184 549 N C 1.498 176.972 175.510 -0.061 0.000 1.021 549 N CA 1.047 54.065 53.050 -0.054 0.000 0.854 549 N CB 0.038 38.505 38.487 -0.034 0.000 0.994 549 N HN 0.383 nan 8.380 nan 0.000 0.426 550 Q N 1.040 120.812 119.800 -0.048 0.000 2.167 550 Q HA 0.065 4.421 4.340 0.027 0.000 0.202 550 Q C 2.023 177.986 176.000 -0.061 0.000 0.970 550 Q CA 0.975 56.753 55.803 -0.043 0.000 0.855 550 Q CB -0.112 28.612 28.738 -0.023 0.000 0.911 550 Q HN 0.390 nan 8.270 nan 0.000 0.438 551 L N -0.484 120.687 121.223 -0.087 0.000 2.068 551 L HA -0.027 4.329 4.340 0.027 0.000 0.204 551 L C 2.589 179.336 176.870 -0.205 0.000 1.076 551 L CA 1.278 56.039 54.840 -0.132 0.000 0.753 551 L CB -0.478 41.481 42.059 -0.165 0.000 0.910 551 L HN 0.213 nan 8.230 nan 0.000 0.439 552 R N 0.560 120.920 120.500 -0.232 0.000 2.139 552 R HA -0.185 4.171 4.340 0.027 0.000 0.243 552 R C 2.129 178.343 176.300 -0.143 0.000 1.145 552 R CA 1.309 57.282 56.100 -0.213 0.000 0.976 552 R CB 0.092 30.295 30.300 -0.161 0.000 0.866 552 R HN 0.163 nan 8.270 nan 0.000 0.449 553 K N 0.506 120.842 120.400 -0.106 0.000 2.167 553 K HA -0.077 4.259 4.320 0.027 0.000 0.203 553 K C 2.044 178.600 176.600 -0.074 0.000 1.052 553 K CA 1.101 57.340 56.287 -0.079 0.000 0.956 553 K CB -0.221 32.245 32.500 -0.056 0.000 0.735 553 K HN 0.423 nan 8.250 nan 0.000 0.451 554 Q N 0.500 120.256 119.800 -0.073 0.000 2.030 554 Q HA -0.144 4.212 4.340 0.027 0.000 0.204 554 Q C 2.169 178.131 176.000 -0.062 0.000 0.986 554 Q CA 1.217 56.988 55.803 -0.053 0.000 0.843 554 Q CB -0.240 28.477 28.738 -0.035 0.000 0.904 554 Q HN 0.112 nan 8.270 nan 0.000 0.420 555 L N 1.280 122.447 121.223 -0.094 0.000 1.989 555 L HA -0.222 4.134 4.340 0.027 0.000 0.211 555 L C 1.979 178.774 176.870 -0.124 0.000 1.071 555 L CA 1.875 56.655 54.840 -0.100 0.000 0.749 555 L CB -0.323 41.650 42.059 -0.143 0.000 0.890 555 L HN 0.177 nan 8.230 nan 0.000 0.431 556 E N -0.610 119.498 120.200 -0.154 0.000 2.130 556 E HA -0.279 4.087 4.350 0.027 0.000 0.196 556 E C 2.129 178.664 176.600 -0.109 0.000 0.998 556 E CA 1.158 57.454 56.400 -0.173 0.000 0.806 556 E CB -0.349 29.263 29.700 -0.147 0.000 0.738 556 E HN 0.678 nan 8.360 nan 0.000 0.459 557 A N 1.300 124.074 122.820 -0.077 0.000 1.858 557 A HA -0.201 4.135 4.320 0.027 0.000 0.216 557 A C 2.202 179.761 177.584 -0.042 0.000 1.190 557 A CA 1.283 53.290 52.037 -0.051 0.000 0.617 557 A CB -0.697 18.280 19.000 -0.039 0.000 0.827 557 A HN 0.136 nan 8.150 nan 0.000 0.443 558 I N -0.126 120.421 120.570 -0.038 0.000 2.118 558 I HA -0.319 3.867 4.170 0.027 0.000 0.241 558 I C 2.279 178.384 176.117 -0.020 0.000 1.070 558 I CA 1.786 63.074 61.300 -0.021 0.000 1.327 558 I CB -0.420 37.573 38.000 -0.011 0.000 1.034 558 I HN 0.311 nan 8.210 nan 0.000 0.405 559 I N 0.683 121.227 120.570 -0.043 0.000 2.423 559 I HA -0.297 3.889 4.170 0.027 0.000 0.254 559 I C 2.576 178.679 176.117 -0.023 0.000 1.151 559 I CA 1.224 62.503 61.300 -0.035 0.000 1.421 559 I CB -0.465 37.476 38.000 -0.098 0.000 1.079 559 I HN 0.239 nan 8.210 nan 0.000 0.431 560 A N 0.274 123.072 122.820 -0.037 0.000 2.067 560 A HA -0.037 4.299 4.320 0.027 0.000 0.217 560 A C 1.535 179.108 177.584 -0.018 0.000 1.156 560 A CA 0.992 53.012 52.037 -0.029 0.000 0.683 560 A CB -0.852 18.125 19.000 -0.038 0.000 0.808 560 A HN 0.487 nan 8.150 nan 0.000 0.455 561 T N -0.027 114.519 114.554 -0.013 0.000 2.795 561 T HA 0.334 4.700 4.350 0.027 0.000 0.314 561 T C -0.018 174.680 174.700 -0.002 0.000 1.069 561 T CA -0.009 62.086 62.100 -0.009 0.000 1.071 561 T CB 0.215 69.081 68.868 -0.004 0.000 0.988 561 T HN 0.509 nan 8.240 nan 0.000 0.543 562 D N 0.601 120.997 120.400 -0.007 0.000 2.354 562 D HA 0.332 4.988 4.640 0.027 0.000 0.247 562 D C -1.864 174.441 176.300 0.009 0.000 1.138 562 D CA -1.943 52.054 54.000 -0.005 0.000 0.958 562 D CB 0.260 41.047 40.800 -0.021 0.000 1.144 562 D HN 0.177 nan 8.370 nan 0.000 0.458 563 P HA -0.145 nan 4.420 nan 0.000 0.215 563 P C 1.259 178.569 177.300 0.017 0.000 1.157 563 P CA 1.123 64.241 63.100 0.031 0.000 0.874 563 P CB 0.043 31.761 31.700 0.030 0.000 0.790 564 L N -1.996 119.228 121.223 0.002 0.000 2.549 564 L HA -0.055 4.301 4.340 0.027 0.000 0.229 564 L C 0.937 177.810 176.870 0.004 0.000 1.158 564 L CA 0.176 55.014 54.840 -0.005 0.000 0.842 564 L CB -1.159 40.897 42.059 -0.005 0.000 0.952 564 L HN -0.004 nan 8.230 nan 0.000 0.452 565 N N 1.222 119.926 118.700 0.007 0.000 2.431 565 N HA 0.120 4.876 4.740 0.027 0.000 0.265 565 N C -2.371 173.150 175.510 0.017 0.000 1.184 565 N CA -1.185 51.871 53.050 0.010 0.000 0.943 565 N CB 0.666 39.157 38.487 0.006 0.000 1.080 565 N HN -0.119 nan 8.380 nan 0.000 0.477 566 P HA 0.118 nan 4.420 nan 0.000 0.271 566 P C -0.671 176.643 177.300 0.024 0.000 1.216 566 P CA -0.049 63.066 63.100 0.025 0.000 0.776 566 P CB 0.634 32.352 31.700 0.029 0.000 0.881 567 L N 2.527 123.766 121.223 0.026 0.000 2.265 567 L HA 0.300 4.656 4.340 0.027 0.000 0.288 567 L C 1.177 178.060 176.870 0.022 0.000 1.058 567 L CA -0.552 54.303 54.840 0.026 0.000 0.809 567 L CB 0.707 42.784 42.059 0.031 0.000 1.179 567 L HN 0.433 nan 8.230 nan 0.000 0.429 568 T N -0.260 114.306 114.554 0.020 0.000 2.899 568 T HA 0.274 4.640 4.350 0.027 0.000 0.295 568 T C 1.317 176.027 174.700 0.017 0.000 1.033 568 T CA -0.151 61.960 62.100 0.017 0.000 1.084 568 T CB 1.635 70.513 68.868 0.016 0.000 0.979 568 T HN 0.645 nan 8.240 nan 0.000 0.532 569 A N 1.354 124.181 122.820 0.011 0.000 1.986 569 A HA -0.124 4.212 4.320 0.027 0.000 0.220 569 A C 2.147 179.740 177.584 0.016 0.000 1.171 569 A CA 1.907 53.948 52.037 0.007 0.000 0.640 569 A CB -0.998 18.002 19.000 -0.001 0.000 0.811 569 A HN 0.939 nan 8.150 nan 0.000 0.451 570 E N 0.403 120.615 120.200 0.019 0.000 2.077 570 E HA -0.137 4.229 4.350 0.027 0.000 0.193 570 E C 1.536 178.162 176.600 0.043 0.000 0.989 570 E CA 1.359 57.776 56.400 0.028 0.000 0.800 570 E CB -0.204 29.510 29.700 0.023 0.000 0.746 570 E HN 0.579 nan 8.360 nan 0.000 0.452 571 D N 0.356 120.779 120.400 0.038 0.000 2.144 571 D HA -0.100 4.556 4.640 0.027 0.000 0.200 571 D C 1.610 177.947 176.300 0.062 0.000 0.978 571 D CA 0.945 54.972 54.000 0.046 0.000 0.833 571 D CB -0.072 40.748 40.800 0.033 0.000 0.961 571 D HN 0.141 nan 8.370 nan 0.000 0.470 572 K N 0.674 121.106 120.400 0.052 0.000 2.057 572 K HA -0.090 4.246 4.320 0.027 0.000 0.206 572 K C 2.080 178.744 176.600 0.107 0.000 1.050 572 K CA 0.858 57.181 56.287 0.060 0.000 0.935 572 K CB 0.021 32.533 32.500 0.020 0.000 0.715 572 K HN 0.193 nan 8.250 nan 0.000 0.439 573 E N 0.706 120.963 120.200 0.095 0.000 2.106 573 E HA -0.187 4.179 4.350 0.027 0.000 0.192 573 E C 1.948 178.659 176.600 0.184 0.000 0.984 573 E CA 0.708 57.187 56.400 0.131 0.000 0.806 573 E CB -0.029 29.711 29.700 0.067 0.000 0.750 573 E HN 0.093 nan 8.360 nan 0.000 0.458 574 L N 0.897 122.223 121.223 0.172 0.000 2.027 574 L HA -0.148 4.208 4.340 0.027 0.000 0.206 574 L C 2.059 179.089 176.870 0.268 0.000 1.074 574 L CA 1.499 56.489 54.840 0.251 0.000 0.745 574 L CB -0.314 41.856 42.059 0.184 0.000 0.898 574 L HN 0.106 nan 8.230 nan 0.000 0.433 575 L N -1.684 119.642 121.223 0.172 0.000 2.046 575 L HA -0.275 4.081 4.340 0.027 0.000 0.208 575 L C 2.467 179.406 176.870 0.115 0.000 1.077 575 L CA 1.878 56.790 54.840 0.121 0.000 0.747 575 L CB -0.734 41.368 42.059 0.073 0.000 0.896 575 L HN 0.580 nan 8.230 nan 0.000 0.432 576 W N 0.301 121.581 121.300 -0.033 0.000 2.407 576 W HA -0.224 4.447 4.660 0.019 0.000 0.305 576 W C 2.528 179.009 176.519 -0.064 0.000 1.196 576 W CA 1.744 59.037 57.345 -0.087 0.000 1.311 576 W CB -0.474 28.928 29.460 -0.097 0.000 1.135 576 W HN 0.318 nan 8.180 nan 0.000 0.514 577 H N -0.733 118.208 119.070 -0.215 0.000 2.387 577 H HA -0.190 4.376 4.556 0.017 0.000 0.299 577 H C 0.407 175.352 175.328 -0.639 0.000 1.099 577 H CA 1.510 57.275 56.048 -0.472 0.000 1.315 577 H CB -0.634 28.888 29.762 -0.400 0.000 1.380 577 H HN 0.016 nan 8.280 nan 0.000 0.513 578 F N 0.995 120.788 119.950 -0.261 0.000 2.986 578 F HA 0.255 4.785 4.527 0.005 0.000 0.297 578 F C 1.633 177.275 175.800 -0.264 0.000 1.210 578 F CA -0.492 57.347 58.000 -0.267 0.000 1.346 578 F CB 0.126 39.037 39.000 -0.148 0.000 1.007 578 F HN -0.040 nan 8.300 nan 0.000 0.512 579 R N -0.333 119.953 120.500 -0.357 0.000 2.168 579 R HA -0.275 4.081 4.340 0.027 0.000 0.242 579 R C 1.416 177.492 176.300 -0.374 0.000 1.123 579 R CA 2.461 58.251 56.100 -0.516 0.000 0.928 579 R CB -0.693 29.032 30.300 -0.959 0.000 0.873 579 R HN 0.387 nan 8.270 nan 0.000 0.434 580 Y N -0.114 120.079 120.300 -0.178 0.000 2.333 580 Y HA -0.196 4.368 4.550 0.024 0.000 0.290 580 Y C 2.474 178.353 175.900 -0.035 0.000 1.144 580 Y CA 1.355 59.393 58.100 -0.102 0.000 1.228 580 Y CB -0.125 38.276 38.460 -0.098 0.000 0.985 580 Y HN 0.210 nan 8.280 nan 0.000 0.542 581 E N -0.063 120.217 120.200 0.134 0.000 2.107 581 E HA -0.113 4.254 4.350 0.027 0.000 0.191 581 E C 2.067 178.767 176.600 0.166 0.000 0.982 581 E CA 1.451 57.928 56.400 0.128 0.000 0.809 581 E CB -0.178 29.585 29.700 0.105 0.000 0.756 581 E HN 0.197 nan 8.360 nan 0.000 0.459 582 S N 0.414 116.167 115.700 0.088 0.000 2.402 582 S HA -0.038 4.448 4.470 0.027 0.000 0.229 582 S C 1.792 176.429 174.600 0.063 0.000 1.021 582 S CA 0.626 58.877 58.200 0.086 0.000 0.974 582 S CB -0.280 62.878 63.200 -0.070 0.000 0.800 582 S HN 0.310 nan 8.310 nan 0.000 0.484 583 L N 1.252 122.438 121.223 -0.062 0.000 2.187 583 L HA -0.126 4.230 4.340 0.027 0.000 0.213 583 L C 1.831 178.808 176.870 0.178 0.000 1.100 583 L CA 1.314 56.111 54.840 -0.071 0.000 0.765 583 L CB -0.262 41.755 42.059 -0.071 0.000 0.904 583 L HN 0.323 nan 8.230 nan 0.000 0.437 584 K N -1.412 119.036 120.400 0.081 0.000 2.432 584 K HA -0.013 4.324 4.320 0.027 0.000 0.196 584 K C 0.017 176.512 176.600 -0.175 0.000 1.038 584 K CA 0.395 56.639 56.287 -0.071 0.000 0.986 584 K CB 0.071 32.427 32.500 -0.240 0.000 0.782 584 K HN 0.386 nan 8.250 nan 0.000 0.485 585 H N 0.330 119.537 119.070 0.227 0.000 2.691 585 H HA 0.128 4.702 4.556 0.031 0.000 0.281 585 H C -2.141 173.402 175.328 0.359 0.000 1.121 585 H CA -2.190 53.983 56.048 0.209 0.000 1.254 585 H CB 1.339 31.178 29.762 0.127 0.000 1.390 585 H HN -0.094 nan 8.280 nan 0.000 0.491 586 P HA -0.202 nan 4.420 nan 0.000 0.217 586 P C 1.329 178.778 177.300 0.248 0.000 1.151 586 P CA 1.314 64.470 63.100 0.093 0.000 0.849 586 P CB 0.474 32.133 31.700 -0.069 0.000 0.787 587 K N -0.938 119.598 120.400 0.227 0.000 2.442 587 K HA 0.049 4.385 4.320 0.027 0.000 0.198 587 K C 1.850 178.588 176.600 0.230 0.000 1.042 587 K CA 1.000 57.399 56.287 0.186 0.000 0.958 587 K CB -0.886 31.679 32.500 0.108 0.000 0.766 587 K HN 0.070 nan 8.250 nan 0.000 0.474 588 A N -0.776 122.238 122.820 0.325 0.000 2.132 588 A HA -0.008 4.328 4.320 0.027 0.000 0.213 588 A C 1.262 178.982 177.584 0.227 0.000 1.154 588 A CA 0.348 52.521 52.037 0.226 0.000 0.753 588 A CB -0.386 18.717 19.000 0.171 0.000 0.826 588 A HN 0.172 nan 8.150 nan 0.000 0.469 589 Y N 0.737 121.093 120.300 0.093 0.000 2.081 589 Y HA -0.137 4.429 4.550 0.028 0.000 0.280 589 Y C -0.187 175.843 175.900 0.217 0.000 1.163 589 Y CA 2.087 60.240 58.100 0.088 0.000 1.135 589 Y CB -1.918 36.654 38.460 0.186 0.000 0.970 589 Y HN 0.271 nan 8.280 nan 0.000 0.498 590 P HA -0.198 nan 4.420 nan 0.000 0.214 590 P C 1.389 178.972 177.300 0.470 0.000 1.163 590 P CA 2.233 65.583 63.100 0.417 0.000 0.889 590 P CB -0.038 31.831 31.700 0.281 0.000 0.790 591 K N -0.940 119.614 120.400 0.256 0.000 2.057 591 K HA -0.113 4.223 4.320 0.027 0.000 0.206 591 K C 2.075 178.736 176.600 0.102 0.000 1.050 591 K CA 0.998 57.382 56.287 0.162 0.000 0.935 591 K CB -1.263 31.295 32.500 0.096 0.000 0.715 591 K HN 0.114 nan 8.250 nan 0.000 0.439 592 L N 0.827 122.037 121.223 -0.021 0.000 2.012 592 L HA -0.119 4.237 4.340 0.027 0.000 0.210 592 L C 1.937 178.700 176.870 -0.178 0.000 1.073 592 L CA 1.682 56.391 54.840 -0.219 0.000 0.748 592 L CB -0.554 41.157 42.059 -0.579 0.000 0.891 592 L HN 0.028 nan 8.230 nan 0.000 0.431 593 F N -1.365 118.730 119.950 0.242 0.000 2.661 593 F HA 0.026 4.573 4.527 0.033 0.000 0.298 593 F C 2.233 178.276 175.800 0.404 0.000 1.137 593 F CA 0.575 58.801 58.000 0.376 0.000 1.454 593 F CB -0.376 38.955 39.000 0.552 0.000 1.103 593 F HN -0.004 nan 8.300 nan 0.000 0.577 594 S N -1.080 114.844 115.700 0.374 0.000 2.562 594 S HA -0.041 4.445 4.470 0.027 0.000 0.221 594 S C 1.761 176.420 174.600 0.097 0.000 0.975 594 S CA 0.533 58.836 58.200 0.171 0.000 0.918 594 S CB -0.119 63.129 63.200 0.080 0.000 0.772 594 S HN 0.183 nan 8.310 nan 0.000 0.531 595 S N 0.824 116.560 115.700 0.060 0.000 2.540 595 S HA 0.208 4.694 4.470 0.027 0.000 0.218 595 S C 0.419 174.877 174.600 -0.237 0.000 0.977 595 S CA -0.186 57.996 58.200 -0.031 0.000 0.918 595 S CB 0.404 63.631 63.200 0.045 0.000 0.806 595 S HN 0.172 nan 8.310 nan 0.000 0.496 596 V N 3.105 122.808 119.914 -0.352 0.000 2.530 596 V HA 0.165 4.301 4.120 0.027 0.000 0.282 596 V C 0.243 175.818 176.094 -0.865 0.000 1.048 596 V CA -0.412 61.358 62.300 -0.882 0.000 0.997 596 V CB 0.865 31.916 31.823 -1.286 0.000 0.987 596 V HN 0.231 nan 8.190 nan 0.000 0.477 597 K N 4.858 124.767 120.400 -0.817 0.000 2.228 597 K HA 0.089 4.425 4.320 0.027 0.000 0.284 597 K C 0.101 176.403 176.600 -0.496 0.000 1.088 597 K CA 0.198 56.179 56.287 -0.510 0.000 0.941 597 K CB 0.214 32.462 32.500 -0.421 0.000 1.158 597 K HN 0.691 nan 8.250 nan 0.000 0.438 598 W N 1.126 122.282 121.300 -0.240 0.000 2.699 598 W HA -0.002 4.676 4.660 0.029 0.000 0.249 598 W C 1.847 178.182 176.519 -0.307 0.000 1.280 598 W CA 0.006 57.161 57.345 -0.317 0.000 1.345 598 W CB 0.301 29.470 29.460 -0.485 0.000 1.128 598 W HN 0.682 nan 8.180 nan 0.000 0.642 599 G N -0.238 108.528 108.800 -0.057 0.000 3.026 599 G HA2 -0.004 3.972 3.960 0.027 0.000 0.208 599 G HA3 -0.004 3.972 3.960 0.027 0.000 0.208 599 G C 0.356 175.202 174.900 -0.090 0.000 1.169 599 G CA -0.163 44.896 45.100 -0.069 0.000 0.788 599 G HN 0.171 nan 8.290 nan 0.000 0.533 600 Q N -0.108 119.610 119.800 -0.136 0.000 2.363 600 Q HA 0.201 4.557 4.340 0.027 0.000 0.265 600 Q C 0.772 176.688 176.000 -0.140 0.000 1.032 600 Q CA -0.507 55.213 55.803 -0.137 0.000 0.746 600 Q CB 1.790 30.424 28.738 -0.173 0.000 1.237 600 Q HN 0.328 nan 8.270 nan 0.000 0.475 601 Q N 2.164 121.907 119.800 -0.095 0.000 2.197 601 Q HA -0.263 4.093 4.340 0.027 0.000 0.207 601 Q C 0.518 176.456 176.000 -0.102 0.000 0.984 601 Q CA 2.449 58.200 55.803 -0.087 0.000 0.869 601 Q CB 0.314 29.019 28.738 -0.054 0.000 0.906 601 Q HN 0.579 nan 8.270 nan 0.000 0.426 602 E N 0.399 120.547 120.200 -0.087 0.000 2.072 602 E HA -0.079 4.287 4.350 0.027 0.000 0.190 602 E C 1.844 178.405 176.600 -0.066 0.000 0.982 602 E CA 1.048 57.412 56.400 -0.060 0.000 0.803 602 E CB -0.238 29.441 29.700 -0.036 0.000 0.755 602 E HN 0.334 nan 8.360 nan 0.000 0.453 603 I N 0.765 121.254 120.570 -0.134 0.000 2.179 603 I HA -0.189 3.997 4.170 0.027 0.000 0.242 603 I C 2.175 178.143 176.117 -0.248 0.000 1.088 603 I CA 0.927 62.097 61.300 -0.218 0.000 1.357 603 I CB -1.019 36.693 38.000 -0.480 0.000 1.051 603 I HN 0.005 nan 8.210 nan 0.000 0.409 604 V N 1.409 121.144 119.914 -0.299 0.000 2.392 604 V HA -0.259 3.877 4.120 0.027 0.000 0.249 604 V C 2.810 178.675 176.094 -0.383 0.000 1.059 604 V CA 1.757 63.851 62.300 -0.344 0.000 1.051 604 V CB -1.203 30.470 31.823 -0.251 0.000 0.658 604 V HN 0.458 nan 8.190 nan 0.000 0.455 605 A N -0.278 122.390 122.820 -0.253 0.000 1.898 605 A HA -0.214 4.122 4.320 0.027 0.000 0.216 605 A C 2.300 179.894 177.584 0.017 0.000 1.181 605 A CA 1.842 53.784 52.037 -0.158 0.000 0.620 605 A CB -0.426 18.534 19.000 -0.066 0.000 0.819 605 A HN 0.525 nan 8.150 nan 0.000 0.442 606 K N -0.725 119.715 120.400 0.066 0.000 2.103 606 K HA -0.111 4.225 4.320 0.027 0.000 0.207 606 K C 2.057 178.776 176.600 0.198 0.000 1.048 606 K CA 1.777 58.156 56.287 0.154 0.000 0.930 606 K CB -0.385 32.261 32.500 0.244 0.000 0.716 606 K HN 0.502 nan 8.250 nan 0.000 0.444 607 T N 0.435 115.132 114.554 0.238 0.000 2.746 607 T HA -0.148 4.218 4.350 0.027 0.000 0.267 607 T C 1.624 176.574 174.700 0.416 0.000 1.039 607 T CA 1.194 63.484 62.100 0.317 0.000 1.142 607 T CB -0.371 68.637 68.868 0.233 0.000 0.866 607 T HN 0.315 nan 8.240 nan 0.000 0.444 608 Y N 1.650 122.034 120.300 0.140 0.000 2.274 608 Y HA -0.137 4.429 4.550 0.026 0.000 0.290 608 Y C 2.837 178.798 175.900 0.102 0.000 1.145 608 Y CA 0.382 58.556 58.100 0.123 0.000 1.203 608 Y CB -0.222 38.309 38.460 0.119 0.000 0.984 608 Y HN 0.330 nan 8.280 nan 0.000 0.533 609 Q N -0.041 119.916 119.800 0.263 0.000 2.369 609 Q HA -0.113 4.243 4.340 0.027 0.000 0.206 609 Q C 2.093 178.186 176.000 0.156 0.000 0.963 609 Q CA 0.715 56.628 55.803 0.183 0.000 0.894 609 Q CB 0.061 28.896 28.738 0.161 0.000 0.965 609 Q HN 0.576 nan 8.270 nan 0.000 0.475 610 L N 0.073 121.366 121.223 0.117 0.000 2.068 610 L HA -0.122 4.234 4.340 0.027 0.000 0.204 610 L C 2.094 179.021 176.870 0.095 0.000 1.076 610 L CA 0.758 55.613 54.840 0.025 0.000 0.753 610 L CB -0.163 41.840 42.059 -0.093 0.000 0.910 610 L HN 0.238 nan 8.230 nan 0.000 0.439 611 L N -0.369 120.933 121.223 0.132 0.000 2.191 611 L HA -0.176 4.180 4.340 0.027 0.000 0.212 611 L C 2.683 179.607 176.870 0.092 0.000 1.103 611 L CA 0.958 55.855 54.840 0.094 0.000 0.769 611 L CB -0.730 41.335 42.059 0.011 0.000 0.908 611 L HN 0.228 nan 8.230 nan 0.000 0.438 612 A N 0.433 123.314 122.820 0.101 0.000 2.121 612 A HA -0.065 4.271 4.320 0.027 0.000 0.218 612 A C 2.177 179.828 177.584 0.112 0.000 1.154 612 A CA 1.236 53.332 52.037 0.097 0.000 0.679 612 A CB -0.752 18.308 19.000 0.100 0.000 0.795 612 A HN 0.400 nan 8.150 nan 0.000 0.458 613 R N 0.826 121.407 120.500 0.135 0.000 4.792 613 R HA 0.324 4.680 4.340 0.027 0.000 0.205 613 R C 1.143 177.543 176.300 0.167 0.000 1.875 613 R CA 0.312 56.501 56.100 0.148 0.000 1.588 613 R CB -1.569 28.842 30.300 0.184 0.000 1.401 613 R HN 0.753 nan 8.270 nan 0.000 0.834 614 R N 0.652 121.247 120.500 0.158 0.000 2.103 614 R HA -0.192 4.164 4.340 0.027 0.000 0.234 614 R C 2.694 179.124 176.300 0.216 0.000 1.132 614 R CA 2.272 58.493 56.100 0.202 0.000 0.925 614 R CB -0.697 29.699 30.300 0.160 0.000 0.842 614 R HN 0.712 nan 8.270 nan 