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 3dpd_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM XXXXXXXXXX XXXXXXDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXV SLWDCDRKFR VKIRGIDIPV LXXXXXLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCGXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXRLLY YVNLLLIDHR FLLRRGEYVL HMWQISXXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN YCHPIALPKH XXXXXXXXXX DATA SEQUENCE XXXEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGXXXXXX XXXXXXNKER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLVL DATA SEQUENCE GI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 143 M HA 0.000 nan 4.480 nan 0.000 0.227 143 M C 0.000 176.308 176.300 0.014 0.000 1.140 143 M CA 0.000 55.310 55.300 0.016 0.000 0.988 143 M CB 0.000 32.610 32.600 0.017 0.000 1.302 144 S N -0.964 114.742 115.700 0.011 0.000 2.579 144 S HA 0.389 4.858 4.470 -0.002 0.000 0.275 144 S C 0.963 175.572 174.600 0.015 0.000 1.345 144 S CA 0.322 58.527 58.200 0.008 0.000 1.031 144 S CB 1.130 64.329 63.200 -0.001 0.000 0.892 144 S HN 0.768 nan 8.310 nan 0.000 0.529 145 E N 0.916 121.123 120.200 0.012 0.000 2.171 145 E HA -0.237 4.112 4.350 -0.002 0.000 0.197 145 E C 1.816 178.431 176.600 0.024 0.000 0.997 145 E CA 1.366 57.776 56.400 0.016 0.000 0.810 145 E CB -0.148 29.558 29.700 0.011 0.000 0.738 145 E HN 0.893 nan 8.360 nan 0.000 0.467 146 E N 0.017 120.228 120.200 0.018 0.000 2.072 146 E HA -0.117 4.232 4.350 -0.002 0.000 0.191 146 E C 1.958 178.586 176.600 0.046 0.000 0.985 146 E CA 1.008 57.421 56.400 0.021 0.000 0.801 146 E CB -0.135 29.562 29.700 -0.006 0.000 0.750 146 E HN 0.032 nan 8.360 nan 0.000 0.452 147 S N -0.206 115.519 115.700 0.042 0.000 2.481 147 S HA -0.066 4.403 4.470 -0.002 0.000 0.231 147 S C 1.785 176.458 174.600 0.122 0.000 0.996 147 S CA 0.716 58.965 58.200 0.082 0.000 0.942 147 S CB -0.010 63.219 63.200 0.049 0.000 0.768 147 S HN 0.287 nan 8.310 nan 0.000 0.520 148 Q N -0.407 119.440 119.800 0.078 0.000 2.389 148 Q HA 0.253 4.592 4.340 -0.002 0.000 0.204 148 Q C 2.078 178.117 176.000 0.065 0.000 0.944 148 Q CA 0.866 56.705 55.803 0.061 0.000 0.908 148 Q CB -0.024 28.735 28.738 0.035 0.000 1.002 148 Q HN 0.628 nan 8.270 nan 0.000 0.493 149 A N -0.302 122.571 122.820 0.088 0.000 1.984 149 A HA -0.059 4.260 4.320 -0.002 0.000 0.214 149 A C 1.626 179.289 177.584 0.132 0.000 1.173 149 A CA 0.143 52.230 52.037 0.084 0.000 0.673 149 A CB -0.388 18.656 19.000 0.075 0.000 0.830 149 A HN 0.430 nan 8.150 nan 0.000 0.453 150 F N 1.140 121.092 119.950 0.003 0.000 2.095 150 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 150 F C 2.279 178.085 175.800 0.010 0.000 1.104 150 F CA 2.300 60.305 58.000 0.008 0.000 1.232 150 F CB -0.515 38.487 39.000 0.005 0.000 0.987 150 F HN 0.307 nan 8.300 nan 0.000 0.475 151 Q N 0.756 120.526 119.800 -0.049 0.000 2.124 151 Q HA -0.207 4.132 4.340 -0.002 0.000 0.202 151 Q C 2.440 178.360 176.000 -0.132 0.000 0.977 151 Q CA 1.835 57.545 55.803 -0.155 0.000 0.850 151 Q CB -0.535 28.179 28.738 -0.041 0.000 0.901 151 Q HN 0.478 nan 8.270 nan 0.000 0.429 152 R N -0.456 120.008 120.500 -0.061 0.000 2.115 152 R HA -0.158 4.181 4.340 -0.002 0.000 0.230 152 R C 2.170 178.434 176.300 -0.059 0.000 1.111 152 R CA 1.529 57.602 56.100 -0.046 0.000 0.976 152 R CB -0.075 30.219 30.300 -0.010 0.000 0.870 152 R HN 0.476 nan 8.270 nan 0.000 0.445 153 Q N 0.529 120.284 119.800 -0.075 0.000 1.969 153 Q HA -0.127 4.212 4.340 -0.002 0.000 0.198 153 Q C 2.270 178.196 176.000 -0.123 0.000 0.978 153 Q CA 1.389 57.152 55.803 -0.066 0.000 0.830 153 Q CB -0.091 28.638 28.738 -0.015 0.000 0.896 153 Q HN 0.366 nan 8.270 nan 0.000 0.431 154 L N 0.485 121.539 121.223 -0.282 0.000 2.034 154 L HA -0.265 4.074 4.340 -0.002 0.000 0.217 154 L C 2.475 179.269 176.870 -0.126 0.000 1.077 154 L CA 1.972 56.661 54.840 -0.253 0.000 0.769 154 L CB -1.268 40.545 42.059 -0.410 0.000 0.890 154 L HN 0.364 nan 8.230 nan 0.000 0.435 155 T N -0.181 114.299 114.554 -0.122 0.000 2.869 155 T HA -0.187 4.162 4.350 -0.002 0.000 0.270 155 T C 1.856 176.528 174.700 -0.047 0.000 1.082 155 T CA 1.334 63.384 62.100 -0.082 0.000 1.123 155 T CB -0.177 68.636 68.868 -0.092 0.000 0.856 155 T HN 0.527 nan 8.240 nan 0.000 0.499 156 A N 0.655 123.455 122.820 -0.035 0.000 1.943 156 A HA 0.286 4.605 4.320 -0.002 0.000 0.213 156 A C 2.131 179.727 177.584 0.019 0.000 1.181 156 A CA 0.472 52.508 52.037 -0.002 0.000 0.653 156 A CB -0.452 18.554 19.000 0.010 0.000 0.833 156 A HN 0.457 nan 8.150 nan 0.000 0.451 157 L N -0.460 120.779 121.223 0.026 0.000 2.465 157 L HA 0.015 4.354 4.340 -0.002 0.000 0.224 157 L C 1.887 178.774 176.870 0.029 0.000 1.145 157 L CA 0.572 55.468 54.840 0.093 0.000 0.834 157 L CB -0.134 42.000 42.059 0.126 0.000 0.944 157 L HN 0.411 nan 8.230 nan 0.000 0.451 158 I N -1.622 118.920 120.570 -0.046 0.000 3.039 158 I HA 0.128 4.297 4.170 -0.002 0.000 0.270 158 I C 1.596 177.672 176.117 -0.068 0.000 1.150 158 I CA 0.790 62.022 61.300 -0.114 0.000 1.448 158 I CB 0.107 38.078 38.000 -0.048 0.000 1.197 158 I HN 0.260 nan 8.210 nan 0.000 0.450 159 G N 0.891 109.688 108.800 -0.004 0.000 2.132 159 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.234 159 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.234 159 G C -0.162 174.812 174.900 0.123 0.000 0.989 159 G CA 0.083 45.206 45.100 0.038 0.000 0.676 159 G HN 0.360 nan 8.290 nan 0.000 0.522 160 Y N -0.010 120.264 120.300 -0.043 0.000 2.474 160 Y HA 0.500 5.049 4.550 -0.002 0.000 0.326 160 Y C -1.547 174.329 175.900 -0.041 0.000 1.160 160 Y CA -1.125 56.956 58.100 -0.032 0.000 1.056 160 Y CB 1.830 40.275 38.460 -0.025 0.000 1.330 160 Y HN 0.102 nan 8.280 nan 0.000 0.447 161 D N 4.261 124.276 120.400 -0.642 0.000 2.380 161 D HA 0.203 4.842 4.640 -0.002 0.000 0.230 161 D C 0.704 176.733 176.300 -0.451 0.000 1.154 161 D CA -0.167 53.577 54.000 -0.426 0.000 0.859 161 D CB 1.185 41.783 40.800 -0.337 0.000 1.045 161 D HN 0.491 nan 8.370 nan 0.000 0.495 162 V N 2.217 122.047 119.914 -0.140 0.000 3.564 162 V HA 0.099 4.218 4.120 -0.002 0.000 0.283 162 V C 0.849 176.919 176.094 -0.041 0.000 1.227 162 V CA 1.050 63.348 62.300 -0.003 0.000 1.217 162 V CB -1.402 30.445 31.823 0.041 0.000 0.994 162 V HN 0.665 nan 8.190 nan 0.000 0.446 163 T N -3.162 111.332 114.554 -0.100 0.000 3.487 163 T HA 0.308 4.657 4.350 -0.002 0.000 0.287 163 T C -0.186 174.464 174.700 -0.085 0.000 1.004 163 T CA 0.174 62.234 62.100 -0.066 0.000 0.977 163 T CB -0.091 68.743 68.868 -0.056 0.000 1.180 163 T HN 0.465 nan 8.240 nan 0.000 0.490 164 D N 1.990 122.326 120.400 -0.108 0.000 2.514 164 D HA 0.221 4.860 4.640 -0.002 0.000 0.267 164 D C 1.115 177.389 176.300 -0.043 0.000 1.165 164 D CA -0.673 53.265 54.000 -0.103 0.000 0.958 164 D CB 0.742 41.428 40.800 -0.190 0.000 0.992 164 D HN 0.267 nan 8.370 nan 0.000 0.506 165 V N 1.196 121.095 119.914 -0.025 0.000 3.264 165 V HA 0.078 4.197 4.120 -0.002 0.000 0.343 165 V C 1.328 177.418 176.094 -0.006 0.000 1.235 165 V CA 0.671 62.968 62.300 -0.005 0.000 1.439 165 V CB -0.489 31.336 31.823 0.004 0.000 1.119 165 V HN 0.365 nan 8.190 nan 0.000 0.423 166 S N 1.175 116.866 115.700 -0.014 0.000 2.486 166 S HA 0.108 4.577 4.470 -0.002 0.000 0.220 166 S C 1.241 175.833 174.600 -0.013 0.000 1.011 166 S CA 0.593 58.782 58.200 -0.018 0.000 0.921 166 S CB -0.270 62.910 63.200 -0.035 0.000 0.785 166 S HN 0.727 nan 8.310 nan 0.000 0.517 167 N N 1.244 119.943 118.700 -0.001 0.000 2.660 167 N HA 0.274 5.013 4.740 -0.002 0.000 0.316 167 N C -1.005 174.502 175.510 -0.004 0.000 1.774 167 N CA -0.239 52.809 53.050 -0.004 0.000 0.946 167 N CB 1.154 39.636 38.487 -0.007 0.000 1.322 167 N HN 0.234 nan 8.380 nan 0.000 0.492 168 V N -1.176 118.733 119.914 -0.008 0.000 3.049 168 V HA 0.542 4.661 4.120 -0.002 0.000 0.309 168 V C 0.314 176.394 176.094 -0.024 0.000 1.148 168 V CA -0.807 61.447 62.300 -0.077 0.000 0.990 168 V CB 1.829 33.619 31.823 -0.056 0.000 1.039 168 V HN 0.411 nan 8.190 nan 0.000 0.430 169 H N 0.590 119.732 119.070 0.121 0.000 2.674 169 H HA 0.493 5.048 4.556 -0.001 0.000 0.274 169 H C -0.614 174.812 175.328 0.164 0.000 1.121 169 H CA 0.280 56.412 56.048 0.139 0.000 1.132 169 H CB 0.729 30.631 29.762 0.234 0.000 1.606 169 H HN 0.923 nan 8.280 nan 0.000 0.558 170 D N 0.715 121.166 120.400 0.086 0.000 2.809 170 D HA -0.062 4.577 4.640 -0.002 0.000 0.336 170 D C -0.935 175.433 176.300 0.113 0.000 1.367 170 D CA -0.465 53.644 54.000 0.181 0.000 0.815 170 D CB 0.461 41.464 40.800 0.338 0.000 1.381 170 D HN 0.099 nan 8.370 nan 0.000 0.471 171 D N -0.939 119.568 120.400 0.179 0.000 3.058 171 D HA 0.123 4.762 4.640 -0.002 0.000 0.272 171 D C 0.543 176.874 176.300 0.052 0.000 1.350 171 D CA -0.324 53.761 54.000 0.142 0.000 0.863 171 D CB 0.589 41.504 40.800 0.192 0.000 1.064 171 D HN 0.500 nan 8.370 nan 0.000 0.488 172 E N 0.191 120.298 120.200 -0.156 0.000 2.046 172 E HA -0.059 4.290 4.350 -0.002 0.000 0.190 172 E C 1.830 178.456 176.600 0.043 0.000 0.982 172 E CA 0.400 56.524 56.400 -0.461 0.000 0.800 172 E CB 0.202 29.726 29.700 -0.292 0.000 0.756 172 E HN 0.312 nan 8.360 nan 0.000 0.449 173 L N 0.831 122.093 121.223 0.065 0.000 1.989 173 L HA -0.222 4.117 4.340 -0.002 0.000 0.211 173 L C 2.660 179.551 176.870 0.034 0.000 1.071 173 L CA 1.428 56.254 54.840 -0.023 0.000 0.749 173 L CB -0.388 41.610 42.059 -0.103 0.000 0.890 173 L HN 0.125 nan 8.230 nan 0.000 0.431 174 E N 0.122 120.357 120.200 0.059 0.000 2.077 174 E HA -0.273 4.076 4.350 -0.002 0.000 0.193 174 E C 1.958 178.623 176.600 0.110 0.000 0.989 174 E CA 1.388 57.832 56.400 0.074 0.000 0.800 174 E CB -0.337 29.414 29.700 0.084 0.000 0.746 174 E HN 0.381 nan 8.360 nan 0.000 0.452 175 F N 0.369 120.326 119.950 0.010 0.000 2.171 175 F HA -0.161 4.365 4.527 -0.001 0.000 0.300 175 F C 2.041 177.865 175.800 0.041 0.000 1.090 175 F CA 1.866 59.893 58.000 0.045 0.000 1.293 175 F CB -0.492 38.553 39.000 0.075 0.000 1.013 175 F HN -0.024 nan 8.300 nan 0.000 0.486 176 T N 0.909 115.517 114.554 0.089 0.000 2.777 176 T HA -0.125 4.224 4.350 -0.002 0.000 0.266 176 T C 1.917 176.588 174.700 -0.048 0.000 1.040 176 T CA 1.578 63.692 62.100 0.024 0.000 1.141 176 T CB -0.200 68.756 68.868 0.146 0.000 0.868 176 T HN 0.291 nan 8.240 nan 0.000 0.444 177 R N 1.074 121.561 120.500 -0.023 0.000 2.081 177 R HA 0.035 4.374 4.340 -0.002 0.000 0.235 177 R C 2.646 178.913 176.300 -0.056 0.000 1.131 177 R CA 1.113 57.200 56.100 -0.021 0.000 0.960 177 R CB -0.238 30.060 30.300 -0.003 0.000 0.856 177 R HN 0.333 nan 8.270 nan 0.000 0.436 178 R N 0.111 120.554 120.500 -0.096 0.000 2.148 178 R HA -0.044 4.295 4.340 -0.002 0.000 0.227 178 R C 2.359 178.544 176.300 -0.192 0.000 1.103 178 R CA 1.217 57.242 56.100 -0.125 0.000 0.983 178 R CB -0.310 29.914 30.300 -0.126 0.000 0.874 178 R HN 0.367 nan 8.270 nan 0.000 0.451 179 G N 0.851 109.475 108.800 -0.294 0.000 2.430 179 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.216 179 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.216 179 G C 1.363 176.195 174.900 -0.113 0.000 1.146 179 G CA 0.035 44.970 45.100 -0.276 0.000 0.793 179 G HN 0.117 nan 8.290 nan 0.000 0.537 180 L N 1.050 122.233 121.223 -0.067 0.000 2.552 180 L HA 0.028 4.367 4.340 -0.002 0.000 0.227 180 L C 2.557 179.420 176.870 -0.012 0.000 1.146 180 L CA -0.184 54.648 54.840 -0.013 0.000 0.858 180 L CB -0.077 41.993 42.059 0.017 0.000 0.969 180 L HN 0.035 nan 8.230 nan 0.000 0.451 181 V N -0.623 119.274 119.914 -0.028 0.000 2.594 181 V HA -0.248 3.872 4.120 -0.002 0.000 0.253 181 V C 2.377 178.461 176.094 -0.017 0.000 1.069 181 V CA 2.134 64.423 62.300 -0.019 0.000 1.082 181 V CB -0.818 30.991 31.823 -0.024 0.000 0.680 181 V HN 0.476 nan 8.190 nan 0.000 0.469 182 T N -0.210 114.331 114.554 -0.020 0.000 2.901 182 T HA 0.010 4.359 4.350 -0.002 0.000 0.252 182 T C -0.080 174.617 174.700 -0.005 0.000 1.035 182 T CA 1.139 63.230 62.100 -0.014 0.000 1.142 182 T CB -0.874 67.986 68.868 -0.014 0.000 0.869 182 T HN 0.414 nan 8.240 nan 0.000 0.442 183 P HA -0.041 nan 4.420 nan 0.000 0.217 183 P C 1.503 178.805 177.300 0.005 0.000 1.150 183 P CA 0.976 64.085 63.100 0.016 0.000 0.832 183 P CB 0.034 31.755 31.700 0.035 0.000 0.787 184 R N -0.143 120.357 120.500 0.001 0.000 2.075 184 R HA -0.102 4.237 4.340 -0.002 0.000 0.230 184 R C 2.159 178.438 176.300 -0.034 0.000 1.140 184 R CA 2.082 58.173 56.100 -0.014 0.000 0.928 184 R CB -0.865 29.429 30.300 -0.010 0.000 0.834 184 R HN 0.066 nan 8.270 nan 0.000 0.429 185 M N 0.381 119.964 119.600 -0.029 0.000 2.108 185 M HA -0.162 4.317 4.480 -0.002 0.000 0.261 185 M C 2.526 178.803 176.300 -0.038 0.000 1.066 185 M CA 1.880 57.158 55.300 -0.036 0.000 1.107 185 M CB -0.392 32.192 32.600 -0.027 0.000 1.356 185 M HN 0.421 nan 8.290 nan 0.000 0.406 186 A N 0.018 122.822 122.820 -0.026 0.000 1.908 186 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 186 A C 1.985 179.549 177.584 -0.034 0.000 1.181 186 A CA 2.184 54.207 52.037 -0.022 0.000 0.627 186 A CB -0.612 18.384 19.000 -0.008 0.000 0.818 186 A HN 0.454 nan 8.150 nan 0.000 0.445 187 E N -0.374 119.803 120.200 -0.040 0.000 2.158 187 E HA -0.036 4.313 4.350 -0.002 0.000 0.191 187 E C 1.786 178.322 176.600 -0.106 0.000 0.982 187 E CA 1.089 57.454 56.400 -0.058 0.000 0.823 187 E CB -0.309 29.363 29.700 -0.047 0.000 0.766 187 E HN 0.235 nan 8.360 nan 0.000 0.468 188 V N 0.817 120.664 119.914 -0.111 0.000 2.261 188 V HA -0.163 3.956 4.120 -0.002 0.000 0.246 188 V C 1.916 177.933 176.094 -0.128 0.000 1.047 188 V CA 1.825 64.035 62.300 -0.150 0.000 1.015 188 V CB -0.734 31.019 31.823 -0.116 0.000 0.642 188 V HN 0.408 nan 8.190 nan 0.000 0.446 189 A N -1.298 121.471 122.820 -0.084 0.000 2.416 189 A HA 0.292 4.611 4.320 -0.002 0.000 0.252 189 A C 1.744 179.295 177.584 -0.055 0.000 1.353 189 A CA 1.020 53.018 52.037 -0.064 0.000 0.996 189 A CB -0.177 18.796 19.000 -0.046 0.000 0.961 189 A HN 0.425 nan 8.150 nan 0.000 0.523 190 S N -0.490 115.169 115.700 -0.069 0.000 2.661 190 S HA 0.120 4.589 4.470 -0.002 0.000 0.275 190 S C 0.660 175.227 174.600 -0.055 0.000 1.075 190 S CA -0.330 57.840 58.200 -0.049 0.000 1.251 190 S CB 0.007 63.184 63.200 -0.037 0.000 1.167 190 S HN 0.775 nan 8.310 nan 0.000 0.648 191 R N 1.539 121.981 120.500 -0.096 0.000 2.349 191 R HA 0.476 4.815 4.340 -0.002 0.000 0.299 191 R C -0.926 175.337 176.300 -0.061 0.000 1.027 191 R CA -0.414 55.626 56.100 -0.099 0.000 0.958 191 R CB 0.294 30.458 30.300 -0.227 0.000 1.047 191 R HN 0.086 nan 8.270 nan 0.000 0.468 192 D N 4.875 125.271 120.400 -0.007 0.000 2.389 192 D HA 0.029 4.668 4.640 -0.002 0.000 0.263 192 D C -1.215 175.117 176.300 0.052 0.000 1.255 192 D CA -1.892 52.121 54.000 0.021 0.000 0.914 192 D CB 1.174 41.996 40.800 0.037 0.000 1.116 192 D HN 0.394 nan 8.370 nan 0.000 0.502 193 P HA -0.222 nan 4.420 nan 0.000 0.217 193 P C 0.727 178.084 177.300 0.095 0.000 1.148 193 P CA 1.353 64.498 63.100 0.075 0.000 0.828 193 P CB 0.324 32.044 31.700 0.034 0.000 0.783 194 K N -0.187 120.245 120.400 0.054 0.000 1.991 194 K HA -0.022 4.297 4.320 -0.002 0.000 0.207 194 K C 2.506 179.121 176.600 0.025 0.000 1.045 194 K CA 1.018 57.319 56.287 0.024 0.000 0.937 194 K CB -0.755 31.752 32.500 0.012 0.000 0.720 194 K HN 0.124 nan 8.250 nan 0.000 0.438 195 L N 0.174 121.430 121.223 0.055 0.000 2.042 195 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 195 L C 2.626 179.560 176.870 0.107 0.000 1.076 195 L CA 1.310 56.189 54.840 0.064 0.000 0.749 195 L CB -0.484 41.624 42.059 0.081 0.000 0.893 195 L HN 0.214 nan 8.230 nan 0.000 0.432 196 Y N 0.702 121.013 120.300 0.018 0.000 2.207 196 Y HA -0.309 4.240 4.550 -0.002 0.000 0.287 196 Y C 2.414 178.346 175.900 0.054 0.000 1.156 196 Y CA 1.208 59.333 58.100 0.041 0.000 1.182 196 Y CB -0.309 38.164 38.460 0.022 0.000 0.979 196 Y HN 0.135 nan 8.280 nan 0.000 0.521 197 A N -0.051 122.781 122.820 0.020 0.000 1.933 197 A HA -0.178 4.141 4.320 -0.002 0.000 0.218 197 A C 2.174 179.679 177.584 -0.131 0.000 1.175 197 A CA 2.025 54.007 52.037 -0.092 0.000 0.628 197 A CB -0.616 18.345 19.000 -0.065 0.000 0.814 197 A HN 0.574 nan 8.150 nan 0.000 0.444 198 M N -0.368 119.117 119.600 -0.190 0.000 2.441 198 M HA 0.064 4.543 4.480 -0.002 0.000 0.244 198 M C 0.130 176.126 176.300 -0.507 0.000 1.122 198 M CA 0.363 55.431 55.300 -0.387 0.000 1.041 198 M CB -0.080 32.255 32.600 -0.442 0.000 1.438 198 M HN 0.746 nan 8.290 nan 0.000 0.484 199 H N -1.222 117.824 119.070 -0.040 0.000 2.415 199 H HA -0.096 4.459 4.556 -0.002 0.000 0.323 199 H C -2.549 172.846 175.328 0.112 0.000 1.035 199 H CA -0.428 55.618 56.048 -0.003 0.000 1.098 199 H CB -2.394 27.314 29.762 -0.090 0.000 1.575 199 H HN 0.169 nan 8.280 nan 0.000 0.387 200 P HA -0.084 nan 4.420 nan 0.000 0.266 200 P C 0.020 177.488 177.300 0.280 0.000 1.186 200 P CA 0.306 63.519 63.100 0.188 0.000 0.767 200 P CB 0.349 32.145 31.700 0.160 0.000 0.820 201 W N 5.258 126.620 121.300 0.103 0.000 2.466 201 W HA 0.464 5.123 4.660 -0.002 0.000 0.303 201 W C -1.523 174.988 176.519 -0.014 0.000 0.999 201 W CA -0.802 56.596 57.345 0.088 0.000 1.437 201 W CB 0.394 29.955 29.460 0.169 0.000 1.274 201 W HN 0.191 nan 8.180 nan 0.000 0.417 202 V N 2.251 122.241 119.914 0.126 0.000 3.164 202 V HA 0.914 5.033 4.120 -0.002 0.000 0.313 202 V C -0.675 175.402 176.094 -0.028 0.000 1.188 202 V CA -1.049 61.153 62.300 -0.163 0.000 1.058 202 V CB 1.401 32.971 31.823 -0.422 0.000 1.110 202 V HN 0.334 nan 8.190 nan 0.000 0.453 203 T N -0.626 113.871 114.554 -0.094 0.000 2.933 203 T HA 0.448 4.797 4.350 -0.002 0.000 0.305 203 T C 0.609 175.272 174.700 -0.062 0.000 1.092 203 T CA 0.296 62.375 62.100 -0.034 0.000 1.008 203 T CB 1.807 70.656 68.868 -0.031 0.000 1.102 203 T HN 1.520 nan 8.240 nan 0.000 0.469 204 S N 2.961 118.638 115.700 -0.038 0.000 2.558 204 S HA 0.244 4.713 4.470 -0.002 0.000 0.217 204 S C 0.551 175.115 174.600 -0.060 0.000 0.975 204 S CA -0.185 57.984 58.200 -0.051 0.000 0.912 204 S CB -0.359 62.821 63.200 -0.034 0.000 0.776 204 S HN 0.678 nan 8.310 nan 0.000 0.526 205 K N 3.170 123.537 120.400 -0.055 0.000 2.414 205 K HA 0.234 4.553 4.320 -0.002 0.000 0.272 205 K C -2.418 174.126 176.600 -0.094 0.000 0.993 205 K CA -1.448 54.800 56.287 -0.064 0.000 0.964 205 K CB -0.051 32.417 32.500 -0.052 0.000 0.925 205 K HN 0.279 nan 8.250 nan 0.000 0.487 206 P HA 0.032 nan 4.420 nan 0.000 0.275 206 P C -0.339 176.860 177.300 -0.168 0.000 1.228 206 P CA -0.216 62.790 63.100 -0.158 0.000 0.786 206 P CB 0.604 32.215 31.700 -0.149 0.000 0.927 207 L N 4.664 125.751 121.223 -0.226 0.000 2.584 207 L HA 0.042 4.381 4.340 -0.002 0.000 0.272 207 L C -1.646 175.121 176.870 -0.171 0.000 1.195 207 L CA -1.234 53.496 54.840 -0.183 0.000 0.920 207 L CB -0.350 41.596 42.059 -0.188 0.000 1.173 207 L HN 0.292 nan 8.230 nan 0.000 0.489 208 P HA -0.103 nan 4.420 nan 0.000 0.270 208 P C 0.522 177.601 177.300 -0.368 0.000 1.216 208 P CA 0.017 62.859 63.100 -0.431 0.000 0.788 208 P CB 0.600 31.746 31.700 -0.924 0.000 0.883 209 E N 0.478 120.493 120.200 -0.309 0.000 2.031 209 E HA -0.252 4.097 4.350 -0.002 0.000 0.193 209 E C 1.776 178.324 176.600 -0.086 0.000 0.994 209 E CA 1.383 57.734 56.400 -0.082 0.000 0.800 209 E CB -0.518 29.191 29.700 0.016 0.000 0.752 209 E HN 0.587 nan 8.360 nan 0.000 0.447 210 Y N -0.069 120.274 120.300 0.072 0.000 2.207 210 Y HA -0.148 4.401 4.550 -0.002 0.000 0.287 210 Y C 1.943 177.864 175.900 0.034 0.000 1.156 210 Y CA 0.837 58.959 58.100 0.036 0.000 1.182 210 Y CB -0.717 37.757 38.460 0.023 0.000 0.979 210 Y HN 0.018 nan 8.280 nan 0.000 0.521 211 L N -0.936 120.224 121.223 -0.104 0.000 2.034 211 L HA -0.118 4.221 4.340 -0.002 0.000 0.203 211 L C 2.720 179.658 176.870 0.112 0.000 1.074 211 L CA 1.435 56.303 54.840 0.047 0.000 0.748 211 L CB -0.805 41.240 42.059 -0.023 0.000 0.905 211 L HN 0.526 nan 8.230 nan 0.000 0.439 212 W N 1.818 123.028 121.300 -0.150 0.000 2.315 212 W HA -0.253 4.406 4.660 -0.002 0.000 0.323 212 W C 1.503 177.980 176.519 -0.071 0.000 1.233 212 W CA 0.910 58.192 57.345 -0.104 0.000 1.267 212 W CB 0.158 29.551 29.460 -0.112 0.000 1.160 212 W HN -0.055 nan 8.180 nan 0.000 0.474 213 K N 1.511 121.824 120.400 -0.145 0.000 2.449 213 K HA -0.051 4.268 4.320 -0.002 0.000 0.237 213 K C 0.472 176.981 176.600 -0.151 0.000 1.265 213 K CA 0.666 56.787 56.287 -0.278 0.000 1.193 213 K CB -0.381 32.030 32.500 -0.148 0.000 1.515 213 K HN 0.173 nan 8.250 nan 0.000 0.259 214 K N 1.948 122.243 120.400 -0.175 0.000 2.195 214 K HA 0.131 4.450 4.320 -0.002 0.000 0.153 214 K C -0.203 176.330 176.600 -0.111 0.000 1.989 214 K CA -0.203 56.027 56.287 -0.095 0.000 1.067 214 K CB 0.244 32.734 32.500 -0.017 0.000 1.964 214 K HN 0.258 nan 8.250 nan 0.000 0.482 215 I N 2.723 123.200 120.570 -0.154 0.000 2.634 215 I HA 0.111 4.280 4.170 -0.002 0.000 0.284 215 I C 0.560 176.567 176.117 -0.183 0.000 1.124 215 I CA -0.265 60.952 61.300 -0.138 0.000 1.417 215 I CB 1.347 39.299 38.000 -0.080 0.000 1.396 215 I HN 0.188 nan 8.210 nan 0.000 0.571 216 A N 6.510 129.236 122.820 -0.157 0.000 2.752 216 A HA 0.031 4.350 4.320 -0.002 0.000 0.292 216 A C 0.999 178.492 177.584 -0.152 0.000 1.597 216 A CA 0.274 52.226 52.037 -0.142 0.000 1.241 216 A CB -0.851 18.066 19.000 -0.139 0.000 1.061 216 A HN 0.999 nan 8.150 nan 0.000 0.576 217 N N 0.943 119.542 118.700 -0.167 0.000 2.065 217 N HA -0.305 4.434 4.740 -0.002 0.000 0.169 217 N C 0.276 175.697 175.510 -0.148 0.000 0.608 217 N CA 2.225 55.182 53.050 -0.155 0.000 1.363 217 N CB -1.006 37.427 38.487 -0.089 0.000 1.390 217 N HN 0.748 nan 8.380 nan 0.000 0.417 218 N N 0.554 119.214 118.700 -0.067 0.000 2.517 218 N HA 0.439 5.178 4.740 -0.002 0.000 0.285 218 N C -1.840 173.660 175.510 -0.017 0.000 1.528 218 N CA -0.111 52.948 53.050 0.015 0.000 0.892 218 N CB 0.068 38.588 38.487 0.056 0.000 1.356 218 N HN 0.521 nan 8.380 nan 0.000 0.495 219 C N 0.717 119.958 119.300 -0.099 0.000 3.006 219 C HA 0.588 5.047 4.460 -0.002 0.000 0.359 219 C C -0.077 174.686 174.990 -0.379 0.000 1.103 219 C CA -1.272 57.637 59.018 -0.182 0.000 1.286 219 C CB 0.175 27.814 27.740 -0.167 0.000 1.694 219 C HN 0.475 nan 8.230 nan 0.000 0.511 220 I N -1.008 119.319 120.570 -0.404 0.000 3.522 220 I HA 0.936 5.105 4.170 -0.002 0.000 0.292 220 I C -1.603 174.119 176.117 -0.658 0.000 1.147 220 I CA -0.806 60.173 61.300 -0.535 0.000 1.032 220 I CB 1.675 39.550 38.000 -0.209 0.000 1.337 220 I HN 0.403 nan 8.210 nan 0.000 0.496 221 F N 1.938 121.874 119.950 -0.022 0.000 2.547 221 F HA 0.607 5.133 4.527 -0.002 0.000 0.316 221 F C -0.419 175.345 175.800 -0.059 0.000 1.121 221 F CA -0.949 57.032 58.000 -0.031 0.000 0.911 221 F CB 1.954 40.939 39.000 -0.024 0.000 1.179 221 F HN 0.375 nan 8.300 nan 0.000 0.443 222 I N 0.852 121.502 120.570 0.133 0.000 2.493 222 I HA 0.510 4.680 4.170 -0.002 0.000 0.279 222 I C -1.038 175.087 176.117 0.012 0.000 1.045 222 I CA -1.072 60.238 61.300 0.017 0.000 1.106 222 I CB 1.338 39.319 38.000 -0.030 0.000 1.216 222 I HN 0.179 nan 8.210 nan 0.000 0.459 223 V N 6.868 126.788 119.914 0.010 0.000 2.434 223 V HA 0.112 4.231 4.120 -0.002 0.000 0.281 223 V C 0.699 176.920 176.094 0.212 0.000 1.005 223 V CA 0.456 62.827 62.300 0.118 0.000 1.089 223 V CB -0.080 31.902 31.823 0.265 0.000 0.978 223 V HN 0.571 nan 8.190 nan 0.000 0.474 224 I N 5.077 125.715 120.570 0.114 0.000 2.472 224 I HA 0.422 4.591 4.170 -0.002 0.000 0.290 224 I C 0.157 176.412 176.117 0.230 0.000 1.016 224 I CA -0.328 61.037 61.300 0.107 0.000 1.348 224 I CB 0.981 38.889 38.000 -0.152 0.000 1.417 224 I HN 0.607 nan 8.210 nan 0.000 0.521 225 H N 3.578 122.676 119.070 0.047 0.000 2.812 225 H HA 0.736 5.291 4.556 -0.002 0.000 0.355 225 H C -0.160 175.206 175.328 0.064 0.000 1.207 225 H CA -0.566 55.516 56.048 0.057 0.000 1.217 225 H CB 1.675 31.458 29.762 0.035 0.000 1.874 225 H HN 0.452 nan 8.280 nan 0.000 0.581 226 R N -1.311 119.292 120.500 0.173 0.000 3.200 226 R HA 0.303 4.642 4.340 -0.002 0.000 0.099 226 R C 1.206 177.554 176.300 0.079 0.000 0.541 226 R CA 0.535 56.704 56.100 0.116 0.000 0.321 226 R CB -0.262 30.111 30.300 0.123 0.000 0.718 226 R HN 0.526 nan 8.270 nan 0.000 0.319 227 S N -0.915 114.820 115.700 0.058 0.000 2.380 227 S HA -0.129 4.340 4.470 -0.002 0.000 0.217 227 S C 1.347 175.969 174.600 0.037 0.000 1.036 227 S CA 2.280 60.504 58.200 0.039 0.000 1.050 227 S CB -0.453 62.767 63.200 0.032 0.000 1.016 227 S HN 0.677 nan 8.310 nan 0.000 0.419 228 T N -0.388 114.180 114.554 0.025 0.000 3.073 228 T HA 0.156 4.505 4.350 -0.002 0.000 0.264 228 T C 0.217 174.901 174.700 -0.028 0.000 0.893 228 T CA 0.072 62.178 62.100 0.010 0.000 0.863 228 T CB -0.235 68.637 68.868 0.007 0.000 1.247 228 T HN 0.359 nan 8.240 nan 0.000 0.546 229 T N 2.843 117.387 114.554 -0.017 0.000 2.766 229 T HA 0.568 4.917 4.350 -0.002 0.000 0.295 229 T C -0.372 174.273 174.700 -0.092 0.000 1.024 229 T CA -0.102 61.979 62.100 -0.032 0.000 1.018 229 T CB 0.951 69.826 68.868 0.011 0.000 1.002 229 T HN 0.627 nan 8.240 nan 0.000 0.532 230 S N 0.519 116.163 115.700 -0.093 0.000 2.604 230 S HA 0.449 4.918 4.470 -0.002 0.000 0.296 230 S C -1.897 172.676 174.600 -0.045 0.000 1.097 230 S CA -1.155 56.956 58.200 -0.147 0.000 0.883 230 S CB 1.544 64.458 63.200 -0.477 0.000 1.081 230 S HN 0.546 nan 8.310 nan 0.000 0.448 231 Q N 0.940 120.755 119.800 0.024 0.000 2.389 231 Q HA 0.579 4.918 4.340 -0.002 0.000 0.277 231 Q C -1.111 174.922 176.000 0.054 0.000 1.082 231 Q CA -0.391 55.445 55.803 0.056 0.000 0.810 231 Q CB 2.649 31.462 28.738 0.125 0.000 1.374 231 Q HN 0.856 nan 8.270 nan 0.000 0.422 232 T N 2.462 117.029 114.554 0.022 0.000 2.882 232 T HA 0.598 4.947 4.350 -0.002 0.000 0.287 232 T C -0.087 174.644 174.700 0.052 0.000 0.992 232 T CA -0.170 61.932 62.100 0.005 0.000 1.076 232 T CB 0.318 69.117 68.868 -0.114 0.000 0.961 232 T HN 0.268 nan 8.240 nan 0.000 0.490 233 I N 2.535 123.176 120.570 0.118 0.000 2.646 233 I HA 0.352 4.521 4.170 -0.002 0.000 0.299 233 I C 0.096 176.416 176.117 0.338 0.000 1.036 233 I CA -0.736 60.673 61.300 0.182 0.000 1.074 233 I CB 1.820 39.894 38.000 0.123 0.000 1.258 233 I HN 0.363 nan 8.210 nan 0.000 0.430 234 K N 4.383 124.977 120.400 0.324 0.000 2.284 234 K HA 0.580 4.899 4.320 -0.002 0.000 0.287 234 K C -1.249 175.412 176.600 0.101 0.000 1.081 234 K CA -0.372 56.093 56.287 0.297 0.000 0.910 234 K CB 0.912 33.581 32.500 0.283 0.000 1.088 234 K HN 0.311 nan 8.250 nan 0.000 0.478 235 V N 2.323 122.241 119.914 0.007 0.000 2.531 235 V HA 0.145 4.264 4.120 -0.002 0.000 0.301 235 V C 0.261 176.328 176.094 -0.046 0.000 1.034 235 V CA -1.058 61.238 62.300 -0.006 0.000 0.865 235 V CB 1.597 33.419 31.823 -0.001 0.000 0.995 235 V HN 0.885 nan 8.190 nan 0.000 0.424 236 S N 6.113 121.803 115.700 -0.015 0.000 2.576 236 S HA 0.231 4.700 4.470 -0.002 0.000 0.272 236 S C -1.035 173.570 174.600 0.009 0.000 1.352 236 S CA -0.350 57.847 58.200 -0.004 0.000 1.021 236 S CB 0.890 64.101 63.200 0.019 0.000 0.887 236 S HN 0.656 nan 8.310 nan 0.000 0.542 237 P HA -0.071 nan 4.420 nan 0.000 0.217 237 P C 0.642 177.949 177.300 0.012 0.000 1.151 237 P CA 1.117 64.246 63.100 0.049 0.000 0.828 237 P CB -0.062 31.726 31.700 0.146 0.000 0.788 238 D N -0.193 120.210 120.400 0.003 0.000 2.363 238 D HA -0.018 4.621 4.640 -0.002 0.000 0.226 238 D C 0.663 176.968 176.300 0.009 0.000 1.020 238 D CA 0.502 54.493 54.000 -0.015 0.000 0.892 238 D CB -0.069 40.716 40.800 -0.024 0.000 0.900 238 D HN 0.184 nan 8.370 nan 0.000 0.531 239 D N 0.563 120.974 120.400 0.019 0.000 2.232 239 D HA 0.029 4.668 4.640 -0.002 0.000 0.242 239 D C 0.907 177.232 176.300 0.042 0.000 1.330 239 D CA 0.823 54.838 54.000 0.025 0.000 0.954 239 D CB 0.824 41.635 40.800 0.018 0.000 1.202 239 D HN 0.116 nan 8.370 nan 0.000 0.530 240 T N -4.351 110.228 114.554 0.041 0.000 2.843 240 T HA 0.382 4.731 4.350 -0.002 0.000 0.302 240 T C -2.449 172.270 174.700 0.031 0.000 1.232 240 T CA -1.380 60.761 62.100 0.069 0.000 1.009 240 T CB 1.887 70.798 68.868 0.071 0.000 1.254 240 T HN -0.105 nan 8.240 nan 0.000 0.504 241 P HA 0.058 nan 4.420 nan 0.000 0.218 241 P C 1.719 179.005 177.300 -0.024 0.000 1.149 241 P CA 1.308 64.383 63.100 -0.042 0.000 0.817 241 P CB -0.267 31.411 31.700 -0.037 0.000 0.785 242 G N 0.004 108.812 108.800 0.013 0.000 2.394 242 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.215 242 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.215 242 G C 1.635 176.534 174.900 -0.002 0.000 1.165 242 G CA 0.807 45.909 45.100 0.002 0.000 0.784 242 G HN 0.277 nan 8.290 nan 0.000 0.535 243 A N 0.658 123.485 122.820 0.013 0.000 1.865 243 A HA 0.114 4.433 4.320 -0.002 0.000 0.217 243 A C 1.515 179.112 177.584 0.023 0.000 1.191 243 A CA 0.840 52.890 52.037 0.021 0.000 0.623 243 A CB -0.389 18.626 19.000 0.025 0.000 0.826 243 A HN 0.392 nan 8.150 nan 0.000 0.444 244 I N -2.250 118.324 120.570 0.006 0.000 3.322 244 I HA 0.249 4.418 4.170 -0.002 0.000 0.296 244 I C 1.630 177.740 176.117 -0.012 0.000 1.101 244 I CA -0.012 61.294 61.300 0.010 0.000 1.166 244 I CB 0.437 38.409 38.000 -0.047 0.000 1.475 244 I HN 0.466 nan 8.210 nan 0.000 0.665 245 L N -0.752 120.487 121.223 0.026 0.000 3.888 245 L HA -0.386 3.953 4.340 -0.002 0.000 0.362 245 L C 2.072 178.836 176.870 -0.178 0.000 0.963 245 L CA 1.802 56.611 54.840 -0.051 0.000 2.926 245 L CB -0.848 41.076 42.059 -0.226 0.000 0.851 245 L HN 0.897 nan 8.230 nan 0.000 0.728 246 Q N -0.035 119.700 119.800 -0.109 0.000 1.984 246 Q HA -0.108 4.231 