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 3l13_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM AXXXXXXXXX XXXXEQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXCDRKFR VKIRGIDIPV LPRNTDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXLLY YVNLLLIDHR FLLRRGEYVL HMWQISGXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN XXHPIAXXXX XXXXXXXXXX DATA SEQUENCE XRAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHXXXXX XXXXXXXXER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLV 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 0.013 0.000 1.140 143 M CA 0.000 55.310 55.300 0.017 0.000 0.988 143 M CB 0.000 32.614 32.600 0.023 0.000 1.302 144 S N -1.363 114.347 115.700 0.016 0.000 2.689 144 S HA 0.686 5.154 4.470 -0.003 0.000 0.306 144 S C 0.595 175.205 174.600 0.016 0.000 1.104 144 S CA 0.569 58.776 58.200 0.011 0.000 0.973 144 S CB 1.900 65.102 63.200 0.004 0.000 1.121 144 S HN 0.988 nan 8.310 nan 0.000 0.523 145 E N 0.416 120.623 120.200 0.012 0.000 2.015 145 E HA -0.069 4.279 4.350 -0.003 0.000 0.191 145 E C 1.475 178.088 176.600 0.023 0.000 0.991 145 E CA 1.002 57.411 56.400 0.015 0.000 0.802 145 E CB -0.102 29.604 29.700 0.009 0.000 0.759 145 E HN 0.707 nan 8.360 nan 0.000 0.447 146 E N 0.257 120.469 120.200 0.020 0.000 2.418 146 E HA -0.095 4.253 4.350 -0.003 0.000 0.197 146 E C 1.855 178.487 176.600 0.054 0.000 1.026 146 E CA 0.218 56.637 56.400 0.031 0.000 0.862 146 E CB 0.108 29.815 29.700 0.012 0.000 0.799 146 E HN 0.055 nan 8.360 nan 0.000 0.518 147 S N 0.268 115.996 115.700 0.047 0.000 2.481 147 S HA -0.128 4.340 4.470 -0.003 0.000 0.231 147 S C 1.696 176.366 174.600 0.118 0.000 0.996 147 S CA 0.925 59.171 58.200 0.077 0.000 0.942 147 S CB 0.151 63.379 63.200 0.046 0.000 0.768 147 S HN 0.199 nan 8.310 nan 0.000 0.520 148 Q N -0.398 119.451 119.800 0.082 0.000 2.391 148 Q HA 0.416 4.754 4.340 -0.003 0.000 0.211 148 Q C 2.211 178.251 176.000 0.067 0.000 0.908 148 Q CA 0.654 56.496 55.803 0.065 0.000 0.920 148 Q CB -0.047 28.712 28.738 0.036 0.000 1.056 148 Q HN 0.623 nan 8.270 nan 0.000 0.523 149 A N 0.009 122.879 122.820 0.084 0.000 2.015 149 A HA -0.148 4.170 4.320 -0.003 0.000 0.219 149 A C 1.664 179.332 177.584 0.139 0.000 1.163 149 A CA 0.763 52.852 52.037 0.086 0.000 0.646 149 A CB -0.459 18.587 19.000 0.076 0.000 0.806 149 A HN 0.451 nan 8.150 nan 0.000 0.448 150 F N 0.541 120.491 119.950 0.000 0.000 2.163 150 F HA -0.078 4.448 4.527 -0.002 0.000 0.297 150 F C 2.272 178.072 175.800 0.001 0.000 1.094 150 F CA 1.929 59.930 58.000 0.001 0.000 1.290 150 F CB -0.427 38.572 39.000 -0.002 0.000 1.017 150 F HN 0.326 nan 8.300 nan 0.000 0.483 151 Q N 1.081 120.857 119.800 -0.041 0.000 2.172 151 Q HA -0.163 4.175 4.340 -0.003 0.000 0.200 151 Q C 2.269 178.191 176.000 -0.129 0.000 0.964 151 Q CA 1.837 57.553 55.803 -0.145 0.000 0.855 151 Q CB -0.412 28.303 28.738 -0.039 0.000 0.918 151 Q HN 0.566 nan 8.270 nan 0.000 0.444 152 R N -0.419 120.042 120.500 -0.066 0.000 2.240 152 R HA -0.063 4.275 4.340 -0.003 0.000 0.203 152 R C 2.013 178.277 176.300 -0.059 0.000 1.011 152 R CA 1.136 57.204 56.100 -0.053 0.000 1.007 152 R CB -0.310 29.977 30.300 -0.022 0.000 0.911 152 R HN 0.375 nan 8.270 nan 0.000 0.468 153 Q N 1.483 121.239 119.800 -0.073 0.000 2.083 153 Q HA -0.054 4.285 4.340 -0.003 0.000 0.198 153 Q C 2.070 177.992 176.000 -0.129 0.000 0.969 153 Q CA 1.275 57.036 55.803 -0.070 0.000 0.838 153 Q CB -0.075 28.649 28.738 -0.024 0.000 0.900 153 Q HN 0.454 nan 8.270 nan 0.000 0.436 154 L N 0.271 121.342 121.223 -0.252 0.000 2.046 154 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 154 L C 2.442 179.235 176.870 -0.129 0.000 1.077 154 L CA 1.692 56.387 54.840 -0.242 0.000 0.747 154 L CB -0.710 41.138 42.059 -0.353 0.000 0.896 154 L HN 0.342 nan 8.230 nan 0.000 0.432 155 T N -0.170 114.318 114.554 -0.110 0.000 2.833 155 T HA -0.151 4.197 4.350 -0.003 0.000 0.269 155 T C 1.871 176.541 174.700 -0.049 0.000 1.054 155 T CA 1.253 63.309 62.100 -0.073 0.000 1.135 155 T CB -0.149 68.672 68.868 -0.078 0.000 0.869 155 T HN 0.459 nan 8.240 nan 0.000 0.466 156 A N 0.704 123.498 122.820 -0.043 0.000 2.021 156 A HA 0.254 4.573 4.320 -0.003 0.000 0.216 156 A C 2.149 179.731 177.584 -0.004 0.000 1.163 156 A CA 0.600 52.627 52.037 -0.017 0.000 0.676 156 A CB -0.446 18.550 19.000 -0.007 0.000 0.818 156 A HN 0.467 nan 8.150 nan 0.000 0.453 157 L N -0.767 120.452 121.223 -0.007 0.000 2.341 157 L HA 0.034 4.373 4.340 -0.003 0.000 0.214 157 L C 2.105 178.929 176.870 -0.078 0.000 1.115 157 L CA 0.560 55.419 54.840 0.032 0.000 0.820 157 L CB -0.244 41.864 42.059 0.080 0.000 0.944 157 L HN 0.342 nan 8.230 nan 0.000 0.452 158 I N -0.539 119.973 120.570 -0.096 0.000 2.400 158 I HA 0.011 4.179 4.170 -0.003 0.000 0.248 158 I C 1.634 177.701 176.117 -0.083 0.000 1.109 158 I CA 0.880 62.097 61.300 -0.138 0.000 1.425 158 I CB -0.350 37.617 38.000 -0.055 0.000 1.094 158 I HN 0.362 nan 8.210 nan 0.000 0.425 159 G N 0.573 109.361 108.800 -0.020 0.000 2.160 159 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.251 159 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.251 159 G C -0.131 174.841 174.900 0.120 0.000 1.008 159 G CA 0.200 45.316 45.100 0.027 0.000 0.724 159 G HN 0.405 nan 8.290 nan 0.000 0.514 160 Y N -0.485 119.782 120.300 -0.055 0.000 2.521 160 Y HA 0.488 5.036 4.550 -0.003 0.000 0.332 160 Y C -1.308 174.564 175.900 -0.047 0.000 1.121 160 Y CA -1.144 56.931 58.100 -0.041 0.000 1.037 160 Y CB 1.850 40.289 38.460 -0.034 0.000 1.330 160 Y HN 0.079 nan 8.280 nan 0.000 0.452 161 D N 3.795 123.863 120.400 -0.554 0.000 2.365 161 D HA 0.216 4.854 4.640 -0.003 0.000 0.237 161 D C 0.867 177.027 176.300 -0.232 0.000 1.190 161 D CA 0.074 53.872 54.000 -0.337 0.000 0.867 161 D CB 1.379 41.977 40.800 -0.338 0.000 1.050 161 D HN 0.468 nan 8.370 nan 0.000 0.491 162 V N 1.777 121.690 119.914 -0.000 0.000 3.217 162 V HA -0.037 4.081 4.120 -0.003 0.000 0.264 162 V C 1.677 177.785 176.094 0.022 0.000 1.135 162 V CA 1.574 63.924 62.300 0.084 0.000 1.142 162 V CB -0.916 30.950 31.823 0.071 0.000 0.754 162 V HN 0.634 nan 8.190 nan 0.000 0.484 163 T N -2.891 111.648 114.554 -0.024 0.000 3.067 163 T HA 0.049 4.397 4.350 -0.003 0.000 0.261 163 T C 0.605 175.289 174.700 -0.026 0.000 1.110 163 T CA 0.470 62.559 62.100 -0.019 0.000 1.113 163 T CB -0.562 68.289 68.868 -0.027 0.000 0.917 163 T HN 0.517 nan 8.240 nan 0.000 0.499 164 D N 1.241 121.606 120.400 -0.058 0.000 2.443 164 D HA 0.262 4.900 4.640 -0.003 0.000 0.239 164 D C 0.903 177.193 176.300 -0.016 0.000 1.136 164 D CA 0.471 54.433 54.000 -0.063 0.000 0.879 164 D CB 1.204 41.922 40.800 -0.138 0.000 1.195 164 D HN 0.200 nan 8.370 nan 0.000 0.443 165 V N -0.015 119.892 119.914 -0.011 0.000 3.199 165 V HA 0.136 4.254 4.120 -0.003 0.000 0.331 165 V C 1.325 177.423 176.094 0.006 0.000 1.446 165 V CA 0.318 62.622 62.300 0.008 0.000 1.120 165 V CB -0.089 31.743 31.823 0.015 0.000 1.051 165 V HN 0.506 nan 8.190 nan 0.000 0.495 166 S N 0.252 115.947 115.700 -0.008 0.000 2.474 166 S HA -0.027 4.441 4.470 -0.003 0.000 0.235 166 S C 1.153 175.748 174.600 -0.009 0.000 0.997 166 S CA 1.599 59.790 58.200 -0.015 0.000 0.949 166 S CB -0.513 62.666 63.200 -0.035 0.000 0.766 166 S HN 0.625 nan 8.310 nan 0.000 0.517 167 N N 0.895 119.600 118.700 0.009 0.000 2.644 167 N HA 0.313 5.051 4.740 -0.003 0.000 0.313 167 N C -1.150 174.380 175.510 0.033 0.000 1.863 167 N CA -0.354 52.706 53.050 0.016 0.000 0.918 167 N CB 1.153 39.653 38.487 0.020 0.000 1.320 167 N HN 0.315 nan 8.380 nan 0.000 0.490 168 V N -0.581 119.353 119.914 0.033 0.000 2.932 168 V HA 0.462 4.580 4.120 -0.003 0.000 0.307 168 V C 0.433 176.548 176.094 0.035 0.000 1.147 168 V CA -0.884 61.408 62.300 -0.013 0.000 0.951 168 V CB 1.661 33.462 31.823 -0.037 0.000 1.031 168 V HN 0.406 nan 8.190 nan 0.000 0.426 169 H N 0.906 120.043 119.070 0.111 0.000 2.505 169 H HA 0.471 5.025 4.556 -0.003 0.000 0.286 169 H C -0.473 174.969 175.328 0.190 0.000 1.072 169 H CA 0.417 56.562 56.048 0.162 0.000 1.141 169 H CB 0.598 30.512 29.762 0.254 0.000 1.550 169 H HN 0.912 nan 8.280 nan 0.000 0.547 170 D N 0.379 120.744 120.400 -0.059 0.000 3.182 170 D HA -0.048 4.590 4.640 -0.003 0.000 0.352 170 D C -0.304 176.013 176.300 0.029 0.000 1.421 170 D CA -0.268 53.765 54.000 0.055 0.000 0.912 170 D CB 0.011 40.892 40.800 0.136 0.000 1.461 170 D HN 0.058 nan 8.370 nan 0.000 0.548 171 D N -1.142 119.313 120.400 0.092 0.000 2.571 171 D HA 0.065 4.704 4.640 -0.003 0.000 0.239 171 D C 0.649 176.957 176.300 0.014 0.000 1.267 171 D CA -0.210 53.847 54.000 0.095 0.000 0.823 171 D CB 0.330 41.229 40.800 0.165 0.000 1.056 171 D HN 0.538 nan 8.370 nan 0.000 0.494 172 E N 0.781 120.849 120.200 -0.221 0.000 2.051 172 E HA -0.130 4.218 4.350 -0.003 0.000 0.192 172 E C 1.916 178.509 176.600 -0.011 0.000 0.991 172 E CA 0.722 56.791 56.400 -0.552 0.000 0.799 172 E CB 0.074 29.474 29.700 -0.501 0.000 0.748 172 E HN 0.284 nan 8.360 nan 0.000 0.449 173 L N 0.814 122.090 121.223 0.088 0.000 2.083 173 L HA -0.139 4.199 4.340 -0.003 0.000 0.209 173 L C 2.630 179.541 176.870 0.067 0.000 1.083 173 L CA 0.896 55.769 54.840 0.057 0.000 0.752 173 L CB -0.198 41.836 42.059 -0.042 0.000 0.899 173 L HN 0.131 nan 8.230 nan 0.000 0.433 174 E N -0.513 119.740 120.200 0.088 0.000 2.285 174 E HA -0.156 4.192 4.350 -0.003 0.000 0.194 174 E C 1.891 178.577 176.600 0.143 0.000 0.997 174 E CA 0.652 57.109 56.400 0.096 0.000 0.845 174 E CB 0.128 29.883 29.700 0.092 0.000 0.782 174 E HN 0.451 nan 8.360 nan 0.000 