0.000 0.430 615 E N 0.578 120.865 120.200 0.145 0.000 2.813 615 E HA -0.365 4.001 4.350 0.027 0.000 0.233 615 E C 1.900 178.570 176.600 0.117 0.000 0.922 615 E CA 2.760 59.226 56.400 0.109 0.000 1.351 615 E CB -1.630 28.121 29.700 0.086 0.000 1.349 615 E HN 0.199 nan 8.360 nan 0.000 0.485 616 V N -0.177 119.824 119.914 0.145 0.000 2.252 616 V HA -0.282 3.855 4.120 0.027 0.000 0.249 616 V C 2.191 178.365 176.094 0.133 0.000 1.056 616 V CA 2.821 65.198 62.300 0.128 0.000 1.022 616 V CB -0.796 31.124 31.823 0.162 0.000 0.641 616 V HN 0.742 nan 8.190 nan 0.000 0.445 617 W N 1.253 122.582 121.300 0.048 0.000 2.333 617 W HA -0.214 4.461 4.660 0.026 0.000 0.316 617 W C 2.128 178.608 176.519 -0.065 0.000 1.215 617 W CA 2.123 59.426 57.345 -0.069 0.000 1.278 617 W CB -0.392 29.069 29.460 0.002 0.000 1.154 617 W HN 0.370 nan 8.180 nan 0.000 0.486 618 D N 0.023 120.463 120.400 0.067 0.000 2.221 618 D HA -0.199 4.457 4.640 0.027 0.000 0.204 618 D C 1.942 178.160 176.300 -0.138 0.000 0.982 618 D CA 1.524 55.496 54.000 -0.046 0.000 0.857 618 D CB -0.554 40.291 40.800 0.074 0.000 0.934 618 D HN 0.439 nan 8.370 nan 0.000 0.475 619 Q N 0.066 119.800 119.800 -0.110 0.000 2.319 619 Q HA 0.089 4.445 4.340 0.027 0.000 0.202 619 Q C 0.418 176.321 176.000 -0.162 0.000 0.896 619 Q CA -0.169 55.570 55.803 -0.107 0.000 0.942 619 Q CB 0.545 29.252 28.738 -0.052 0.000 1.083 619 Q HN 0.146 nan 8.270 nan 0.000 0.510 620 S N 0.339 115.884 115.700 -0.258 0.000 2.572 620 S HA 0.408 4.894 4.470 0.027 0.000 0.279 620 S C 0.283 174.701 174.600 -0.304 0.000 1.341 620 S CA -0.596 57.424 58.200 -0.300 0.000 1.043 620 S CB 1.139 64.065 63.200 -0.456 0.000 0.887 620 S HN 0.234 nan 8.310 nan 0.000 0.516 621 A N 2.681 125.363 122.820 -0.231 0.000 2.440 621 A HA 0.428 4.764 4.320 0.027 0.000 0.251 621 A C 0.243 177.680 177.584 -0.245 0.000 1.089 621 A CA -0.679 51.241 52.037 -0.195 0.000 0.779 621 A CB -0.197 18.722 19.000 -0.135 0.000 1.022 621 A HN 1.143 nan 8.150 nan 0.000 0.492 622 L N 2.279 123.371 121.223 -0.219 0.000 2.700 622 L HA 0.066 4.422 4.340 0.027 0.000 0.276 622 L C -0.243 176.515 176.870 -0.186 0.000 1.200 622 L CA 0.782 55.487 54.840 -0.225 0.000 0.951 622 L CB -0.150 41.817 42.059 -0.154 0.000 1.226 622 L HN 0.645 nan 8.230 nan 0.000 0.489 623 D N 3.951 124.222 120.400 -0.215 0.000 2.446 623 D HA 0.161 4.817 4.640 0.027 0.000 0.251 623 D C 1.091 177.303 176.300 -0.147 0.000 1.137 623 D CA -0.045 53.863 54.000 -0.153 0.000 0.890 623 D CB 1.077 41.792 40.800 -0.142 0.000 1.071 623 D HN 0.387 nan 8.370 nan 0.000 0.528 624 V N 2.909 122.722 119.914 -0.168 0.000 2.282 624 V HA -0.087 4.049 4.120 0.027 0.000 0.249 624 V C 2.241 178.216 176.094 -0.198 0.000 1.057 624 V CA 2.030 64.172 62.300 -0.263 0.000 1.032 624 V CB -1.382 30.143 31.823 -0.497 0.000 0.645 624 V HN 0.455 nan 8.190 nan 0.000 0.447 625 G N 0.588 109.317 108.800 -0.119 0.000 2.491 625 G HA2 -0.318 3.658 3.960 0.027 0.000 0.218 625 G HA3 -0.318 3.658 3.960 0.027 0.000 0.218 625 G C 1.569 176.443 174.900 -0.044 0.000 1.180 625 G CA 1.531 46.596 45.100 -0.059 0.000 0.774 625 G HN 0.560 nan 8.290 nan 0.000 0.562 626 L N 0.790 121.993 121.223 -0.033 0.000 2.046 626 L HA -0.012 4.344 4.340 0.027 0.000 0.208 626 L C 2.966 179.845 176.870 0.016 0.000 1.077 626 L CA 2.675 57.523 54.840 0.012 0.000 0.747 626 L CB -0.883 41.196 42.059 0.032 0.000 0.896 626 L HN 0.218 nan 8.230 nan 0.000 0.432 627 T N -0.244 114.300 114.554 -0.017 0.000 2.708 627 T HA -0.178 4.188 4.350 0.027 0.000 0.266 627 T C 1.936 176.590 174.700 -0.077 0.000 1.037 627 T CA 1.825 63.915 62.100 -0.017 0.000 1.146 627 T CB -0.214 68.605 68.868 -0.082 0.000 0.865 627 T HN 0.255 nan 8.240 nan 0.000 0.435 628 M N 1.336 120.880 119.600 -0.093 0.000 2.202 628 M HA -0.102 4.394 4.480 0.027 0.000 0.262 628 M C 2.292 178.550 176.300 -0.069 0.000 1.063 628 M CA 1.475 56.729 55.300 -0.076 0.000 1.097 628 M CB -1.126 31.435 32.600 -0.065 0.000 1.382 628 M HN 0.389 nan 8.290 nan 0.000 0.413 629 Q N 0.244 120.006 119.800 -0.064 0.000 2.170 629 Q HA -0.077 4.279 4.340 0.027 0.000 0.203 629 Q C 1.970 177.853 176.000 -0.195 0.000 0.976 629 Q CA 0.979 56.756 55.803 -0.044 0.000 0.858 629 Q CB -0.216 28.529 28.738 0.012 0.000 0.907 629 Q HN 0.521 nan 8.270 nan 0.000 0.433 630 L N -0.065 120.936 121.223 -0.370 0.000 2.554 630 L HA -0.011 4.345 4.340 0.027 0.000 0.226 630 L C 1.411 178.031 176.870 -0.415 0.000 1.137 630 L CA 0.325 54.700 54.840 -0.774 0.000 0.863 630 L CB 0.164 41.881 42.059 -0.569 0.000 0.985 630 L HN 0.205 nan 8.230 nan 0.000 0.451 631 L N -0.482 120.635 121.223 -0.177 0.000 2.769 631 L HA 0.126 4.482 4.340 0.027 0.000 0.240 631 L C 0.502 177.369 176.870 -0.005 0.000 1.163 631 L CA -0.444 54.363 54.840 -0.055 0.000 0.962 631 L CB -0.117 41.927 42.059 -0.025 0.000 1.258 631 L HN 0.261 nan 8.230 nan 0.000 0.513 632 D N -0.961 119.386 120.400 -0.087 0.000 2.496 632 D HA -0.016 4.640 4.640 0.027 0.000 0.283 632 D C 1.438 177.356 176.300 -0.637 0.000 1.214 632 D CA -0.270 53.444 54.000 -0.477 0.000 1.089 632 D CB 0.247 40.818 40.800 -0.382 0.000 1.141 632 D HN 0.112 nan 8.370 nan 0.000 0.580 633 C N -1.775 116.900 119.300 -1.042 0.000 2.472 633 C HA 0.159 4.635 4.460 0.027 0.000 0.278 633 C C 1.406 176.201 174.990 -0.324 0.000 1.447 633 C CA -0.110 58.520 59.018 -0.647 0.000 1.773 633 C CB -1.867 25.564 27.740 -0.514 0.000 1.793 633 C HN 0.481 nan 8.230 nan 0.000 0.544 634 N N -0.309 118.197 118.700 -0.324 0.000 2.461 634 N HA 0.215 4.971 4.740 0.027 0.000 0.188 634 N C -0.727 174.287 175.510 -0.828 0.000 1.134 634 N CA 0.428 53.173 53.050 -0.509 0.000 0.878 634 N CB -0.038 38.091 38.487 -0.597 0.000 0.972 634 N HN 0.549 nan 8.380 nan 0.000 0.456 635 F N -0.899 118.923 119.950 -0.213 0.000 2.553 635 F HA 0.364 4.906 4.527 0.025 0.000 0.335 635 F C 0.588 176.189 175.800 -0.331 0.000 1.148 635 F CA -0.804 57.050 58.000 -0.244 0.000 0.963 635 F CB 1.935 40.836 39.000 -0.165 0.000 1.217 635 F HN -0.170 nan 8.300 nan 0.000 0.441 636 S N -0.238 115.212 115.700 -0.417 0.000 2.512 636 S HA -0.026 4.460 4.470 0.027 0.000 0.216 636 S C 0.150 174.522 174.600 -0.379 0.000 1.006 636 S CA -0.213 57.683 58.200 -0.506 0.000 0.915 636 S CB 0.033 62.660 63.200 -0.955 0.000 0.824 636 S HN 0.634 nan 8.310 nan 0.000 0.497 637 D N 2.403 122.582 120.400 -0.368 0.000 2.383 637 D HA 0.001 4.657 4.640 0.027 0.000 0.252 637 D C 1.088 177.342 176.300 -0.077 0.000 1.166 637 D CA 0.135 54.022 54.000 -0.189 0.000 0.879 637 D CB 0.970 41.586 40.800 -0.306 0.000 1.164 637 D HN 0.300 nan 8.370 nan 0.000 0.462 638 E N 3.826 124.029 120.200 0.005 0.000 2.038 638 E HA -0.290 4.076 4.350 0.027 0.000 0.195 638 E C 0.962 177.519 176.600 -0.071 0.000 1.000 638 E CA 1.576 57.974 56.400 -0.003 0.000 0.803 638 E CB 0.118 29.845 29.700 0.044 0.000 0.750 638 E HN 0.516 nan 8.360 nan 0.000 0.448 639 N N 0.113 118.740 118.700 -0.121 0.000 2.084 639 N HA -0.153 4.603 4.740 0.027 0.000 0.190 639 N C 1.927 177.291 175.510 -0.244 0.000 1.030 639 N CA 1.586 54.496 53.050 -0.232 0.000 0.849 639 N CB -0.250 37.939 38.487 -0.498 0.000 1.012 639 N HN -0.009 nan 8.380 nan 0.000 0.423 640 V N 1.312 121.077 119.914 -0.247 0.000 2.252 640 V HA -0.261 3.875 4.120 0.027 0.000 0.249 640 V C 2.175 178.062 176.094 -0.346 0.000 1.056 640 V CA 1.760 63.816 62.300 -0.407 0.000 1.022 640 V CB -0.435 31.184 31.823 -0.341 0.000 0.641 640 V HN 0.308 nan 8.190 nan 0.000 0.445 641 R N -0.180 120.188 120.500 -0.220 0.000 2.152 641 R HA -0.069 4.287 4.340 0.027 0.000 0.232 641 R C 2.310 178.526 176.300 -0.140 0.000 1.117 641 R CA 1.236 57.231 56.100 -0.174 0.000 0.981 641 R CB -0.490 29.752 30.300 -0.098 0.000 0.870 641 R HN 0.561 nan 8.270 nan 0.000 0.451 642 A N 1.821 124.565 122.820 -0.127 0.000 1.968 642 A HA -0.101 4.235 4.320 0.027 0.000 0.217 642 A C 2.162 179.703 177.584 -0.071 0.000 1.169 642 A CA 1.101 53.089 52.037 -0.083 0.000 0.638 642 A CB -0.506 18.454 19.000 -0.067 0.000 0.812 642 A HN 0.464 nan 8.150 nan 0.000 0.446 643 I N -3.430 117.067 120.570 -0.121 0.000 2.676 643 I HA 0.082 4.268 4.170 0.027 0.000 0.259 643 I C 2.159 178.350 176.117 0.123 0.000 1.194 643 I CA 1.095 62.372 61.300 -0.038 0.000 1.473 643 I CB -0.267 37.545 38.000 -0.314 0.000 1.096 643 I HN 0.154 nan 8.210 nan 0.000 0.443 644 A N 1.708 124.511 122.820 -0.028 0.000 1.854 644 A HA -0.031 4.305 4.320 0.027 0.000 0.214 644 A C 2.372 179.932 177.584 -0.039 0.000 1.192 644 A CA 1.804 53.862 52.037 0.035 0.000 0.611 644 A CB -1.038 17.901 19.000 -0.101 0.000 0.832 644 A HN 0.302 nan 8.150 nan 0.000 0.442 645 V N 0.714 120.562 119.914 -0.111 0.000 2.332 645 V HA -0.353 3.784 4.120 0.027 0.000 0.248 645 V C 2.761 178.724 176.094 -0.219 0.000 1.055 645 V CA 2.341 64.504 62.300 -0.228 0.000 1.038 645 V CB -0.960 30.770 31.823 -0.156 0.000 0.651 645 V HN 0.790 nan 8.190 nan 0.000 0.450 646 Q N 0.076 119.838 119.800 -0.064 0.000 2.173 646 Q HA -0.338 4.018 4.340 0.027 0.000 0.208 646 Q C 2.186 178.162 176.000 -0.040 0.000 0.989 646 Q CA 2.174 57.971 55.803 -0.009 0.000 0.872 646 Q CB -0.068 28.720 28.738 0.083 0.000 0.909 646 Q HN 0.462 nan 8.270 nan 0.000 0.420 647 K N 0.267 120.647 120.400 -0.032 0.000 2.217 647 K HA 0.037 4.373 4.320 0.027 0.000 0.202 647 K C 1.877 178.375 176.600 -0.171 0.000 1.051 647 K CA 0.635 56.849 56.287 -0.121 0.000 0.952 647 K CB -0.041 32.385 32.500 -0.125 0.000 0.736 647 K HN 0.268 nan 8.250 nan 0.000 0.453 648 L N 0.727 121.791 121.223 -0.265 0.000 2.376 648 L HA -0.067 4.289 4.340 0.027 0.000 0.219 648 L C 1.679 178.414 176.870 -0.225 0.000 1.133 648 L CA 0.619 55.239 54.840 -0.366 0.000 0.816 648 L CB -0.271 41.322 42.059 -0.777 0.000 0.933 648 L HN 0.164 nan 8.230 nan 0.000 0.449 649 E N 0.278 120.391 120.200 -0.146 0.000 2.209 649 E HA -0.184 4.183 4.350 0.027 0.000 0.196 649 E C 2.058 178.731 176.600 0.122 0.000 0.993 649 E CA 1.588 58.055 56.400 0.111 0.000 0.819 649 E CB -0.103 29.643 29.700 0.076 0.000 0.745 649 E HN 0.531 nan 8.360 nan 0.000 0.477 650 S N 0.110 115.832 115.700 0.037 0.000 2.671 650 S HA 0.120 4.606 4.470 0.027 0.000 0.220 650 S C 0.849 175.482 174.600 0.054 0.000 0.951 650 S CA -0.278 57.941 58.200 0.032 0.000 0.932 650 S CB -0.328 62.860 63.200 -0.021 0.000 0.777 650 S HN 0.027 nan 8.310 nan 0.000 0.508 651 L N 3.046 124.331 121.223 0.103 0.000 2.367 651 L HA 0.278 4.634 4.340 0.027 0.000 0.275 651 L C 0.783 177.741 176.870 0.146 0.000 1.129 651 L CA -0.479 54.443 54.840 0.136 0.000 0.839 651 L CB 0.634 42.815 42.059 0.205 0.000 1.133 651 L HN 0.480 nan 8.230 nan 0.000 0.453 652 E N 1.922 122.199 120.200 0.128 0.000 2.374 652 E HA 0.050 4.416 4.350 0.027 0.000 0.260 652 E C -0.285 176.399 176.600 0.140 0.000 1.101 652 E CA -0.829 55.642 56.400 0.119 0.000 0.907 652 E CB 0.960 30.720 29.700 0.100 0.000 1.014 652 E HN 0.476 nan 8.360 nan 0.000 0.427 653 D N 1.504 121.976 120.400 0.120 0.000 2.116 653 D HA -0.232 4.424 4.640 0.027 0.000 0.193 653 D C 1.335 177.705 176.300 0.117 0.000 0.998 653 D CA 1.869 55.931 54.000 0.103 0.000 0.836 653 D CB -0.392 40.461 40.800 0.088 0.000 0.951 653 D HN 0.675 nan 8.370 nan 0.000 0.449 654 D N 0.467 120.973 120.400 0.178 0.000 2.172 654 D HA -0.164 4.493 4.640 0.027 0.000 0.196 654 D C 1.413 177.819 176.300 0.176 0.000 0.999 654 D CA 1.223 55.358 54.000 0.225 0.000 0.856 654 D CB 0.013 40.977 40.800 0.273 0.000 0.934 654 D HN 0.062 nan 8.370 nan 0.000 0.453 655 D N -0.850 119.703 120.400 0.255 0.000 2.162 655 D HA -0.064 4.592 4.640 0.027 0.000 0.203 655 D C 2.287 178.794 176.300 0.345 0.000 0.967 655 D CA 0.378 54.601 54.000 0.371 0.000 0.840 655 D CB -0.070 40.922 40.800 0.319 0.000 0.972 655 D HN 0.152 nan 8.370 nan 0.000 0.482 656 V N 1.393 121.454 119.914 0.244 0.000 2.392 656 V HA -0.221 3.916 4.120 0.027 0.000 0.249 656 V C 2.664 178.845 176.094 0.145 0.000 1.059 656 V CA 1.085 63.525 62.300 0.232 0.000 1.051 656 V CB -0.442 31.471 31.823 0.151 0.000 0.658 656 V HN 0.187 nan 8.190 nan 0.000 0.455 657 L N -0.796 120.434 121.223 0.012 0.000 2.046 657 L HA -0.231 4.125 4.340 0.027 0.000 0.208 657 L C 2.507 179.282 176.870 -0.158 0.000 1.077 657 L CA 1.947 56.711 54.840 -0.128 0.000 0.747 657 L CB -0.732 41.159 42.059 -0.279 0.000 0.896 657 L HN 0.411 nan 8.230 nan 0.000 0.432 658 H N -2.192 116.821 119.070 -0.094 0.000 2.422 658 H HA -0.172 4.400 4.556 0.027 0.000 0.298 658 H C 1.015 176.069 175.328 -0.457 0.000 1.098 658 H CA 1.712 57.562 56.048 -0.330 0.000 1.315 658 H CB 0.082 29.536 29.762 -0.514 0.000 1.382 658 H HN 0.348 nan 8.280 nan 0.000 0.523 659 Y N -1.328 119.041 120.300 0.116 0.000 2.531 659 Y HA 0.070 4.637 4.550 0.027 0.000 0.249 659 Y C 1.529 177.462 175.900 0.055 0.000 1.168 659 Y CA -0.459 57.680 58.100 0.066 0.000 1.226 659 Y CB 0.516 39.023 38.460 0.078 0.000 1.177 659 Y HN 0.094 nan 8.280 nan 0.000 0.527 660 L N 0.412 121.738 121.223 0.172 0.000 1.989 660 L HA -0.226 4.131 4.340 0.027 0.000 0.211 660 L C 2.185 179.121 176.870 0.110 0.000 1.071 660 L CA 1.721 56.678 54.840 0.197 0.000 0.749 660 L CB -0.856 41.364 42.059 0.269 0.000 0.890 660 L HN 0.335 nan 8.230 nan 0.000 0.431 661 L N -0.588 120.567 121.223 -0.113 0.000 2.079 661 L HA -0.221 4.135 4.340 0.027 0.000 0.210 661 L C 2.417 179.150 176.870 -0.227 0.000 1.081 661 L CA 1.782 56.326 54.840 -0.493 0.000 0.752 661 L CB -0.850 40.758 42.059 -0.751 0.000 0.896 661 L HN 0.442 nan 8.230 nan 0.000 0.433 662 Q N -0.699 119.053 119.800 -0.080 0.000 2.137 662 Q HA -0.062 4.294 4.340 0.027 0.000 0.198 662 Q C 2.368 178.387 176.000 0.032 0.000 0.960 662 Q CA 1.445 57.238 55.803 -0.016 0.000 0.847 662 Q CB -0.284 28.493 28.738 0.064 0.000 0.915 662 Q HN 0.535 nan 8.270 nan 0.000 0.448 663 L N 0.071 121.346 121.223 0.086 0.000 2.093 663 L HA -0.131 4.225 4.340 0.027 0.000 0.208 663 L C 2.464 179.394 176.870 0.101 0.000 1.085 663 L CA 0.627 55.537 54.840 0.117 0.000 0.755 663 L CB -0.567 41.608 42.059 0.194 0.000 0.904 663 L HN 0.004 nan 8.230 nan 0.000 0.435 664 V N -0.442 119.527 119.914 0.091 0.000 2.255 664 V HA -0.292 3.844 4.120 0.027 0.000 0.247 664 V C 2.614 178.761 176.094 0.089 0.000 1.051 664 V CA 1.622 63.992 62.300 0.116 0.000 1.018 664 V CB -0.537 31.345 31.823 0.098 0.000 0.641 664 V HN 0.490 nan 8.190 nan 0.000 0.445 665 Q N -0.125 119.651 119.800 -0.040 0.000 2.135 665 Q HA -0.159 4.197 4.340 0.027 0.000 0.204 665 Q C 2.360 178.242 176.000 -0.197 0.000 0.981 665 Q CA 1.816 57.541 55.803 -0.129 0.000 0.856 665 Q CB -0.714 27.918 28.738 -0.177 0.000 0.902 665 Q HN 0.670 nan 8.270 nan 0.000 0.425 666 A N 0.484 123.262 122.820 -0.070 0.000 2.178 666 A HA -0.071 4.265 4.320 0.027 0.000 0.218 666 A C 2.269 179.813 177.584 -0.067 0.000 1.157 666 A CA 0.878 52.920 52.037 0.008 0.000 0.689 666 A CB -0.386 18.690 19.000 0.126 0.000 0.787 666 A HN 0.202 nan 8.150 nan 0.000 0.465 667 V N -0.043 119.803 119.914 -0.112 0.000 2.759 667 V HA -0.207 3.930 4.120 0.027 0.000 0.256 667 V C 2.071 177.927 176.094 -0.398 0.000 1.080 667 V CA 1.931 64.121 62.300 -0.184 0.000 1.101 667 V CB -0.635 31.074 31.823 -0.190 0.000 0.698 667 V HN 0.556 nan 8.190 nan 0.000 0.477 668 K N -0.422 119.598 120.400 -0.635 0.000 2.442 668 K HA -0.027 4.309 4.320 0.027 0.000 0.198 668 K C 1.493 177.696 176.600 -0.662 0.000 1.042 668 K CA 1.224 56.867 56.287 -1.073 0.000 0.958 668 K CB -0.155 31.558 32.500 -1.312 0.000 0.766 668 K HN 0.510 nan 8.250 nan 0.000 0.474 669 F N 0.960 120.795 119.950 -0.191 0.000 2.731 669 F HA 0.098 4.642 4.527 0.029 0.000 0.298 669 F C 0.644 176.376 175.800 -0.114 0.000 1.106 669 F CA -0.596 57.335 58.000 -0.116 0.000 1.329 669 F CB 0.508 39.457 39.000 -0.086 0.000 1.100 669 F HN -0.180 nan 8.300 nan 0.000 0.592 670 E N 2.009 122.217 120.200 0.013 0.000 2.344 670 E HA 0.030 4.397 4.350 0.027 0.000 0.270 670 E C -1.665 174.873 176.600 -0.103 0.000 1.021 670 E CA -1.355 55.026 56.400 -0.031 0.000 0.887 670 E CB 0.711 30.388 29.700 -0.038 0.000 0.997 670 E HN 0.084 nan 8.360 nan 0.000 0.429 671 P HA -0.092 nan 4.420 nan 0.000 0.217 671 P C -0.294 176.647 177.300 -0.597 0.000 1.150 671 P CA 1.332 64.193 63.100 -0.398 0.000 0.832 671 P CB 0.147 31.553 31.700 -0.490 0.000 0.787 672 Y N -2.596 117.606 120.300 -0.163 0.000 2.528 672 Y HA 0.260 4.825 4.550 0.026 0.000 0.335 672 Y C 2.141 177.916 175.900 -0.209 0.000 1.093 672 Y CA -0.724 57.252 58.100 -0.207 0.000 1.134 672 Y CB 0.698 39.096 38.460 -0.103 0.000 1.253 672 Y HN -0.099 nan 8.280 nan 0.000 0.478 673 H N -0.412 118.729 119.070 0.119 0.000 2.357 673 H HA -0.091 4.482 4.556 0.027 0.000 0.301 673 H C -0.015 175.330 175.328 0.027 0.000 1.082 673 H CA 1.329 57.388 56.048 0.018 0.000 1.342 673 H CB 0.120 29.874 29.762 -0.013 0.000 1.389 673 H HN 0.532 nan 8.280 nan 0.000 0.511 674 D N 1.661 122.174 120.400 0.187 0.000 2.411 674 D HA 0.130 4.786 4.640 0.027 0.000 0.225 674 D C -0.365 175.995 176.300 0.099 0.000 1.156 674 D CA -0.183 53.889 54.000 0.119 0.000 0.874 674 D CB 0.389 41.260 40.800 0.118 0.000 1.034 674 D HN 0.240 nan 8.370 nan 0.000 0.502 675 S N 1.696 117.443 115.700 0.079 0.000 2.632 675 S HA 0.684 5.170 4.470 0.027 0.000 0.289 675 S C 1.174 175.813 174.600 0.066 0.000 1.115 675 S CA -0.335 57.907 58.200 0.069 0.000 0.889 675 S CB 1.605 64.842 63.200 0.061 0.000 1.116 675 S HN 0.236 nan 8.310 nan 0.000 0.486 676 A N 0.767 123.622 122.820 0.058 0.000 1.940 676 A HA -0.045 4.291 4.320 0.027 0.000 0.219 676 A C 1.986 179.632 177.584 0.103 0.000 1.176 676 A CA 1.801 53.878 52.037 0.068 0.000 0.631 676 A CB -1.036 17.986 19.000 0.037 0.000 0.814 676 A HN 0.987 nan 8.150 nan 0.000 0.446 677 L N -0.307 120.965 121.223 0.083 0.000 2.046 677 L HA -0.043 4.313 4.340 0.027 0.000 0.208 677 L C 2.686 179.653 176.870 0.162 0.000 1.077 677 L CA 2.177 57.089 54.840 0.120 0.000 0.747 677 L CB -0.965 41.136 42.059 0.070 0.000 0.896 677 L HN 0.345 nan 8.230 nan 0.000 0.432 678 A N -0.317 122.563 122.820 0.100 0.000 1.908 678 A HA -0.233 4.103 4.320 0.027 0.000 0.218 678 A C 2.411 180.055 177.584 0.098 0.000 1.181 678 A CA 1.926 54.012 52.037 0.082 0.000 0.627 678 A CB -0.548 18.481 19.000 0.048 0.000 0.818 678 A HN 0.525 nan 8.150 nan 0.000 0.445 679 R N -2.091 118.475 120.500 0.109 0.000 2.115 679 R HA -0.053 4.303 4.340 0.027 0.000 0.230 679 R C 1.982 178.361 176.300 0.132 