4.340 -0.002 0.000 0.196 246 Q C 1.725 177.775 176.000 0.085 0.000 0.975 246 Q CA 2.129 57.903 55.803 -0.049 0.000 0.827 246 Q CB 0.058 28.782 28.738 -0.022 0.000 0.894 246 Q HN 0.669 nan 8.270 nan 0.000 0.438 247 S N 0.672 116.428 115.700 0.092 0.000 2.507 247 S HA -0.068 4.401 4.470 -0.002 0.000 0.235 247 S C 1.261 175.960 174.600 0.165 0.000 0.988 247 S CA 0.661 58.925 58.200 0.108 0.000 0.944 247 S CB -0.287 62.967 63.200 0.089 0.000 0.762 247 S HN 0.441 nan 8.310 nan 0.000 0.526 248 F N 0.796 120.782 119.950 0.060 0.000 2.374 248 F HA 0.284 4.809 4.527 -0.002 0.000 0.291 248 F C 1.518 177.453 175.800 0.224 0.000 1.084 248 F CA 0.370 58.433 58.000 0.105 0.000 1.413 248 F CB -0.426 38.617 39.000 0.072 0.000 1.099 248 F HN 0.176 nan 8.300 nan 0.000 0.534 249 F N 1.005 120.875 119.950 -0.133 0.000 2.250 249 F HA -0.188 4.338 4.527 -0.002 0.000 0.301 249 F C 1.259 176.913 175.800 -0.242 0.000 1.077 249 F CA 0.992 58.851 58.000 -0.235 0.000 1.348 249 F CB -0.314 38.657 39.000 -0.049 0.000 1.040 249 F HN 0.044 nan 8.300 nan 0.000 0.509 250 T N -1.872 112.698 114.554 0.026 0.000 3.465 250 T HA 0.249 4.598 4.350 -0.002 0.000 0.323 250 T C 0.121 174.786 174.700 -0.059 0.000 1.774 250 T CA -0.406 61.680 62.100 -0.023 0.000 1.348 250 T CB 0.575 69.455 68.868 0.019 0.000 1.147 250 T HN 0.226 nan 8.240 nan 0.000 0.778 251 K N 1.063 121.382 120.400 -0.135 0.000 2.798 251 K HA 0.286 4.605 4.320 -0.002 0.000 0.145 251 K C -0.818 175.699 176.600 -0.139 0.000 1.147 251 K CA -0.151 56.071 56.287 -0.108 0.000 1.138 251 K CB 0.421 32.883 32.500 -0.063 0.000 0.880 251 K HN 0.507 nan 8.250 nan 0.000 0.419 270 F N 0.285 120.346 119.950 0.185 0.000 2.593 270 F HA 0.598 5.124 4.527 -0.002 0.000 0.320 270 F C -0.058 175.767 175.800 0.041 0.000 1.060 270 F CA -1.322 56.775 58.000 0.161 0.000 0.940 270 F CB 2.453 41.660 39.000 0.345 0.000 1.268 270 F HN -0.348 nan 8.300 nan 0.000 0.475 271 V N 3.317 123.366 119.914 0.225 0.000 2.919 271 V HA 0.554 4.673 4.120 -0.002 0.000 0.316 271 V C -1.034 175.112 176.094 0.086 0.000 1.077 271 V CA -0.708 61.659 62.300 0.112 0.000 0.977 271 V CB 2.340 34.216 31.823 0.088 0.000 1.039 271 V HN 0.530 nan 8.190 nan 0.000 0.441 272 L N 5.714 126.963 121.223 0.043 0.000 2.265 272 L HA 0.631 4.970 4.340 -0.002 0.000 0.289 272 L C 0.079 176.930 176.870 -0.032 0.000 1.033 272 L CA -0.212 54.618 54.840 -0.017 0.000 0.814 272 L CB 1.155 43.159 42.059 -0.091 0.000 1.203 272 L HN 0.610 nan 8.230 nan 0.000 0.423 273 R N 2.567 123.005 120.500 -0.102 0.000 2.637 273 R HA 0.589 4.928 4.340 -0.002 0.000 0.291 273 R C -1.094 175.020 176.300 -0.311 0.000 0.963 273 R CA -0.714 55.200 56.100 -0.309 0.000 0.901 273 R CB 2.137 32.158 30.300 -0.464 0.000 1.160 273 R HN 0.342 nan 8.270 nan 0.000 0.457 274 V N 3.661 123.322 119.914 -0.422 0.000 2.637 274 V HA 0.054 4.173 4.120 -0.002 0.000 0.296 274 V C 0.386 176.262 176.094 -0.363 0.000 1.046 274 V CA -0.499 61.551 62.300 -0.416 0.000 1.066 274 V CB 0.808 32.158 31.823 -0.787 0.000 0.968 274 V HN 0.819 nan 8.190 nan 0.000 0.483 275 C N 4.700 123.850 119.300 -0.250 0.000 2.642 275 C HA 0.458 4.917 4.460 -0.002 0.000 0.420 275 C C 1.751 176.615 174.990 -0.210 0.000 1.349 275 C CA 0.741 59.626 59.018 -0.222 0.000 1.821 275 C CB -0.761 26.840 27.740 -0.231 0.000 2.637 275 C HN 1.346 nan 8.230 nan 0.000 0.605 276 G N 3.219 111.904 108.800 -0.191 0.000 2.245 276 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.264 276 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.264 276 G C 0.171 174.943 174.900 -0.215 0.000 0.985 276 G CA 0.584 45.584 45.100 -0.165 0.000 0.625 276 G HN 0.769 nan 8.290 nan 0.000 0.536 277 R N -0.580 119.738 120.500 -0.304 0.000 2.939 277 R HA 0.569 4.909 4.340 -0.002 0.000 0.254 277 R C -1.198 174.879 176.300 -0.372 0.000 1.123 277 R CA -0.834 55.057 56.100 -0.347 0.000 1.020 277 R CB 0.755 30.762 30.300 -0.489 0.000 1.206 277 R HN -0.005 nan 8.270 nan 0.000 0.491 278 D N 1.179 121.389 120.400 -0.316 0.000 3.088 278 D HA 0.160 4.799 4.640 -0.002 0.000 0.310 278 D C -1.129 175.016 176.300 -0.259 0.000 1.351 278 D CA 0.089 53.916 54.000 -0.289 0.000 0.921 278 D CB 0.546 41.292 40.800 -0.089 0.000 1.045 278 D HN 0.215 nan 8.370 nan 0.000 0.504 279 E N 0.486 120.391 120.200 -0.492 0.000 2.235 279 E HA 0.240 4.589 4.350 -0.002 0.000 0.252 279 E C -1.283 175.042 176.600 -0.457 0.000 0.886 279 E CA -0.655 55.540 56.400 -0.341 0.000 0.767 279 E CB 0.513 30.028 29.700 -0.308 0.000 1.205 279 E HN 0.040 nan 8.360 nan 0.000 0.421 280 Y N 3.210 123.396 120.300 -0.190 0.000 2.320 280 Y HA 0.333 4.882 4.550 -0.001 0.000 0.334 280 Y C 0.233 176.104 175.900 -0.049 0.000 1.055 280 Y CA -0.932 57.084 58.100 -0.141 0.000 1.143 280 Y CB 1.024 39.396 38.460 -0.147 0.000 1.193 280 Y HN 0.356 nan 8.280 nan 0.000 0.477 281 L N 5.728 126.943 121.223 -0.014 0.000 2.389 281 L HA 0.378 4.717 4.340 -0.002 0.000 0.265 281 L C -0.571 176.261 176.870 -0.063 0.000 1.167 281 L CA -0.406 54.271 54.840 -0.273 0.000 1.045 281 L CB -0.900 40.728 42.059 -0.718 0.000 1.351 281 L HN 0.455 nan 8.230 nan 0.000 0.419 282 V N -0.579 119.496 119.914 0.268 0.000 3.164 282 V HA 0.981 5.100 4.120 -0.002 0.000 0.313 282 V C 0.406 176.695 176.094 0.325 0.000 1.188 282 V CA -0.757 61.674 62.300 0.219 0.000 1.058 282 V CB 1.414 33.306 31.823 0.115 0.000 1.110 282 V HN 0.741 nan 8.190 nan 0.000 0.453 283 G N 0.510 109.419 108.800 0.182 0.000 2.692 283 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.686 283 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.686 283 G C -0.650 174.330 174.900 0.133 0.000 1.243 283 G CA -0.631 44.550 45.100 0.135 0.000 0.782 283 G HN 0.807 nan 8.290 nan 0.000 0.625 284 E N 0.830 121.076 120.200 0.076 0.000 1.775 284 E HA 0.381 4.730 4.350 -0.002 0.000 0.266 284 E C 0.688 177.317 176.600 0.048 0.000 1.191 284 E CA 0.916 57.354 56.400 0.063 0.000 1.048 284 E CB 0.518 30.242 29.700 0.039 0.000 1.081 284 E HN 0.845 nan 8.360 nan 0.000 0.434 285 T N 0.792 115.396 114.554 0.084 0.000 2.956 285 T HA 0.390 4.739 4.350 -0.002 0.000 0.312 285 T C -2.921 171.856 174.700 0.127 0.000 1.151 285 T CA -2.392 59.727 62.100 0.033 0.000 1.024 285 T CB 1.767 70.556 68.868 -0.131 0.000 1.140 285 T HN -0.126 nan 8.240 nan 0.000 0.473 286 P HA 0.062 nan 4.420 nan 0.000 0.262 286 P C 1.234 178.660 177.300 0.211 0.000 1.182 286 P CA -0.295 62.856 63.100 0.085 0.000 0.761 286 P CB 0.273 31.975 31.700 0.004 0.000 0.795 287 I N 5.085 125.782 120.570 0.211 0.000 2.315 287 I HA -0.272 3.897 4.170 -0.002 0.000 0.251 287 I C 1.648 177.917 176.117 0.255 0.000 1.125 287 I CA 2.015 63.463 61.300 0.247 0.000 1.392 287 I CB -0.342 37.689 38.000 0.051 0.000 1.065 287 I HN 0.421 nan 8.210 nan 0.000 0.424 288 K N -0.258 120.216 120.400 0.123 0.000 2.288 288 K HA -0.120 4.199 4.320 -0.002 0.000 0.201 288 K C 1.301 177.930 176.600 0.049 0.000 1.048 288 K CA 1.359 57.682 56.287 0.059 0.000 0.956 288 K CB -0.443 32.045 32.500 -0.020 0.000 0.746 288 K HN 0.197 nan 8.250 nan 0.000 0.461 289 N N 0.270 119.000 118.700 0.051 0.000 2.521 289 N HA 0.054 4.793 4.740 -0.002 0.000 0.188 289 N C -0.776 174.662 175.510 -0.120 0.000 1.146 289 N CA 0.317 53.331 53.050 -0.061 0.000 0.893 289 N CB -0.078 38.337 38.487 -0.119 0.000 0.975 289 N HN 0.095 nan 8.380 nan 0.000 0.451 290 F N 1.336 121.265 119.950 -0.035 0.000 2.445 290 F HA 0.133 4.659 4.527 -0.002 0.000 0.359 290 F C 1.774 177.509 175.800 -0.109 0.000 1.101 290 F CA -0.364 57.619 58.000 -0.028 0.000 1.177 290 F CB 0.965 39.987 39.000 0.037 0.000 1.110 290 F HN -0.085 nan 8.300 nan 0.000 0.522 291 Q N 4.039 123.742 119.800 -0.161 0.000 2.062 291 Q HA -0.302 4.038 4.340 -0.002 0.000 0.209 291 Q C 2.307 178.170 176.000 -0.227 0.000 0.996 291 Q CA 1.995 57.516 55.803 -0.471 0.000 0.859 291 Q CB -0.630 27.194 28.738 -1.525 0.000 0.920 291 Q HN 0.908 nan 8.270 nan 0.000 0.415 292 W N 0.990 122.173 121.300 -0.195 0.000 2.318 292 W HA -0.222 4.438 4.660 -0.001 0.000 0.313 292 W C 1.812 178.357 176.519 0.044 0.000 1.221 292 W CA 1.772 59.102 57.345 -0.025 0.000 1.266 292 W CB -0.160 29.334 29.460 0.057 0.000 1.150 292 W HN -0.006 nan 8.180 nan 0.000 0.496 293 V N 1.927 121.862 119.914 0.036 0.000 2.287 293 V HA -0.327 3.792 4.120 -0.002 0.000 0.248 293 V C 2.573 178.577 176.094 -0.150 0.000 1.053 293 V CA 2.351 64.604 62.300 -0.078 0.000 1.027 293 V CB -1.031 30.825 31.823 0.055 0.000 0.646 293 V HN 0.180 nan 8.190 nan 0.000 0.447 294 R N -0.512 119.932 120.500 -0.093 0.000 2.152 294 R HA -0.203 4.136 4.340 -0.002 0.000 0.232 294 R C 2.293 178.521 176.300 -0.120 0.000 1.117 294 R CA 1.756 57.808 56.100 -0.080 0.000 0.981 294 R CB -0.571 29.692 30.300 -0.061 0.000 0.870 294 R HN 0.679 nan 8.270 nan 0.000 0.451 295 H N 0.029 118.914 119.070 -0.309 0.000 2.428 295 H HA -0.018 4.537 4.556 -0.002 0.000 0.296 295 H C 1.876 176.952 175.328 -0.420 0.000 1.062 295 H CA 1.258 57.084 56.048 -0.371 0.000 1.350 295 H CB -0.115 29.336 29.762 -0.518 0.000 1.403 295 H HN 0.103 nan 8.280 nan 0.000 0.533 296 C N 0.024 118.953 119.300 -0.619 0.000 2.462 296 C HA -0.052 4.407 4.460 -0.002 0.000 0.278 296 C C 2.861 177.657 174.990 -0.323 0.000 1.253 296 C CA 0.896 59.598 59.018 -0.526 0.000 1.713 296 C CB -1.080 26.420 27.740 -0.399 0.000 2.049 296 C HN 0.563 nan 8.230 nan 0.000 0.477 297 L N 0.772 121.866 121.223 -0.214 0.000 2.012 297 L HA -0.218 4.121 4.340 -0.002 0.000 0.210 297 L C 2.608 179.413 176.870 -0.109 0.000 1.073 297 L CA 1.661 56.431 54.840 -0.116 0.000 0.748 297 L CB -0.844 41.184 42.059 -0.051 0.000 0.891 297 L HN 0.377 nan 8.230 nan 0.000 0.431 298 K N 0.516 120.839 120.400 -0.128 0.000 2.000 298 K HA -0.212 4.107 4.320 -0.002 0.000 0.218 298 K C 1.438 177.942 176.600 -0.160 0.000 1.053 298 K CA 2.183 58.409 56.287 -0.103 0.000 0.946 298 K CB -0.125 32.312 32.500 -0.105 0.000 0.723 298 K HN 0.214 nan 8.250 nan 0.000 0.446 299 N N -0.297 118.240 118.700 -0.273 0.000 2.421 299 N HA 0.075 4.814 4.740 -0.002 0.000 0.201 299 N C -0.523 174.891 175.510 -0.160 0.000 1.198 299 N CA 0.739 53.655 53.050 -0.224 0.000 0.838 299 N CB 0.644 38.942 38.487 -0.315 0.000 1.011 299 N HN 0.412 nan 8.380 nan 0.000 0.463 300 G N 0.835 109.550 108.800 -0.141 0.000 2.290 300 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.270 300 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.270 300 G C -0.401 174.452 174.900 -0.078 0.000 0.891 300 G CA 0.364 45.410 45.100 -0.090 0.000 1.321 300 G HN 0.409 nan 8.290 nan 0.000 0.425 301 E N -0.152 119.983 120.200 -0.107 0.000 2.410 301 E HA 0.405 4.754 4.350 -0.002 0.000 0.269 301 E C 0.029 176.583 176.600 -0.077 0.000 0.937 301 E CA -1.035 55.324 56.400 -0.068 0.000 0.793 301 E CB 1.646 31.298 29.700 -0.080 0.000 1.314 301 E HN 0.510 nan 8.360 nan 0.000 0.447 302 E N 0.761 120.923 120.200 -0.063 0.000 2.392 302 E HA 0.217 4.566 4.350 -0.002 0.000 0.259 302 E C -0.274 176.129 176.600 -0.328 0.000 1.108 302 E CA 0.016 56.280 56.400 -0.227 0.000 0.916 302 E CB 0.787 30.255 29.700 -0.386 0.000 0.989 302 E HN 0.294 nan 8.360 nan 0.000 0.432 303 I N 2.858 123.233 120.570 -0.325 0.000 2.479 303 I HA 0.158 4.327 4.170 -0.002 0.000 0.279 303 I C -0.745 175.283 176.117 -0.149 0.000 1.102 303 I CA -0.467 60.754 61.300 -0.132 0.000 1.196 303 I CB -0.165 37.814 38.000 -0.036 0.000 1.427 303 I HN 0.381 nan 8.210 nan 0.000 0.503 304 H N 3.661 122.789 119.070 0.097 0.000 2.525 304 H HA 0.596 5.151 4.556 -0.002 0.000 0.339 304 H C -0.123 175.157 175.328 -0.080 0.000 1.109 304 H CA -0.691 55.351 56.048 -0.010 0.000 1.352 304 H CB 1.344 30.991 29.762 -0.192 0.000 1.461 304 H HN 0.295 nan 8.280 nan 0.000 0.533 305 V N 0.415 120.340 119.914 0.019 0.000 2.851 305 V HA 0.369 4.488 4.120 -0.002 0.000 0.307 305 V C -0.388 175.686 176.094 -0.032 0.000 1.129 305 V CA -1.135 61.127 62.300 -0.062 0.000 0.932 305 V CB 1.365 33.142 31.823 -0.077 0.000 1.024 305 V HN 0.629 nan 8.190 nan 0.000 0.426 306 V N 5.282 125.152 119.914 -0.073 0.000 2.649 306 V HA 0.519 4.638 4.120 -0.002 0.000 0.292 306 V C 0.104 176.193 176.094 -0.008 0.000 1.055 306 V CA -0.303 61.987 62.300 -0.017 0.000 1.023 306 V CB 1.324 33.111 31.823 -0.060 0.000 0.992 306 V HN 1.053 nan 8.190 nan 0.000 0.480 307 L N 8.184 129.432 121.223 0.040 0.000 2.389 307 L HA 0.484 4.823 4.340 -0.002 0.000 0.265 307 L C -0.199 176.603 176.870 -0.114 0.000 1.167 307 L CA 0.058 54.933 54.840 0.059 0.000 1.045 307 L CB -0.520 41.675 42.059 0.226 0.000 1.351 307 L HN 0.884 nan 8.230 nan 0.000 0.419 308 D N 1.157 121.461 120.400 -0.161 0.000 2.525 308 D HA 0.465 5.104 4.640 -0.002 0.000 0.249 308 D C -0.446 175.658 176.300 -0.327 0.000 1.072 308 D CA -0.576 53.243 54.000 -0.301 0.000 1.067 308 D CB 0.676 41.394 40.800 -0.136 0.000 1.282 308 D HN 0.281 nan 8.370 nan 0.000 0.587 309 T N -0.876 113.502 114.554 -0.293 0.000 2.909 309 T HA 0.468 4.817 4.350 -0.002 0.000 0.289 309 T C -2.364 172.328 174.700 -0.014 0.000 1.005 309 T CA -1.236 60.803 62.100 -0.102 0.000 1.084 309 T CB 0.681 69.531 68.868 -0.029 0.000 0.975 309 T HN 0.176 nan 8.240 nan 0.000 0.509 310 P HA 0.169 nan 4.420 nan 0.000 0.265 310 P C -2.144 175.082 177.300 -0.123 0.000 1.193 310 P CA -0.993 62.044 63.100 -0.105 0.000 0.765 310 P CB -0.389 31.274 31.700 -0.063 0.000 0.823 311 P HA -0.016 nan 4.420 nan 0.000 0.267 311 P C -0.327 176.914 177.300 -0.098 0.000 1.205 311 P CA 0.125 63.138 63.100 -0.145 0.000 0.765 311 P CB 0.437 32.013 31.700 -0.208 0.000 0.828 312 D N 5.536 125.907 120.400 -0.047 0.000 2.455 312 D HA -0.039 4.600 4.640 -0.002 0.000 0.265 312 D C -0.971 175.314 176.300 -0.024 0.000 1.284 312 D CA -1.574 52.410 54.000 -0.027 0.000 0.944 312 D CB 0.309 41.102 40.800 -0.013 0.000 1.121 312 D HN 0.249 nan 8.370 nan 0.000 0.525 313 P HA -0.101 nan 4.420 nan 0.000 0.236 313 P C 0.535 177.847 177.300 0.019 0.000 1.172 313 P CA 0.463 63.566 63.100 0.006 0.000 0.759 313 P CB 0.176 31.882 31.700 0.010 0.000 0.843 314 A N -0.674 122.150 122.820 0.006 0.000 2.251 314 A HA 0.147 4.466 4.320 -0.002 0.000 0.209 314 A C 2.001 179.586 177.584 0.002 0.000 1.187 314 A CA 0.113 52.152 52.037 0.004 0.000 0.823 314 A CB -0.979 18.019 19.000 -0.003 0.000 0.846 314 A HN 0.156 nan 8.150 nan 0.000 0.486 315 L N -0.710 120.515 121.223 0.004 0.000 2.446 315 L HA 0.022 4.361 4.340 -0.002 0.000 0.219 315 L C 0.508 177.386 176.870 0.013 0.000 1.116 315 L CA 0.391 55.231 54.840 0.000 0.000 0.844 315 L CB -0.047 42.008 42.059 -0.007 0.000 0.970 315 L HN 0.223 nan 8.230 nan 0.000 0.457 316 D N 0.555 120.980 120.400 0.042 0.000 2.413 316 D HA 0.011 4.650 4.640 -0.002 0.000 0.237 316 D C 0.457 176.796 176.300 0.064 0.000 1.171 316 D CA 0.164 54.221 54.000 0.096 0.000 0.839 316 D CB 0.120 41.059 40.800 0.233 0.000 0.950 316 D HN 0.361 nan 8.370 nan 0.000 0.499 317 E N 0.541 120.753 120.200 0.021 0.000 2.398 317 E HA 0.154 4.503 4.350 -0.002 0.000 0.263 317 E C -0.491 176.097 176.600 -0.020 0.000 1.046 317 E CA -0.139 56.256 56.400 -0.007 0.000 0.908 317 E CB 1.119 30.807 29.700 -0.020 0.000 0.963 317 E HN -0.167 nan 8.360 nan 0.000 0.431 318 V N 4.220 124.110 119.914 -0.040 0.000 2.547 318 V HA 0.303 4.422 4.120 -0.002 0.000 0.299 318 V C 0.665 176.707 176.094 -0.087 0.000 1.040 318 V CA -0.697 61.570 62.300 -0.055 0.000 0.913 318 V CB 1.533 33.321 31.823 -0.058 0.000 0.992 318 V HN 0.726 nan 8.190 nan 0.000 0.449 319 R N 2.207 122.627 120.500 -0.134 0.000 2.971 319 R HA 0.066 4.405 4.340 -0.002 0.000 0.278 319 R C 0.071 176.278 176.300 -0.155 0.000 1.022 319 R CA -0.280 55.691 56.100 -0.215 0.000 1.187 319 R CB 0.324 30.352 30.300 -0.455 0.000 1.126 319 R HN 0.784 nan 8.270 nan 0.000 0.510 320 K N 1.637 121.939 120.400 -0.162 0.000 2.294 320 K HA 0.077 4.396 4.320 -0.002 0.000 0.288 320 K C -0.355 176.195 176.600 -0.084 0.000 1.072 320 K CA -0.196 56.028 56.287 -0.105 0.000 0.960 320 K CB 0.913 33.357 32.500 -0.095 0.000 1.043 320 K HN 0.340 nan 8.250 nan 0.000 0.455 353 S N 1.098 116.818 115.700 0.034 0.000 2.505 353 S HA 0.889 5.358 4.470 -0.002 0.000 0.273 353 S C 0.314 174.888 174.600 -0.043 0.000 1.123 353 S CA 0.241 58.451 58.200 0.018 0.000 1.006 353 S CB 1.755 64.989 63.200 0.056 0.000 1.243 353 S HN 0.653 nan 8.310 nan 0.000 0.498 354 L N -3.246 117.948 121.223 -0.048 0.000 3.329 354 L HA 0.537 4.876 4.340 -0.002 0.000 0.222 354 L C -0.479 176.323 176.870 -0.113 0.000 1.876 354 L CA -0.839 53.896 54.840 -0.175 0.000 1.997 354 L CB 0.218 42.176 42.059 -0.168 0.000 1.937 354 L HN 0.501 nan 8.230 nan 0.000 0.576 355 W N 1.822 123.151 121.300 0.048 0.000 3.433 355 W HA 0.252 4.911 4.660 -0.001 0.000 0.376 355 W C -0.532 176.010 176.519 0.038 0.000 1.160 355 W CA -0.046 57.325 57.345 0.043 0.000 1.832 355 W CB -0.563 28.927 29.460 0.049 0.000 1.011 355 W HN 0.453 nan 8.180 nan 0.000 0.766 356 D N 0.224 120.744 120.400 0.199 0.000 3.163 356 D HA 0.131 4.770 4.640 -0.002 0.000 0.284 356 D C -0.523 175.850 176.300 0.122 0.000 1.368 356 D CA 0.344 54.432 54.000 0.147 0.000 0.895 356 D CB 0.099 40.970 40.800 0.117 0.000 1.061 356 D HN -0.211 nan 8.370 nan 0.000 0.496 357 C N 0.631 120.002 119.300 0.119 0.000 3.171 357 C HA 0.172 4.631 4.460 -0.002 0.000 0.336 357 C C 0.172 175.211 174.990 0.083 0.000 1.035 357 C CA -0.793 58.278 59.018 0.088 0.000 1.361 357 C CB -0.199 27.551 27.740 0.016 0.000 1.804 357 C HN 0.332 nan 8.230 nan 0.000 0.535 358 D N 1.561 122.011 120.400 0.084 0.000 2.319 358 D HA 0.069 4.708 4.640 -0.002 0.000 0.230 358 D C 0.900 177.239 176.300 0.066 0.000 1.094 358 D CA 0.219 54.261 54.000 0.071 0.000 0.856 358 D CB 0.166 41.002 40.800 0.059 0.000 0.915 358 D HN 0.361 nan 8.370 nan 0.000 0.517 359 R N 1.774 122.316 120.500 0.070 0.000 2.539 359 R HA 0.126 4.465 4.340 -0.002 0.000 0.275 359 R C -0.226 176.116 176.300 0.071 0.000 1.077 359 R CA -0.478 55.663 56.100 0.068 0.000 1.097 359 R CB 0.393 30.747 30.300 0.090 0.000 1.018 359 R HN -0.274 nan 8.270 nan 0.000 0.483 360 K N 3.659 124.104 120.400 0.074 0.000 2.355 360 K HA 0.032 4.351 4.320 -0.002 0.000 0.270 360 K C -0.139 176.544 176.600 0.138 0.000 1.003 360 K CA -0.092 56.264 56.287 0.115 0.000 0.957 360 K CB 0.086 32.650 32.500 0.107 0.000 0.939 360 K HN 0.540 nan 8.250 nan 0.000 0.482 361 F N 3.393 123.379 119.950 0.060 0.000 2.443 361 F HA 0.145 4.671 4.527 -0.002 0.000 0.353 361 F C 0.530 176.435 175.800 0.174 0.000 1.101 361 F CA -0.132 57.892 58.000 0.041 0.000 1.226 361 F CB 0.622 39.572 39.000 -0.082 0.000 1.140 361 F HN 0.519 nan 8.300 nan 0.000 0.557 362 R N 4.690 124.686 120.500 -0.840 0.000 2.740 362 R HA 0.823 5.162 4.340 -0.002 0.000 0.273 362 R C -2.284 173.722 176.300 -0.491 0.000 0.998 362 R CA -1.205 54.687 56.100 -0.347 0.000 0.900 362 R CB 1.826 32.138 30.300 0.020 0.000 1.223 362 R HN 0.581 nan 8.270 nan 0.000 0.466 363 V N 1.210 121.113 119.914 -0.019 0.000 2.686 363 V HA 0.450 4.569 4.120 -0.002 0.000 0.306 363 V C -1.207 174.852 176.094 -0.059 0.000 1.065 363 V CA -0.882 61.406 62.300 -0.021 0.000 0.894 363 V CB 2.081 33.956 31.823 0.088 0.000 1.004 363 V HN 0.859 nan 8.190 nan 0.000 0.424 364 K N 6.599 126.764 120.400 -0.392 0.000 2.262 364 K HA 0.468 4.787 4.320 -0.002 0.000 0.282 364 K C -0.664 175.749 176.600 -0.311 0.000 1.066 364 K CA -0.703 55.200 56.287 -0.640 0.000 0.901 364 K CB 0.780 32.504 32.500 -1.294 0.000 1.089 364 K HN 0.638 nan 8.250 nan 0.000 0.476 365 I N 6.937 127.385 120.570 -0.204 0.000 2.224 365 I HA 0.104 4.273 4.170 -0.002 0.000 0.293 365 I C 1.367 177.473 176.117 -0.017 0.000 1.155 365 I CA -0.066 61.165 61.300 -0.115 0.000 1.297 365 I CB -0.034 37.856 38.000 -0.183 0.000 1.487 365 I HN 0.687 nan 8.210 nan 0.000 0.564 366 R N 3.134 123.613 120.500 -0.036 0.000 2.083 366 R HA 0.039 4.378 4.340 -0.002 0.000 0.237 366 R C 1.010 177.390 176.300 0.134 0.000 1.137 366 R CA 0.974 57.083 56.100 0.015 0.000 0.951 366 R CB -0.021 30.259 30.300 -0.033 0.000 0.851 366 R HN 0.672 nan 8.270 nan 0.000 0.434 367 G N 0.326 109.221 108.800 0.158 0.000 2.313 367 G HA2 0.337 4.296 3.960 -0.002 0.000 0.296 367 G HA3 0.337 4.296 3.960 -0.002 0.000 0.296 367 G C -1.622 173.383 174.900 0.174 0.000 1.356 367 G CA -0.755 44.499 45.100 0.257 0.000 0.833 367 G HN 0.207 nan 8.290 nan 0.000 0.552 368 I N -1.775 118.913 120.570 0.198 0.000 2.436 368 I HA 0.792 4.961 4.170 -0.002 0.000 0.289 368 I C -1.729 174.417 176.117 0.048 0.000 1.010 368 I CA -0.869 60.495 61.300 0.107 0.000 1.098 368 I CB 2.404 40.505 38.000 0.168 0.000 1.266 368 I HN 0.367 nan 8.210 nan 0.000 0.434 369 D N 6.661 127.048 120.400 -0.022 0.000 2.471 369 D HA 0.425 5.064 4.640 -0.002 0.000 0.245 369 D C -1.228 175.030 176.300 -0.070 0.000 1.116 369 D CA -0.395 53.582 54.000 -0.039 0.000 0.853 369 D CB 1.583 42.358 40.800 -0.042 0.000 1.123 369 D HN 0.569 nan 8.370 nan 0.000 0.540 370 I N 5.825 126.350 120.570 -0.075 0.000 2.354 370 I HA 0.357 4.526 4.170 -0.002 0.000 0.292 370 I C -1.792 174.275 176.117 -0.083 0.000 0.989 370 I CA -2.770 58.466 61.300 -0.107 0.000 1.188 370 I CB 1.848 39.766 38.000 -0.137 0.000 1.342 370 I HN 0.349 nan 8.210 nan 0.000 0.457 371 P HA -0.110 nan 4.420 nan 0.000 0.212 371 P C -0.195 177.070 177.300 -0.058 0.000 1.178 371 P CA 1.138 64.207 63.100 -0.051 0.000 0.915 371 P CB 0.217 31.893 31.700 -0.041 0.000 0.788 372 V N -0.470 119.411 119.914 -0.055 0.000 2.577 372 V HA 0.193 4.312 4.120 -0.002 0.000 0.303 372 V C 0.292 176.351 176.094 -0.059 0.000 1.042 372 V CA -1.056 61.211 62.300 -0.054 0.000 0.872 372 V CB 1.809 33.612 31.823 -0.033 0.000 0.998 372 V HN -0.080 nan 8.190 nan 0.000 0.423 380 T N 0.951 115.606 114.554 0.169 0.000 2.923 380 T HA 0.781 5.130 4.350 -0.002 0.000 0.281 380 T C -1.067 173.697 174.700 0.107 0.000 0.995 380 T CA -0.370 61.835 62.100 0.176 0.000 0.985 380 T CB 1.467 70.438 68.868 0.171 0.000 1.114 380 T HN 0.209 nan 8.240 nan 0.000 0.548 381 V N 3.184 123.186 119.914 0.147 0.000 2.817 381 V HA 0.636 4.755 4.120 -0.002 0.000 0.303 381 V C -1.267 175.058 176.094 0.385 0.000 1.151 381 V CA -0.841 61.489 62.300 0.051 0.000 0.929 381 V CB 1.659 33.253 31.823 -0.382 0.000 1.030 381 V HN 0.870 nan 8.190 nan 0.000 0.427 382 F N 3.854 123.902 119.950 0.164 0.000 2.588 382 F HA 0.940 5.466 4.527 -0.002 0.000 0.314 382 F C -0.848 174.911 175.800 -0.068 0.000 1.069 382 F CA -1.301 56.749 58.000 0.084 0.000 0.931 382 F CB 1.548 40.580 39.000 0.053 0.000 1.260 382 F HN 0.185 nan 8.300 nan 0.000 0.465 383 V N 1.411 121.170 119.914 -0.258 0.000 2.481 383 V HA 0.344 4.463 4.120 -0.002 0.000 0.286 383 V C -0.526 175.562 176.094 -0.009 0.000 1.042 383 V CA -0.585 61.565 62.300 -0.250 0.000 0.928 383 V CB 1.405 32.986 31.823 -0.404 0.000 0.986 383 V HN 0.898 nan 8.190 nan 0.000 0.462 384 E N 3.251 123.478 120.200 0.046 0.000 2.207 384 E HA 0.607 4.956 4.350 -0.002 0.000 0.250 384 E C -0.510 176.171 176.600 0.136 0.000 0.890 384 E CA -0.580 55.925 56.400 0.176 0.000 0.749 384 E CB 1.287 31.208 29.700 0.368 0.000 1.193 384 E HN 0.847 nan 8.360 nan 0.000 0.423 385 A N 4.710 127.617 122.820 0.145 0.000 2.331 385 A HA 0.461 4.780 4.320 -0.002 0.000 0.283 385 A C -0.492 177.307 177.584 0.358 0.000 1.142 385 A CA -0.547 51.644 52.037 0.256 0.000 0.812 385 A CB 0.490 19.728 19.000 0.396 0.000 1.074 385 A HN 0.682 nan 8.150 nan 0.000 0.497 386 N N 2.058 120.922 118.700 0.273 0.000 2.371 386 N HA 0.274 5.013 4.740 -0.002 0.000 0.291 386 N C -1.267 174.299 175.510 0.093 0.000 1.053 386 N CA -0.524 52.669 53.050 0.238 0.000 0.870 386 N CB 1.677 40.246 38.487 0.138 0.000 1.503 386 N HN 0.429 nan 8.380 nan 0.000 0.485 387 I N 2.346 122.947 120.570 0.050 0.000 2.329 387 I HA 0.132 4.301 4.170 -0.002 0.000 0.295 387 I C 0.733 176.821 176.117 -0.048 0.000 1.109 387 I CA 0.173 61.392 61.300 -0.137 0.000 1.297 387 I CB -0.258 37.596 38.000 -0.243 0.000 1.433 387 I HN 0.296 nan 8.210 nan 0.000 0.509 388 Q N 4.841 124.607 119.800 -0.056 0.000 2.204 388 Q HA 0.456 4.795 4.340 -0.002 0.000 0.254 388 Q C -0.435 175.564 176.000 -0.001 0.000 0.981 388 Q CA -0.629 55.158 55.803 -0.026 0.000 0.897 388 Q CB 2.457 31.167 28.738 -0.047 0.000 1.273 388 Q HN 0.461 nan 8.270 nan 0.000 0.464 389 H N -0.534 118.464 119.070 -0.121 0.000 3.278 389 H HA 0.193 4.748 4.556 -0.002 0.000 0.326 389 H C -0.474 174.728 175.328 -0.210 0.000 1.113 389 H CA 0.610 56.556 56.048 -0.171 0.000 1.553 389 H CB 0.779 30.454 29.762 -0.145 0.000 1.997 389 H HN 0.874 nan 8.280 nan 0.000 0.456 390 G N 5.018 113.535 108.800 -0.472 0.000 2.350 390 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.298 390 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.298 390 G C 0.600 175.362 174.900 -0.230 0.000 1.037 390 G CA 0.913 45.784 45.100 -0.381 0.000 1.074 390 G HN 0.838 nan 8.290 nan 0.000 0.511 391 Q N -2.389 117.313 119.800 -0.164 0.000 2.264 391 Q HA -0.297 4.042 4.340 -0.002 0.000 0.207 391 Q C 0.869 176.828 176.000 -0.068 0.000 0.702 391 Q CA 2.163 57.902 55.803 -0.105 0.000 1.411 391 Q CB -0.599 28.071 28.738 -0.113 0.000 1.717 391 Q HN 0.984 nan 8.270 nan 0.000 0.683 392 Q N 1.001 120.770 119.800 -0.052 0.000 2.331 392 Q HA 0.433 4.772 4.340 -0.002 0.000 0.257 392 Q C -0.723 175.290 176.000 0.021 0.000 0.957 392 Q CA -0.194 55.609 55.803 -0.000 0.000 0.923 392 Q CB 1.507 30.274 28.738 0.049 0.000 1.212 392 Q HN 0.129 nan 8.270 nan 0.000 0.443 393 V N 6.941 126.866 119.914 0.018 0.000 2.455 393 V HA 0.117 4.236 4.120 -0.002 0.000 0.273 393 V C 0.451 176.567 176.094 0.037 0.000 1.045 393 V CA 0.177 62.495 62.300 0.030 0.000 0.976 393 V CB 0.348 32.192 31.823 0.034 0.000 0.993 393 V HN 0.968 nan 8.190 nan 0.000 0.475 394 L N 5.506 126.755 121.223 0.043 0.000 2.228 394 L HA 0.280 4.619 4.340 -0.002 0.000 0.196 394 L C 1.046 177.962 176.870 0.076 0.000 1.162 394 L CA 0.479 55.342 54.840 0.039 0.000 0.801 394 L CB -0.252 41.815 42.059 0.014 0.000 0.983 394 L HN 0.541 nan 8.230 nan 0.000 0.471 395 C N -0.751 118.630 119.300 0.136 0.000 2.486 395 C HA 0.620 5.079 4.460 -0.002 0.000 0.348 395 C C -0.419 174.793 174.990 0.371 0.000 1.203 395 C CA -0.320 58.854 59.018 0.260 0.000 1.911 395 C CB 1.494 29.483 27.740 0.415 0.000 2.340 395 C HN 0.563 nan 8.230 nan 0.000 0.511 396 Q N 2.643 122.603 119.800 0.267 0.000 2.386 396 Q HA 0.699 5.038 4.340 -0.002 0.000 0.274 396 Q C -1.508 174.375 176.000 -0.195 0.000 1.011 396 Q CA -0.681 55.217 55.803 0.158 0.000 0.867 396 Q CB 1.377 30.180 28.738 0.108 0.000 1.409 396 Q HN 0.637 nan 8.270 nan 0.000 0.395 397 R N 1.300 121.601 120.500 -0.331 0.000 2.869 397 R HA 0.691 5.030 4.340 -0.002 0.000 0.263 397 R C -0.807 175.400 176.300 -0.155 0.000 1.066 397 R CA -0.762 55.110 56.100 -0.380 0.000 0.960 397 R CB 2.127 31.996 30.300 -0.718 0.000 1.221 397 R HN 0.888 nan 8.270 nan 0.000 0.474 398 R N -0.920 119.496 120.500 -0.140 0.000 2.846 398 R HA 0.567 4.906 4.340 -0.002 0.000 0.263 398 R C -0.766 175.460 176.300 -0.124 0.000 1.080 398 R CA -0.717 55.345 56.100 -0.063 0.000 0.961 398 R CB 2.212 32.462 30.300 -0.083 0.000 1.231 398 R HN 0.798 nan 8.270 nan 0.000 0.465 399 T N -1.804 112.673 114.554 -0.129 0.000 2.907 399 T HA 0.339 4.688 4.350 -0.002 0.000 0.292 399 T C -0.119 174.583 174.700 0.003 0.000 1.043 399 T CA -0.948 61.001 62.100 -0.251 0.000 1.003 399 T CB 1.604 69.922 68.868 -0.916 0.000 1.084 399 T HN 0.589 nan 8.240 nan 0.000 0.483 400 S N 1.847 117.659 115.700 0.186 0.000 2.575 400 S HA 0.184 4.653 4.470 -0.002 0.000 0.295 400 S C -2.589 172.289 174.600 0.463 0.000 1.267 400 S CA -0.831 57.539 58.200 0.284 0.000 1.074 400 S CB -0.777 62.596 63.200 0.288 0.000 0.829 400 S HN 0.602 nan 8.310 nan 0.000 0.497 401 P HA 0.174 nan 4.420 nan 0.000 0.263 401 P C -0.203 177.259 177.300 0.270 0.000 1.247 401 P CA 0.204 63.494 63.100 0.317 0.000 0.876 401 P CB 0.166 31.958 31.700 0.153 0.000 0.928 402 K N 4.803 125.390 120.400 0.312 0.000 2.185 402 K HA 0.468 4.787 4.320 -0.002 0.000 0.240 402 K C -2.339 174.305 176.600 0.073 0.000 0.983 402 K CA -2.387 53.932 56.287 0.052 0.000 0.873 402 K CB 0.845 33.153 32.500 -0.321 0.000 1.118 402 K HN 0.232 nan 8.250 nan 0.000 0.441 403 P HA -0.074 nan 4.420 nan 0.000 0.268 403 P C -0.716 176.685 177.300 0.168 0.000 1.204 403 P CA 0.049 63.200 63.100 0.085 0.000 0.768 403 P CB 0.252 31.969 31.700 0.028 0.000 0.842 404 F N 4.936 124.904 119.950 0.029 0.000 2.464 404 F HA 0.257 4.783 4.527 -0.002 0.000 0.353 404 F C 0.436 176.245 175.800 0.015 0.000 1.191 404 F CA -0.290 57.735 58.000 0.041 0.000 1.147 404 F CB -0.607 38.441 39.000 0.080 0.000 1.294 404 F HN 0.260 nan 8.300 nan 0.000 0.583 405 T N 1.663 116.212 114.554 -0.008 0.000 2.907 405 T HA 0.323 4.672 4.350 -0.002 0.000 0.290 405 T C 0.889 175.479 174.700 -0.183 0.000 1.066 405 T CA -0.767 61.236 62.100 -0.161 0.000 1.012 405 T CB 1.536 70.356 68.868 -0.079 0.000 1.184 405 T HN 0.304 nan 8.240 nan 0.000 0.522 406 E N 0.473 120.565 120.200 -0.180 0.000 2.208 406 E HA -0.150 4.199 4.350 -0.002 0.000 0.202 406 E C 0.553 177.107 176.600 -0.076 0.000 1.014 406 E CA 1.444 57.761 56.400 -0.138 0.000 0.819 406 E CB -0.017 29.619 29.700 -0.105 0.000 0.735 406 E HN 0.841 nan 8.360 nan 0.000 0.469 407 E N -0.249 119.915 120.200 -0.059 0.000 2.278 407 E HA 0.355 4.704 4.350 -0.002 0.000 0.272 407 E C -1.641 174.929 176.600 -0.050 0.000 0.890 407 E CA -0.354 56.024 56.400 -0.037 0.000 0.770 407 E CB 1.917 31.590 29.700 -0.044 0.000 1.212 407 E HN -0.221 nan 8.360 nan 0.000 0.415 408 V N 6.198 126.089 119.914 -0.040 0.000 2.357 408 V HA 0.305 4.425 4.120 -0.002 0.000 0.281 408 V C 0.166 176.129 176.094 -0.219 0.000 1.015 