0.491 175 F N 0.634 120.601 119.950 0.029 0.000 2.512 175 F HA -0.040 4.486 4.527 -0.002 0.000 0.296 175 F C 1.843 177.681 175.800 0.063 0.000 1.110 175 F CA 1.126 59.169 58.000 0.072 0.000 1.446 175 F CB 0.259 39.342 39.000 0.138 0.000 1.092 175 F HN -0.138 nan 8.300 nan 0.000 0.554 176 T N 0.021 114.672 114.554 0.162 0.000 3.067 176 T HA 0.054 4.402 4.350 -0.003 0.000 0.257 176 T C 1.895 176.604 174.700 0.014 0.000 1.105 176 T CA 0.377 62.531 62.100 0.091 0.000 1.104 176 T CB -0.082 68.890 68.868 0.173 0.000 0.925 176 T HN 0.225 nan 8.240 nan 0.000 0.498 177 R N 1.061 121.568 120.500 0.012 0.000 2.062 177 R HA 0.127 4.465 4.340 -0.003 0.000 0.229 177 R C 2.683 178.965 176.300 -0.030 0.000 1.128 177 R CA 0.967 57.068 56.100 0.002 0.000 0.960 177 R CB -0.053 30.255 30.300 0.014 0.000 0.855 177 R HN 0.264 nan 8.270 nan 0.000 0.432 178 R N -0.340 120.118 120.500 -0.069 0.000 2.092 178 R HA -0.062 4.276 4.340 -0.003 0.000 0.231 178 R C 2.366 178.572 176.300 -0.158 0.000 1.119 178 R CA 1.293 57.327 56.100 -0.110 0.000 0.970 178 R CB -0.482 29.733 30.300 -0.140 0.000 0.864 178 R HN 0.319 nan 8.270 nan 0.000 0.440 179 G N 1.365 110.022 108.800 -0.239 0.000 2.440 179 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.218 179 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.218 179 G C 1.358 176.211 174.900 -0.078 0.000 1.154 179 G CA 0.563 45.536 45.100 -0.211 0.000 0.767 179 G HN 0.171 nan 8.290 nan 0.000 0.552 180 L N 0.617 121.817 121.223 -0.038 0.000 2.554 180 L HA 0.083 4.421 4.340 -0.003 0.000 0.226 180 L C 2.671 179.543 176.870 0.003 0.000 1.137 180 L CA -0.351 54.491 54.840 0.003 0.000 0.863 180 L CB 0.033 42.108 42.059 0.027 0.000 0.985 180 L HN 0.037 nan 8.230 nan 0.000 0.451 181 V N -0.243 119.664 119.914 -0.013 0.000 2.332 181 V HA -0.314 3.804 4.120 -0.003 0.000 0.248 181 V C 2.538 178.629 176.094 -0.004 0.000 1.055 181 V CA 2.432 64.729 62.300 -0.006 0.000 1.038 181 V CB -0.641 31.174 31.823 -0.013 0.000 0.651 181 V HN 0.473 nan 8.190 nan 0.000 0.450 182 T N 0.142 114.690 114.554 -0.009 0.000 2.668 182 T HA -0.072 4.276 4.350 -0.003 0.000 0.262 182 T C -0.006 174.697 174.700 0.006 0.000 1.045 182 T CA 1.888 63.986 62.100 -0.003 0.000 1.152 182 T CB -1.160 67.705 68.868 -0.005 0.000 0.864 182 T HN 0.437 nan 8.240 nan 0.000 0.419 183 P HA -0.092 nan 4.420 nan 0.000 0.218 183 P C 1.370 178.683 177.300 0.020 0.000 1.146 183 P CA 1.173 64.288 63.100 0.025 0.000 0.813 183 P CB -0.058 31.666 31.700 0.040 0.000 0.778 184 R N -0.209 120.302 120.500 0.018 0.000 2.062 184 R HA 0.023 4.361 4.340 -0.003 0.000 0.229 184 R C 2.114 178.410 176.300 -0.007 0.000 1.128 184 R CA 1.549 57.656 56.100 0.012 0.000 0.960 184 R CB -0.631 29.679 30.300 0.017 0.000 0.855 184 R HN 0.062 nan 8.270 nan 0.000 0.432 185 M N 0.186 119.781 119.600 -0.008 0.000 2.394 185 M HA 0.042 4.520 4.480 -0.003 0.000 0.264 185 M C 2.333 178.622 176.300 -0.019 0.000 1.073 185 M CA 1.222 56.511 55.300 -0.017 0.000 1.111 185 M CB -0.119 32.473 32.600 -0.014 0.000 1.401 185 M HN 0.353 nan 8.290 nan 0.000 0.448 186 A N 0.422 123.237 122.820 -0.010 0.000 1.898 186 A HA -0.160 4.159 4.320 -0.003 0.000 0.216 186 A C 2.055 179.629 177.584 -0.016 0.000 1.181 186 A CA 1.849 53.881 52.037 -0.008 0.000 0.620 186 A CB -0.448 18.555 19.000 0.005 0.000 0.819 186 A HN 0.362 nan 8.150 nan 0.000 0.442 187 E N -0.039 120.151 120.200 -0.018 0.000 2.046 187 E HA -0.076 4.272 4.350 -0.003 0.000 0.190 187 E C 1.920 178.480 176.600 -0.067 0.000 0.982 187 E CA 1.359 57.741 56.400 -0.029 0.000 0.800 187 E CB -0.553 29.137 29.700 -0.017 0.000 0.756 187 E HN 0.187 nan 8.360 nan 0.000 0.449 188 V N 1.088 120.955 119.914 -0.078 0.000 2.282 188 V HA -0.326 3.792 4.120 -0.003 0.000 0.249 188 V C 2.389 178.419 176.094 -0.107 0.000 1.057 188 V CA 2.182 64.409 62.300 -0.123 0.000 1.032 188 V CB -1.021 30.744 31.823 -0.097 0.000 0.645 188 V HN 0.445 nan 8.190 nan 0.000 0.447 189 A N 0.096 122.875 122.820 -0.067 0.000 2.015 189 A HA -0.094 4.224 4.320 -0.003 0.000 0.219 189 A C 2.079 179.635 177.584 -0.046 0.000 1.163 189 A CA 1.664 53.670 52.037 -0.052 0.000 0.646 189 A CB -0.369 18.610 19.000 -0.034 0.000 0.806 189 A HN 0.712 nan 8.150 nan 0.000 0.448 190 S N -0.392 115.282 115.700 -0.043 0.000 2.537 190 S HA 0.316 4.784 4.470 -0.003 0.000 0.246 190 S C 0.263 174.843 174.600 -0.034 0.000 1.036 190 S CA -0.624 57.559 58.200 -0.029 0.000 1.041 190 S CB -0.366 62.825 63.200 -0.014 0.000 0.799 190 S HN 0.656 nan 8.310 nan 0.000 0.456 191 R N 0.571 121.033 120.500 -0.062 0.000 2.514 191 R HA 0.407 4.745 4.340 -0.003 0.000 0.301 191 R C -1.241 175.034 176.300 -0.041 0.000 0.962 191 R CA -0.581 55.480 56.100 -0.065 0.000 0.882 191 R CB 0.743 30.951 30.300 -0.153 0.000 1.143 191 R HN 0.066 nan 8.270 nan 0.000 0.452 192 D N 4.632 125.036 120.400 0.007 0.000 2.363 192 D HA 0.048 4.686 4.640 -0.003 0.000 0.263 192 D C -1.507 174.825 176.300 0.055 0.000 1.258 192 D CA -1.717 52.299 54.000 0.027 0.000 0.907 192 D CB 1.531 42.356 40.800 0.041 0.000 1.107 192 D HN 0.403 nan 8.370 nan 0.000 0.495 193 P HA -0.146 nan 4.420 nan 0.000 0.215 193 P C 1.376 178.730 177.300 0.090 0.000 1.153 193 P CA 0.998 64.140 63.100 0.070 0.000 0.853 193 P CB 0.350 32.067 31.700 0.027 0.000 0.788 194 K N -0.451 119.974 120.400 0.041 0.000 2.026 194 K HA -0.082 4.236 4.320 -0.003 0.000 0.208 194 K C 1.938 178.536 176.600 -0.004 0.000 1.048 194 K CA 1.304 57.594 56.287 0.005 0.000 0.929 194 K CB -0.641 31.857 32.500 -0.004 0.000 0.713 194 K HN 0.166 nan 8.250 nan 0.000 0.439 195 L N -0.439 120.808 121.223 0.039 0.000 2.395 195 L HA -0.105 4.234 4.340 -0.003 0.000 0.218 195 L C 2.150 179.074 176.870 0.091 0.000 1.130 195 L CA 0.387 55.252 54.840 0.042 0.000 0.826 195 L CB -0.255 41.842 42.059 0.064 0.000 0.941 195 L HN 0.177 nan 8.230 nan 0.000 0.451 196 Y N 0.615 120.915 120.300 0.001 0.000 2.395 196 Y HA -0.029 4.519 4.550 -0.003 0.000 0.293 196 Y C 2.368 178.291 175.900 0.037 0.000 1.123 196 Y CA 0.730 58.847 58.100 0.028 0.000 1.227 196 Y CB 0.014 38.484 38.460 0.017 0.000 1.012 196 Y HN 0.072 nan 8.280 nan 0.000 0.552 197 A N 0.011 122.801 122.820 -0.049 0.000 1.929 197 A HA -0.072 4.246 4.320 -0.003 0.000 0.216 197 A C 2.067 179.532 177.584 -0.198 0.000 1.176 197 A CA 1.705 53.656 52.037 -0.143 0.000 0.628 197 A CB -0.500 18.439 19.000 -0.102 0.000 0.816 197 A HN 0.525 nan 8.150 nan 0.000 0.444 198 M N -0.553 118.853 119.600 -0.324 0.000 2.492 198 M HA 0.066 4.544 4.480 -0.003 0.000 0.255 198 M C 0.268 176.127 176.300 -0.736 0.000 1.139 198 M CA 0.526 55.405 55.300 -0.703 0.000 1.096 198 M CB -0.130 32.006 32.600 -0.773 0.000 1.360 198 M HN 0.742 nan 8.290 nan 0.000 0.480 199 H N -0.598 118.418 119.070 -0.090 0.000 2.557 199 H HA -0.078 4.476 4.556 -0.003 0.000 0.319 199 H C -2.461 172.932 175.328 0.108 0.000 1.102 199 H CA -0.311 55.729 56.048 -0.013 0.000 1.126 199 H CB -2.428 27.281 29.762 -0.088 0.000 1.498 199 H HN 0.210 nan 8.280 nan 0.000 0.411 200 P HA -0.088 nan 4.420 nan 0.000 0.262 200 P C 0.235 177.716 177.300 0.303 0.000 1.182 200 P CA 0.321 63.569 63.100 0.246 0.000 0.761 200 P CB 0.397 32.259 31.700 0.270 0.000 0.795 201 W N 5.709 127.104 121.300 0.158 0.000 2.314 201 W HA 0.507 5.165 4.660 -0.003 0.000 0.310 201 W C -1.653 174.872 176.519 0.010 0.000 1.075 201 W CA -0.832 56.581 57.345 0.113 0.000 1.253 201 W CB 0.683 30.246 29.460 0.173 0.000 1.238 201 W HN 0.106 nan 8.180 nan 0.000 0.440 202 V N 5.322 125.354 119.914 0.197 0.000 2.969 202 V HA 0.530 4.648 4.120 -0.003 0.000 0.304 202 V C -0.695 175.373 176.094 -0.044 0.000 1.192 202 V CA -0.605 61.600 62.300 -0.158 0.000 0.962 202 V CB 2.451 34.077 31.823 -0.328 0.000 1.045 202 V HN 0.480 nan 8.190 nan 0.000 0.428 203 T N 1.569 116.056 114.554 -0.111 0.000 2.906 203 T HA 0.496 4.844 4.350 -0.003 0.000 0.295 203 T C 0.588 175.257 174.700 -0.051 0.000 1.061 203 T CA 0.254 62.328 62.100 -0.043 0.000 1.000 203 T CB 1.919 70.763 68.868 -0.040 0.000 1.103 203 T HN 0.688 nan 8.240 nan 0.000 0.486 204 S N 1.888 117.577 115.700 -0.019 0.000 2.511 204 S HA 0.246 4.714 4.470 -0.003 0.000 0.214 204 S C 0.675 175.271 174.600 -0.006 0.000 0.997 204 S CA -0.303 57.890 58.200 -0.013 0.000 0.908 204 S CB -0.012 63.188 63.200 -0.000 0.000 0.803 204 S HN 0.635 nan 8.310 nan 0.000 0.504 205 K N 2.821 123.215 120.400 -0.010 0.000 2.397 205 K HA 0.144 4.462 4.320 -0.003 0.000 0.265 205 K C -2.493 174.105 176.600 -0.003 0.000 0.982 205 K CA -1.161 55.121 56.287 -0.008 0.000 0.931 205 K CB -0.118 32.372 32.500 -0.018 0.000 0.943 205 K HN 0.115 nan 8.250 nan 0.000 0.501 206 P HA 0.013 nan 4.420 nan 0.000 0.275 206 P C -0.448 176.858 177.300 0.011 0.000 1.228 206 P CA -0.170 62.960 63.100 0.049 0.000 0.786 206 P CB 0.543 32.284 31.700 0.069 0.000 0.927 207 L N 4.312 125.545 121.223 0.017 0.000 2.499 207 L HA 0.095 4.433 4.340 -0.003 0.000 0.273 207 L C -1.740 175.074 176.870 -0.093 0.000 1.195 207 L CA -1.372 53.364 54.840 -0.172 0.000 0.882 207 L CB 0.058 41.800 42.059 -0.529 0.000 1.133 207 L HN 0.296 nan 8.230 nan 0.000 0.483 208 P HA 0.017 nan 4.420 nan 0.000 0.271 208 P C 0.181 177.364 177.300 -0.194 0.000 1.244 208 P CA -0.264 62.631 63.100 -0.342 0.000 0.793 208 P CB 0.558 31.669 31.700 -0.983 0.000 0.984 209 E N -0.273 119.875 120.200 -0.085 0.000 2.106 209 E HA -0.193 4.155 4.350 -0.003 0.000 0.192 209 E C 1.519 178.141 176.600 0.037 0.000 0.984 209 E CA 1.184 57.624 56.400 0.067 0.000 0.806 209 E CB -0.460 29.298 29.700 0.097 0.000 0.750 209 E HN 0.617 nan 8.360 nan 0.000 0.458 210 Y N -0.981 119.343 120.300 0.039 0.000 2.632 210 Y HA 0.122 4.670 4.550 -0.003 0.000 0.301 210 Y C 1.446 177.323 175.900 -0.038 0.000 1.172 210 Y CA 0.282 58.373 58.100 -0.015 0.000 1.328 210 Y CB -0.230 38.188 38.460 -0.071 0.000 1.016 210 Y HN -0.064 nan 8.280 nan 0.000 0.529 211 L N -2.447 118.616 121.223 -0.267 0.000 2.642 211 L HA 0.160 4.498 4.340 -0.003 0.000 0.233 211 L C 1.343 178.105 176.870 -0.180 0.000 1.077 211 L CA -0.022 54.681 54.840 -0.228 0.000 0.879 211 L CB -0.078 41.751 42.059 -0.383 0.000 1.151 211 L HN 0.247 nan 8.230 nan 0.000 0.495 212 W N 1.685 122.913 121.300 -0.119 0.000 2.595 212 W HA -0.105 4.553 4.660 -0.003 0.000 0.257 212 W C 2.578 179.074 176.519 -0.038 0.000 1.267 212 W CA 0.567 57.869 57.345 -0.072 0.000 1.300 212 W CB 0.351 29.769 29.460 -0.071 0.000 1.120 212 W HN 0.018 nan 8.180 nan 0.000 0.618 213 K N 1.229 121.736 120.400 0.179 0.000 2.228 213 K HA -0.121 4.197 4.320 -0.003 0.000 0.202 213 K C 1.483 178.131 176.600 0.080 0.000 1.051 213 K CA 1.190 57.548 56.287 0.119 0.000 0.960 213 K CB -0.511 32.046 32.500 0.094 0.000 0.743 213 K HN 0.062 nan 8.250 nan 0.000 0.458 214 K N 1.298 121.724 120.400 0.044 0.000 2.555 214 K HA 0.054 4.372 4.320 -0.003 0.000 0.193 214 K C -0.092 176.523 176.600 0.024 0.000 1.032 214 K CA 0.233 56.527 56.287 0.012 0.000 1.004 214 K CB -0.067 32.413 32.500 -0.034 0.000 0.804 214 K HN 0.300 nan 8.250 nan 0.000 0.496 215 I N 0.036 120.649 120.570 0.071 0.000 2.537 215 I HA 0.195 4.364 4.170 -0.003 0.000 0.276 215 I C 0.350 176.556 176.117 0.150 0.000 1.063 215 I CA -0.419 60.948 61.300 0.112 0.000 1.144 215 I CB 1.730 39.800 38.000 0.117 0.000 1.252 215 I HN -0.240 nan 8.210 nan 0.000 0.480 216 A N 4.563 127.447 122.820 0.107 0.000 2.327 216 A HA 0.123 4.441 4.320 -0.003 0.000 0.228 216 A C 1.132 178.766 177.584 0.083 0.000 1.275 216 A CA 0.381 52.472 52.037 0.089 0.000 0.875 216 A CB -0.523 18.515 19.000 0.065 0.000 0.925 216 A HN 0.823 nan 8.150 nan 0.000 0.493 217 N N -1.680 117.081 118.700 0.102 0.000 1.938 217 N HA -0.059 4.679 4.740 -0.003 0.000 0.225 217 N C 0.005 175.565 175.510 0.084 0.000 1.400 217 N CA 0.334 53.436 53.050 0.086 0.000 0.772 217 N CB -0.871 37.675 38.487 0.098 0.000 1.124 217 N HN 0.362 nan 8.380 nan 0.000 0.513 218 N N 0.265 119.038 118.700 0.121 0.000 2.735 218 N HA -0.210 4.528 4.740 -0.003 0.000 0.248 218 N C -1.244 174.299 175.510 0.055 0.000 1.083 218 N CA 0.860 53.987 53.050 0.127 0.000 0.703 218 N CB -1.396 37.148 38.487 0.094 0.000 1.005 218 N HN 0.595 nan 8.380 nan 0.000 0.550 219 C N 1.153 120.471 119.300 0.031 0.000 2.607 219 C HA 0.701 5.159 4.460 -0.003 0.000 0.350 219 C C -0.331 174.597 174.990 -0.102 0.000 1.101 219 C CA -0.821 58.145 59.018 -0.085 0.000 1.282 219 C CB 0.692 28.358 27.740 -0.124 0.000 1.825 219 C HN 0.284 nan 8.230 nan 0.000 0.460 220 I N 4.482 124.937 120.570 -0.192 0.000 2.562 220 I HA 0.574 4.742 4.170 -0.003 0.000 0.301 220 I C -0.820 175.135 176.117 -0.271 0.000 1.003 220 I CA -0.492 60.751 61.300 -0.094 0.000 1.127 220 I CB 1.730 39.685 38.000 -0.075 0.000 1.304 220 I HN 0.530 nan 8.210 nan 0.000 0.446 221 F N 6.080 125.986 119.950 -0.072 0.000 2.388 221 F HA 0.468 4.993 4.527 -0.003 0.000 0.358 221 F C -0.061 175.672 175.800 -0.111 0.000 1.122 221 F CA -0.593 57.358 58.000 -0.081 0.000 1.056 221 F CB 0.816 39.771 39.000 -0.076 0.000 1.155 221 F HN -0.004 nan 8.300 nan 0.000 0.461 222 I N 3.713 124.274 120.570 -0.015 0.000 2.648 222 I HA 0.509 4.678 4.170 -0.003 0.000 0.304 222 I C -0.339 175.735 176.117 -0.071 0.000 1.009 222 I CA -1.178 60.082 61.300 -0.066 0.000 1.114 222 I CB 1.772 39.710 38.000 -0.103 0.000 1.293 222 I HN 0.136 nan 8.210 nan 0.000 0.449 223 V N 5.628 125.485 119.914 -0.095 0.000 2.380 223 V HA 0.390 4.508 4.120 -0.003 0.000 0.272 223 V C 0.120 176.266 176.094 0.086 0.000 1.011 223 V CA -0.464 61.812 62.300 -0.039 0.000 0.826 223 V CB 0.962 32.725 31.823 -0.100 0.000 1.040 223 V HN 0.459 nan 8.190 nan 0.000 0.441 224 I N 3.547 124.084 120.570 -0.054 0.000 2.575 224 I HA 0.365 4.534 4.170 -0.003 0.000 0.285 224 I C 0.247 176.376 176.117 0.020 0.000 1.085 224 I CA 0.223 61.453 61.300 -0.116 0.000 1.403 224 I CB 0.521 38.184 38.000 -0.561 0.000 1.409 224 I HN 0.545 nan 8.210 nan 0.000 0.557 225 H N 4.697 123.691 119.070 -0.126 0.000 2.797 225 H HA 0.681 5.235 4.556 -0.003 0.000 0.372 225 H C -0.796 174.507 175.328 -0.042 0.000 1.168 225 H CA -0.804 55.216 56.048 -0.047 0.000 1.163 225 H CB 1.507 31.259 29.762 -0.016 0.000 1.778 225 H HN 0.263 nan 8.280 nan 0.000 0.551 226 R N 1.275 121.824 120.500 0.082 0.000 2.658 226 R HA 0.171 4.509 4.340 -0.003 0.000 0.287 226 R C 0.331 176.664 176.300 0.055 0.000 1.209 226 R CA 0.321 56.456 56.100 0.058 0.000 1.046 226 R CB 0.976 31.297 30.300 0.036 0.000 1.247 226 R HN 1.052 nan 8.270 nan 0.000 0.405 227 S N 1.317 117.056 115.700 0.065 0.000 4.157 227 S HA -0.372 4.097 4.470 -0.003 0.000 0.538 227 S C 1.405 176.036 174.600 0.053 0.000 1.384 227 S CA 2.353 60.587 58.200 0.056 0.000 3.765 227 S CB -1.314 61.913 63.200 0.045 0.000 1.819 227 S HN 0.547 nan 8.310 nan 0.000 0.455 228 T N 3.698 118.271 114.554 0.032 0.000 2.697 228 T HA 0.232 4.580 4.350 -0.003 0.000 0.244 228 T C 1.274 175.967 174.700 -0.011 0.000 1.090 228 T CA 1.613 63.724 62.100 0.018 0.000 1.255 228 T CB -1.102 67.774 68.868 0.013 0.000 0.931 228 T HN 1.185 nan 8.240 nan 0.000 0.406 229 T N 1.995 116.537 114.554 -0.021 0.000 2.855 229 T HA 0.406 4.755 4.350 -0.003 0.000 0.314 229 T C -0.295 174.339 174.700 -0.110 0.000 1.077 229 T CA -0.636 61.433 62.100 -0.051 0.000 1.095 229 T CB 0.475 69.328 68.868 -0.026 0.000 0.987 229 T HN 0.495 nan 8.240 nan 0.000 0.546 230 S N 0.352 115.957 115.700 -0.158 0.000 2.550 230 S HA 0.368 4.837 4.470 -0.003 0.000 0.274 230 S C -1.139 173.363 174.600 -0.162 0.000 1.110 230 S CA -1.113 56.919 58.200 -0.279 0.000 1.013 230 S CB 1.267 63.975 63.200 -0.819 0.000 1.152 230 S HN 0.832 nan 8.310 nan 0.000 0.450 231 Q N 1.332 121.097 119.800 -0.057 0.000 2.212 231 Q HA 0.721 5.060 4.340 -0.003 0.000 0.238 231 Q C -0.611 175.386 176.000 -0.006 0.000 0.955 231 Q CA -0.001 55.801 55.803 -0.001 0.000 0.906 231 Q CB 1.259 30.039 28.738 0.069 0.000 1.215 231 Q HN 0.765 nan 8.270 nan 0.000 0.478 232 T N 2.321 116.886 114.554 0.019 0.000 2.771 232 T HA 0.602 4.950 4.350 -0.003 0.000 0.281 232 T C -0.734 173.986 174.700 0.033 0.000 0.982 232 T CA -0.402 61.719 62.100 0.035 0.000 0.978 232 T CB 0.405 69.324 68.868 0.084 0.000 0.930 232 T HN 0.355 nan 8.240 nan 0.000 0.447 233 I N 2.891 123.456 120.570 -0.008 0.000 2.378 233 I HA 0.361 4.529 4.170 -0.003 0.000 0.291 233 I C 0.245 176.278 176.117 -0.141 0.000 0.992 233 I CA -0.664 60.609 61.300 -0.045 0.000 1.154 233 I CB 1.608 39.581 38.000 -0.046 0.000 1.315 233 I HN 0.357 nan 8.210 nan 0.000 0.448 234 K N 4.219 124.513 120.400 -0.177 0.000 2.276 234 K HA 0.640 4.958 4.320 -0.003 0.000 0.283 234 K C -1.190 175.270 176.600 -0.233 0.000 1.044 234 K CA -0.100 55.992 56.287 -0.325 0.000 0.944 234 K CB 0.846 33.192 32.500 -0.256 0.000 1.012 234 K HN 0.365 nan 8.250 nan 0.000 0.472 235 V N 2.510 122.259 119.914 -0.276 0.000 2.612 235 V HA 0.172 4.291 4.120 -0.003 0.000 0.301 235 V C -0.525 175.486 176.094 -0.138 0.000 1.059 235 V CA -0.938 61.264 62.300 -0.163 0.000 0.886 235 V CB 1.851 33.591 31.823 -0.138 0.000 1.007 235 V HN 0.832 nan 8.190 nan 0.000 0.426 236 S N 5.918 121.573 115.700 -0.076 0.000 2.565 236 S HA 0.337 4.805 4.470 -0.003 0.000 0.276 236 S C -1.348 173.247 174.600 -0.008 0.000 1.326 236 S CA -0.936 57.246 58.200 -0.029 0.000 1.045 236 S CB 1.386 64.586 63.200 -0.001 0.000 0.918 236 S HN 0.591 nan 8.310 nan 0.000 0.505 237 P HA -0.068 nan 4.420 nan 0.000 0.219 237 P C 0.453 177.775 177.300 0.036 0.000 1.146 237 P CA 1.134 64.234 63.100 0.000 0.000 0.808 237 P CB 0.046 31.741 31.700 -0.007 0.000 0.779 238 D N -1.140 119.301 120.400 0.069 0.000 2.355 238 D HA -0.016 4.623 4.640 -0.003 0.000 0.218 238 D C 0.291 176.623 176.300 0.054 0.000 1.004 238 D CA 0.417 54.460 54.000 0.072 0.000 0.880 238 D CB -0.101 40.748 40.800 0.082 0.000 0.911 238 D HN 0.200 nan 8.370 nan 0.000 0.528 239 D N 0.677 121.099 120.400 0.035 0.000 2.319 239 D HA 0.037 4.675 4.640 -0.003 0.000 0.235 239 D C 0.232 176.562 176.300 0.050 0.000 1.304 239 D CA 0.895 54.913 54.000 0.029 0.000 0.894 239 D CB 0.624 41.425 40.800 0.002 0.000 1.183 239 D HN -0.193 nan 8.370 nan 0.000 0.472 240 T N -0.553 114.031 114.554 0.050 0.000 2.916 240 T HA 0.312 4.661 4.350 -0.003 0.000 0.305 240 T C -1.928 172.805 174.700 0.054 0.000 1.119 240 T CA -1.316 60.832 62.100 0.080 0.000 1.008 240 T CB 1.909 70.828 68.868 0.084 0.000 1.129 240 T HN 0.019 nan 8.240 nan 0.000 0.480 241 P HA -0.162 nan 4.420 nan 0.000 0.217 241 P C 1.532 178.855 177.300 0.039 0.000 1.158 241 P CA 1.597 64.704 63.100 0.012 0.000 0.887 241 P CB -0.050 31.673 31.700 0.037 0.000 0.792 242 G N -0.320 108.521 108.800 0.069 0.000 2.446 242 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.217 242 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.217 242 G C 1.664 176.612 174.900 0.080 0.000 1.168 242 G CA 1.053 46.203 45.100 0.083 0.000 0.771 242 G HN 0.381 nan 8.290 nan 0.000 0.551 243 A N 0.952 123.809 122.820 0.062 0.000 2.015 243 A HA 0.089 4.407 4.320 -0.003 0.000 0.219 243 A C 2.278 179.887 177.584 0.042 0.000 1.163 243 A CA 1.323 53.392 52.037 0.054 0.000 0.646 243 A CB -0.409 18.617 19.000 0.043 0.000 0.806 243 A HN 0.798 nan 8.150 nan 0.000 0.448 244 I N -4.005 116.576 120.570 0.019 