0.000 1.111 679 R CA 1.330 57.491 56.100 0.102 0.000 0.976 679 R CB -0.460 29.896 30.300 0.092 0.000 0.870 679 R HN 0.599 nan 8.270 nan 0.000 0.445 680 F N 1.785 121.757 119.950 0.037 0.000 2.102 680 F HA -0.158 4.385 4.527 0.028 0.000 0.298 680 F C 1.830 177.658 175.800 0.047 0.000 1.105 680 F CA 1.422 59.446 58.000 0.040 0.000 1.239 680 F CB -0.288 38.734 39.000 0.036 0.000 0.991 680 F HN -0.129 nan 8.300 nan 0.000 0.474 681 L N -0.392 120.822 121.223 -0.016 0.000 1.994 681 L HA -0.220 4.136 4.340 0.027 0.000 0.208 681 L C 2.507 179.304 176.870 -0.122 0.000 1.071 681 L CA 1.303 56.074 54.840 -0.114 0.000 0.745 681 L CB -1.078 41.008 42.059 0.046 0.000 0.892 681 L HN 0.300 nan 8.230 nan 0.000 0.431 682 L N 0.500 121.708 121.223 -0.025 0.000 1.990 682 L HA -0.277 4.080 4.340 0.027 0.000 0.213 682 L C 2.624 179.500 176.870 0.010 0.000 1.072 682 L CA 2.023 56.879 54.840 0.026 0.000 0.755 682 L CB -0.639 41.458 42.059 0.064 0.000 0.889 682 L HN 0.160 nan 8.230 nan 0.000 0.432 683 K N -1.173 119.206 120.400 -0.034 0.000 2.009 683 K HA -0.201 4.135 4.320 0.027 0.000 0.210 683 K C 2.170 178.714 176.600 -0.092 0.000 1.049 683 K CA 1.465 57.725 56.287 -0.043 0.000 0.929 683 K CB -0.091 32.392 32.500 -0.028 0.000 0.714 683 K HN 0.206 nan 8.250 nan 0.000 0.440 684 R N -0.227 120.127 120.500 -0.244 0.000 2.148 684 R HA -0.019 4.337 4.340 0.027 0.000 0.223 684 R C 2.302 178.545 176.300 -0.096 0.000 1.088 684 R CA 1.204 57.160 56.100 -0.240 0.000 0.985 684 R CB -0.832 29.164 30.300 -0.506 0.000 0.880 684 R HN 0.466 nan 8.270 nan 0.000 0.451 685 G N 0.690 109.444 108.800 -0.077 0.000 2.394 685 G HA2 -0.151 3.825 3.960 0.027 0.000 0.215 685 G HA3 -0.151 3.825 3.960 0.027 0.000 0.215 685 G C 1.488 176.520 174.900 0.219 0.000 1.165 685 G CA 0.054 45.139 45.100 -0.025 0.000 0.784 685 G HN 0.207 nan 8.290 nan 0.000 0.535 686 L N -0.253 121.105 121.223 0.226 0.000 2.395 686 L HA 0.154 4.510 4.340 0.027 0.000 0.218 686 L C 2.739 179.660 176.870 0.084 0.000 1.130 686 L CA 0.404 55.368 54.840 0.206 0.000 0.826 686 L CB -0.122 41.990 42.059 0.090 0.000 0.941 686 L HN 0.188 nan 8.230 nan 0.000 0.451 687 R N 0.030 120.587 120.500 0.095 0.000 2.173 687 R HA 0.008 4.364 4.340 0.027 0.000 0.208 687 R C 0.577 177.017 176.300 0.233 0.000 1.035 687 R CA 0.397 56.550 56.100 0.089 0.000 1.004 687 R CB 0.405 30.730 30.300 0.043 0.000 0.917 687 R HN 0.185 nan 8.270 nan 0.000 0.462 688 N N 0.455 119.302 118.700 0.244 0.000 2.430 688 N HA 0.090 4.846 4.740 0.027 0.000 0.290 688 N C -0.441 175.177 175.510 0.180 0.000 1.063 688 N CA -0.257 52.919 53.050 0.210 0.000 0.883 688 N CB 1.884 40.433 38.487 0.102 0.000 1.465 688 N HN -0.053 nan 8.380 nan 0.000 0.493 689 K N 1.838 122.267 120.400 0.047 0.000 2.097 689 K HA -0.107 4.230 4.320 0.027 0.000 0.206 689 K C 1.691 178.235 176.600 -0.093 0.000 1.049 689 K CA 1.029 57.249 56.287 -0.113 0.000 0.933 689 K CB 0.240 32.452 32.500 -0.481 0.000 0.717 689 K HN 0.494 nan 8.250 nan 0.000 0.442 690 R N 1.132 121.557 120.500 -0.126 0.000 2.092 690 R HA -0.050 4.306 4.340 0.027 0.000 0.231 690 R C 2.145 178.500 176.300 0.092 0.000 1.119 690 R CA 1.022 57.066 56.100 -0.093 0.000 0.970 690 R CB -0.080 30.091 30.300 -0.214 0.000 0.864 690 R HN 0.125 nan 8.270 nan 0.000 0.440 691 I N 0.000 120.596 120.570 0.043 0.000 2.353 691 I HA -0.117 4.069 4.170 0.027 0.000 0.248 691 I C 2.422 178.555 176.117 0.027 0.000 1.119 691 I CA 1.213 62.544 61.300 0.052 0.000 1.417 691 I CB -0.583 37.417 38.000 0.001 0.000 1.078 691 I HN 0.390 nan 8.210 nan 0.000 0.421 692 G N 0.124 108.952 108.800 0.047 0.000 2.446 692 G HA2 -0.357 3.619 3.960 0.027 0.000 0.217 692 G HA3 -0.357 3.619 3.960 0.027 0.000 0.217 692 G C 1.480 176.410 174.900 0.051 0.000 1.168 692 G CA 1.375 46.456 45.100 -0.030 0.000 0.771 692 G HN 0.429 nan 8.290 nan 0.000 0.551 693 H N -0.112 119.018 119.070 0.100 0.000 2.289 693 H HA -0.072 4.500 4.556 0.027 0.000 0.296 693 H C 2.188 177.481 175.328 -0.058 0.000 1.091 693 H CA 2.009 58.121 56.048 0.106 0.000 1.274 693 H CB -0.328 29.332 29.762 -0.170 0.000 1.364 693 H HN 0.371 nan 8.280 nan 0.000 0.490 694 F N -0.790 119.120 119.950 -0.066 0.000 2.325 694 F HA -0.054 4.489 4.527 0.027 0.000 0.299 694 F C 2.264 177.625 175.800 -0.732 0.000 1.090 694 F CA 0.450 58.145 58.000 -0.508 0.000 1.392 694 F CB -0.208 38.461 39.000 -0.551 0.000 1.053 694 F HN 0.226 nan 8.300 nan 0.000 0.521 695 L N -0.286 120.803 121.223 -0.224 0.000 2.046 695 L HA -0.220 4.137 4.340 0.027 0.000 0.208 695 L C 2.213 178.923 176.870 -0.266 0.000 1.077 695 L CA 1.645 56.358 54.840 -0.213 0.000 0.747 695 L CB -1.176 40.680 42.059 -0.338 0.000 0.896 695 L HN 0.175 nan 8.230 nan 0.000 0.432 696 F N -0.738 118.899 119.950 -0.521 0.000 2.043 696 F HA -0.303 4.240 4.527 0.027 0.000 0.297 696 F C 1.945 177.399 175.800 -0.576 0.000 1.121 696 F CA 2.284 59.900 58.000 -0.640 0.000 1.199 696 F CB -0.739 37.626 39.000 -1.059 0.000 0.968 696 F HN 0.139 nan 8.300 nan 0.000 0.478 697 W N -0.518 120.583 121.300 -0.331 0.000 2.402 697 W HA -0.080 4.596 4.660 0.026 0.000 0.286 697 W C 2.442 178.876 176.519 -0.142 0.000 1.221 697 W CA 1.080 58.249 57.345 -0.293 0.000 1.257 697 W CB -0.767 28.554 29.460 -0.232 0.000 1.120 697 W HN 0.033 nan 8.180 nan 0.000 0.551 698 F N -0.272 119.702 119.950 0.039 0.000 2.146 698 F HA -0.200 4.343 4.527 0.027 0.000 0.298 698 F C 2.119 177.779 175.800 -0.235 0.000 1.096 698 F CA 0.569 58.533 58.000 -0.060 0.000 1.275 698 F CB -0.732 38.251 39.000 -0.030 0.000 1.008 698 F HN -0.204 nan 8.300 nan 0.000 0.480 699 L N -0.168 120.995 121.223 -0.101 0.000 2.056 699 L HA -0.170 4.186 4.340 0.027 0.000 0.207 699 L C 2.576 179.242 176.870 -0.340 0.000 1.078 699 L CA 1.128 55.815 54.840 -0.255 0.000 0.749 699 L CB -0.572 41.389 42.059 -0.163 0.000 0.901 699 L HN 0.043 nan 8.230 nan 0.000 0.433 700 R N -0.440 119.794 120.500 -0.443 0.000 2.120 700 R HA -0.172 4.184 4.340 0.027 0.000 0.234 700 R C 2.582 178.752 176.300 -0.218 0.000 1.123 700 R CA 1.460 57.288 56.100 -0.454 0.000 0.975 700 R CB -0.145 29.665 30.300 -0.816 0.000 0.866 700 R HN 0.221 nan 8.270 nan 0.000 0.446 701 S N 0.349 115.978 115.700 -0.118 0.000 2.370 701 S HA -0.145 4.341 4.470 0.027 0.000 0.226 701 S C 1.606 176.128 174.600 -0.130 0.000 1.033 701 S CA 1.330 59.505 58.200 -0.042 0.000 1.011 701 S CB -0.062 63.160 63.200 0.035 0.000 0.852 701 S HN 0.362 nan 8.310 nan 0.000 0.457 702 E N 0.658 120.693 120.200 -0.275 0.000 2.112 702 E HA 0.047 4.413 4.350 0.027 0.000 0.190 702 E C 2.100 178.576 176.600 -0.207 0.000 0.979 702 E CA 0.725 56.913 56.400 -0.355 0.000 0.814 702 E CB -0.349 28.830 29.700 -0.869 0.000 0.762 702 E HN 0.614 nan 8.360 nan 0.000 0.460 703 I N 1.166 121.621 120.570 -0.190 0.000 2.361 703 I HA -0.213 3.973 4.170 0.027 0.000 0.251 703 I C 2.282 178.377 176.117 -0.036 0.000 1.133 703 I CA 1.087 62.336 61.300 -0.085 0.000 1.413 703 I CB -0.198 37.745 38.000 -0.096 0.000 1.073 703 I HN -0.032 nan 8.210 nan 0.000 0.424 704 A N -0.046 122.751 122.820 -0.038 0.000 2.169 704 A HA -0.056 4.280 4.320 0.027 0.000 0.212 704 A C 1.849 179.451 177.584 0.030 0.000 1.153 704 A CA 0.739 52.783 52.037 0.012 0.000 0.756 704 A CB -0.130 18.880 19.000 0.017 0.000 0.813 704 A HN 0.596 nan 8.150 nan 0.000 0.471 705 Q N -1.683 118.125 119.800 0.012 0.000 2.089 705 Q HA 0.249 4.605 4.340 0.027 0.000 0.227 705 Q C 0.079 176.099 176.000 0.034 0.000 0.774 705 Q CA 0.212 56.031 55.803 0.026 0.000 0.960 705 Q CB 0.539 29.284 28.738 0.012 0.000 1.179 705 Q HN 0.285 nan 8.270 nan 0.000 0.460 706 S N 1.116 116.836 115.700 0.033 0.000 2.601 706 S HA 0.312 4.798 4.470 0.027 0.000 0.312 706 S C 0.575 175.221 174.600 0.076 0.000 1.107 706 S CA -0.636 57.611 58.200 0.078 0.000 1.129 706 S CB 0.501 63.762 63.200 0.102 0.000 0.982 706 S HN 0.232 nan 8.310 nan 0.000 0.469 707 R N 2.509 123.039 120.500 0.050 0.000 2.189 707 R HA -0.024 4.332 4.340 0.027 0.000 0.218 707 R C 0.949 177.165 176.300 -0.140 0.000 1.074 707 R CA 1.087 57.200 56.100 0.021 0.000 0.991 707 R CB -0.361 30.021 30.300 0.138 0.000 0.883 707 R HN 0.698 nan 8.270 nan 0.000 0.457 708 H N -0.790 118.014 119.070 -0.442 0.000 2.387 708 H HA -0.094 4.478 4.556 0.027 0.000 0.299 708 H C 0.650 175.593 175.328 -0.642 0.000 1.090 708 H CA 1.498 57.079 56.048 -0.779 0.000 1.332 708 H CB 0.031 29.221 29.762 -0.953 0.000 1.386 708 H HN 0.255 nan 8.280 nan 0.000 0.516 709 Y N -0.217 120.135 120.300 0.086 0.000 2.563 709 Y HA 0.037 4.603 4.550 0.027 0.000 0.250 709 Y C 1.999 177.992 175.900 0.156 0.000 1.126 709 Y CA -0.307 57.862 58.100 0.115 0.000 1.231 709 Y CB 0.436 39.050 38.460 0.255 0.000 1.288 709 Y HN 0.202 nan 8.280 nan 0.000 0.537 710 Q N 0.667 120.555 119.800 0.146 0.000 2.152 710 Q HA -0.275 4.081 4.340 0.027 0.000 0.206 710 Q C 1.271 177.111 176.000 -0.267 0.000 0.985 710 Q CA 2.115 57.898 55.803 -0.033 0.000 0.863 710 Q CB -0.404 28.219 28.738 -0.191 0.000 0.904 710 Q HN 0.546 nan 8.270 nan 0.000 0.422 711 Q N 0.652 120.239 119.800 -0.355 0.000 2.020 711 Q HA -0.176 4.180 4.340 0.027 0.000 0.202 711 Q C 2.304 178.143 176.000 -0.268 0.000 0.982 711 Q CA 1.705 57.262 55.803 -0.410 0.000 0.838 711 Q CB -0.257 28.323 28.738 -0.263 0.000 0.899 711 Q HN 0.435 nan 8.270 nan 0.000 0.423 712 R N 0.353 120.733 120.500 -0.200 0.000 2.073 712 R HA -0.148 4.208 4.340 0.027 0.000 0.234 712 R C 2.011 178.198 176.300 -0.189 0.000 1.134 712 R CA 1.480 57.460 56.100 -0.200 0.000 0.952 712 R CB -0.260 30.018 30.300 -0.036 0.000 0.850 712 R HN 0.194 nan 8.270 nan 0.000 0.433 713 F N 0.603 120.524 119.950 -0.049 0.000 2.216 713 F HA -0.084 4.459 4.527 0.027 0.000 0.300 713 F C 2.551 178.291 175.800 -0.101 0.000 1.085 713 F CA 0.913 58.871 58.000 -0.071 0.000 1.326 713 F CB -0.206 38.745 39.000 -0.081 0.000 1.027 713 F HN 0.228 nan 8.300 nan 0.000 0.497 714 A N -0.174 122.664 122.820 0.029 0.000 1.898 714 A HA -0.109 4.227 4.320 0.027 0.000 0.216 714 A C 2.295 179.880 177.584 0.003 0.000 1.181 714 A CA 1.635 53.668 52.037 -0.006 0.000 0.620 714 A CB -1.133 17.855 19.000 -0.021 0.000 0.819 714 A HN 0.151 nan 8.150 nan 0.000 0.442 715 V N 0.244 120.141 119.914 -0.028 0.000 2.407 715 V HA -0.264 3.872 4.120 0.027 0.000 0.248 715 V C 2.377 178.473 176.094 0.003 0.000 1.055 715 V CA 2.034 64.319 62.300 -0.024 0.000 1.049 715 V CB -0.659 31.120 31.823 -0.074 0.000 0.662 715 V HN 0.568 nan 8.190 nan 0.000 0.455 716 I N -0.807 119.770 120.570 0.012 0.000 2.286 716 I HA -0.183 4.003 4.170 0.027 0.000 0.245 716 I C 2.325 178.489 176.117 0.078 0.000 1.104 716 I CA 1.031 62.358 61.300 0.045 0.000 1.397 716 I CB -0.309 37.720 38.000 0.049 0.000 1.072 716 I HN 0.298 nan 8.210 nan 0.000 0.417 717 L N 1.006 122.263 121.223 0.058 0.000 2.046 717 L HA -0.211 4.145 4.340 0.027 0.000 0.208 717 L C 2.452 179.375 176.870 0.087 0.000 1.077 717 L CA 1.894 56.765 54.840 0.052 0.000 0.747 717 L CB -0.780 41.235 42.059 -0.072 0.000 0.896 717 L HN 0.263 nan 8.230 nan 0.000 0.432 718 E N -0.408 119.815 120.200 0.038 0.000 2.051 718 E HA -0.256 4.110 4.350 0.027 0.000 0.192 718 E C 2.066 178.689 176.600 0.039 0.000 0.991 718 E CA 1.262 57.674 56.400 0.019 0.000 0.799 718 E CB -0.160 29.542 29.700 0.004 0.000 0.748 718 E HN 0.581 nan 8.360 nan 0.000 0.449 719 A N 0.821 123.675 122.820 0.057 0.000 1.903 719 A HA -0.258 4.078 4.320 0.027 0.000 0.219 719 A C 2.132 179.772 177.584 0.093 0.000 1.191 719 A CA 1.914 53.989 52.037 0.064 0.000 0.638 719 A CB -1.232 17.806 19.000 0.063 0.000 0.823 719 A HN 0.634 nan 8.150 nan 0.000 0.451 720 Y N 0.407 120.722 120.300 0.025 0.000 2.145 720 Y HA -0.150 4.417 4.550 0.027 0.000 0.286 720 Y C 1.913 177.856 175.900 0.072 0.000 1.145 720 Y CA 1.822 59.948 58.100 0.043 0.000 1.148 720 Y CB -0.474 38.010 38.460 0.041 0.000 0.981 720 Y HN 0.204 nan 8.280 nan 0.000 0.507 721 L N 0.139 121.260 121.223 -0.171 0.000 2.191 721 L HA -0.196 4.160 4.340 0.027 0.000 0.212 721 L C 2.186 178.980 176.870 -0.126 0.000 1.103 721 L CA 1.295 56.000 54.840 -0.225 0.000 0.769 721 L CB -0.394 41.631 42.059 -0.056 0.000 0.908 721 L HN 0.169 nan 8.230 nan 0.000 0.438 722 R N -0.607 119.865 120.500 -0.046 0.000 2.313 722 R HA 0.042 4.399 4.340 0.027 0.000 0.199 722 R C 1.491 177.796 176.300 0.007 0.000 0.958 722 R CA 0.561 56.699 56.100 0.062 0.000 1.047 722 R CB 0.113 30.469 30.300 0.093 0.000 0.955 722 R HN 0.336 nan 8.270 nan 0.000 0.481 723 G N -0.630 108.117 108.800 -0.088 0.000 3.215 723 G HA2 -0.093 3.883 3.960 0.027 0.000 0.236 723 G HA3 -0.093 3.883 3.960 0.027 0.000 0.236 723 G C 1.180 176.006 174.900 -0.124 0.000 1.029 723 G CA -0.117 44.930 45.100 -0.089 0.000 0.909 723 G HN 0.417 nan 8.290 nan 0.000 0.543 724 C N -0.069 119.108 119.300 -0.206 0.000 2.456 724 C HA 0.541 5.017 4.460 0.027 0.000 0.279 724 C C 1.583 176.618 174.990 0.075 0.000 1.427 724 C CA -0.091 58.868 59.018 -0.099 0.000 1.778 724 C CB -1.242 26.317 27.740 -0.302 0.000 1.842 724 C HN 1.367 nan 8.230 nan 0.000 0.531 725 G N -0.308 108.506 108.800 0.023 0.000 2.699 725 G HA2 -0.031 3.945 3.960 0.027 0.000 0.686 725 G HA3 -0.031 3.945 3.960 0.027 0.000 0.686 725 G C 0.110 175.032 174.900 0.038 0.000 1.301 725 G CA -0.125 45.007 45.100 0.054 0.000 0.816 725 G HN 0.348 nan 8.290 nan 0.000 0.595 726 T N 1.046 115.620 114.554 0.033 0.000 2.777 726 T HA 0.125 4.491 4.350 0.027 0.000 0.266 726 T C 2.923 177.634 174.700 0.020 0.000 1.040 726 T CA 2.620 64.741 62.100 0.035 0.000 1.141 726 T CB -0.461 68.416 68.868 0.014 0.000 0.868 726 T HN 1.662 nan 8.240 nan 0.000 0.444 727 A N 2.056 124.873 122.820 -0.006 0.000 1.917 727 A HA -0.139 4.197 4.320 0.027 0.000 0.219 727 A C 2.353 179.875 177.584 -0.102 0.000 1.182 727 A CA 1.629 53.649 52.037 -0.029 0.000 0.633 727 A CB -0.625 18.344 19.000 -0.052 0.000 0.819 727 A HN 0.395 nan 8.150 nan 0.000 0.448 728 M N -0.954 118.537 119.600 -0.181 0.000 2.193 728 M HA 0.021 4.517 4.480 0.027 0.000 0.265 728 M C 2.176 178.206 176.300 -0.451 0.000 1.071 728 M CA 1.009 56.032 55.300 -0.460 0.000 1.140 728 M CB -0.826 31.536 32.600 -0.396 0.000 1.369 728 M HN 0.372 nan 8.290 nan 0.000 0.423 729 L N -0.632 120.532 121.223 -0.098 0.000 2.127 729 L HA -0.254 4.102 4.340 0.027 0.000 0.211 729 L C 2.617 179.510 176.870 0.039 0.000 1.089 729 L CA 1.356 56.224 54.840 0.048 0.000 0.757 729 L CB -0.874 41.243 42.059 0.096 0.000 0.899 729 L HN 0.366 nan 8.230 nan 0.000 0.434 730 H N -0.101 118.919 119.070 -0.083 0.000 2.372 730 H HA -0.120 4.452 4.556 0.027 0.000 0.301 730 H C 1.826 177.104 175.328 -0.083 0.000 1.065 730 H CA 1.603 57.616 56.048 -0.058 0.000 1.364 730 H CB 0.080 29.812 29.762 -0.051 0.000 1.406 730 H HN 0.166 nan 8.280 nan 0.000 0.521 731 D N -0.034 120.181 120.400 -0.309 0.000 2.117 731 D HA -0.151 4.505 4.640 0.027 0.000 0.197 731 D C 2.157 178.307 176.300 -0.251 0.000 0.987 731 D CA 1.131 54.916 54.000 -0.358 0.000 0.829 731 D CB -0.602 39.973 40.800 -0.375 0.000 0.961 731 D HN 0.423 nan 8.370 nan 0.000 0.460 732 F N 1.012 120.810 119.950 -0.254 0.000 2.126 732 F HA -0.206 4.337 4.527 0.027 0.000 0.299 732 F C 2.639 178.308 175.800 -0.219 0.000 1.096 732 F CA 0.993 58.758 58.000 -0.391 0.000 1.255 732 F CB -0.490 38.058 39.000 -0.754 0.000 0.997 732 F HN -0.076 nan 8.300 nan 0.000 0.479 733 T N -0.532 114.026 114.554 0.007 0.000 2.720 733 T HA -0.253 4.113 4.350 0.027 0.000 0.268 733 T C 1.794 176.484 174.700 -0.016 0.000 1.037 733 T CA 1.490 63.589 62.100 -0.001 0.000 1.144 733 T CB -0.331 68.538 68.868 0.002 0.000 0.864 733 T HN 0.357 nan 8.240 nan 0.000 0.444 734 Q N 0.516 120.265 119.800 -0.085 0.000 2.046 734 Q HA -0.108 4.248 4.340 0.027 0.000 0.200 734 Q C 2.649 178.666 176.000 0.028 0.000 0.975 734 Q CA 1.228 57.003 55.803 -0.048 0.000 0.836 734 Q CB -0.164 28.519 28.738 -0.091 0.000 0.896 734 Q HN 0.628 nan 8.270 nan 0.000 0.428 735 Q N -0.111 119.763 119.800 0.122 0.000 2.096 735 Q HA -0.155 4.201 4.340 0.027 0.000 0.204 735 Q C 2.190 178.344 176.000 0.257 0.000 0.982 735 Q CA 1.582 57.527 55.803 0.237 0.000 0.850 735 Q CB -0.142 28.905 28.738 0.514 0.000 0.901 735 Q HN 0.197 nan 8.270 nan 0.000 0.422 736 V N 1.115 121.174 119.914 0.241 0.000 2.427 736 V HA -0.272 3.864 4.120 0.027 0.000 0.248 736 V C 2.130 178.298 176.094 0.125 0.000 1.051 736 V CA 1.855 64.285 62.300 0.217 0.000 1.048 736 V CB -0.544 31.355 31.823 0.127 0.000 0.666 736 V HN 0.370 nan 8.190 nan 0.000 0.456 737 Q N -0.571 119.264 119.800 0.059 0.000 2.046 737 Q HA -0.141 4.215 4.340 0.027 0.000 0.200 737 Q C 2.412 178.398 176.000 -0.023 0.000 0.975 737 Q CA 1.692 57.506 55.803 0.018 0.000 0.836 737 Q CB -0.353 28.387 28.738 0.004 0.000 0.896 737 Q HN 0.512 nan 8.270 nan 0.000 0.428 738 V N 1.817 121.674 119.914 -0.096 0.000 2.231 738 V HA -0.308 3.828 4.120 0.027 0.000 0.248 738 V C 2.330 178.345 176.094 -0.131 0.000 1.054 738 V CA 2.226 64.390 62.300 -0.227 0.000 1.015 738 V CB -0.777 30.656 31.823 -0.649 0.000 0.638 738 V HN 0.493 nan 8.190 nan 0.000 0.444 739 I N -0.984 119.598 120.570 0.020 0.000 2.454 739 I HA -0.176 4.010 4.170 0.027 0.000 0.254 739 I C 2.102 178.309 176.117 0.149 0.000 1.156 739 I CA 1.656 63.098 61.300 0.238 0.000 1.433 739 I CB -0.873 37.373 38.000 0.410 0.000 1.082 739 I HN 0.323 nan 8.210 nan 0.000 0.432 740 E N 0.655 120.908 120.200 0.089 0.000 2.107 740 E HA -0.101 4.265 4.350 0.027 0.000 0.191 740 E C 2.200 178.800 176.600 -0.001 0.000 0.982 740 E CA 1.368 57.805 56.400 0.061 0.000 0.809 740 E CB -0.183 29.550 29.700 0.055 0.000 0.756 740 E HN 0.578 nan 8.360 nan 0.000 0.459 741 M N 0.212 119.787 119.600 -0.042 0.000 2.156 741 M HA -0.078 4.418 4.480 0.027 0.000 0.264 741 M C 2.049 178.271 176.300 -0.131 0.000 1.067 741 M CA 1.091 56.350 55.300 -0.069 0.000 1.131 741 M CB -0.026 32.536 32.600 -0.064 0.000 1.368 741 M HN 0.091 nan 8.290 nan 0.000 0.416 742 L N -0.147 120.929 121.223 -0.246 0.000 2.465 742 L HA -0.140 4.217 4.340 0.027 0.000 0.224 742 L C 2.478 179.099 176.870 -0.414 0.000 1.145 742 L CA 0.631 55.184 54.840 -0.479 0.000 0.834 742 L CB -0.541 40.910 42.059 -1.013 0.000 0.944 742 L HN 0.449 nan 8.230 nan 0.000 0.451 743 Q N 0.788 120.493 119.800 -0.159 0.000 1.994 743 Q HA -0.181 4.175 4.340 0.027 0.000 0.198 743 Q C 2.098 178.081 176.000 -0.029 0.000 0.976 743 Q CA 1.246 57.053 55.803 0.006 0.000 