408 V CA -0.592 61.596 62.300 -0.187 0.000 0.827 408 V CB 0.852 32.551 31.823 -0.207 0.000 1.018 408 V HN 0.684 nan 8.190 nan 0.000 0.432 409 L N 3.172 124.255 121.223 -0.234 0.000 2.479 409 L HA 0.450 4.790 4.340 -0.002 0.000 0.249 409 L C 0.855 177.605 176.870 -0.201 0.000 1.178 409 L CA 0.179 54.955 54.840 -0.107 0.000 0.811 409 L CB 0.889 42.901 42.059 -0.077 0.000 1.187 409 L HN 0.614 nan 8.230 nan 0.000 0.480 410 W N -0.993 120.302 121.300 -0.009 0.000 4.740 410 W HA 0.025 4.684 4.660 -0.002 0.000 0.160 410 W C 0.764 177.270 176.519 -0.021 0.000 1.012 410 W CA 0.012 57.354 57.345 -0.004 0.000 1.686 410 W CB -0.002 29.458 29.460 -0.000 0.000 0.528 410 W HN 0.627 nan 8.180 nan 0.000 1.041 411 N N 0.743 119.555 118.700 0.187 0.000 2.681 411 N HA -0.182 4.557 4.740 -0.002 0.000 0.250 411 N C -0.751 174.773 175.510 0.023 0.000 1.133 411 N CA 0.886 53.957 53.050 0.035 0.000 0.732 411 N CB -0.974 37.534 38.487 0.035 0.000 1.107 411 N HN -0.188 nan 8.380 nan 0.000 0.559 412 V N 0.870 120.835 119.914 0.086 0.000 2.383 412 V HA 0.253 4.372 4.120 -0.002 0.000 0.275 412 V C 0.397 176.500 176.094 0.016 0.000 1.036 412 V CA -0.521 61.837 62.300 0.096 0.000 0.889 412 V CB 0.333 32.246 31.823 0.149 0.000 0.985 412 V HN 0.209 nan 8.190 nan 0.000 0.459 413 W N 5.429 126.741 121.300 0.020 0.000 2.216 413 W HA 0.385 5.044 4.660 -0.002 0.000 0.326 413 W C 0.097 176.600 176.519 -0.026 0.000 1.319 413 W CA -0.237 57.105 57.345 -0.004 0.000 1.213 413 W CB 0.444 29.899 29.460 -0.007 0.000 1.171 413 W HN 0.329 nan 8.180 nan 0.000 0.557 414 L N 3.756 125.110 121.223 0.218 0.000 2.277 414 L HA 0.215 4.554 4.340 -0.002 0.000 0.284 414 L C -0.034 176.919 176.870 0.139 0.000 1.028 414 L CA -0.798 54.092 54.840 0.083 0.000 0.835 414 L CB 0.961 43.040 42.059 0.033 0.000 1.215 414 L HN 0.336 nan 8.230 nan 0.000 0.425 415 E N 3.204 123.439 120.200 0.059 0.000 2.130 415 E HA 0.341 4.690 4.350 -0.002 0.000 0.284 415 E C -0.873 175.757 176.600 0.051 0.000 1.018 415 E CA -0.191 56.264 56.400 0.092 0.000 0.817 415 E CB 0.625 30.348 29.700 0.039 0.000 1.078 415 E HN 0.144 nan 8.360 nan 0.000 0.396 416 F N 1.783 121.782 119.950 0.081 0.000 2.348 416 F HA 0.258 4.784 4.527 -0.002 0.000 0.308 416 F C 1.808 177.656 175.800 0.081 0.000 1.175 416 F CA -0.280 57.787 58.000 0.112 0.000 1.080 416 F CB 0.919 40.049 39.000 0.216 0.000 1.341 416 F HN 0.473 nan 8.300 nan 0.000 0.518 417 S N -0.235 115.634 115.700 0.282 0.000 2.492 417 S HA 0.210 4.679 4.470 -0.002 0.000 0.218 417 S C 0.865 175.555 174.600 0.150 0.000 1.016 417 S CA -0.255 58.038 58.200 0.155 0.000 0.916 417 S CB -0.170 63.086 63.200 0.093 0.000 0.791 417 S HN 0.394 nan 8.310 nan 0.000 0.513 418 I N 1.403 122.089 120.570 0.194 0.000 3.393 418 I HA 0.121 4.290 4.170 -0.002 0.000 0.221 418 I C -0.366 175.824 176.117 0.122 0.000 1.310 418 I CA 0.123 61.495 61.300 0.120 0.000 0.936 418 I CB 0.441 38.488 38.000 0.077 0.000 1.610 418 I HN 0.092 nan 8.210 nan 0.000 0.896 419 K N 1.918 122.369 120.400 0.084 0.000 2.477 419 K HA 0.302 4.621 4.320 -0.002 0.000 0.255 419 K C 0.525 177.177 176.600 0.086 0.000 0.952 419 K CA -0.938 55.404 56.287 0.091 0.000 0.826 419 K CB 1.954 34.494 32.500 0.066 0.000 1.331 419 K HN 0.288 nan 8.250 nan 0.000 0.437 420 I N 2.075 122.703 120.570 0.097 0.000 2.208 420 I HA -0.299 3.870 4.170 -0.002 0.000 0.245 420 I C 2.138 178.317 176.117 0.104 0.000 1.097 420 I CA 1.880 63.227 61.300 0.078 0.000 1.363 420 I CB -1.072 36.944 38.000 0.026 0.000 1.051 420 I HN 0.720 nan 8.210 nan 0.000 0.413 421 K N 0.158 120.647 120.400 0.148 0.000 2.211 421 K HA -0.125 4.194 4.320 -0.002 0.000 0.203 421 K C 1.263 178.009 176.600 0.244 0.000 1.050 421 K CA 1.351 57.812 56.287 0.290 0.000 0.945 421 K CB -0.235 32.413 32.500 0.246 0.000 0.732 421 K HN 0.198 nan 8.250 nan 0.000 0.451 422 D N 1.165 121.630 120.400 0.109 0.000 2.347 422 D HA 0.051 4.690 4.640 -0.002 0.000 0.215 422 D C 0.392 176.721 176.300 0.048 0.000 0.976 422 D CA 0.312 54.341 54.000 0.048 0.000 0.884 422 D CB 0.088 40.890 40.800 0.003 0.000 0.915 422 D HN 0.207 nan 8.370 nan 0.000 0.526 423 L N 3.474 124.726 121.223 0.050 0.000 2.534 423 L HA 0.105 4.444 4.340 -0.002 0.000 0.271 423 L C -1.922 174.999 176.870 0.086 0.000 1.178 423 L CA -1.079 53.762 54.840 0.001 0.000 0.907 423 L CB 0.172 42.185 42.059 -0.077 0.000 1.164 423 L HN -0.164 nan 8.230 nan 0.000 0.482 424 P HA 0.102 nan 4.420 nan 0.000 0.282 424 P C -0.933 176.471 177.300 0.174 0.000 1.249 424 P CA -0.892 62.307 63.100 0.166 0.000 0.806 424 P CB 1.131 32.899 31.700 0.113 0.000 0.984 425 K N 1.882 122.410 120.400 0.212 0.000 2.163 425 K HA 0.286 4.605 4.320 -0.002 0.000 0.267 425 K C 0.916 177.611 176.600 0.159 0.000 1.098 425 K CA 0.950 57.313 56.287 0.127 0.000 1.062 425 K CB -1.536 31.018 32.500 0.090 0.000 1.033 425 K HN 0.774 nan 8.250 nan 0.000 0.396 426 G N 2.094 110.971 108.800 0.128 0.000 2.977 426 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.211 426 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.211 426 G C 0.122 174.958 174.900 -0.108 0.000 0.994 426 G CA -0.243 44.846 45.100 -0.019 0.000 0.795 426 G HN 0.839 nan 8.290 nan 0.000 0.518 427 A N 0.618 123.452 122.820 0.025 0.000 2.587 427 A HA 0.488 4.807 4.320 -0.002 0.000 0.235 427 A C 0.177 177.680 177.584 -0.136 0.000 1.044 427 A CA 1.094 53.116 52.037 -0.025 0.000 0.754 427 A CB 0.284 19.248 19.000 -0.061 0.000 0.968 427 A HN 1.501 nan 8.150 nan 0.000 0.509 428 L N 3.048 124.179 121.223 -0.152 0.000 2.365 428 L HA 0.624 4.963 4.340 -0.002 0.000 0.273 428 L C -0.860 175.913 176.870 -0.161 0.000 1.000 428 L CA -1.110 53.630 54.840 -0.166 0.000 0.819 428 L CB 1.682 43.646 42.059 -0.159 0.000 1.284 428 L HN 0.699 nan 8.230 nan 0.000 0.418 429 L N 5.866 126.991 121.223 -0.165 0.000 2.302 429 L HA 0.342 4.682 4.340 -0.002 0.000 0.285 429 L C -0.333 176.500 176.870 -0.062 0.000 1.090 429 L CA 0.256 55.012 54.840 -0.140 0.000 0.866 429 L CB 0.187 42.157 42.059 -0.149 0.000 1.244 429 L HN 0.667 nan 8.230 nan 0.000 0.435 430 N N 6.224 124.910 118.700 -0.022 0.000 2.414 430 N HA 0.226 4.965 4.740 -0.002 0.000 0.256 430 N C -1.386 174.157 175.510 0.054 0.000 1.029 430 N CA -0.379 52.685 53.050 0.023 0.000 0.948 430 N CB 0.768 39.265 38.487 0.017 0.000 1.102 430 N HN 0.658 nan 8.380 nan 0.000 0.496 431 L N 2.946 124.204 121.223 0.059 0.000 2.296 431 L HA 0.402 4.741 4.340 -0.002 0.000 0.286 431 L C 0.073 176.973 176.870 0.050 0.000 1.023 431 L CA -0.557 54.311 54.840 0.048 0.000 0.812 431 L CB 1.625 43.693 42.059 0.015 0.000 1.223 431 L HN 0.449 nan 8.230 nan 0.000 0.421 432 Q N 3.871 123.674 119.800 0.004 0.000 2.451 432 Q HA 0.673 5.012 4.340 -0.002 0.000 0.281 432 Q C -1.276 174.594 176.000 -0.216 0.000 1.099 432 Q CA -0.825 54.921 55.803 -0.095 0.000 0.806 432 Q CB 3.466 32.095 28.738 -0.182 0.000 1.419 432 Q HN 0.498 nan 8.270 nan 0.000 0.427 433 I N 1.752 122.122 120.570 -0.332 0.000 2.439 433 I HA 0.363 4.532 4.170 -0.002 0.000 0.285 433 I C -1.375 174.389 176.117 -0.589 0.000 1.021 433 I CA -0.683 60.403 61.300 -0.358 0.000 1.091 433 I CB 1.013 38.968 38.000 -0.076 0.000 1.242 433 I HN 0.515 nan 8.210 nan 0.000 0.439 434 Y N 4.711 124.613 120.300 -0.663 0.000 2.387 434 Y HA 0.450 4.999 4.550 -0.002 0.000 0.330 434 Y C 0.855 176.469 175.900 -0.477 0.000 1.133 434 Y CA -0.569 57.178 58.100 -0.589 0.000 1.152 434 Y CB 1.398 39.397 38.460 -0.769 0.000 1.215 434 Y HN 0.706 nan 8.280 nan 0.000 0.466 435 C N 0.022 119.263 119.300 -0.099 0.000 2.638 435 C HA 0.973 5.432 4.460 -0.002 0.000 0.348 435 C C 0.850 175.889 174.990 0.081 0.000 1.860 435 C CA -0.098 58.865 59.018 -0.091 0.000 1.955 435 C CB 0.201 27.913 27.740 -0.046 0.000 1.922 435 C HN 0.975 nan 8.230 nan 0.000 0.519 460 L N 1.806 123.048 121.223 0.030 0.000 2.380 460 L HA 0.349 4.688 4.340 -0.002 0.000 0.273 460 L C -0.236 176.440 176.870 -0.324 0.000 1.138 460 L CA 0.067 54.641 54.840 -0.444 0.000 0.832 460 L CB 0.954 42.745 42.059 -0.446 0.000 1.124 460 L HN 0.808 nan 8.230 nan 0.000 0.454 461 L N 3.652 124.616 121.223 -0.431 0.000 2.666 461 L HA 0.279 4.618 4.340 -0.002 0.000 0.184 461 L C -0.699 175.732 176.870 -0.732 0.000 1.092 461 L CA -0.338 54.148 54.840 -0.590 0.000 0.857 461 L CB 0.130 41.778 42.059 -0.686 0.000 1.281 461 L HN 0.419 nan 8.230 nan 0.000 0.489 462 Y N -0.162 120.080 120.300 -0.097 0.000 2.409 462 Y HA 0.515 5.064 4.550 -0.002 0.000 0.343 462 Y C -0.768 175.110 175.900 -0.036 0.000 0.973 462 Y CA -1.340 56.721 58.100 -0.065 0.000 1.064 462 Y CB 1.358 39.774 38.460 -0.073 0.000 1.207 462 Y HN 0.016 nan 8.280 nan 0.000 0.452 463 Y N 0.369 120.743 120.300 0.124 0.000 2.524 463 Y HA 0.885 5.434 4.550 -0.002 0.000 0.347 463 Y C -1.866 174.144 175.900 0.182 0.000 1.005 463 Y CA -1.645 56.498 58.100 0.071 0.000 1.025 463 Y CB 1.525 39.990 38.460 0.007 0.000 1.275 463 Y HN 0.554 nan 8.280 nan 0.000 0.460 464 V N 3.159 123.208 119.914 0.226 0.000 3.087 464 V HA 0.574 4.693 4.120 -0.002 0.000 0.306 464 V C -1.841 174.356 176.094 0.172 0.000 1.187 464 V CA -0.749 61.660 62.300 0.181 0.000 0.999 464 V CB 2.463 34.291 31.823 0.008 0.000 1.049 464 V HN 1.027 nan 8.190 nan 0.000 0.431 465 N N 3.120 121.917 118.700 0.161 0.000 2.381 465 N HA 0.788 5.527 4.740 -0.002 0.000 0.294 465 N C -1.725 173.788 175.510 0.005 0.000 1.216 465 N CA -0.421 52.672 53.050 0.073 0.000 0.803 465 N CB 2.481 41.015 38.487 0.078 0.000 1.372 465 N HN 0.601 nan 8.380 nan 0.000 0.500 466 L N 0.863 122.044 121.223 -0.070 0.000 2.639 466 L HA 0.411 4.750 4.340 -0.002 0.000 0.264 466 L C -1.547 175.235 176.870 -0.146 0.000 0.948 466 L CA -0.325 54.428 54.840 -0.144 0.000 0.912 466 L CB 1.264 43.135 42.059 -0.313 0.000 1.294 466 L HN 0.458 nan 8.230 nan 0.000 0.412 467 L N 6.143 127.304 121.223 -0.102 0.000 2.530 467 L HA 0.100 4.439 4.340 -0.002 0.000 0.273 467 L C 1.341 178.151 176.870 -0.100 0.000 1.141 467 L CA 0.122 54.893 54.840 -0.116 0.000 0.905 467 L CB 0.466 42.470 42.059 -0.091 0.000 1.202 467 L HN 0.787 nan 8.230 nan 0.000 0.473 468 L N 4.402 125.536 121.223 -0.148 0.000 2.042 468 L HA -0.122 4.217 4.340 -0.002 0.000 0.210 468 L C 0.789 177.614 176.870 -0.075 0.000 1.076 468 L CA 1.339 56.083 54.840 -0.161 0.000 0.749 468 L CB -0.236 41.648 42.059 -0.292 0.000 0.893 468 L HN 0.505 nan 8.230 nan 0.000 0.432 469 I N 0.173 120.723 120.570 -0.032 0.000 2.377 469 I HA 0.120 4.289 4.170 -0.002 0.000 0.293 469 I C -0.344 175.819 176.117 0.077 0.000 0.987 469 I CA -0.871 60.429 61.300 0.001 0.000 1.185 469 I CB 1.509 39.505 38.000 -0.008 0.000 1.341 469 I HN 0.106 nan 8.210 nan 0.000 0.455 470 D N 3.944 124.337 120.400 -0.012 0.000 2.466 470 D HA 0.079 4.718 4.640 -0.002 0.000 0.262 470 D C 1.268 177.382 176.300 -0.310 0.000 1.177 470 D CA -0.210 53.781 54.000 -0.016 0.000 1.035 470 D CB 0.358 41.055 40.800 -0.172 0.000 1.105 470 D HN 0.556 nan 8.370 nan 0.000 0.551 471 H N -0.435 118.440 119.070 -0.325 0.000 2.489 471 H HA -0.053 4.502 4.556 -0.002 0.000 0.295 471 H C 0.606 175.634 175.328 -0.499 0.000 1.082 471 H CA 0.870 56.554 56.048 -0.607 0.000 1.295 471 H CB -0.401 29.007 29.762 -0.590 0.000 1.380 471 H HN 0.367 nan 8.280 nan 0.000 0.548 472 R N -0.102 120.055 120.500 -0.571 0.000 2.515 472 R HA 0.088 4.427 4.340 -0.002 0.000 0.294 472 R C -0.358 176.001 176.300 0.098 0.000 1.021 472 R CA -0.382 55.589 56.100 -0.215 0.000 1.081 472 R CB -0.063 30.037 30.300 -0.333 0.000 1.263 472 R HN 0.068 nan 8.270 nan 0.000 0.557 473 F N -0.031 119.756 119.950 -0.272 0.000 3.100 473 F HA -0.275 4.251 4.527 -0.002 0.000 0.284 473 F C -0.120 175.590 175.800 -0.150 0.000 0.875 473 F CA 0.449 58.341 58.000 -0.181 0.000 1.039 473 F CB -1.851 37.054 39.000 -0.159 0.000 1.111 473 F HN 0.090 nan 8.300 nan 0.000 0.575 474 L N 0.676 121.882 121.223 -0.029 0.000 2.309 474 L HA 0.505 4.844 4.340 -0.002 0.000 0.282 474 L C 0.358 177.235 176.870 0.012 0.000 1.036 474 L CA -1.332 53.507 54.840 -0.002 0.000 0.806 474 L CB 1.360 43.419 42.059 -0.000 0.000 1.220 474 L HN -0.016 nan 8.230 nan 0.000 0.429 475 L N 3.369 124.616 121.223 0.039 0.000 2.499 475 L HA 0.135 4.474 4.340 -0.002 0.000 0.273 475 L C 0.547 177.454 176.870 0.063 0.000 1.195 475 L CA 0.384 55.243 54.840 0.033 0.000 0.882 475 L CB 0.335 42.410 42.059 0.027 0.000 1.133 475 L HN 0.556 nan 8.230 nan 0.000 0.483 476 R N 3.751 124.281 120.500 0.050 0.000 2.694 476 R HA 0.494 4.833 4.340 -0.002 0.000 0.268 476 R C -0.406 175.975 176.300 0.136 0.000 1.061 476 R CA 0.016 56.164 56.100 0.081 0.000 1.133 476 R CB 0.463 30.754 30.300 -0.014 0.000 1.020 476 R HN 0.860 nan 8.270 nan 0.000 0.475 477 R N 1.505 122.138 120.500 0.222 0.000 2.728 477 R HA 0.560 4.899 4.340 -0.002 0.000 0.274 477 R C -1.030 175.448 176.300 0.296 0.000 1.032 477 R CA 0.210 56.446 56.100 0.226 0.000 0.866 477 R CB 0.799 31.176 30.300 0.129 0.000 1.263 477 R HN 0.912 nan 8.270 nan 0.000 0.475 478 G N 1.133 110.056 108.800 0.204 0.000 2.548 478 G HA2 -0.055 3.905 3.960 -0.002 0.000 0.208 478 G HA3 -0.055 3.905 3.960 -0.002 0.000 0.208 478 G C -1.478 173.456 174.900 0.056 0.000 1.308 478 G CA -0.284 44.862 45.100 0.077 0.000 0.924 478 G HN 0.633 nan 8.290 nan 0.000 0.540 479 E N -0.202 119.899 120.200 -0.164 0.000 2.266 479 E HA 0.629 4.978 4.350 -0.002 0.000 0.277 479 E C -1.173 175.161 176.600 -0.443 0.000 1.018 479 E CA -0.067 56.236 56.400 -0.162 0.000 0.840 479 E CB 1.570 31.188 29.700 -0.136 0.000 1.082 479 E HN 0.413 nan 8.360 nan 0.000 0.395 480 Y N -0.532 119.727 120.300 -0.067 0.000 2.470 480 Y HA 0.248 4.797 4.550 -0.002 0.000 0.341 480 Y C -0.285 175.553 175.900 -0.103 0.000 1.021 480 Y CA -0.832 57.216 58.100 -0.088 0.000 1.025 480 Y CB 1.956 40.337 38.460 -0.131 0.000 1.266 480 Y HN 0.113 nan 8.280 nan 0.000 0.448 481 V N 4.934 124.851 119.914 0.006 0.000 2.313 481 V HA 0.281 4.400 4.120 -0.002 0.000 0.262 481 V C -0.869 175.119 176.094 -0.176 0.000 1.011 481 V CA -0.651 61.588 62.300 -0.102 0.000 0.858 481 V CB -0.271 31.479 31.823 -0.122 0.000 1.104 481 V HN 0.480 nan 8.190 nan 0.000 0.456 482 L N 2.236 123.378 121.223 -0.135 0.000 2.380 482 L HA 0.471 4.810 4.340 -0.002 0.000 0.273 482 L C 0.524 177.210 176.870 -0.307 0.000 1.138 482 L CA 0.073 54.832 54.840 -0.136 0.000 0.832 482 L CB -0.221 41.796 42.059 -0.071 0.000 1.124 482 L HN 0.376 nan 8.230 nan 0.000 0.454 483 H N 4.146 123.114 119.070 -0.170 0.000 2.640 483 H HA 0.416 4.971 4.556 -0.002 0.000 0.297 483 H C -0.146 174.920 175.328 -0.437 0.000 1.073 483 H CA -0.296 55.589 56.048 -0.272 0.000 1.305 483 H CB 0.962 30.555 29.762 -0.282 0.000 1.404 483 H HN 0.599 nan 8.280 nan 0.000 0.459 484 M N 2.127 121.560 119.600 -0.279 0.000 2.163 484 M HA 0.158 4.637 4.480 -0.002 0.000 0.305 484 M C -0.289 175.771 176.300 -0.401 0.000 1.166 484 M CA 0.015 55.120 55.300 -0.326 0.000 1.132 484 M CB 0.926 33.454 32.600 -0.120 0.000 1.413 484 M HN 0.401 nan 8.290 nan 0.000 0.478 485 W N 0.382 121.464 121.300 -0.364 0.000 2.512 485 W HA 0.479 5.138 4.660 -0.002 0.000 0.335 485 W C -0.220 176.153 176.519 -0.244 0.000 1.088 485 W CA -0.508 56.610 57.345 -0.378 0.000 1.236 485 W CB 0.692 29.770 29.460 -0.636 0.000 1.307 485 W HN 0.460 nan 8.180 nan 0.000 0.567 486 Q N 2.995 122.919 119.800 0.207 0.000 2.307 486 Q HA 0.333 4.672 4.340 -0.002 0.000 0.262 486 Q C -0.300 175.757 176.000 0.095 0.000 0.961 486 Q CA -0.796 55.069 55.803 0.102 0.000 0.882 486 Q CB 0.878 29.715 28.738 0.165 0.000 1.264 486 Q HN 0.336 nan 8.270 nan 0.000 0.446 487 I N 2.739 123.329 120.570 0.033 0.000 2.815 487 I HA -0.063 4.106 4.170 -0.002 0.000 0.291 487 I C 0.943 177.087 176.117 0.046 0.000 1.209 487 I CA 0.627 61.974 61.300 0.080 0.000 1.431 487 I CB 0.535 38.536 38.000 0.001 0.000 1.351 487 I HN 0.746 nan 8.210 nan 0.000 0.585 498 N N 1.428 120.211 118.700 0.139 0.000 2.563 498 N HA 0.532 5.271 4.740 -0.002 0.000 0.288 498 N C 0.279 175.813 175.510 0.039 0.000 1.246 498 N CA 0.200 53.286 53.050 0.060 0.000 0.946 498 N CB 0.919 39.410 38.487 0.006 0.000 1.213 498 N HN 0.159 nan 8.380 nan 0.000 0.578 499 A N -0.799 122.053 122.820 0.054 0.000 2.119 499 A HA -0.041 4.278 4.320 -0.002 0.000 0.217 499 A C 0.964 178.581 177.584 0.056 0.000 1.153 499 A CA 1.064 53.138 52.037 0.060 0.000 0.692 499 A CB -0.679 18.236 19.000 -0.142 0.000 0.799 499 A HN 0.707 nan 8.150 nan 0.000 0.458 500 D N -0.162 120.192 120.400 -0.077 0.000 2.234 500 D HA -0.019 4.620 4.640 -0.002 0.000 0.205 500 D C 1.594 177.769 176.300 -0.209 0.000 0.962 500 D CA 0.879 54.726 54.000 -0.256 0.000 0.855 500 D CB -0.059 40.347 40.800 -0.657 0.000 0.951 500 D HN 0.401 nan 8.370 nan 0.000 0.500 501 K N -0.078 120.173 120.400 -0.249 0.000 2.525 501 K HA 0.112 4.431 4.320 -0.002 0.000 0.192 501 K C 1.206 177.694 176.600 -0.187 0.000 1.029 501 K CA 0.165 56.162 56.287 -0.483 0.000 1.029 501 K CB 0.328 32.427 32.500 -0.668 0.000 0.814 501 K HN 0.190 nan 8.250 nan 0.000 0.503 502 L N -0.037 121.158 121.223 -0.046 0.000 2.585 502 L HA 0.041 4.380 4.340 -0.002 0.000 0.226 502 L C 1.101 177.997 176.870 0.043 0.000 1.113 502 L CA -0.039 54.812 54.840 0.019 0.000 0.876 502 L CB 0.416 42.528 42.059 0.088 0.000 1.072 502 L HN -0.046 nan 8.230 nan 0.000 0.468 503 T N -0.534 114.009 114.554 -0.019 0.000 2.946 503 T HA -0.039 4.310 4.350 -0.002 0.000 0.311 503 T C 1.339 176.033 174.700 -0.009 0.000 1.063 503 T CA 0.522 62.515 62.100 -0.178 0.000 1.139 503 T CB 0.793 69.332 68.868 -0.548 0.000 0.994 503 T HN 0.368 nan 8.240 nan 0.000 0.547 504 S N 3.228 118.917 115.700 -0.020 0.000 2.558 504 S HA 0.366 4.835 4.470 -0.002 0.000 0.217 504 S C 0.943 175.630 174.600 0.145 0.000 0.975 504 S CA -0.064 58.160 58.200 0.040 0.000 0.912 504 S CB 0.027 63.193 63.200 -0.058 0.000 0.776 504 S HN 0.892 nan 8.310 nan 0.000 0.526 505 A N 2.229 125.138 122.820 0.149 0.000 2.366 505 A HA 0.570 4.889 4.320 -0.002 0.000 0.249 505 A C 0.683 178.472 177.584 0.341 0.000 1.084 505 A CA -0.023 52.148 52.037 0.223 0.000 0.794 505 A CB 0.074 19.191 19.000 0.194 0.000 1.034 505 A HN 0.598 nan 8.150 nan 0.000 0.491 506 T N -0.373 114.247 114.554 0.110 0.000 2.945 506 T HA 0.414 4.763 4.350 -0.002 0.000 0.286 506 T C -0.030 174.240 174.700 -0.716 0.000 1.025 506 T CA -0.969 61.003 62.100 -0.214 0.000 1.039 506 T CB 0.876 69.709 68.868 -0.058 0.000 1.068 506 T HN 0.548 nan 8.240 nan 0.000 0.497 507 N N 2.897 120.841 118.700 -1.259 0.000 2.438 507 N HA 0.136 4.875 4.740 -0.002 0.000 0.267 507 N C -1.297 173.862 175.510 -0.585 0.000 1.222 507 N CA -2.037 50.206 53.050 -1.344 0.000 0.930 507 N CB 0.960 38.789 38.487 -1.097 0.000 1.083 507 N HN 0.432 nan 8.380 nan 0.000 0.476 508 P HA -0.049 nan 4.420 nan 0.000 0.237 508 P C -0.112 177.047 177.300 -0.234 0.000 1.178 508 P CA 0.495 63.462 63.100 -0.222 0.000 0.766 508 P CB 0.316 31.966 31.700 -0.083 0.000 0.876 509 D N 1.126 121.365 120.400 -0.268 0.000 2.619 509 D HA 0.051 4.690 4.640 -0.002 0.000 0.224 509 D C 0.850 176.952 176.300 -0.329 0.000 1.133 509 D CA -0.141 53.727 54.000 -0.221 0.000 1.017 509 D CB -0.058 40.652 40.800 -0.149 0.000 1.077 509 D HN 0.037 nan 8.370 nan 0.000 0.503 510 K N 0.642 120.779 120.400 -0.438 0.000 2.574 510 K HA -0.063 4.256 4.320 -0.002 0.000 0.193 510 K C 1.067 177.475 176.600 -0.321 0.000 1.035 510 K CA 0.638 56.516 56.287 -0.681 0.000 0.982 510 K CB 0.533 32.659 32.500 -0.622 0.000 0.795 510 K HN 0.414 nan 8.250 nan 0.000 0.491 511 E N -0.020 120.062 120.200 -0.196 0.000 2.307 511 E HA 0.039 4.388 4.350 -0.002 0.000 0.195 511 E C 1.068 177.622 176.600 -0.076 0.000 0.975 511 E CA 0.382 56.717 56.400 -0.108 0.000 0.878 511 E CB 0.375 30.026 29.700 -0.082 0.000 0.845 511 E HN 0.275 nan 8.360 nan 0.000 0.488 512 N N 0.360 119.012 118.700 -0.080 0.000 2.193 512 N HA 0.012 4.751 4.740 -0.002 0.000 0.210 512 N C 0.186 175.670 175.510 -0.044 0.000 1.215 512 N CA 0.174 53.197 53.050 -0.045 0.000 0.901 512 N CB 1.011 39.485 38.487 -0.022 0.000 1.060 512 N HN -0.034 nan 8.380 nan 0.000 0.508 513 S N 0.925 116.581 115.700 -0.073 0.000 2.584 513 S HA 0.390 4.859 4.470 -0.002 0.000 0.273 513 S C 0.335 174.884 174.600 -0.086 0.000 1.311 513 S CA -0.678 57.477 58.200 -0.073 0.000 1.034 513 S CB 1.499 64.625 63.200 -0.122 0.000 0.939 513 S HN 0.123 nan 8.310 nan 0.000 0.513 514 M N 2.911 122.354 119.600 -0.262 0.000 2.248 514 M HA 0.383 4.862 4.480 -0.002 0.000 0.337 514 M C 0.016 176.174 176.300 -0.236 0.000 1.121 514 M CA 0.664 55.716 55.300 -0.413 0.000 1.155 514 M CB 0.763 32.733 32.600 -1.049 0.000 1.514 514 M HN 0.787 nan 8.290 nan 0.000 0.452 515 S N 3.679 119.246 115.700 -0.221 0.000 2.536 515 S HA 0.813 5.282 4.470 -0.002 0.000 0.298 515 S C -1.347 173.132 174.600 -0.202 0.000 1.083 515 S CA -0.901 57.121 58.200 -0.298 0.000 0.995 515 S CB 0.999 64.008 63.200 -0.318 0.000 1.058 515 S HN 0.756 nan 8.310 nan 0.000 0.488 516 I N 3.076 123.526 120.570 -0.201 0.000 2.468 516 I HA 0.520 4.689 4.170 -0.002 0.000 0.285 516 I C -0.928 175.134 176.117 -0.092 0.000 1.039 516 I CA 0.141 61.378 61.300 -0.105 0.000 1.074 516 I CB 1.784 39.733 38.000 -0.084 0.000 1.228 516 I HN 0.470 nan 8.210 nan 0.000 0.436 517 S N 8.352 124.020 115.700 -0.054 0.000 2.457 517 S HA 0.766 5.235 4.470 -0.002 0.000 0.289 517 S C -0.191 174.390 174.600 -0.032 0.000 1.163 517 S CA -0.529 57.645 58.200 -0.043 0.000 1.078 517 S CB 0.664 63.842 63.200 -0.038 0.000 0.987 517 S HN 0.648 nan 8.310 nan 0.000 0.482 518 I N 0.226 120.784 120.570 -0.021 0.000 3.343 518 I HA 0.877 5.046 4.170 -0.002 0.000 0.315 518 I C -1.888 174.210 176.117 -0.032 0.000 1.153 518 I CA -1.436 59.838 61.300 -0.043 0.000 0.952 518 I CB 1.921 39.906 38.000 -0.026 0.000 1.287 518 I HN 0.499 nan 8.210 nan 0.000 0.472 519 L N 2.377 123.540 121.223 -0.100 0.000 2.482 519 L HA 0.658 4.997 4.340 -0.002 0.000 0.263 519 L C -2.140 174.682 176.870 -0.079 0.000 0.957 519 L CA -0.321 54.463 54.840 -0.094 0.000 0.836 519 L CB 1.977 43.898 42.059 -0.230 0.000 1.324 519 L HN 0.622 nan 8.230 nan 0.000 0.406 520 L N 4.624 125.895 121.223 0.080 0.000 2.322 520 L HA 0.461 4.800 4.340 -0.002 0.000 0.281 520 L C -0.589 176.422 176.870 0.234 0.000 1.014 520 L CA -0.366 54.559 54.840 0.142 0.000 0.815 520 L CB 1.430 43.599 42.059 0.184 0.000 1.247 520 L HN 0.790 nan 8.230 nan 0.000 0.421 521 D N 1.907 122.508 120.400 0.334 0.000 2.795 521 D HA -0.177 4.462 4.640 -0.002 0.000 0.221 521 D C -0.520 175.964 176.300 0.306 0.000 1.108 521 D CA 0.338 54.560 54.000 0.370 0.000 0.832 521 D CB 0.294 41.237 40.800 0.238 0.000 1.183 521 D HN 0.429 nan 8.370 nan 0.000 0.503 522 N N 2.077 120.944 118.700 0.278 0.000 2.444 522 N HA 0.313 5.052 4.740 -0.002 0.000 0.271 522 N C -0.816 174.831 175.510 0.228 0.000 1.069 522 N CA -0.234 52.938 53.050 0.203 0.000 0.965 522 N CB 0.758 39.316 38.487 0.118 0.000 1.092 522 N HN 0.425 nan 8.380 nan 0.000 0.476 523 Y N -0.062 120.247 120.300 0.015 0.000 3.118 523 Y HA 0.442 4.991 4.550 -0.002 0.000 0.255 523 Y C 0.812 176.700 175.900 -0.020 0.000 2.080 523 Y CA -0.562 57.541 58.100 0.005 0.000 0.883 523 Y CB 0.281 38.754 38.460 0.021 0.000 1.413 523 Y HN 0.505 nan 8.280 nan 0.000 0.559 524 C N -2.211 117.212 119.300 0.205 0.000 3.162 524 C HA 0.375 4.834 4.460 -0.002 0.000 0.220 524 C C -0.709 174.277 174.990 -0.006 0.000 2.475 524 C CA 0.298 59.359 59.018 0.072 0.000 1.361 524 C CB 0.374 28.179 27.740 0.108 0.000 1.251 524 C HN 0.671 nan 8.230 nan 0.000 0.734 525 H N -0.100 119.035 119.070 0.109 0.000 3.212 525 H HA 0.249 4.804 4.556 -0.002 0.000 0.214 525 H C -2.936 172.412 175.328 0.033 0.000 1.287 525 H CA -0.856 55.228 56.048 0.061 0.000 1.391 525 H CB 0.362 30.147 29.762 0.037 0.000 2.270 525 H HN 0.266 nan 8.280 nan 0.000 0.582 526 P HA 0.213 nan 4.420 nan 0.000 0.271 526 P C 0.004 177.318 177.300 0.022 0.000 1.216 526 P CA 0.230 63.362 63.100 0.054 0.000 0.776 526 P CB 1.193 32.885 31.700 -0.014 0.000 0.881 527 I N 1.350 121.890 120.570 -0.050 0.000 2.582 527 I HA 0.483 4.652 4.170 -0.002 0.000 0.292 527 I C -0.147 175.845 176.117 -0.207 0.000 1.066 527 I CA -1.271 59.976 61.300 -0.088 0.000 1.053 527 I CB 2.297 40.239 38.000 -0.096 0.000 1.241 527 I HN 0.233 nan 8.210 nan 0.000 0.421 528 A N 7.388 130.113 122.820 -0.159 0.000 2.350 528 A HA 0.546 4.865 4.320 -0.002 0.000 0.293 528 A C -0.216 177.200 177.584 -0.281 0.000 1.231 528 A CA -0.302 51.556 52.037 -0.298 0.000 0.883 528 A CB -0.116 18.870 19.000 -0.024 0.000 1.133 528 A HN 0.663 nan 8.150 nan 0.000 0.533 529 L N 3.913 124.751 121.223 -0.641 0.000 2.410 529 L HA 0.207 4.546 4.340 -0.002 0.000 0.273 529 L C -1.978 174.789 176.870 -0.172 0.000 1.152 529 L CA -1.568 53.028 54.840 -0.408 0.000 0.855 529 L CB 0.622 42.436 42.059 -0.407 0.000 1.129 529 L HN 0.467 nan 8.230 nan 0.000 0.463 530 P HA 0.048 nan 4.420 nan 0.000 0.267 530 P C -0.663 176.707 177.300 0.117 0.000 1.328 530 P CA -0.209 62.869 63.100 -0.038 0.000 0.990 530 P CB 0.071 31.617 31.700 -0.258 0.000 1.168 531 K N 3.563 124.140 120.400 0.295 0.000 2.578 531 K HA -0.093 4.226 4.320 -0.002 0.000 0.279 531 K C 1.234 177.988 176.600 0.256 0.000 0.983 531 K CA 0.415 56.940 56.287 0.396 0.000 1.078 531 K CB 0.117 32.893 32.500 0.459 0.000 0.852 531 K HN 0.628 nan 8.250 nan 0.000 0.490 547 M N 0.392 119.891 119.600 -0.169 0.000 2.605 547 M HA 0.560 5.039 4.480 -0.002 0.000 0.281 547 M C -2.875 173.348 176.300 -0.127 0.000 1.166 547 M CA -1.882 53.294 55.300 -0.206 0.000 0.875 547 M CB 1.741 34.013 32.600 -0.547 0.000 1.732 547 M HN -0.040 nan 8.290 nan 0.000 0.504 548 P HA 0.096 nan 4.420 nan 0.000 0.260 548 P C 0.003 177.277 177.300 -0.043 0.000 1.172 548 P CA 0.168 63.249 63.100 -0.031 0.000 0.760 548 P CB 0.381 32.086 31.700 0.008 0.000 0.773 549 N N 2.490 121.169 118.700 -0.034 0.000 2.091 549 N HA -0.221 4.518 4.740 -0.002 0.000 0.193 549 N C 1.481 176.978 175.510 -0.022 0.000 1.021 549 N CA 1.240 54.271 53.050 -0.032 0.000 0.862 549 N CB -0.172 38.301 38.487 -0.023 0.000 1.018 549 N HN 0.531 nan 8.380 nan 0.000 0.429 550 Q N 0.290 120.084 119.800 -0.010 0.000 2.226 550 Q HA -0.070 4.269 4.340 -0.002 0.000 0.204 550 Q C 1.752 177.758 176.000 0.010 0.000 0.975 550 Q CA 0.727 56.529 55.803 -0.000 0.000 0.866 550 Q CB -0.006 28.735 28.738 0.005 0.000 0.915 550 Q HN 0.247 nan 8.270 nan 0.000 0.440 551 L N -0.257 120.974 121.223 0.012 0.000 2.162 551 L HA -0.037 4.302 4.340 -0.002 0.000 0.205 551 L C 2.406 179.280 176.870 0.007 0.000 1.086 551 L CA 1.141 56.008 54.840 0.046 0.000 0.778 551 L CB -0.667 41.448 42.059 0.092 0.000 0.928 551 L HN 0.065 nan 8.230 nan 0.000 0.446 552 R N 0.224 120.693 120.500 -0.052 0.000 2.080 552 R HA -0.154 4.185 4.340 -0.002 0.000 0.236 552 R C 2.133 178.411 176.300 -0.037 0.000 1.137 552 R CA 1.561 57.618 56.100 -0.072 0.000 0.943 552 R CB -0.215 30.041 30.300 -0.073 0.000 0.846 552 R HN 0.076 nan 8.270 nan 0.000 0.431 553 K N 0.339 120.724 120.400 -0.025 0.000 2.211 553 K HA -0.214 4.105 4.320 -0.002 0.000 0.204 553 K C 2.057 178.652 176.600 -0.009 0.000 1.047 553 K CA 1.677 57.952 56.287 -0.019 0.000 0.935 553 K CB -0.160 32.331 32.500 -0.014 0.000 0.728 553 K HN 0.476 nan 8.250 nan 0.000 0.452 554 Q N 0.430 120.235 119.800 0.008 0.000 2.137 554 Q HA -0.078 4.261 4.340 -0.002 0.000 0.198 554 Q C 2.060 178.078 176.000 0.029 0.000 0.960 554 Q CA 0.600 56.416 55.803 0.023 0.000 0.847 554 Q CB 0.068 28.831 28.738 0.042 0.000 0.915 554 Q HN 0.103 nan 8.270 nan 0.000 0.448 555 L N 1.001 122.247 121.223 0.038 0.000 2.027 555 L HA -0.124 4.215 4.340 -0.002 0.000 0.206 555 L C 1.813 178.675 176.870 -0.014 0.000 1.074 555 L CA 1.846 56.713 54.840 0.046 0.000 0.745 555 L CB -0.306 41.794 42.059 0.068 0.000 0.898 555 L HN 0.219 nan 8.230 nan 0.000 0.433 556 E N -0.485 119.683 120.200 -0.053 0.000 2.085 556 E HA -0.269 4.080 4.350 -0.002 0.000 0.194 556 E C 2.123 178.687 176.600 -0.060 0.000 0.994 556 E CA 1.234 57.575 56.400 -0.099 0.000 0.801 556 E CB -0.385 29.257 29.700 -0.096 0.000 0.743 556 E HN 0.616 nan 8.360 nan 0.000 0.453 557 A N 0.955 123.757 122.820 -0.031 0.000 2.019 557 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 557 A C 2.122 179.700 177.584 -0.010 0.000 1.164 557 A CA 1.046 53.072 52.037 -0.019 0.000 0.644 557 A CB -0.472 18.522 19.000 -0.009 0.000 0.805 557 A HN 0.157 nan 8.150 nan 0.000 0.449 558 I N -0.578 119.990 120.570 -0.003 0.000 2.333 558 I HA -0.156 4.013 4.170 -0.002 0.000 0.246 558 I C 2.146 178.271 176.117 0.012 0.000 1.106 558 I CA 0.922 62.229 61.300 0.011 0.000 1.411 558 I CB -0.217 37.798 38.000 0.025 0.000 1.082 558 I HN 0.281 nan 8.210 nan 0.000 0.420 559 I N 1.014 121.581 120.570 -0.005 0.000 2.315 559 I HA -0.177 3.992 4.170 -0.002 0.000 0.248 559 I C 2.022 178.140 176.117 0.003 0.000 1.117 559 I CA 0.888 62.188 61.300 0.000 0.000 1.404 559 I CB -0.398 37.569 38.000 -0.056 0.000 1.071 559 I HN 0.116 nan 8.210 nan 0.000 0.419 560 A N 0.815 123.624 122.820 -0.019 0.000 2.503 560 A HA 0.226 4.545 4.320 -0.002 0.000 0.263 560 A C 0.505 178.086 177.584 -0.005 0.000 1.360 560 A CA 0.071 52.099 52.037 -0.014 0.000 0.969 560 A CB -0.804 18.178 19.000 -0.029 0.000 1.000 560 A HN 0.234 nan 8.150 nan 0.000 0.530 561 T N 1.118 115.676 114.554 0.007 0.000 2.945 561 T HA 0.379 4.728 4.350 -0.002 0.000 0.286 561 T C -0.091 174.618 174.700 0.015 0.000 1.025 561 T CA -0.677 61.427 62.100 0.007 0.000 1.039 561 T CB 1.190 70.065 68.868 0.011 0.000 1.068 561 T HN 0.587 nan 8.240 nan 0.000 0.497 562 D N 1.221 121.625 120.400 0.007 0.000 2.361 562 D HA 0.065 4.704 4.640 -0.002 0.000 0.239 562 D C -2.023 174.293 176.300 