0.000 3.875 244 I HA 0.241 4.409 4.170 -0.003 0.000 0.329 244 I C 1.096 177.199 176.117 -0.023 0.000 1.295 244 I CA 0.265 61.556 61.300 -0.015 0.000 1.129 244 I CB 0.049 38.013 38.000 -0.060 0.000 1.008 244 I HN 0.091 nan 8.210 nan 0.000 0.413 245 L N 0.035 121.282 121.223 0.040 0.000 2.463 245 L HA 0.171 4.509 4.340 -0.003 0.000 0.219 245 L C 2.487 179.489 176.870 0.220 0.000 1.088 245 L CA 0.490 55.393 54.840 0.104 0.000 0.849 245 L CB -0.336 41.858 42.059 0.225 0.000 1.012 245 L HN 0.244 nan 8.230 nan 0.000 0.468 246 Q N 0.122 120.023 119.800 0.167 0.000 2.297 246 Q HA -0.095 4.244 4.340 -0.003 0.000 0.204 246 Q C 1.652 177.719 176.000 0.113 0.000 0.962 246 Q CA 1.375 57.272 55.803 0.156 0.000 0.879 246 Q CB 0.245 29.047 28.738 0.106 0.000 0.947 246 Q HN 0.503 nan 8.270 nan 0.000 0.462 247 S N -1.085 114.665 115.700 0.084 0.000 2.583 247 S HA 0.105 4.574 4.470 -0.003 0.000 0.239 247 S C 0.490 175.141 174.600 0.084 0.000 0.966 247 S CA -0.584 57.650 58.200 0.056 0.000 0.973 247 S CB 0.182 63.396 63.200 0.024 0.000 0.794 247 S HN 0.346 nan 8.310 nan 0.000 0.463 248 F N 0.838 120.706 119.950 -0.137 0.000 2.423 248 F HA 0.460 4.986 4.527 -0.003 0.000 0.269 248 F C 1.119 176.769 175.800 -0.249 0.000 0.880 248 F CA -0.636 57.200 58.000 -0.273 0.000 1.134 248 F CB -0.323 38.381 39.000 -0.494 0.000 1.143 248 F HN 0.185 nan 8.300 nan 0.000 0.802 249 F N 1.188 121.062 119.950 -0.128 0.000 2.146 249 F HA -0.141 4.385 4.527 -0.002 0.000 0.298 249 F C 2.321 178.034 175.800 -0.144 0.000 1.096 249 F CA 1.849 59.719 58.000 -0.218 0.000 1.275 249 F CB -0.994 37.976 39.000 -0.050 0.000 1.008 249 F HN -0.068 nan 8.300 nan 0.000 0.480 250 T N -1.012 113.611 114.554 0.116 0.000 2.915 250 T HA -0.155 4.193 4.350 -0.003 0.000 0.269 250 T C 1.451 176.148 174.700 -0.005 0.000 1.071 250 T CA 0.716 62.847 62.100 0.052 0.000 1.132 250 T CB -0.168 68.737 68.868 0.062 0.000 0.878 250 T HN 0.020 nan 8.240 nan 0.000 0.479 251 K N 0.374 120.749 120.400 -0.040 0.000 3.192 251 K HA 0.344 4.662 4.320 -0.003 0.000 0.269 251 K C 0.152 176.677 176.600 -0.124 0.000 1.270 251 K CA 0.018 56.268 56.287 -0.062 0.000 1.249 251 K CB -0.070 32.410 32.500 -0.034 0.000 1.528 251 K HN 0.232 nan 8.250 nan 0.000 0.360 252 M N -0.737 118.795 119.600 -0.113 0.000 1.683 252 M HA 0.159 4.637 4.480 -0.003 0.000 0.174 252 M C -0.461 175.796 176.300 -0.071 0.000 1.455 252 M CA 0.851 56.074 55.300 -0.129 0.000 0.811 252 M CB 0.345 32.814 32.600 -0.217 0.000 1.593 252 M HN 0.211 nan 8.290 nan 0.000 0.606 268 Q N 1.093 120.864 119.800 -0.047 0.000 2.225 268 Q HA 0.039 4.377 4.340 -0.003 0.000 0.222 268 Q C -0.594 175.466 176.000 0.100 0.000 0.887 268 Q CA 0.762 56.608 55.803 0.072 0.000 0.958 268 Q CB 0.306 29.082 28.738 0.064 0.000 1.058 268 Q HN 0.311 nan 8.270 nan 0.000 0.459 269 D N -1.245 119.188 120.400 0.054 0.000 2.463 269 D HA 0.147 4.786 4.640 -0.003 0.000 0.224 269 D C -0.119 176.133 176.300 -0.079 0.000 1.174 269 D CA -0.248 53.737 54.000 -0.026 0.000 0.829 269 D CB -0.116 40.623 40.800 -0.102 0.000 0.993 269 D HN -0.036 nan 8.370 nan 0.000 0.497 270 F N -0.071 119.939 119.950 0.100 0.000 2.377 270 F HA 0.642 5.168 4.527 -0.002 0.000 0.335 270 F C 0.278 176.142 175.800 0.107 0.000 1.099 270 F CA -0.948 57.128 58.000 0.128 0.000 1.072 270 F CB 1.394 40.530 39.000 0.227 0.000 1.417 270 F HN -0.225 nan 8.300 nan 0.000 0.495 271 V N 1.442 121.574 119.914 0.363 0.000 3.077 271 V HA 0.281 4.399 4.120 -0.003 0.000 0.299 271 V C -1.184 174.997 176.094 0.145 0.000 1.276 271 V CA -0.950 61.476 62.300 0.210 0.000 0.993 271 V CB 2.418 34.347 31.823 0.177 0.000 1.076 271 V HN 0.414 nan 8.190 nan 0.000 0.434 272 L N 5.431 126.694 121.223 0.066 0.000 2.356 272 L HA 0.499 4.838 4.340 -0.003 0.000 0.282 272 L C 0.516 177.349 176.870 -0.061 0.000 1.132 272 L CA 0.006 54.823 54.840 -0.039 0.000 0.923 272 L CB 0.400 42.392 42.059 -0.111 0.000 1.278 272 L HN 0.567 nan 8.230 nan 0.000 0.436 273 R N 1.735 122.158 120.500 -0.128 0.000 2.532 273 R HA 0.543 4.882 4.340 -0.003 0.000 0.272 273 R C -0.734 175.352 176.300 -0.358 0.000 1.032 273 R CA -0.617 55.240 56.100 -0.405 0.000 1.089 273 R CB 1.763 31.770 30.300 -0.489 0.000 1.098 273 R HN 0.251 nan 8.270 nan 0.000 0.526 274 V N 2.634 122.266 119.914 -0.471 0.000 2.567 274 V HA 0.127 4.245 4.120 -0.003 0.000 0.289 274 V C 0.098 175.983 176.094 -0.349 0.000 1.049 274 V CA -0.714 61.341 62.300 -0.409 0.000 0.969 274 V CB 1.454 32.864 31.823 -0.689 0.000 0.995 274 V HN 0.872 nan 8.190 nan 0.000 0.471 275 C N 4.668 123.825 119.300 -0.238 0.000 2.638 275 C HA 0.478 4.936 4.460 -0.003 0.000 0.410 275 C C 1.581 176.457 174.990 -0.191 0.000 1.404 275 C CA 0.971 59.865 59.018 -0.206 0.000 1.651 275 C CB -1.174 26.448 27.740 -0.198 0.000 2.495 275 C HN 1.308 nan 8.230 nan 0.000 0.606 276 G N 4.037 112.725 108.800 -0.188 0.000 2.279 276 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.223 276 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.223 276 G C 0.121 174.899 174.900 -0.204 0.000 1.015 276 G CA -0.002 45.003 45.100 -0.159 0.000 0.621 276 G HN 0.678 nan 8.290 nan 0.000 0.506 277 R N -0.142 120.180 120.500 -0.295 0.000 2.960 277 R HA 0.603 4.941 4.340 -0.003 0.000 0.249 277 R C -1.355 174.749 176.300 -0.326 0.000 1.192 277 R CA -0.796 55.110 56.100 -0.322 0.000 1.035 277 R CB 0.787 30.814 30.300 -0.455 0.000 1.234 277 R HN 0.039 nan 8.270 nan 0.000 0.493 278 D N 0.810 121.056 120.400 -0.256 0.000 2.973 278 D HA 0.156 4.794 4.640 -0.003 0.000 0.263 278 D C -1.220 175.009 176.300 -0.118 0.000 1.266 278 D CA 0.185 54.081 54.000 -0.174 0.000 0.975 278 D CB 0.362 41.133 40.800 -0.048 0.000 1.032 278 D HN 0.183 nan 8.370 nan 0.000 0.510 279 E N 0.630 120.591 120.200 -0.398 0.000 2.260 279 E HA 0.306 4.654 4.350 -0.003 0.000 0.266 279 E C -1.571 174.757 176.600 -0.454 0.000 0.887 279 E CA -0.678 55.547 56.400 -0.291 0.000 0.777 279 E CB 0.682 30.154 29.700 -0.380 0.000 1.205 279 E HN 0.077 nan 8.360 nan 0.000 0.414 280 Y N 2.556 122.735 120.300 -0.202 0.000 2.487 280 Y HA 0.521 5.069 4.550 -0.003 0.000 0.337 280 Y C -0.502 175.323 175.900 -0.124 0.000 1.076 280 Y CA -1.165 56.833 58.100 -0.170 0.000 1.115 280 Y CB 1.111 39.471 38.460 -0.166 0.000 1.235 280 Y HN 0.346 nan 8.280 nan 0.000 0.468 281 L N 4.081 125.242 121.223 -0.103 0.000 2.297 281 L HA 0.580 4.918 4.340 -0.003 0.000 0.277 281 L C -0.522 176.235 176.870 -0.188 0.000 1.040 281 L CA -0.507 54.033 54.840 -0.500 0.000 0.867 281 L CB 0.172 41.838 42.059 -0.655 0.000 1.244 281 L HN 0.495 nan 8.230 nan 0.000 0.433 282 V N -0.357 119.635 119.914 0.130 0.000 3.232 282 V HA 1.056 5.175 4.120 -0.003 0.000 0.303 282 V C 0.134 176.419 176.094 0.318 0.000 1.311 282 V CA -0.670 61.745 62.300 0.193 0.000 1.061 282 V CB 1.203 33.089 31.823 0.105 0.000 1.085 282 V HN 0.890 nan 8.190 nan 0.000 0.447 283 G N 0.896 109.809 108.800 0.188 0.000 2.733 283 G HA2 -0.028 3.930 3.960 -0.003 0.000 0.686 283 G HA3 -0.028 3.930 3.960 -0.003 0.000 0.686 283 G C -0.628 174.370 174.900 0.163 0.000 1.373 283 G CA -0.230 44.960 45.100 0.151 0.000 0.838 283 G HN 1.161 nan 8.290 nan 0.000 0.588 284 E N 1.373 121.635 120.200 0.104 0.000 1.795 284 E HA 0.381 4.729 4.350 -0.003 0.000 0.261 284 E C 0.297 176.943 176.600 0.078 0.000 1.238 284 E CA 0.560 57.015 56.400 0.092 0.000 1.001 284 E CB 0.031 29.769 29.700 0.063 0.000 1.065 284 E HN 0.612 nan 8.360 nan 0.000 0.418 285 T N 2.183 116.810 114.554 0.123 0.000 2.923 285 T HA 0.372 4.720 4.350 -0.003 0.000 0.311 285 T C -2.702 172.101 174.700 0.172 0.000 1.183 285 T CA -1.621 60.522 62.100 0.071 0.000 1.020 285 T CB 2.083 70.870 68.868 -0.134 0.000 1.165 285 T HN 0.037 nan 8.240 nan 0.000 0.482 286 P HA 0.220 nan 4.420 nan 0.000 0.269 286 P C 1.105 178.553 177.300 0.246 0.000 1.215 286 P CA -0.518 62.663 63.100 0.137 0.000 0.780 286 P CB 0.298 32.046 31.700 0.079 0.000 0.898 287 I N 1.239 121.927 120.570 0.197 0.000 2.493 287 I HA -0.198 3.970 4.170 -0.003 0.000 0.254 287 I C 2.011 178.208 176.117 0.133 0.000 1.160 287 I CA 1.293 62.718 61.300 0.208 0.000 1.445 287 I CB -0.936 37.078 38.000 0.023 0.000 1.086 287 I HN 0.258 nan 8.210 nan 0.000 0.433 288 K N 1.569 121.987 120.400 0.030 0.000 2.074 288 K HA -0.223 4.096 4.320 -0.003 0.000 0.209 288 K C 1.023 177.594 176.600 -0.049 0.000 1.048 288 K CA 2.221 58.461 56.287 -0.079 0.000 0.926 288 K CB -0.437 31.992 32.500 -0.117 0.000 0.713 288 K HN 0.324 nan 8.250 nan 0.000 0.444 289 N N -0.096 118.610 118.700 0.010 0.000 2.322 289 N HA 0.138 4.876 4.740 -0.003 0.000 0.216 289 N C -1.272 174.152 175.510 -0.143 0.000 1.144 289 N CA 0.128 53.139 53.050 -0.065 0.000 0.830 289 N CB 0.036 38.473 38.487 -0.083 0.000 1.034 289 N HN 0.091 nan 8.380 nan 0.000 0.484 290 F N 0.496 120.413 119.950 -0.055 0.000 2.436 290 F HA 0.279 4.804 4.527 -0.003 0.000 0.340 290 F C 1.649 177.380 175.800 -0.115 0.000 1.113 290 F CA -0.688 57.289 58.000 -0.038 0.000 1.022 290 F CB 1.707 40.721 39.000 0.023 0.000 1.128 290 F HN -0.122 nan 8.300 nan 0.000 0.466 291 Q N 3.349 123.093 119.800 -0.094 0.000 2.119 291 Q HA -0.233 4.105 4.340 -0.003 0.000 0.201 291 Q C 2.184 178.087 176.000 -0.161 0.000 0.972 291 Q CA 1.386 56.969 55.803 -0.367 0.000 0.847 291 Q CB -0.348 27.688 28.738 -1.169 0.000 0.903 291 Q HN 0.881 nan 8.270 nan 0.000 0.433 292 W N 0.879 122.096 121.300 -0.139 0.000 2.338 292 W HA -0.187 4.472 4.660 -0.002 0.000 0.304 292 W C 1.608 178.137 176.519 0.016 0.000 1.212 292 W CA 1.326 58.650 57.345 -0.035 0.000 1.264 292 W CB 0.140 29.611 29.460 0.018 0.000 1.142 292 W