0.828 743 Q CB 0.144 28.933 28.738 0.085 0.000 0.894 743 Q HN 0.333 nan 8.270 nan 0.000 0.432 744 K N -0.191 120.187 120.400 -0.037 0.000 2.127 744 K HA -0.185 4.151 4.320 0.027 0.000 0.208 744 K C 2.057 178.630 176.600 -0.044 0.000 1.047 744 K CA 1.709 57.974 56.287 -0.036 0.000 0.927 744 K CB -0.160 32.322 32.500 -0.030 0.000 0.716 744 K HN 0.141 nan 8.250 nan 0.000 0.450 745 V N 0.426 120.302 119.914 -0.064 0.000 2.270 745 V HA -0.214 3.922 4.120 0.027 0.000 0.245 745 V C 2.394 178.469 176.094 -0.033 0.000 1.043 745 V CA 2.227 64.494 62.300 -0.055 0.000 1.014 745 V CB -0.594 31.181 31.823 -0.080 0.000 0.645 745 V HN 0.431 nan 8.190 nan 0.000 0.447 746 T N -0.367 114.170 114.554 -0.029 0.000 3.007 746 T HA -0.089 4.277 4.350 0.027 0.000 0.270 746 T C 1.766 176.471 174.700 0.008 0.000 1.107 746 T CA 1.735 63.855 62.100 0.034 0.000 1.118 746 T CB -0.216 68.730 68.868 0.129 0.000 0.889 746 T HN 0.408 nan 8.240 nan 0.000 0.506 747 L N 0.574 121.772 121.223 -0.041 0.000 2.049 747 L HA 0.203 4.559 4.340 0.027 0.000 0.203 747 L C 2.425 179.266 176.870 -0.048 0.000 1.074 747 L CA 2.217 57.001 54.840 -0.094 0.000 0.749 747 L CB -1.415 40.578 42.059 -0.110 0.000 0.907 747 L HN 0.265 nan 8.230 nan 0.000 0.439 748 D N 0.158 120.540 120.400 -0.030 0.000 2.371 748 D HA 0.111 4.767 4.640 0.027 0.000 0.221 748 D C 1.932 178.230 176.300 -0.004 0.000 0.986 748 D CA 1.518 55.508 54.000 -0.016 0.000 0.899 748 D CB -0.016 40.775 40.800 -0.016 0.000 0.902 748 D HN 0.622 nan 8.370 nan 0.000 0.530 749 I N 0.618 121.190 120.570 0.004 0.000 2.556 749 I HA 0.052 4.238 4.170 0.027 0.000 0.251 749 I C 2.595 178.729 176.117 0.028 0.000 1.105 749 I CA 1.431 62.741 61.300 0.018 0.000 1.436 749 I CB -1.420 36.597 38.000 0.028 0.000 1.139 749 I HN 0.142 nan 8.210 nan 0.000 0.438 750 K N 1.519 121.941 120.400 0.036 0.000 2.089 750 K HA -0.291 4.045 4.320 0.027 0.000 0.210 750 K C 2.521 179.144 176.600 0.039 0.000 1.048 750 K CA 2.635 58.953 56.287 0.052 0.000 0.926 750 K CB -1.698 30.847 32.500 0.075 0.000 0.714 750 K HN 1.111 nan 8.250 nan 0.000 0.448 751 S N -0.219 115.496 115.700 0.025 0.000 2.338 751 S HA 0.227 4.713 4.470 0.027 0.000 0.218 751 S C 1.850 176.461 174.600 0.019 0.000 1.032 751 S CA 1.268 59.481 58.200 0.021 0.000 0.999 751 S CB -1.382 61.825 63.200 0.012 0.000 0.905 751 S HN 1.155 nan 8.310 nan 0.000 0.439 760 S N 2.135 117.839 115.700 0.007 0.000 2.690 760 S HA 0.688 5.174 4.470 0.027 0.000 0.291 760 S C 1.008 175.608 174.600 0.000 0.000 1.138 760 S CA 0.174 58.376 58.200 0.003 0.000 1.013 760 S CB 1.788 64.991 63.200 0.004 0.000 1.053 760 S HN 1.309 nan 8.310 nan 0.000 0.539 761 S N 0.636 116.335 115.700 -0.003 0.000 2.489 761 S HA 0.019 4.505 4.470 0.027 0.000 0.228 761 S C 2.460 177.058 174.600 -0.004 0.000 0.995 761 S CA 1.035 59.232 58.200 -0.005 0.000 0.934 761 S CB -0.775 62.421 63.200 -0.007 0.000 0.771 761 S HN 0.893 nan 8.310 nan 0.000 0.522 762 Q N 0.472 120.271 119.800 -0.001 0.000 2.291 762 Q HA 0.018 4.374 4.340 0.027 0.000 0.206 762 Q C 2.131 178.132 176.000 0.001 0.000 0.976 762 Q CA 1.626 57.429 55.803 -0.000 0.000 0.875 762 Q CB -0.917 27.822 28.738 0.001 0.000 0.927 762 Q HN 0.534 nan 8.270 nan 0.000 0.450 763 V N -0.394 119.521 119.914 0.002 0.000 2.949 763 V HA 0.011 4.147 4.120 0.027 0.000 0.245 763 V C 2.772 178.867 176.094 0.002 0.000 1.086 763 V CA 1.120 63.423 62.300 0.005 0.000 1.097 763 V CB 0.083 31.912 31.823 0.010 0.000 0.762 763 V HN 0.734 nan 8.190 nan 0.000 0.470 764 I N -1.099 119.469 120.570 -0.002 0.000 2.614 764 I HA -0.118 4.068 4.170 0.027 0.000 0.258 764 I C 2.446 178.557 176.117 -0.010 0.000 1.189 764 I CA 2.335 63.631 61.300 -0.008 0.000 1.462 764 I CB -0.820 37.172 38.000 -0.013 0.000 1.092 764 I HN 0.357 nan 8.210 nan 0.000 0.442 765 S N -0.815 114.881 115.700 -0.007 0.000 2.404 765 S HA -0.025 4.461 4.470 0.027 0.000 0.223 765 S C 2.551 177.147 174.600 -0.007 0.000 1.040 765 S CA 1.757 59.953 58.200 -0.008 0.000 0.957 765 S CB -0.172 63.024 63.200 -0.006 0.000 0.826 765 S HN 0.913 nan 8.310 nan 0.000 0.491 766 Q N 0.814 120.611 119.800 -0.005 0.000 2.170 766 Q HA 0.080 4.437 4.340 0.027 0.000 0.203 766 Q C 2.396 178.392 176.000 -0.007 0.000 0.976 766 Q CA 1.823 57.623 55.803 -0.005 0.000 0.858 766 Q CB -1.913 26.823 28.738 -0.002 0.000 0.907 766 Q HN 0.717 nan 8.270 nan 0.000 0.433 767 L N 0.359 121.579 121.223 -0.006 0.000 1.973 767 L HA 0.121 4.477 4.340 0.027 0.000 0.208 767 L C 2.994 179.855 176.870 -0.015 0.000 1.073 767 L CA 3.380 58.215 54.840 -0.007 0.000 0.746 767 L CB -2.078 39.981 42.059 -0.001 0.000 0.891 767 L HN 0.733 nan 8.230 nan 0.000 0.433 768 K N -0.266 120.125 120.400 -0.016 0.000 2.211 768 K HA -0.072 4.264 4.320 0.027 0.000 0.204 768 K C 2.290 178.879 176.600 -0.018 0.000 1.047 768 K CA 2.682 58.957 56.287 -0.020 0.000 0.935 768 K CB -1.602 30.886 32.500 -0.020 0.000 0.728 768 K HN 1.119 nan 8.250 nan 0.000 0.452 769 Q N -0.217 119.574 119.800 -0.014 0.000 2.137 769 Q HA 0.055 4.411 4.340 0.027 0.000 0.198 769 Q C 2.586 178.578 176.000 -0.013 0.000 0.960 769 Q CA 2.245 58.041 55.803 -0.012 0.000 0.847 769 Q CB -1.018 27.714 28.738 -0.009 0.000 0.915 769 Q HN 0.832 nan 8.270 nan 0.000 0.448 770 K N 0.694 121.084 120.400 -0.016 0.000 2.103 770 K HA 0.211 4.547 4.320 0.027 0.000 0.204 770 K C 2.261 178.847 176.600 -0.023 0.000 1.052 770 K CA 1.202 57.477 56.287 -0.018 0.000 0.945 770 K CB -0.706 31.782 32.500 -0.020 0.000 0.722 770 K HN 0.562 nan 8.250 nan 0.000 0.443 771 L N 0.657 121.864 121.223 -0.028 0.000 2.056 771 L HA -0.112 4.244 4.340 0.027 0.000 0.207 771 L C 3.343 180.198 176.870 -0.025 0.000 1.078 771 L CA 1.746 56.566 54.840 -0.035 0.000 0.749 771 L CB -0.756 41.274 42.059 -0.048 0.000 0.901 771 L HN 0.621 nan 8.230 nan 0.000 0.433 772 E N 0.771 120.958 120.200 -0.020 0.000 2.077 772 E HA -0.266 4.100 4.350 0.027 0.000 0.193 772 E C 1.999 178.595 176.600 -0.007 0.000 0.989 772 E CA 1.775 58.168 56.400 -0.013 0.000 0.800 772 E CB -1.686 28.008 29.700 -0.011 0.000 0.746 772 E HN 0.699 nan 8.360 nan 0.000 0.452 773 N N 0.086 118.781 118.700 -0.008 0.000 2.106 773 N HA 0.121 4.877 4.740 0.027 0.000 0.188 773 N C 2.525 178.034 175.510 -0.003 0.000 1.029 773 N CA 3.029 56.077 53.050 -0.005 0.000 0.848 773 N CB -1.157 37.326 38.487 -0.007 0.000 1.007 773 N HN 1.015 nan 8.380 nan 0.000 0.423 774 L N 0.139 121.358 121.223 -0.008 0.000 2.093 774 L HA -0.006 4.350 4.340 0.027 0.000 0.208 774 L C 2.587 179.461 176.870 0.007 0.000 1.085 774 L CA 2.830 57.667 54.840 -0.005 0.000 0.755 774 L CB -1.821 40.227 42.059 -0.017 0.000 0.904 774 L HN 0.780 nan 8.230 nan 0.000 0.435 775 Q N 0.289 120.094 119.800 0.008 0.000 2.016 775 Q HA -0.171 4.185 4.340 0.027 0.000 0.200 775 Q C 2.336 178.351 176.000 0.025 0.000 0.978 775 Q CA 2.816 58.633 55.803 0.023 0.000 0.833 775 Q CB -0.626 28.121 28.738 0.015 0.000 0.895 775 Q HN 0.729 nan 8.270 nan 0.000 0.427 776 N N -0.234 118.476 118.700 0.016 0.000 2.192 776 N HA -0.213 4.543 4.740 0.027 0.000 0.188 776 N C 1.759 177.281 175.510 0.019 0.000 1.013 776 N CA 2.316 55.376 53.050 0.016 0.000 0.863 776 N CB -0.569 37.924 38.487 0.010 0.000 0.990 776 N HN 0.657 nan 8.380 nan 0.000 0.430 777 S N -4.007 111.704 115.700 0.018 0.000 3.313 777 S HA 0.285 4.771 4.470 0.027 0.000 0.247 777 S C 2.326 176.939 174.600 0.021 0.000 1.058 777 S CA 1.133 59.343 58.200 0.018 0.000 0.794 777 S CB -0.497 62.711 63.200 0.012 0.000 0.842 777 S HN 0.771 nan 8.310 nan 0.000 0.526 778 Q N 1.762 121.572 119.800 0.018 0.000 2.036 778 Q HA 0.588 4.944 4.340 0.027 0.000 0.195 778 Q C 1.565 177.579 176.000 0.024 0.000 0.971 778 Q CA 1.138 56.951 55.803 0.016 0.000 0.826 778 Q CB -1.870 26.871 28.738 0.005 0.000 0.896 778 Q HN 1.439 nan 8.270 nan 0.000 0.449 779 L N 2.506 123.746 121.223 0.028 0.000 2.628 779 L HA 0.447 4.803 4.340 0.027 0.000 0.274 779 L C -1.702 175.211 176.870 0.073 0.000 1.209 779 L CA -1.104 53.763 54.840 0.045 0.000 0.930 779 L CB -1.041 41.061 42.059 0.072 0.000 1.183 779 L HN 0.385 nan 8.230 nan 0.000 0.492 780 P HA 0.387 nan 4.420 nan 0.000 0.267 780 P C 1.310 178.691 177.300 0.135 0.000 1.200 780 P CA 0.655 63.811 63.100 0.093 0.000 0.772 780 P CB 0.483 32.231 31.700 0.082 0.000 0.855 781 E N 1.195 121.461 120.200 0.111 0.000 2.065 781 E HA -0.166 4.200 4.350 0.027 0.000 0.201 781 E C 0.970 177.648 176.600 0.130 0.000 1.016 781 E CA 2.064 58.528 56.400 0.107 0.000 0.818 781 E CB -0.769 28.978 29.700 0.077 0.000 0.749 781 E HN 0.680 nan 8.360 nan 0.000 0.453 782 S N -1.605 114.169 115.700 0.123 0.000 2.588 782 S HA 0.747 5.233 4.470 0.027 0.000 0.275 782 S C -0.549 174.144 174.600 0.155 0.000 1.130 782 S CA -0.373 57.880 58.200 0.088 0.000 0.855 782 S CB 1.732 64.925 63.200 -0.011 0.000 1.116 782 S HN 1.213 nan 8.310 nan 0.000 0.472 783 F N -1.398 118.501 119.950 -0.084 0.000 2.693 783 F HA 0.722 5.265 4.527 0.027 0.000 0.309 783 F C -0.919 174.790 175.800 -0.151 0.000 1.129 783 F CA -1.283 56.649 58.000 -0.114 0.000 0.948 783 F CB 1.108 40.050 39.000 -0.096 0.000 1.315 783 F HN 0.668 nan 8.300 nan 0.000 0.447 784 R N 1.328 121.783 120.500 -0.075 0.000 2.410 784 R HA 0.594 4.950 4.340 0.027 0.000 0.288 784 R C -1.105 175.086 176.300 -0.181 0.000 1.051 784 R CA -1.115 54.849 56.100 -0.226 0.000 1.021 784 R CB 1.912 32.107 30.300 -0.175 0.000 1.032 784 R HN 0.595 nan 8.270 nan 0.000 0.481 785 V N 5.771 125.449 119.914 -0.394 0.000 2.421 785 V HA 0.023 4.159 4.120 0.027 0.000 0.271 785 V C -1.475 174.349 176.094 -0.451 0.000 1.031 785 V CA -1.002 61.014 62.300 -0.473 0.000 1.032 785 V CB 1.018 32.434 31.823 -0.678 0.000 1.009 785 V HN 0.655 nan 8.190 nan 0.000 0.477 786 P HA -0.159 nan 4.420 nan 0.000 0.217 786 P C 0.987 178.127 177.300 -0.266 0.000 1.148 786 P CA 1.464 64.333 63.100 -0.384 0.000 0.828 786 P CB -0.012 31.125 31.700 -0.940 0.000 0.783 787 Y N -2.600 117.634 120.300 -0.111 0.000 2.461 787 Y HA 0.471 5.037 4.550 0.027 0.000 0.277 787 Y C -0.046 175.939 175.900 0.141 0.000 1.182 787 Y CA -0.649 57.499 58.100 0.079 0.000 1.276 787 Y CB -0.485 38.015 38.460 0.067 0.000 1.087 787 Y HN -0.193 nan 8.280 nan 0.000 0.519 788 D N 0.905 121.190 120.400 -0.191 0.000 3.250 788 D HA 0.165 4.821 4.640 0.027 0.000 0.252 788 D C -2.329 173.805 176.300 -0.278 0.000 1.342 788 D CA -1.753 52.192 54.000 -0.092 0.000 0.807 788 D CB 0.898 41.669 40.800 -0.048 0.000 1.449 788 D HN -0.041 nan 8.370 nan 0.000 0.610 789 P HA -0.046 nan 4.420 nan 0.000 0.219 789 P C 1.512 178.569 177.300 -0.405 0.000 1.146 789 P CA 0.858 63.564 63.100 -0.656 0.000 0.808 789 P CB 0.232 31.223 31.700 -1.182 0.000 0.779 790 G N -0.304 108.344 108.800 -0.253 0.000 2.471 790 G HA2 -0.107 3.869 3.960 0.027 0.000 0.219 790 G HA3 -0.107 3.869 3.960 0.027 0.000 0.219 790 G C 0.542 175.314 174.900 -0.213 0.000 1.125 790 G CA 0.083 45.075 45.100 -0.180 0.000 0.775 790 G HN 0.249 nan 8.290 nan 0.000 0.548 791 L N 1.037 122.125 121.223 -0.225 0.000 2.276 791 L HA 0.465 4.821 4.340 0.027 0.000 0.286 791 L C -0.453 176.239 176.870 -0.298 0.000 1.061 791 L CA -0.789 53.915 54.840 -0.226 0.000 0.807 791 L CB 1.290 43.241 42.059 -0.180 0.000 1.177 791 L HN -0.230 nan 8.230 nan 0.000 0.429 792 K N 4.477 124.711 120.400 -0.278 0.000 2.234 792 K HA 0.618 4.954 4.320 0.027 0.000 0.277 792 K C -0.763 175.601 176.600 -0.394 0.000 1.038 792 K CA -0.342 55.740 56.287 -0.341 0.000 0.888 792 K CB 1.590 33.947 32.500 -0.237 0.000 1.091 792 K HN 0.707 nan 8.250 nan 0.000 0.467 793 A N 2.727 125.126 122.820 -0.701 0.000 2.292 793 A HA 0.676 5.012 4.320 0.027 0.000 0.319 793 A C 0.582 177.879 177.584 -0.479 0.000 1.206 793 A CA -0.209 51.426 52.037 -0.670 0.000 0.835 793 A CB 1.088 19.418 19.000 -1.115 0.000 1.164 793 A HN 0.757 nan 8.150 nan 0.000 0.505 794 G N 0.650 109.410 108.800 -0.067 0.000 3.441 794 G HA2 0.567 4.543 3.960 0.027 0.000 0.195 794 G HA3 0.567 4.543 3.960 0.027 0.000 0.195 794 G C 0.637 175.717 174.900 0.301 0.000 1.633 794 G CA 0.226 45.381 45.100 0.092 0.000 0.895 794 G HN 1.361 nan 8.290 nan 0.000 0.654 795 A N -0.844 122.103 122.820 0.212 0.000 2.386 795 A HA 0.565 4.901 4.320 0.027 0.000 0.246 795 A C 0.036 177.724 177.584 0.173 0.000 1.089 795 A CA -0.158 51.993 52.037 0.191 0.000 0.790 795 A CB -0.006 19.054 19.000 0.101 0.000 1.042 795 A HN 0.444 nan 8.150 nan 0.000 0.497 796 L N 0.390 121.634 121.223 0.035 0.000 2.375 796 L HA 0.462 4.818 4.340 0.027 0.000 0.271 796 L C 0.770 177.575 176.870 -0.107 0.000 1.107 796 L CA -0.296 54.428 54.840 -0.194 0.000 0.806 796 L CB 1.446 43.358 42.059 -0.246 0.000 1.146 796 L HN 0.756 nan 8.230 nan 0.000 0.447 797 A N 3.958 126.698 122.820 -0.134 0.000 3.000 797 A HA 0.283 4.619 4.320 0.027 0.000 0.315 797 A C 1.189 178.731 177.584 -0.070 0.000 1.434 797 A CA -0.513 51.488 52.037 -0.059 0.000 1.108 797 A CB -0.296 18.694 19.000 -0.016 0.000 1.171 797 A HN 0.658 nan 8.150 nan 0.000 0.524 798 I N 0.939 121.469 120.570 -0.066 0.000 2.236 798 I HA -0.283 3.903 4.170 0.027 0.000 0.249 798 I C 1.984 178.073 176.117 -0.047 0.000 1.102 798 I CA 1.782 63.047 61.300 -0.059 0.000 1.365 798 I CB -1.456 36.518 38.000 -0.043 0.000 1.051 798 I HN 0.628 nan 8.210 nan 0.000 0.420 799 E N 1.420 121.598 120.200 -0.038 0.000 2.153 799 E HA -0.185 4.181 4.350 0.027 0.000 0.194 799 E C 2.023 178.591 176.600 -0.052 0.000 0.988 799 E CA 1.076 57.453 56.400 -0.038 0.000 0.811 799 E CB -0.373 29.311 29.700 -0.027 0.000 0.746 799 E HN 0.495 nan 8.360 nan 0.000 0.466 800 K N -0.151 120.220 120.400 -0.048 0.000 2.314 800 K HA 0.133 4.469 4.320 0.027 0.000 0.198 800 K C 0.028 176.571 176.600 -0.095 0.000 1.045 800 K CA 0.164 56.413 56.287 -0.065 0.000 0.988 800 K CB 0.172 32.668 32.500 -0.006 0.000 0.783 800 K HN 0.084 nan 8.250 nan 0.000 0.484 801 C N 3.549 122.820 119.300 -0.049 0.000 2.651 801 C HA 0.110 4.586 4.460 0.027 0.000 0.410 801 C C 0.633 175.598 174.990 -0.042 0.000 1.372 801 C CA -0.599 58.413 59.018 -0.010 0.000 1.707 801 C CB -1.156 26.575 27.740 -0.015 0.000 2.501 801 C HN 0.443 nan 8.230 nan 0.000 0.598 802 K N 1.872 122.252 120.400 -0.034 0.000 2.208 802 K HA 0.875 5.211 4.320 0.027 0.000 0.241 802 K C -1.697 174.945 176.600 0.070 0.000 1.087 802 K CA -0.738 55.524 56.287 -0.042 0.000 0.883 802 K CB 1.179 33.573 32.500 -0.176 0.000 1.360 802 K HN 0.217 nan 8.250 nan 0.000 0.496 803 V N 1.979 121.929 119.914 0.060 0.000 2.419 803 V HA 0.254 4.390 4.120 0.027 0.000 0.287 803 V C -0.430 175.727 176.094 0.106 0.000 1.017 803 V CA -0.725 61.637 62.300 0.103 0.000 0.844 803 V CB 1.248 33.113 31.823 0.070 0.000 1.011 803 V HN 0.720 nan 8.190 nan 0.000 0.429 804 M N 3.595 123.295 119.600 0.167 0.000 2.245 804 M HA 0.230 4.726 4.480 0.027 0.000 0.335 804 M C 0.692 177.051 176.300 0.098 0.000 1.155 804 M CA 0.585 55.980 55.300 0.158 0.000 1.055 804 M CB 0.460 33.183 32.600 0.205 0.000 1.670 804 M HN 0.717 nan 8.290 nan 0.000 0.447 805 A N 3.465 126.329 122.820 0.074 0.000 2.302 805 A HA 0.631 4.967 4.320 0.027 0.000 0.295 805 A C -0.232 177.379 177.584 0.045 0.000 1.235 805 A CA -0.234 51.834 52.037 0.050 0.000 0.876 805 A CB 0.051 19.072 19.000 0.035 0.000 1.133 805 A HN 0.863 nan 8.150 nan 0.000 0.533 806 S N 0.709 116.433 115.700 0.040 0.000 2.645 806 S HA 0.618 5.104 4.470 0.027 0.000 0.268 806 S C 0.833 175.449 174.600 0.027 0.000 1.110 806 S CA -0.109 58.107 58.200 0.028 0.000 0.823 806 S CB 0.781 63.998 63.200 0.030 0.000 1.091 806 S HN 1.437 nan 8.310 nan 0.000 0.466 807 K N 0.226 120.635 120.400 0.016 0.000 2.030 807 K HA 0.110 4.446 4.320 0.027 0.000 0.222 807 K C 1.201 177.821 176.600 0.034 0.000 1.056 807 K CA 2.618 58.916 56.287 0.018 0.000 0.957 807 K CB -2.067 30.438 32.500 0.009 0.000 0.727 807 K HN 1.539 nan 8.250 nan 0.000 0.452 808 K N 0.490 120.913 120.400 0.038 0.000 2.090 808 K HA 0.573 4.909 4.320 0.027 0.000 0.250 808 K C 0.024 176.670 176.600 0.076 0.000 1.004 808 K CA -0.066 56.259 56.287 0.062 0.000 0.919 808 K CB 0.718 33.251 32.500 0.056 0.000 1.045 808 K HN 0.304 nan 8.250 nan 0.000 0.471 809 K N 2.257 122.717 120.400 0.100 0.000 2.459 809 K HA 0.316 4.652 4.320 0.027 0.000 0.218 809 K C -2.662 174.015 176.600 0.128 0.000 1.067 809 K CA -2.285 54.062 56.287 0.101 0.000 1.045 809 K CB 0.635 33.187 32.500 0.088 0.000 1.623 809 K HN 0.465 nan 8.250 nan 0.000 0.509 810 P HA 0.122 nan 4.420 nan 0.000 0.275 810 P C -0.565 176.852 177.300 0.195 0.000 1.228 810 P CA -0.339 62.859 63.100 0.164 0.000 0.786 810 P CB 0.726 32.503 31.700 0.129 0.000 0.927 811 L N 2.684 124.049 121.223 0.236 0.000 2.319 811 L HA 0.263 4.619 4.340 0.027 0.000 0.280 811 L C 0.164 177.226 176.870 0.321 0.000 1.099 811 L CA -0.345 54.645 54.840 0.250 0.000 0.828 811 L CB 0.431 42.622 42.059 0.220 0.000 1.150 811 L HN 0.446 nan 8.230 nan 0.000 0.442 812 W N 6.366 127.734 121.300 0.114 0.000 2.317 812 W HA 0.410 5.087 4.660 0.027 0.000 0.327 812 W C -1.490 175.092 176.519 0.105 0.000 1.036 812 W CA -0.841 56.573 57.345 0.116 0.000 1.419 812 W CB 0.713 30.221 29.460 0.081 0.000 1.253 812 W HN 0.244 nan 8.180 nan 0.000 0.392 813 L N 3.774 125.291 121.223 0.489 0.000 2.376 813 L HA 0.750 5.106 4.340 0.027 0.000 0.267 813 L C 0.427 177.532 176.870 0.392 0.000 1.035 813 L CA -0.276 54.771 54.840 0.344 0.000 0.800 813 L CB 0.990 43.233 42.059 0.307 0.000 1.290 813 L HN 0.443 nan 8.230 nan 0.000 0.462 814 E N 0.649 120.927 120.200 0.130 0.000 2.367 814 E HA 0.535 4.901 4.350 0.027 0.000 0.292 814 E C -1.733 174.868 176.600 0.001 0.000 0.900 814 E CA -0.503 56.017 56.400 0.201 0.000 0.807 814 E CB 0.459 30.292 29.700 0.220 0.000 1.337 814 E HN 0.271 nan 8.360 nan 0.000 0.394 815 F N 0.833 120.878 119.950 0.157 0.000 2.470 815 F HA 0.746 5.290 4.527 0.027 0.000 0.329 815 F C 1.122 176.964 175.800 0.071 0.000 1.072 815 F CA -0.594 57.478 58.000 0.119 0.000 0.989 815 F CB 2.020 41.095 39.000 0.125 0.000 1.193 815 F HN 0.598 nan 8.300 nan 0.000 0.481 816 K N 0.528 121.059 120.400 0.219 0.000 2.218 816 K HA 0.430 4.766 4.320 0.027 0.000 0.276 816 K C -0.238 176.419 176.600 0.095 0.000 1.022 816 K CA -0.627 55.736 56.287 0.127 0.000 0.946 816 K CB 0.498 33.050 32.500 0.086 0.000 1.000 816 K HN 0.978 nan 8.250 nan 0.000 0.468 817 C N 2.165 121.492 119.300 0.045 0.000 2.642 817 C HA 0.497 4.973 4.460 0.027 0.000 0.420 817 C C 