0.028 0.000 1.200 562 D CA -1.474 52.532 54.000 0.010 0.000 0.915 562 D CB 0.483 41.278 40.800 -0.009 0.000 1.170 562 D HN 0.093 nan 8.370 nan 0.000 0.444 563 P HA -0.055 nan 4.420 nan 0.000 0.216 563 P C 1.602 178.929 177.300 0.046 0.000 1.150 563 P CA 0.890 64.024 63.100 0.057 0.000 0.837 563 P CB 0.149 31.887 31.700 0.063 0.000 0.786 564 L N -1.805 119.435 121.223 0.029 0.000 2.395 564 L HA -0.027 4.312 4.340 -0.002 0.000 0.218 564 L C 0.993 177.871 176.870 0.013 0.000 1.130 564 L CA 0.141 54.994 54.840 0.021 0.000 0.826 564 L CB -0.842 41.225 42.059 0.013 0.000 0.941 564 L HN 0.005 nan 8.230 nan 0.000 0.451 565 N N 1.466 120.173 118.700 0.013 0.000 2.442 565 N HA 0.109 4.848 4.740 -0.002 0.000 0.265 565 N C -2.048 173.472 175.510 0.016 0.000 1.138 565 N CA -1.173 51.883 53.050 0.010 0.000 0.956 565 N CB 0.691 39.182 38.487 0.007 0.000 1.067 565 N HN -0.064 nan 8.380 nan 0.000 0.474 566 P HA 0.128 nan 4.420 nan 0.000 0.275 566 P C -0.884 176.425 177.300 0.015 0.000 1.270 566 P CA -0.215 62.893 63.100 0.013 0.000 0.791 566 P CB 0.940 32.645 31.700 0.007 0.000 1.089 567 L N 0.195 121.427 121.223 0.014 0.000 2.381 567 L HA 0.308 4.647 4.340 -0.002 0.000 0.274 567 L C 1.039 177.912 176.870 0.005 0.000 0.988 567 L CA -0.696 54.153 54.840 0.014 0.000 0.824 567 L CB 1.988 44.060 42.059 0.022 0.000 1.263 567 L HN 0.476 nan 8.230 nan 0.000 0.410 568 T N -0.702 113.853 114.554 0.003 0.000 2.726 568 T HA 0.300 4.649 4.350 -0.002 0.000 0.294 568 T C 1.285 175.980 174.700 -0.010 0.000 1.013 568 T CA 0.076 62.173 62.100 -0.004 0.000 0.996 568 T CB 1.450 70.316 68.868 -0.004 0.000 1.016 568 T HN 0.626 nan 8.240 nan 0.000 0.529 569 A N 0.129 122.939 122.820 -0.017 0.000 1.902 569 A HA -0.056 4.263 4.320 -0.002 0.000 0.217 569 A C 2.284 179.852 177.584 -0.026 0.000 1.181 569 A CA 1.969 53.989 52.037 -0.027 0.000 0.623 569 A CB -1.235 17.746 19.000 -0.032 0.000 0.818 569 A HN 1.055 nan 8.150 nan 0.000 0.443 570 E N 0.699 120.886 120.200 -0.021 0.000 2.049 570 E HA -0.251 4.098 4.350 -0.002 0.000 0.198 570 E C 1.407 177.999 176.600 -0.014 0.000 1.007 570 E CA 1.984 58.371 56.400 -0.022 0.000 0.809 570 E CB -0.355 29.336 29.700 -0.015 0.000 0.749 570 E HN 0.516 nan 8.360 nan 0.000 0.450 571 D N 0.280 120.678 120.400 -0.003 0.000 2.103 571 D HA -0.181 4.458 4.640 -0.002 0.000 0.190 571 D C 1.910 178.217 176.300 0.012 0.000 0.997 571 D CA 1.664 55.670 54.000 0.010 0.000 0.833 571 D CB -0.269 40.539 40.800 0.014 0.000 0.961 571 D HN 0.255 nan 8.370 nan 0.000 0.447 572 K N 0.327 120.730 120.400 0.004 0.000 2.032 572 K HA -0.170 4.149 4.320 -0.002 0.000 0.209 572 K C 2.174 178.784 176.600 0.016 0.000 1.048 572 K CA 1.152 57.442 56.287 0.005 0.000 0.927 572 K CB -0.140 32.346 32.500 -0.023 0.000 0.712 572 K HN 0.164 nan 8.250 nan 0.000 0.441 573 E N 0.569 120.764 120.200 -0.008 0.000 2.153 573 E HA -0.180 4.169 4.350 -0.002 0.000 0.194 573 E C 1.887 178.476 176.600 -0.018 0.000 0.988 573 E CA 0.526 56.926 56.400 -0.000 0.000 0.811 573 E CB 0.093 29.767 29.700 -0.043 0.000 0.746 573 E HN 0.092 nan 8.360 nan 0.000 0.466 574 L N 0.269 121.465 121.223 -0.045 0.000 2.044 574 L HA -0.126 4.213 4.340 -0.002 0.000 0.205 574 L C 1.979 178.814 176.870 -0.059 0.000 1.075 574 L CA 1.236 56.021 54.840 -0.092 0.000 0.747 574 L CB -0.449 41.614 42.059 0.005 0.000 0.903 574 L HN 0.192 nan 8.230 nan 0.000 0.435 575 L N -0.863 120.376 121.223 0.028 0.000 1.994 575 L HA -0.260 4.079 4.340 -0.002 0.000 0.208 575 L C 2.286 179.169 176.870 0.021 0.000 1.071 575 L CA 1.995 56.864 54.840 0.048 0.000 0.745 575 L CB -1.502 40.584 42.059 0.044 0.000 0.892 575 L HN 0.590 nan 8.230 nan 0.000 0.431 576 W N -0.100 121.103 121.300 -0.160 0.000 2.322 576 W HA -0.363 4.296 4.660 -0.002 0.000 0.326 576 W C 2.672 179.064 176.519 -0.211 0.000 1.224 576 W CA 1.971 59.192 57.345 -0.207 0.000 1.257 576 W CB -0.717 28.626 29.460 -0.195 0.000 1.174 576 W HN 0.381 nan 8.180 nan 0.000 0.460 577 H N -0.613 118.245 119.070 -0.353 0.000 2.337 577 H HA -0.267 4.288 4.556 -0.002 0.000 0.288 577 H C 1.063 176.091 175.328 -0.501 0.000 1.117 577 H CA 2.702 58.420 56.048 -0.551 0.000 1.205 577 H CB -1.065 28.286 29.762 -0.685 0.000 1.353 577 H HN 0.109 nan 8.280 nan 0.000 0.480 578 F N 0.253 120.122 119.950 -0.136 0.000 2.871 578 F HA 0.177 4.703 4.527 -0.002 0.000 0.317 578 F C 1.488 177.147 175.800 -0.235 0.000 1.193 578 F CA -0.772 57.151 58.000 -0.129 0.000 1.311 578 F CB 0.210 39.203 39.000 -0.012 0.000 1.380 578 F HN -0.002 nan 8.300 nan 0.000 0.557 579 R N 0.002 120.277 120.500 -0.376 0.000 2.113 579 R HA -0.232 4.107 4.340 -0.002 0.000 0.231 579 R C 1.533 177.586 176.300 -0.411 0.000 1.129 579 R CA 2.338 58.066 56.100 -0.620 0.000 0.915 579 R CB -0.882 28.710 30.300 -1.181 0.000 0.837 579 R HN 0.389 nan 8.270 nan 0.000 0.430 580 Y N 0.216 120.393 120.300 -0.205 0.000 2.256 580 Y HA -0.175 4.374 4.550 -0.002 0.000 0.288 580 Y C 2.288 178.147 175.900 -0.068 0.000 1.155 580 Y CA 1.149 59.172 58.100 -0.128 0.000 1.203 580 Y CB -0.412 37.979 38.460 -0.114 0.000 0.980 580 Y HN 0.108 nan 8.280 nan 0.000 0.530 581 E N 0.100 120.383 120.200 0.137 0.000 2.152 581 E HA -0.078 4.271 4.350 -0.002 0.000 0.192 581 E C 2.024 178.707 176.600 0.137 0.000 0.983 581 E CA 1.142 57.599 56.400 0.094 0.000 0.818 581 E CB -0.198 29.524 29.700 0.035 0.000 0.758 581 E HN 0.270 nan 8.360 nan 0.000 0.467 582 S N -0.097 115.660 115.700 0.095 0.000 2.527 582 S HA 0.010 4.479 4.470 -0.002 0.000 0.222 582 S C 1.354 176.002 174.600 0.079 0.000 0.985 582 S CA 0.018 58.283 58.200 0.108 0.000 0.921 582 S CB 0.017 63.213 63.200 -0.007 0.000 0.772 582 S HN 0.156 nan 8.310 nan 0.000 0.529 583 L N 1.681 122.909 121.223 0.008 0.000 2.418 583 L HA 0.201 4.540 4.340 -0.002 0.000 0.218 583 L C 1.474 178.476 176.870 0.220 0.000 1.125 583 L CA 1.395 56.257 54.840 0.036 0.000 0.835 583 L CB -0.285 41.747 42.059 -0.045 0.000 0.953 583 L HN 0.065 nan 8.230 nan 0.000 0.454 584 K N -1.194 119.252 120.400 0.077 0.000 2.487 584 K HA 0.088 4.407 4.320 -0.002 0.000 0.192 584 K C -0.355 176.076 176.600 -0.282 0.000 1.027 584 K CA 0.246 56.471 56.287 -0.104 0.000 1.054 584 K CB 0.013 32.364 32.500 -0.248 0.000 0.824 584 K HN 0.306 nan 8.250 nan 0.000 0.510 585 H N -0.175 119.024 119.070 0.216 0.000 2.866 585 H HA 0.133 4.688 4.556 -0.002 0.000 0.287 585 H C -2.237 173.260 175.328 0.282 0.000 1.106 585 H CA -2.156 54.004 56.048 0.187 0.000 1.396 585 H CB 1.643 31.486 29.762 0.135 0.000 1.469 585 H HN -0.140 nan 8.280 nan 0.000 0.500 586 P HA -0.193 nan 4.420 nan 0.000 0.216 586 P C 1.399 178.867 177.300 0.279 0.000 1.154 586 P CA 1.464 64.652 63.100 0.147 0.000 0.865 586 P CB 0.417 32.145 31.700 0.046 0.000 0.789 587 K N -1.100 119.445 120.400 0.242 0.000 2.519 587 K HA -0.018 4.301 4.320 -0.002 0.000 0.196 587 K C 1.717 178.460 176.600 0.237 0.000 1.041 587 K CA 0.925 57.336 56.287 0.206 0.000 0.954 587 K CB -0.281 32.295 32.500 0.128 0.000 0.774 587 K HN 0.119 nan 8.250 nan 0.000 0.480 588 A N -0.292 122.729 122.820 0.335 0.000 2.169 588 A HA 0.002 4.321 4.320 -0.002 0.000 0.210 588 A C 1.255 179.005 177.584 0.277 0.000 1.168 588 A CA 0.143 52.338 52.037 0.264 0.000 0.813 588 A CB -0.178 18.956 19.000 0.223 0.000 0.861 588 A HN 0.139 nan 8.150 nan 0.000 0.481 589 Y N 0.806 121.159 120.300 0.088 0.000 2.040 589 Y HA -0.165 4.384 4.550 -0.002 0.000 0.275 589 Y C -0.171 175.863 175.900 0.225 0.000 1.171 589 Y CA 2.257 60.414 58.100 0.096 0.000 1.123 589 Y CB -2.008 36.465 38.460 0.020 0.000 0.963 589 Y HN 0.254 nan 8.280 nan 0.000 0.493 590 P HA -0.198 nan 4.420 nan 0.000 0.214 590 P C 1.448 178.989 177.300 0.402 0.000 1.169 590 P CA 2.418 65.709 63.100 0.318 0.000 0.908 590 P CB -0.009 31.839 31.700 0.247 0.000 0.791 591 K N -1.165 119.387 120.400 0.252 0.000 2.147 591 K HA -0.134 4.185 4.320 -0.002 0.000 0.205 591 K C 1.918 178.595 176.600 0.127 0.000 1.049 591 K CA 0.901 57.295 56.287 0.178 0.000 0.936 591 K CB -0.940 31.630 32.500 0.116 0.000 0.722 591 K HN 0.030 nan 8.250 nan 0.000 0.446 592 L N -0.208 121.040 121.223 0.040 0.000 2.027 592 L HA -0.035 4.304 4.340 -0.002 0.000 0.206 592 L C 1.411 178.191 176.870 -0.149 0.000 1.074 592 L CA 1.734 56.476 54.840 -0.164 0.000 0.745 592 L CB -0.458 41.306 42.059 -0.490 0.000 0.898 592 L HN 0.088 nan 8.230 nan 0.000 0.433 593 F N -0.531 119.521 119.950 0.170 0.000 2.771 593 F HA 0.037 4.563 4.527 -0.001 0.000 0.299 593 F C 2.010 178.079 175.800 0.448 0.000 1.177 593 F CA 0.638 58.825 58.000 0.310 0.000 1.450 593 F CB -0.416 38.815 39.000 0.386 0.000 1.114 593 F HN 0.082 nan 8.300 nan 0.000 0.587 594 S N -1.650 114.313 115.700 0.438 0.000 2.535 594 S HA 0.007 4.476 4.470 -0.002 0.000 0.214 594 S C 1.625 176.303 174.600 0.130 0.000 0.980 594 S CA 0.198 58.568 58.200 0.284 0.000 0.907 594 S CB 0.105 63.419 63.200 0.189 0.000 0.790 594 S HN 0.152 nan 8.310 nan 0.000 0.510 595 S N 1.143 116.884 115.700 0.069 0.000 2.556 595 S HA 0.234 4.703 4.470 -0.002 0.000 0.216 595 S C 0.441 174.906 174.600 -0.224 0.000 0.970 595 S CA -0.171 58.008 58.200 -0.034 0.000 0.912 595 S CB 0.293 63.506 63.200 0.022 0.000 0.790 595 S HN 0.184 nan 8.310 nan 0.000 0.504 596 V N 2.831 122.566 119.914 -0.299 0.000 2.583 596 V HA 0.183 4.302 4.120 -0.002 0.000 0.287 596 V C 0.350 175.954 176.094 -0.817 0.000 1.051 596 V CA -0.324 61.493 62.300 -0.805 0.000 1.010 596 V CB 1.185 32.334 31.823 -1.123 0.000 0.988 596 V HN 0.203 nan 8.190 nan 0.000 0.478 597 K N 4.713 124.585 120.400 -0.879 0.000 2.184 597 K HA 0.123 4.442 4.320 -0.002 0.000 0.259 597 K C 0.076 176.343 176.600 -0.554 0.000 1.119 597 K CA 0.000 55.948 56.287 -0.565 0.000 0.991 597 K CB 0.281 32.488 32.500 -0.489 0.000 1.522 597 K HN 0.705 nan 8.250 nan 0.000 0.405 598 W N 0.751 121.840 121.300 -0.351 0.000 2.611 598 W HA -0.035 4.624 4.660 -0.002 0.000 0.251 598 W C 1.788 178.091 176.519 -0.359 0.000 1.265 598 W CA 0.083 57.165 57.345 -0.439 0.000 1.295 598 W CB 0.090 29.056 29.460 -0.823 0.000 1.129 598 W HN 0.602 nan 8.180 nan 0.000 0.630 599 G N -0.098 108.635 108.800 -0.112 0.000 3.124 599 G HA2 0.026 3.985 3.960 -0.002 0.000 0.212 599 G HA3 0.026 3.985 3.960 -0.002 0.000 0.212 599 G C 0.266 175.101 174.900 -0.108 0.000 1.181 599 G CA -0.167 44.879 45.100 -0.091 0.000 0.803 599 G HN 0.195 nan 8.290 nan 0.000 0.529 600 Q N -0.579 119.122 119.800 -0.164 0.000 2.290 600 Q HA 0.204 4.543 4.340 -0.002 0.000 0.269 600 Q C 0.799 176.683 176.000 -0.193 0.000 1.016 600 Q CA -0.607 55.093 55.803 -0.171 0.000 0.754 600 Q CB 1.927 30.538 28.738 -0.213 0.000 1.247 600 Q HN 0.278 nan 8.270 nan 0.000 0.451 601 Q N 1.957 121.660 119.800 -0.162 0.000 2.061 601 Q HA -0.261 4.078 4.340 -0.002 0.000 0.204 601 Q C 0.664 176.488 176.000 -0.293 0.000 0.984 601 Q CA 2.448 58.119 55.803 -0.220 0.000 0.846 601 Q CB 0.103 28.657 28.738 -0.307 0.000 0.902 601 Q HN 0.589 nan 8.270 nan 0.000 0.421 602 E N 0.814 120.856 120.200 -0.264 0.000 2.097 602 E HA -0.160 4.189 4.350 -0.002 0.000 0.196 602 E C 1.935 178.418 176.600 -0.195 0.000 1.000 602 E CA 1.523 57.791 56.400 -0.220 0.000 0.804 602 E CB -0.366 29.240 29.700 -0.157 0.000 0.740 602 E HN 0.373 nan 8.360 nan 0.000 0.454 603 I N 0.407 120.831 120.570 -0.244 0.000 2.163 603 I HA -0.200 3.969 4.170 -0.002 0.000 0.240 603 I C 2.264 178.159 176.117 -0.369 0.000 1.081 603 I CA 0.922 62.031 61.300 -0.318 0.000 1.353 603 I CB -1.074 36.590 38.000 -0.560 0.000 1.054 603 I HN 0.017 nan 8.210 nan 0.000 0.407 604 V N 1.627 121.280 119.914 -0.436 0.000 2.282 604 V HA -0.313 3.806 4.120 -0.002 0.000 0.249 604 V C 2.863 178.643 176.094 -0.524 0.000 1.057 604 V CA 1.975 63.963 62.300 -0.520 0.000 1.032 604 V CB -1.383 30.261 31.823 -0.298 0.000 0.645 604 V HN 0.482 nan 8.190 nan 0.000 0.447 605 A N -0.478 122.154 122.820 -0.313 0.000 1.908 605 A HA -0.281 4.038 4.320 -0.002 0.000 0.218 605 A C 2.324 179.858 177.584 -0.083 0.000 1.181 605 A CA 2.225 54.170 52.037 -0.153 0.000 0.627 605 A CB -0.488 18.415 19.000 -0.161 0.000 0.818 605 A HN 0.561 nan 8.150 nan 0.000 0.445 606 K N -0.959 119.392 120.400 -0.082 0.000 2.057 606 K HA -0.099 4.220 4.320 -0.002 0.000 0.207 606 K C 2.135 178.741 176.600 0.009 0.000 1.049 606 K CA 1.735 58.022 56.287 0.000 0.000 0.931 606 K CB -0.372 32.190 32.500 0.102 0.000 0.714 606 K HN 0.544 nan 8.250 nan 0.000 0.440 607 T N 0.506 115.051 114.554 -0.015 0.000 2.684 607 T HA -0.187 4.162 4.350 -0.002 0.000 0.267 607 T C 1.645 176.425 174.700 0.133 0.000 1.036 607 T CA 1.371 63.481 62.100 0.016 0.000 1.148 607 T CB -0.505 68.246 68.868 -0.195 0.000 0.863 607 T HN 0.321 nan 8.240 nan 0.000 0.436 608 Y N 1.506 121.869 120.300 0.105 0.000 2.403 608 Y HA -0.142 4.407 4.550 -0.001 0.000 0.291 608 Y C 2.888 178.817 175.900 0.049 0.000 1.143 608 Y CA 0.294 58.456 58.100 0.103 0.000 1.257 608 Y CB -0.253 38.274 38.460 0.112 0.000 0.984 608 Y HN 0.336 nan 8.280 nan 0.000 0.550 609 Q N 0.102 119.994 119.800 0.153 0.000 2.083 609 Q HA -0.151 4.188 4.340 -0.002 0.000 0.198 609 Q C 2.253 178.283 176.000 0.050 0.000 0.969 609 Q CA 1.014 56.858 55.803 0.068 0.000 0.838 609 Q CB -0.084 28.667 28.738 0.021 0.000 0.900 609 Q HN 0.532 nan 8.270 nan 0.000 0.436 610 L N 0.328 121.555 121.223 0.007 0.000 2.083 610 L HA -0.200 4.139 4.340 -0.002 0.000 0.209 610 L C 2.098 179.003 176.870 0.060 0.000 1.083 610 L CA 0.946 55.755 54.840 -0.051 0.000 0.752 610 L CB -0.201 41.755 42.059 -0.173 0.000 0.899 610 L HN 0.273 nan 8.230 nan 0.000 0.433 611 L N -0.939 120.370 121.223 0.144 0.000 2.291 611 L HA -0.101 4.238 4.340 -0.002 0.000 0.214 611 L C 2.733 179.675 176.870 0.120 0.000 1.120 611 L CA 0.582 55.516 54.840 0.156 0.000 0.799 611 L CB -0.639 41.528 42.059 0.179 0.000 0.925 611 L HN 0.217 nan 8.230 nan 0.000 0.446 612 A N 0.041 122.923 122.820 0.102 0.000 2.024 612 A HA -0.147 4.172 4.320 -0.002 0.000 0.220 612 A C 1.376 179.009 177.584 0.082 0.000 1.164 612 A CA 1.166 53.250 52.037 0.078 0.000 0.643 612 A CB -0.218 18.816 19.000 0.058 0.000 0.806 612 A HN 0.348 nan 8.150 nan 0.000 0.451 613 R N -0.576 119.981 120.500 0.095 0.000 2.521 613 R HA 0.364 4.703 4.340 -0.002 0.000 0.295 613 R C -0.920 175.458 176.300 0.131 0.000 1.183 613 R CA -0.275 55.885 56.100 0.101 0.000 0.957 613 R CB 0.802 31.154 30.300 0.087 0.000 1.171 613 R HN 0.495 nan 8.270 nan 0.000 0.494 614 R N 2.246 122.843 120.500 0.162 0.000 2.701 614 R HA 0.214 4.553 4.340 -0.002 0.000 0.281 614 R C -0.347 176.086 176.300 0.220 0.000 1.367 614 R CA -0.582 55.659 56.100 0.236 0.000 1.510 614 R CB 0.567 31.062 30.300 0.326 0.000 1.306 614 R HN 0.472 nan 8.270 nan 0.000 0.682 615 E N 0.569 120.858 120.200 0.148 0.000 2.153 615 E HA -0.151 4.198 4.350 -0.002 0.000 0.194 615 E C 1.463 178.123 176.600 0.099 0.000 0.988 615 E CA 1.499 57.961 56.400 0.104 0.000 0.811 615 E CB 0.109 29.849 29.700 0.067 0.000 0.746 615 E HN 0.274 nan 8.360 nan 0.000 0.466 616 V N 1.301 121.294 119.914 0.132 0.000 2.237 616 V HA -0.238 3.881 4.120 -0.002 0.000 0.245 616 V C 2.087 178.243 176.094 0.104 0.000 1.046 616 V CA 1.794 64.157 62.300 0.106 0.000 1.007 616 V CB -0.853 31.049 31.823 0.133 0.000 0.638 616 V HN 0.542 nan 8.190 nan 0.000 0.445 617 W N 1.345 122.636 121.300 -0.015 0.000 2.388 617 W HA -0.149 4.510 4.660 -0.002 0.000 0.294 617 W C 2.035 178.504 176.519 -0.083 0.000 1.212 617 W CA 1.838 59.095 57.345 -0.147 0.000 1.271 617 W CB -0.277 29.046 29.460 -0.229 0.000 1.126 617 W HN 0.351 nan 8.180 nan 0.000 0.535 618 D N 0.128 120.604 120.400 0.126 0.000 2.178 618 D HA -0.186 4.453 4.640 -0.002 0.000 0.201 618 D C 1.985 178.235 176.300 -0.084 0.000 0.980 618 D CA 1.502 55.516 54.000 0.024 0.000 0.842 618 D CB -0.242 40.624 40.800 0.109 0.000 0.948 618 D HN 0.449 nan 8.370 nan 0.000 0.472 619 Q N 0.309 120.068 119.800 -0.068 0.000 2.396 619 Q HA 0.040 4.379 4.340 -0.002 0.000 0.209 619 Q C 0.802 176.725 176.000 -0.130 0.000 0.906 619 Q CA -0.154 55.601 55.803 -0.081 0.000 0.927 619 Q CB 0.573 29.289 28.738 -0.038 0.000 1.069 619 Q HN 0.101 nan 8.270 nan 0.000 0.523 620 S N 0.564 116.154 115.700 -0.183 0.000 2.573 620 S HA 0.358 4.827 4.470 -0.002 0.000 0.277 620 S C 0.272 174.715 174.600 -0.260 0.000 1.346 620 S CA -0.478 57.595 58.200 -0.211 0.000 1.034 620 S CB 1.044 64.092 63.200 -0.253 0.000 0.879 620 S HN 0.239 nan 8.310 nan 0.000 0.528 621 A N 2.558 125.257 122.820 -0.201 0.000 2.462 621 A HA 0.418 4.737 4.320 -0.002 0.000 0.243 621 A C 0.306 177.738 177.584 -0.253 0.000 1.076 621 A CA -0.639 51.285 52.037 -0.188 0.000 0.773 621 A CB -0.238 18.684 19.000 -0.129 0.000 1.010 621 A HN 1.188 nan 8.150 nan 0.000 0.493 622 L N 1.881 122.961 121.223 -0.237 0.000 2.615 622 L HA 0.087 4.426 4.340 -0.002 0.000 0.284 622 L C -0.083 176.658 176.870 -0.215 0.000 1.237 622 L CA 0.992 55.676 54.840 -0.259 0.000 0.905 622 L CB 0.105 42.059 42.059 -0.175 0.000 1.149 622 L HN 0.681 nan 8.230 nan 0.000 0.499 623 D N 4.078 124.331 120.400 -0.244 0.000 2.389 623 D HA 0.132 4.771 4.640 -0.002 0.000 0.256 623 D C 0.898 177.107 176.300 -0.152 0.000 1.239 623 D CA -0.350 53.552 54.000 -0.163 0.000 0.925 623 D CB 1.396 42.111 40.800 -0.141 0.000 1.145 623 D HN 0.450 nan 8.370 nan 0.000 0.542 624 V N 3.458 123.261 119.914 -0.186 0.000 2.282 624 V HA -0.216 3.903 4.120 -0.002 0.000 0.249 624 V C 2.539 178.523 176.094 -0.183 0.000 1.057 624 V CA 2.480 64.616 62.300 -0.273 0.000 1.032 624 V CB -0.489 30.998 31.823 -0.559 0.000 0.645 624 V HN 0.684 nan 8.190 nan 0.000 0.447 625 G N -1.196 107.535 108.800 -0.115 0.000 2.448 625 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 625 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 625 G C 1.590 176.491 174.900 0.002 0.000 1.127 625 G CA 0.915 45.992 45.100 -0.039 0.000 0.766 625 G HN 0.468 nan 8.290 nan 0.000 0.552 626 L N -0.023 121.206 121.223 0.009 0.000 2.168 626 L HA 0.020 4.359 4.340 -0.002 0.000 0.203 626 L C 3.029 179.971 176.870 0.121 0.000 1.078 626 L CA 1.337 56.230 54.840 0.089 0.000 0.780 626 L CB -0.308 41.819 42.059 0.114 0.000 0.939 626 L HN 0.194 nan 8.230 nan 0.000 0.451 627 T N 0.203 114.799 114.554 0.070 0.000 2.684 627 T HA -0.216 4.133 4.350 -0.002 0.000 0.267 627 T C 1.970 176.670 174.700 0.000 0.000 1.036 627 T CA 1.389 63.531 62.100 0.069 0.000 1.148 627 T CB -0.130 68.714 68.868 -0.040 0.000 0.863 627 T HN 0.171 nan 8.240 nan 0.000 0.436 628 M N 1.411 120.993 119.600 -0.031 0.000 2.108 628 M HA -0.109 4.370 4.480 -0.002 0.000 0.261 628 M C 2.417 178.724 176.300 0.013 0.000 1.066 628 M CA 1.520 56.811 55.300 -0.015 0.000 1.107 628 M CB -1.161 31.424 32.600 -0.023 0.000 1.356 628 M HN 0.399 nan 8.290 nan 0.000 0.406 629 Q N 0.196 120.010 119.800 0.024 0.000 2.112 629 Q HA -0.149 4.190 4.340 -0.002 0.000 0.206 629 Q C 1.986 177.988 176.000 0.002 0.000 0.987 629 Q CA 1.194 57.034 55.803 0.062 0.000 0.858 629 Q CB -0.406 28.385 28.738 0.089 0.000 0.905 629 Q HN 0.522 nan 8.270 nan 0.000 0.420 630 L N 0.314 121.413 121.223 -0.206 0.000 2.622 630 L HA -0.069 4.270 4.340 -0.002 0.000 0.233 630 L C 1.617 178.365 176.870 -0.204 0.000 1.156 630 L CA 0.349 54.856 54.840 -0.554 0.000 0.866 630 L CB -0.111 41.644 42.059 -0.506 0.000 0.980 630 L HN 0.205 nan 8.230 nan 0.000 0.448 631 L N -0.466 120.741 121.223 -0.027 0.000 2.728 631 L HA 0.116 4.455 4.340 -0.002 0.000 0.238 631 L C 0.537 177.464 176.870 0.095 0.000 1.143 631 L CA -0.425 54.446 54.840 0.053 0.000 0.937 631 L CB -0.190 41.903 42.059 0.057 0.000 1.225 631 L HN 0.310 nan 8.230 nan 0.000 0.507 632 D N -1.192 119.207 120.400 -0.002 0.000 2.469 632 D HA -0.022 4.617 4.640 -0.002 0.000 0.278 632 D C 1.456 177.366 176.300 -0.650 0.000 1.231 632 D CA -0.328 53.361 54.000 -0.518 0.000 1.075 632 D CB 0.233 40.732 40.800 -0.502 0.000 1.121 632 D HN 0.122 nan 8.370 nan 0.000 0.571 633 C N -1.970 116.624 119.300 -1.177 0.000 2.466 633 C HA 0.103 4.562 4.460 -0.002 0.000 0.283 633 C C 1.205 175.953 174.990 -0.403 0.000 1.472 633 C CA -0.240 58.415 59.018 -0.604 0.000 1.765 633 C CB -1.996 25.464 27.740 -0.467 0.000 1.724 633 C HN 0.476 nan 8.230 nan 0.000 0.560 634 N N -0.649 117.764 118.700 -0.477 0.000 2.383 634 N HA 0.216 4.955 4.740 -0.002 0.000 0.192 634 N C -0.891 173.896 175.510 -1.206 0.000 1.141 634 N CA 0.199 52.792 53.050 -0.761 0.000 0.851 634 N CB 0.122 38.079 38.487 -0.884 0.000 0.976 634 N HN 0.563 nan 8.380 nan 0.000 0.465 635 F N -0.356 119.469 119.950 -0.209 0.000 2.959 635 F HA 0.186 4.712 4.527 -0.002 0.000 0.379 635 F C 0.785 176.381 175.800 -0.341 0.000 1.215 635 F CA -0.856 56.995 58.000 -0.248 0.000 1.190 635 F CB 1.111 40.009 39.000 -0.169 0.000 1.574 635 F HN -0.130 nan 8.300 nan 0.000 0.575 636 S N -0.040 115.382 115.700 -0.464 0.000 2.607 636 S HA -0.046 4.423 4.470 -0.002 0.000 0.224 636 S C 0.140 174.473 174.600 -0.445 0.000 0.969 636 S CA 0.024 57.898 58.200 -0.544 0.000 0.927 636 S CB -0.457 62.204 63.200 -0.899 0.000 0.772 636 S HN 0.579 nan 8.310 nan 0.000 0.533 637 D N 1.244 121.420 120.400 -0.374 0.000 2.249 637 D HA 0.178 4.817 4.640 -0.002 0.000 0.246 637 D C 1.341 177.607 176.300 -0.057 0.000 1.114 637 D CA -0.367 53.516 54.000 -0.195 0.000 0.854 637 D CB 1.200 41.798 40.800 -0.336 0.000 1.132 637 D HN 0.465 nan 8.370 nan 0.000 0.461 638 E N 2.371 122.581 120.200 0.017 0.000 2.150 638 E HA -0.214 4.135 4.350 -0.002 0.000 0.193 638 E C 0.874 177.477 176.600 0.005 0.000 0.985 638 E CA 0.835 57.250 56.400 0.024 0.000 0.814 638 E CB -0.179 29.554 29.700 0.055 0.000 0.752 638 E HN 0.477 nan 8.360 nan 0.000 0.466 639 N N 0.913 119.628 118.700 0.026 0.000 2.084 639 N HA -0.122 4.617 4.740 -0.002 0.000 0.190 639 N C 1.893 177.375 175.510 -0.047 0.000 1.030 639 N CA 1.468 54.513 53.050 -0.008 0.000 0.849 639 N CB -0.001 38.462 38.487 -0.041 0.000 1.012 639 N HN -0.043 nan 8.380 nan 0.000 0.423 640 V N 1.350 121.223 119.914 -0.069 0.000 2.295 640 V HA -0.210 3.909 4.120 -0.002 0.000 0.246 640 V C 2.166 178.075 176.094 -0.308 0.000 1.049 640 V CA 1.648 63.752 62.300 -0.326 0.000 1.024 640 V CB -0.430 31.176 31.823 -0.362 0.000 0.648 640 V HN 0.279 nan 8.190 nan 0.000 0.447 641 R N 0.211 120.603 120.500 -0.180 0.000 2.081 641 R HA -0.123 4.216 4.340 -0.002 0.000 0.235 641 R C 2.352 178.596 176.300 -0.092 0.000 1.131 641 R CA 1.437 57.457 56.100 -0.132 0.000 0.960 641 R CB -0.643 29.625 30.300 -0.053 0.000 0.856 641 R HN 0.527 nan 8.270 nan 0.000 0.436 642 A N 1.878 124.661 122.820 -0.061 0.000 2.070 642 A HA -0.124 4.195 4.320 -0.002 0.000 0.220 642 A C 2.138 179.712 177.584 -0.016 0.000 1.159 642 A CA 1.220 53.241 52.037 -0.028 0.000 0.656 642 A CB -0.725 18.273 19.000 -0.004 0.000 0.800 642 A HN 0.532 nan 8.150 nan 0.000 0.453 643 I N -3.823 116.719 120.570 -0.046 0.000 2.761 643 I HA 0.077 4.246 4.170 -0.002 0.000 0.261 643 I C 2.102 178.330 176.117 0.185 0.000 1.198 643 I CA 1.145 62.476 61.300 0.050 0.000 1.482 643 I CB -0.264 37.663 38.000 -0.121 0.000 1.100 643 I HN 0.151 nan 8.210 nan 0.000 0.445 644 A N 1.612 124.463 122.820 0.052 0.000 1.874 644 A HA 0.016 4.335 4.320 -0.002 0.000 0.214 644 A C 2.313 179.880 177.584 -0.028 0.000 1.189 644 A CA 1.476 53.571 52.037 0.096 0.000 0.615 644 A CB -0.953 18.041 19.000 -0.009 0.000 0.830 644 A HN 0.302 nan 8.150 nan 0.000 0.443 645 V N 0.743 120.597 119.914 -0.099 0.000 2.469 645 V HA -0.333 3.786 4.120 -0.002 0.000 0.251 645 V C 2.680 178.644 176.094 -0.216 0.000 1.064 645 V CA 2.276 64.429 62.300 -0.246 0.000 1.066 645 V CB -0.942 30.778 31.823 -0.171 0.000 0.667 645 V HN 0.780 nan 8.190 nan 0.000 0.461 646 Q N 0.014 119.782 119.800 -0.054 0.000 2.084 646 Q HA -0.230 4.109 4.340 -0.002 0.000 0.202 646 Q C 2.239 178.222 176.000 -0.028 0.000 0.978 646 Q CA 1.353 57.156 55.803 0.001 0.000 0.844 646 Q CB 0.032 28.820 28.738 0.084 0.000 0.898 646 Q HN 0.476 nan 8.270 nan 0.000 0.426 647 K N 0.604 120.983 120.400 -0.034 0.000 2.097 647 K HA -0.065 4.254 4.320 -0.002 0.000 0.205 647 K C 2.194 178.721 176.600 -0.122 0.000 1.050 647 K CA 0.705 56.923 56.287 -0.115 0.000 0.938 647 K CB -0.377 32.020 32.500 -0.172 0.000 0.718 647 K HN 0.315 nan 8.250 nan 0.000 0.442 648 L N 1.444 122.556 121.223 -0.186 0.000 2.042 648 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 648 L C 2.268 179.131 176.870 -0.012 0.000 1.076 648 L CA 1.151 55.859 54.840 -0.220 0.000 0.749 648 L CB -0.546 41.117 42.059 -0.659 0.000 0.893 648 L HN 0.143 nan 8.230 nan 0.000 0.432 649 E N 0.295 120.493 120.200 -0.003 0.000 2.169 649 E HA -0.244 4.105 4.350 -0.002 0.000 0.202 649 E C 2.296 179.010 176.600 0.190 0.000 1.016 649 E CA 1.796 58.360 56.400 0.274 0.000 0.817 649 E CB -0.398 29.399 29.700 0.162 0.000 0.736 649 E HN 0.499 nan 8.360 nan 0.000 0.462 650 S N 0.995 116.745 115.700 0.083 0.000 2.370 650 S HA -0.124 4.345 4.470 -0.002 0.000 0.226 650 S C 1.232 175.880 174.600 0.080 0.000 1.033 650 S CA 0.353 58.584 58.200 0.051 0.000 1.011 650 S CB -0.341 62.852 63.200 -0.011 0.000 0.852 650 S HN 0.212 nan 8.310 nan 0.000 0.457 651 L N 3.242 124.532 121.223 0.112 0.000 2.640 651 L HA -0.059 4.281 4.340 -0.002 0.000 0.280 651 L C 0.945 177.902 176.870 0.145 0.000 1.229 651 L CA -0.151 54.773 54.840 0.140 0.000 0.919 651 L CB -0.112 42.070 42.059 0.205 0.000 1.168 651 L HN 0.443 nan 8.230 nan 0.000 0.496 652 E N 2.283 122.552 120.200 0.116 0.000 2.371 652 E HA 0.031 4.380 4.350 -0.002 0.000 0.257 652 E C -0.104 176.576 176.600 0.133 0.000 1.134 652 E CA -0.870 55.593 56.400 0.106 0.000 0.919 652 E CB 0.817 30.568 29.700 0.085 0.000 1.025 652 E HN 0.477 nan 8.360 nan 0.000 0.438 653 D N 1.295 121.767 120.400 0.119 0.000 2.133 653 D HA -0.239 4.400 4.640 -0.002 0.000 0.192 653 D C 1.307 177.708 176.300 0.167 0.000 1.001 653 D CA 1.915 55.988 54.000 0.121 0.000 0.844 653 D CB -0.428 40.438 40.800 0.111 0.000 0.944 653 D HN 0.630 nan 8.370 nan 0.000 0.447 654 D N 0.453 120.991 120.400 0.229 0.000 2.154 654 D HA -0.163 4.476 4.640 -0.002 0.000 0.190 654 D C 1.469 177.956 176.300 0.312 0.000 1.003 654 D CA 1.385 55.580 54.000 0.325 0.000 0.849 654 D CB -0.044 40.931 40.800 0.292 0.000 0.942 654 D HN 0.159 nan 8.370 nan 0.000 0.446 655 D N -0.641 119.908 120.400 0.249 0.000 2.144 655 D HA -0.094 4.545 4.640 -0.002 0.000 0.200 655 D C 2.299 178.785 176.300 0.312 0.000 0.978 655 D CA 0.559 54.723 54.000 0.273 0.000 0.833 655 D CB -0.066 40.891 40.800 0.261 0.000 0.961 655 D HN 0.192 nan 8.370 nan 0.000 0.470 656 V N 1.476 121.543 119.914 0.255 0.000 2.407 656 V HA -0.219 3.900 4.120 -0.002 0.000 0.248 656 V C 2.650 178.845 176.094 0.169 0.000 1.055 656 V CA 1.106 63.553 62.300 0.244 0.000 1.049 656 V CB -0.544 31.371 31.823 0.154 0.000 0.662 656 V HN 0.161 nan 8.190 nan 0.000 0.455 657 L N -0.963 120.316 121.223 0.093 0.000 2.141 657 L HA -0.152 4.188 4.340 -0.002 0.000 0.209 657 L C 2.531 179.315 176.870 -0.143 0.000 1.094 657 L CA 1.510 56.329 54.840 -0.036 0.000 0.763 657 L CB -0.698 41.307 42.059 -0.090 0.000 0.908 657 L HN 0.351 nan 8.230 nan 0.000 0.437 658 H N -1.563 117.397 119.070 -0.183 0.000 2.387 658 H HA -0.145 4.411 4.556 -0.002 0.000 0.299 658 H C 1.164 176.131 175.328 -0.601 0.000 1.090 658 H CA 1.947 57.714 56.048 -0.469 0.000 1.332 658 H CB 0.083 29.386 29.762 -0.765 0.000 1.386 658 H HN 0.324 nan 8.280 nan 0.000 0.516 659 Y N -1.637 118.738 120.300 0.125 0.000 2.467 659 Y HA 0.081 4.630 4.550 -0.002 0.000 0.250 659 Y C 1.689 177.631 175.900 0.071 0.000 1.155 659 Y CA -0.421 57.724 58.100 0.075 0.000 1.249 659 Y CB 0.319 38.830 38.460 0.086 0.000 1.146 659 Y HN 0.063 nan 8.280 nan 0.000 0.524 660 L N 0.461 121.793 121.223 0.181 0.000 2.010 660 L HA -0.284 4.055 4.340 -0.002 0.000 0.219 660 L C 2.308 179.276 176.870 0.164 0.000 1.077 660 L CA 1.767 56.739 54.840 0.219 0.000 0.773 660 L CB -0.859 41.362 42.059 0.271 0.000 0.892 660 L HN 0.358 nan 8.230 nan 0.000 0.436 661 L N -0.643 120.573 121.223 -0.012 0.000 1.989 661 L HA -0.254 4.085 4.340 -0.002 0.000 0.211 661 L C 2.517 179.255 176.870 -0.220 0.000 1.071 661 L CA 1.923 56.499 54.840 -0.440 0.000 0.749 661 L CB -0.975 40.622 42.059 -0.770 0.000 0.890 661 L HN 0.458 nan 8.230 nan 0.000 0.431 662 Q N -0.492 119.252 119.800 -0.093 0.000 2.124 662 Q HA -0.177 4.162 4.340 -0.002 0.000 0.202 662 Q C 2.363 178.379 176.000 0.027 0.000 0.977 662 Q CA 1.779 57.567 55.803 -0.025 0.000 0.850 662 Q CB -0.387 28.381 28.738 0.049 0.000 0.901 662 Q HN 0.567 nan 8.270 nan 0.000 0.429 663 L N 0.114 121.388 121.223 0.083 0.000 1.994 663 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 663 L C 2.556 179.473 176.870 0.078 0.000 1.071 663 L CA 0.933 55.842 54.840 0.114 0.000 0.745 663 L CB -0.882 41.292 42.059 0.192 0.000 0.892 663 L HN 0.027 nan 8.230 nan 0.000 0.431 664 V N -0.313 119.631 119.914 0.050 0.000 2.231 664 V HA -0.351 3.768 4.120 -0.002 0.000 0.250 664 V C 2.663 178.731 176.094 -0.042 0.000 1.058 664 V CA 1.853 64.145 62.300 -0.013 0.000 1.022 664 V CB -0.707 31.068 31.823 -0.081 0.000 0.640 664 V HN 0.519 nan 8.190 nan 0.000 0.445 665 Q N -0.245 119.490 119.800 -0.108 0.000 2.152 665 Q HA -0.202 4.137 4.340 -0.002 0.000 0.206 665 Q C 2.389 178.261 176.000 -0.213 0.000 0.985 665 Q CA 1.937 57.651 55.803 -0.148 0.000 0.863 665 Q CB -0.785 27.843 28.738 -0.182 0.000 0.904 665 Q HN 0.701 nan 8.270 nan 0.000 0.422 666 A N 0.443 123.216 122.820 -0.078 0.000 2.186 666 A HA -0.093 4.226 4.320 -0.002 0.000 0.219 666 A C 2.306 179.868 177.584 -0.037 0.000 1.159 666 A CA 0.983 53.031 52.037 0.018 0.000 0.680 666 A CB -0.456 18.640 19.000 0.161 0.000 0.787 666 A HN 0.207 nan 8.150 nan 0.000 0.467 