HN -0.060 nan 8.180 nan 0.000 0.512 293 V N 1.559 121.486 119.914 0.022 0.000 2.358 293 V HA -0.280 3.838 4.120 -0.003 0.000 0.246 293 V C 2.490 178.474 176.094 -0.184 0.000 1.047 293 V CA 2.045 64.284 62.300 -0.102 0.000 1.035 293 V CB -0.898 30.924 31.823 -0.002 0.000 0.658 293 V HN 0.136 nan 8.190 nan 0.000 0.452 294 R N -0.535 119.875 120.500 -0.151 0.000 2.148 294 R HA -0.170 4.169 4.340 -0.003 0.000 0.227 294 R C 2.286 178.474 176.300 -0.188 0.000 1.103 294 R CA 1.624 57.615 56.100 -0.181 0.000 0.983 294 R CB -0.478 29.721 30.300 -0.167 0.000 0.874 294 R HN 0.731 nan 8.270 nan 0.000 0.451 295 H N -0.157 118.726 119.070 -0.311 0.000 2.395 295 H HA -0.044 4.510 4.556 -0.003 0.000 0.299 295 H C 1.833 176.937 175.328 -0.373 0.000 1.070 295 H CA 1.634 57.484 56.048 -0.331 0.000 1.356 295 H CB -0.094 29.433 29.762 -0.393 0.000 1.401 295 H HN 0.105 nan 8.280 nan 0.000 0.524 296 C N 0.237 119.189 119.300 -0.579 0.000 2.466 296 C HA 0.010 4.468 4.460 -0.003 0.000 0.278 296 C C 2.822 177.605 174.990 -0.345 0.000 1.288 296 C CA 0.619 59.321 59.018 -0.527 0.000 1.722 296 C CB -1.006 26.466 27.740 -0.447 0.000 2.017 296 C HN 0.558 nan 8.230 nan 0.000 0.488 297 L N 0.930 121.989 121.223 -0.273 0.000 2.131 297 L HA -0.135 4.203 4.340 -0.003 0.000 0.210 297 L C 2.660 179.423 176.870 -0.179 0.000 1.092 297 L CA 1.344 56.065 54.840 -0.198 0.000 0.759 297 L CB -0.679 41.263 42.059 -0.196 0.000 0.903 297 L HN 0.341 nan 8.230 nan 0.000 0.435 298 K N -0.076 120.198 120.400 -0.209 0.000 2.439 298 K HA -0.074 4.245 4.320 -0.003 0.000 0.197 298 K C 1.243 177.736 176.600 -0.179 0.000 1.041 298 K CA 0.695 56.892 56.287 -0.151 0.000 0.970 298 K CB 0.149 32.575 32.500 -0.123 0.000 0.773 298 K HN 0.395 nan 8.250 nan 0.000 0.479 299 N N -0.835 117.716 118.700 -0.248 0.000 2.227 299 N HA 0.008 4.747 4.740 -0.003 0.000 0.196 299 N C 0.502 175.926 175.510 -0.144 0.000 1.142 299 N CA 0.773 53.690 53.050 -0.221 0.000 0.887 299 N CB 1.314 39.591 38.487 -0.351 0.000 1.022 299 N HN 0.309 nan 8.380 nan 0.000 0.500 300 G N 1.756 110.478 108.800 -0.131 0.000 2.143 300 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.249 300 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.249 300 G C -0.011 174.838 174.900 -0.085 0.000 0.981 300 G CA 0.217 45.263 45.100 -0.090 0.000 0.665 300 G HN 0.375 nan 8.290 nan 0.000 0.528 301 E N 0.352 120.479 120.200 -0.121 0.000 2.314 301 E HA 0.537 4.885 4.350 -0.003 0.000 0.262 301 E C 0.291 176.854 176.600 -0.061 0.000 1.093 301 E CA -0.394 55.955 56.400 -0.086 0.000 0.908 301 E CB 0.561 30.176 29.700 -0.141 0.000 1.091 301 E HN 0.581 nan 8.360 nan 0.000 0.425 302 E N 1.237 121.459 120.200 0.036 0.000 2.212 302 E HA 0.337 4.686 4.350 -0.003 0.000 0.268 302 E C -0.903 175.737 176.600 0.068 0.000 0.902 302 E CA -0.773 55.643 56.400 0.028 0.000 0.779 302 E CB 1.541 31.260 29.700 0.032 0.000 1.172 302 E HN 0.268 nan 8.360 nan 0.000 0.409 303 I N 3.031 123.574 120.570 -0.046 0.000 2.329 303 I HA 0.072 4.240 4.170 -0.003 0.000 0.295 303 I C -0.426 175.655 176.117 -0.060 0.000 1.109 303 I CA 0.138 61.448 61.300 0.016 0.000 1.297 303 I CB -0.454 37.540 38.000 -0.010 0.000 1.433 303 I HN 0.360 nan 8.210 nan 0.000 0.509 304 H N 4.452 123.579 119.070 0.095 0.000 2.467 304 H HA 0.705 5.260 4.556 -0.003 0.000 0.326 304 H C -0.621 174.658 175.328 -0.081 0.000 1.094 304 H CA -0.576 55.469 56.048 -0.005 0.000 1.253 304 H CB 1.433 31.150 29.762 -0.075 0.000 1.439 304 H HN 0.241 nan 8.280 nan 0.000 0.479 305 V N 3.964 123.839 119.914 -0.064 0.000 2.686 305 V HA 0.240 4.359 4.120 -0.003 0.000 0.306 305 V C -0.650 175.369 176.094 -0.126 0.000 1.065 305 V CA -0.777 61.456 62.300 -0.111 0.000 0.894 305 V CB 2.557 34.318 31.823 -0.104 0.000 1.004 305 V HN 0.502 nan 8.190 nan 0.000 0.424 306 V N 5.200 125.027 119.914 -0.144 0.000 2.732 306 V HA 0.611 4.729 4.120 -0.003 0.000 0.310 306 V C -0.620 175.435 176.094 -0.065 0.000 1.053 306 V CA -0.644 61.611 62.300 -0.075 0.000 0.957 306 V CB 1.945 33.720 31.823 -0.079 0.000 1.018 306 V HN 0.728 nan 8.190 nan 0.000 0.452 307 L N 5.954 127.160 121.223 -0.028 0.000 2.301 307 L HA 0.623 4.962 4.340 -0.003 0.000 0.278 307 L C -0.852 176.114 176.870 0.160 0.000 1.022 307 L CA 0.088 54.931 54.840 0.003 0.000 0.854 307 L CB 0.794 42.764 42.059 -0.149 0.000 1.226 307 L HN 0.876 nan 8.230 nan 0.000 0.429 308 D N 1.135 121.679 120.400 0.240 0.000 2.636 308 D HA 0.389 5.027 4.640 -0.003 0.000 0.275 308 D C -0.792 175.659 176.300 0.252 0.000 1.130 308 D CA -0.636 53.532 54.000 0.280 0.000 1.031 308 D CB 0.976 41.861 40.800 0.141 0.000 1.451 308 D HN 0.222 nan 8.370 nan 0.000 0.505 309 T N 1.358 115.985 114.554 0.121 0.000 2.851 309 T HA 0.424 4.772 4.350 -0.003 0.000 0.298 309 T C -2.214 172.513 174.700 0.044 0.000 0.977 309 T CA -0.623 61.477 62.100 0.000 0.000 1.126 309 T CB 0.522 69.351 68.868 -0.066 0.000 0.916 309 T HN 0.257 nan 8.240 nan 0.000 0.529 310 P HA 0.081 nan 4.420 nan 0.000 0.266 310 P C -2.251 175.031 177.300 -0.030 0.000 1.186 310 P CA -0.888 62.205 63.100 -0.012 0.000 0.767 310 P CB -0.378 31.289 31.700 -0.054 0.000 0.820 311 P HA 0.086 nan 4.420 nan 0.000 0.275 311 P C -0.481 176.782 177.300 -0.062 0.000 1.227 311 P CA 0.096 63.168 63.100 -0.048 0.000 0.781 311 P CB 0.565 32.227 31.700 -0.062 0.000 0.906 312 D N 3.409 123.786 120.400 -0.039 0.000 2.348 312 D HA 0.094 4.732 4.640 -0.003 0.000 0.253 312 D C -1.365 174.921 176.300 -0.023 0.000 1.161 312 D CA -1.848 52.132 54.000 -0.034 0.000 0.876 312 D CB 0.856 41.639 40.800 -0.029 0.000 1.160 312 D HN 0.125 nan 8.370 nan 0.000 0.459 313 P HA -0.141 nan 4.420 nan 0.000 0.220 313 P C 0.957 178.264 177.300 0.013 0.000 1.144 313 P CA 1.020 64.129 63.100 0.015 0.000 0.800 313 P CB 0.212 31.922 31.700 0.015 0.000 0.772 314 A N -0.321 122.495 122.820 -0.006 0.000 1.958 314 A HA -0.208 4.111 4.320 -0.003 0.000 0.221 314 A C 2.039 179.616 177.584 -0.011 0.000 1.178 314 A CA 1.620 53.650 52.037 -0.013 0.000 0.642 314 A CB -1.645 17.342 19.000 -0.021 0.000 0.816 314 A HN 0.204 nan 8.150 nan 0.000 0.453 315 L N -0.583 120.634 121.223 -0.010 0.000 2.465 315 L HA -0.060 4.278 4.340 -0.003 0.000 0.224 315 L C 0.903 177.777 176.870 0.007 0.000 1.145 315 L CA 0.636 55.468 54.840 -0.015 0.000 0.834 315 L CB -0.257 41.787 42.059 -0.026 0.000 0.944 315 L HN 0.286 nan 8.230 nan 0.000 0.451 316 D N -0.044 120.380 120.400 0.039 0.000 2.328 316 D HA -0.029 4.609 4.640 -0.003 0.000 0.221 316 D C 0.642 176.975 176.300 0.055 0.000 1.072 316 D CA 0.180 54.237 54.000 0.095 0.000 0.850 316 D CB 0.264 41.199 40.800 0.225 0.000 0.922 316 D HN 0.362 nan 8.370 nan 0.000 0.516 317 E N 1.417 121.624 120.200 0.011 0.000 2.366 317 E HA 0.079 4.427 4.350 -0.003 0.000 0.266 317 E C -0.430 176.151 176.600 -0.032 0.000 1.015 317 E CA -0.109 56.281 56.400 -0.018 0.000 0.906 317 E CB 1.037 30.718 29.700 -0.031 0.000 0.979 317 E HN -0.195 nan 8.360 nan 0.000 0.443 318 V N 5.514 125.401 119.914 -0.045 0.000 2.546 318 V HA 0.175 4.293 4.120 -0.003 0.000 0.284 318 V C 0.737 176.776 176.094 -0.092 0.000 1.050 318 V CA -0.336 61.931 62.300 -0.056 0.000 0.981 318 V CB 1.164 32.955 31.823 -0.054 0.000 0.990 318 V HN 0.704 nan 8.190 nan 0.000 0.474 319 R N 4.283 124.693 120.500 -0.151 0.000 2.615 319 R HA 0.283 4.621 4.340 -0.003 0.000 0.270 319 R C -0.182 176.021 176.300 -0.162 0.000 1.081 319 R CA -0.608 55.362 56.100 -0.216 0.000 1.154 319 R CB 0.561 30.602 30.300 -0.432 0.000 1.063 319 R HN 0.590 nan 8.270 nan 0.000 0.519 320 K N 2.456 122.774 120.400 -0.137 0.000 2.451 320 K HA -0.005 4.314 4.320 -0.003 0.000 0.280 320 K C -0.169 176.385 176.600 -0.076 0.000 1.020 320 K CA 0.427 56.662 56.287 -0.088 0.000 1.008 320 K CB 0.649 33.106 32.500 -0.071 0.000 0.917 320 K HN 0.596 nan 8.250 nan 0.000 0.478 321 E N 1.400 121.578 120.200 -0.036 0.000 2.561 321 E HA 0.404 4.753 4.350 -0.003 0.000 0.254 321 E C 0.213 176.818 176.600 0.008 0.000 1.213 321 E CA -0.434 55.966 56.400 -0.000 0.000 0.995 321 E CB 0.950 30.658 29.700 0.013 0.000 1.233 321 E HN 0.707 nan 8.360 nan 0.000 0.556 358 D N 1.500 121.925 120.400 0.042 0.000 2.328 358 D HA 0.099 4.737 4.640 -0.003 0.000 0.221 358 D C 0.756 177.074 176.300 0.029 0.000 1.072 358 D CA 0.243 54.262 54.000 0.031 0.000 0.850 358 D CB 0.080 40.892 40.800 0.020 0.000 0.922 358 D HN 0.463 nan 8.370 nan 0.000 0.516 359 R N 1.738 122.257 120.500 0.031 0.000 2.570 359 R HA 0.054 4.392 4.340 -0.003 0.000 0.277 359 R C -0.102 176.223 176.300 0.042 0.000 1.039 359 R CA -0.031 56.080 56.100 0.018 0.000 1.065 359 R CB 0.193 30.496 30.300 0.005 0.000 0.964 359 R HN -0.204 nan 8.270 nan 0.000 0.428 360 K N 3.744 124.167 120.400 0.038 0.000 2.355 360 K HA 0.028 4.346 4.320 -0.003 0.000 0.270 360 K C -0.091 176.582 176.600 0.123 0.000 1.003 360 K CA -0.094 56.248 56.287 0.092 0.000 0.957 360 K CB 0.262 32.812 32.500 0.084 0.000 0.939 360 K HN 0.501 nan 8.250 nan 0.000 0.482 361 F N 3.403 123.390 119.950 0.061 0.000 2.506 361 F HA 0.103 4.628 4.527 -0.003 0.000 0.351 361 F C 0.294 176.201 175.800 0.179 0.000 1.136 361 F CA 0.178 58.216 58.000 0.062 0.000 1.298 361 F CB 0.545 39.526 39.000 -0.031 0.000 1.145 361 F HN 0.519 nan 8.300 nan 0.000 0.593 362 R N 4.386 124.358 120.500 -0.879 0.000 2.680 362 R HA 0.747 5.086 4.340 -0.003 0.000 0.269 362 R C -2.481 173.502 176.300 -0.527 0.000 1.026 362 R CA -1.159 54.657 56.100 -0.474 0.000 0.889 362 R CB 1.555 31.742 30.300 -0.187 0.000 1.241 362 R HN 0.645 nan 8.270 nan 0.000 0.463 363 V N 1.715 121.634 119.914 0.008 0.000 2.668 363 V HA 0.389 