1.678 176.654 174.990 -0.023 0.000 1.349 817 C CA 0.334 59.343 59.018 -0.014 0.000 1.821 817 C CB -0.764 26.962 27.740 -0.022 0.000 2.637 817 C HN 0.922 nan 8.230 nan 0.000 0.605 818 A N 3.452 126.234 122.820 -0.063 0.000 2.278 818 A HA 0.182 4.518 4.320 0.027 0.000 0.212 818 A C 0.548 178.101 177.584 -0.051 0.000 1.213 818 A CA 0.380 52.389 52.037 -0.047 0.000 0.840 818 A CB -0.281 18.680 19.000 -0.066 0.000 0.866 818 A HN 0.911 nan 8.150 nan 0.000 0.489 819 D N -0.151 120.212 120.400 -0.062 0.000 2.392 819 D HA 0.364 5.020 4.640 0.027 0.000 0.228 819 D C -1.977 174.294 176.300 -0.048 0.000 1.074 819 D CA -1.923 52.038 54.000 -0.065 0.000 0.838 819 D CB 1.685 42.427 40.800 -0.098 0.000 1.067 819 D HN -0.057 nan 8.370 nan 0.000 0.511 820 P HA -0.086 nan 4.420 nan 0.000 0.218 820 P C 1.073 178.356 177.300 -0.030 0.000 1.148 820 P CA 1.156 64.243 63.100 -0.021 0.000 0.822 820 P CB 0.109 31.803 31.700 -0.010 0.000 0.784 821 T N -3.576 110.948 114.554 -0.049 0.000 3.252 821 T HA 0.346 4.712 4.350 0.027 0.000 0.250 821 T C 0.785 175.425 174.700 -0.100 0.000 1.123 821 T CA -0.310 61.748 62.100 -0.070 0.000 1.006 821 T CB -0.945 67.872 68.868 -0.085 0.000 0.992 821 T HN 0.044 nan 8.240 nan 0.000 0.547 822 A N 0.859 123.633 122.820 -0.076 0.000 2.515 822 A HA 0.577 4.914 4.320 0.027 0.000 0.263 822 A C 1.120 178.660 177.584 -0.074 0.000 1.096 822 A CA 0.035 52.028 52.037 -0.072 0.000 0.769 822 A CB -0.625 18.348 19.000 -0.044 0.000 1.040 822 A HN 1.280 nan 8.150 nan 0.000 0.505 823 L N 2.661 123.821 121.223 -0.104 0.000 2.803 823 L HA 0.563 4.919 4.340 0.027 0.000 0.241 823 L C 0.656 177.476 176.870 -0.082 0.000 1.404 823 L CA 0.968 55.724 54.840 -0.141 0.000 1.211 823 L CB -2.042 39.846 42.059 -0.284 0.000 1.585 823 L HN 1.337 nan 8.230 nan 0.000 0.430 824 S N -0.566 115.111 115.700 -0.038 0.000 2.707 824 S HA 0.367 4.853 4.470 0.027 0.000 0.270 824 S C -0.638 173.967 174.600 0.008 0.000 1.031 824 S CA 0.144 58.341 58.200 -0.005 0.000 0.866 824 S CB 0.886 64.096 63.200 0.017 0.000 1.114 824 S HN 0.584 nan 8.310 nan 0.000 0.465 825 N N 1.329 120.043 118.700 0.023 0.000 2.466 825 N HA 0.254 5.010 4.740 0.027 0.000 0.272 825 N C -1.006 174.532 175.510 0.046 0.000 1.455 825 N CA -0.143 52.925 53.050 0.030 0.000 0.875 825 N CB 0.646 39.148 38.487 0.025 0.000 1.372 825 N HN 0.550 nan 8.380 nan 0.000 0.492 826 E N 0.645 120.879 120.200 0.058 0.000 2.349 826 E HA 0.188 4.554 4.350 0.027 0.000 0.265 826 E C 0.068 176.723 176.600 0.091 0.000 1.064 826 E CA -0.047 56.400 56.400 0.079 0.000 0.886 826 E CB 1.180 30.933 29.700 0.090 0.000 1.036 826 E HN 0.322 nan 8.360 nan 0.000 0.413 827 T N -0.184 114.439 114.554 0.114 0.000 2.849 827 T HA 0.466 4.832 4.350 0.027 0.000 0.284 827 T C 0.575 175.377 174.700 0.171 0.000 1.004 827 T CA -0.677 61.507 62.100 0.140 0.000 1.021 827 T CB 0.505 69.465 68.868 0.152 0.000 1.013 827 T HN 0.224 nan 8.240 nan 0.000 0.527 828 I N 1.539 122.233 120.570 0.206 0.000 2.325 828 I HA 0.463 4.649 4.170 0.027 0.000 0.291 828 I C 0.986 177.293 176.117 0.317 0.000 1.019 828 I CA -0.074 61.359 61.300 0.222 0.000 1.302 828 I CB 0.914 39.006 38.000 0.154 0.000 1.401 828 I HN 0.923 nan 8.210 nan 0.000 0.485 829 G N 7.544 116.502 108.800 0.264 0.000 2.329 829 G HA2 0.681 4.657 3.960 0.027 0.000 0.309 829 G HA3 0.681 4.657 3.960 0.027 0.000 0.309 829 G C -0.480 174.533 174.900 0.188 0.000 1.110 829 G CA -0.311 44.932 45.100 0.239 0.000 0.923 829 G HN 0.495 nan 8.290 nan 0.000 0.430 830 I N 2.891 123.627 120.570 0.276 0.000 2.436 830 I HA 0.349 4.535 4.170 0.027 0.000 0.289 830 I C -0.216 176.015 176.117 0.191 0.000 1.010 830 I CA -0.746 60.725 61.300 0.284 0.000 1.098 830 I CB 2.280 40.562 38.000 0.470 0.000 1.266 830 I HN 0.225 nan 8.210 nan 0.000 0.434 831 I N 5.396 125.992 120.570 0.043 0.000 2.396 831 I HA 0.259 4.445 4.170 0.027 0.000 0.292 831 I C -0.867 175.332 176.117 0.135 0.000 0.999 831 I CA -0.265 61.060 61.300 0.042 0.000 1.310 831 I CB 1.145 39.082 38.000 -0.104 0.000 1.404 831 I HN 0.417 nan 8.210 nan 0.000 0.496 832 F N 6.652 126.659 119.950 0.095 0.000 2.366 832 F HA 0.382 4.926 4.527 0.027 0.000 0.366 832 F C 0.117 175.979 175.800 0.104 0.000 1.096 832 F CA -0.509 57.555 58.000 0.107 0.000 1.060 832 F CB 0.856 39.931 39.000 0.126 0.000 1.282 832 F HN 0.321 nan 8.300 nan 0.000 0.450 833 K N 3.424 123.898 120.400 0.124 0.000 2.156 833 K HA 0.430 4.766 4.320 0.027 0.000 0.254 833 K C -1.524 175.188 176.600 0.187 0.000 0.950 833 K CA -0.709 55.663 56.287 0.141 0.000 0.849 833 K CB 1.397 33.932 32.500 0.058 0.000 1.100 833 K HN 0.751 nan 8.250 nan 0.000 0.434 834 H N 0.095 119.224 119.070 0.098 0.000 2.865 834 H HA 0.458 5.030 4.556 0.027 0.000 0.372 834 H C 0.267 175.634 175.328 0.064 0.000 1.173 834 H CA 0.612 56.712 56.048 0.086 0.000 1.147 834 H CB 2.144 31.969 29.762 0.105 0.000 1.805 834 H HN 0.712 nan 8.280 nan 0.000 0.553 835 G N 1.064 109.283 108.800 -0.969 0.000 2.179 835 G HA2 -0.014 3.962 3.960 0.027 0.000 0.220 835 G HA3 -0.014 3.962 3.960 0.027 0.000 0.220 835 G C -0.226 174.524 174.900 -0.250 0.000 0.990 835 G CA 0.351 45.106 45.100 -0.574 0.000 0.646 835 G HN 1.081 nan 8.290 nan 0.000 0.517 836 D N -0.240 120.045 120.400 -0.191 0.000 2.934 836 D HA 0.565 5.222 4.640 0.027 0.000 0.230 836 D C -0.932 175.333 176.300 -0.059 0.000 1.204 836 D CA -0.025 53.925 54.000 -0.084 0.000 0.873 836 D CB 1.371 42.148 40.800 -0.037 0.000 1.645 836 D HN 0.171 nan 8.370 nan 0.000 0.502 837 D N 1.181 121.560 120.400 -0.034 0.000 2.374 837 D HA 0.200 4.856 4.640 0.027 0.000 0.240 837 D C 1.154 177.450 176.300 -0.007 0.000 1.229 837 D CA -0.189 53.799 54.000 -0.020 0.000 0.895 837 D CB 0.756 41.544 40.800 -0.020 0.000 1.046 837 D HN 0.407 nan 8.370 nan 0.000 0.498 838 L N 3.294 124.516 121.223 -0.002 0.000 2.551 838 L HA 0.020 4.376 4.340 0.027 0.000 0.228 838 L C 2.313 179.184 176.870 0.001 0.000 1.153 838 L CA 0.246 55.093 54.840 0.012 0.000 0.851 838 L CB -0.090 41.974 42.059 0.008 0.000 0.959 838 L HN 0.372 nan 8.230 nan 0.000 0.451 839 R N -0.002 120.485 120.500 -0.022 0.000 2.091 839 R HA -0.213 4.143 4.340 0.027 0.000 0.238 839 R C 2.228 178.484 176.300 -0.073 0.000 1.136 839 R CA 1.586 57.652 56.100 -0.056 0.000 0.959 839 R CB -0.284 29.971 30.300 -0.076 0.000 0.856 839 R HN 0.490 nan 8.270 nan 0.000 0.437 840 Q N 0.238 120.006 119.800 -0.053 0.000 2.135 840 Q HA -0.174 4.182 4.340 0.027 0.000 0.204 840 Q C 1.566 177.536 176.000 -0.049 0.000 0.981 840 Q CA 1.423 57.189 55.803 -0.062 0.000 0.856 840 Q CB -0.016 28.702 28.738 -0.034 0.000 0.902 840 Q HN 0.361 nan 8.270 nan 0.000 0.425 841 D N 0.277 120.691 120.400 0.024 0.000 2.144 841 D HA -0.124 4.532 4.640 0.027 0.000 0.200 841 D C 1.909 178.180 176.300 -0.049 0.000 0.978 841 D CA 1.053 55.105 54.000 0.087 0.000 0.833 841 D CB -0.099 40.821 40.800 0.200 0.000 0.961 841 D HN 0.301 nan 8.370 nan 0.000 0.470 842 M N 0.299 119.861 119.600 -0.064 0.000 2.065 842 M HA -0.171 4.326 4.480 0.027 0.000 0.259 842 M C 2.465 178.653 176.300 -0.187 0.000 1.069 842 M CA 1.266 56.501 55.300 -0.110 0.000 1.110 842 M CB -0.441 32.096 32.600 -0.104 0.000 1.328 842 M HN 0.007 nan 8.290 nan 0.000 0.405 843 L N -0.112 120.992 121.223 -0.198 0.000 2.042 843 L HA -0.256 4.100 4.340 0.027 0.000 0.210 843 L C 2.457 179.184 176.870 -0.239 0.000 1.076 843 L CA 0.899 55.608 54.840 -0.219 0.000 0.749 843 L CB -0.609 41.331 42.059 -0.199 0.000 0.893 843 L HN 0.321 nan 8.230 nan 0.000 0.432 844 I N -0.280 120.115 120.570 -0.291 0.000 2.202 844 I HA -0.260 3.926 4.170 0.027 0.000 0.242 844 I C 2.506 178.365 176.117 -0.429 0.000 1.091 844 I CA 1.593 62.638 61.300 -0.426 0.000 1.368 844 I CB -0.957 36.595 38.000 -0.748 0.000 1.058 844 I HN 0.246 nan 8.210 nan 0.000 0.410 845 L N 0.033 121.023 121.223 -0.389 0.000 2.079 845 L HA -0.248 4.108 4.340 0.027 0.000 0.210 845 L C 2.593 179.334 176.870 -0.216 0.000 1.081 845 L CA 1.227 55.895 54.840 -0.286 0.000 0.752 845 L CB -0.531 41.373 42.059 -0.259 0.000 0.896 845 L HN 0.254 nan 8.230 nan 0.000 0.433 846 Q N 0.217 119.891 119.800 -0.210 0.000 2.187 846 Q HA -0.068 4.288 4.340 0.027 0.000 0.199 846 Q C 2.062 177.948 176.000 -0.190 0.000 0.957 846 Q CA 1.347 57.040 55.803 -0.184 0.000 0.857 846 Q CB -0.025 28.591 28.738 -0.203 0.000 0.929 846 Q HN 0.480 nan 8.270 nan 0.000 0.453 847 I N -0.235 120.215 120.570 -0.199 0.000 2.676 847 I HA -0.198 3.988 4.170 0.027 0.000 0.259 847 I C 1.422 177.405 176.117 -0.224 0.000 1.194 847 I CA 0.267 61.454 61.300 -0.188 0.000 1.473 847 I CB -0.122 37.787 38.000 -0.151 0.000 1.096 847 I HN 0.234 nan 8.210 nan 0.000 0.443 848 L N 0.815 121.905 121.223 -0.223 0.000 2.027 848 L HA -0.137 4.219 4.340 0.027 0.000 0.206 848 L C 2.628 179.370 176.870 -0.213 0.000 1.074 848 L CA 1.776 56.485 54.840 -0.219 0.000 0.745 848 L CB -0.685 41.273 42.059 -0.169 0.000 0.898 848 L HN 0.111 nan 8.230 nan 0.000 0.433 849 R N -0.814 119.588 120.500 -0.164 0.000 2.081 849 R HA -0.111 4.245 4.340 0.027 0.000 0.235 849 R C 2.273 178.453 176.300 -0.199 0.000 1.131 849 R CA 1.450 57.482 56.100 -0.114 0.000 0.960 849 R CB -0.496 29.785 30.300 -0.033 0.000 0.856 849 R HN 0.325 nan 8.270 nan 0.000 0.436 850 I N 0.695 121.106 120.570 -0.265 0.000 2.264 850 I HA -0.316 3.870 4.170 0.027 0.000 0.248 850 I C 2.476 178.334 176.117 -0.431 0.000 1.111 850 I CA 1.449 62.524 61.300 -0.375 0.000 1.382 850 I CB -0.165 37.638 38.000 -0.328 0.000 1.060 850 I HN 0.200 nan 8.210 nan 0.000 0.418 851 M N -0.176 119.137 119.600 -0.478 0.000 2.159 851 M HA -0.223 4.273 4.480 0.027 0.000 0.263 851 M C 2.181 177.969 176.300 -0.852 0.000 1.063 851 M CA 1.760 56.582 55.300 -0.796 0.000 1.110 851 M CB -0.319 31.738 32.600 -0.904 0.000 1.374 851 M HN 0.178 nan 8.290 nan 0.000 0.411 852 E N -0.071 119.879 120.200 -0.417 0.000 2.051 852 E HA -0.187 4.179 4.350 0.027 0.000 0.192 852 E C 2.074 178.611 176.600 -0.104 0.000 0.991 852 E CA 1.820 58.166 56.400 -0.091 0.000 0.799 852 E CB -0.088 29.605 29.700 -0.011 0.000 0.748 852 E HN 0.561 nan 8.360 nan 0.000 0.449 853 S N 1.030 116.588 115.700 -0.236 0.000 2.368 853 S HA -0.166 4.320 4.470 0.027 0.000 0.225 853 S C 2.103 176.560 174.600 -0.238 0.000 1.030 853 S CA 0.843 58.892 58.200 -0.252 0.000 0.999 853 S CB -0.617 62.288 63.200 -0.493 0.000 0.844 853 S HN 0.192 nan 8.310 nan 0.000 0.459 854 I N -0.137 120.202 120.570 -0.385 0.000 2.194 854 I HA -0.182 4.004 4.170 0.027 0.000 0.246 854 I C 2.443 178.417 176.117 -0.238 0.000 1.093 854 I CA 1.484 62.494 61.300 -0.484 0.000 1.355 854 I CB -0.460 37.102 38.000 -0.730 0.000 1.046 854 I HN 0.392 nan 8.210 nan 0.000 0.413 855 W N 1.101 122.293 121.300 -0.180 0.000 2.519 855 W HA -0.101 4.575 4.660 0.027 0.000 0.266 855 W C 2.486 178.973 176.519 -0.054 0.000 1.253 855 W CA 0.888 58.155 57.345 -0.129 0.000 1.274 855 W CB -0.709 28.648 29.460 -0.171 0.000 1.114 855 W HN 0.330 nan 8.180 nan 0.000 0.596 856 E N 0.330 120.629 120.200 0.166 0.000 2.107 856 E HA -0.170 4.196 4.350 0.027 0.000 0.191 856 E C 2.113 178.777 176.600 0.107 0.000 0.982 856 E CA 1.982 58.489 56.400 0.178 0.000 0.809 856 E CB -0.124 29.644 29.700 0.113 0.000 0.756 856 E HN 0.096 nan 8.360 nan 0.000 0.459 857 T N -1.449 113.134 114.554 0.049 0.000 3.025 857 T HA -0.109 4.258 4.350 0.027 0.000 0.270 857 T C 0.899 175.648 174.700 0.081 0.000 1.126 857 T CA 1.103 63.231 62.100 0.046 0.000 1.105 857 T CB -0.137 68.754 68.868 0.038 0.000 0.884 857 T HN 0.195 nan 8.240 nan 0.000 0.522 858 E N 1.290 121.560 120.200 0.116 0.000 2.869 858 E HA 0.268 4.634 4.350 0.027 0.000 0.207 858 E C 0.116 176.790 176.600 0.123 0.000 0.986 858 E CA 0.063 56.536 56.400 0.120 0.000 1.131 858 E CB 0.502 30.299 29.700 0.161 0.000 1.098 858 E HN 0.624 nan 8.360 nan 0.000 0.459 859 S N -0.193 115.599 115.700 0.154 0.000 3.614 859 S HA -0.241 4.245 4.470 0.027 0.000 0.360 859 S C 0.090 174.860 174.600 0.284 0.000 1.023 859 S CA 0.641 58.979 58.200 0.231 0.000 1.114 859 S CB -2.107 61.171 63.200 0.130 0.000 0.907 859 S HN 0.366 nan 8.310 nan 0.000 0.470 860 L N 0.711 122.048 121.223 0.190 0.000 2.362 860 L HA 0.752 5.108 4.340 0.027 0.000 0.271 860 L C -0.454 176.174 176.870 -0.403 0.000 1.002 860 L CA -0.651 54.094 54.840 -0.159 0.000 0.818 860 L CB 1.817 43.736 42.059 -0.234 0.000 1.298 860 L HN 0.259 nan 8.230 nan 0.000 0.420 861 D N 2.972 122.904 120.400 -0.780 0.000 2.473 861 D HA 0.311 4.967 4.640 0.027 0.000 0.253 861 D C -0.456 175.426 176.300 -0.697 0.000 1.233 861 D CA -0.313 53.216 54.000 -0.785 0.000 0.908 861 D CB 1.643 41.739 40.800 -1.173 0.000 1.170 861 D HN 0.213 nan 8.370 nan 0.000 0.558 862 L N 2.761 123.665 121.223 -0.531 0.000 2.741 862 L HA 0.228 4.584 4.340 0.027 0.000 0.237 862 L C 0.790 177.530 176.870 -0.217 0.000 1.178 862 L CA -0.099 54.426 54.840 -0.525 0.000 0.973 862 L CB -0.347 41.212 42.059 -0.832 0.000 1.255 862 L HN 0.623 nan 8.230 nan 0.000 0.498 863 C N -0.113 119.106 119.300 -0.134 0.000 4.165 863 C HA -0.223 4.253 4.460 0.027 0.000 0.299 863 C C 1.309 176.350 174.990 0.084 0.000 1.445 863 C CA -0.469 58.550 59.018 0.002 0.000 2.029 863 C CB -3.366 24.419 27.740 0.074 0.000 1.288 863 C HN 0.374 nan 8.230 nan 0.000 0.752 864 L N -0.538 120.702 121.223 0.027 0.000 2.479 864 L HA 0.305 4.661 4.340 0.027 0.000 0.270 864 L C 0.620 177.610 176.870 0.199 0.000 1.236 864 L CA 0.250 55.116 54.840 0.043 0.000 0.823 864 L CB 0.194 42.146 42.059 -0.179 0.000 1.098 864 L HN 0.386 nan 8.230 nan 0.000 0.500 865 L N 2.735 124.186 121.223 0.380 0.000 2.481 865 L HA 0.338 4.694 4.340 0.027 0.000 0.255 865 L C -2.302 174.714 176.870 0.243 0.000 1.192 865 L CA -1.388 53.571 54.840 0.197 0.000 0.924 865 L CB 1.411 43.437 42.059 -0.054 0.000 1.179 865 L HN 0.318 nan 8.230 nan 0.000 0.491 866 P HA 0.137 nan 4.420 nan 0.000 0.260 866 P C -0.943 176.333 177.300 -0.040 0.000 1.651 866 P CA -0.046 63.062 63.100 0.013 0.000 1.139 866 P CB -0.436 31.252 31.700 -0.021 0.000 1.756 867 Y N 0.357 120.685 120.300 0.047 0.000 2.426 867 Y HA 0.452 5.018 4.550 0.027 0.000 0.344 867 Y C 1.160 177.028 175.900 -0.054 0.000 1.256 867 Y CA -1.143 56.936 58.100 -0.034 0.000 1.451 867 Y CB -0.274 38.144 38.460 -0.070 0.000 1.342 867 Y HN 0.305 nan 8.280 nan 0.000 0.600 868 G N -0.012 108.763 108.800 -0.041 0.000 2.380 868 G HA2 0.311 4.288 3.960 0.027 0.000 0.242 868 G HA3 0.311 4.288 3.960 0.027 0.000 0.242 868 G C -1.214 173.526 174.900 -0.267 0.000 1.298 868 G CA -0.086 44.892 45.100 -0.204 0.000 0.878 868 G HN 1.113 nan 8.290 nan 0.000 0.542 869 C N 3.923 123.176 119.300 -0.079 0.000 2.924 869 C HA 0.592 5.068 4.460 0.027 0.000 0.400 869 C C -0.898 174.126 174.990 0.057 0.000 1.032 869 C CA -0.956 58.046 59.018 -0.027 0.000 1.236 869 C CB -0.567 27.169 27.740 -0.006 0.000 1.660 869 C HN 0.654 nan 8.230 nan 0.000 0.510 870 I N 4.769 125.362 120.570 0.038 0.000 2.534 870 I HA 0.299 4.485 4.170 0.027 0.000 0.288 870 I C 0.262 176.374 176.117 -0.009 0.000 1.077 870 I CA -0.096 61.234 61.300 0.051 0.000 1.051 870 I CB 2.156 40.144 38.000 -0.020 0.000 1.234 870 I HN 0.653 nan 8.210 nan 0.000 0.425 871 S N 3.012 118.740 115.700 0.048 0.000 2.488 871 S HA 0.150 4.636 4.470 0.027 0.000 0.278 871 S C 1.127 175.786 174.600 0.099 0.000 1.259 871 S CA -0.039 58.184 58.200 0.040 0.000 1.061 871 S CB 0.381 63.603 63.200 0.037 0.000 0.910 871 S HN 0.810 nan 8.310 nan 0.000 0.491 872 T N 2.295 116.901 114.554 0.086 0.000 3.038 872 T HA 0.427 4.793 4.350 0.027 0.000 0.244 872 T C 0.925 175.763 174.700 0.230 0.000 1.016 872 T CA 0.328 62.571 62.100 0.238 0.000 1.098 872 T CB 0.000 68.957 68.868 0.148 0.000 0.954 872 T HN 0.648 nan 8.240 nan 0.000 0.469 873 G N 1.587 110.475 108.800 0.146 0.000 3.166 873 G HA2 0.532 4.508 3.960 0.027 0.000 0.267 873 G HA3 0.532 4.508 3.960 0.027 0.000 0.267 873 G C -1.821 173.134 174.900 0.091 0.000 1.256 873 G CA -0.544 44.628 45.100 0.120 0.000 0.859 873 G HN 0.374 nan 8.290 nan 0.000 0.590 874 D N 0.241 120.697 120.400 0.093 0.000 2.277 874 D HA 0.256 4.912 4.640 0.027 0.000 0.249 874 D C 0.088 176.452 176.300 0.107 0.000 1.134 874 D CA -0.365 53.684 54.000 0.081 0.000 0.863 874 D CB 1.910 42.756 40.800 0.077 0.000 1.143 874 D HN 0.507 nan 8.370 nan 0.000 0.458 875 K N -0.052 120.383 120.400 0.059 0.000 3.610 875 K HA -0.201 4.135 4.320 0.027 0.000 0.283 875 K C 0.835 177.447 176.600 0.020 0.000 1.210 875 K CA 1.448 57.738 56.287 0.005 0.000 1.026 875 K CB -2.140 30.359 32.500 -0.000 0.000 1.295 875 K HN 0.816 nan 8.250 nan 0.000 0.468 876 I N -3.467 117.176 120.570 0.122 0.000 3.540 876 I HA 0.849 5.035 4.170 0.027 0.000 0.288 876 I C 0.520 176.656 176.117 0.032 0.000 1.169 876 I CA -0.092 61.292 61.300 0.139 0.000 1.038 876 I CB 2.311 40.463 38.000 0.254 0.000 1.338 876 I HN 0.082 nan 8.210 nan 0.000 0.507 877 G N 1.009 109.768 108.800 -0.068 0.000 2.356 877 G HA2 0.355 4.331 3.960 0.027 0.000 0.288 877 G HA3 0.355 4.331 3.960 0.027 0.000 0.288 877 G C -1.450 173.169 174.900 -0.469 0.000 1.302 877 G CA -0.387 44.587 45.100 -0.211 0.000 0.887 877 G HN 1.038 nan 8.290 nan 0.000 0.521 878 M N -0.847 118.511 119.600 -0.404 0.000 2.572 878 M HA 0.902 5.398 4.480 0.027 0.000 0.299 878 M C -1.626 174.582 176.300 -0.154 0.000 1.205 878 M CA -1.012 54.056 55.300 -0.388 0.000 0.876 878 M CB 2.392 34.735 32.600 -0.429 0.000 1.728 878 M HN 0.504 nan 8.290 nan 0.000 0.458 879 I N 1.036 121.529 120.570 -0.129 0.000 2.582 879 I HA 0.343 4.530 4.170 0.027 0.000 0.292 879 I C -0.325 175.623 176.117 -0.282 0.000 1.066 879 I CA -0.618 60.590 61.300 -0.153 0.000 1.053 879 I CB 2.321 40.291 38.000 -0.051 0.000 1.241 879 I HN 0.835 nan 8.210 nan 0.000 0.421 880 E N 5.846 125.716 120.200 -0.549 0.000 2.413 880 E HA 0.208 4.575 4.350 0.027 0.000 0.263 880 E C -0.960 175.499 176.600 -0.235 0.000 1.015 880 E CA -0.147 55.942 56.400 -0.519 0.000 0.916 880 E CB 0.872 30.231 29.700 -0.569 0.000 0.947 880 E HN 0.435 nan 8.360 nan 0.000 0.440 881 I N 4.886 125.368 120.570 -0.148 0.000 2.304 881 I HA 0.092 4.278 4.170 0.027 0.000 0.291 881 I C -0.416 175.658 176.117 -0.072 0.000 1.018 881 I CA -0.792 60.385 61.300 -0.206 0.000 1.260 881 I CB 1.485 39.297 38.000 -0.314 0.000 1.390 881 I HN 0.294 nan 8.210 nan 0.000 0.475 882 V N 7.747 127.621 119.914 -0.066 0.000 2.405 882 V HA 0.119 4.256 4.120 