667 V N -0.136 119.758 119.914 -0.034 0.000 2.759 667 V HA -0.225 3.894 4.120 -0.002 0.000 0.256 667 V C 2.257 178.191 176.094 -0.268 0.000 1.080 667 V CA 2.054 64.346 62.300 -0.014 0.000 1.101 667 V CB -0.559 31.384 31.823 0.199 0.000 0.698 667 V HN 0.578 nan 8.190 nan 0.000 0.477 668 K N -0.321 119.726 120.400 -0.588 0.000 2.209 668 K HA -0.090 4.229 4.320 -0.002 0.000 0.204 668 K C 1.691 177.939 176.600 -0.587 0.000 1.048 668 K CA 1.421 57.045 56.287 -1.105 0.000 0.940 668 K CB -0.207 31.456 32.500 -1.394 0.000 0.729 668 K HN 0.508 nan 8.250 nan 0.000 0.451 669 F N 1.351 121.185 119.950 -0.192 0.000 2.797 669 F HA 0.062 4.588 4.527 -0.002 0.000 0.302 669 F C 0.676 176.414 175.800 -0.103 0.000 1.130 669 F CA -0.369 57.562 58.000 -0.115 0.000 1.387 669 F CB 0.264 39.217 39.000 -0.079 0.000 1.107 669 F HN -0.196 nan 8.300 nan 0.000 0.577 670 E N 2.852 123.081 120.200 0.048 0.000 2.299 670 E HA 0.030 4.379 4.350 -0.002 0.000 0.272 670 E C -1.479 175.076 176.600 -0.075 0.000 1.043 670 E CA -1.565 54.840 56.400 0.008 0.000 0.895 670 E CB 0.718 30.436 29.700 0.030 0.000 1.011 670 E HN 0.079 nan 8.360 nan 0.000 0.432 671 P HA -0.086 nan 4.420 nan 0.000 0.223 671 P C -0.257 176.672 177.300 -0.619 0.000 1.151 671 P CA 1.090 63.951 63.100 -0.398 0.000 0.787 671 P CB 0.260 31.654 31.700 -0.510 0.000 0.788 672 Y N -2.087 118.144 120.300 -0.116 0.000 2.524 672 Y HA 0.294 4.843 4.550 -0.002 0.000 0.344 672 Y C 2.217 178.054 175.900 -0.105 0.000 1.012 672 Y CA -0.925 57.077 58.100 -0.163 0.000 1.068 672 Y CB 0.944 39.357 38.460 -0.078 0.000 1.249 672 Y HN -0.200 nan 8.280 nan 0.000 0.468 673 H N -0.467 118.720 119.070 0.195 0.000 2.299 673 H HA -0.107 4.448 4.556 -0.002 0.000 0.302 673 H C 0.077 175.487 175.328 0.137 0.000 1.078 673 H CA 1.363 57.481 56.048 0.117 0.000 1.323 673 H CB -0.018 29.793 29.762 0.082 0.000 1.381 673 H HN 0.533 nan 8.280 nan 0.000 0.498 674 D N 1.557 122.137 120.400 0.300 0.000 2.325 674 D HA 0.146 4.785 4.640 -0.002 0.000 0.251 674 D C -0.321 176.097 176.300 0.197 0.000 1.196 674 D CA -0.039 54.096 54.000 0.224 0.000 0.866 674 D CB 0.512 41.453 40.800 0.236 0.000 1.101 674 D HN 0.299 nan 8.370 nan 0.000 0.476 675 S N 1.731 117.529 115.700 0.164 0.000 2.588 675 S HA 0.642 5.111 4.470 -0.002 0.000 0.275 675 S C 1.003 175.678 174.600 0.126 0.000 1.130 675 S CA -0.332 57.953 58.200 0.142 0.000 0.855 675 S CB 1.411 64.692 63.200 0.134 0.000 1.116 675 S HN 0.290 nan 8.310 nan 0.000 0.472 676 A N 0.788 123.670 122.820 0.103 0.000 1.948 676 A HA -0.080 4.239 4.320 -0.002 0.000 0.220 676 A C 1.971 179.630 177.584 0.124 0.000 1.177 676 A CA 1.978 54.075 52.037 0.099 0.000 0.636 676 A CB -0.999 18.036 19.000 0.059 0.000 0.815 676 A HN 1.032 nan 8.150 nan 0.000 0.449 677 L N -0.504 120.785 121.223 0.109 0.000 2.056 677 L HA 0.009 4.348 4.340 -0.002 0.000 0.207 677 L C 2.705 179.700 176.870 0.210 0.000 1.078 677 L CA 2.130 57.052 54.840 0.137 0.000 0.749 677 L CB -0.855 41.264 42.059 0.100 0.000 0.901 677 L HN 0.335 nan 8.230 nan 0.000 0.433 678 A N -0.378 122.547 122.820 0.176 0.000 1.940 678 A HA -0.218 4.101 4.320 -0.002 0.000 0.219 678 A C 2.413 180.103 177.584 0.177 0.000 1.176 678 A CA 1.838 53.981 52.037 0.177 0.000 0.631 678 A CB -0.519 18.578 19.000 0.163 0.000 0.814 678 A HN 0.517 nan 8.150 nan 0.000 0.446 679 R N -2.093 118.514 120.500 0.178 0.000 2.073 679 R HA -0.042 4.297 4.340 -0.002 0.000 0.229 679 R C 2.043 178.466 176.300 0.206 0.000 1.120 679 R CA 1.357 57.556 56.100 0.164 0.000 0.967 679 R CB -0.543 29.841 30.300 0.140 0.000 0.862 679 R HN 0.585 nan 8.270 nan 0.000 0.436 680 F N 2.042 122.037 119.950 0.076 0.000 2.091 680 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 680 F C 1.904 177.754 175.800 0.084 0.000 1.103 680 F CA 1.492 59.537 58.000 0.075 0.000 1.228 680 F CB -0.264 38.780 39.000 0.072 0.000 0.984 680 F HN -0.105 nan 8.300 nan 0.000 0.477 681 L N -0.256 121.091 121.223 0.207 0.000 2.012 681 L HA -0.257 4.083 4.340 -0.002 0.000 0.210 681 L C 2.650 179.528 176.870 0.013 0.000 1.073 681 L CA 1.118 55.994 54.840 0.061 0.000 0.748 681 L CB -0.920 41.223 42.059 0.140 0.000 0.891 681 L HN 0.309 nan 8.230 nan 0.000 0.431 682 L N 0.291 121.563 121.223 0.081 0.000 1.989 682 L HA -0.258 4.081 4.340 -0.002 0.000 0.211 682 L C 2.671 179.593 176.870 0.087 0.000 1.071 682 L CA 1.960 56.873 54.840 0.122 0.000 0.749 682 L CB -0.357 41.773 42.059 0.119 0.000 0.890 682 L HN 0.322 nan 8.230 nan 0.000 0.431 683 K N -0.650 119.764 120.400 0.023 0.000 1.978 683 K HA -0.191 4.128 4.320 -0.002 0.000 0.214 683 K C 1.953 178.523 176.600 -0.050 0.000 1.049 683 K CA 1.277 57.556 56.287 -0.013 0.000 0.939 683 K CB -0.289 32.200 32.500 -0.019 0.000 0.721 683 K HN 0.215 nan 8.250 nan 0.000 0.441 684 R N 0.475 120.862 120.500 -0.188 0.000 2.170 684 R HA -0.110 4.230 4.340 -0.002 0.000 0.242 684 R C 2.255 178.542 176.300 -0.022 0.000 1.145 684 R CA 1.443 57.427 56.100 -0.192 0.000 0.984 684 R CB -1.225 28.802 30.300 -0.455 0.000 0.869 684 R HN 0.481 nan 8.270 nan 0.000 0.455 685 G N 0.857 109.691 108.800 0.056 0.000 2.496 685 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.214 685 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.214 685 G C 1.490 176.615 174.900 0.375 0.000 1.234 685 G CA 0.139 45.368 45.100 0.215 0.000 0.807 685 G HN 0.233 nan 8.290 nan 0.000 0.543 686 L N 0.161 121.567 121.223 0.305 0.000 2.351 686 L HA -0.053 4.286 4.340 -0.002 0.000 0.220 686 L C 2.914 179.803 176.870 0.031 0.000 1.127 686 L CA 0.596 55.497 54.840 0.102 0.000 0.786 686 L CB -0.257 41.773 42.059 -0.047 0.000 0.914 686 L HN 0.117 nan 8.230 nan 0.000 0.443 687 R N -0.509 120.048 120.500 0.094 0.000 2.173 687 R HA 0.097 4.436 4.340 -0.002 0.000 0.208 687 R C 0.473 176.926 176.300 0.255 0.000 1.035 687 R CA 0.272 56.419 56.100 0.079 0.000 1.004 687 R CB 0.164 30.483 30.300 0.032 0.000 0.917 687 R HN 0.280 nan 8.270 nan 0.000 0.462 688 N N 0.456 119.329 118.700 0.289 0.000 2.310 688 N HA 0.085 4.824 4.740 -0.002 0.000 0.292 688 N C 0.260 175.886 175.510 0.193 0.000 1.049 688 N CA -0.216 52.981 53.050 0.244 0.000 0.849 688 N CB 1.687 40.248 38.487 0.123 0.000 1.532 688 N HN -0.245 nan 8.380 nan 0.000 0.479 689 K N 2.188 122.597 120.400 0.015 0.000 2.097 689 K HA -0.143 4.176 4.320 -0.002 0.000 0.206 689 K C 1.543 178.071 176.600 -0.121 0.000 1.049 689 K CA 1.015 57.215 56.287 -0.146 0.000 0.933 689 K CB 0.121 32.328 32.500 -0.488 0.000 0.717 689 K HN 0.483 nan 8.250 nan 0.000 0.442 690 R N 1.607 122.020 120.500 -0.144 0.000 2.070 690 R HA -0.030 4.309 4.340 -0.002 0.000 0.232 690 R C 2.316 178.635 176.300 0.031 0.000 1.138 690 R CA 1.262 57.278 56.100 -0.141 0.000 0.936 690 R CB -0.574 29.576 30.300 -0.250 0.000 0.839 690 R HN 0.102 nan 8.270 nan 0.000 0.429 691 I N 0.010 120.598 120.570 0.030 0.000 2.163 691 I HA -0.214 3.955 4.170 -0.002 0.000 0.243 691 I C 2.314 178.440 176.117 0.015 0.000 1.085 691 I CA 1.706 63.035 61.300 0.049 0.000 1.347 691 I CB -0.876 37.139 38.000 0.026 0.000 1.044 691 I HN 0.524 nan 8.210 nan 0.000 0.408 692 G N -0.262 108.576 108.800 0.063 0.000 2.442 692 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.219 692 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.219 692 G C 1.456 176.338 174.900 -0.029 0.000 1.141 692 G CA 1.311 46.435 45.100 0.041 0.000 0.763 692 G HN 0.445 nan 8.290 nan 0.000 0.554 693 H N 0.041 119.100 119.070 -0.017 0.000 2.270 693 H HA -0.007 4.548 4.556 -0.002 0.000 0.299 693 H C 2.205 177.449 175.328 -0.140 0.000 1.077 693 H CA 1.742 57.786 56.048 -0.007 0.000 1.294 693 H CB -0.486 29.075 29.762 -0.336 0.000 1.371 693 H HN 0.339 nan 8.280 nan 0.000 0.491 694 F N -0.497 119.282 119.950 -0.285 0.000 2.171 694 F HA -0.118 4.408 4.527 -0.001 0.000 0.300 694 F C 2.412 177.695 175.800 -0.862 0.000 1.090 694 F CA 0.666 58.270 58.000 -0.660 0.000 1.293 694 F CB -0.325 38.256 39.000 -0.700 0.000 1.013 694 F HN 0.244 nan 8.300 nan 0.000 0.486 695 L N -0.137 120.854 121.223 -0.386 0.000 2.042 695 L HA -0.245 4.094 4.340 -0.002 0.000 0.210 695 L C 2.172 178.768 176.870 -0.457 0.000 1.076 695 L CA 1.656 56.278 54.840 -0.364 0.000 0.749 695 L CB -1.227 40.609 42.059 -0.371 0.000 0.893 695 L HN 0.175 nan 8.230 nan 0.000 0.432 696 F N -0.732 118.763 119.950 -0.758 0.000 2.043 696 F HA -0.295 4.231 4.527 -0.001 0.000 0.297 696 F C 1.972 177.321 175.800 -0.752 0.000 1.121 696 F CA 2.267 59.715 58.000 -0.919 0.000 1.199 696 F CB -0.767 37.361 39.000 -1.453 0.000 0.968 696 F HN 0.143 nan 8.300 nan 0.000 0.478 697 W N -0.271 120.799 121.300 -0.383 0.000 2.363 697 W HA -0.141 4.518 4.660 -0.002 0.000 0.296 697 W C 2.518 178.970 176.519 -0.111 0.000 1.212 697 W CA 1.362 58.552 57.345 -0.258 0.000 1.260 697 W CB -0.842 28.526 29.460 -0.153 0.000 1.131 697 W HN 0.054 nan 8.180 nan 0.000 0.530 698 F N -0.225 119.689 119.950 -0.060 0.000 2.075 698 F HA -0.250 4.277 4.527 -0.001 0.000 0.297 698 F C 2.267 177.861 175.800 -0.343 0.000 1.113 698 F CA 0.697 58.604 58.000 -0.154 0.000 1.218 698 F CB -0.968 37.940 39.000 -0.154 0.000 0.984 698 F HN -0.222 nan 8.300 nan 0.000 0.472 699 L N -0.033 121.036 121.223 -0.257 0.000 2.012 699 L HA -0.252 4.087 4.340 -0.002 0.000 0.210 699 L C 2.617 179.222 176.870 -0.442 0.000 1.073 699 L CA 1.299 55.844 54.840 -0.491 0.000 0.748 699 L CB -0.615 41.161 42.059 -0.471 0.000 0.891 699 L HN 0.096 nan 8.230 nan 0.000 0.431 700 R N -0.481 119.699 120.500 -0.534 0.000 2.081 700 R HA -0.199 4.140 4.340 -0.002 0.000 0.235 700 R C 2.596 178.774 176.300 -0.203 0.000 1.131 700 R CA 1.643 57.445 56.100 -0.496 0.000 0.960 700 R CB -0.247 29.537 30.300 -0.860 0.000 0.856 700 R HN 0.246 nan 8.270 nan 0.000 0.436 701 S N 0.367 116.013 115.700 -0.090 0.000 2.368 701 S HA -0.192 4.277 4.470 -0.002 0.000 0.226 701 S C 1.689 176.275 174.600 -0.024 0.000 1.044 701 S CA 1.629 59.836 58.200 0.012 0.000 1.062 701 S CB -0.166 63.066 63.200 0.054 0.000 0.931 701 S HN 0.368 nan 8.310 nan 0.000 0.440 702 E N 0.892 121.039 120.200 -0.089 0.000 2.072 702 E HA -0.028 4.321 4.350 -0.002 0.000 0.191 702 E C 2.128 178.771 176.600 0.072 0.000 0.985 702 E CA 1.057 57.458 56.400 0.002 0.000 0.801 702 E CB -0.530 29.158 29.700 -0.020 0.000 0.750 702 E HN 0.653 nan 8.360 nan 0.000 0.452 703 I N 1.135 121.710 120.570 0.010 0.000 2.264 703 I HA -0.276 3.893 4.170 -0.002 0.000 0.248 703 I C 2.461 178.584 176.117 0.011 0.000 1.111 703 I CA 1.057 62.357 61.300 0.000 0.000 1.382 703 I CB -0.419 37.548 38.000 -0.055 0.000 1.060 703 I HN -0.009 nan 8.210 nan 0.000 0.418 704 A N 1.285 124.116 122.820 0.018 0.000 1.845 704 A HA -0.241 4.078 4.320 -0.002 0.000 0.215 704 A C 2.114 179.740 177.584 0.069 0.000 1.195 704 A CA 2.001 54.068 52.037 0.051 0.000 0.616 704 A CB -0.623 18.412 19.000 0.058 0.000 0.832 704 A HN 0.662 nan 8.150 nan 0.000 0.443 705 Q N -1.437 118.405 119.800 0.069 0.000 2.179 705 Q HA 0.402 4.741 4.340 -0.002 0.000 0.213 705 Q C 0.098 176.151 176.000 0.088 0.000 0.833 705 Q CA 0.408 56.259 55.803 0.080 0.000 0.990 705 Q CB 0.259 29.044 28.738 0.078 0.000 1.132 705 Q HN 0.261 nan 8.270 nan 0.000 0.493 706 S N 0.400 116.154 115.700 0.090 0.000 2.516 706 S HA 0.366 4.835 4.470 -0.002 0.000 0.268 706 S C 0.241 174.893 174.600 0.087 0.000 1.251 706 S CA -0.619 57.650 58.200 0.115 0.000 1.153 706 S CB 0.775 64.066 63.200 0.152 0.000 1.009 706 S HN 0.288 nan 8.310 nan 0.000 0.479 707 R N 2.036 122.595 120.500 0.099 0.000 2.152 707 R HA 0.002 4.341 4.340 -0.002 0.000 0.232 707 R C 1.207 177.510 176.300 0.004 0.000 1.117 707 R CA 1.796 57.945 56.100 0.082 0.000 0.981 707 R CB -0.493 29.912 30.300 0.175 0.000 0.870 707 R HN 0.738 nan 8.270 nan 0.000 0.451 708 H N -2.700 116.190 119.070 -0.301 0.000 2.389 708 H HA -0.026 4.529 4.556 -0.002 0.000 0.299 708 H C 0.562 175.504 175.328 -0.643 0.000 1.081 708 H CA 1.716 57.343 56.048 -0.702 0.000 1.345 708 H CB 0.067 29.277 29.762 -0.920 0.000 1.393 708 H HN 0.241 nan 8.280 nan 0.000 0.520 709 Y N 0.633 120.874 120.300 -0.098 0.000 2.641 709 Y HA 0.051 4.600 4.550 -0.002 0.000 0.248 709 Y C 1.873 177.612 175.900 -0.268 0.000 1.170 709 Y CA -0.470 57.463 58.100 -0.277 0.000 1.201 709 Y CB 0.456 38.618 38.460 -0.497 0.000 1.232 709 Y HN 0.250 nan 8.280 nan 0.000 0.537 710 Q N 0.371 120.119 119.800 -0.086 0.000 2.002 710 Q HA -0.248 4.091 4.340 -0.002 0.000 0.204 710 Q C 1.307 177.079 176.000 -0.381 0.000 0.988 710 Q CA 1.927 57.609 55.803 -0.202 0.000 0.843 710 Q CB -0.497 28.019 28.738 -0.369 0.000 0.908 710 Q HN 0.525 nan 8.270 nan 0.000 0.420 711 Q N 0.887 120.377 119.800 -0.517 0.000 1.943 711 Q HA -0.263 4.076 4.340 -0.002 0.000 0.213 711 Q C 2.374 178.227 176.000 -0.245 0.000 1.017 711 Q CA 2.062 57.629 55.803 -0.395 0.000 0.874 711 Q CB -0.529 28.073 28.738 -0.226 0.000 0.960 711 Q HN 0.432 nan 8.270 nan 0.000 0.417 712 R N 0.410 120.738 120.500 -0.287 0.000 2.112 712 R HA -0.200 4.139 4.340 -0.002 0.000 0.242 712 R C 2.204 178.472 176.300 -0.053 0.000 1.137 712 R CA 1.903 57.847 56.100 -0.261 0.000 0.944 712 R CB -0.437 29.800 30.300 -0.105 0.000 0.857 712 R HN 0.298 nan 8.270 nan 0.000 0.435 713 F N 0.236 120.149 119.950 -0.061 0.000 2.171 713 F HA -0.167 4.359 4.527 -0.002 0.000 0.300 713 F C 2.657 178.396 175.800 -0.102 0.000 1.090 713 F CA 0.385 58.339 58.000 -0.077 0.000 1.293 713 F CB -0.169 38.779 39.000 -0.087 0.000 1.013 713 F HN 0.282 nan 8.300 nan 0.000 0.486 714 A N -0.297 122.562 122.820 0.065 0.000 1.930 714 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 714 A C 2.191 179.806 177.584 0.050 0.000 1.175 714 A CA 1.467 53.530 52.037 0.043 0.000 0.627 714 A CB -1.041 18.030 19.000 0.119 0.000 0.815 714 A HN 0.180 nan 8.150 nan 0.000 0.443 715 V N 0.100 120.034 119.914 0.032 0.000 2.667 715 V HA -0.182 3.937 4.120 -0.002 0.000 0.252 715 V C 2.240 178.362 176.094 0.047 0.000 1.065 715 V CA 1.628 63.943 62.300 0.025 0.000 1.083 715 V CB -0.501 31.310 31.823 -0.019 0.000 0.692 715 V HN 0.569 nan 8.190 nan 0.000 0.468 716 I N -1.038 119.577 120.570 0.074 0.000 2.617 716 I HA -0.150 4.019 4.170 -0.002 0.000 0.256 716 I C 2.204 178.367 176.117 0.077 0.000 1.167 716 I CA 1.069 62.427 61.300 0.097 0.000 1.469 716 I CB -0.062 38.029 38.000 0.153 0.000 1.098 716 I HN 0.276 nan 8.210 nan 0.000 0.436 717 L N 0.669 121.909 121.223 0.030 0.000 2.068 717 L HA -0.177 4.162 4.340 -0.002 0.000 0.204 717 L C 2.599 179.514 176.870 0.074 0.000 1.076 717 L CA 1.456 56.294 54.840 -0.004 0.000 0.753 717 L CB -0.326 41.645 42.059 -0.146 0.000 0.910 717 L HN 0.289 nan 8.230 nan 0.000 0.439 718 E N 0.201 120.424 120.200 0.037 0.000 2.086 718 E HA -0.305 4.044 4.350 -0.002 0.000 0.200 718 E C 1.987 178.620 176.600 0.055 0.000 1.012 718 E CA 1.575 57.991 56.400 0.028 0.000 0.812 718 E CB -0.020 29.684 29.700 0.006 0.000 0.743 718 E HN 0.538 nan 8.360 nan 0.000 0.453 719 A N 0.105 122.966 122.820 0.067 0.000 1.978 719 A HA -0.214 4.105 4.320 -0.002 0.000 0.220 719 A C 2.007 179.639 177.584 0.079 0.000 1.170 719 A CA 1.608 53.685 52.037 0.066 0.000 0.636 719 A CB -0.823 18.218 19.000 0.069 0.000 0.810 719 A HN 0.633 nan 8.150 nan 0.000 0.448 720 Y N 0.208 120.526 120.300 0.030 0.000 2.243 720 Y HA 0.016 4.565 4.550 -0.001 0.000 0.293 720 Y C 1.798 177.751 175.900 0.087 0.000 1.124 720 Y CA 1.496 59.624 58.100 0.048 0.000 1.159 720 Y CB -0.225 38.253 38.460 0.029 0.000 1.008 720 Y HN 0.170 nan 8.280 nan 0.000 0.527 721 L N 0.357 121.628 121.223 0.081 0.000 2.353 721 L HA -0.146 4.193 4.340 -0.002 0.000 0.220 721 L C 1.805 178.693 176.870 0.031 0.000 1.133 721 L CA 1.092 55.973 54.840 0.068 0.000 0.798 721 L CB -0.387 41.765 42.059 0.156 0.000 0.922 721 L HN 0.155 nan 8.230 nan 0.000 0.445 722 R N -0.288 120.224 120.500 0.020 0.000 2.335 722 R HA 0.109 4.448 4.340 -0.002 0.000 0.223 722 R C 1.253 177.547 176.300 -0.010 0.000 0.940 722 R CA 0.490 56.643 56.100 0.088 0.000 1.086 722 R CB 0.279 30.645 30.300 0.111 0.000 1.073 722 R HN 0.325 nan 8.270 nan 0.000 0.504 723 G N -0.760 107.965 108.800 -0.125 0.000 3.941 723 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.222 723 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.222 723 G C 1.023 175.801 174.900 -0.204 0.000 1.118 723 G CA -0.124 44.887 45.100 -0.149 0.000 0.880 723 G HN 0.394 nan 8.290 nan 0.000 0.546 724 C N -0.218 118.911 119.300 -0.283 0.000 2.464 724 C HA 0.588 5.047 4.460 -0.002 0.000 0.278 724 C C 1.432 176.470 174.990 0.080 0.000 1.375 724 C CA 0.304 59.229 59.018 -0.155 0.000 1.761 724 C CB -0.888 26.670 27.740 -0.302 0.000 1.944 724 C HN 1.504 nan 8.230 nan 0.000 0.509 725 G N -0.938 107.878 108.800 0.027 0.000 2.592 725 G HA2 0.116 4.075 3.960 -0.002 0.000 0.685 725 G HA3 0.116 4.075 3.960 -0.002 0.000 0.685 725 G C 0.070 174.995 174.900 0.041 0.000 1.278 725 G CA 0.071 45.207 45.100 0.059 0.000 0.822 725 G HN 0.293 nan 8.290 nan 0.000 0.652 726 T N 0.461 115.033 114.554 0.030 0.000 2.833 726 T HA 0.078 4.427 4.350 -0.002 0.000 0.269 726 T C 2.741 177.464 174.700 0.038 0.000 1.054 726 T CA 3.009 65.130 62.100 0.035 0.000 1.135 726 T CB -0.461 68.410 68.868 0.005 0.000 0.869 726 T HN 1.671 nan 8.240 nan 0.000 0.466 727 A N 1.459 124.287 122.820 0.012 0.000 1.841 727 A HA -0.102 4.217 4.320 -0.002 0.000 0.216 727 A C 2.394 179.924 177.584 -0.089 0.000 1.199 727 A CA 2.004 54.034 52.037 -0.013 0.000 0.621 727 A CB -0.813 18.163 19.000 -0.041 0.000 0.835 727 A HN 0.564 nan 8.150 nan 0.000 0.445 728 M N -1.448 118.052 119.600 -0.167 0.000 2.117 728 M HA -0.118 4.361 4.480 -0.002 0.000 0.262 728 M C 2.094 178.157 176.300 -0.394 0.000 1.065 728 M CA 1.081 56.126 55.300 -0.425 0.000 1.114 728 M CB -0.459 31.920 32.600 -0.368 0.000 1.361 728 M HN 0.348 nan 8.290 nan 0.000 0.408 729 L N -0.175 121.014 121.223 -0.057 0.000 2.129 729 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 729 L C 2.504 179.425 176.870 0.085 0.000 1.087 729 L CA 2.023 56.924 54.840 0.102 0.000 0.757 729 L CB -1.026 41.124 42.059 0.151 0.000 0.896 729 L HN 0.350 nan 8.230 nan 0.000 0.434 730 H N -1.189 117.840 119.070 -0.068 0.000 2.415 730 H HA -0.033 4.523 4.556 -0.001 0.000 0.297 730 H C 1.819 177.092 175.328 -0.091 0.000 1.048 730 H CA 1.342 57.360 56.048 -0.050 0.000 1.365 730 H CB 0.074 29.811 29.762 -0.043 0.000 1.421 730 H HN 0.314 nan 8.280 nan 0.000 0.533 731 D N 0.048 120.217 120.400 -0.385 0.000 2.097 731 D HA -0.172 4.467 4.640 -0.002 0.000 0.195 731 D C 2.090 178.204 176.300 -0.310 0.000 0.989 731 D CA 1.219 54.947 54.000 -0.452 0.000 0.827 731 D CB -0.477 40.007 40.800 -0.526 0.000 0.966 731 D HN 0.418 nan 8.370 nan 0.000 0.456 732 F N 1.445 121.240 119.950 -0.260 0.000 2.161 732 F HA -0.192 4.334 4.527 -0.002 0.000 0.300 732 F C 2.773 178.451 175.800 -0.204 0.000 1.089 732 F CA 0.873 58.626 58.000 -0.411 0.000 1.282 732 F CB -0.408 38.093 39.000 -0.832 0.000 1.010 732 F HN -0.080 nan 8.300 nan 0.000 0.485 733 T N -0.704 113.879 114.554 0.048 0.000 2.674 733 T HA -0.255 4.094 4.350 -0.002 0.000 0.265 733 T C 1.862 176.597 174.700 0.059 0.000 1.039 733 T CA 1.317 63.462 62.100 0.075 0.000 1.150 733 T CB -0.423 68.517 68.868 0.120 0.000 0.864 733 T HN 0.286 nan 8.240 nan 0.000 0.427 734 Q N 0.562 120.342 119.800 -0.032 0.000 2.077 734 Q HA -0.207 4.132 4.340 -0.002 0.000 0.206 734 Q C 2.568 178.621 176.000 0.088 0.000 0.989 734 Q CA 1.603 57.401 55.803 -0.008 0.000 0.853 734 Q CB -0.147 28.512 28.738 -0.131 0.000 0.907 734 Q HN 0.633 nan 8.270 nan 0.000 0.418 735 Q N -0.708 119.178 119.800 0.144 0.000 2.084 735 Q HA -0.148 4.191 4.340 -0.002 0.000 0.202 735 Q C 2.163 178.345 176.000 0.303 0.000 0.978 735 Q CA 1.621 57.592 55.803 0.280 0.000 0.844 735 Q CB -0.002 29.034 28.738 0.496 0.000 0.898 735 Q HN 0.238 nan 8.270 nan 0.000 0.426 736 V N 1.084 121.173 119.914 0.291 0.000 2.427 736 V HA -0.270 3.849 4.120 -0.002 0.000 0.248 736 V C 2.171 178.362 176.094 0.162 0.000 1.051 736 V CA 1.741 64.207 62.300 0.276 0.000 1.048 736 V CB -0.588 31.346 31.823 0.187 0.000 0.666 736 V HN 0.363 nan 8.190 nan 0.000 0.456 737 Q N -0.366 119.497 119.800 0.105 0.000 2.030 737 Q HA -0.194 4.145 4.340 -0.002 0.000 0.204 737 Q C 2.385 178.394 176.000 0.015 0.000 0.986 737 Q CA 2.159 57.998 55.803 0.061 0.000 0.843 737 Q CB -0.370 28.401 28.738 0.056 0.000 0.904 737 Q HN 0.562 nan 8.270 nan 0.000 0.420 738 V N 1.211 121.098 119.914 -0.046 0.000 2.255 738 V HA -0.297 3.822 4.120 -0.002 0.000 0.247 738 V C 2.266 178.273 176.094 -0.146 0.000 1.051 738 V CA 1.475 63.661 62.300 -0.189 0.000 1.018 738 V CB -0.630 30.846 31.823 -0.578 0.000 0.641 738 V HN 0.347 nan 8.190 nan 0.000 0.445 739 I N 0.136 120.681 120.570 -0.042 0.000 2.069 739 I HA -0.293 3.877 4.170 -0.002 0.000 0.237 739 I C 2.566 178.746 176.117 0.106 0.000 1.053 739 I CA 1.887 63.260 61.300 0.122 0.000 1.311 739 I CB -1.429 36.719 38.000 0.247 0.000 1.030 739 I HN 0.436 nan 8.210 nan 0.000 0.398 740 E N 0.056 120.321 120.200 0.108 0.000 2.086 740 E HA -0.261 4.088 4.350 -0.002 0.000 0.200 740 E C 2.366 178.981 176.600 0.024 0.000 1.012 740 E CA 1.716 58.165 56.400 0.082 0.000 0.812 740 E CB -0.120 29.627 29.700 0.078 0.000 0.743 740 E HN 0.397 nan 8.360 nan 0.000 0.453 741 M N -0.095 119.499 119.600 -0.011 0.000 2.067 741 M HA -0.206 4.273 4.480 -0.002 0.000 0.260 741 M C 2.314 178.555 176.300 -0.098 0.000 1.069 741 M CA 1.392 56.666 55.300 -0.043 0.000 1.117 741 M CB -0.263 32.310 32.600 -0.046 0.000 1.334 741 M HN 0.168 nan 8.290 nan 0.000 0.407 742 L N -0.487 120.620 121.223 -0.193 0.000 2.131 742 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 742 L C 2.538 179.236 176.870 -0.287 0.000 1.092 742 L CA 1.247 55.849 54.840 -0.397 0.000 0.759 742 L CB -0.572 40.924 42.059 -0.939 0.000 0.903 742 L HN 0.422 nan 8.230 nan 0.000 0.435 743 Q N -0.100 119.652 119.800 -0.081 0.000 2.119 743 Q HA -0.254 4.085 4.340 -0.002 0.000 0.201 743 Q C 2.141 178.142 176.000 0.002 0.000 0.972 743 Q CA 1.442 57.278 55.803 0.055 0.000 0.847 743 Q CB 0.108 28.922 28.738 0.128 0.000 0.903 743 Q HN 0.192 nan 8.270 nan 0.000 0.433 744 K N 0.158 120.546 120.400 -0.019 0.000 2.001 744 K HA -0.166 4.153 4.320 -0.002 0.000 0.214 744 K C 1.752 178.333 176.600 -0.031 0.000 1.050 744 K CA 1.798 58.072 56.287 -0.022 0.000 0.934 744 K CB -0.710 31.777 32.500 -0.020 0.000 0.718 744 K HN 0.043 nan 8.250 nan 0.000 0.443 745 V N 0.842 120.726 119.914 -0.050 0.000 2.255 745 V HA -0.303 3.816 4.120 -0.002 0.000 0.247 745 V C 2.217 178.297 176.094 -0.024 0.000 1.051 745 V CA 2.500 64.773 62.300 -0.044 0.000 1.018 745 V CB -1.004 30.777 31.823 -0.069 0.000 0.641 745 V HN 0.526 nan 8.190 nan 0.000 0.445 746 T N 0.462 115.002 114.554 -0.025 0.000 2.685 746 T HA -0.243 4.106 4.350 -0.002 0.000 0.268 746 T C 1.766 176.487 174.700 0.036 0.000 1.034 746 T CA 1.933 64.057 62.100 0.040 0.000 1.149 746 T CB -0.367 68.572 68.868 0.118 0.000 0.860 746 T HN 0.323 nan 8.240 nan 0.000 0.449 747 L N 0.221 121.438 121.223 -0.009 0.000 2.341 747 L HA 0.020 4.359 4.340 -0.002 0.000 0.214 747 L C 2.214 179.065 176.870 -0.032 0.000 1.115 747 L CA 0.622 55.424 54.840 -0.062 0.000 0.820 747 L CB -0.274 41.707 42.059 -0.131 0.000 0.944 747 L HN 0.100 nan 8.230 nan 0.000 0.452 748 D N 0.333 120.723 120.400 -0.016 0.000 2.091 748 D HA -0.093 4.546 4.640 -0.002 0.000 0.199 748 D C 2.110 178.414 176.300 0.005 0.000 0.980 748 D CA 1.103 55.098 54.000 -0.008 0.000 0.831 748 D CB 0.029 40.824 40.800 -0.009 0.000 0.987 748 D HN 0.101 nan 8.370 nan 0.000 0.460 749 I N 1.409 121.987 120.570 0.014 0.000 2.916 749 I HA -0.132 4.037 4.170 -0.002 0.000 0.267 749 I C 2.075 178.214 176.117 0.037 0.000 1.263 749 I CA 0.750 62.066 61.300 0.025 0.000 1.471 749 I CB -1.071 36.950 38.000 0.034 0.000 1.089 749 I HN 0.067 nan 8.210 nan 0.000 0.468 750 K N 2.072 122.495 120.400 0.038 0.000 2.076 750 K HA -0.088 4.231 4.320 -0.002 0.000 0.204 750 K C 1.993 178.620 176.600 0.045 0.000 1.051 750 K CA 1.767 58.087 56.287 0.055 0.000 0.949 750 K CB -0.178 32.361 32.500 0.066 0.000 0.726 750 K HN 0.356 nan 8.250 nan 0.000 0.443 751 S N 1.864 117.581 115.700 0.027 0.000 2.382 751 S HA -0.079 4.390 4.470 -0.002 0.000 0.228 751 S C 1.902 176.515 174.600 0.022 0.000 1.027 751 S CA 0.769 58.984 58.200 0.024 0.000 0.991 751 S CB -0.804 62.403 63.200 0.012 0.000 0.823 751 S HN 0.343 nan 8.310 nan 0.000 0.469 752 L N 2.148 123.382 121.223 0.019 0.000 2.949 752 L HA 0.276 4.615 4.340 -0.002 0.000 0.263 752 L C 0.645 177.525 176.870 0.016 0.000 1.190 752 L CA -0.087 54.761 54.840 0.015 0.000 1.022 752 L CB -1.052 41.014 42.059 0.012 0.000 1.313 752 L HN 0.343 nan 8.230 nan 0.000 0.413 753 S N -1.477 114.236 115.700 0.022 0.000 2.602 753 S HA 0.651 5.120 4.470 -0.002 0.000 0.301 753 S C -0.346 174.273 174.600 0.031 0.000 1.091 753 S CA -0.073 58.141 58.200 0.022 0.000 0.895 753 S CB 1.067 64.284 63.200 0.028 0.000 1.090 753 S HN 0.169 nan 8.310 nan 0.000 0.449 754 A N 3.370 126.204 122.820 0.023 0.000 2.939 754 A HA 0.620 4.940 4.320 -0.002 0.000 0.207 754 A C 1.030 178.640 177.584 0.042 0.000 1.881 754 A CA 0.006 52.063 52.037 0.033 0.000 1.796 754 A CB -0.389 18.625 19.000 0.023 0.000 1.411 754 A HN 0.768 nan 8.150 nan 0.000 0.422 755 E N 0.807 121.025 120.200 0.031 0.000 2.338 755 E HA -0.063 4.286 4.350 -0.002 0.000 0.197 755 E C -0.175 176.426 176.600 0.001 0.000 1.007 755 E CA 0.458 56.887 56.400 0.048 0.000 0.849 755 E CB -0.071 29.648 29.700 0.032 0.000 0.774 755 E HN 0.182 nan 8.360 nan 0.000 0.506 756 K N 1.906 122.267 120.400 -0.064 0.000 2.083 756 K HA -0.001 4.318 4.320 -0.002 0.000 0.246 756 K C 0.137 176.646 176.600 -0.152 0.000 1.160 756 K CA -0.096 56.077 56.287 -0.190 0.000 1.060 756 K CB -0.782 31.640 32.500 -0.130 0.000 1.417 756 K HN 0.289 nan 8.250 nan 0.000 0.329 757 Y N -0.482 119.818 120.300 0.000 0.000 2.542 757 Y HA 0.091 4.640 4.550 -0.002 0.000 0.349 757 Y C -0.565 175.334 175.900 -0.001 0.000 1.215 757 Y CA -0.714 57.386 58.100 0.000 0.000 1.253 757 Y CB -0.382 38.074 38.460 -0.008 0.000 1.120 757 Y HN 0.086 nan 8.280 nan 0.000 0.487 758 D N 0.956 121.306 120.400 -0.083 0.000 2.440 758 D HA 0.197 4.836 4.640 -0.002 0.000 0.239 758 D C -0.563 175.728 176.300 -0.014 0.000 1.084 758 D CA -0.555 53.420 54.000 -0.042 0.000 0.843 758 D CB 2.560 43.281 40.800 -0.131 0.000 1.097 758 D HN 0.019 nan 8.370 nan 0.000 0.531 759 V N 2.783 122.708 119.914 0.018 0.000 2.442 759 V HA -0.090 4.029 4.120 -0.002 0.000 0.272 759 V C 1.098 177.192 176.094 -0.001 0.000 0.989 759 V CA 0.399 62.708 62.300 0.015 0.000 1.123 759 V CB -0.439 31.397 31.823 0.020 0.000 1.008 759 V HN 0.451 nan 8.190 nan 0.000 0.469 760 S N 4.071 119.767 115.700 -0.006 0.000 2.580 760 S HA 0.013 4.482 4.470 -0.002 0.000 0.261 760 S C 1.590 176.187 174.600 -0.006 0.000 1.366 760 S CA 0.105 58.299 58.200 -0.011 0.000 0.996 760 S CB 0.779 63.973 63.200 -0.011 0.000 0.902 760 S HN 1.043 nan 8.310 nan 0.000 0.566 761 S N 0.637 116.332 115.700 -0.008 0.000 2.406 761 S HA -0.141 4.328 4.470 -0.002 0.000 0.224 761 S C 1.614 176.212 174.600 -0.004 0.000 1.030 761 S CA 0.666 58.862 58.200 -0.006 0.000 0.958 761 S CB -0.488 62.707 63.200 -0.008 0.000 0.811 761 S HN 0.823 nan 8.310 nan 0.000 0.489 762 Q N 0.504 120.302 119.800 -0.004 0.000 2.472 762 Q HA 0.268 4.607 4.340 -0.002 0.000 0.208 762 Q C 1.768 177.768 176.000 0.000 0.000 0.958 762 Q CA 0.701 56.503 55.803 -0.002 0.000 0.932 762 Q CB -0.249 28.487 28.738 -0.003 0.000 1.007 762 Q HN 0.430 nan 8.270 nan 0.000 0.508 763 V N 0.511 120.426 119.914 0.002 0.000 3.174 763 V HA 0.007 4.126 4.120 -0.002 0.000 0.254 763 V C 1.746 177.846 176.094 0.009 0.000 1.120 763 V CA 0.439 62.743 62.300 0.006 0.000 1.114 763 V CB -0.062 31.767 31.823 0.009 0.000 0.756 763 V HN 0.399 nan 8.190 nan 0.000 0.467 764 I N -0.195 120.378 120.570 0.006 0.000 2.493 764 I HA -0.129 4.040 4.170 -0.002 0.000 0.254 764 I C 2.530 178.650 176.117 0.005 0.000 1.160 764 I CA 1.624 62.928 61.300 0.007 0.000 1.445 764 I CB -0.281 37.720 38.000 0.001 0.000 1.086 764 I HN 0.335 nan 8.210 nan 0.000 0.433 765 S N 0.009 115.711 115.700 0.003 0.000 2.406 765 S HA -0.108 4.361 4.470 -0.002 0.000 0.224 765 S C 2.011 176.612 174.600 0.002 0.000 1.030 765 S CA 0.712 58.913 58.200 0.001 0.000 0.958 765 S CB 0.016 63.216 63.200 -0.000 0.000 0.811 765 S HN 0.349 nan 8.310 nan 0.000 0.489 766 Q N 0.899 120.701 119.800 0.003 0.000 2.077 766 Q HA -0.138 4.201 4.340 -0.002 0.000 0.206 766 Q C 2.172 178.174 176.000 0.003 0.000 0.989 766 Q CA 1.294 57.099 55.803 0.003 0.000 0.853 766 Q CB -0.660 28.081 28.738 0.005 0.000 0.907 766 Q HN 0.462 nan 8.270 nan 0.000 0.418 767 L N 1.324 122.551 121.223 0.007 0.000 1.961 767 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 767 L C 2.140 179.011 176.870 0.002 0.000 1.072 767 L CA 1.853 56.699 54.840 0.008 0.000 0.749 767 L CB -0.578 41.494 42.059 0.022 0.000 0.889 767 L HN 0.198 nan 8.230 nan 0.000 0.432 768 K N -0.543 119.859 120.400 0.004 0.000 2.127 768 K HA -0.298 4.021 4.320 -0.002 0.000 0.208 768 K C 1.997 178.593 176.600 -0.006 0.000 1.047 768 K CA 1.992 58.278 56.287 -0.002 0.000 0.927 768 K CB -0.139 32.361 32.500 0.000 0.000 0.716 768 K HN 0.318 nan 8.250 nan 0.000 0.450 769 Q N 1.419 121.217 119.800 -0.004 0.000 1.942 769 Q HA -0.145 4.194 4.340 -0.002 0.000 0.203 769 Q C 1.823 177.819 176.000 -0.008 0.000 0.987 769 Q CA 1.747 57.547 55.803 -0.005 0.000 0.844 769 Q CB -0.024 28.712 28.738 -0.003 0.000 0.911 769 Q HN -0.025 nan 8.270 nan 0.000 0.423 770 K N 0.319 120.713 120.400 -0.009 0.000 2.127 770 K HA -0.150 4.169 