4.507 4.120 -0.003 0.000 0.304 363 V C -0.956 175.186 176.094 0.079 0.000 1.071 363 V CA -0.837 61.522 62.300 0.099 0.000 0.894 363 V CB 2.004 33.905 31.823 0.130 0.000 1.008 363 V HN 0.832 nan 8.190 nan 0.000 0.425 364 K N 6.683 126.879 120.400 -0.340 0.000 2.312 364 K HA 0.407 4.725 4.320 -0.003 0.000 0.287 364 K C -0.524 175.887 176.600 -0.315 0.000 1.062 364 K CA -0.622 55.228 56.287 -0.728 0.000 0.934 364 K CB 0.635 32.296 32.500 -1.398 0.000 1.027 364 K HN 0.622 nan 8.250 nan 0.000 0.478 365 I N 6.965 127.406 120.570 -0.216 0.000 2.256 365 I HA 0.098 4.266 4.170 -0.003 0.000 0.294 365 I C 1.432 177.522 176.117 -0.045 0.000 1.127 365 I CA -0.003 61.227 61.300 -0.116 0.000 1.247 365 I CB 0.240 38.144 38.000 -0.160 0.000 1.460 365 I HN 0.686 nan 8.210 nan 0.000 0.511 366 R N 3.708 124.171 120.500 -0.062 0.000 2.083 366 R HA 0.044 4.382 4.340 -0.003 0.000 0.237 366 R C 0.972 177.329 176.300 0.095 0.000 1.137 366 R CA 0.971 57.057 56.100 -0.023 0.000 0.951 366 R CB -0.012 30.256 30.300 -0.054 0.000 0.851 366 R HN 0.741 nan 8.270 nan 0.000 0.434 367 G N 0.175 109.061 108.800 0.144 0.000 2.328 367 G HA2 0.322 4.281 3.960 -0.003 0.000 0.299 367 G HA3 0.322 4.281 3.960 -0.003 0.000 0.299 367 G C -1.299 173.693 174.900 0.154 0.000 1.435 367 G CA -0.691 44.549 45.100 0.233 0.000 0.865 367 G HN 0.202 nan 8.290 nan 0.000 0.601 368 I N -2.276 118.401 120.570 0.178 0.000 2.910 368 I HA 0.941 5.110 4.170 -0.003 0.000 0.310 368 I C -1.244 174.882 176.117 0.016 0.000 1.043 368 I CA -0.954 60.392 61.300 0.076 0.000 1.053 368 I CB 2.762 40.838 38.000 0.127 0.000 1.242 368 I HN 0.511 nan 8.210 nan 0.000 0.452 369 D N 3.065 123.443 120.400 -0.038 0.000 2.871 369 D HA 0.438 5.076 4.640 -0.003 0.000 0.209 369 D C -1.989 174.270 176.300 -0.068 0.000 1.292 369 D CA -0.243 53.730 54.000 -0.044 0.000 0.869 369 D CB 3.026 43.792 40.800 -0.057 0.000 1.663 369 D HN 0.760 nan 8.370 nan 0.000 0.557 370 I N 4.140 124.682 120.570 -0.046 0.000 2.571 370 I HA 0.362 4.530 4.170 -0.003 0.000 0.289 370 I C -2.092 173.999 176.117 -0.043 0.000 1.115 370 I CA -2.176 59.094 61.300 -0.049 0.000 1.045 370 I CB 2.593 40.565 38.000 -0.047 0.000 1.238 370 I HN 0.090 nan 8.210 nan 0.000 0.424 371 P HA -0.099 nan 4.420 nan 0.000 0.215 371 P C -0.625 176.651 177.300 -0.039 0.000 1.157 371 P CA 1.229 64.312 63.100 -0.028 0.000 0.868 371 P CB -0.082 31.609 31.700 -0.014 0.000 0.788 372 V N -3.457 116.438 119.914 -0.031 0.000 2.668 372 V HA 0.299 4.418 4.120 -0.003 0.000 0.304 372 V C 0.488 176.566 176.094 -0.027 0.000 1.071 372 V CA -0.831 61.446 62.300 -0.039 0.000 0.894 372 V CB 1.431 33.242 31.823 -0.021 0.000 1.008 372 V HN -0.097 nan 8.190 nan 0.000 0.425 373 L N 1.177 122.354 121.223 -0.077 0.000 2.575 373 L HA 0.619 4.957 4.340 -0.003 0.000 0.228 373 L C -1.365 175.489 176.870 -0.028 0.000 1.075 373 L CA -0.303 54.502 54.840 -0.059 0.000 0.867 373 L CB -2.004 39.894 42.059 -0.268 0.000 1.097 373 L HN 0.489 nan 8.230 nan 0.000 0.485 374 P HA -0.044 nan 4.420 nan 0.000 0.263 374 P C -0.216 177.089 177.300 0.007 0.000 1.145 374 P CA 0.796 63.879 63.100 -0.028 0.000 0.755 374 P CB 0.539 32.226 31.700 -0.023 0.000 0.746 375 R N 2.094 122.602 120.500 0.012 0.000 3.815 375 R HA 0.369 4.707 4.340 -0.003 0.000 0.133 375 R C 1.042 177.356 176.300 0.024 0.000 1.740 375 R CA -0.265 55.853 56.100 0.031 0.000 1.270 375 R CB -0.025 30.307 30.300 0.054 0.000 1.340 375 R HN 0.288 nan 8.270 nan 0.000 0.449 376 N N -1.421 117.294 118.700 0.025 0.000 2.425 376 N HA 0.062 4.800 4.740 -0.003 0.000 0.317 376 N C -0.869 174.653 175.510 0.021 0.000 0.662 376 N CA 0.953 54.015 53.050 0.020 0.000 0.791 376 N CB 1.074 39.575 38.487 0.024 0.000 2.252 376 N HN 0.264 nan 8.380 nan 0.000 1.331 377 T N 1.889 116.463 114.554 0.033 0.000 2.918 377 T HA 0.329 4.677 4.350 -0.003 0.000 0.286 377 T C -0.815 173.915 174.700 0.050 0.000 1.026 377 T CA -0.758 61.364 62.100 0.037 0.000 1.031 377 T CB 2.072 70.965 68.868 0.042 0.000 1.046 377 T HN 0.123 nan 8.240 nan 0.000 0.479 378 D N 2.303 122.732 120.400 0.048 0.000 2.280 378 D HA 0.351 4.990 4.640 -0.003 0.000 0.243 378 D C -0.419 175.939 176.300 0.097 0.000 1.129 378 D CA -0.519 53.519 54.000 0.065 0.000 0.848 378 D CB 1.268 42.091 40.800 0.038 0.000 1.107 378 D HN 0.222 nan 8.370 nan 0.000 0.471 379 L N 0.976 122.289 121.223 0.151 0.000 2.293 379 L HA 0.424 4.763 4.340 -0.003 0.000 0.264 379 L C 0.565 177.548 176.870 0.188 0.000 1.029 379 L CA -0.690 54.244 54.840 0.156 0.000 0.897 379 L CB 2.171 44.326 42.059 0.160 0.000 1.497 379 L HN 0.490 nan 8.230 nan 0.000 0.495 380 T N -0.599 114.056 114.554 0.169 0.000 2.910 380 T HA 0.608 4.957 4.350 -0.003 0.000 0.279 380 T C -1.131 173.667 174.700 0.163 0.000 0.989 380 T CA -0.368 61.839 62.100 0.179 0.000 0.968 380 T CB 1.416 70.384 68.868 0.168 0.000 1.135 380 T HN 0.276 nan 8.240 nan 0.000 0.562 381 V N 2.512 122.539 119.914 0.189 0.000 2.924 381 V HA 0.649 4.768 4.120 -0.003 0.000 0.300 381 V C -1.475 174.830 176.094 0.353 0.000 1.227 381 V CA -0.784 61.569 62.300 0.088 0.000 0.954 381 V CB 1.693 33.383 31.823 -0.221 0.000 1.055 381 V HN 0.854 nan 8.190 nan 0.000 0.429 382 F N 4.001 124.043 119.950 0.154 0.000 2.650 382 F HA 0.950 5.475 4.527 -0.003 0.000 0.320 382 F C -1.243 174.521 175.800 -0.060 0.000 1.091 382 F CA -1.229 56.822 58.000 0.084 0.000 0.962 382 F CB 1.817 40.840 39.000 0.037 0.000 1.363 382 F HN 0.178 nan 8.300 nan 0.000 0.482 383 V N 1.325 121.166 119.914 -0.121 0.000 2.417 383 V HA 0.378 4.496 4.120 -0.003 0.000 0.291 383 V C -0.607 175.530 176.094 0.073 0.000 1.024 383 V CA -0.610 61.586 62.300 -0.172 0.000 0.861 383 V CB 1.313 32.883 31.823 -0.423 0.000 0.985 383 V HN 0.866 nan 8.190 nan 0.000 0.436 384 E N 3.032 123.330 120.200 0.164 0.000 2.191 384 E HA 0.732 5.081 4.350 -0.003 0.000 0.278 384 E C -0.670 176.026 176.600 0.159 0.000 0.972 384 E CA -0.609 55.935 56.400 0.240 0.000 0.804 384 E CB 1.681 31.635 29.700 0.423 0.000 1.110 384 E HN 0.838 nan 8.360 nan 0.000 0.394 385 A N 4.884 127.810 122.820 0.178 0.000 2.330 385 A HA 0.506 4.824 4.320 -0.003 0.000 0.313 385 A C -1.089 176.708 177.584 0.355 0.000 1.124 385 A CA -0.867 51.323 52.037 0.255 0.000 0.774 385 A CB 0.912 20.115 19.000 0.339 0.000 1.198 385 A HN 0.683 nan 8.150 nan 0.000 0.465 386 N N 2.573 121.407 118.700 0.224 0.000 2.346 386 N HA 0.326 5.064 4.740 -0.003 0.000 0.289 386 N C -1.022 174.479 175.510 -0.014 0.000 1.027 386 N CA -0.532 52.613 53.050 0.158 0.000 0.864 386 N CB 1.850 40.397 38.487 0.099 0.000 1.370 386 N HN 0.459 nan 8.380 nan 0.000 0.481 387 I N 1.761 122.253 120.570 -0.130 0.000 2.363 387 I HA 0.155 4.323 4.170 -0.003 0.000 0.292 387 I C 0.545 176.601 176.117 -0.103 0.000 1.075 387 I CA 0.276 61.418 61.300 -0.264 0.000 1.333 387 I CB -0.163 37.589 38.000 -0.414 0.000 1.415 387 I HN 0.343 nan 8.210 nan 0.000 0.502 388 Q N 5.309 125.059 119.800 -0.083 0.000 2.340 388 Q HA 0.364 4.702 4.340 -0.003 0.000 0.268 388 Q C -1.031 174.969 176.000 0.000 0.000 1.031 388 Q CA -0.567 55.218 55.803 -0.030 0.000 0.804 388 Q CB 2.418 31.133 28.738 -0.038 0.000 1.286 388 Q HN 0.558 nan 8.270 nan 0.000 0.448 389 H N 1.552 120.564 119.070 -0.098 0.000 2.970 389 H HA 0.244 4.798 4.556 -0.003 0.000 0.315 389 H C -0.138 175.094 175.328 -0.160 0.000 0.992 389 H CA 0.562 56.530 56.048 -0.134 0.000 1.363 389 H CB 1.248 30.939 29.762 -0.117 0.000 1.532 389 H HN 1.006 nan 8.280 nan 0.000 0.514 390 G N 5.425 114.001 108.800 -0.372 0.000 2.372 390 G HA2 -0.295 3.664 3.960 -0.003 0.000 0.297 390 G HA3 -0.295 3.664 3.960 -0.003 0.000 0.297 390 G C 0.382 175.164 174.900 -0.198 0.000 1.005 390 G CA 0.825 45.732 45.100 -0.322 0.000 1.173 390 G HN 0.879 nan 8.290 nan 0.000 0.511 391 Q N -2.293 117.430 119.800 -0.129 0.000 2.480 391 Q HA -0.240 4.098 4.340 -0.003 0.000 0.265 391 Q C 0.399 176.369 176.000 -0.050 0.000 1.072 391 Q CA 1.883 57.639 55.803 -0.078 0.000 1.018 391 Q CB -1.085 27.602 28.738 -0.085 0.000 1.433 391 Q HN 0.909 nan 8.270 nan 0.000 0.513 392 Q N 0.963 120.743 119.800 -0.034 0.000 2.363 392 Q HA 0.410 4.748 4.340 -0.003 0.000 0.265 392 Q C -0.209 175.804 176.000 0.022 0.000 1.032 392 Q CA -0.402 55.405 55.803 0.006 0.000 0.746 392 Q CB 1.732 30.494 28.738 0.039 0.000 1.237 392 Q HN 0.233 nan 8.270 nan 0.000 0.475 393 V N 2.846 122.773 119.914 0.021 0.000 2.529 393 V HA 0.087 4.205 4.120 -0.003 0.000 0.292 393 V C 0.776 176.891 176.094 0.035 0.000 1.028 393 V CA 0.252 62.570 62.300 0.030 0.000 1.074 393 V CB 0.238 32.085 31.823 0.040 0.000 0.958 393 V HN 0.871 nan 8.190 nan 0.000 0.481 394 L N 3.101 124.342 121.223 0.030 0.000 2.168 394 L HA 0.298 4.636 4.340 -0.003 0.000 0.203 394 L C 1.034 177.936 176.870 0.054 0.000 1.078 394 L CA 0.813 55.667 54.840 0.025 0.000 0.780 394 L CB 0.196 42.251 42.059 -0.007 0.000 0.939 394 L HN 0.768 nan 8.230 nan 0.000 0.451 395 C N -0.666 118.690 119.300 0.094 0.000 3.171 395 C HA 0.488 4.946 4.460 -0.003 0.000 0.336 395 C C -1.274 173.926 174.990 0.350 0.000 1.198 395 C CA -0.616 58.533 59.018 0.220 0.000 1.319 395 C CB 1.995 29.927 27.740 0.320 0.000 1.682 395 C HN 0.415 nan 8.230 nan 0.000 0.497 396 Q N 3.982 123.967 119.800 0.309 0.000 2.281 396 Q HA 0.588 4.926 4.340 -0.003 0.000 0.263 396 Q C -1.435 174.562 176.000 -0.006 0.000 0.989 396 Q CA -0.546 55.402 55.803 0.242 0.000 0.852 396 Q CB 1.341 30.157 28.738 0.130 0.000 1.337 396 Q HN 0.765 nan 8.270 nan 0.000 0.418 397 R N 2.535 122.939 120.500 -0.159 0.000 2.854 397 R HA 0.641 4.979 4.340 -0.003 0.000 0.271 397 R C -0.817 175.399 176.300 -0.141 