0.027 0.000 0.264 882 V C 0.640 176.791 176.094 0.095 0.000 1.048 882 V CA -0.786 61.517 62.300 0.006 0.000 0.966 882 V CB 0.278 32.066 31.823 -0.059 0.000 1.015 882 V HN 0.569 nan 8.190 nan 0.000 0.477 883 K N 3.132 123.601 120.400 0.116 0.000 2.440 883 K HA 0.006 4.342 4.320 0.027 0.000 0.270 883 K C 0.409 177.120 176.600 0.185 0.000 0.980 883 K CA 0.200 56.584 56.287 0.161 0.000 0.953 883 K CB 0.040 32.627 32.500 0.145 0.000 0.925 883 K HN 0.787 nan 8.250 nan 0.000 0.497 884 D N -1.046 119.480 120.400 0.211 0.000 2.697 884 D HA -0.204 4.452 4.640 0.027 0.000 0.235 884 D C -0.703 175.780 176.300 0.306 0.000 1.167 884 D CA 1.258 55.398 54.000 0.234 0.000 0.656 884 D CB -1.098 39.810 40.800 0.181 0.000 1.025 884 D HN 0.599 nan 8.370 nan 0.000 0.419 885 A N 0.072 123.081 122.820 0.315 0.000 2.393 885 A HA 0.800 5.136 4.320 0.027 0.000 0.306 885 A C 0.199 177.929 177.584 0.243 0.000 1.050 885 A CA -0.416 51.817 52.037 0.328 0.000 0.724 885 A CB 1.817 21.038 19.000 0.368 0.000 1.248 885 A HN 0.072 nan 8.150 nan 0.000 0.424 886 T N 0.049 114.678 114.554 0.125 0.000 2.906 886 T HA 0.615 4.982 4.350 0.027 0.000 0.295 886 T C 0.054 174.659 174.700 -0.158 0.000 1.061 886 T CA -0.585 61.507 62.100 -0.014 0.000 1.000 886 T CB 1.488 70.292 68.868 -0.106 0.000 1.103 886 T HN 0.530 nan 8.240 nan 0.000 0.486 887 T N 1.673 116.145 114.554 -0.137 0.000 2.918 887 T HA 0.175 4.541 4.350 0.027 0.000 0.302 887 T C 1.453 176.047 174.700 -0.177 0.000 1.045 887 T CA -0.337 61.660 62.100 -0.171 0.000 1.114 887 T CB 0.226 69.026 68.868 -0.112 0.000 0.965 887 T HN 0.446 nan 8.240 nan 0.000 0.540 888 I N 2.569 123.057 120.570 -0.136 0.000 2.454 888 I HA -0.097 4.089 4.170 0.027 0.000 0.254 888 I C 2.303 178.432 176.117 0.020 0.000 1.156 888 I CA 1.069 62.344 61.300 -0.042 0.000 1.433 888 I CB -0.748 37.309 38.000 0.096 0.000 1.082 888 I HN 0.805 nan 8.210 nan 0.000 0.432 889 A N 0.217 123.056 122.820 0.031 0.000 1.898 889 A HA -0.136 4.200 4.320 0.027 0.000 0.214 889 A C 2.561 180.178 177.584 0.056 0.000 1.183 889 A CA 1.864 53.966 52.037 0.109 0.000 0.622 889 A CB -0.890 18.188 19.000 0.131 0.000 0.824 889 A HN 0.327 nan 8.150 nan 0.000 0.444 890 K N 0.150 120.548 120.400 -0.003 0.000 2.280 890 K HA 0.067 4.403 4.320 0.027 0.000 0.202 890 K C 1.649 178.222 176.600 -0.045 0.000 1.047 890 K CA 1.589 57.868 56.287 -0.013 0.000 0.942 890 K CB -0.977 31.514 32.500 -0.016 0.000 0.739 890 K HN 0.626 nan 8.250 nan 0.000 0.457 891 I N 0.036 120.540 120.570 -0.109 0.000 2.480 891 I HA -0.197 3.989 4.170 0.027 0.000 0.251 891 I C 2.702 178.802 176.117 -0.028 0.000 1.124 891 I CA 0.734 61.940 61.300 -0.156 0.000 1.444 891 I CB 0.055 37.831 38.000 -0.374 0.000 1.098 891 I HN 0.402 nan 8.210 nan 0.000 0.428 892 Q N 0.752 120.565 119.800 0.021 0.000 2.013 892 Q HA -0.100 4.256 4.340 0.027 0.000 0.195 892 Q C 1.846 177.834 176.000 -0.020 0.000 0.974 892 Q CA 1.306 57.133 55.803 0.040 0.000 0.826 892 Q CB -0.462 28.370 28.738 0.156 0.000 0.895 892 Q HN 0.590 nan 8.270 nan 0.000 0.448 893 Q N 1.488 121.290 119.800 0.002 0.000 3.151 893 Q HA 0.206 4.563 4.340 0.027 0.000 0.277 893 Q C 0.207 176.201 176.000 -0.010 0.000 1.343 893 Q CA 0.266 56.055 55.803 -0.023 0.000 0.925 893 Q CB -0.642 28.128 28.738 0.053 0.000 1.771 893 Q HN 0.202 nan 8.270 nan 0.000 0.514 897 G N 3.025 111.758 108.800 -0.111 0.000 2.255 897 G HA2 0.716 4.692 3.960 0.027 0.000 0.267 897 G HA3 0.716 4.692 3.960 0.027 0.000 0.267 897 G C 0.013 174.828 174.900 -0.142 0.000 1.177 897 G CA 1.352 46.385 45.100 -0.112 0.000 1.027 897 G HN 2.298 nan 8.290 nan 0.000 0.437 898 N N 0.468 119.040 118.700 -0.213 0.000 3.277 898 N HA 0.712 5.468 4.740 0.027 0.000 0.278 898 N C -0.297 175.031 175.510 -0.304 0.000 1.544 898 N CA -0.514 52.400 53.050 -0.226 0.000 0.869 898 N CB 0.910 39.247 38.487 -0.250 0.000 1.584 898 N HN 0.416 nan 8.380 nan 0.000 0.564 899 T N 1.132 115.527 114.554 -0.265 0.000 2.723 899 T HA 0.589 4.955 4.350 0.027 0.000 0.297 899 T C 1.309 175.708 174.700 -0.501 0.000 0.925 899 T CA 1.034 62.957 62.100 -0.295 0.000 1.030 899 T CB -0.264 68.549 68.868 -0.092 0.000 0.905 899 T HN 1.974 nan 8.240 nan 0.000 0.502 900 G N 3.703 111.849 108.800 -1.090 0.000 2.550 900 G HA2 0.121 4.097 3.960 0.027 0.000 0.277 900 G HA3 0.121 4.097 3.960 0.027 0.000 0.277 900 G C 0.243 174.508 174.900 -1.057 0.000 1.190 900 G CA -0.246 44.283 45.100 -0.952 0.000 0.971 900 G HN 2.060 nan 8.290 nan 0.000 0.559 901 A N -2.183 120.233 122.820 -0.674 0.000 1.701 901 A HA 0.181 4.517 4.320 0.027 0.000 0.223 901 A C -0.045 176.999 177.584 -0.899 0.000 1.303 901 A CA 1.643 53.311 52.037 -0.614 0.000 0.689 901 A CB -1.740 17.000 19.000 -0.434 0.000 1.177 901 A HN 2.063 nan 8.150 nan 0.000 0.227 902 F N 0.771 120.306 119.950 -0.692 0.000 2.469 902 F HA 0.702 5.246 4.527 0.027 0.000 0.332 902 F C 0.718 176.004 175.800 -0.856 0.000 1.103 902 F CA 0.315 57.717 58.000 -0.996 0.000 0.979 902 F CB 1.789 39.578 39.000 -2.018 0.000 1.137 902 F HN 0.871 nan 8.300 nan 0.000 0.463 903 K N 0.641 120.827 120.400 -0.355 0.000 2.130 903 K HA 0.381 4.718 4.320 0.027 0.000 0.268 903 K C 0.039 176.629 176.600 -0.016 0.000 0.983 903 K CA -0.621 55.561 56.287 -0.175 0.000 0.893 903 K CB 0.457 32.889 32.500 -0.114 0.000 1.066 903 K HN 0.644 nan 8.250 nan 0.000 0.450 904 D N 0.621 121.034 120.400 0.022 0.000 2.277 904 D HA -0.075 4.581 4.640 0.027 0.000 0.208 904 D C 0.776 176.939 176.300 -0.229 0.000 0.962 904 D CA 1.718 55.773 54.000 0.092 0.000 0.865 904 D CB 0.548 41.378 40.800 0.051 0.000 0.939 904 D HN 0.857 nan 8.370 nan 0.000 0.510 905 E N -0.154 119.788 120.200 -0.430 0.000 2.869 905 E HA 0.131 4.497 4.350 0.027 0.000 0.207 905 E C 0.689 177.214 176.600 -0.126 0.000 0.986 905 E CA 0.010 56.030 56.400 -0.634 0.000 1.131 905 E CB 0.401 29.292 29.700 -1.349 0.000 1.098 905 E HN -0.035 nan 8.360 nan 0.000 0.459 906 V N -0.500 119.459 119.914 0.075 0.000 2.591 906 V HA -0.169 3.967 4.120 0.027 0.000 0.249 906 V C 2.959 179.212 176.094 0.264 0.000 1.053 906 V CA 1.544 63.979 62.300 0.225 0.000 1.068 906 V CB -0.818 31.091 31.823 0.143 0.000 0.689 906 V HN 0.495 nan 8.190 nan 0.000 0.462 907 L N 0.145 121.499 121.223 0.217 0.000 1.994 907 L HA -0.127 4.229 4.340 0.027 0.000 0.208 907 L C 2.494 179.548 176.870 0.306 0.000 1.071 907 L CA 2.919 57.909 54.840 0.249 0.000 0.745 907 L CB -1.871 40.299 42.059 0.184 0.000 0.892 907 L HN 0.450 nan 8.230 nan 0.000 0.431 908 N N -1.142 117.701 118.700 0.238 0.000 2.061 908 N HA -0.232 4.524 4.740 0.027 0.000 0.193 908 N C 1.799 177.467 175.510 0.263 0.000 1.030 908 N CA 2.073 55.291 53.050 0.279 0.000 0.856 908 N CB -0.560 38.124 38.487 0.329 0.000 1.023 908 N HN 0.836 nan 8.380 nan 0.000 0.424 909 H N -2.034 117.169 119.070 0.222 0.000 2.319 909 H HA -0.185 4.387 4.556 0.027 0.000 0.297 909 H C 1.735 177.182 175.328 0.197 0.000 1.097 909 H CA 1.943 58.085 56.048 0.156 0.000 1.285 909 H CB -0.210 29.624 29.762 0.121 0.000 1.368 909 H HN 0.388 nan 8.280 nan 0.000 0.495 910 W N 1.064 122.497 121.300 0.222 0.000 2.381 910 W HA -0.140 4.536 4.660 0.027 0.000 0.301 910 W C 1.847 178.469 176.519 0.172 0.000 1.205 910 W CA 1.245 58.689 57.345 0.164 0.000 1.285 910 W CB -0.424 29.121 29.460 0.141 0.000 1.133 910 W HN 0.078 nan 8.180 nan 0.000 0.521 911 L N 0.917 122.355 121.223 0.358 0.000 1.976 911 L HA -0.260 4.096 4.340 0.027 0.000 0.209 911 L C 2.908 179.935 176.870 0.262 0.000 1.071 911 L CA 2.376 57.365 54.840 0.248 0.000 0.746 911 L CB -1.631 40.637 42.059 0.348 0.000 0.890 911 L HN 0.029 nan 8.230 nan 0.000 0.432 912 K N 0.341 120.933 120.400 0.319 0.000 2.074 912 K HA -0.246 4.090 4.320 0.027 0.000 0.209 912 K C 2.107 178.677 176.600 -0.051 0.000 1.048 912 K CA 2.113 58.365 56.287 -0.059 0.000 0.926 912 K CB -1.751 30.542 32.500 -0.344 0.000 0.713 912 K HN 0.547 nan 8.250 nan 0.000 0.444 913 E N 1.276 121.448 120.200 -0.047 0.000 2.153 913 E HA -0.140 4.227 4.350 0.027 0.000 0.194 913 E C 2.132 178.628 176.600 -0.174 0.000 0.988 913 E CA 1.437 57.779 56.400 -0.096 0.000 0.811 913 E CB -0.280 29.374 29.700 -0.077 0.000 0.746 913 E HN 0.528 nan 8.360 nan 0.000 0.466 914 K N 0.237 120.468 120.400 -0.282 0.000 2.356 914 K HA 0.078 4.414 4.320 0.027 0.000 0.195 914 K C 0.645 177.157 176.600 -0.147 0.000 1.037 914 K CA 0.741 56.828 56.287 -0.333 0.000 1.014 914 K CB 0.718 32.785 32.500 -0.721 0.000 0.815 914 K HN 0.433 nan 8.250 nan 0.000 0.507 915 S N 1.220 116.895 115.700 -0.041 0.000 2.438 915 S HA 0.368 4.854 4.470 0.027 0.000 0.316 915 S C -2.276 172.344 174.600 0.034 0.000 1.084 915 S CA -1.300 56.925 58.200 0.042 0.000 1.107 915 S CB 1.928 65.227 63.200 0.166 0.000 0.981 915 S HN -0.184 nan 8.310 nan 0.000 0.466 916 P HA 0.044 nan 4.420 nan 0.000 0.221 916 P C 0.631 177.939 177.300 0.013 0.000 1.150 916 P CA 0.977 64.080 63.100 0.005 0.000 0.800 916 P CB 0.037 31.740 31.700 0.006 0.000 0.787 917 T N -3.607 110.972 114.554 0.041 0.000 2.876 917 T HA 0.277 4.643 4.350 0.027 0.000 0.289 917 T C 0.852 175.605 174.700 0.088 0.000 1.014 917 T CA -0.750 61.377 62.100 0.044 0.000 0.986 917 T CB 1.730 70.623 68.868 0.041 0.000 1.021 917 T HN -0.233 nan 8.240 nan 0.000 0.458 918 E N 1.399 121.640 120.200 0.067 0.000 2.333 918 E HA -0.146 4.220 4.350 0.027 0.000 0.200 918 E C 2.150 178.851 176.600 0.168 0.000 1.010 918 E CA 1.760 58.232 56.400 0.120 0.000 0.841 918 E CB -0.064 29.670 29.700 0.056 0.000 0.757 918 E HN 0.963 nan 8.360 nan 0.000 0.508 919 E N 0.958 121.223 120.200 0.109 0.000 2.051 919 E HA -0.115 4.251 4.350 0.027 0.000 0.189 919 E C 2.113 178.767 176.600 0.089 0.000 0.979 919 E CA 1.674 58.127 56.400 0.088 0.000 0.803 919 E CB -0.895 28.840 29.700 0.058 0.000 0.761 919 E HN 0.345 nan 8.360 nan 0.000 0.451 920 K N -0.054 120.402 120.400 0.093 0.000 2.211 920 K HA 0.121 4.457 4.320 0.027 0.000 0.203 920 K C 1.988 178.652 176.600 0.106 0.000 1.050 920 K CA 1.375 57.710 56.287 0.080 0.000 0.945 920 K CB -0.914 31.627 32.500 0.068 0.000 0.732 920 K HN 0.511 nan 8.250 nan 0.000 0.451 921 F N 1.431 121.386 119.950 0.009 0.000 2.128 921 F HA -0.107 4.437 4.527 0.027 0.000 0.295 921 F C 2.383 178.201 175.800 0.029 0.000 1.100 921 F CA 1.465 59.472 58.000 0.012 0.000 1.260 921 F CB 0.159 39.162 39.000 0.004 0.000 1.009 921 F HN 0.154 nan 8.300 nan 0.000 0.476 922 Q N 0.707 120.530 119.800 0.039 0.000 2.181 922 Q HA -0.139 4.217 4.340 0.027 0.000 0.205 922 Q C 2.416 178.364 176.000 -0.087 0.000 0.980 922 Q CA 1.372 57.146 55.803 -0.048 0.000 0.862 922 Q CB -0.913 27.879 28.738 0.090 0.000 0.905 922 Q HN 0.582 nan 8.270 nan 0.000 0.429 923 A N 0.689 123.476 122.820 -0.054 0.000 1.897 923 A HA 0.002 4.338 4.320 0.027 0.000 0.215 923 A C 2.304 179.836 177.584 -0.086 0.000 1.181 923 A CA 1.580 53.585 52.037 -0.055 0.000 0.620 923 A CB -0.553 18.439 19.000 -0.012 0.000 0.821 923 A HN 0.346 nan 8.150 nan 0.000 0.443 924 A N -0.490 122.264 122.820 -0.110 0.000 1.972 924 A HA 0.014 4.350 4.320 0.027 0.000 0.219 924 A C 2.105 179.612 177.584 -0.130 0.000 1.169 924 A CA 1.729 53.710 52.037 -0.093 0.000 0.635 924 A CB -0.752 18.193 19.000 -0.090 0.000 0.810 924 A HN 0.402 nan 8.150 nan 0.000 0.446 925 V N -0.163 119.576 119.914 -0.291 0.000 2.809 925 V HA -0.102 4.034 4.120 0.027 0.000 0.256 925 V C 2.933 178.980 176.094 -0.079 0.000 1.080 925 V CA 2.211 64.384 62.300 -0.211 0.000 1.102 925 V CB -1.054 30.588 31.823 -0.301 0.000 0.705 925 V HN 0.791 nan 8.190 nan 0.000 0.475 926 E N 0.612 120.714 120.200 -0.163 0.000 2.086 926 E HA -0.176 4.190 4.350 0.027 0.000 0.190 926 E C 2.251 178.651 176.600 -0.335 0.000 0.975 926 E CA 1.093 57.290 56.400 -0.338 0.000 0.813 926 E CB -0.497 28.997 29.700 -0.343 0.000 0.768 926 E HN 0.598 nan 8.360 nan 0.000 0.457 927 R N -1.219 119.196 120.500 -0.142 0.000 2.105 927 R HA -0.064 4.292 4.340 0.027 0.000 0.239 927 R C 2.194 178.530 176.300 0.060 0.000 1.135 927 R CA 1.755 57.842 56.100 -0.021 0.000 0.967 927 R CB -0.536 29.792 30.300 0.047 0.000 0.861 927 R HN 0.480 nan 8.270 nan 0.000 0.442 928 F N 0.295 120.210 119.950 -0.058 0.000 2.146 928 F HA -0.158 4.386 4.527 0.027 0.000 0.298 928 F C 1.835 177.634 175.800 -0.001 0.000 1.096 928 F CA 1.321 59.306 58.000 -0.025 0.000 1.275 928 F CB -0.172 38.797 39.000 -0.052 0.000 1.008 928 F HN -0.183 nan 8.300 nan 0.000 0.480 929 V N -0.301 119.673 119.914 0.100 0.000 2.343 929 V HA -0.316 3.820 4.120 0.027 0.000 0.247 929 V C 2.148 178.297 176.094 0.091 0.000 1.051 929 V CA 1.854 64.198 62.300 0.074 0.000 1.036 929 V CB -0.964 30.812 31.823 -0.079 0.000 0.654 929 V HN 0.331 nan 8.190 nan 0.000 0.451 930 Y N 1.541 121.790 120.300 -0.085 0.000 2.092 930 Y HA -0.204 4.362 4.550 0.027 0.000 0.282 930 Y C 3.056 178.869 175.900 -0.145 0.000 1.126 930 Y CA 1.267 59.276 58.100 -0.151 0.000 1.111 930 Y CB -1.545 36.819 38.460 -0.159 0.000 0.987 930 Y HN 0.436 nan 8.280 nan 0.000 0.489 931 S N -0.819 114.942 115.700 0.102 0.000 2.372 931 S HA -0.315 4.171 4.470 0.027 0.000 0.227 931 S C 2.321 176.985 174.600 0.107 0.000 1.044 931 S CA 1.499 59.772 58.200 0.123 0.000 1.050 931 S CB -1.575 61.726 63.200 0.167 0.000 0.901 931 S HN 0.586 nan 8.310 nan 0.000 0.447 932 C N 2.235 121.456 119.300 -0.131 0.000 2.413 932 C HA 0.103 4.579 4.460 0.027 0.000 0.276 932 C C 3.168 178.248 174.990 0.149 0.000 1.248 932 C CA 0.981 59.920 59.018 -0.131 0.000 1.742 932 C CB -1.838 25.586 27.740 -0.526 0.000 2.017 932 C HN 0.713 nan 8.230 nan 0.000 0.481 933 A N 0.401 123.273 122.820 0.087 0.000 1.873 933 A HA 0.113 4.449 4.320 0.027 0.000 0.215 933 A C 2.500 179.964 177.584 -0.200 0.000 1.186 933 A CA 2.132 54.080 52.037 -0.148 0.000 0.616 933 A CB -1.600 17.180 19.000 -0.366 0.000 0.823 933 A HN 0.685 nan 8.150 nan 0.000 0.442 934 G N -1.432 107.229 108.800 -0.231 0.000 2.491 934 G HA2 -0.292 3.684 3.960 0.027 0.000 0.218 934 G HA3 -0.292 3.684 3.960 0.027 0.000 0.218 934 G C 1.476 176.303 174.900 -0.123 0.000 1.180 934 G CA 1.364 46.276 45.100 -0.313 0.000 0.774 934 G HN 0.575 nan 8.290 nan 0.000 0.562 935 Y N -0.181 120.114 120.300 -0.007 0.000 2.439 935 Y HA -0.043 4.524 4.550 0.027 0.000 0.292 935 Y C 3.028 178.907 175.900 -0.034 0.000 1.130 935 Y CA 0.472 58.552 58.100 -0.034 0.000 1.254 935 Y CB -0.113 38.291 38.460 -0.094 0.000 1.000 935 Y HN 0.236 nan 8.280 nan 0.000 0.554 936 C N -1.391 117.960 119.300 0.084 0.000 2.466 936 C HA -0.095 4.381 4.460 0.027 0.000 0.278 936 C C 2.649 177.481 174.990 -0.263 0.000 1.288 936 C CA 0.733 59.628 59.018 -0.205 0.000 1.722 936 C CB -0.933 26.599 27.740 -0.347 0.000 2.017 936 C HN 0.333 nan 8.230 nan 0.000 0.488 937 V N 1.562 121.443 119.914 -0.054 0.000 2.255 937 V HA -0.151 3.985 4.120 0.027 0.000 0.243 937 V C 2.768 178.995 176.094 0.223 0.000 1.038 937 V CA 2.171 64.531 62.300 0.100 0.000 1.008 937 V CB -1.515 30.312 31.823 0.007 0.000 0.645 937 V HN 0.542 nan 8.190 nan 0.000 0.449 938 A N 1.176 124.112 122.820 0.193 0.000 1.903 938 A HA -0.314 4.022 4.320 0.027 0.000 0.219 938 A C 2.486 180.162 177.584 0.152 0.000 1.191 938 A CA 3.231 55.346 52.037 0.130 0.000 0.638 938 A CB -1.226 17.788 19.000 0.023 0.000 0.823 938 A HN 0.677 nan 8.150 nan 0.000 0.451 939 T N -3.786 110.886 114.554 0.197 0.000 2.904 939 T HA -0.080 4.286 4.350 0.027 0.000 0.267 939 T C 1.686 176.608 174.700 0.369 0.000 1.059 939 T CA 1.312 63.579 62.100 0.279 0.000 1.137 939 T CB -0.438 68.624 68.868 0.324 0.000 0.879 939 T HN 0.333 nan 8.240 nan 0.000 0.467 940 F N 2.634 122.731 119.950 0.245 0.000 2.075 940 F HA 0.004 4.547 4.527 0.027 0.000 0.297 940 F C 2.232 178.247 175.800 0.359 0.000 1.113 940 F CA 0.746 58.949 58.000 0.338 0.000 1.218 940 F CB -0.746 38.436 39.000 0.304 0.000 0.984 940 F HN 0.001 nan 8.300 nan 0.000 0.472 941 V N 1.025 121.049 119.914 0.185 0.000 2.287 941 V HA -0.317 3.819 4.120 0.027 0.000 0.248 941 V C 2.434 178.578 176.094 0.083 0.000 1.053 941 V CA 2.135 64.460 62.300 0.041 0.000 1.027 941 V CB -0.849 31.040 31.823 0.109 0.000 0.646 941 V HN 0.385 nan 8.190 nan 0.000 0.447 942 L N 0.208 121.521 121.223 0.150 0.000 2.552 942 L HA 0.226 4.583 4.340 0.027 0.000 0.227 942 L C 1.727 178.705 176.870 0.179 0.000 1.146 942 L CA 0.827 55.791 54.840 0.207 0.000 0.858 942 L CB -0.618 41.532 42.059 0.152 0.000 0.969 942 L HN 0.595 nan 8.230 nan 0.000 0.451 943 G N 1.567 110.455 108.800 0.146 0.000 2.160 943 G HA2 -0.293 3.684 3.960 0.027 0.000 0.251 943 G HA3 -0.293 3.684 3.960 0.027 0.000 0.251 943 G C 0.567 175.493 174.900 0.044 0.000 1.008 943 G CA 0.476 45.511 45.100 -0.109 0.000 0.724 943 G HN 0.581 nan 8.290 nan 0.000 0.514 944 I N -3.137 117.559 120.570 0.209 0.000 3.424 944 I HA 0.585 4.771 4.170 0.027 0.000 0.339 944 I C 1.343 177.731 176.117 0.452 0.000 1.549 944 I CA 0.037 61.535 61.300 0.329 0.000 1.049 944 I CB 0.171 38.371 38.000 0.333 0.000 1.439 944 I HN 0.003 nan 8.210 nan 0.000 0.500 945 G N 0.915 109.981 108.800 0.442 0.000 2.430 945 G HA2 -0.176 3.800 3.960 0.027 0.000 0.216 945 G HA3 -0.176 3.800 3.960 0.027 0.000 0.216 945 G C 0.533 175.701 174.900 0.446 0.000 1.146 945 G CA 0.285 45.696 45.100 0.517 0.000 0.793 945 G HN 0.451 nan 8.290 nan 0.000 0.537 946 D N 1.164 121.790 120.400 0.376 0.000 2.498 946 D HA 0.132 4.788 4.640 0.027 0.000 0.229 946 D C 0.536 176.993 176.300 0.262 0.000 1.188 946 D CA -0.107 54.088 54.000 0.325 0.000 1.028 946 D CB -0.051 40.947 40.800 0.330 0.000 1.087 946 D HN 0.048 nan 8.370 nan 0.000 0.510 947 R N 1.450 122.041 120.500 0.152 0.000 2.875 947 R HA 0.486 4.842 4.340 0.027 0.000 0.251 947 R C -0.140 176.057 176.300 -0.171 0.000 1.123 947 R CA -0.871 55.148 56.100 -0.136 0.000 1.064 947 R CB 0.778 30.957 30.300 -0.201 0.000 1.205 947 R HN 0.536 nan 8.270 nan 0.000 0.503 948 H N -1.866 116.919 119.070 -0.475 0.000 2.538 948 H HA 0.360 4.932 4.556 0.027 0.000 0.353 948 H C 0.574 175.723 175.328 -0.298 0.000 1.109 948 H CA -0.719 55.036 56.048 -0.488 0.000 1.192 948 H CB 0.936 29.963 29.762 -1.225 0.000 1.555 948 H HN 0.573 nan 8.280 nan 0.000 0.518 949 N N 1.178 119.876 118.700 -0.004 0.000 1.313 949 N HA -0.393 4.363 4.740 0.027 0.000 0.108 949 N C 0.956 176.426 175.510 -0.066 0.000 0.342 949 N CA 2.829 55.902 53.050 0.038 0.000 0.803 949 N CB -0.361 38.263 38.487 0.229 0.000 0.598 949 N HN 0.958 nan 8.380 nan 0.000 1.412 950 