4.320 -0.002 0.000 0.208 770 K C 2.126 178.714 176.600 -0.019 0.000 1.047 770 K CA 1.231 57.510 56.287 -0.013 0.000 0.927 770 K CB -0.770 31.721 32.500 -0.015 0.000 0.716 770 K HN 0.334 nan 8.250 nan 0.000 0.450 771 L N 0.859 122.068 121.223 -0.023 0.000 2.012 771 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 771 L C 2.304 179.158 176.870 -0.027 0.000 1.073 771 L CA 1.570 56.390 54.840 -0.034 0.000 0.748 771 L CB -0.541 41.493 42.059 -0.041 0.000 0.891 771 L HN 0.315 nan 8.230 nan 0.000 0.431 772 E N 0.009 120.197 120.200 -0.020 0.000 2.150 772 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 772 E C 1.819 178.415 176.600 -0.007 0.000 0.985 772 E CA 0.927 57.319 56.400 -0.013 0.000 0.814 772 E CB -0.175 29.519 29.700 -0.010 0.000 0.752 772 E HN 0.477 nan 8.360 nan 0.000 0.466 773 N N 0.699 119.395 118.700 -0.007 0.000 2.272 773 N HA -0.142 4.597 4.740 -0.002 0.000 0.185 773 N C 1.684 177.194 175.510 -0.001 0.000 1.014 773 N CA 0.917 53.965 53.050 -0.003 0.000 0.870 773 N CB -0.071 38.413 38.487 -0.005 0.000 0.975 773 N HN 0.193 nan 8.380 nan 0.000 0.433 774 L N -0.764 120.457 121.223 -0.003 0.000 2.202 774 L HA 0.053 4.392 4.340 -0.002 0.000 0.205 774 L C 2.211 179.091 176.870 0.016 0.000 1.083 774 L CA 0.445 55.287 54.840 0.004 0.000 0.790 774 L CB -0.409 41.648 42.059 -0.004 0.000 0.942 774 L HN 0.047 nan 8.230 nan 0.000 0.452 775 Q N 0.991 120.798 119.800 0.012 0.000 2.181 775 Q HA -0.190 4.149 4.340 -0.002 0.000 0.205 775 Q C 1.866 177.880 176.000 0.024 0.000 0.980 775 Q CA 1.526 57.342 55.803 0.022 0.000 0.862 775 Q CB -0.094 28.648 28.738 0.006 0.000 0.905 775 Q HN 0.414 nan 8.270 nan 0.000 0.429 776 N N -0.513 118.197 118.700 0.016 0.000 2.019 776 N HA -0.175 4.564 4.740 -0.002 0.000 0.198 776 N C 0.760 176.283 175.510 0.022 0.000 1.065 776 N CA 1.959 55.018 53.050 0.016 0.000 0.881 776 N CB -0.649 37.845 38.487 0.012 0.000 1.079 776 N HN 0.214 nan 8.380 nan 0.000 0.460 777 S N -0.480 115.233 115.700 0.023 0.000 3.025 777 S HA 0.211 4.680 4.470 -0.002 0.000 0.251 777 S C 0.208 174.827 174.600 0.031 0.000 0.954 777 S CA -0.524 57.692 58.200 0.027 0.000 1.092 777 S CB 0.111 63.325 63.200 0.023 0.000 1.079 777 S HN 0.142 nan 8.310 nan 0.000 0.543 778 Q N 0.397 120.216 119.800 0.032 0.000 2.619 778 Q HA 0.362 4.701 4.340 -0.002 0.000 0.195 778 Q C 0.441 176.468 176.000 0.045 0.000 0.910 778 Q CA -0.018 55.804 55.803 0.032 0.000 0.862 778 Q CB -1.031 27.720 28.738 0.021 0.000 1.123 778 Q HN 0.515 nan 8.270 nan 0.000 0.636 779 L N 4.953 126.206 121.223 0.051 0.000 2.737 779 L HA 0.066 4.405 4.340 -0.002 0.000 0.275 779 L C -2.284 174.650 176.870 0.106 0.000 1.179 779 L CA -0.842 54.046 54.840 0.080 0.000 0.970 779 L CB -0.534 41.592 42.059 0.111 0.000 1.268 779 L HN -0.043 nan 8.230 nan 0.000 0.485 780 P HA -0.062 nan 4.420 nan 0.000 0.269 780 P C 0.643 178.024 177.300 0.134 0.000 1.200 780 P CA -0.055 63.116 63.100 0.118 0.000 0.779 780 P CB 0.487 32.261 31.700 0.122 0.000 0.841 781 E N 0.416 120.677 120.200 0.102 0.000 2.086 781 E HA -0.171 4.178 4.350 -0.002 0.000 0.205 781 E C 0.387 177.040 176.600 0.088 0.000 1.027 781 E CA 2.125 58.575 56.400 0.083 0.000 0.830 781 E CB -0.360 29.376 29.700 0.059 0.000 0.751 781 E HN 0.610 nan 8.360 nan 0.000 0.456 782 S N -0.375 115.369 115.700 0.074 0.000 2.392 782 S HA 0.299 4.768 4.470 -0.002 0.000 0.246 782 S C -0.193 174.373 174.600 -0.056 0.000 0.999 782 S CA -1.065 57.136 58.200 0.002 0.000 1.059 782 S CB -0.724 62.432 63.200 -0.074 0.000 1.194 782 S HN 0.148 nan 8.310 nan 0.000 0.421 783 F N 1.424 121.329 119.950 -0.075 0.000 2.408 783 F HA 0.690 5.216 4.527 -0.002 0.000 0.303 783 F C 0.638 176.337 175.800 -0.168 0.000 1.268 783 F CA -1.050 56.880 58.000 -0.117 0.000 1.218 783 F CB 0.474 39.417 39.000 -0.094 0.000 1.283 783 F HN 0.723 nan 8.300 nan 0.000 0.545 784 R N 0.629 121.058 120.500 -0.118 0.000 2.532 784 R HA 0.553 4.892 4.340 -0.002 0.000 0.295 784 R C -1.539 174.627 176.300 -0.222 0.000 0.968 784 R CA -0.936 54.986 56.100 -0.298 0.000 0.916 784 R CB 1.587 31.731 30.300 -0.259 0.000 1.124 784 R HN 0.708 nan 8.270 nan 0.000 0.463 785 V N 7.872 127.531 119.914 -0.425 0.000 2.409 785 V HA 0.046 4.165 4.120 -0.002 0.000 0.270 785 V C -1.595 174.208 176.094 -0.484 0.000 1.019 785 V CA -1.014 61.004 62.300 -0.471 0.000 1.066 785 V CB 0.822 32.252 31.823 -0.655 0.000 1.021 785 V HN 0.805 nan 8.190 nan 0.000 0.476 786 P HA -0.228 nan 4.420 nan 0.000 0.216 786 P C 1.391 178.586 177.300 -0.175 0.000 1.167 786 P CA 1.920 64.801 63.100 -0.366 0.000 0.914 786 P CB -0.099 31.044 31.700 -0.927 0.000 0.793 787 Y N -2.518 117.750 120.300 -0.053 0.000 2.632 787 Y HA 0.203 4.752 4.550 -0.001 0.000 0.301 787 Y C 0.355 176.369 175.900 0.190 0.000 1.172 787 Y CA 0.109 58.299 58.100 0.150 0.000 1.328 787 Y CB -0.839 37.671 38.460 0.083 0.000 1.016 787 Y HN -0.105 nan 8.280 nan 0.000 0.529 788 D N 1.121 121.440 120.400 -0.136 0.000 2.714 788 D HA 0.162 4.801 4.640 -0.002 0.000 0.264 788 D C -2.207 173.906 176.300 -0.313 0.000 1.231 788 D CA -2.077 51.883 54.000 -0.066 0.000 0.802 788 D CB 1.076 41.868 40.800 -0.014 0.000 1.319 788 D HN -0.019 nan 8.370 nan 0.000 0.528 789 P HA -0.102 nan 4.420 nan 0.000 0.220 789 P C 1.355 178.371 177.300 -0.474 0.000 1.144 789 P CA 0.813 63.437 63.100 -0.793 0.000 0.800 789 P CB 0.302 31.235 31.700 -1.279 0.000 0.772 790 G N -0.235 108.393 108.800 -0.287 0.000 2.448 790 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.218 790 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.218 790 G C 0.794 175.556 174.900 -0.230 0.000 1.135 790 G CA -0.040 44.939 45.100 -0.200 0.000 0.784 790 G HN 0.235 nan 8.290 nan 0.000 0.543 791 L N 1.233 122.312 121.223 -0.240 0.000 2.305 791 L HA 0.326 4.665 4.340 -0.002 0.000 0.281 791 L C -0.237 176.443 176.870 -0.317 0.000 1.085 791 L CA -0.473 54.221 54.840 -0.243 0.000 0.813 791 L CB 1.379 43.315 42.059 -0.204 0.000 1.157 791 L HN -0.059 nan 8.230 nan 0.000 0.436 792 K N 3.577 123.802 120.400 -0.292 0.000 2.293 792 K HA 0.503 4.822 4.320 -0.002 0.000 0.267 792 K C -0.592 175.781 176.600 -0.378 0.000 1.010 792 K CA -0.374 55.709 56.287 -0.339 0.000 0.875 792 K CB 1.956 34.308 32.500 -0.247 0.000 1.106 792 K HN 0.603 nan 8.250 nan 0.000 0.450 793 A N 2.878 125.316 122.820 -0.637 0.000 2.274 793 A HA 0.634 4.953 4.320 -0.002 0.000 0.309 793 A C 0.608 177.946 177.584 -0.411 0.000 1.226 793 A CA -0.270 51.391 52.037 -0.627 0.000 0.853 793 A CB 0.837 19.114 19.000 -1.205 0.000 1.146 793 A HN 0.752 nan 8.150 nan 0.000 0.518 794 G N 0.808 109.556 108.800 -0.086 0.000 2.829 794 G HA2 0.568 4.527 3.960 -0.002 0.000 0.173 794 G HA3 0.568 4.527 3.960 -0.002 0.000 0.173 794 G C 0.641 175.670 174.900 0.216 0.000 1.476 794 G CA 0.040 45.161 45.100 0.034 0.000 1.072 794 G HN 1.401 nan 8.290 nan 0.000 0.577 795 A N -1.222 121.687 122.820 0.149 0.000 2.448 795 A HA 0.478 4.797 4.320 -0.002 0.000 0.239 795 A C 0.751 178.387 177.584 0.086 0.000 1.080 795 A CA -0.206 51.913 52.037 0.138 0.000 0.779 795 A CB -0.079 18.958 19.000 0.062 0.000 1.026 795 A HN 0.502 nan 8.150 nan 0.000 0.499 796 L N 0.073 121.246 121.223 -0.083 0.000 2.469 796 L HA 0.372 4.711 4.340 -0.002 0.000 0.172 796 L C 1.094 177.822 176.870 -0.236 0.000 1.042 796 L CA 0.878 55.452 54.840 -0.443 0.000 0.992 796 L CB 0.194 41.994 42.059 -0.432 0.000 1.556 796 L HN 0.845 nan 8.230 nan 0.000 0.497 797 A N -0.982 121.696 122.820 -0.236 0.000 3.426 797 A HA 0.316 4.635 4.320 -0.002 0.000 0.222 797 A C 0.538 178.081 177.584 -0.067 0.000 1.090 797 A CA -0.486 51.493 52.037 -0.097 0.000 1.026 797 A CB -0.365 18.606 19.000 -0.048 0.000 1.342 797 A HN 0.483 nan 8.150 nan 0.000 0.695 798 I N 1.105 121.631 120.570 -0.073 0.000 2.191 798 I HA -0.447 3.723 4.170 -0.002 0.000 0.248 798 I C 2.625 178.738 176.117 -0.006 0.000 1.061 798 I CA 2.607 63.882 61.300 -0.040 0.000 1.329 798 I CB -0.443 37.538 38.000 -0.031 0.000 1.024 798 I HN 0.794 nan 8.210 nan 0.000 0.423 799 E N 1.327 121.526 120.200 -0.002 0.000 2.070 799 E HA -0.294 4.055 4.350 -0.002 0.000 0.197 799 E C 1.753 178.369 176.600 0.027 0.000 1.004 799 E CA 1.727 58.133 56.400 0.010 0.000 0.805 799 E CB -0.575 29.132 29.700 0.011 0.000 0.744 799 E HN 0.541 nan 8.360 nan 0.000 0.451 800 K N 0.095 120.526 120.400 0.050 0.000 2.444 800 K HA 0.165 4.485 4.320 -0.002 0.000 0.193 800 K C -0.134 176.566 176.600 0.166 0.000 1.024 800 K CA -0.200 56.146 56.287 0.099 0.000 1.077 800 K CB 0.286 32.873 32.500 0.145 0.000 0.833 800 K HN 0.139 nan 8.250 nan 0.000 0.517 801 C N 2.260 121.635 119.300 0.125 0.000 2.405 801 C HA 0.375 4.834 4.460 -0.002 0.000 0.365 801 C C 0.473 175.535 174.990 0.120 0.000 1.233 801 C CA -0.680 58.447 59.018 0.181 0.000 2.230 801 C CB 0.179 27.972 27.740 0.088 0.000 2.443 801 C HN 0.518 nan 8.230 nan 0.000 0.556 802 K N 0.322 120.820 120.400 0.163 0.000 2.315 802 K HA 0.750 5.069 4.320 -0.002 0.000 0.264 802 K C -2.079 174.599 176.600 0.129 0.000 0.928 802 K CA -0.675 55.662 56.287 0.083 0.000 0.768 802 K CB 1.000 33.489 32.500 -0.019 0.000 1.477 802 K HN 0.196 nan 8.250 nan 0.000 0.363 803 V N 1.770 121.735 119.914 0.085 0.000 2.419 803 V HA 0.288 4.407 4.120 -0.002 0.000 0.287 803 V C -0.278 175.869 176.094 0.088 0.000 1.017 803 V CA -0.703 61.661 62.300 0.107 0.000 0.844 803 V CB 1.109 32.980 31.823 0.080 0.000 1.011 803 V HN 0.674 nan 8.190 nan 0.000 0.429 804 M N 3.131 122.806 119.600 0.125 0.000 2.219 804 M HA 0.034 4.513 4.480 -0.002 0.000 0.340 804 M C 1.100 177.441 176.300 0.068 0.000 1.135 804 M CA 0.638 55.992 55.300 0.091 0.000 0.976 804 M CB 0.441 33.123 32.600 0.137 0.000 1.713 804 M HN 0.778 nan 8.290 nan 0.000 0.457 805 A N 3.280 126.126 122.820 0.044 0.000 3.029 805 A HA 0.237 4.556 4.320 -0.002 0.000 0.251 805 A C 0.301 177.918 177.584 0.055 0.000 1.749 805 A CA 0.061 52.134 52.037 0.060 0.000 1.386 805 A CB -0.512 18.518 19.000 0.050 0.000 1.043 805 A HN 0.668 nan 8.150 nan 0.000 0.638 806 S N -0.491 115.245 115.700 0.060 0.000 2.537 806 S HA 0.448 4.917 4.470 -0.002 0.000 0.301 806 S C 0.726 175.362 174.600 0.061 0.000 1.092 806 S CA -0.680 57.540 58.200 0.033 0.000 1.048 806 S CB 0.965 64.185 63.200 0.033 0.000 1.053 806 S HN 0.391 nan 8.310 nan 0.000 0.501 807 K N 2.404 122.821 120.400 0.028 0.000 2.585 807 K HA 0.079 4.399 4.320 -0.002 0.000 0.194 807 K C 0.982 177.623 176.600 0.069 0.000 1.037 807 K CA 0.988 57.318 56.287 0.072 0.000 0.964 807 K CB -0.063 32.445 32.500 0.013 0.000 0.787 807 K HN 0.487 nan 8.250 nan 0.000 0.488 808 K N -0.172 120.265 120.400 0.062 0.000 2.425 808 K HA 0.134 4.453 4.320 -0.002 0.000 0.201 808 K C -0.551 176.109 176.600 0.100 0.000 1.128 808 K CA -0.233 56.099 56.287 0.075 0.000 1.000 808 K CB 0.743 33.274 32.500 0.052 0.000 0.961 808 K HN -0.164 nan 8.250 nan 0.000 0.555 809 K N 1.061 121.518 120.400 0.095 0.000 4.361 809 K HA -0.101 4.218 4.320 -0.002 0.000 0.294 809 K C -2.847 173.827 176.600 0.122 0.000 0.970 809 K CA 0.239 56.587 56.287 0.102 0.000 0.913 809 K CB -1.815 30.741 32.500 0.093 0.000 1.583 809 K HN 0.204 nan 8.250 nan 0.000 0.438 810 P HA 0.271 nan 4.420 nan 0.000 0.312 810 P C 0.113 177.526 177.300 0.188 0.000 1.307 810 P CA -0.529 62.670 63.100 0.166 0.000 0.738 810 P CB 0.610 32.404 31.700 0.158 0.000 1.422 811 L N -0.546 120.819 121.223 0.236 0.000 2.471 811 L HA 0.272 4.611 4.340 -0.002 0.000 0.263 811 L C -0.856 176.204 176.870 0.316 0.000 0.985 811 L CA -0.517 54.471 54.840 0.247 0.000 0.868 811 L CB 0.912 43.092 42.059 0.201 0.000 1.203 811 L HN 0.480 nan 8.230 nan 0.000 0.429 812 W N 6.802 128.173 121.300 0.119 0.000 2.485 812 W HA 0.424 5.083 4.660 -0.001 0.000 0.315 812 W C -1.735 174.860 176.519 0.127 0.000 1.304 812 W CA -0.224 57.195 57.345 0.124 0.000 1.345 812 W CB 0.663 30.174 29.460 0.085 0.000 1.368 812 W HN 0.358 nan 8.180 nan 0.000 0.497 813 L N 6.341 127.636 121.223 0.120 0.000 2.346 813 L HA 0.424 4.763 4.340 -0.002 0.000 0.274 813 L C 0.191 177.120 176.870 0.098 0.000 1.007 813 L CA -0.767 54.168 54.840 0.159 0.000 0.818 813 L CB 2.148 44.381 42.059 0.290 0.000 1.284 813 L HN 0.238 nan 8.230 nan 0.000 0.424 814 E N 2.314 122.545 120.200 0.053 0.000 2.212 814 E HA 0.590 4.939 4.350 -0.002 0.000 0.268 814 E C -1.530 175.040 176.600 -0.050 0.000 0.902 814 E CA -0.580 55.882 56.400 0.104 0.000 0.779 814 E CB 2.877 32.665 29.700 0.146 0.000 1.172 814 E HN 0.197 nan 8.360 nan 0.000 0.409 815 F N 0.698 120.693 119.950 0.074 0.000 2.577 815 F HA 0.370 4.896 4.527 -0.002 0.000 0.318 815 F C 0.533 176.349 175.800 0.026 0.000 1.065 815 F CA -0.915 57.122 58.000 0.063 0.000 0.929 815 F CB 1.624 40.666 39.000 0.069 0.000 1.237 815 F HN 0.045 nan 8.300 nan 0.000 0.468 816 K N 0.519 121.026 120.400 0.177 0.000 2.118 816 K HA 0.392 4.712 4.320 -0.002 0.000 0.264 816 K C -0.831 175.808 176.600 0.064 0.000 1.000 816 K CA -0.627 55.715 56.287 0.092 0.000 0.929 816 K CB 1.441 33.974 32.500 0.056 0.000 1.021 816 K HN 0.651 nan 8.250 nan 0.000 0.463 817 C N 2.385 121.696 119.300 0.019 0.000 2.482 817 C HA 0.280 4.739 4.460 -0.002 0.000 0.378 817 C C 1.669 176.631 174.990 -0.047 0.000 1.284 817 C CA -0.349 58.648 59.018 -0.034 0.000 1.826 817 C CB -1.011 26.708 27.740 -0.035 0.000 2.473 817 C HN 0.909 nan 8.230 nan 0.000 0.562 818 A N 3.865 126.636 122.820 -0.082 0.000 2.125 818 A HA -0.040 4.279 4.320 -0.002 0.000 0.219 818 A C 0.874 178.416 177.584 -0.071 0.000 1.156 818 A CA 1.218 53.211 52.037 -0.072 0.000 0.671 818 A CB -0.349 18.588 19.000 -0.104 0.000 0.794 818 A HN 0.935 nan 8.150 nan 0.000 0.459 819 D N -0.777 119.571 120.400 -0.087 0.000 2.380 819 D HA 0.392 5.031 4.640 -0.002 0.000 0.230 819 D C -2.001 174.258 176.300 -0.068 0.000 1.154 819 D CA -1.856 52.092 54.000 -0.087 0.000 0.859 819 D CB 1.051 41.779 40.800 -0.120 0.000 1.045 819 D HN 0.011 nan 8.370 nan 0.000 0.495 820 P HA -0.028 nan 4.420 nan 0.000 0.236 820 P C 0.520 177.794 177.300 -0.042 0.000 1.172 820 P CA 0.672 63.750 63.100 -0.037 0.000 0.759 820 P CB 0.416 32.101 31.700 -0.026 0.000 0.843 821 T N -1.642 112.873 114.554 -0.065 0.000 3.051 821 T HA 0.184 4.533 4.350 -0.002 0.000 0.255 821 T C 1.016 175.655 174.700 -0.102 0.000 1.085 821 T CA 0.002 62.054 62.100 -0.079 0.000 1.109 821 T CB -0.183 68.621 68.868 -0.106 0.000 0.921 821 T HN 0.051 nan 8.240 nan 0.000 0.488 822 A N 2.903 125.669 122.820 -0.091 0.000 2.537 822 A HA 0.249 4.568 4.320 -0.002 0.000 0.260 822 A C 0.491 178.034 177.584 -0.069 0.000 1.082 822 A CA -0.128 51.860 52.037 -0.081 0.000 0.765 822 A CB -0.313 18.653 19.000 -0.056 0.000 1.019 822 A HN 0.288 nan 8.150 nan 0.000 0.507 823 L N 3.232 124.395 121.223 -0.100 0.000 2.650 823 L HA 0.263 4.602 4.340 -0.002 0.000 0.239 823 L C 0.836 177.681 176.870 -0.041 0.000 1.412 823 L CA 0.975 55.758 54.840 -0.095 0.000 1.219 823 L CB -1.921 40.012 42.059 -0.210 0.000 1.534 823 L HN 0.756 nan 8.230 nan 0.000 0.430 824 S N 0.182 115.873 115.700 -0.014 0.000 2.578 824 S HA 0.193 4.662 4.470 -0.002 0.000 0.285 824 S C 0.464 175.075 174.600 0.018 0.000 1.126 824 S CA -0.689 57.518 58.200 0.012 0.000 0.878 824 S CB 0.893 64.113 63.200 0.033 0.000 1.091 824 S HN 0.505 nan 8.310 nan 0.000 0.450 825 N N 1.600 120.316 118.700 0.027 0.000 2.373 825 N HA 0.040 4.779 4.740 -0.002 0.000 0.181 825 N C 0.292 175.829 175.510 0.045 0.000 1.082 825 N CA -0.049 53.020 53.050 0.030 0.000 0.885 825 N CB 0.046 38.551 38.487 0.030 0.000 0.977 825 N HN 0.767 nan 8.380 nan 0.000 0.462 826 E N 1.857 122.089 120.200 0.054 0.000 2.708 826 E HA -0.105 4.244 4.350 -0.002 0.000 0.260 826 E C 0.224 176.871 176.600 0.077 0.000 0.937 826 E CA 0.232 56.675 56.400 0.072 0.000 0.953 826 E CB 0.614 30.362 29.700 0.079 0.000 0.915 826 E HN 0.237 nan 8.360 nan 0.000 0.487 827 T N 1.878 116.488 114.554 0.095 0.000 2.753 827 T HA 0.383 4.733 4.350 -0.002 0.000 0.309 827 T C 0.555 175.325 174.700 0.116 0.000 1.043 827 T CA -0.599 61.566 62.100 0.107 0.000 0.964 827 T CB 0.475 69.417 68.868 0.124 0.000 1.206 827 T HN 0.406 nan 8.240 nan 0.000 0.528 828 I N 0.771 121.432 120.570 0.150 0.000 2.382 828 I HA 0.457 4.626 4.170 -0.002 0.000 0.286 828 I C 0.660 176.878 176.117 0.168 0.000 1.002 828 I CA -1.015 60.373 61.300 0.147 0.000 1.135 828 I CB 1.497 39.570 38.000 0.120 0.000 1.288 828 I HN 0.901 nan 8.210 nan 0.000 0.448 829 G N 7.731 116.572 108.800 0.068 0.000 2.327 829 G HA2 0.707 4.666 3.960 -0.002 0.000 0.302 829 G HA3 0.707 4.666 3.960 -0.002 0.000 0.302 829 G C -0.605 174.260 174.900 -0.058 0.000 1.113 829 G CA -0.245 44.794 45.100 -0.102 0.000 0.921 829 G HN 0.500 nan 8.290 nan 0.000 0.425 830 I N 2.119 122.684 120.570 -0.008 0.000 2.647 830 I HA 0.446 4.615 4.170 -0.002 0.000 0.295 830 I C -0.440 175.709 176.117 0.053 0.000 1.078 830 I CA -0.821 60.538 61.300 0.099 0.000 1.048 830 I CB 2.555 40.721 38.000 0.278 0.000 1.239 830 I HN 0.217 nan 8.210 nan 0.000 0.421 831 I N 4.187 124.759 120.570 0.003 0.000 2.693 831 I HA 0.451 4.620 4.170 -0.002 0.000 0.303 831 I C -1.324 174.833 176.117 0.066 0.000 1.025 831 I CA -0.624 60.716 61.300 0.066 0.000 1.086 831 I CB 2.172 40.161 38.000 -0.019 0.000 1.268 831 I HN 0.313 nan 8.210 nan 0.000 0.440 832 F N 4.354 124.345 119.950 0.069 0.000 2.536 832 F HA 0.500 5.026 4.527 -0.002 0.000 0.322 832 F C -0.071 175.784 175.800 0.091 0.000 1.144 832 F CA -0.581 57.465 58.000 0.076 0.000 0.924 832 F CB 1.686 40.733 39.000 0.078 0.000 1.181 832 F HN 0.234 nan 8.300 nan 0.000 0.438 833 K N 1.981 122.494 120.400 0.187 0.000 2.444 833 K HA 0.608 4.927 4.320 -0.002 0.000 0.252 833 K C -1.994 174.731 176.600 0.208 0.000 0.993 833 K CA -0.894 55.498 56.287 0.175 0.000 0.847 833 K CB 2.218 34.779 32.500 0.101 0.000 1.340 833 K HN 0.784 nan 8.250 nan 0.000 0.446 834 H N -0.399 118.725 119.070 0.090 0.000 2.865 834 H HA 0.473 5.028 4.556 -0.002 0.000 0.362 834 H C 0.082 175.447 175.328 0.060 0.000 1.114 834 H CA 0.700 56.795 56.048 0.078 0.000 1.208 834 H CB 2.061 31.874 29.762 0.085 0.000 1.727 834 H HN 0.725 nan 8.280 nan 0.000 0.534 835 G N 3.776 112.190 108.800 -0.643 0.000 2.617 835 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.197 835 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.197 835 G C -0.749 174.033 174.900 -0.196 0.000 1.017 835 G CA 0.054 44.918 45.100 -0.392 0.000 0.713 835 G HN 0.634 nan 8.290 nan 0.000 0.481 836 D N 1.127 121.453 120.400 -0.123 0.000 2.375 836 D HA 0.458 5.097 4.640 -0.002 0.000 0.247 836 D C -1.147 175.133 176.300 -0.033 0.000 1.061 836 D CA -0.374 53.593 54.000 -0.055 0.000 0.834 836 D CB 1.906 42.695 40.800 -0.018 0.000 1.247 836 D HN 0.148 nan 8.370 nan 0.000 0.489 837 D N 2.107 122.497 120.400 -0.018 0.000 2.367 837 D HA 0.035 4.674 4.640 -0.002 0.000 0.255 837 D C 1.168 177.476 176.300 0.013 0.000 1.300 837 D CA -0.054 53.944 54.000 -0.002 0.000 0.959 837 D CB 0.234 41.032 40.800 -0.004 0.000 1.064 837 D HN 0.277 nan 8.370 nan 0.000 0.509 838 L N 2.970 124.206 121.223 0.021 0.000 2.549 838 L HA -0.063 4.276 4.340 -0.002 0.000 0.230 838 L C 2.328 179.204 176.870 0.010 0.000 1.162 838 L CA 0.427 55.285 54.840 0.031 0.000 0.834 838 L CB -0.218 41.858 42.059 0.029 0.000 0.947 838 L HN 0.411 nan 8.230 nan 0.000 0.452 839 R N -0.217 120.279 120.500 -0.006 0.000 2.115 839 R HA -0.150 4.190 4.340 -0.002 0.000 0.230 839 R C 2.213 178.475 176.300 -0.064 0.000 1.111 839 R CA 1.222 57.298 56.100 -0.040 0.000 0.976 839 R CB -0.103 30.173 30.300 -0.040 0.000 0.870 839 R HN 0.538 nan 8.270 nan 0.000 0.445 840 Q N 0.116 119.893 119.800 -0.038 0.000 2.083 840 Q HA -0.131 4.208 4.340 -0.002 0.000 0.198 840 Q C 1.359 177.331 176.000 -0.047 0.000 0.969 840 Q CA 1.336 57.111 55.803 -0.047 0.000 0.838 840 Q CB -0.006 28.726 28.738 -0.011 0.000 0.900 840 Q HN 0.255 nan 8.270 nan 0.000 0.436 841 D N 0.560 120.972 120.400 0.020 0.000 2.149 841 D HA -0.151 4.488 4.640 -0.002 0.000 0.198 841 D C 1.741 177.987 176.300 -0.091 0.000 0.990 841 D CA 1.221 55.251 54.000 0.051 0.000 0.839 841 D CB 0.009 40.915 40.800 0.177 0.000 0.948 841 D HN 0.172 nan 8.370 nan 0.000 0.460 842 M N -0.509 119.038 119.600 -0.088 0.000 2.059 842 M HA -0.159 4.320 4.480 -0.002 0.000 0.259 842 M C 1.813 177.981 176.300 -0.219 0.000 1.072 842 M CA 0.882 56.097 55.300 -0.141 0.000 1.117 842 M CB -0.228 32.291 32.600 -0.135 0.000 1.320 842 M HN 0.065 nan 8.290 nan 0.000 0.408 843 L N 0.672 121.764 121.223 -0.218 0.000 1.978 843 L HA -0.265 4.074 4.340 -0.002 0.000 0.218 843 L C 2.324 179.045 176.870 -0.247 0.000 1.075 843 L CA 1.927 56.630 54.840 -0.229 0.000 0.767 843 L CB -1.081 40.861 42.059 -0.195 0.000 0.890 843 L HN 0.318 nan 8.230 nan 0.000 0.434 844 I N -1.167 119.233 120.570 -0.283 0.000 2.248 844 I HA -0.309 3.860 4.170 -0.002 0.000 0.248 844 I C 2.403 178.227 176.117 -0.490 0.000 1.107 844 I CA 1.154 62.214 61.300 -0.400 0.000 1.373 844 I CB -0.793 36.843 38.000 -0.607 0.000 1.055 844 I HN 0.260 nan 8.210 nan 0.000 0.418 845 L N 0.184 121.128 121.223 -0.465 0.000 2.072 845 L HA -0.168 4.171 4.340 -0.002 0.000 0.205 845 L C 2.514 179.200 176.870 -0.307 0.000 1.079 845 L CA 1.603 56.191 54.840 -0.420 0.000 0.752 845 L CB -1.311 40.525 42.059 -0.372 0.000 0.906 845 L HN 0.224 nan 8.230 nan 0.000 0.436 846 Q N -0.420 119.218 119.800 -0.270 0.000 2.167 846 Q HA -0.107 4.232 4.340 -0.002 0.000 0.202 846 Q C 2.090 177.962 176.000 -0.214 0.000 0.970 846 Q CA 1.331 56.990 55.803 -0.239 0.000 0.855 846 Q CB -0.108 28.486 28.738 -0.241 0.000 0.911 846 Q HN 0.400 nan 8.270 nan 0.000 0.438 847 I N -0.165 120.281 120.570 -0.206 0.000 2.286 847 I HA -0.235 3.934 4.170 -0.002 0.000 0.248 847 I C 1.623 177.618 176.117 -0.204 0.000 1.115 847 I CA 0.725 61.924 61.300 -0.168 0.000 1.392 847 I CB -0.645 37.271 38.000 -0.139 0.000 1.065 847 I HN 0.254 nan 8.210 nan 0.000 0.418 848 L N 0.610 121.692 121.223 -0.235 0.000 2.131 848 L HA -0.138 4.201 4.340 -0.002 0.000 0.210 848 L C 2.617 179.357 176.870 -0.217 0.000 1.092 848 L CA 1.647 56.341 54.840 -0.244 0.000 0.759 848 L CB -0.854 41.057 42.059 -0.245 0.000 0.903 848 L HN 0.146 nan 8.230 nan 0.000 0.435 849 R N -1.137 119.249 120.500 -0.190 0.000 2.148 849 R HA -0.060 4.279 4.340 -0.002 0.000 0.223 849 R C 2.037 178.289 176.300 -0.081 0.000 1.088 849 R CA 0.688 56.707 56.100 -0.135 0.000 0.985 849 R CB -0.099 30.085 30.300 -0.194 0.000 0.880 849 R HN 0.246 nan 8.270 nan 0.000 0.451 850 I N 0.829 121.317 120.570 -0.137 0.000 2.163 850 I HA -0.250 3.919 4.170 -0.002 0.000 0.240 850 I C 2.277 178.216 176.117 -0.297 0.000 1.081 850 I CA 1.638 62.848 61.300 -0.149 0.000 1.353 850 I CB -0.849 37.068 38.000 -0.139 0.000 1.054 850 I HN 0.212 nan 8.210 nan 0.000 0.407 851 M N 0.025 119.369 119.600 -0.427 0.000 2.267 851 M HA -0.220 4.259 4.480 -0.002 0.000 0.263 851 M C 2.060 177.797 176.300 -0.939 0.000 1.063 851 M CA 1.606 56.401 55.300 -0.841 0.000 1.090 851 M CB -0.435 31.602 32.600 -0.937 0.000 1.392 851 M HN 0.245 nan 8.290 nan 0.000 0.422 852 E N -0.156 119.819 120.200 -0.376 0.000 2.072 852 E HA -0.141 4.208 4.350 -0.002 0.000 0.190 852 E C 2.200 178.819 176.600 0.031 0.000 0.982 852 E CA 1.606 58.004 56.400 -0.003 0.000 0.803 852 E CB -0.001 29.739 29.700 0.067 0.000 0.755 852 E HN 0.553 nan 8.360 nan 0.000 0.453 853 S N 0.694 116.357 115.700 -0.062 0.000 2.406 853 S HA -0.057 4.412 4.470 -0.002 0.000 0.228 853 S C 2.064 176.588 174.600 -0.126 0.000 1.020 853 S CA 0.348 58.505 58.200 -0.072 0.000 0.965 853 S CB -0.311 62.749 63.200 -0.234 0.000 0.798 853 S HN 0.164 nan 8.310 nan 0.000 0.488 854 I N 0.008 120.413 120.570 -0.275 0.000 2.264 854 I HA -0.145 4.024 4.170 -0.002 0.000 0.248 854 I C 2.299 178.363 176.117 -0.088 0.000 1.111 854 I CA 1.251 62.345 61.300 -0.342 0.000 1.382 854 I CB -0.305 37.347 38.000 -0.579 0.000 1.060 854 I HN 0.417 nan 8.210 nan 0.000 0.418 855 W N 0.872 122.170 121.300 -0.003 0.000 2.418 855 W HA -0.124 4.535 4.660 -0.002 0.000 0.292 855 W C 2.449 179.022 176.519 0.090 0.000 1.213 855 W CA 0.796 58.167 57.345 0.043 0.000 1.283 855 W CB -0.929 28.544 29.460 0.021 0.000 1.119 855 W HN 0.281 nan 8.180 nan 0.000 0.542 856 E N 0.500 120.883 120.200 0.306 0.000 2.209 856 E HA -0.224 4.125 4.350 -0.002 0.000 0.196 856 E C 2.075 178.767 176.600 0.153 0.000 0.993 856 E CA 2.259 58.815 56.400 0.261 0.000 0.819 856 E CB -0.002 29.817 29.700 0.199 0.000 0.745 856 E HN 0.174 nan 8.360 nan 0.000 0.477 857 T N -2.060 112.568 114.554 0.123 0.000 2.867 857 T HA -0.117 4.232 4.350 -0.002 0.000 0.268 857 T C 1.569 176.343 174.700 0.124 0.000 1.057 857 T CA 1.280 63.437 62.100 0.095 0.000 1.136 857 T CB -0.066 68.864 68.868 0.103 0.000 0.874 857 T HN 0.107 nan 8.240 nan 0.000 0.466 858 E N 0.610 120.923 120.200 0.187 0.000 2.451 858 E HA 0.312 4.661 4.350 -0.002 0.000 0.194 858 E C -0.484 176.218 176.600 0.170 0.000 1.027 858 E CA -0.258 56.252 56.400 0.184 0.000 0.914 858 E CB -0.037 29.813 29.700 0.250 0.000 1.054 858 E HN 0.382 nan 8.360 nan 0.000 0.461 859 S N 0.542 116.347 115.700 0.174 0.000 3.386 859 S HA -0.205 4.264 4.470 -0.002 0.000 0.403 859 S C -0.584 174.178 174.600 0.271 0.000 0.893 859 S CA 0.501 58.818 58.200 0.195 0.000 1.336 859 S CB -0.863 62.401 63.200 0.108 0.000 0.925 859 S HN 0.404 nan 8.310 nan 0.000 0.589 860 L N 1.827 123.258 121.223 0.347 0.000 2.588 860 L HA 0.465 4.804 4.340 -0.002 0.000 0.263 860 L C -1.341 175.614 176.870 0.142 0.000 0.935 860 L CA -0.564 54.390 54.840 0.189 0.000 0.891 860 L CB 1.725 43.800 42.059 0.027 0.000 1.318 860 L HN 0.325 nan 8.230 nan 0.000 0.409 861 D N 3.950 124.340 120.400 -0.018 0.000 2.248 861 D HA 0.384 5.023 4.640 -0.002 0.000 0.246 861 D C -0.248 176.043 176.300 -0.016 0.000 1.027 861 D CA -0.348 53.569 54.000 -0.138 0.000 0.853 861 D CB 2.322 42.818 40.800 -0.506 0.000 1.243 861 D HN 0.346 nan 8.370 nan 0.000 0.462 862 L N 2.428 123.634 121.223 -0.028 0.000 3.135 862 L HA 0.143 4.482 4.340 -0.002 0.000 0.279 862 L C 0.716 177.624 176.870 0.062 0.000 1.200 862 L CA -0.060 54.752 54.840 -0.047 0.000 1.016 862 L CB -0.962 40.906 42.059 -0.320 0.000 1.391 862 L HN 0.624 nan 8.230 nan 0.000 0.588 863 C N 0.813 120.142 119.300 0.048 0.000 4.185 863 C HA -0.220 4.239 4.460 -0.002 0.000 0.297 863 C C 1.558 176.635 174.990 0.145 0.000 1.463 863 C CA -0.096 58.963 59.018 0.067 0.000 2.032 863 C CB -3.072 24.707 27.740 0.066 0.000 1.282 863 C HN 0.340 nan 8.230 nan 0.000 0.770 864 L N -0.531 120.764 121.223 0.120 0.000 2.483 864 L HA 0.173 4.513 4.340 -0.002 0.000 0.277 864 L C 0.747 177.738 176.870 0.202 0.000 1.248 864 L CA 0.464 55.386 54.840 0.137 0.000 0.825 864 L CB 0.115 42.092 42.059 -0.137 0.000 1.096 864 L HN 0.296 nan 8.230 nan 0.000 0.512 865 L N 2.983 124.408 121.223 0.338 0.000 2.502 865 L HA 0.288 4.627 4.340 -0.002 0.000 0.247 865 L C -2.160 174.725 176.870 0.025 0.000 1.180 865 L CA -1.347 53.544 54.840 0.084 0.000 0.956 865 L CB 1.099 43.028 42.059 -0.215 0.000 1.282 865 L HN 0.333 nan 8.230 nan 0.000 0.470 866 P HA 0.093 nan 4.420 nan 0.000 0.225 866 P C -0.584 176.554 177.300 -0.271 0.000 1.813 866 P CA -0.385 62.581 63.100 -0.223 0.000 1.013 866 P CB -0.528 31.068 31.700 -0.174 0.000 1.961 867 Y N -0.474 119.771 120.300 -0.091 0.000 2.914 867 Y HA 0.210 4.759 4.550 -0.002 0.000 0.348 867 Y C 1.148 176.936 175.900 -0.187 0.000 1.278 867 Y CA -1.118 56.882 58.100 -0.167 0.000 1.491 867 Y CB -0.666 37.669 38.460 -0.208 0.000 1.334 867 Y HN 0.211 nan 8.280 nan 0.000 0.650 868 G N 0.305 109.021 108.800 -0.139 0.000 2.406 868 G HA2 0.331 4.290 3.960 -0.002 0.000 0.251 868 G HA3 0.331 4.290 3.960 -0.002 0.000 0.251 868 G C -1.245 173.530 174.900 -0.208 0.000 1.271 868 G CA -0.209 44.732 45.100 -0.264 0.000 0.859 868 G HN 1.096 nan 8.290 nan 0.000 0.540 869 C N 4.981 124.272 119.300 -0.015 0.000 2.599 869 C HA 0.599 5.058 4.460 -0.002 0.000 0.354 869 C C -0.973 174.063 174.990 0.078 0.000 1.092 869 C CA -1.022 58.019 59.018 0.038 0.000 1.280 869 C CB -0.209 27.585 27.740 0.090 0.000 1.829 869 C HN 0.566 nan 8.230 nan 0.000 0.454 870 I N 5.090 125.694 120.570 0.056 0.000 2.436 870 I HA 0.363 4.532 4.170 -0.002 0.000 0.289 870 I C 0.613 176.736 176.117 0.010 0.000 1.010 870 I CA 0.259 61.592 61.300 0.055 0.000 1.098 870 I CB 1.683 39.647 38.000 -0.060 0.000 1.266 870 I HN 0.745 nan 8.210 nan 0.000 0.434 871 S N 3.793 119.535 115.700 0.070 0.000 2.601 871 S HA 0.534 5.003 4.470 -0.002 0.000 0.271 871 S C 0.885 175.558 174.600 0.121 0.000 1.305 871 S CA 0.407 58.645 58.200 0.064 0.000 1.022 871 S CB 0.716 63.948 63.200 0.054 0.000 0.940 871 S HN 0.817 nan 8.310 nan 0.000 0.525 872 T N 0.494 115.120 114.554 0.120 0.000 3.211 872 T HA 0.404 4.753 4.350 -0.002 0.000 0.261 872 T C 0.669 175.460 174.700 0.152 0.000 0.880 872 T CA 0.214 62.428 62.100 0.190 0.000 0.903 872 T CB -0.226 68.766 68.868 0.207 0.000 1.264 872 T HN 0.825 nan 8.240 nan 0.000 0.532 873 G N 0.866 109.743 108.800 0.129 0.000 3.222 873 G HA2 0.521 4.480 3.960 -0.002 0.000 0.263 873 G HA3 0.521 4.480 3.960 -0.002 0.000 0.263 873 G C -0.515 174.452 174.900 0.112 0.000 1.312 873 G CA -0.077 45.098 45.100 0.125 0.000 0.934 873 G HN 0.033 nan 8.290 nan 0.000 0.577 874 D N 0.381 120.854 120.400 0.122 0.000 2.119 874 D HA -0.092 4.547 4.640 -0.002 0.000 0.199 874 D C 1.128 177.481 176.300 0.088 0.000 0.987 874 D CA 1.168 55.232 54.000 0.107 0.000 0.858 874 D CB 0.037 40.913 40.800 0.127 0.000 1.008 874 D HN 0.346 nan 8.370 nan 0.000 0.450 875 K N 0.123 120.589 120.400 0.110 0.000 2.593 875 K HA 0.224 4.543 4.320 -0.002 0.000 0.208 875 K C -0.142 176.508 