0.000 0.994 397 R CA -0.817 55.108 56.100 -0.292 0.000 0.945 397 R CB 2.185 32.102 30.300 -0.638 0.000 1.194 397 R HN 0.655 nan 8.270 nan 0.000 0.476 398 R N -0.380 120.029 120.500 -0.150 0.000 2.854 398 R HA 0.385 4.724 4.340 -0.003 0.000 0.271 398 R C -0.197 176.003 176.300 -0.166 0.000 0.996 398 R CA -0.519 55.508 56.100 -0.122 0.000 0.961 398 R CB 2.067 32.243 30.300 -0.206 0.000 1.182 398 R HN 0.778 nan 8.270 nan 0.000 0.479 399 T N -1.163 113.274 114.554 -0.195 0.000 2.874 399 T HA 0.268 4.616 4.350 -0.003 0.000 0.281 399 T C 0.441 175.063 174.700 -0.130 0.000 0.994 399 T CA -0.824 61.104 62.100 -0.287 0.000 1.015 399 T CB 1.225 69.594 68.868 -0.831 0.000 1.028 399 T HN 0.608 nan 8.240 nan 0.000 0.523 400 S N 1.913 117.621 115.700 0.013 0.000 2.569 400 S HA 0.299 4.767 4.470 -0.003 0.000 0.274 400 S C -2.319 172.492 174.600 0.351 0.000 1.353 400 S CA -0.947 57.340 58.200 0.146 0.000 1.023 400 S CB -0.530 62.798 63.200 0.214 0.000 0.876 400 S HN 0.807 nan 8.310 nan 0.000 0.540 401 P HA 0.510 nan 4.420 nan 0.000 0.278 401 P C -0.981 176.525 177.300 0.342 0.000 1.258 401 P CA -0.717 62.622 63.100 0.398 0.000 0.811 401 P CB 0.687 32.539 31.700 0.252 0.000 1.063 402 K N 0.562 121.134 120.400 0.287 0.000 2.556 402 K HA 0.458 4.776 4.320 -0.003 0.000 0.274 402 K C -2.832 173.813 176.600 0.075 0.000 0.966 402 K CA -2.165 54.156 56.287 0.057 0.000 0.865 402 K CB 1.728 34.072 32.500 -0.261 0.000 1.444 402 K HN 0.207 nan 8.250 nan 0.000 0.433 403 P HA -0.025 nan 4.420 nan 0.000 0.264 403 P C -0.631 176.756 177.300 0.145 0.000 1.193 403 P CA -0.131 63.019 63.100 0.084 0.000 0.763 403 P CB 0.140 31.860 31.700 0.033 0.000 0.810 404 F N 4.990 124.947 119.950 0.011 0.000 2.679 404 F HA 0.110 4.635 4.527 -0.003 0.000 0.351 404 F C 0.508 176.302 175.800 -0.011 0.000 1.279 404 F CA -0.622 57.385 58.000 0.013 0.000 1.227 404 F CB -1.274 37.757 39.000 0.051 0.000 1.623 404 F HN 0.158 nan 8.300 nan 0.000 0.666 405 T N 0.128 114.714 114.554 0.053 0.000 2.824 405 T HA 0.246 4.594 4.350 -0.003 0.000 0.277 405 T C 1.032 175.652 174.700 -0.133 0.000 0.975 405 T CA -0.616 61.423 62.100 -0.102 0.000 0.966 405 T CB 0.992 69.819 68.868 -0.067 0.000 1.054 405 T HN 0.442 nan 8.240 nan 0.000 0.533 406 E N -0.024 120.085 120.200 -0.152 0.000 2.478 406 E HA 0.037 4.385 4.350 -0.003 0.000 0.198 406 E C 0.450 177.018 176.600 -0.053 0.000 1.046 406 E CA 0.501 56.827 56.400 -0.123 0.000 0.870 406 E CB 0.178 29.808 29.700 -0.116 0.000 0.818 406 E HN 0.672 nan 8.360 nan 0.000 0.527 407 E N 0.420 120.591 120.200 -0.048 0.000 2.281 407 E HA 0.259 4.607 4.350 -0.003 0.000 0.266 407 E C -1.670 174.881 176.600 -0.082 0.000 0.893 407 E CA -0.488 55.884 56.400 -0.047 0.000 0.798 407 E CB 1.553 31.219 29.700 -0.057 0.000 1.245 407 E HN -0.163 nan 8.360 nan 0.000 0.410 408 V N 5.857 125.707 119.914 -0.108 0.000 2.407 408 V HA 0.422 4.540 4.120 -0.003 0.000 0.291 408 V C -0.363 175.510 176.094 -0.367 0.000 1.018 408 V CA -0.678 61.431 62.300 -0.319 0.000 0.842 408 V CB 1.217 32.770 31.823 -0.450 0.000 0.996 408 V HN 0.615 nan 8.190 nan 0.000 0.426 409 L N 4.211 125.208 121.223 -0.377 0.000 2.305 409 L HA 0.464 4.802 4.340 -0.003 0.000 0.284 409 L C 0.446 177.159 176.870 -0.262 0.000 1.013 409 L CA -0.165 54.554 54.840 -0.202 0.000 0.819 409 L CB 1.822 43.812 42.059 -0.115 0.000 1.227 409 L HN 0.662 nan 8.230 nan 0.000 0.417 410 W N 0.811 122.087 121.300 -0.039 0.000 2.630 410 W HA 0.057 4.715 4.660 -0.003 0.000 0.275 410 W C 1.028 177.509 176.519 -0.065 0.000 1.192 410 W CA 0.071 57.393 57.345 -0.039 0.000 1.410 410 W CB 0.123 29.562 29.460 -0.035 0.000 1.075 410 W HN 0.795 nan 8.180 nan 0.000 0.581 411 N N 0.616 119.397 118.700 0.135 0.000 2.725 411 N HA -0.183 4.555 4.740 -0.003 0.000 0.251 411 N C -1.225 174.246 175.510 -0.065 0.000 1.031 411 N CA 0.437 53.474 53.050 -0.022 0.000 0.720 411 N CB -1.220 37.248 38.487 -0.031 0.000 0.930 411 N HN -0.242 nan 8.380 nan 0.000 0.543 412 V N 1.061 120.947 119.914 -0.047 0.000 2.459 412 V HA 0.418 4.536 4.120 -0.003 0.000 0.295 412 V C 0.280 176.286 176.094 -0.147 0.000 1.029 412 V CA -0.664 61.616 62.300 -0.034 0.000 0.874 412 V CB 0.934 32.786 31.823 0.049 0.000 0.985 412 V HN 0.282 nan 8.190 nan 0.000 0.438 413 W N 5.422 126.717 121.300 -0.009 0.000 2.311 413 W HA 0.507 5.165 4.660 -0.003 0.000 0.310 413 W C -0.133 176.345 176.519 -0.068 0.000 1.274 413 W CA -0.415 56.907 57.345 -0.038 0.000 1.215 413 W CB 0.699 30.135 29.460 -0.040 0.000 1.227 413 W HN 0.353 nan 8.180 nan 0.000 0.523 414 L N 3.809 125.140 121.223 0.180 0.000 2.264 414 L HA 0.252 4.591 4.340 -0.003 0.000 0.287 414 L C 0.191 177.069 176.870 0.013 0.000 1.039 414 L CA -0.606 54.234 54.840 0.001 0.000 0.829 414 L CB 0.704 42.714 42.059 -0.083 0.000 1.211 414 L HN 0.425 nan 8.230 nan 0.000 0.427 415 E N 3.347 123.524 120.200 -0.039 0.000 2.152 415 E HA 0.310 4.658 4.350 -0.003 0.000 0.285 415 E C -0.833 175.726 176.600 -0.070 0.000 1.043 415 E CA -0.483 55.910 56.400 -0.012 0.000 0.839 415 E CB 0.683 30.366 29.700 -0.029 0.000 1.069 415 E HN 0.270 nan 8.360 nan 0.000 0.399 416 F N 1.847 121.846 119.950 0.082 0.000 2.362 416 F HA 0.133 4.658 4.527 -0.003 0.000 0.311 416 F C 1.865 177.712 175.800 0.078 0.000 1.161 416 F CA 0.273 58.346 58.000 0.123 0.000 1.085 416 F CB 1.353 40.510 39.000 0.263 0.000 1.311 416 F HN 0.664 nan 8.300 nan 0.000 0.524 417 S N -0.179 115.691 115.700 0.283 0.000 2.483 417 S HA 0.181 4.650 4.470 -0.003 0.000 0.221 417 S C 0.488 175.173 174.600 0.142 0.000 1.030 417 S CA -0.022 58.270 58.200 0.153 0.000 0.925 417 S CB -0.163 63.096 63.200 0.098 0.000 0.795 417 S HN 0.234 nan 8.310 nan 0.000 0.511 418 I N 3.615 124.291 120.570 0.177 0.000 2.618 418 I HA 0.220 4.388 4.170 -0.003 0.000 0.284 418 I C 0.621 176.801 176.117 0.106 0.000 1.146 418 I CA -0.192 61.165 61.300 0.096 0.000 1.425 418 I CB -0.183 37.835 38.000 0.029 0.000 1.383 418 I HN 0.264 nan 8.210 nan 0.000 0.562 419 K N 5.506 125.944 120.400 0.063 0.000 2.126 419 K HA 0.284 4.603 4.320 -0.003 0.000 0.257 419 K C 1.049 177.687 176.600 0.064 0.000 1.007 419 K CA -0.878 55.449 56.287 0.067 0.000 0.928 419 K CB 1.315 33.840 32.500 0.042 0.000 1.013 419 K HN 0.283 nan 8.250 nan 0.000 0.473 420 I N 1.620 122.240 120.570 0.083 0.000 2.226 420 I HA -0.234 3.934 4.170 -0.003 0.000 0.245 420 I C 1.917 178.068 176.117 0.056 0.000 1.100 420 I CA 1.476 62.825 61.300 0.082 0.000 1.374 420 I CB -0.798 37.259 38.000 0.094 0.000 1.057 420 I HN 0.526 nan 8.210 nan 0.000 0.413 421 K N 0.874 121.307 120.400 0.055 0.000 2.057 421 K HA -0.130 4.188 4.320 -0.003 0.000 0.207 421 K C 1.427 178.040 176.600 0.021 0.000 1.049 421 K CA 1.080 57.395 56.287 0.046 0.000 0.931 421 K CB -0.618 31.906 32.500 0.040 0.000 0.714 421 K HN 0.354 nan 8.250 nan 0.000 0.440 422 D N 0.614 121.017 120.400 0.005 0.000 2.378 422 D HA -0.048 4.591 4.640 -0.003 0.000 0.227 422 D C 0.328 176.604 176.300 -0.041 0.000 1.012 422 D CA 0.220 54.207 54.000 -0.021 0.000 0.905 422 D CB 0.058 40.844 40.800 -0.023 0.000 0.895 422 D HN 0.130 nan 8.370 nan 0.000 0.532 423 L N 2.776 123.977 121.223 -0.038 0.000 2.360 423 L HA 0.188 4.526 4.340 -0.003 0.000 0.276 423 L C -1.983 174.866 176.870 -0.035 0.000 1.121 423 L CA -1.370 53.427 54.840 -0.072 0.000 0.845 423 L CB 0.776 42.777 42.059 -0.097 0.000 1.143 423 L HN -0.195 nan 8.230 nan 0.000 0.452 424 P HA 0.186 nan 4.420 nan 0.000 0.287 424 P C -1.245 176.098 177.300 0.073 0.000 1.270 424 P CA -0.927 62.163 63.100 -0.017 0.000 0.844 424 P CB 1.294 32.867 31.700 -0.213 0.000 1.068 425 K N 0.972 121.461 120.400 0.149 0.000 2.379 425 K HA 0.345 4.664 4.320 -0.003 0.000 0.284 425 K C 0.919 177.667 176.600 0.248 0.000 1.044 425 K CA 0.777 57.164 56.287 0.166 0.000 0.974 425 K CB -0.671 31.895 32.500 0.110 0.000 0.962 425 K HN 0.801 nan 8.250 nan 0.000 0.474 426 G N 2.036 110.983 108.800 0.246 0.000 2.195 426 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.224 426 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.224 426 G C 0.045 174.947 174.900 0.004 0.000 0.990 426 G CA -0.090 45.079 45.100 0.114 0.000 0.639 426 G HN 0.897 nan 8.290 nan 0.000 0.514 427 A N 0.410 123.305 122.820 0.124 0.000 2.477 427 A HA 0.684 5.002 4.320 -0.003 0.000 0.246 427 A C 0.316 177.844 177.584 -0.094 0.000 1.078 427 A CA 0.333 52.406 52.037 0.060 0.000 0.770 427 A CB 0.345 19.345 19.000 -0.001 0.000 1.011 427 A HN 0.861 nan 8.150 nan 0.000 0.494 428 L N 2.470 123.622 121.223 -0.118 0.000 2.322 428 L HA 0.335 4.674 4.340 -0.003 0.000 0.281 428 L C -0.436 176.341 176.870 -0.154 0.000 1.014 428 L CA -0.914 53.844 54.840 -0.137 0.000 0.815 428 L CB 1.714 43.708 42.059 -0.108 0.000 1.247 428 L HN 0.722 nan 8.230 nan 0.000 0.421 429 L N 4.989 126.112 121.223 -0.168 0.000 2.407 429 L HA 0.181 4.520 4.340 -0.003 0.000 0.282 429 L C 0.235 177.072 176.870 -0.055 0.000 1.110 429 L CA 0.556 55.315 54.840 -0.135 0.000 0.863 429 L CB 0.039 42.035 42.059 -0.106 0.000 1.207 429 L HN 0.569 nan 8.230 nan 0.000 0.454 430 N N 6.458 125.148 118.700 -0.018 0.000 2.462 430 N HA 0.229 4.967 4.740 -0.003 0.000 0.242 430 N C -1.320 174.228 175.510 0.063 0.000 1.010 430 N CA -0.557 52.511 53.050 0.031 0.000 0.939 430 N CB 0.562 39.065 38.487 0.028 0.000 1.127 430 N HN 0.636 nan 8.380 nan 0.000 0.509 431 L N 3.240 124.499 121.223 0.059 0.000 2.264 431 L HA 0.355 4.694 4.340 -0.003 0.000 0.289 431 L C 0.142 177.044 176.870 0.053 0.000 1.044 431 L CA -0.464 54.406 54.840 0.050 0.000 0.807 431 L CB 1.288 43.353 42.059 0.011 0.000 1.192 431 L HN 0.400 