D N -0.377 119.999 120.400 -0.040 0.000 2.378 950 D HA -0.083 4.573 4.640 0.027 0.000 0.222 950 D C 0.557 176.706 176.300 -0.251 0.000 0.980 950 D CA 1.046 54.984 54.000 -0.103 0.000 0.907 950 D CB -1.003 39.778 40.800 -0.032 0.000 0.899 950 D HN 0.487 nan 8.370 nan 0.000 0.527 951 N N -0.581 117.874 118.700 -0.409 0.000 2.270 951 N HA 0.227 4.983 4.740 0.027 0.000 0.198 951 N C -0.265 174.952 175.510 -0.488 0.000 1.117 951 N CA -0.155 52.607 53.050 -0.480 0.000 0.845 951 N CB 0.740 38.840 38.487 -0.644 0.000 0.980 951 N HN 0.174 nan 8.380 nan 0.000 0.486 952 I N 1.126 121.439 120.570 -0.430 0.000 2.436 952 I HA 0.359 4.546 4.170 0.027 0.000 0.289 952 I C -0.516 175.354 176.117 -0.411 0.000 1.010 952 I CA -0.480 60.542 61.300 -0.463 0.000 1.098 952 I CB 1.724 39.503 38.000 -0.368 0.000 1.266 952 I HN -0.148 nan 8.210 nan 0.000 0.434 953 M N 6.086 125.301 119.600 -0.642 0.000 2.796 953 M HA 0.647 5.143 4.480 0.027 0.000 0.303 953 M C -0.983 174.985 176.300 -0.553 0.000 1.240 953 M CA -0.879 54.007 55.300 -0.689 0.000 0.831 953 M CB 3.339 35.312 32.600 -1.045 0.000 1.750 953 M HN 0.472 nan 8.290 nan 0.000 0.484 954 I N 0.396 120.824 120.570 -0.237 0.000 2.752 954 I HA 0.385 4.571 4.170 0.027 0.000 0.295 954 I C -0.440 175.876 176.117 0.333 0.000 1.219 954 I CA -0.322 61.038 61.300 0.100 0.000 1.030 954 I CB 2.486 40.551 38.000 0.108 0.000 1.259 954 I HN 0.861 nan 8.210 nan 0.000 0.423 955 T N 1.298 116.135 114.554 0.472 0.000 2.849 955 T HA 0.320 4.686 4.350 0.027 0.000 0.284 955 T C 0.723 175.718 174.700 0.492 0.000 1.004 955 T CA -0.435 61.932 62.100 0.445 0.000 1.021 955 T CB 1.281 70.340 68.868 0.318 0.000 1.013 955 T HN 0.695 nan 8.240 nan 0.000 0.527 956 E N 0.088 120.512 120.200 0.373 0.000 2.409 956 E HA -0.043 4.323 4.350 0.027 0.000 0.198 956 E C 1.101 177.761 176.600 0.101 0.000 1.024 956 E CA 0.801 57.281 56.400 0.132 0.000 0.861 956 E CB -0.178 29.509 29.700 -0.020 0.000 0.788 956 E HN 0.693 nan 8.360 nan 0.000 0.521 957 T N -0.325 114.322 114.554 0.155 0.000 3.188 957 T HA 0.190 4.556 4.350 0.027 0.000 0.250 957 T C 1.136 175.920 174.700 0.141 0.000 1.077 957 T CA 0.432 62.599 62.100 0.113 0.000 0.967 957 T CB 0.514 69.440 68.868 0.096 0.000 1.006 957 T HN 0.355 nan 8.240 nan 0.000 0.552 958 G N 2.328 111.262 108.800 0.223 0.000 2.153 958 G HA2 -0.258 3.718 3.960 0.027 0.000 0.252 958 G HA3 -0.258 3.718 3.960 0.027 0.000 0.252 958 G C 0.031 175.109 174.900 0.296 0.000 0.994 958 G CA -0.350 44.910 45.100 0.266 0.000 0.698 958 G HN 0.504 nan 8.290 nan 0.000 0.521 959 N N 0.183 119.048 118.700 0.275 0.000 2.408 959 N HA 0.459 5.215 4.740 0.027 0.000 0.257 959 N C 0.130 175.853 175.510 0.355 0.000 1.064 959 N CA -0.385 52.826 53.050 0.268 0.000 0.952 959 N CB 0.921 39.540 38.487 0.221 0.000 1.093 959 N HN 0.303 nan 8.380 nan 0.000 0.490 960 L N 5.005 126.373 121.223 0.242 0.000 2.375 960 L HA 0.611 4.967 4.340 0.027 0.000 0.271 960 L C -0.805 176.201 176.870 0.226 0.000 1.107 960 L CA -0.162 54.756 54.840 0.130 0.000 0.806 960 L CB 0.211 42.169 42.059 -0.168 0.000 1.146 960 L HN 0.502 nan 8.230 nan 0.000 0.447 961 F N 0.682 120.478 119.950 -0.256 0.000 2.669 961 F HA 0.431 4.974 4.527 0.027 0.000 0.315 961 F C -0.949 174.673 175.800 -0.296 0.000 1.109 961 F CA -0.987 56.663 58.000 -0.583 0.000 1.028 961 F CB 0.575 39.540 39.000 -0.057 0.000 1.287 961 F HN 0.502 nan 8.300 nan 0.000 0.452 962 H N 3.505 122.252 119.070 -0.538 0.000 2.547 962 H HA 0.770 5.342 4.556 0.027 0.000 0.362 962 H C -0.109 175.122 175.328 -0.162 0.000 1.181 962 H CA -0.266 55.614 56.048 -0.280 0.000 1.376 962 H CB 2.268 31.996 29.762 -0.057 0.000 1.488 962 H HN 0.781 nan 8.280 nan 0.000 0.583 963 I N -1.980 118.398 120.570 -0.320 0.000 3.264 963 I HA 0.306 4.492 4.170 0.027 0.000 0.315 963 I C -0.653 175.109 176.117 -0.592 0.000 1.154 963 I CA -1.128 59.977 61.300 -0.326 0.000 0.962 963 I CB 2.143 39.968 38.000 -0.291 0.000 1.265 963 I HN 0.522 nan 8.210 nan 0.000 0.463 964 D N 1.811 122.007 120.400 -0.339 0.000 3.038 964 D HA -0.239 4.417 4.640 0.027 0.000 0.229 964 D C -0.648 175.504 176.300 -0.247 0.000 1.182 964 D CA 0.752 54.622 54.000 -0.217 0.000 0.852 964 D CB -0.836 39.850 40.800 -0.190 0.000 0.932 964 D HN 0.522 nan 8.370 nan 0.000 0.406 965 F N 0.756 120.792 119.950 0.144 0.000 2.869 965 F HA 0.329 4.872 4.527 0.027 0.000 0.298 965 F C 2.257 178.150 175.800 0.155 0.000 1.235 965 F CA -0.051 58.068 58.000 0.198 0.000 1.402 965 F CB -0.081 38.998 39.000 0.131 0.000 1.142 965 F HN 0.302 nan 8.300 nan 0.000 0.529 966 G N -0.028 108.904 108.800 0.221 0.000 2.719 966 G HA2 -0.290 3.686 3.960 0.027 0.000 0.219 966 G HA3 -0.290 3.686 3.960 0.027 0.000 0.219 966 G C 0.711 175.700 174.900 0.149 0.000 1.234 966 G CA 0.601 45.790 45.100 0.148 0.000 0.788 966 G HN 0.447 nan 8.290 nan 0.000 0.619 967 H N -0.677 118.422 119.070 0.047 0.000 2.822 967 H HA 0.308 4.881 4.556 0.027 0.000 0.373 967 H C -0.232 175.092 175.328 -0.007 0.000 1.223 967 H CA -0.512 55.552 56.048 0.027 0.000 1.436 967 H CB 1.048 30.833 29.762 0.039 0.000 1.439 967 H HN 0.120 nan 8.280 nan 0.000 0.618 968 I N 3.509 124.080 120.570 0.002 0.000 2.382 968 I HA 0.202 4.388 4.170 0.027 0.000 0.286 968 I C 0.435 176.518 176.117 -0.057 0.000 1.002 968 I CA -0.151 61.127 61.300 -0.037 0.000 1.135 968 I CB -0.000 37.956 38.000 -0.074 0.000 1.288 968 I HN 0.714 nan 8.210 nan 0.000 0.448 982 R N -0.001 120.504 120.500 0.007 0.000 2.598 982 R HA 0.980 5.336 4.340 0.027 0.000 0.279 982 R C -0.241 176.077 176.300 0.030 0.000 0.984 982 R CA -0.130 55.997 56.100 0.045 0.000 0.999 982 R CB 1.688 32.036 30.300 0.080 0.000 1.114 982 R HN 1.615 nan 8.270 nan 0.000 0.493 983 V N 3.653 123.601 119.914 0.056 0.000 2.709 983 V HA 0.512 4.648 4.120 0.027 0.000 0.308 983 V C -1.928 174.183 176.094 0.029 0.000 1.062 983 V CA -2.000 60.290 62.300 -0.016 0.000 0.901 983 V CB 2.760 34.556 31.823 -0.045 0.000 1.003 983 V HN 0.810 nan 8.190 nan 0.000 0.425 984 P HA 0.012 nan 4.420 nan 0.000 0.218 984 P C -0.494 177.024 177.300 0.364 0.000 1.148 984 P CA 1.423 64.585 63.100 0.104 0.000 0.822 984 P CB 0.007 31.534 31.700 -0.288 0.000 0.784 985 F N -7.280 112.767 119.950 0.163 0.000 2.829 985 F HA 0.326 4.869 4.527 0.026 0.000 0.319 985 F C -1.353 174.546 175.800 0.164 0.000 1.153 985 F CA -1.712 56.423 58.000 0.225 0.000 0.912 985 F CB 0.368 39.527 39.000 0.265 0.000 1.292 985 F HN -0.560 nan 8.300 nan 0.000 0.447 986 V N 2.677 122.836 119.914 0.409 0.000 2.403 986 V HA 0.300 4.436 4.120 0.027 0.000 0.265 986 V C -0.425 175.801 176.094 0.219 0.000 1.034 986 V CA 0.179 62.587 62.300 0.181 0.000 1.036 986 V CB 0.595 32.501 31.823 0.138 0.000 1.032 986 V HN 0.621 nan 8.190 nan 0.000 0.478 987 L N 6.914 128.112 121.223 -0.042 0.000 2.502 987 L HA 0.429 4.785 4.340 0.027 0.000 0.249 987 L C 0.499 177.173 176.870 -0.327 0.000 1.446 987 L CA 0.047 54.880 54.840 -0.011 0.000 0.887 987 L CB 1.161 43.295 42.059 0.124 0.000 1.126 987 L HN 0.720 nan 8.230 nan 0.000 0.509 988 T N -0.302 113.813 114.554 -0.731 0.000 2.882 988 T HA 0.409 4.775 4.350 0.027 0.000 0.287 988 T C -1.825 172.440 174.700 -0.724 0.000 1.014 988 T CA -1.657 59.884 62.100 -0.931 0.000 1.049 988 T CB 0.844 68.901 68.868 -1.352 0.000 1.001 988 T HN 0.180 nan 8.240 nan 0.000 0.525 989 P HA -0.179 nan 4.420 nan 0.000 0.219 989 P C 1.195 178.482 177.300 -0.022 0.000 1.144 989 P CA 1.216 64.097 63.100 -0.364 0.000 0.806 989 P CB -0.025 31.449 31.700 -0.377 0.000 0.771 990 D N -2.053 118.334 120.400 -0.022 0.000 2.234 990 D HA -0.127 4.529 4.640 0.027 0.000 0.205 990 D C 1.651 178.211 176.300 0.434 0.000 0.962 990 D CA 0.859 55.055 54.000 0.325 0.000 0.855 990 D CB -1.078 40.035 40.800 0.522 0.000 0.951 990 D HN 0.096 nan 8.370 nan 0.000 0.500 991 F N 1.304 121.326 119.950 0.120 0.000 2.098 991 F HA 0.118 4.661 4.527 0.027 0.000 0.294 991 F C 2.532 178.444 175.800 0.187 0.000 1.107 991 F CA 0.115 58.277 58.000 0.270 0.000 1.234 991 F CB -1.151 38.048 39.000 0.331 0.000 1.002 991 F HN -0.077 nan 8.300 nan 0.000 0.472 992 L N -1.252 120.150 121.223 0.299 0.000 2.081 992 L HA -0.282 4.074 4.340 0.027 0.000 0.212 992 L C 2.489 179.447 176.870 0.146 0.000 1.080 992 L CA 1.477 56.410 54.840 0.155 0.000 0.754 992 L CB -0.894 41.171 42.059 0.010 0.000 0.893 992 L HN 0.056 nan 8.230 nan 0.000 0.433 993 F N 0.015 119.999 119.950 0.057 0.000 2.171 993 F HA -0.175 4.368 4.527 0.027 0.000 0.300 993 F C 2.232 178.049 175.800 0.027 0.000 1.090 993 F CA 1.208 59.231 58.000 0.038 0.000 1.293 993 F CB -0.038 38.996 39.000 0.058 0.000 1.013 993 F HN -0.260 nan 8.300 nan 0.000 0.486 994 V N 0.541 120.550 119.914 0.157 0.000 2.490 994 V HA -0.316 3.820 4.120 0.027 0.000 0.250 994 V C 2.101 178.187 176.094 -0.013 0.000 1.061 994 V CA 2.025 64.318 62.300 -0.013 0.000 1.064 994 V CB -0.561 31.052 31.823 -0.351 0.000 0.670 994 V HN 0.380 nan 8.190 nan 0.000 0.461 995 M N -0.719 118.925 119.600 0.073 0.000 2.618 995 M HA 0.233 4.729 4.480 0.027 0.000 0.240 995 M C 1.694 178.019 176.300 0.042 0.000 1.123 995 M CA 1.035 56.431 55.300 0.160 0.000 1.060 995 M CB 0.308 33.065 32.600 0.262 0.000 1.535 995 M HN 0.496 nan 8.290 nan 0.000 0.507 996 G N 0.019 108.739 108.800 -0.134 0.000 2.232 996 G HA2 -0.192 3.784 3.960 0.027 0.000 0.226 996 G HA3 -0.192 3.784 3.960 0.027 0.000 0.226 996 G C 0.300 175.064 174.900 -0.226 0.000 0.996 996 G CA 0.063 45.018 45.100 -0.241 0.000 0.626 996 G HN 0.388 nan 8.290 nan 0.000 0.509 997 T N 1.591 116.053 114.554 -0.153 0.000 2.882 997 T HA 0.602 4.968 4.350 0.027 0.000 0.287 997 T C 0.352 174.968 174.700 -0.140 0.000 0.992 997 T CA 0.559 62.548 62.100 -0.185 0.000 1.076 997 T CB 1.565 70.224 68.868 -0.348 0.000 0.961 997 T HN 1.173 nan 8.240 nan 0.000 0.490 998 S N 1.483 117.119 115.700 -0.107 0.000 2.502 998 S HA 0.628 5.114 4.470 0.027 0.000 0.304 998 S C 0.467 175.018 174.600 -0.081 0.000 1.097 998 S CA -0.986 57.196 58.200 -0.029 0.000 1.045 998 S CB 1.389 64.618 63.200 0.049 0.000 1.019 998 S HN 0.934 nan 8.310 nan 0.000 0.481 999 G N 1.670 110.423 108.800 -0.079 0.000 2.101 999 G HA2 0.425 4.401 3.960 0.027 0.000 0.262 999 G HA3 0.425 4.401 3.960 0.027 0.000 0.262 999 G C -0.031 174.827 174.900 -0.071 0.000 1.041 999 G CA 0.016 45.057 45.100 -0.099 0.000 1.002 999 G HN 1.252 nan 8.290 nan 0.000 0.403 1000 K N 2.333 122.682 120.400 -0.086 0.000 2.535 1000 K HA 0.751 5.087 4.320 0.027 0.000 0.250 1000 K C 0.046 176.567 176.600 -0.131 0.000 0.948 1000 K CA -0.496 55.709 56.287 -0.137 0.000 0.796 1000 K CB 1.582 34.011 32.500 -0.119 0.000 1.216 1000 K HN 0.910 nan 8.250 nan 0.000 0.432 1001 K N -0.828 119.456 120.400 -0.194 0.000 1.731 1001 K HA 0.768 5.104 4.320 0.027 0.000 0.303 1001 K C -0.302 176.195 176.600 -0.172 0.000 0.896 1001 K CA -0.280 55.925 56.287 -0.137 0.000 0.452 1001 K CB 0.510 32.956 32.500 -0.090 0.000 3.271 1001 K HN 0.455 nan 8.250 nan 0.000 1.165 1002 T N -0.032 114.466 114.554 -0.094 0.000 2.840 1002 T HA 0.695 5.061 4.350 0.027 0.000 0.317 1002 T C -1.648 173.074 174.700 0.036 0.000 1.401 1002 T CA -0.726 61.383 62.100 0.015 0.000 1.028 1002 T CB 1.677 70.614 68.868 0.115 0.000 1.317 1002 T HN 0.762 nan 8.240 nan 0.000 0.495 1003 S N 0.000 115.780 115.700 0.133 0.000 2.588 1003 S HA 0.582 5.068 4.470 0.027 0.000 0.269 1003 S C -2.748 171.942 174.600 0.151 0.000 1.157 1003 S CA -1.324 56.930 58.200 0.090 0.000 0.824 1003 S CB 1.403 64.622 63.200 0.032 0.000 1.126 1003 S HN 0.370 nan 8.310 nan 0.000 0.464 1004 P HA -0.101 nan 4.420 nan 0.000 0.217 1004 P C 0.824 178.296 177.300 0.288 0.000 1.148 1004 P CA 1.483 64.671 63.100 0.146 0.000 0.828 1004 P CB -0.133 31.615 31.700 0.079 0.000 0.783 1005 H N -3.890 115.238 119.070 0.097 0.000 2.520 1005 H HA 0.105 4.678 4.556 0.027 0.000 0.279 1005 H C 1.581 177.023 175.328 0.190 0.000 0.990 1005 H CA 0.043 56.157 56.048 0.110 0.000 1.288 1005 H CB -0.089 29.719 29.762 0.076 0.000 1.446 1005 H HN 0.083 nan 8.280 nan 0.000 0.538 1006 F N 1.760 121.827 119.950 0.194 0.000 2.558 1006 F HA -0.085 4.458 4.527 0.027 0.000 0.298 1006 F C 2.276 178.207 175.800 0.217 0.000 1.119 1006 F CA 0.686 58.787 58.000 0.169 0.000 1.451 1006 F CB 0.341 39.387 39.000 0.077 0.000 1.091 1006 F HN -0.008 nan 8.300 nan 0.000 0.563 1007 Q N 0.814 120.727 119.800 0.189 0.000 2.163 1007 Q HA -0.066 4.290 4.340 0.027 0.000 0.198 1007 Q C 2.221 178.246 176.000 0.040 0.000 0.954 1007 Q CA 1.397 57.254 55.803 0.090 0.000 0.851 1007 Q CB -0.217 28.599 28.738 0.131 0.000 0.928 1007 Q HN 0.391 nan 8.270 nan 0.000 0.459 1008 K N -0.827 119.621 120.400 0.079 0.000 2.026 1008 K HA -0.151 4.186 4.320 0.027 0.000 0.208 1008 K C 1.936 178.549 176.600 0.022 0.000 1.048 1008 K CA 1.291 57.603 56.287 0.041 0.000 0.929 1008 K CB -0.354 32.152 32.500 0.009 0.000 0.713 1008 K HN 0.239 nan 8.250 nan 0.000 0.439 1009 F N 2.114 122.002 119.950 -0.103 0.000 2.043 1009 F HA -0.300 4.243 4.527 0.027 0.000 0.297 1009 F C 2.213 177.908 175.800 -0.176 0.000 1.121 1009 F CA 1.890 59.811 58.000 -0.131 0.000 1.199 1009 F CB -0.334 38.577 39.000 -0.148 0.000 0.968 1009 F HN 0.126 nan 8.300 nan 0.000 0.478 1010 Q N -0.056 119.647 119.800 -0.163 0.000 2.152 1010 Q HA -0.236 4.120 4.340 0.027 0.000 0.206 1010 Q C 1.881 177.764 176.000 -0.196 0.000 0.985 1010 Q CA 1.735 57.406 55.803 -0.220 0.000 0.863 1010 Q CB -0.334 28.302 28.738 -0.170 0.000 0.904 1010 Q HN 0.510 nan 8.270 nan 0.000 0.422 1011 D N 0.314 120.627 120.400 -0.146 0.000 2.077 1011 D HA -0.130 4.527 4.640 0.027 0.000 0.196 1011 D C 1.930 178.120 176.300 -0.183 0.000 0.986 1011 D CA 0.861 54.792 54.000 -0.116 0.000 0.829 1011 D CB -0.099 40.664 40.800 -0.061 0.000 0.983 1011 D HN 0.137 nan 8.370 nan 0.000 0.453 1012 I N 1.228 121.663 120.570 -0.225 0.000 2.118 1012 I HA -0.289 3.897 4.170 0.027 0.000 0.241 1012 I C 2.729 178.596 176.117 -0.415 0.000 1.070 1012 I CA 0.783 61.896 61.300 -0.311 0.000 1.327 1012 I CB -1.392 36.438 38.000 -0.284 0.000 1.034 1012 I HN 0.118 nan 8.210 nan 0.000 0.405 1013 C N 0.465 119.465 119.300 -0.499 0.000 2.376 1013 C HA -0.168 4.308 4.460 0.027 0.000 0.275 1013 C C 3.042 177.749 174.990 -0.472 0.000 1.200 1013 C CA 0.976 59.684 59.018 -0.517 0.000 1.756 1013 C CB -1.018 26.464 27.740 -0.430 0.000 2.050 1013 C HN 0.380 nan 8.230 nan 0.000 0.460 1014 V N 0.456 120.192 119.914 -0.298 0.000 2.358 1014 V HA -0.193 3.943 4.120 0.027 0.000 0.246 1014 V C 2.423 178.422 176.094 -0.159 0.000 1.047 1014 V CA 2.091 64.285 62.300 -0.177 0.000 1.035 1014 V CB -0.646 31.141 31.823 -0.060 0.000 0.658 1014 V HN 0.467 nan 8.190 nan 0.000 0.452 1015 K N 0.599 120.888 120.400 -0.186 0.000 2.044 1015 K HA -0.173 4.163 4.320 0.027 0.000 0.210 1015 K C 2.161 178.646 176.600 -0.192 0.000 1.049 1015 K CA 1.790 57.975 56.287 -0.169 0.000 0.927 1015 K CB -0.645 31.740 32.500 -0.191 0.000 0.713 1015 K HN 0.457 nan 8.250 nan 0.000 0.443 1016 A N -0.656 121.973 122.820 -0.319 0.000 1.930 1016 A HA -0.160 4.176 4.320 0.027 0.000 0.217 1016 A C 2.111 179.745 177.584 0.083 0.000 1.175 1016 A CA 1.406 53.245 52.037 -0.330 0.000 0.627 1016 A CB -0.826 17.681 19.000 -0.822 0.000 0.815 1016 A HN 0.481 nan 8.150 nan 0.000 0.443 1017 Y N 0.683 120.819 120.300 -0.274 0.000 2.114 1017 Y HA -0.135 4.432 4.550 0.027 0.000 0.284 1017 Y C 1.941 177.731 175.900 -0.182 0.000 1.143 1017 Y CA 1.712 59.638 58.100 -0.291 0.000 1.135 1017 Y CB -0.484 37.579 38.460 -0.662 0.000 0.980 1017 Y HN 0.207 nan 8.280 nan 0.000 0.499 1018 L N -0.381 120.660 121.223 -0.304 0.000 2.083 1018 L HA -0.202 4.154 4.340 0.027 0.000 0.209 1018 L C 2.759 179.286 176.870 -0.572 0.000 1.083 1018 L CA 1.071 55.634 54.840 -0.461 0.000 0.752 1018 L CB -1.040 40.837 42.059 -0.302 0.000 0.899 1018 L HN 0.304 nan 8.230 nan 0.000 0.433 1019 A N 0.416 123.095 122.820 -0.234 0.000 1.908 1019 A HA -0.185 4.151 4.320 0.027 0.000 0.218 1019 A C 2.253 179.851 177.584 0.022 0.000 1.181 1019 A CA 1.538 53.577 52.037 0.004 0.000 0.627 1019 A CB -0.711 18.452 19.000 0.271 0.000 0.818 1019 A HN 0.372 nan 8.150 nan 0.000 0.445 1020 L N -1.275 119.935 121.223 -0.022 0.000 2.093 1020 L HA -0.169 4.187 4.340 0.027 0.000 0.208 1020 L C 2.776 179.579 176.870 -0.113 0.000 1.085 1020 L CA 1.393 56.174 54.840 -0.099 0.000 0.755 1020 L CB -0.545 41.457 42.059 -0.095 0.000 0.904 1020 L HN 0.374 nan 8.230 nan 0.000 0.435 1021 R N -0.780 119.551 120.500 -0.282 0.000 2.189 1021 R HA -0.127 4.230 4.340 0.027 0.000 0.223 1021 R C 2.004 178.216 176.300 -0.147 0.000 1.092 1021 R CA 0.911 56.837 56.100 -0.288 0.000 0.989 1021 R CB -0.412 29.615 30.300 -0.456 0.000 0.876 1021 R HN 0.529 nan 8.270 nan 0.000 0.457 1022 H N -1.324 117.713 119.070 -0.054 0.000 2.489 1022 H HA -0.076 4.496 4.556 0.026 0.000 0.293 1022 H C 0.474 175.642 175.328 -0.267 0.000 1.066 1022 H CA 0.748 56.725 56.048 -0.117 0.000 1.305 1022 H CB 0.133 29.852 29.762 -0.072 0.000 1.386 1022 H HN 0.300 nan 8.280 nan 0.000 0.551 1023 H N -1.365 117.706 119.070 0.001 0.000 2.481 1023 H HA 0.141 4.713 4.556 0.028 0.000 0.273 1023 H C 1.271 176.562 175.328 -0.061 0.000 1.145 1023 H CA -0.183 55.845 56.048 -0.034 0.000 0.964 1023 H CB 0.472 30.201 29.762 -0.055 0.000 1.722 1023 H HN 0.124 nan 8.280 nan 0.000 0.573 1024 T N 0.588 115.141 114.554 -0.002 0.000 2.565 1024 T HA -0.247 4.119 4.350 0.027 0.000 0.265 1024 T C 1.882 176.570 174.700 -0.019 0.000 1.082 1024 T CA 1.971 64.048 62.100 -0.038 0.000 1.173 1024 T CB -0.080 68.749 68.868 -0.065 0.000 0.864 1024 T HN 0.492 nan 8.240 nan 0.000 0.425 1025 N N 1.144 119.835 118.700 -0.014 0.000 2.094 1025 N HA -0.046 4.710 4.740 0.027 0.000 0.191 1025 N C 1.803 177.320 175.510 0.012 0.000 1.023 1025 N CA 0.709 53.757 53.050 -0.003 0.000 0.857 1025 N CB -0.768 37.716 38.487 -0.005 0.000 1.013 1025 N HN 0.299 nan 8.380 nan 0.000 0.426 1026 L N 0.528 121.768 121.223 0.028 0.000 1.989 1026 L HA -0.139 4.217 4.340 0.027 0.000 0.211 1026 L C 1.945 178.838 176.870 0.039 0.000 1.071 1026 L CA 1.307 56.171 54.840 0.040 0.000 0.749 1026 L CB -0.320 41.789 42.059 0.083 0.000 0.890 1026 L HN 0.168 nan 8.230 nan 0.000 0.431 1027 L N -0.460 120.777 121.223 0.023 0.000 2.017 1027 L HA -0.274 4.082 4.340 0.027 0.000 0.208 1027 L C 2.542 179.442 176.870 0.051 0.000 1.073 1027 L CA 1.256 56.104 54.840 0.013 0.000 0.745 