176.600 0.084 0.000 1.051 875 K CA -0.199 56.091 56.287 0.004 0.000 1.111 875 K CB 0.806 33.182 32.500 -0.208 0.000 0.849 875 K HN 0.185 nan 8.250 nan 0.000 0.479 876 I N -1.188 119.492 120.570 0.184 0.000 2.947 876 I HA 0.756 4.925 4.170 -0.002 0.000 0.314 876 I C 0.527 176.710 176.117 0.109 0.000 1.028 876 I CA -0.962 60.461 61.300 0.206 0.000 1.077 876 I CB 0.977 39.119 38.000 0.237 0.000 1.274 876 I HN 0.174 nan 8.210 nan 0.000 0.485 877 G N 2.704 111.544 108.800 0.066 0.000 2.324 877 G HA2 0.450 4.409 3.960 -0.002 0.000 0.293 877 G HA3 0.450 4.409 3.960 -0.002 0.000 0.293 877 G C -1.381 173.337 174.900 -0.302 0.000 1.297 877 G CA -0.605 44.458 45.100 -0.062 0.000 0.853 877 G HN 0.881 nan 8.290 nan 0.000 0.535 878 M N -0.954 118.405 119.600 -0.401 0.000 2.690 878 M HA 0.928 5.407 4.480 -0.002 0.000 0.302 878 M C -1.361 174.788 176.300 -0.251 0.000 1.234 878 M CA -1.017 53.910 55.300 -0.621 0.000 0.853 878 M CB 2.427 34.496 32.600 -0.885 0.000 1.748 878 M HN 0.546 nan 8.290 nan 0.000 0.469 879 I N -0.021 120.425 120.570 -0.206 0.000 2.913 879 I HA 0.387 4.556 4.170 -0.002 0.000 0.302 879 I C -0.769 175.182 176.117 -0.276 0.000 1.246 879 I CA -0.706 60.486 61.300 -0.181 0.000 1.010 879 I CB 2.533 40.453 38.000 -0.134 0.000 1.259 879 I HN 0.854 nan 8.210 nan 0.000 0.434 880 E N 3.949 123.827 120.200 -0.537 0.000 2.345 880 E HA 0.541 4.890 4.350 -0.002 0.000 0.259 880 E C -1.391 175.009 176.600 -0.334 0.000 1.117 880 E CA -0.462 55.597 56.400 -0.568 0.000 0.913 880 E CB 1.556 30.744 29.700 -0.855 0.000 1.057 880 E HN 0.423 nan 8.360 nan 0.000 0.432 881 I N 2.630 123.058 120.570 -0.236 0.000 2.433 881 I HA 0.187 4.356 4.170 -0.002 0.000 0.292 881 I C -0.665 175.390 176.117 -0.103 0.000 1.001 881 I CA -0.994 60.159 61.300 -0.245 0.000 1.119 881 I CB 2.023 39.758 38.000 -0.441 0.000 1.289 881 I HN 0.297 nan 8.210 nan 0.000 0.438 882 V N 6.716 126.609 119.914 -0.036 0.000 2.461 882 V HA 0.221 4.340 4.120 -0.002 0.000 0.275 882 V C 0.320 176.504 176.094 0.149 0.000 1.047 882 V CA -0.792 61.536 62.300 0.048 0.000 0.955 882 V CB 1.017 32.868 31.823 0.047 0.000 0.988 882 V HN 0.523 nan 8.190 nan 0.000 0.471 883 K N 3.287 123.776 120.400 0.147 0.000 2.350 883 K HA 0.152 4.471 4.320 -0.002 0.000 0.279 883 K C 0.219 176.950 176.600 0.219 0.000 1.027 883 K CA -0.004 56.394 56.287 0.185 0.000 0.969 883 K CB 0.195 32.787 32.500 0.154 0.000 0.954 883 K HN 0.787 nan 8.250 nan 0.000 0.474 884 D N -0.526 120.018 120.400 0.240 0.000 2.723 884 D HA -0.198 4.441 4.640 -0.002 0.000 0.236 884 D C -0.644 175.852 176.300 0.326 0.000 1.138 884 D CA 1.070 55.222 54.000 0.253 0.000 0.676 884 D CB -1.222 39.700 40.800 0.202 0.000 1.069 884 D HN 0.591 nan 8.370 nan 0.000 0.430 885 A N 0.007 123.021 122.820 0.323 0.000 2.343 885 A HA 0.737 5.056 4.320 -0.002 0.000 0.316 885 A C 0.375 178.080 177.584 0.201 0.000 1.104 885 A CA -0.299 51.926 52.037 0.313 0.000 0.768 885 A CB 1.671 20.918 19.000 0.412 0.000 1.213 885 A HN 0.012 nan 8.150 nan 0.000 0.456 886 T N 0.819 115.400 114.554 0.045 0.000 2.930 886 T HA 0.588 4.937 4.350 -0.002 0.000 0.290 886 T C 0.150 174.710 174.700 -0.235 0.000 1.052 886 T CA -0.457 61.596 62.100 -0.079 0.000 1.017 886 T CB 1.448 70.239 68.868 -0.128 0.000 1.137 886 T HN 0.591 nan 8.240 nan 0.000 0.511 887 T N 2.084 116.513 114.554 -0.209 0.000 2.913 887 T HA 0.187 4.536 4.350 -0.002 0.000 0.297 887 T C 1.460 175.984 174.700 -0.292 0.000 1.029 887 T CA -0.644 61.309 62.100 -0.244 0.000 1.104 887 T CB 0.350 69.107 68.868 -0.185 0.000 0.964 887 T HN 0.333 nan 8.240 nan 0.000 0.532 888 I N 1.778 122.186 120.570 -0.270 0.000 2.252 888 I HA -0.107 4.062 4.170 -0.002 0.000 0.245 888 I C 2.646 178.640 176.117 -0.205 0.000 1.102 888 I CA 1.147 62.325 61.300 -0.203 0.000 1.385 888 I CB -1.678 36.289 38.000 -0.055 0.000 1.064 888 I HN 0.787 nan 8.210 nan 0.000 0.414 889 A N 0.753 123.434 122.820 -0.233 0.000 1.877 889 A HA -0.224 4.095 4.320 -0.002 0.000 0.216 889 A C 2.356 179.846 177.584 -0.156 0.000 1.186 889 A CA 1.554 53.454 52.037 -0.229 0.000 0.620 889 A CB -0.523 18.329 19.000 -0.246 0.000 0.822 889 A HN 0.328 nan 8.150 nan 0.000 0.443 890 K N -0.514 119.797 120.400 -0.148 0.000 2.147 890 K HA -0.038 4.281 4.320 -0.002 0.000 0.205 890 K C 1.683 178.217 176.600 -0.109 0.000 1.049 890 K CA 1.366 57.591 56.287 -0.103 0.000 0.936 890 K CB -0.331 32.110 32.500 -0.098 0.000 0.722 890 K HN 0.555 nan 8.250 nan 0.000 0.446 891 I N 0.972 121.426 120.570 -0.193 0.000 2.614 891 I HA -0.244 3.925 4.170 -0.002 0.000 0.258 891 I C 2.353 178.412 176.117 -0.096 0.000 1.189 891 I CA 0.965 62.139 61.300 -0.210 0.000 1.462 891 I CB -0.095 37.641 38.000 -0.440 0.000 1.092 891 I HN 0.242 nan 8.210 nan 0.000 0.442 892 Q N 0.303 120.039 119.800 -0.107 0.000 2.165 892 Q HA -0.094 4.245 4.340 -0.002 0.000 0.197 892 Q C 2.082 178.069 176.000 -0.020 0.000 0.952 892 Q CA 0.911 56.663 55.803 -0.085 0.000 0.848 892 Q CB -0.096 28.521 28.738 -0.201 0.000 0.931 892 Q HN 0.569 nan 8.270 nan 0.000 0.470 893 Q N 0.149 119.945 119.800 -0.006 0.000 2.368 893 Q HA -0.122 4.217 4.340 -0.002 0.000 0.210 893 Q C 1.981 177.999 176.000 0.030 0.000 0.982 893 Q CA 1.174 57.003 55.803 0.044 0.000 0.884 893 Q CB -0.037 28.727 28.738 0.044 0.000 0.933 893 Q HN 0.133 nan 8.270 nan 0.000 0.460 894 S N -0.192 115.517 115.700 0.015 0.000 2.311 894 S HA -0.119 4.350 4.470 -0.002 0.000 0.209 894 S C 1.955 176.562 174.600 0.012 0.000 1.029 894 S CA 1.451 59.665 58.200 0.023 0.000 0.968 894 S CB -0.371 62.856 63.200 0.045 0.000 0.946 894 S HN 0.330 nan 8.310 nan 0.000 0.450 895 T N 1.851 116.409 114.554 0.006 0.000 2.699 895 T HA -0.074 4.275 4.350 -0.002 0.000 0.268 895 T C 1.664 176.350 174.700 -0.024 0.000 1.036 895 T CA 1.693 63.783 62.100 -0.017 0.000 1.147 895 T CB -0.389 68.463 68.868 -0.027 0.000 0.862 895 T HN 0.257 nan 8.240 nan 0.000 0.446 896 V N -0.404 119.502 119.914 -0.014 0.000 2.790 896 V HA 0.604 4.723 4.120 -0.002 0.000 0.204 896 V C 1.625 177.723 176.094 0.007 0.000 1.189 896 V CA 1.118 63.408 62.300 -0.016 0.000 1.268 896 V CB -0.576 31.244 31.823 -0.004 0.000 0.913 896 V HN 0.686 nan 8.190 nan 0.000 0.502 897 G N -0.459 108.367 108.800 0.043 0.000 2.470 897 G HA2 -0.037 3.922 3.960 -0.002 0.000 0.145 897 G HA3 -0.037 3.922 3.960 -0.002 0.000 0.145 897 G C -1.110 173.869 174.900 0.132 0.000 1.223 897 G CA -0.075 45.063 45.100 0.065 0.000 1.058 897 G HN 0.265 nan 8.290 nan 0.000 0.469 898 N N 2.197 120.981 118.700 0.140 0.000 2.597 898 N HA 0.275 5.014 4.740 -0.002 0.000 0.269 898 N C 0.419 176.123 175.510 0.323 0.000 1.204 898 N CA 0.924 54.118 53.050 0.240 0.000 0.947 898 N CB 0.479 39.065 38.487 0.165 0.000 1.258 898 N HN 0.905 nan 8.380 nan 0.000 0.508 899 T N -5.174 109.486 114.554 0.177 0.000 2.669 899 T HA 0.597 4.946 4.350 -0.002 0.000 0.283 899 T C 0.812 175.051 174.700 -0.769 0.000 1.019 899 T CA -0.699 61.313 62.100 -0.146 0.000 1.039 899 T CB 1.561 70.344 68.868 -0.142 0.000 1.374 899 T HN -0.061 nan 8.240 nan 0.000 0.523 900 G N -0.622 107.602 108.800 -0.960 0.000 3.575 900 G HA2 0.489 4.448 3.960 -0.002 0.000 0.273 900 G HA3 0.489 4.448 3.960 -0.002 0.000 0.273 900 G C 0.788 174.839 174.900 -1.415 0.000 1.053 900 G CA 0.106 44.307 45.100 -1.499 0.000 0.803 900 G HN 1.113 nan 8.290 nan 0.000 0.528 901 A N 0.991 123.356 122.820 -0.758 0.000 2.478 901 A HA 0.461 4.780 4.320 -0.002 0.000 0.239 901 A C 0.328 177.618 177.584 -0.488 0.000 1.480 901 A CA -0.642 51.060 52.037 -0.558 0.000 1.308 901 A CB -1.294 17.514 19.000 -0.321 0.000 0.899 901 A HN 0.370 nan 8.150 nan 0.000 0.600 902 F N 1.044 120.610 119.950 -0.639 0.000 2.580 902 F HA -0.031 4.495 4.527 -0.002 0.000 0.398 902 F C 0.925 176.223 175.800 -0.837 0.000 1.023 902 F CA 0.207 57.660 58.000 -0.911 0.000 1.188 902 F CB 0.542 38.529 39.000 -1.688 0.000 1.005 902 F HN 0.145 nan 8.300 nan 0.000 0.546 903 K N 3.524 123.740 120.400 -0.306 0.000 2.182 903 K HA 0.149 4.468 4.320 -0.002 0.000 0.262 903 K C 0.193 176.742 176.600 -0.085 0.000 0.957 903 K CA -0.574 55.604 56.287 -0.183 0.000 0.842 903 K CB 1.462 33.881 32.500 -0.135 0.000 1.099 903 K HN 0.453 nan 8.250 nan 0.000 0.438 904 D N 1.945 122.343 120.400 -0.004 0.000 2.117 904 D HA -0.175 4.464 4.640 -0.002 0.000 0.197 904 D C 1.028 176.956 176.300 -0.620 0.000 0.987 904 D CA 1.541 55.525 54.000 -0.026 0.000 0.829 904 D CB 0.217 41.062 40.800 0.074 0.000 0.961 904 D HN 0.548 nan 8.370 nan 0.000 0.460 905 E N 0.700 120.358 120.200 -0.903 0.000 2.338 905 E HA -0.054 4.295 4.350 -0.002 0.000 0.197 905 E C 2.103 178.551 176.600 -0.254 0.000 1.007 905 E CA 0.065 55.844 56.400 -1.035 0.000 0.849 905 E CB -0.461 28.944 29.700 -0.493 0.000 0.774 905 E HN 0.093 nan 8.360 nan 0.000 0.506 906 V N 1.459 121.305 119.914 -0.113 0.000 2.218 906 V HA -0.357 3.762 4.120 -0.002 0.000 0.251 906 V C 2.255 178.420 176.094 0.117 0.000 1.057 906 V CA 2.225 64.546 62.300 0.036 0.000 1.022 906 V CB -0.718 31.105 31.823 0.000 0.000 0.645 906 V HN 0.319 nan 8.190 nan 0.000 0.451 907 L N 0.205 121.481 121.223 0.087 0.000 1.990 907 L HA -0.274 4.065 4.340 -0.002 0.000 0.213 907 L C 2.623 179.586 176.870 0.156 0.000 1.072 907 L CA 2.341 57.248 54.840 0.112 0.000 0.755 907 L CB -0.619 41.477 42.059 0.061 0.000 0.889 907 L HN 0.510 nan 8.230 nan 0.000 0.432 908 N N -0.782 117.984 118.700 0.111 0.000 2.192 908 N HA -0.273 4.466 4.740 -0.002 0.000 0.188 908 N C 1.811 177.407 175.510 0.144 0.000 1.013 908 N CA 1.487 54.633 53.050 0.160 0.000 0.863 908 N CB -0.213 38.467 38.487 0.321 0.000 0.990 908 N HN 0.479 nan 8.380 nan 0.000 0.430 909 H N -1.541 117.609 119.070 0.133 0.000 2.357 909 H HA -0.127 4.428 4.556 -0.002 0.000 0.301 909 H C 1.654 177.051 175.328 0.115 0.000 1.082 909 H CA 1.281 57.379 56.048 0.084 0.000 1.342 909 H CB -0.585 29.205 29.762 0.048 0.000 1.389 909 H HN 0.383 nan 8.280 nan 0.000 0.511 910 W N 1.689 123.071 121.300 0.137 0.000 2.318 910 W HA -0.228 4.431 4.660 -0.002 0.000 0.313 910 W C 2.287 178.861 176.519 0.092 0.000 1.221 910 W CA 1.536 58.933 57.345 0.088 0.000 1.266 910 W CB -0.651 28.847 29.460 0.063 0.000 1.150 910 W HN 0.058 nan 8.180 nan 0.000 0.496 911 L N 0.266 121.644 121.223 0.259 0.000 1.961 911 L HA -0.258 4.081 4.340 -0.002 0.000 0.210 911 L C 2.643 179.568 176.870 0.092 0.000 1.072 911 L CA 2.057 56.990 54.840 0.155 0.000 0.749 911 L CB -1.188 41.045 42.059 0.290 0.000 0.889 911 L HN -0.113 nan 8.230 nan 0.000 0.432 912 K N 0.273 120.767 120.400 0.157 0.000 2.113 912 K HA -0.264 4.055 4.320 -0.002 0.000 0.208 912 K C 1.965 178.511 176.600 -0.091 0.000 1.047 912 K CA 2.100 58.345 56.287 -0.069 0.000 0.928 912 K CB 0.041 32.226 32.500 -0.524 0.000 0.716 912 K HN 0.482 nan 8.250 nan 0.000 0.446 913 E N 0.066 120.217 120.200 -0.082 0.000 2.107 913 E HA -0.144 4.205 4.350 -0.002 0.000 0.191 913 E C 1.669 178.162 176.600 -0.179 0.000 0.982 913 E CA 0.944 57.280 56.400 -0.107 0.000 0.809 913 E CB 0.055 29.707 29.700 -0.080 0.000 0.756 913 E HN 0.014 nan 8.360 nan 0.000 0.459 914 K N 0.539 120.752 120.400 -0.311 0.000 2.167 914 K HA 0.141 4.460 4.320 -0.002 0.000 0.203 914 K C 0.364 176.845 176.600 -0.197 0.000 1.052 914 K CA 0.495 56.554 56.287 -0.379 0.000 0.956 914 K CB 0.084 32.109 32.500 -0.792 0.000 0.735 914 K HN 0.016 nan 8.250 nan 0.000 0.451 915 S N 2.489 118.120 115.700 -0.115 0.000 2.464 915 S HA 0.209 4.678 4.470 -0.002 0.000 0.313 915 S C -1.946 172.654 174.600 0.001 0.000 1.078 915 S CA -1.276 56.911 58.200 -0.023 0.000 1.096 915 S CB 1.564 64.794 63.200 0.051 0.000 1.032 915 S HN -0.033 nan 8.310 nan 0.000 0.498 916 P HA -0.135 nan 4.420 nan 0.000 0.201 916 P C 0.800 178.108 177.300 0.014 0.000 1.046 916 P CA 0.917 64.012 63.100 -0.009 0.000 0.942 916 P CB -0.387 31.308 31.700 -0.008 0.000 0.733 917 T N 1.027 115.595 114.554 0.024 0.000 2.777 917 T HA -0.132 4.217 4.350 -0.002 0.000 0.273 917 T C 1.319 176.061 174.700 0.071 0.000 1.016 917 T CA 0.218 62.340 62.100 0.038 0.000 1.156 917 T CB -0.236 68.654 68.868 0.036 0.000 1.019 917 T HN 0.091 nan 8.240 nan 0.000 0.503 918 E N 2.767 123.009 120.200 0.071 0.000 2.219 918 E HA -0.198 4.151 4.350 -0.002 0.000 0.198 918 E C 1.926 178.628 176.600 0.171 0.000 0.998 918 E CA 1.489 57.963 56.400 0.123 0.000 0.818 918 E CB -0.049 29.703 29.700 0.088 0.000 0.741 918 E HN 0.937 nan 8.360 nan 0.000 0.477 919 E N 1.696 121.957 120.200 0.103 0.000 2.031 919 E HA -0.235 4.114 4.350 -0.002 0.000 0.193 919 E C 2.016 178.659 176.600 0.072 0.000 0.994 919 E CA 1.331 57.778 56.400 0.077 0.000 0.800 919 E CB -0.155 29.573 29.700 0.048 0.000 0.752 919 E HN 0.110 nan 8.360 nan 0.000 0.447 920 K N -0.426 120.020 120.400 0.077 0.000 2.152 920 K HA -0.174 4.145 4.320 -0.002 0.000 0.206 920 K C 2.209 178.860 176.600 0.085 0.000 1.048 920 K CA 1.404 57.730 56.287 0.064 0.000 0.933 920 K CB -0.435 32.099 32.500 0.058 0.000 0.721 920 K HN 0.152 nan 8.250 nan 0.000 0.447 921 F N 2.002 121.953 119.950 0.002 0.000 2.134 921 F HA -0.217 4.309 4.527 -0.002 0.000 0.299 921 F C 2.082 177.889 175.800 0.012 0.000 1.097 921 F CA 1.450 59.451 58.000 0.001 0.000 1.264 921 F CB -0.224 38.774 39.000 -0.003 0.000 1.001 921 F HN 0.079 nan 8.300 nan 0.000 0.479 922 Q N 0.798 120.454 119.800 -0.239 0.000 2.050 922 Q HA -0.156 4.183 4.340 -0.002 0.000 0.202 922 Q C 2.587 178.456 176.000 -0.219 0.000 0.980 922 Q CA 1.687 57.312 55.803 -0.298 0.000 0.840 922 Q CB -1.225 27.482 28.738 -0.052 0.000 0.898 922 Q HN 0.550 nan 8.270 nan 0.000 0.424 923 A N 1.351 124.107 122.820 -0.106 0.000 1.902 923 A HA -0.050 4.269 4.320 -0.002 0.000 0.217 923 A C 2.367 179.912 177.584 -0.067 0.000 1.181 923 A CA 1.847 53.844 52.037 -0.067 0.000 0.623 923 A CB -0.696 18.286 19.000 -0.030 0.000 0.818 923 A HN 0.375 nan 8.150 nan 0.000 0.443 924 A N -0.670 122.111 122.820 -0.065 0.000 2.019 924 A HA 0.040 4.359 4.320 -0.002 0.000 0.219 924 A C 2.132 179.692 177.584 -0.041 0.000 1.164 924 A CA 1.679 53.712 52.037 -0.006 0.000 0.644 924 A CB -0.677 18.348 19.000 0.041 0.000 0.805 924 A HN 0.375 nan 8.150 nan 0.000 0.449 925 V N -0.287 119.494 119.914 -0.221 0.000 2.548 925 V HA -0.205 3.914 4.120 -0.002 0.000 0.249 925 V C 2.433 178.446 176.094 -0.134 0.000 1.055 925 V CA 2.140 64.271 62.300 -0.282 0.000 1.065 925 V CB -0.471 31.009 31.823 -0.571 0.000 0.681 925 V HN 0.817 nan 8.190 nan 0.000 0.462 926 E N 0.141 120.299 120.200 -0.071 0.000 2.028 926 E HA -0.210 4.139 4.350 -0.002 0.000 0.190 926 E C 2.511 179.187 176.600 0.127 0.000 0.984 926 E CA 0.877 57.309 56.400 0.054 0.000 0.800 926 E CB -0.108 29.598 29.700 0.011 0.000 0.758 926 E HN 0.212 nan 8.360 nan 0.000 0.448 927 R N 0.052 120.586 120.500 0.058 0.000 2.112 927 R HA -0.209 4.130 4.340 -0.002 0.000 0.242 927 R C 2.280 178.698 176.300 0.197 0.000 1.137 927 R CA 1.757 57.910 56.100 0.088 0.000 0.944 927 R CB -1.182 29.169 30.300 0.086 0.000 0.857 927 R HN 0.336 nan 8.270 nan 0.000 0.435 928 F N 0.808 120.792 119.950 0.056 0.000 2.091 928 F HA -0.265 4.261 4.527 -0.002 0.000 0.299 928 F C 2.377 178.249 175.800 0.118 0.000 1.103 928 F CA 1.637 59.663 58.000 0.043 0.000 1.228 928 F CB -0.277 38.696 39.000 -0.045 0.000 0.984 928 F HN -0.211 nan 8.300 nan 0.000 0.477 929 V N -0.895 119.258 119.914 0.400 0.000 2.332 929 V HA -0.336 3.783 4.120 -0.002 0.000 0.248 929 V C 1.986 178.248 176.094 0.280 0.000 1.055 929 V CA 2.039 64.579 62.300 0.400 0.000 1.038 929 V CB -1.013 31.028 31.823 0.363 0.000 0.651 929 V HN 0.361 nan 8.190 nan 0.000 0.450 930 Y N 1.169 121.513 120.300 0.074 0.000 2.184 930 Y HA -0.186 4.363 4.550 -0.002 0.000 0.290 930 Y C 2.962 178.844 175.900 -0.030 0.000 1.129 930 Y CA 1.638 59.727 58.100 -0.019 0.000 1.144 930 Y CB -0.771 37.664 38.460 -0.041 0.000 0.995 930 Y HN 0.383 nan 8.280 nan 0.000 0.513 931 S N -1.348 114.454 115.700 0.171 0.000 2.368 931 S HA -0.266 4.203 4.470 -0.002 0.000 0.225 931 S C 2.223 176.903 174.600 0.132 0.000 1.030 931 S CA 1.210 59.504 58.200 0.157 0.000 0.999 931 S CB -1.407 61.872 63.200 0.131 0.000 0.844 931 S HN 0.597 nan 8.310 nan 0.000 0.459 932 C N 1.982 121.264 119.300 -0.030 0.000 2.440 932 C HA 0.246 4.705 4.460 -0.002 0.000 0.278 932 C C 3.082 178.211 174.990 0.232 0.000 1.295 932 C CA 0.795 59.847 59.018 0.058 0.000 1.738 932 C CB -1.782 25.951 27.740 -0.010 0.000 1.987 932 C HN 0.702 nan 8.230 nan 0.000 0.492 933 A N 0.716 123.597 122.820 0.101 0.000 1.855 933 A HA 0.130 4.449 4.320 -0.002 0.000 0.215 933 A C 2.514 179.992 177.584 -0.177 0.000 1.191 933 A CA 2.106 54.023 52.037 -0.200 0.000 0.613 933 A CB -1.651 17.073 19.000 -0.459 0.000 0.829 933 A HN 0.683 nan 8.150 nan 0.000 0.442 934 G N -1.415 107.283 108.800 -0.170 0.000 2.529 934 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.219 934 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.219 934 G C 1.487 176.359 174.900 -0.046 0.000 1.177 934 G CA 1.406 46.392 45.100 -0.189 0.000 0.773 934 G HN 0.560 nan 8.290 nan 0.000 0.573 935 Y N -0.219 120.090 120.300 0.014 0.000 2.373 935 Y HA -0.039 4.510 4.550 -0.002 0.000 0.293 935 Y C 3.087 178.952 175.900 -0.057 0.000 1.129 935 Y CA 0.493 58.568 58.100 -0.041 0.000 1.226 935 Y CB -0.250 38.120 38.460 -0.151 0.000 1.000 935 Y HN 0.240 nan 8.280 nan 0.000 0.549 936 C N -1.154 118.190 119.300 0.075 0.000 2.453 936 C HA -0.136 4.323 4.460 -0.002 0.000 0.277 936 C C 2.692 177.495 174.990 -0.312 0.000 1.262 936 C CA 1.001 59.886 59.018 -0.222 0.000 1.718 936 C CB -1.018 26.566 27.740 -0.261 0.000 2.031 936 C HN 0.343 nan 8.230 nan 0.000 0.480 937 V N 1.448 121.320 119.914 -0.071 0.000 2.229 937 V HA -0.186 3.933 4.120 -0.002 0.000 0.243 937 V C 2.736 178.920 176.094 0.149 0.000 1.042 937 V CA 2.292 64.611 62.300 0.031 0.000 1.000 937 V CB -1.552 30.229 31.823 -0.070 0.000 0.637 937 V HN 0.568 nan 8.190 nan 0.000 0.446 938 A N -0.539 122.370 122.820 0.148 0.000 1.892 938 A HA -0.331 3.988 4.320 -0.002 0.000 0.218 938 A C 2.465 180.131 177.584 0.137 0.000 1.188 938 A CA 2.958 55.060 52.037 0.108 0.000 0.631 938 A CB -1.211 17.804 19.000 0.025 0.000 0.822 938 A HN 0.494 nan 8.150 nan 0.000 0.447 939 T N -1.758 112.907 114.554 0.185 0.000 2.788 939 T HA -0.129 4.220 4.350 -0.002 0.000 0.268 939 T C 1.562 176.473 174.700 0.351 0.000 1.044 939 T CA 1.671 63.943 62.100 0.287 0.000 1.139 939 T CB -0.433 68.642 68.868 0.344 0.000 0.867 939 T HN 0.475 nan 8.240 nan 0.000 0.454 940 F N 1.882 121.973 119.950 0.235 0.000 2.051 940 F HA -0.053 4.473 4.527 -0.002 0.000 0.296 940 F C 2.187 178.196 175.800 0.349 0.000 1.122 940 F CA 1.173 59.375 58.000 0.336 0.000 1.201 940 F CB -1.040 38.161 39.000 0.336 0.000 0.978 940 F HN -0.003 nan 8.300 nan 0.000 0.472 941 V N 1.224 121.013 119.914 -0.208 0.000 2.380 941 V HA -0.317 3.802 4.120 -0.002 0.000 0.251 941 V C 2.567 178.645 176.094 -0.027 0.000 1.063 941 V CA 2.065 64.200 62.300 -0.276 0.000 1.055 941 V CB -0.841 30.951 31.823 -0.053 0.000 0.657 941 V HN 0.440 nan 8.190 nan 0.000 0.455 942 L N 0.011 121.303 121.223 0.115 0.000 2.478 942 L HA 0.208 4.547 4.340 -0.002 0.000 0.223 942 L C 1.612 178.625 176.870 0.238 0.000 1.140 942 L CA 0.857 55.840 54.840 0.239 0.000 0.842 942 L CB -0.574 41.603 42.059 0.197 0.000 0.953 942 L HN 0.595 nan 8.230 nan 0.000 0.452 943 G N 1.873 110.779 108.800 0.177 0.000 2.248 943 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.263 943 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.263 943 G C 0.399 175.324 174.900 0.042 0.000 1.082 943 G CA 0.412 45.448 45.100 -0.107 0.000 0.863 943 G HN 0.595 nan 8.290 nan 0.000 0.495 944 I N -4.336 116.364 120.570 0.216 0.000 3.064 944 I HA 0.537 4.706 4.170 -0.002 0.000 0.323 944 I C 1.096 177.432 176.117 0.365 0.000 1.501 944 I CA -0.002 61.456 61.300 0.263 0.000 0.890 944 I CB 0.183 38.361 38.000 0.297 0.000 1.602 944 I HN 0.062 nan 8.210 nan 0.000 0.586 945 G N 0.830 109.877 108.800 0.411 0.000 2.539 945 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.215 945 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.215 945 G C 0.381 175.538 174.900 0.429 0.000 1.141 945 G CA 0.413 45.822 45.100 0.515 0.000 0.806 945 G HN 0.480 nan 8.290 nan 0.000 0.533 946 D N 1.057 121.674 120.400 0.363 0.000 2.558 946 D HA 0.203 4.842 4.640 -0.002 0.000 0.221 946 D C 0.748 177.279 176.300 0.386 0.000 1.143 946 D CA -0.455 53.757 54.000 0.353 0.000 1.010 946 D CB -0.295 40.698 40.800 0.322 0.000 1.068 946 D HN 0.416 nan 8.370 nan 0.000 0.511 947 R N 1.399 122.040 120.500 0.235 0.000 2.837 947 R HA 0.446 4.785 4.340 -0.002 0.000 0.271 947 R C -0.090 176.039 176.300 -0.285 0.000 0.993 947 R CA -1.068 54.997 56.100 -0.058 0.000 0.931 947 R CB 0.463 30.683 30.300 -0.133 0.000 1.206 947 R HN 0.160 nan 8.270 nan 0.000 0.474 948 H N 1.036 119.499 119.070 -1.011 0.000 3.044 948 H HA -0.108 4.447 4.556 -0.002 0.000 0.356 948 H C 0.712 175.826 175.328 -0.357 0.000 1.134 948 H CA 1.057 56.602 56.048 -0.837 0.000 1.387 948 H CB 0.668 29.933 29.762 -0.828 0.000 1.325 948 H HN 0.786 nan 8.280 nan 0.000 0.609 949 N N 1.262 119.498 118.700 -0.773 0.000 2.459 949 N HA -0.169 4.570 4.740 -0.002 0.000 0.181 949 N C 0.748 175.917 175.510 -0.569 0.000 1.046 949 N CA 0.796 53.502 53.050 -0.574 0.000 0.904 949 N CB 0.104 38.289 38.487 -0.503 0.000 0.964 949 N HN 0.655 nan 8.380 nan 0.000 0.444 950 D N 0.202 120.181 120.400 -0.701 0.000 2.234 950 D HA 0.013 4.652 4.640 -0.002 0.000 0.205 950 D C 0.747 176.864 176.300 -0.305 0.000 0.962 950 D CA 0.861 54.631 54.000 -0.383 0.000 0.855 950 D CB -0.059 40.619 40.800 -0.204 0.000 0.951 950 D HN 0.271 nan 8.370 nan 0.000 0.500 951 N N -0.600 117.896 118.700 -0.340 0.000 2.434 951 N HA 0.124 4.863 4.740 -0.002 0.000 0.196 951 N C -0.387 174.871 175.510 -0.419 0.000 1.183 951 N CA 0.040 52.884 53.050 -0.343 0.000 0.849 951 N CB 0.670 38.944 38.487 -0.354 0.000 0.992 951 N HN 0.235 nan 8.380 nan 0.000 0.460 952 I N 0.815 121.138 120.570 -0.411 0.000 2.545 952 I HA 0.362 4.531 4.170 -0.002 0.000 0.292 952 I C -0.339 175.532 176.117 -0.410 0.000 1.040 952 I CA -0.580 60.466 61.300 -0.424 0.000 1.068 952 I CB 1.904 39.688 38.000 -0.360 0.000 1.251 952 I HN -0.134 nan 8.210 nan 0.000 0.424 953 M N 5.588 124.809 119.600 -0.631 0.000 2.821 953 M HA 0.670 5.149 4.480 -0.002 0.000 0.294 953 M C -0.933 174.936 176.300 -0.718 0.000 1.195 953 M CA -0.930 53.899 55.300 -0.785 0.000 0.784 953 M CB 3.267 35.147 32.600 -1.199 0.000 1.755 953 M HN 0.502 nan 8.290 nan 0.000 0.477 954 I N 0.145 120.412 120.570 -0.505 0.000 2.882 954 I HA 0.392 4.561 4.170 -0.002 0.000 0.298 954 I C -1.162 175.003 176.117 0.081 0.000 1.462 954 I CA -0.238 60.962 61.300 -0.168 0.000 1.000 954 I CB 2.599 40.515 38.000 -0.141 0.000 1.340 954 I HN 0.852 nan 8.210 nan 0.000 0.462 955 T N 0.787 115.532 114.554 0.319 0.000 2.925 955 T HA 0.423 4.772 4.350 -0.002 0.000 0.285 955 T C 0.475 175.522 174.700 0.578 0.000 1.021 955 T CA -0.597 61.765 62.100 0.437 0.000 1.042 955 T CB 1.690 70.776 68.868 0.362 0.000 1.037 955 T HN 0.694 nan 8.240 nan 0.000 0.481 956 E N 0.709 121.215 120.200 0.510 0.000 2.526 956 E HA -0.046 4.303 4.350 -0.002 0.000 0.205 956 E C 0.754 177.436 176.600 0.137 0.000 1.104 956 E CA 0.859 57.360 56.400 0.169 0.000 0.899 956 E CB -0.311 29.393 29.700 0.007 0.000 0.838 956 E HN 0.847 nan 8.360 nan 0.000 0.564 957 T N -4.391 110.297 114.554 0.224 0.000 3.145 957 T HA 0.390 4.739 4.350 -0.002 0.000 0.281 957 T C 1.279 176.090 174.700 0.185 0.000 1.003 957 T CA -0.029 62.166 62.100 0.157 0.000 0.901 957 T CB 1.078 70.021 68.868 0.125 0.000 1.112 957 T HN 0.186 nan 8.240 nan 0.000 0.535 958 G N 1.946 110.914 108.800 0.280 0.000 2.217 958 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.246 958 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.246 958 G C 0.087 175.169 174.900 0.302 0.000 0.990 958 G CA -0.176 45.109 45.100 0.309 0.000 0.627 958 G HN 0.632 nan 8.290 nan 0.000 0.522 959 N N 0.609 119.460 118.700 0.251 0.000 2.483 959 N HA 0.420 5.159 4.740 -0.002 0.000 0.264 959 N C -0.077 175.577 175.510 0.240 0.000 1.197 959 N CA 0.255 53.444 53.050 0.231 0.000 0.927 959 N CB 0.948 39.580 38.487 0.242 0.000 1.065 959 N HN 0.611 nan 8.380 nan 0.000 0.461 960 L N 4.216 125.505 121.223 0.110 0.000 2.333 960 L HA 0.786 5.125 4.340 -0.002 0.000 0.269 960 L C -1.187 175.695 176.870 0.019 0.000 1.010 960 L CA -0.615 54.191 54.840 -0.057 0.000 0.818 960 L CB 1.141 42.946 42.059 -0.424 0.000 1.306 960 L HN 0.536 nan 8.230 nan 0.000 0.430 961 F N -0.394 119.356 119.950 -0.333 0.000 2.741 961 F HA 0.525 5.051 4.527 -0.001 0.000 0.311 961 F C -1.103 174.487 175.800 -0.349 0.000 1.149 961 F CA -0.977 56.514 58.000 -0.849 0.000 0.930 961 F CB 0.823 39.637 39.000 -0.309 0.000 1.312 961 F HN 0.572 nan 8.300 nan 0.000 0.450 962 H N 0.601 119.443 119.070 -0.379 0.000 2.523 962 H HA 0.862 5.417 4.556 -0.002 0.000 0.345 962 H C -0.708 174.636 175.328 0.026 0.000 1.261 962 H CA -0.535 55.414 56.048 -0.167 0.000 1.343 962 H CB 2.255 31.951 29.762 -0.110 0.000 1.650 962 H HN 0.670 nan 8.280 nan 0.000 0.591 963 I N -3.113 117.334 120.570 -0.204 0.000 3.434 963 I HA 0.233 4.402 4.170 -0.002 0.000 0.317 963 I C -0.807 175.070 176.117 -0.400 0.000 1.230 963 I CA -1.109 60.124 61.300 -0.112 0.000 0.918 963 I CB 0.758 38.770 38.000 0.020 0.000 1.337 963 I HN 0.514 nan 8.210 nan 0.000 0.482 964 D N 0.773 121.125 120.400 -0.080 0.000 3.060 964 D HA -0.240 4.399 4.640 -0.002 0.000 0.209 964 D C -0.261 175.978 176.300 -0.102 0.000 1.232 964 D CA 0.892 54.867 54.000 -0.042 0.000 0.841 964 D CB -0.616 40.137 40.800 -0.077 0.000 0.863 964 D HN 0.541 nan 8.370 nan 0.000 0.389 965 F N -0.004 120.006 119.950 0.099 0.000 2.731 965 F HA 0.306 4.832 4.527 -0.002 0.000 0.304 965 F C 1.974 177.791 175.800 0.028 0.000 1.133 965 F CA 0.397 58.440 58.000 0.071 0.000 1.380 965 F CB 0.322 39.369 39.000 0.078 0.000 1.079 965 F HN 0.244 nan 8.300 nan 0.000 0.550 980 K N -0.666 119.709 120.400 -0.043 0.000 2.756 980 K HA 0.401 4.720 4.320 -0.002 0.000 0.286 980 K C -1.460 175.092 176.600 -0.079 0.000 1.029 980 K CA -0.805 55.436 56.287 -0.077 0.000 0.791 980 K CB 1.226 33.670 32.500 -0.092 0.000 1.481 980 K HN -0.335 nan 8.250 nan 0.000 0.360 981 E N 1.089 121.213 120.200 -0.125 0.000 2.191 981 E HA 0.464 4.813 4.350 -0.002 0.000 0.278 981 E C -0.810 175.716 176.600 -0.123 0.000 0.972 981 E CA -0.491 55.837 56.400 -0.120 0.000 0.804 981 E CB 1.813 31.426 29.700 -0.145 0.000 1.110 981 E HN 0.449 nan 8.360 nan 0.000 0.394 982 R N 0.181 120.645 120.500 -0.061 0.000 2.810 982 R HA 0.759 5.098 4.340 -0.002 0.000 0.266 982 R C -1.247 175.054 176.300 0.002 0.000 1.061 982 R CA -0.986 55.109 56.100 -0.007 0.000 0.943 982 R CB 2.017 32.343 30.300 0.043 0.000 1.237 982 R HN 0.276 nan 8.270 nan 0.000 0.459 983 V N 1.289 121.232 119.914 0.048 0.000 3.108 983 V HA 0.241 4.360 4.120 -0.002 0.000 0.287 983 V C -2.000 174.130 176.094 0.061 0.000 1.436 983 V CA -1.597 60.699 62.300 -0.008 0.000 1.001 983 V CB 2.517 34.308 31.823 -0.053 0.000 1.141 983 V HN 0.688 nan 8.190 nan 0.000 0.443 984 P HA -0.050 nan 4.420 nan 0.000 0.214 984 P C 0.367 177.933 177.300 0.443 0.000 1.163 984 P CA 1.943 65.151 63.100 0.180 0.000 0.883 984 P CB 0.078 31.660 31.700 -0.196 0.000 0.788 985 F N -3.480 116.560 119.950 0.151 0.000 3.750 985 F HA 0.622 5.148 4.527 -0.002 0.000 0.327 985 F C -1.177 174.703 175.800 0.133 0.000 1.225 985 F CA -1.319 56.808 58.000 0.212 0.000 0.928 985 F CB 0.303 39.464 39.000 0.268 0.000 1.670 985 F HN -0.461 nan 8.300 nan 0.000 0.521 986 V N 1.895 122.098 119.914 0.483 0.000 2.378 986 V HA 0.546 4.665 4.120 -0.002 0.000 0.288 986 V C -1.121 175.046 176.094 0.121 0.000 1.016 986 V CA -0.256 62.129 62.300 0.142 0.000 0.840 986 V CB 1.286 33.144 31.823 0.059 0.000 0.994 986 V HN 0.611 nan 8.190 nan 0.000 0.431 987 L N 6.008 127.142 121.223 -0.147 0.000 2.980 987 L HA 0.353 4.692 4.340 -0.002 0.000 0.314 987 L C 0.860 177.511 176.870 -0.365 0.000 1.303 987 L CA 0.068 54.838 54.840 -0.116 0.000 0.785 987 L CB 0.614 42.698 42.059 0.041 0.000 1.190 987 L HN 0.795 nan 8.230 nan 0.000 0.567 988 T N -1.890 112.264 114.554 -0.666 0.000 2.856 988 T HA 0.077 4.426 4.350 -0.002 0.000 0.329 988 T C -1.577 172.730 174.700 -0.655 0.000 1.094 988 T CA -0.579 61.000 62.100 -0.868 0.000 1.112 988 T CB 0.076 68.294 68.868 -1.084 0.000 1.009 988 T HN 0.157 nan 8.240 nan 0.000 0.550 989 P HA -0.146 nan 4.420 nan 0.000 0.218 989 P C 1.429 178.793 177.300 0.107 0.000 1.146 989 P CA 1.291 64.201 63.100 -0.317 0.000 0.813 989 P CB -0.039 31.496 31.700 -0.275 0.000 0.778 990 D N -1.635 118.912 120.400 0.245 0.000 2.183 990 D HA -0.151 4.488 4.640 -0.002 0.000 0.203 990 D C 1.661 178.205 176.300 0.407 0.000 0.969 990 D CA 0.993 55.240 54.000 0.413 0.000 0.842 990 D CB -0.991 40.144 40.800 0.558 0.000 0.957 990 D HN 0.103 nan 8.370 nan 0.000 0.484 991 F N 1.261 121.259 119.950 0.080 0.000 2.074 991 F HA 0.114 4.640 4.527 -0.002 0.000 0.293 991 F C 2.563 178.388 175.800 0.040 0.000 1.116 991 F CA 0.333 58.416 58.000 0.138 0.000 1.212 991 F CB -1.022 38.127 39.000 0.249 0.000 0.998 991 F HN -0.114 nan 8.300 nan 0.000 0.471 992 L N -1.396 119.930 121.223 0.172 0.000 2.261 992 L HA -0.255 4.084 4.340 -0.002 0.000 0.216 992 L C 2.348 179.216 176.870 -0.003 0.000 1.114 992 L CA 0.928 55.743 54.840 -0.041 0.000 0.777 992 L CB -0.742 41.190 42.059 -0.212 0.000 0.910 992 L HN 0.065 nan 8.230 nan 0.000 0.440 993 F N -0.104 119.826 119.950 -0.033 0.000 2.186 993 F HA -0.165 4.361 4.527 -0.002 0.000 0.299 993 F C 2.111 177.883 175.800 -0.047 0.000 1.090 993 F CA 1.260 59.247 58.000 -0.022 0.000 1.307 993 F CB 0.053 39.071 39.000 0.031 0.000 1.019 993 F HN -0.220 nan 8.300 nan 0.000 0.489 994 V N 0.113 120.067 119.914 0.066 0.000 3.217 994 V HA -0.235 3.884 4.120 -0.002 0.000 0.264 994 V C 1.967 177.984 176.094 -0.129 0.000 1.135 994 V CA 1.453 63.696 62.300 -0.096 0.000 1.142 994 V CB -0.659 30.926 31.823 -0.396 0.000 0.754 994 V HN 0.381 nan 8.190 nan 0.000 0.484 995 M N -0.058 119.509 119.600 -0.055 0.000 2.476 995 M HA 0.301 4.780 4.480 -0.002 0.000 0.262 995 M C 1.380 177.729 176.300 0.082 0.000 1.111 995 M CA 1.123 56.452 55.300 0.048 0.000 1.127 995 M CB 0.458 33.122 32.600 0.107 0.000 1.376 995 M HN 0.487 nan 8.290 nan 0.000 0.465 996 G N 1.279 110.038 108.800 -0.068 0.000 2.427 996 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.193 996 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.193 996 G C -0.091 174.733 174.900 -0.126 0.000 1.086 996 G CA -0.115 44.925 45.100 -0.099 0.000 0.818 996 G HN 0.315 nan 8.290 nan 0.000 0.490 997 T N -0.023 114.408 114.554 -0.205 0.000 4.205 997 T HA 0.323 4.672 4.350 -0.002 0.000 0.219 997 T C 1.282 175.877 174.700 -0.176 0.000 0.975 997 T CA 0.595 62.567 62.100 -0.213 0.000 1.484 997 T CB 0.551 69.194 68.868 -0.375 0.000 0.805 997 T HN 0.599 nan 8.240 nan 0.000 0.616 998 S N 1.142 116.765 115.700 -0.129 0.000 2.372 998 S HA -0.104 4.365 4.470 -0.002 0.000 0.227 998 S C 1.896 176.510 174.600 0.023 0.000 1.044 998 S CA 2.336 60.566 58.200 0.050 0.000 1.050 998 S CB -0.297 62.985 63.200 0.136 0.000 0.901 998 S HN 0.780 nan 8.310 nan 0.000 0.447 999 G N 0.387 109.172 108.800 -0.024 0.000 2.832 999 G HA2 0.229 4.188 3.960 -0.002 0.000 0.187 999 G HA3 0.229 4.188 3.960 -0.002 0.000 0.187 999 G C 0.177 175.031 174.900 -0.077 0.000 1.817 999 G CA 0.120 45.203 45.100 -0.029 0.000 0.896 999 G HN 0.387 nan 8.290 nan 0.000 0.453 1000 K N 0.496 120.852 120.400 -0.074 0.000 2.860 1000 K HA 0.189 4.508 4.320 -0.002 0.000 0.204 1000 K C 0.380 176.942 176.600 -0.063 0.000 1.127 1000 K CA -0.097 56.138 56.287 -0.088 0.000 1.050 1000 K CB 1.073 33.539 32.500 -0.055 0.000 0.745 1000 K HN 0.663 nan 8.250 nan 0.000 0.459 1001 K N -0.583 119.776 120.400 -0.069 0.000 2.711 1001 K HA 0.447 4.766 4.320 -0.002 0.000 0.305 1001 K C 0.431 177.041 176.600 0.016 0.000 0.974 1001 K CA -0.481 55.794 56.287 -0.019 0.000 1.394 1001 K CB 0.097 32.586 32.500 -0.018 0.000 1.670 1001 K HN -0.145 nan 8.250 nan 0.000 0.748 1002 T N -1.563 113.030 114.554 0.065 0.000 2.647 1002 T HA 0.556 4.905 4.350 -0.002 0.000 0.295 1002 T C -1.793 172.989 174.700 0.137 0.000 1.126 1002 T CA -0.211 62.008 62.100 0.198 0.000 1.040 1002 T CB 1.302 70.298 68.868 0.215 0.000 1.472 1002 T HN 0.940 nan 8.240 nan 0.000 0.500 1003 S N -0.040 115.772 115.700 0.188 0.000 2.645 1003 S HA 0.432 4.901 4.470 -0.002 0.000 0.268 1003 S C -2.769 171.890 174.600 0.097 0.000 1.110 1003 S CA -0.794 57.475 58.200 0.115 0.000 0.823 1003 S CB 1.001 64.267 63.200 0.111 0.000 1.091 1003 S HN 0.568 nan 8.310 nan 0.000 0.466 1004 P HA 0.030 nan 4.420 nan 0.000 0.239 1004 P C 0.333 177.549 177.300 -0.140 0.000 1.184 1004 P CA 1.010 64.056 63.100 -0.090 0.000 0.760 1004 P CB -0.175 31.422 31.700 -0.171 0.000 0.884 1005 H N -2.412 116.726 119.070 0.114 0.000 2.501 1005 H HA 0.138 4.693 4.556 -0.002 0.000 0.281 1005 H C 1.474 176.944 175.328 0.237 0.000 0.988 1005 H CA 0.139 56.276 56.048 0.148 0.000 1.232 1005 H CB -0.620 29.216 29.762 0.123 0.000 1.455 1005 H HN 0.014 nan 8.280 nan 0.000 0.501 1006 F N 2.559 122.631 119.950 0.203 0.000 2.293 1006 F HA -0.098 4.428 4.527 -0.002 0.000 0.300 1006 F C 2.100 178.030 175.800 0.217 0.000 1.086 1006 F CA 1.322 59.424 58.000 0.171 0.000 1.375 1006 F CB -0.026 39.016 39.000 0.070 0.000 1.045 1006 F HN 0.056 nan 8.300 nan 0.000 0.516 1007 Q N -0.409 119.413 119.800 0.036 0.000 2.245 1007 Q HA -0.158 4.181 4.340 -0.002 0.000 0.201 1007 Q C 2.064 178.039 176.000 -0.041 0.000 0.955 1007 Q CA 1.145 56.893 55.803 -0.092 0.000 0.870 1007 Q CB -0.069 28.657 28.738 -0.020 0.000 0.945 1007 Q HN 0.233 nan 8.270 nan 0.000 0.461 1008 K N 0.843 121.276 120.400 0.055 0.000 2.025 1008 K HA -0.157 4.162 4.320 -0.002 0.000 0.207 1008 K C 1.577 178.184 176.600 0.012 0.000 1.049 1008 K CA 1.036 57.351 56.287 0.048 0.000 0.933 1008 K CB -0.380 32.211 32.500 0.151 0.000 0.714 1008 K HN 0.125 nan 8.250 nan 0.000 0.438 1009 F N 1.631 121.560 119.950 -0.036 0.000 2.026 1009 F HA -0.259 4.267 4.527 -0.002 0.000 0.296 1009 F C 2.070 177.801 175.800 -0.116 0.000 1.133 1009 F CA 2.037 60.013 58.000 -0.039 0.000 1.188 1009 F CB -0.506 38.564 39.000 0.117 0.000 0.968 1009 F HN 0.136 nan 8.300 nan 0.000 0.476 1010 Q N -0.332 119.419 119.800 -0.082 0.000 2.112 1010 Q HA -0.282 4.057 4.340 -0.002 0.000 0.206 1010 Q C 1.919 177.806 176.000 -0.190 0.000 0.987 1010 Q CA 2.029 57.715 55.803 -0.195 0.000 0.858 1010 Q CB -0.499 28.074 28.738 -0.274 0.000 0.905 1010 Q HN 0.566 nan 8.270 nan 0.000 0.420 1011 D N 0.415 120.715 120.400 -0.167 0.000 2.144 1011 D HA -0.131 4.508 4.640 -0.002 0.000 0.199 1011 D C 1.619 177.800 176.300 -0.199 0.000 0.984 1011 D CA 0.956 54.872 54.000 -0.140 0.000 0.834 1011 D CB -0.050 40.688 40.800 -0.104 0.000 0.955 1011 D HN 0.210 nan 8.370 nan 0.000 0.465 1012 I N -0.179 120.212 120.570 -0.297 0.000 2.315 1012 I HA -0.259 3.910 4.170 -0.002 0.000 0.248 1012 I C 2.360 178.223 176.117 -0.423 0.000 1.117 1012 I CA 0.270 61.324 61.300 -0.410 0.000 1.404 1012 I CB -0.206 37.440 38.000 -0.590 0.000 1.071 1012 I HN 0.244 nan 8.210 nan 0.000 0.419 1013 C N 0.316 119.364 119.300 -0.420 0.000 2.418 1013 C HA -0.169 4.290 4.460 -0.002 0.000 0.280 1013 C C 2.875 177.711 174.990 -0.256 0.000 1.223 1013 C CA 1.023 59.848 59.018 -0.322 0.000 1.736 1013 C CB -0.755 26.948 27.740 -0.063 0.000 2.056 1013 C HN 0.348 nan 8.230 nan 0.000 0.459 1014 V N 1.210 121.068 119.914 -0.093 0.000 2.332 1014 V HA -0.261 3.858 4.120 -0.002 0.000 0.248 1014 V C 2.404 178.443 176.094 -0.091 0.000 1.055 1014 V CA 2.221 64.507 62.300 -0.022 0.000 1.038 1014 V CB -0.834 31.018 31.823 0.048 0.000 0.651 1014 V HN 0.589 nan 8.190 nan 0.000 0.450 1015 K N 0.115 120.432 120.400 -0.138 0.000 2.360 1015 K HA -0.123 4.196 4.320 -0.002 0.000 0.201 1015 K C 1.922 178.421 176.600 -0.168 0.000 1.046 1015 K CA 1.321 57.527 56.287 -0.136 0.000 0.945 1015 K CB -0.104 32.306 32.500 -0.150 0.000 0.750 1015 K HN 0.504 nan 8.250 nan 0.000 0.464 1016 A N -0.227 122.441 122.820 -0.253 0.000 1.942 1016 A HA -0.042 4.277 4.320 -0.002 0.000 0.209 1016 A C 1.804 179.478 177.584 0.150 0.000 1.214 1016 A CA 0.096 51.964 52.037 -0.283 0.000 0.686 1016 A CB -0.587 17.956 19.000 -0.761 0.000 0.871 1016 A HN 0.412 nan 8.150 nan 0.000 0.460 1017 Y N 1.379 121.537 120.300 -0.237 0.000 2.114 1017 Y HA -0.152 4.397 4.550 -0.002 0.000 0.284 1017 Y C 1.870 177.678 175.900 -0.154 0.000 1.143 1017 Y CA 1.707 59.645 58.100 -0.269 0.000 1.135 1017 Y CB -0.681 37.417 38.460 -0.605 0.000 0.980 1017 Y HN 0.203 nan 8.280 nan 0.000 0.499 1018 L N -0.228 120.822 121.223 -0.289 0.000 2.187 1018 L HA -0.207 4.132 4.340 -0.002 0.000 0.213 1018 L C 2.702 179.209 176.870 -0.604 0.000 1.100 1018 L CA 1.029 55.578 54.840 -0.486 0.000 0.765 1018 L CB -1.002 40.855 42.059 -0.337 0.000 0.904 1018 L HN 0.301 nan 8.230 nan 0.000 0.437 1019 A N 0.342 123.027 122.820 -0.225 0.000 1.898 1019 A HA -0.112 4.207 4.320 -0.002 0.000 0.216 1019 A C 2.239 179.870 177.584 0.078 0.000 1.181 1019 A CA 1.199 53.235 52.037 -0.002 0.000 0.620 1019 A CB -0.546 18.697 19.000 0.405 0.000 0.819 1019 A HN 0.353 nan 8.150 nan 0.000 0.442 1020 L N -1.032 120.244 121.223 0.088 0.000 2.141 1020 L HA -0.134 4.205 4.340 -0.002 0.000 0.209 1020 L C 2.730 179.595 176.870 -0.008 0.000 1.094 1020 L CA 1.049 55.916 54.840 0.046 0.000 0.763 1020 L CB -0.508 41.576 42.059 0.041 0.000 0.908 1020 L HN 0.371 nan 8.230 nan 0.000 0.437 1021 R N -0.748 119.643 120.500 -0.181 0.000 2.148 1021 R HA -0.134 4.205 4.340 -0.002 0.000 0.227 1021 R C 2.002 178.232 176.300 -0.116 0.000 1.103 1021 R CA 1.000 56.968 56.100 -0.221 0.000 0.983 1021 R CB -0.453 29.594 30.300 -0.422 0.000 0.874 1021 R HN 0.533 nan 8.270 nan 0.000 0.451 1022 H N -0.872 118.115 119.070 -0.138 0.000 2.456 1022 H HA -0.055 4.500 4.556 -0.002 0.000 0.296 1022 H C 0.701 175.789 175.328 -0.400 0.000 1.079 1022 H CA 0.590 56.476 56.048 -0.269 0.000 1.322 1022 H CB 0.195 29.763 29.762 -0.323 0.000 1.388 1022 H HN 0.287 nan 8.280 nan 0.000 0.538 1023 H N -0.543 118.557 119.070 0.050 0.000 2.472 1023 H HA 0.115 4.670 4.556 -0.002 0.000 0.287 1023 H C 1.161 176.477 175.328 -0.020 0.000 1.112 1023 H CA -0.038 56.012 56.048 0.004 0.000 1.021 1023 H CB 0.552 30.304 29.762 -0.017 0.000 1.635 1023 H HN 0.257 nan 8.280 nan 0.000 0.559 1024 T N 1.423 115.998 114.554 0.035 0.000 2.624 1024 T HA -0.214 4.135 4.350 -0.002 0.000 0.268 1024 T C 1.773 176.482 174.700 0.015 0.000 1.041 1024 T CA 2.108 64.207 62.100 -0.000 0.000 1.159 1024 T CB 0.052 68.899 68.868 -0.036 0.000 0.863 1024 T HN 0.528 nan 8.240 nan 0.000 0.434 1025 N N 1.095 119.809 118.700 0.023 0.000 2.069 1025 N HA -0.018 4.721 4.740 -0.002 0.000 0.191 1025 N C 1.799 177.337 175.510 0.046 0.000 1.031 1025 N CA 0.696 53.766 53.050 0.033 0.000 0.852 1025 N CB -0.578 37.930 38.487 0.035 0.000 1.018 1025 N HN 0.202 nan 8.380 nan 0.000 0.423 1026 L N 0.264 121.522 121.223 0.059 0.000 1.971 1026 L HA -0.182 4.157 4.340 -0.002 0.000 0.215 1026 L C 1.638 178.540 176.870 0.055 0.000 1.072 1026 L CA 1.665 56.535 54.840 0.051 0.000 0.758 1026 L CB -0.453 41.644 42.059 0.063 0.000 0.889 1026 L HN 0.173 nan 8.230 nan 0.000 0.433 1027 L N 0.040 121.294 121.223 0.052 0.000 2.079 1027 L HA -0.247 4.092 4.340 -0.002 0.000 0.210 1027 L C 2.507 179.427 176.870 0.084 0.000 1.081 1027 L CA 1.679 56.550 54.840 0.050 0.000 0.752 1027 L CB -0.911 41.156 42.059 0.014 0.000 0.896 1027 L HN 0.264 nan 8.230 nan 0.000 0.433 1028 I N -1.320 119.282 120.570 0.053 0.000 2.142 1028 I HA -0.313 3.856 4.170 -0.002 0.000 0.240 1028 I C 2.373 178.569 176.117 0.132 0.000 1.078 1028 I CA 0.950 62.290 61.300 0.067 0.000 1.343 1028 I CB -0.228 37.788 38.000 0.025 0.000 1.046 1028 I HN 0.163 nan 8.210 nan 0.000 0.405 1029 I N 0.797 121.424 120.570 0.095 0.000 2.142 1029 I HA -0.282 3.887 4.170 -0.002 0.000 0.240 1029 I C 2.612 178.792 176.117 0.105 0.000 1.078 1029 I CA 1.767 63.120 61.300 0.090 0.000 1.343 1029 I CB -0.926 37.112 38.000 0.064 0.000 1.046 1029 I HN 0.242 nan 8.210 nan 0.000 0.405 1030 L N -0.287 120.998 121.223 0.105 0.000 1.971 1030 L HA -0.294 4.045 4.340 -0.002 0.000 0.215 1030 L C 2.690 179.626 176.870 0.109 0.000 1.072 1030 L CA 1.735 56.633 54.840 0.097 0.000 0.758 1030 L CB -0.955 41.157 42.059 0.089 0.000 0.889 1030 L HN 0.133 nan 8.230 nan 0.000 0.433 1031 F N 0.325 120.279 119.950 0.008 0.000 2.120 1031 F HA -0.319 4.207 4.527 -0.002 0.000 0.300 1031 F C 2.879 178.690 175.800 0.018 0.000 1.095 1031 F CA 1.921 59.926 58.000 0.009 0.000 1.249 1031 F CB -0.217 38.794 39.000 0.019 0.000 0.995 1031 F HN 0.009 nan 8.300 nan 0.000 0.480 1032 S N 0.105 115.959 115.700 0.256 0.000 2.368 1032 S HA -0.219 4.250 4.470 -0.002 0.000 0.225 1032 S C 2.082 176.702 174.600 0.034 0.000 1.030 1032 S CA 1.614 59.903 58.200 0.147 0.000 0.999 1032 S CB -0.297 62.991 63.200 0.146 0.000 0.844 1032 S HN 0.515 nan 8.310 nan 0.000 0.459 1033 M N 0.566 120.203 119.600 0.061 0.000 2.132 1033 M HA -0.061 4.418 4.480 -0.002 0.000 0.263 1033 M C 2.384 178.705 176.300 0.036 0.000 1.065 1033 M CA 1.756 57.131 55.300 0.124 0.000 1.122 1033 M CB -0.397 32.303 32.600 0.166 0.000 1.365 1033 M HN 0.499 nan 8.290 nan 0.000 0.411 1034 M N 0.606 120.168 119.600 -0.064 0.000 2.106 1034 M HA -0.264 4.215 4.480 -0.002 0.000 0.259 1034 M C 1.844 178.031 176.300 -0.189 0.000 1.068 1034 M CA 1.800 57.012 55.300 -0.148 0.000 1.100 1034 M CB -0.184 32.289 32.600 -0.211 0.000 1.351 1034 M HN 0.268 nan 8.290 nan 0.000 0.404 1035 L N 0.382 121.448 121.223 -0.262 0.000 1.994 1035 L HA -0.198 4.141 4.340 -0.002 0.000 0.208 1035 L C 2.665 179.470 176.870 -0.109 0.000 1.071 1035 L CA 1.886 56.584 54.840 -0.238 0.000 0.745 1035 L CB -0.730 41.154 42.059 -0.291 0.000 0.892 1035 L HN 0.574 nan 8.230 nan 0.000 0.431 1036 M N -3.465 116.113 119.600 -0.036 0.000 2.618 1036 M HA 0.030 4.509 4.480 -0.002 0.000 0.240 1036 M C 1.575 177.880 176.300 0.009 0.000 1.123 1036 M CA 1.026 56.340 55.300 0.023 0.000 1.060 1036 M CB -0.220 32.441 32.600 0.101 0.000 1.535 1036 M HN -0.051 nan 8.290 nan 0.000 0.507 1037 T N -0.085 114.446 114.554 -0.037 0.000 2.978 1037 T HA 0.340 4.689 4.350 -0.002 0.000 0.248 1037 T C 1.493 176.118 174.700 -0.124 0.000 1.018 1037 T CA 0.839 62.864 62.100 -0.126 0.000 1.026 1037 T CB 0.333 69.103 68.868 -0.163 0.000 1.032 1037 T HN 0.578 nan 8.240 nan 0.000 0.485 1038 G N 0.620 109.353 108.800 -0.112 0.000 2.834 1038 G HA2 0.263 4.222 3.960 -0.002 0.000 0.198 1038 G HA3 0.263 4.222 3.960 -0.002 0.000 0.198 1038 G C 0.231 175.077 174.900 -0.090 0.000 1.070 1038 G CA -0.219 44.815 45.100 -0.109 0.000 0.771 1038 G HN 0.297 nan 8.290 nan 0.000 0.601 1039 M N 2.129 121.670 119.600 -0.097 0.000 2.193 1039 M HA 0.349 4.828 4.480 -0.002 0.000 0.342 1039 M C -1.651 174.616 176.300 -0.055 0.000 1.413 1039 M CA -2.556 52.698 55.300 -0.076 0.000 1.191 1039 M CB 1.861 34.403 32.600 -0.096 0.000 1.633 1039 M HN -0.112 nan 8.290 nan 0.000 0.458 1040 P HA -0.216 nan 4.420 nan 0.000 0.213 1040 P C -0.030 177.262 177.300 -0.012 0.000 1.176 1040 P CA 1.074 64.156 63.100 -0.029 0.000 0.919 1040 P CB -0.192 31.499 31.700 -0.014 0.000 0.791 1041 Q N 1.254 121.054 119.800 -0.000 0.000 2.431 1041 Q HA -0.166 4.173 4.340 -0.002 0.000 0.349 1041 Q C -0.256 175.761 176.000 0.029 0.000 1.119 1041 Q CA 0.767 56.581 55.803 0.019 0.000 1.065 1041 Q CB -0.388 28.358 28.738 0.013 0.000 1.149 1041 Q HN 0.300 nan 8.270 nan 0.000 0.403 1042 L N 4.855 126.126 121.223 0.081 0.000 2.737 1042 L HA -0.038 4.301 4.340 -0.002 0.000 0.288 1042 L C 0.576 177.465 176.870 0.031 0.000 1.185 1042 L CA 0.418 55.359 54.840 0.168 0.000 1.127 1042 L CB -0.938 41.373 42.059 0.420 0.000 1.432 1042 L HN 0.799 nan 8.230 nan 0.000 0.449 1043 T N -0.197 114.344 114.554 -0.022 0.000 2.849 1043 T HA 0.084 4.433 4.350 -0.002 0.000 0.289 1043 T C 0.599 175.128 174.700 -0.284 0.000 1.010 1043 T CA -0.604 61.434 62.100 -0.103 0.000 1.161 1043 T CB 0.526 69.353 68.868 -0.068 0.000 0.989 1043 T HN 0.575 nan 8.240 nan 0.000 0.523 1044 S N 2.207 117.723 115.700 -0.306 0.000 2.690 1044 S HA 0.483 4.952 4.470 -0.002 0.000 0.291 1044 S C 0.905 175.368 174.600 -0.228 0.000 1.138 1044 S CA -1.196 56.730 58.200 -0.458 0.000 1.013 1044 S CB 1.562 64.553 63.200 -0.349 0.000 1.053 1044 S HN 0.620 nan 8.310 nan 0.000 0.539 1045 K N 1.084 121.358 120.400 -0.210 0.000 2.103 1045 K HA -0.075 4.244 4.320 -0.002 0.000 0.207 1045 K C 1.726 178.312 176.600 -0.023 0.000 1.048 1045 K CA 1.710 57.949 56.287 -0.080 0.000 0.930 1045 K CB -0.501 31.965 32.500 -0.057 0.000 0.716 1045 K HN 0.680 nan 8.250 nan 0.000 0.444 1046 E N 0.895 121.075 120.200 -0.033 0.000 2.110 1046 E HA -0.149 4.200 4.350 -0.002 0.000 0.193 1046 E C 1.481 178.124 176.600 0.073 0.000 0.988 1046 E CA 1.324 57.735 56.400 0.019 0.000 0.804 1046 E CB -0.168 29.538 29.700 0.010 0.000 0.745 1046 E HN 0.284 nan 8.360 nan 0.000 0.458 1047 D N 0.185 120.619 120.400 0.057 0.000 2.103 1047 D HA -0.068 4.571 4.640 -0.002 0.000 0.199 1047 D C 2.049 178.517 176.300 0.280 0.000 0.978 1047 D CA 0.831 54.910 54.000 0.132 0.000 0.829 1047 D CB -0.066 40.767 40.800 0.055 0.000 0.981 1047 D HN 0.204 nan 8.370 nan 0.000 0.464 1048 I N 1.423 122.134 120.570 0.234 0.000 2.226 1048 I HA -0.196 3.973 4.170 -0.002 0.000 0.245 1048 I C 2.077 178.353 176.117 0.266 0.000 1.100 1048 I CA 1.002 62.540 61.300 0.396 0.000 1.374 1048 I CB -0.331 37.791 38.000 0.205 0.000 1.057 1048 I HN -0.063 nan 8.210 nan 0.000 0.413 1049 E N 0.184 120.460 120.200 0.126 0.000 2.401 1049 E HA -0.254 4.095 4.350 -0.002 0.000 0.199 1049 E C 1.865 178.447 176.600 -0.031 0.000 1.023 1049 E CA 0.777 57.195 56.400 0.030 0.000 0.859 1049 E CB -0.228 29.484 29.700 0.019 0.000 0.780 1049 E HN 0.558 nan 8.360 nan 0.000 0.523 1050 Y N 1.289 121.548 120.300 -0.068 0.000 2.193 1050 Y HA -0.280 4.269 4.550 -0.002 0.000 0.285 1050 Y C 2.142 177.865 175.900 -0.295 0.000 1.166 1050 Y CA 1.292 59.322 58.100 -0.117 0.000 1.181 1050 Y CB -0.122 38.319 38.460 -0.031 0.000 0.976 1050 Y HN 0.023 nan 8.280 nan 0.000 0.520 1051 I N 0.676 120.925 120.570 -0.534 0.000 2.454 1051 I HA -0.234 3.935 4.170 -0.002 0.000 0.254 1051 I C 2.522 178.400 176.117 -0.399 0.000 1.156 1051 I CA 1.491 62.389 61.300 -0.669 0.000 1.433 1051 I CB -0.605 36.833 38.000 -0.938 0.000 1.082 1051 I HN 0.229 nan 8.210 nan 0.000 0.432 1052 R N 0.737 121.063 120.500 -0.288 0.000 2.070 1052 R HA -0.166 4.173 4.340 -0.002 0.000 0.232 1052 R C 1.919 178.093 176.300 -0.210 0.000 1.138 1052 R CA 2.218 58.204 56.100 -0.190 0.000 0.936 1052 R CB -0.573 29.652 30.300 -0.124 0.000 0.839 1052 R HN 0.316 nan 8.270 nan 0.000 0.429 1053 D N 0.450 120.699 120.400 -0.252 0.000 2.104 1053 D HA -0.162 4.477 4.640 -0.002 0.000 0.194 1053 D C 1.809 177.975 176.300 -0.222 0.000 0.994 1053 D CA 1.739 55.604 54.000 -0.225 0.000 0.830 1053 D CB -0.617 40.055 40.800 -0.212 0.000 0.959 1053 D HN 0.431 nan 8.370 nan 0.000 0.452 1054 A N 0.642 123.209 122.820 -0.422 0.000 1.908 1054 A HA -0.127 4.192 4.320 -0.002 0.000 0.218 1054 A C 2.173 179.754 177.584 -0.006 0.000 1.181 1054 A CA 1.058 52.855 52.037 -0.400 0.000 0.627 1054 A CB -0.764 17.758 19.000 -0.798 0.000 0.818 1054 A HN 0.263 nan 8.150 nan 0.000 0.445 1055 L N 0.694 121.880 121.223 -0.062 0.000 2.612 1055 L HA 0.039 4.378 4.340 -0.002 0.000 0.230 1055 L C 0.650 177.502 176.870 -0.029 0.000 1.140 1055 L CA 0.521 55.394 54.840 0.054 0.000 0.896 1055 L CB -0.771 41.258 42.059 -0.050 0.000 1.065 1055 L HN 0.647 nan 8.230 nan 0.000 0.447 1056 T N -2.020 112.477 114.554 -0.096 0.000 2.898 1056 T HA -0.162 4.187 4.350 -0.002 0.000 0.464 1056 T C -0.054 174.560 174.700 -0.144 0.000 0.778 1056 T CA -0.286 61.695 62.100 -0.199 0.000 2.398 1056 T CB -2.561 66.129 68.868 -0.296 0.000 1.647 1056 T HN -0.026 nan 8.240 nan 0.000 0.549 1057 V N 3.197 123.038 119.914 -0.121 0.000 2.775 1057 V HA 0.615 4.734 4.120 -0.002 0.000 0.299 1057 V C 2.135 178.183 176.094 -0.077 0.000 1.062 1057 V CA 0.953 63.198 62.300 -0.091 0.000 1.063 1057 V CB 0.640 32.418 31.823 -0.076 0.000 0.994 1057 V HN 1.693 nan 8.190 nan 0.000 0.483 1058 G N 3.942 112.706 108.800 -0.061 0.000 3.444 1058 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.222 1058 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.222 1058 G C 0.334 175.205 174.900 -0.048 0.000 1.358 1058 G CA 0.348 45.420 45.100 -0.047 0.000 0.880 1058 G HN 0.661 nan 8.290 nan 0.000 0.555 1059 K N 3.017 123.380 120.400 -0.060 0.000 2.561 1059 K HA 0.203 4.522 4.320 -0.002 0.000 0.280 1059 K C 1.169 177.742 176.600 -0.045 0.000 0.975 1059 K CA 0.528 56.784 56.287 -0.052 0.000 1.024 1059 K CB 0.167 32.623 32.500 -0.075 0.000 0.883 1059 K HN 0.806 nan 8.250 nan 0.000 0.496 1060 N N 1.561 120.246 118.700 -0.026 0.000 2.307 1060 N HA -0.143 4.596 4.740 -0.002 0.000 0.230 1060 N C 0.658 176.153 175.510 -0.025 0.000 1.297 1060 N CA 0.090 53.128 53.050 -0.020 0.000 0.884 1060 N CB 0.493 38.977 38.487 -0.006 0.000 1.115 1060 N HN 0.771 nan 8.380 nan 0.000 0.436 1061 E N -0.247 119.939 120.200 -0.024 0.000 2.106 1061 E HA -0.200 4.149 4.350 -0.002 0.000 0.192 1061 E C 0.990 177.584 176.600 -0.009 0.000 0.984 1061 E CA 0.767 57.148 56.400 -0.032 0.000 0.806 1061 E CB 0.140 29.829 29.700 -0.019 0.000 0.750 1061 E HN 0.519 nan 8.360 nan 0.000 0.458 1062 E N 1.078 121.283 120.200 0.008 0.000 2.051 1062 E HA -0.197 4.152 4.350 -0.002 0.000 0.192 1062 E C 1.788 178.418 176.600 0.049 0.000 0.991 1062 E CA 0.995 57.410 56.400 0.025 0.000 0.799 1062 E CB -0.334 29.380 29.700 0.022 0.000 0.748 1062 E HN 0.371 nan 8.360 nan 0.000 0.449 1063 D N 0.021 120.449 120.400 0.048 0.000 2.263 1063 D HA -0.098 4.541 4.640 -0.002 0.000 0.208 1063 D C 1.638 178.019 176.300 0.136 0.000 0.971 1063 D CA 0.944 54.992 54.000 0.080 0.000 0.867 1063 D CB 0.258 41.091 40.800 0.055 0.000 0.929 1063 D HN 0.094 nan 8.370 nan 0.000 0.492 1064 A N 1.370 124.250 122.820 0.099 0.000 1.832 1064 A HA -0.176 4.143 4.320 -0.002 0.000 0.214 1064 A C 2.177 179.935 177.584 0.291 0.000 1.200 1064 A CA 1.941 54.075 52.037 0.162 0.000 0.610 1064 A CB -0.679 18.298 19.000 -0.037 0.000 0.842 1064 A HN 0.243 nan 8.150 nan 0.000 0.444 1065 K N 0.125 120.624 120.400 0.165 0.000 2.144 1065 K HA -0.260 4.059 4.320 -0.002 0.000 0.209 1065 K C 1.845 178.582 176.600 0.228 0.000 1.047 1065 K CA 2.119 58.517 56.287 0.184 0.000 0.927 1065 K CB -0.178 32.375 32.500 0.088 0.000 0.716 1065 K HN 0.532 nan 8.250 nan 0.000 0.454 1066 K N -0.864 119.657 120.400 0.201 0.000 2.137 1066 K HA -0.136 4.183 4.320 -0.002 0.000 0.202 1066 K C 2.108 178.835 176.600 0.211 0.000 1.052 1066 K CA 1.162 57.550 56.287 0.169 0.000 0.961 1066 K CB -0.328 32.248 32.500 0.127 0.000 0.741 1066 K HN 0.218 nan 8.250 nan 0.000 0.452 1067 Y N 0.953 121.352 120.300 0.164 0.000 2.207 1067 Y HA -0.290 4.259 4.550 -0.002 0.000 0.287 1067 Y C 2.011 178.006 175.900 0.158 0.000 1.156 1067 Y CA 1.356 59.554 58.100 0.164 0.000 1.182 1067 Y CB -0.175 38.418 38.460 0.221 0.000 0.979 1067 Y HN -0.021 nan 8.280 nan 0.000 0.521 1068 F N 0.140 120.167 119.950 0.128 0.000 2.060 1068 F HA -0.180 4.346 4.527 -0.002 0.000 0.295 1068 F C 2.052 177.779 175.800 -0.122 0.000 1.120 1068 F CA 1.659 59.586 58.000 -0.122 0.000 1.205 1068 F CB -0.872 38.094 39.000 -0.058 0.000 0.986 1068 F HN 0.015 nan 8.300 nan 0.000 0.470 1069 L N 0.102 121.337 121.223 0.020 0.000 2.089 1069 L HA -0.307 4.032 4.340 -0.002 0.000 0.213 1069 L C 2.098 178.888 176.870 -0.133 0.000 1.079 1069 L CA 1.639 56.445 54.840 -0.056 0.000 0.758 1069 L CB -0.841 41.236 42.059 0.030 0.000 0.891 1069 L HN 0.130 nan 8.230 nan 0.000 0.433 1070 D N -0.785 119.527 120.400 -0.146 0.000 2.149 1070 D HA -0.185 4.454 4.640 -0.002 0.000 0.198 1070 D C 2.366 178.494 176.300 -0.287 0.000 0.990 1070 D CA 0.909 54.803 54.000 -0.178 0.000 0.839 1070 D CB -0.141 40.557 40.800 -0.170 0.000 0.948 1070 D HN 0.321 nan 8.370 nan 0.000 0.460 1071 Q N 0.153 119.681 119.800 -0.454 0.000 2.079 1071 Q HA -0.041 4.298 4.340 -0.002 0.000 0.200 1071 Q C 2.621 178.330 176.000 -0.485 0.000 0.974 1071 Q CA 0.462 55.938 55.803 -0.545 0.000 0.840 1071 Q CB -0.225 28.048 28.738 -0.775 0.000 0.898 1071 Q HN 0.430 nan 8.270 nan 0.000 0.430 1072 I N 0.872 121.211 120.570 -0.386 0.000 2.118 1072 I HA -0.306 3.863 4.170 -0.002 0.000 0.241 1072 I C 2.433 178.458 176.117 -0.155 0.000 1.070 1072 I CA 1.456 62.650 61.300 -0.177 0.000 1.327 1072 I CB -0.333 37.700 38.000 0.055 0.000 1.034 1072 I HN 0.199 nan 8.210 nan 0.000 0.405 1073 E N 1.184 121.315 120.200 -0.115 0.000 2.070 1073 E HA -0.198 4.151 4.350 -0.002 0.000 0.197 1073 E C 2.054 178.565 176.600 -0.147 0.000 1.004 1073 E CA 1.656 58.004 56.400 -0.087 0.000 0.805 1073 E CB -0.356 29.304 29.700 -0.067 0.000 0.744 1073 E HN 0.290 nan 8.360 nan 0.000 0.451 1074 V N -0.113 119.679 119.914 -0.204 0.000 2.453 1074 V HA -0.370 3.749 4.120 -0.002 0.000 0.252 1074 V C 2.533 178.488 176.094 -0.232 0.000 1.068 1074 V CA 1.824 63.999 62.300 -0.208 0.000 1.070 1074 V CB -0.652 31.026 31.823 -0.242 0.000 0.664 1074 V HN 0.482 nan 8.190 nan 0.000 0.461 1075 C N -0.251 118.864 119.300 -0.308 0.000 2.466 1075 C HA -0.060 4.399 4.460 -0.002 0.000 0.278 1075 C C 2.892 177.733 174.990 -0.249 0.000 1.288 1075 C CA 0.379 59.202 59.018 -0.325 0.000 1.722 1075 C CB -1.040 26.436 27.740 -0.440 0.000 2.017 1075 C HN 0.507 nan 8.230 nan 0.000 0.488 1076 R N 1.470 121.847 120.500 -0.204 0.000 2.083 1076 R HA -0.095 4.244 4.340 -0.002 0.000 0.237 1076 R C 1.064 177.271 176.300 -0.155 0.000 1.137 1076 R CA 1.249 57.239 56.100 -0.184 0.000 0.951 1076 R CB -1.176 29.040 30.300 -0.140 0.000 0.851 1076 R HN 0.579 nan 8.270 nan 0.000 0.434 1077 D N 0.856 121.178 120.400 -0.130 0.000 2.358 1077 D HA -0.025 4.614 4.640 -0.002 0.000 0.241 1077 D C 0.898 177.138 176.300 -0.099 0.000 1.094 1077 D CA 0.673 54.612 54.000 -0.101 0.000 0.907 1077 D CB 0.166 40.915 40.800 -0.085 0.000 0.893 1077 D HN 0.315 nan 8.370 nan 0.000 0.528 1078 K N -1.003 119.321 120.400 -0.127 0.000 2.558 1078 K HA 0.162 4.481 4.320 -0.002 0.000 0.215 1078 K C 1.421 177.949 176.600 -0.120 0.000 1.298 1078 K CA 0.295 56.519 56.287 -0.105 0.000 1.008 1078 K CB 1.767 34.200 32.500 -0.112 0.000 1.073 1078 K HN 0.046 nan 8.250 nan 0.000 0.606 1079 G N 2.190 110.868 108.800 -0.203 0.000 2.693 1079 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.354 1079 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.354 1079 G C 0.239 174.894 174.900 -0.408 0.000 1.207 1079 G CA 1.338 46.230 45.100 -0.347 0.000 0.958 1079 G HN 0.474 nan 8.290 nan 0.000 0.560 1080 W N 1.606 122.926 121.300 0.032 0.000 3.223 1080 W HA 0.468 5.127 4.660 -0.002 0.000 0.389 1080 W C 2.344 178.952 176.519 0.149 0.000 1.118 1080 W CA 0.314 57.736 57.345 0.129 0.000 1.902 1080 W CB -0.102 29.468 29.460 0.183 0.000 1.094 1080 W HN 0.418 nan 8.180 nan 0.000 0.666 1081 T N 0.847 115.524 114.554 0.206 0.000 2.545 1081 T HA -0.244 4.106 4.350 -0.002 0.000 0.261 1081 T C 1.989 176.809 174.700 0.200 0.000 1.097 1081 T CA 2.139 64.347 62.100 0.179 0.000 1.189 1081 T CB -0.793 68.113 68.868 0.064 0.000 0.863 1081 T HN -0.068 nan 8.240 nan 0.000 0.405 1082 V N 1.867 121.840 119.914 0.099 0.000 2.324 1082 V HA -0.230 3.889 4.120 -0.002 0.000 0.250 1082 V C 2.795 178.982 176.094 0.155 0.000 1.060 1082 V CA 1.656 63.975 62.300 0.031 0.000 1.042 1082 V CB -0.821 31.009 31.823 0.013 0.000 0.650 1082 V HN 0.399 nan 8.190 nan 0.000 0.450 1083 Q N -0.908 119.108 119.800 0.359 0.000 2.046 1083 Q HA -0.160 4.179 4.340 -0.002 0.000 0.200 1083 Q C 2.158 178.585 176.000 0.712 0.000 0.975 1083 Q CA 1.776 57.935 55.803 0.593 0.000 0.836 1083 Q CB -0.556 28.573 28.738 0.652 0.000 0.896 1083 Q HN 0.677 nan 8.270 nan 0.000 0.428 1084 F N 2.241 122.468 119.950 0.461 0.000 2.202 1084 F HA -0.192 4.334 4.527 -0.002 0.000 0.301 1084 F C 1.522 177.481 175.800 0.265 0.000 1.082 1084 F CA 1.299 59.468 58.000 0.281 0.000 1.313 1084 F CB -0.206 38.835 39.000 0.068 0.000 1.024 1084 F HN 0.101 nan 8.300 nan 0.000 0.495 1085 N N -0.749 118.000 118.700 0.082 0.000 2.142 1085 N HA -0.174 4.565 4.740 -0.002 0.000 0.186 1085 N C 1.657 177.179 175.510 0.020 0.000 1.023 1085 N CA 1.699 54.689 53.050 -0.099 0.000 0.852 1085 N CB -0.739 37.644 38.487 -0.175 0.000 0.998 1085 N HN 0.443 nan 8.380 nan 0.000 0.424 1086 W N -0.202 121.198 121.300 0.167 0.000 2.363 1086 W HA -0.105 4.554 4.660 -0.001 0.000 0.296 1086 W C 1.770 178.288 176.519 -0.002 0.000 1.212 1086 W CA 0.118 57.523 57.345 0.100 0.000 1.260 1086 W CB -0.290 29.348 29.460 0.297 0.000 1.131 1086 W HN 0.034 nan 8.180 nan 0.000 0.530 1087 F N 0.321 120.446 119.950 0.292 0.000 2.146 1087 F HA -0.144 4.382 4.527 -0.002 0.000 0.298 1087 F C 2.033 177.817 175.800 -0.025 0.000 1.096 1087 F CA 1.665 59.773 58.000 0.180 0.000 1.275 1087 F CB -0.557 38.595 39.000 0.254 0.000 1.008 1087 F HN -0.287 nan 8.300 nan 0.000 0.480 1088 L N -1.085 120.182 121.223 0.073 0.000 2.217 1088 L HA -0.188 4.151 4.340 -0.002 0.000 0.211 1088 L C 2.370 179.250 176.870 0.017 0.000 1.107 1088 L CA 1.390 56.199 54.840 -0.050 0.000 0.783 1088 L CB -0.870 41.031 42.059 -0.264 0.000 0.919 1088 L HN 0.304 nan 8.230 nan 0.000 0.442 1089 H N -0.765 118.271 119.070 -0.056 0.000 2.415 1089 H HA -0.045 4.510 4.556 -0.002 0.000 0.297 1089 H C 1.962 177.264 175.328 -0.042 0.000 1.048 1089 H CA 0.625 56.659 56.048 -0.023 0.000 1.365 1089 H CB 0.620 30.409 29.762 0.045 0.000 1.421 1089 H HN 0.120 nan 8.280 nan 0.000 0.533 1090 L N -0.477 120.713 121.223 -0.054 0.000 2.356 1090 L HA -0.014 4.325 4.340 -0.002 0.000 0.193 1090 L C 2.384 179.094 176.870 -0.266 0.000 1.087 1090 L CA 0.535 55.226 54.840 -0.249 0.000 0.817 1090 L CB -0.429 41.346 42.059 -0.473 0.000 1.035 1090 L HN 0.072 nan 8.230 nan 0.000 0.482 1091 V N -0.233 119.444 119.914 -0.393 0.000 2.867 1091 V HA -0.168 3.951 4.120 -0.002 0.000 0.260 1091 V C 1.771 177.692 176.094 -0.289 0.000 1.099 1091 V CA 1.330 63.331 62.300 -0.499 0.000 1.122 1091 V CB -0.467 30.636 31.823 -1.200 0.000 0.708 1091 V HN 0.322 nan 8.190 nan 0.000 0.490 1092 L N -0.433 120.689 121.223 -0.169 0.000 2.966 1092 L HA 0.443 4.782 4.340 -0.002 0.000 0.262 1092 L C 1.262 178.119 176.870 -0.022 0.000 1.165 1092 L CA 0.418 55.224 54.840 -0.057 0.000 0.978 1092 L CB 0.317 42.371 42.059 -0.007 0.000 1.337 1092 L HN 0.451 nan 8.230 nan 0.000 0.563 1093 G N 2.336 111.124 108.800 -0.021 0.000 2.381 1093 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.281 1093 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.281 1093 G C -0.338 174.594 174.900 0.054 0.000 0.984 1093 G CA 0.312 45.426 45.100 0.023 0.000 1.339 1093 G HN 0.280 nan 8.290 nan 0.000 0.485 1094 I N 0.000 120.629 120.570 0.099 0.000 2.984 1094 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 1094 I CA 0.000 61.317 61.300 0.028 0.000 1.566 1094 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 1094 I HN 0.000 nan 8.210 nan 0.000 0.494