1027 L CB -0.434 41.603 42.059 -0.036 0.000 0.894 1027 L HN 0.263 nan 8.230 nan 0.000 0.432 1028 I N -0.423 120.160 120.570 0.021 0.000 2.194 1028 I HA -0.344 3.842 4.170 0.027 0.000 0.246 1028 I C 2.440 178.616 176.117 0.099 0.000 1.093 1028 I CA 1.310 62.634 61.300 0.040 0.000 1.355 1028 I CB -0.186 37.814 38.000 -0.000 0.000 1.046 1028 I HN 0.274 nan 8.210 nan 0.000 0.413 1029 I N 0.474 121.081 120.570 0.061 0.000 2.617 1029 I HA -0.151 4.035 4.170 0.027 0.000 0.256 1029 I C 2.259 178.410 176.117 0.056 0.000 1.167 1029 I CA 1.404 62.731 61.300 0.045 0.000 1.469 1029 I CB -0.384 37.627 38.000 0.019 0.000 1.098 1029 I HN 0.192 nan 8.210 nan 0.000 0.436 1030 L N -1.168 120.100 121.223 0.075 0.000 2.156 1030 L HA -0.193 4.163 4.340 0.027 0.000 0.208 1030 L C 2.436 179.349 176.870 0.071 0.000 1.095 1030 L CA 0.879 55.759 54.840 0.066 0.000 0.770 1030 L CB -0.643 41.456 42.059 0.066 0.000 0.914 1030 L HN 0.109 nan 8.230 nan 0.000 0.439 1031 F N 1.283 121.214 119.950 -0.031 0.000 2.060 1031 F HA -0.271 4.272 4.527 0.027 0.000 0.295 1031 F C 2.896 178.675 175.800 -0.034 0.000 1.120 1031 F CA 1.782 59.762 58.000 -0.033 0.000 1.205 1031 F CB -0.336 38.655 39.000 -0.015 0.000 0.986 1031 F HN 0.112 nan 8.300 nan 0.000 0.470 1032 S N 0.583 116.344 115.700 0.102 0.000 2.370 1032 S HA -0.296 4.190 4.470 0.027 0.000 0.226 1032 S C 2.111 176.657 174.600 -0.091 0.000 1.033 1032 S CA 1.649 59.828 58.200 -0.035 0.000 1.011 1032 S CB -0.907 62.284 63.200 -0.015 0.000 0.852 1032 S HN 0.530 nan 8.310 nan 0.000 0.457 1033 M N 0.819 120.401 119.600 -0.030 0.000 2.067 1033 M HA -0.076 4.420 4.480 0.027 0.000 0.260 1033 M C 2.582 178.869 176.300 -0.022 0.000 1.069 1033 M CA 2.159 57.486 55.300 0.046 0.000 1.117 1033 M CB -0.535 32.121 32.600 0.093 0.000 1.334 1033 M HN 0.465 nan 8.290 nan 0.000 0.407 1034 M N 0.796 120.332 119.600 -0.106 0.000 2.113 1034 M HA -0.298 4.198 4.480 0.027 0.000 0.255 1034 M C 1.907 178.081 176.300 -0.210 0.000 1.073 1034 M CA 1.959 57.153 55.300 -0.177 0.000 1.091 1034 M CB -0.270 32.188 32.600 -0.237 0.000 1.309 1034 M HN 0.268 nan 8.290 nan 0.000 0.407 1035 L N -0.551 120.500 121.223 -0.285 0.000 2.093 1035 L HA -0.207 4.149 4.340 0.027 0.000 0.208 1035 L C 2.530 179.326 176.870 -0.123 0.000 1.085 1035 L CA 1.263 55.952 54.840 -0.252 0.000 0.755 1035 L CB -0.601 41.263 42.059 -0.325 0.000 0.904 1035 L HN 0.486 nan 8.230 nan 0.000 0.435 1036 M N -0.854 118.710 119.600 -0.059 0.000 2.419 1036 M HA -0.077 4.419 4.480 0.027 0.000 0.264 1036 M C 1.884 178.180 176.300 -0.008 0.000 1.082 1036 M CA 1.720 57.040 55.300 0.034 0.000 1.119 1036 M CB -0.229 32.471 32.600 0.168 0.000 1.398 1036 M HN 0.401 nan 8.290 nan 0.000 0.453 1037 T N -5.065 109.444 114.554 -0.074 0.000 3.003 1037 T HA 0.297 4.663 4.350 0.027 0.000 0.261 1037 T C 1.323 175.929 174.700 -0.157 0.000 1.003 1037 T CA 0.448 62.450 62.100 -0.165 0.000 0.917 1037 T CB 0.491 69.214 68.868 -0.241 0.000 1.084 1037 T HN 0.334 nan 8.240 nan 0.000 0.522 1038 G N 0.713 109.430 108.800 -0.139 0.000 2.649 1038 G HA2 0.412 4.388 3.960 0.027 0.000 0.199 1038 G HA3 0.412 4.388 3.960 0.027 0.000 0.199 1038 G C 0.073 174.902 174.900 -0.118 0.000 1.085 1038 G CA -0.323 44.694 45.100 -0.138 0.000 0.804 1038 G HN 0.293 nan 8.290 nan 0.000 0.671 1039 M N 1.811 121.339 119.600 -0.121 0.000 2.277 1039 M HA 0.367 4.863 4.480 0.027 0.000 0.350 1039 M C -1.180 175.073 176.300 -0.077 0.000 1.180 1039 M CA -3.099 52.138 55.300 -0.106 0.000 1.103 1039 M CB 1.984 34.505 32.600 -0.131 0.000 1.577 1039 M HN -0.137 nan 8.290 nan 0.000 0.459 1040 P HA -0.170 nan 4.420 nan 0.000 0.208 1040 P C -0.448 176.831 177.300 -0.034 0.000 1.195 1040 P CA 1.213 64.290 63.100 -0.040 0.000 0.927 1040 P CB -0.372 31.314 31.700 -0.024 0.000 0.778 1041 Q N 0.235 120.019 119.800 -0.026 0.000 2.352 1041 Q HA 0.050 4.406 4.340 0.027 0.000 0.326 1041 Q C -0.286 175.704 176.000 -0.017 0.000 1.135 1041 Q CA 0.199 55.992 55.803 -0.015 0.000 1.000 1041 Q CB -0.935 27.798 28.738 -0.008 0.000 1.237 1041 Q HN 0.049 nan 8.270 nan 0.000 0.409 1042 L N 2.702 123.918 121.223 -0.012 0.000 2.536 1042 L HA 0.140 4.496 4.340 0.027 0.000 0.282 1042 L C 0.135 177.019 176.870 0.023 0.000 1.147 1042 L CA 0.424 55.259 54.840 -0.008 0.000 0.936 1042 L CB -0.880 41.162 42.059 -0.029 0.000 1.279 1042 L HN 0.795 nan 8.230 nan 0.000 0.461 1043 T N -0.214 114.370 114.554 0.050 0.000 2.916 1043 T HA 0.369 4.735 4.350 0.027 0.000 0.303 1043 T C 0.673 175.472 174.700 0.166 0.000 1.025 1043 T CA -0.703 61.446 62.100 0.081 0.000 1.142 1043 T CB 0.698 69.598 68.868 0.053 0.000 0.947 1043 T HN 0.592 nan 8.240 nan 0.000 0.544 1044 S N 1.359 117.147 115.700 0.147 0.000 2.738 1044 S HA 0.636 5.123 4.470 0.027 0.000 0.284 1044 S C 1.774 176.534 174.600 0.266 0.000 1.146 1044 S CA -0.459 57.854 58.200 0.188 0.000 0.997 1044 S CB 0.713 63.973 63.200 0.101 0.000 1.081 1044 S HN 1.002 nan 8.310 nan 0.000 0.553 1045 K N 0.199 120.774 120.400 0.292 0.000 2.211 1045 K HA -0.092 4.244 4.320 0.027 0.000 0.204 1045 K C 1.717 178.414 176.600 0.162 0.000 1.047 1045 K CA 2.129 58.569 56.287 0.254 0.000 0.935 1045 K CB -1.393 31.250 32.500 0.238 0.000 0.728 1045 K HN 0.804 nan 8.250 nan 0.000 0.452 1046 E N 0.976 121.263 120.200 0.145 0.000 2.072 1046 E HA -0.040 4.326 4.350 0.027 0.000 0.190 1046 E C 1.937 178.636 176.600 0.165 0.000 0.982 1046 E CA 1.268 57.748 56.400 0.133 0.000 0.803 1046 E CB -0.126 29.641 29.700 0.112 0.000 0.755 1046 E HN 0.724 nan 8.360 nan 0.000 0.453 1047 D N 0.477 120.972 120.400 0.159 0.000 2.116 1047 D HA -0.184 4.472 4.640 0.027 0.000 0.193 1047 D C 1.772 178.256 176.300 0.306 0.000 0.998 1047 D CA 1.186 55.292 54.000 0.177 0.000 0.836 1047 D CB -0.202 40.661 40.800 0.106 0.000 0.951 1047 D HN 0.201 nan 8.370 nan 0.000 0.449 1048 I N 0.207 120.942 120.570 0.275 0.000 2.439 1048 I HA -0.146 4.040 4.170 0.027 0.000 0.251 1048 I C 1.954 178.234 176.117 0.271 0.000 1.139 1048 I CA 0.813 62.348 61.300 0.391 0.000 1.438 1048 I CB -0.235 37.871 38.000 0.177 0.000 1.085 1048 I HN -0.106 nan 8.210 nan 0.000 0.427 1049 E N 0.335 120.637 120.200 0.170 0.000 2.455 1049 E HA -0.252 4.114 4.350 0.027 0.000 0.202 1049 E C 1.781 178.418 176.600 0.060 0.000 1.045 1049 E CA 0.700 57.154 56.400 0.089 0.000 0.872 1049 E CB -0.258 29.490 29.700 0.080 0.000 0.792 1049 E HN 0.546 nan 8.360 nan 0.000 0.542 1050 Y N -0.121 120.173 120.300 -0.011 0.000 2.200 1050 Y HA -0.216 4.350 4.550 0.027 0.000 0.290 1050 Y C 1.957 177.705 175.900 -0.253 0.000 1.137 1050 Y CA 1.336 59.386 58.100 -0.084 0.000 1.163 1050 Y CB -0.107 38.342 38.460 -0.018 0.000 0.988 1050 Y HN 0.126 nan 8.280 nan 0.000 0.518 1051 I N 0.766 121.132 120.570 -0.340 0.000 2.286 1051 I HA -0.246 3.941 4.170 0.027 0.000 0.248 1051 I C 2.493 178.397 176.117 -0.355 0.000 1.115 1051 I CA 1.365 62.331 61.300 -0.557 0.000 1.392 1051 I CB -0.573 36.931 38.000 -0.827 0.000 1.065 1051 I HN 0.161 nan 8.210 nan 0.000 0.418 1052 R N 0.472 120.832 120.500 -0.234 0.000 2.082 1052 R HA -0.195 4.161 4.340 0.027 0.000 0.234 1052 R C 2.036 178.215 176.300 -0.203 0.000 1.136 1052 R CA 2.225 58.225 56.100 -0.167 0.000 0.935 1052 R CB -0.416 29.825 30.300 -0.100 0.000 0.842 1052 R HN 0.446 nan 8.270 nan 0.000 0.430 1053 D N -0.115 120.138 120.400 -0.244 0.000 2.097 1053 D HA -0.141 4.515 4.640 0.027 0.000 0.195 1053 D C 1.747 177.868 176.300 -0.299 0.000 0.989 1053 D CA 1.499 55.347 54.000 -0.253 0.000 0.827 1053 D CB -0.296 40.373 40.800 -0.218 0.000 0.966 1053 D HN 0.326 nan 8.370 nan 0.000 0.456 1054 A N 0.660 123.184 122.820 -0.494 0.000 2.024 1054 A HA -0.098 4.238 4.320 0.027 0.000 0.220 1054 A C 2.169 179.755 177.584 0.003 0.000 1.164 1054 A CA 0.833 52.601 52.037 -0.448 0.000 0.643 1054 A CB -0.561 17.874 19.000 -0.941 0.000 0.806 1054 A HN 0.212 nan 8.150 nan 0.000 0.451 1055 L N 0.342 121.513 121.223 -0.088 0.000 2.653 1055 L HA 0.040 4.396 4.340 0.027 0.000 0.231 1055 L C 0.848 177.676 176.870 -0.070 0.000 1.153 1055 L CA 0.571 55.398 54.840 -0.022 0.000 0.933 1055 L CB -0.333 41.655 42.059 -0.119 0.000 1.175 1055 L HN 0.601 nan 8.230 nan 0.000 0.473 1056 T N -2.713 111.774 114.554 -0.112 0.000 3.639 1056 T HA -0.191 4.175 4.350 0.027 0.000 0.386 1056 T C 0.261 174.878 174.700 -0.137 0.000 0.764 1056 T CA -0.115 61.870 62.100 -0.192 0.000 1.954 1056 T CB -2.964 65.807 68.868 -0.162 0.000 1.755 1056 T HN -0.004 nan 8.240 nan 0.000 0.715 1057 V N 1.512 121.349 119.914 -0.128 0.000 2.720 1057 V HA 0.385 4.521 4.120 0.027 0.000 0.307 1057 V C 2.078 178.124 176.094 -0.081 0.000 1.071 1057 V CA 1.698 63.939 62.300 -0.098 0.000 1.199 1057 V CB 0.177 31.948 31.823 -0.087 0.000 0.900 1057 V HN 1.555 nan 8.190 nan 0.000 0.494 1058 G N 2.571 111.333 108.800 -0.064 0.000 3.079 1058 G HA2 -0.233 3.743 3.960 0.027 0.000 0.214 1058 G HA3 -0.233 3.743 3.960 0.027 0.000 0.214 1058 G C 0.667 175.541 174.900 -0.042 0.000 1.335 1058 G CA 0.576 45.647 45.100 -0.048 0.000 0.822 1058 G HN 1.243 nan 8.290 nan 0.000 0.545 1059 K N 0.786 121.157 120.400 -0.049 0.000 2.455 1059 K HA 0.515 4.851 4.320 0.027 0.000 0.269 1059 K C 0.426 177.011 176.600 -0.024 0.000 0.972 1059 K CA 0.865 57.132 56.287 -0.032 0.000 0.938 1059 K CB -0.138 32.340 32.500 -0.036 0.000 0.931 1059 K HN 1.205 nan 8.250 nan 0.000 0.507 1060 N N -0.059 118.638 118.700 -0.005 0.000 2.379 1060 N HA 0.037 4.793 4.740 0.027 0.000 0.260 1060 N C 0.787 176.301 175.510 0.007 0.000 1.254 1060 N CA 0.131 53.181 53.050 -0.001 0.000 0.958 1060 N CB 0.790 39.282 38.487 0.008 0.000 1.208 1060 N HN 0.640 nan 8.380 nan 0.000 0.532 1061 E N -0.463 119.741 120.200 0.006 0.000 2.409 1061 E HA -0.169 4.197 4.350 0.027 0.000 0.198 1061 E C 0.455 177.078 176.600 0.038 0.000 1.024 1061 E CA 0.735 57.139 56.400 0.007 0.000 0.861 1061 E CB 0.159 29.862 29.700 0.006 0.000 0.788 1061 E HN 0.556 nan 8.360 nan 0.000 0.521 1062 E N 0.800 121.026 120.200 0.043 0.000 2.057 1062 E HA -0.095 4.271 4.350 0.027 0.000 0.190 1062 E C 1.532 178.181 176.600 0.081 0.000 0.969 1062 E CA 0.805 57.239 56.400 0.056 0.000 0.812 1062 E CB 0.133 29.859 29.700 0.044 0.000 0.777 1062 E HN 0.144 nan 8.360 nan 0.000 0.455 1063 D N 0.367 120.811 120.400 0.074 0.000 2.182 1063 D HA -0.168 4.489 4.640 0.027 0.000 0.201 1063 D C 1.646 178.040 176.300 0.156 0.000 0.986 1063 D CA 1.207 55.265 54.000 0.096 0.000 0.847 1063 D CB -0.080 40.757 40.800 0.062 0.000 0.942 1063 D HN 0.221 nan 8.370 nan 0.000 0.467 1064 A N 1.529 124.440 122.820 0.151 0.000 1.855 1064 A HA -0.136 4.200 4.320 0.027 0.000 0.215 1064 A C 2.449 180.259 177.584 0.376 0.000 1.191 1064 A CA 2.678 54.874 52.037 0.266 0.000 0.613 1064 A CB -0.900 18.189 19.000 0.148 0.000 0.829 1064 A HN 0.299 nan 8.150 nan 0.000 0.442 1065 K N -0.642 119.905 120.400 0.244 0.000 2.103 1065 K HA -0.158 4.179 4.320 0.027 0.000 0.207 1065 K C 2.355 179.078 176.600 0.205 0.000 1.048 1065 K CA 2.758 59.175 56.287 0.217 0.000 0.930 1065 K CB -1.615 30.959 32.500 0.123 0.000 0.716 1065 K HN 0.786 nan 8.250 nan 0.000 0.444 1066 K N -0.105 120.404 120.400 0.182 0.000 2.002 1066 K HA -0.131 4.205 4.320 0.027 0.000 0.209 1066 K C 2.129 178.832 176.600 0.171 0.000 1.048 1066 K CA 1.785 58.161 56.287 0.149 0.000 0.930 1066 K CB -1.302 31.277 32.500 0.132 0.000 0.714 1066 K HN 0.691 nan 8.250 nan 0.000 0.438 1067 Y N -0.697 119.671 120.300 0.113 0.000 2.102 1067 Y HA -0.253 4.314 4.550 0.029 0.000 0.280 1067 Y C 2.209 178.129 175.900 0.033 0.000 1.178 1067 Y CA 2.533 60.694 58.100 0.101 0.000 1.146 1067 Y CB -0.240 38.326 38.460 0.177 0.000 0.968 1067 Y HN 0.312 nan 8.280 nan 0.000 0.504 1068 F N -0.072 119.812 119.950 -0.110 0.000 2.128 1068 F HA -0.142 4.400 4.527 0.026 0.000 0.295 1068 F C 1.945 177.595 175.800 -0.250 0.000 1.100 1068 F CA 1.420 59.189 58.000 -0.386 0.000 1.260 1068 F CB -0.437 38.277 39.000 -0.476 0.000 1.009 1068 F HN -0.021 nan 8.300 nan 0.000 0.476 1069 L N -0.192 121.041 121.223 0.017 0.000 2.191 1069 L HA -0.222 4.134 4.340 0.027 0.000 0.212 1069 L C 1.952 178.769 176.870 -0.088 0.000 1.103 1069 L CA 1.041 55.877 54.840 -0.006 0.000 0.769 1069 L CB -0.777 41.321 42.059 0.066 0.000 0.908 1069 L HN 0.086 nan 8.230 nan 0.000 0.438 1070 D N -0.401 119.919 120.400 -0.133 0.000 2.084 1070 D HA -0.182 4.474 4.640 0.027 0.000 0.194 1070 D C 2.346 178.479 176.300 -0.278 0.000 0.990 1070 D CA 0.996 54.896 54.000 -0.166 0.000 0.826 1070 D CB -0.177 40.527 40.800 -0.159 0.000 0.971 1070 D HN 0.237 nan 8.370 nan 0.000 0.453 1071 Q N 0.358 119.868 119.800 -0.482 0.000 2.077 1071 Q HA -0.120 4.236 4.340 0.027 0.000 0.206 1071 Q C 2.624 178.334 176.000 -0.482 0.000 0.989 1071 Q CA 0.693 56.141 55.803 -0.592 0.000 0.853 1071 Q CB -0.539 27.623 28.738 -0.961 0.000 0.907 1071 Q HN 0.450 nan 8.270 nan 0.000 0.418 1072 I N 1.056 121.423 120.570 -0.339 0.000 2.248 1072 I HA -0.264 3.922 4.170 0.027 0.000 0.248 1072 I C 2.124 178.196 176.117 -0.075 0.000 1.107 1072 I CA 1.153 62.407 61.300 -0.077 0.000 1.373 1072 I CB -0.218 37.853 38.000 0.119 0.000 1.055 1072 I HN 0.174 nan 8.210 nan 0.000 0.418 1073 E N 0.373 120.521 120.200 -0.087 0.000 2.107 1073 E HA -0.104 4.262 4.350 0.027 0.000 0.191 1073 E C 2.435 178.961 176.600 -0.122 0.000 0.982 1073 E CA 0.827 57.192 56.400 -0.058 0.000 0.809 1073 E CB -0.388 29.292 29.700 -0.033 0.000 0.756 1073 E HN 0.296 nan 8.360 nan 0.000 0.459 1074 V N 1.132 120.937 119.914 -0.181 0.000 2.324 1074 V HA -0.349 3.787 4.120 0.027 0.000 0.250 1074 V C 2.537 178.504 176.094 -0.211 0.000 1.060 1074 V CA 1.889 64.077 62.300 -0.187 0.000 1.042 1074 V CB -0.719 30.972 31.823 -0.220 0.000 0.650 1074 V HN 0.306 nan 8.190 nan 0.000 0.450 1075 C N -0.571 118.552 119.300 -0.296 0.000 2.429 1075 C HA -0.110 4.366 4.460 0.027 0.000 0.277 1075 C C 2.856 177.715 174.990 -0.219 0.000 1.262 1075 C CA 0.638 59.472 59.018 -0.306 0.000 1.733 1075 C CB -1.211 26.269 27.740 -0.433 0.000 2.010 1075 C HN 0.484 nan 8.230 nan 0.000 0.483 1076 R N 0.981 121.383 120.500 -0.163 0.000 2.096 1076 R HA -0.112 4.244 4.340 0.027 0.000 0.235 1076 R C 1.463 177.681 176.300 -0.137 0.000 1.127 1076 R CA 1.407 57.422 56.100 -0.141 0.000 0.968 1076 R CB -0.572 29.673 30.300 -0.093 0.000 0.861 1076 R HN 0.591 nan 8.270 nan 0.000 0.440 1077 D N 0.338 120.668 120.400 -0.117 0.000 2.269 1077 D HA -0.080 4.576 4.640 0.027 0.000 0.208 1077 D C 1.561 177.805 176.300 -0.093 0.000 0.963 1077 D CA 0.903 54.848 54.000 -0.092 0.000 0.864 1077 D CB 0.103 40.857 40.800 -0.076 0.000 0.936 1077 D HN 0.060 nan 8.370 nan 0.000 0.505 1078 K N 0.222 120.550 120.400 -0.119 0.000 2.314 1078 K HA 0.134 4.470 4.320 0.027 0.000 0.198 1078 K C 1.602 178.129 176.600 -0.122 0.000 1.045 1078 K CA 0.624 56.849 56.287 -0.104 0.000 0.988 1078 K CB 0.110 32.542 32.500 -0.112 0.000 0.783 1078 K HN 0.143 nan 8.250 nan 0.000 0.484 1079 G N 1.416 110.095 108.800 -0.202 0.000 2.660 1079 G HA2 -0.328 3.648 3.960 0.027 0.000 0.321 1079 G HA3 -0.328 3.648 3.960 0.027 0.000 0.321 1079 G C 0.451 175.115 174.900 -0.394 0.000 1.246 1079 G CA 0.653 45.563 45.100 -0.315 0.000 1.000 1079 G HN 0.460 nan 8.290 nan 0.000 0.550 1080 W N 1.579 122.823 121.300 -0.094 0.000 3.290 1080 W HA 0.364 5.040 4.660 0.027 0.000 0.287 1080 W C 2.668 179.181 176.519 -0.010 0.000 1.288 1080 W CA 0.536 57.812 57.345 -0.115 0.000 1.725 1080 W CB -0.087 29.340 29.460 -0.056 0.000 1.103 1080 W HN 0.504 nan 8.180 nan 0.000 0.670 1081 T N 0.730 115.376 114.554 0.152 0.000 2.597 1081 T HA -0.269 4.097 4.350 0.027 0.000 0.267 1081 T C 1.872 176.677 174.700 0.175 0.000 1.053 1081 T CA 2.015 64.213 62.100 0.164 0.000 1.165 1081 T CB -0.728 68.178 68.868 0.063 0.000 0.863 1081 T HN -0.057 nan 8.240 nan 0.000 0.427 1082 V N 1.476 121.432 119.914 0.069 0.000 2.358 1082 V HA -0.152 3.984 4.120 0.027 0.000 0.246 1082 V C 2.811 178.938 176.094 0.054 0.000 1.047 1082 V CA 1.438 63.731 62.300 -0.013 0.000 1.035 1082 V CB -0.641 31.197 31.823 0.025 0.000 0.658 1082 V HN 0.395 nan 8.190 nan 0.000 0.452 1083 Q N -0.521 119.417 119.800 0.230 0.000 2.061 1083 Q HA -0.234 4.122 4.340 0.027 0.000 0.204 1083 Q C 2.145 178.475 176.000 0.549 0.000 0.984 1083 Q CA 2.156 58.188 55.803 0.381 0.000 0.846 1083 Q CB -0.792 27.912 28.738 -0.058 0.000 0.902 1083 Q HN 0.700 nan 8.270 nan 0.000 0.421 1084 F N 2.164 122.339 119.950 0.376 0.000 2.171 1084 F HA -0.199 4.344 4.527 0.027 0.000 0.300 1084 F C 1.545 177.471 175.800 0.211 0.000 1.090 1084 F CA 1.376 59.633 58.000 0.428 0.000 1.293 1084 F CB -0.272 38.896 39.000 0.280 0.000 1.013 1084 F HN 0.062 nan 8.300 nan 0.000 0.486 1085 N N 0.009 118.597 118.700 -0.186 0.000 2.120 1085 N HA -0.205 4.551 4.740 0.027 0.000 0.188 1085 N C 1.487 176.733 175.510 -0.440 0.000 1.024 1085 N CA 2.035 54.744 53.050 -0.567 0.000 0.852 1085 N CB -0.780 37.497 38.487 -0.349 0.000 1.003 1085 N HN 0.506 nan 8.380 nan 0.000 0.424 1086 W N -0.005 121.300 121.300 0.008 0.000 2.325 1086 W HA -0.117 4.559 4.660 0.026 0.000 0.299 1086 W C 1.611 178.030 176.519 -0.167 0.000 1.215 1086 W CA 0.302 57.615 57.345 -0.053 0.000 1.244 1086 W CB -0.613 28.746 29.460 -0.168 0.000 1.140 1086 W HN 0.008 nan 8.180 nan 0.000 0.523 1087 F N -0.334 119.605 119.950 -0.018 0.000 2.022 1087 F HA -0.186 4.357 4.527 0.027 0.000 0.293 1087 F C 2.534 178.177 175.800 -0.261 0.000 1.142 1087 F CA 1.646 59.573 58.000 -0.121 0.000 1.177 1087 F CB -1.509 37.411 39.000 -0.134 0.000 0.982 1087 F HN -0.277 nan 8.300 nan 0.000 0.473 1088 L N -0.277 120.743 121.223 -0.339 0.000 2.058 1088 L HA -0.391 3.965 4.340 0.027 0.000 0.226 1088 L C 2.726 179.412 176.870 -0.305 0.000 1.089 1088 L CA 1.922 56.469 54.840 -0.488 0.000 0.799 1088 L CB -0.624 40.880 42.059 -0.924 0.000 0.900 1088 L HN 0.291 nan 8.230 nan 0.000 0.442 1089 H N -0.334 118.652 119.070 -0.140 0.000 2.363 1089 H HA 0.005 4.577 4.556 0.027 0.000 0.301 1089 H C 1.494 176.790 175.328 -0.054 0.000 1.074 1089 H CA 0.704 56.697 56.048 -0.091 0.000 1.354 1089 H CB -0.547 29.153 29.762 -0.103 0.000 1.397 1089 H HN 0.331 nan 8.280 nan 0.000 0.516 1090 L N 0.000 121.254 121.223 0.052 0.000 2.949 1090 L HA 0.000 4.356 4.340 0.027 0.000 0.249 1090 L CA 0.000 54.840 54.840 0.000 0.000 0.813 1090 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 1090 L HN 0.000 nan 8.230 nan 0.000 0.502