nan 8.230 nan 0.000 0.425 432 Q N 3.924 123.743 119.800 0.032 0.000 2.413 432 Q HA 0.659 4.998 4.340 -0.003 0.000 0.276 432 Q C -1.123 174.782 176.000 -0.159 0.000 1.099 432 Q CA -0.832 54.939 55.803 -0.053 0.000 0.814 432 Q CB 3.402 32.074 28.738 -0.110 0.000 1.379 432 Q HN 0.523 nan 8.270 nan 0.000 0.436 433 I N 1.841 122.247 120.570 -0.274 0.000 2.406 433 I HA 0.388 4.556 4.170 -0.003 0.000 0.290 433 I C -1.230 174.557 176.117 -0.549 0.000 0.999 433 I CA -0.598 60.516 61.300 -0.310 0.000 1.124 433 I CB 0.968 38.880 38.000 -0.146 0.000 1.289 433 I HN 0.533 nan 8.210 nan 0.000 0.441 434 Y N 4.398 124.353 120.300 -0.575 0.000 2.587 434 Y HA 0.622 5.170 4.550 -0.003 0.000 0.337 434 Y C 0.413 175.991 175.900 -0.537 0.000 1.065 434 Y CA -0.725 57.038 58.100 -0.561 0.000 1.126 434 Y CB 1.538 39.552 38.460 -0.743 0.000 1.279 434 Y HN 0.609 nan 8.280 nan 0.000 0.489 461 L N 3.151 124.215 121.223 -0.265 0.000 2.388 461 L HA 0.362 4.700 4.340 -0.003 0.000 0.209 461 L C -0.412 176.131 176.870 -0.544 0.000 1.061 461 L CA 0.418 55.059 54.840 -0.331 0.000 0.834 461 L CB 0.192 42.136 42.059 -0.192 0.000 1.029 461 L HN 0.497 nan 8.230 nan 0.000 0.473 462 Y N -1.407 118.839 120.300 -0.090 0.000 2.588 462 Y HA 0.503 5.051 4.550 -0.003 0.000 0.343 462 Y C -0.807 175.115 175.900 0.036 0.000 1.065 462 Y CA -1.386 56.702 58.100 -0.021 0.000 1.038 462 Y CB 1.782 40.197 38.460 -0.074 0.000 1.297 462 Y HN -0.040 nan 8.280 nan 0.000 0.467 463 Y N -0.948 119.441 120.300 0.148 0.000 2.597 463 Y HA 0.894 5.442 4.550 -0.003 0.000 0.340 463 Y C -2.085 173.918 175.900 0.172 0.000 1.097 463 Y CA -1.480 56.673 58.100 0.090 0.000 1.037 463 Y CB 1.665 40.152 38.460 0.044 0.000 1.305 463 Y HN 0.609 nan 8.280 nan 0.000 0.463 464 V N 2.174 122.210 119.914 0.203 0.000 3.167 464 V HA 0.506 4.624 4.120 -0.003 0.000 0.293 464 V C -2.012 174.165 176.094 0.139 0.000 1.379 464 V CA -0.786 61.595 62.300 0.136 0.000 1.019 464 V CB 2.474 34.276 31.823 -0.036 0.000 1.115 464 V HN 1.024 nan 8.190 nan 0.000 0.442 465 N N 3.066 121.839 118.700 0.121 0.000 2.380 465 N HA 0.794 5.533 4.740 -0.003 0.000 0.290 465 N C -1.723 173.771 175.510 -0.026 0.000 1.236 465 N CA -0.442 52.636 53.050 0.046 0.000 0.780 465 N CB 2.599 41.121 38.487 0.058 0.000 1.438 465 N HN 0.584 nan 8.380 nan 0.000 0.491 466 L N 1.113 122.286 121.223 -0.083 0.000 2.596 466 L HA 0.416 4.755 4.340 -0.003 0.000 0.265 466 L C -1.324 175.459 176.870 -0.146 0.000 0.962 466 L CA -0.346 54.408 54.840 -0.143 0.000 0.891 466 L CB 1.181 43.081 42.059 -0.265 0.000 1.248 466 L HN 0.466 nan 8.230 nan 0.000 0.410 467 L N 5.665 126.801 121.223 -0.146 0.000 2.584 467 L HA 0.003 4.342 4.340 -0.003 0.000 0.272 467 L C 1.287 178.085 176.870 -0.121 0.000 1.195 467 L CA 0.343 55.081 54.840 -0.170 0.000 0.920 467 L CB 0.410 42.324 42.059 -0.241 0.000 1.173 467 L HN 0.776 nan 8.230 nan 0.000 0.489 468 L N 4.601 125.747 121.223 -0.128 0.000 2.156 468 L HA 0.034 4.372 4.340 -0.003 0.000 0.208 468 L C 0.636 177.481 176.870 -0.041 0.000 1.095 468 L CA 0.917 55.689 54.840 -0.113 0.000 0.770 468 L CB 0.066 41.984 42.059 -0.236 0.000 0.914 468 L HN 0.517 nan 8.230 nan 0.000 0.439 469 I N 0.446 121.010 120.570 -0.011 0.000 2.339 469 I HA 0.109 4.277 4.170 -0.003 0.000 0.290 469 I C -0.317 175.854 176.117 0.090 0.000 0.994 469 I CA -0.892 60.432 61.300 0.039 0.000 1.191 469 I CB 1.322 39.355 38.000 0.055 0.000 1.343 469 I HN 0.056 nan 8.210 nan 0.000 0.458 470 D N 5.321 125.753 120.400 0.054 0.000 2.411 470 D HA -0.020 4.619 4.640 -0.003 0.000 0.251 470 D C 1.323 177.627 176.300 0.006 0.000 1.201 470 D CA -0.015 54.039 54.000 0.089 0.000 0.996 470 D CB 0.421 41.225 40.800 0.007 0.000 1.101 470 D HN 0.620 nan 8.370 nan 0.000 0.504 471 H N -0.053 118.994 119.070 -0.038 0.000 2.489 471 H HA -0.047 4.508 4.556 -0.003 0.000 0.295 471 H C 1.089 176.153 175.328 -0.441 0.000 1.082 471 H CA 0.851 56.730 56.048 -0.282 0.000 1.295 471 H CB -0.260 29.359 29.762 -0.239 0.000 1.380 471 H HN 0.385 nan 8.280 nan 0.000 0.548 472 R N -0.600 119.491 120.500 -0.681 0.000 2.426 472 R HA 0.096 4.435 4.340 -0.003 0.000 0.263 472 R C -0.279 176.056 176.300 0.058 0.000 0.961 472 R CA -0.155 55.751 56.100 -0.323 0.000 1.086 472 R CB -0.121 29.938 30.300 -0.402 0.000 1.186 472 R HN 0.151 nan 8.270 nan 0.000 0.537 473 F N -1.714 118.155 119.950 -0.135 0.000 2.748 473 F HA -0.304 4.222 4.527 -0.003 0.000 0.370 473 F C 0.014 175.809 175.800 -0.007 0.000 0.620 473 F CA 0.257 58.228 58.000 -0.047 0.000 1.233 473 F CB -1.388 37.598 39.000 -0.023 0.000 1.708 473 F HN 0.017 nan 8.300 nan 0.000 0.298 474 L N 1.299 122.578 121.223 0.092 0.000 2.397 474 L HA 0.289 4.627 4.340 -0.003 0.000 0.271 474 L C 0.653 177.562 176.870 0.065 0.000 1.148 474 L CA -0.645 54.250 54.840 0.092 0.000 0.825 474 L CB 0.521 42.608 42.059 0.048 0.000 1.117 474 L HN 0.027 nan 8.230 nan 0.000 0.456 475 L N 3.157 124.410 121.223 0.050 0.000 2.461 475 L HA 0.136 4.475 4.340 -0.003 0.000 0.272 475 L C 0.529 177.414 176.870 0.024 0.000 1.197 475 L CA 0.362 55.198 54.840 -0.007 0.000 0.836 475 L CB 0.478 42.449 42.059 -0.146 0.000 1.105 475 L HN 0.509 nan 8.230 nan 0.000 0.477 476 R N 4.027 124.562 120.500 0.059 0.000 2.390 476 R HA 0.465 4.803 4.340 -0.003 0.000 0.291 476 R C -0.738 175.664 176.300 0.170 0.000 1.070 476 R CA -0.153 56.020 56.100 0.123 0.000 1.014 476 R CB 0.468 30.819 30.300 0.084 0.000 1.007 476 R HN 0.686 nan 8.270 nan 0.000 0.466 477 R N 2.242 122.880 120.500 0.230 0.000 2.668 477 R HA 0.521 4.859 4.340 -0.003 0.000 0.272 477 R C -1.080 175.325 176.300 0.175 0.000 1.019 477 R CA -0.031 56.185 56.100 0.193 0.000 0.894 477 R CB 2.222 32.585 30.300 0.104 0.000 1.228 477 R HN 0.942 nan 8.270 nan 0.000 0.460 478 G N 1.803 110.665 108.800 0.104 0.000 2.352 478 G HA2 -0.136 3.823 3.960 -0.003 0.000 0.324 478 G HA3 -0.136 3.823 3.960 -0.003 0.000 0.324 478 G C -1.475 173.324 174.900 -0.169 0.000 1.249 478 G CA -0.884 44.172 45.100 -0.073 0.000 1.053 478 G HN 0.420 nan 8.290 nan 0.000 0.492 479 E N 0.026 120.046 120.200 -0.301 0.000 2.259 479 E HA 0.552 4.901 4.350 -0.003 0.000 0.281 479 E C -1.191 175.111 176.600 -0.497 0.000 1.027 479 E CA 0.061 56.309 56.400 -0.253 0.000 0.838 479 E CB 1.317 30.923 29.700 -0.157 0.000 1.066 479 E HN 0.418 nan 8.360 nan 0.000 0.401 480 Y N 0.239 120.508 120.300 -0.051 0.000 2.331 480 Y HA 0.221 4.769 4.550 -0.003 0.000 0.326 480 Y C -0.271 175.565 175.900 -0.106 0.000 1.020 480 Y CA -0.902 57.145 58.100 -0.088 0.000 1.136 480 Y CB 1.766 40.137 38.460 -0.148 0.000 1.157 480 Y HN 0.132 nan 8.280 nan 0.000 0.444 481 V N 5.951 125.885 119.914 0.033 0.000 2.318 481 V HA 0.313 4.432 4.120 -0.003 0.000 0.271 481 V C -0.236 175.810 176.094 -0.081 0.000 1.030 481 V CA -0.555 61.711 62.300 -0.056 0.000 0.844 481 V CB 0.561 32.342 31.823 -0.069 0.000 1.015 481 V HN 0.583 nan 8.190 nan 0.000 0.460 482 L N 5.394 126.526 121.223 -0.151 0.000 2.272 482 L HA 0.519 4.858 4.340 -0.003 0.000 0.289 482 L C 0.216 176.918 176.870 -0.281 0.000 1.032 482 L CA -0.503 54.238 54.840 -0.165 0.000 0.810 482 L CB 0.759 42.715 42.059 -0.172 0.000 1.205 482 L HN 0.563 nan 8.230 nan 0.000 0.422 483 H N 4.649 123.605 119.070 -0.190 0.000 2.610 483 H HA 0.410 4.964 4.556 -0.003 0.000 0.336 483 H C -0.364 174.706 175.328 -0.430 0.000 1.087 483 H CA -0.033 55.852 56.048 -0.272 0.000 1.405 483 H CB 1.589 31.192 29.762 -0.265 0.000 1.460 483 H HN 0.462 nan 8.280 nan 0.000 0.538 484 M N 2.265 121.675 119.600 -0.316 0.000 2.472 484 M HA 0.201 4.679 4.480 -0.003 0.000 0.331 484 M C -0.730 175.334 176.300 -0.393 0.000 1.170 484 M CA -0.768 54.317 55.300 -0.359 0.000 1.009 484 M CB 1.835 34.330 32.600 -0.175 0.000 1.672 484 M HN 0.424 nan 8.290 nan 0.000 0.453 485 W N 1.420 122.536 121.300 -0.308 0.000 2.272 485 W HA 0.376 5.034 4.660 -0.003 0.000 0.318 485 W C 0.375 176.780 176.519 -0.190 0.000 1.255 485 W CA -0.240 56.889 57.345 -0.359 0.000 1.200 485 W CB 0.404 29.406 29.460 -0.763 0.000 1.170 485 W HN 0.532 nan 8.180 nan 0.000 0.549 486 Q N 1.832 121.738 119.800 0.176 0.000 2.256 486 Q HA 0.350 4.688 4.340 -0.003 0.000 0.232 486 Q C -0.553 175.491 176.000 0.073 0.000 0.965 486 Q CA -0.650 55.123 55.803 -0.051 0.000 0.908 486 Q CB 0.867 29.570 28.738 -0.058 0.000 1.209 486 Q HN 0.308 nan 8.270 nan 0.000 0.489 487 I N 2.617 123.157 120.570 -0.050 0.000 2.336 487 I HA 0.139 4.308 4.170 -0.003 0.000 0.292 487 I C -0.022 176.103 176.117 0.013 0.000 0.991 487 I CA -0.173 61.152 61.300 0.041 0.000 1.227 487 I CB 1.145 39.136 38.000 -0.015 0.000 1.366 487 I HN 0.620 nan 8.210 nan 0.000 0.466 488 S N 4.510 120.246 115.700 0.059 0.000 2.548 488 S HA 0.533 5.001 4.470 -0.003 0.000 0.277 488 S C 0.497 175.122 174.600 0.041 0.000 1.315 488 S CA -0.717 57.514 58.200 0.052 0.000 1.050 488 S CB 1.433 64.677 63.200 0.073 0.000 0.918 488 S HN 0.785 nan 8.310 nan 0.000 0.497 498 N N 1.060 119.850 118.700 0.150 0.000 2.619 498 N HA 0.582 5.320 4.740 -0.003 0.000 0.294 498 N C 0.311 175.852 175.510 0.051 0.000 1.279 498 N CA 0.282 53.368 53.050 0.062 0.000 0.867 498 N CB 1.261 39.754 38.487 0.011 0.000 1.329 498 N HN 0.279 nan 8.380 nan 0.000 0.557 499 A N -0.508 122.339 122.820 0.046 0.000 2.123 499 A HA 0.025 4.343 4.320 -0.003 0.000 0.214 499 A C 1.043 178.676 177.584 0.083 0.000 1.152 499 A CA 0.687 52.764 52.037 0.068 0.000 0.728 499 A CB -0.443 18.485 19.000 -0.119 0.000 0.814 499 A HN 0.685 nan 8.150 nan 0.000 0.464 500 D N 0.330 120.697 120.400 -0.056 0.000 2.218 500 D HA -0.093 4.546 4.640 -0.003 0.000 0.204 500 D C 1.641 177.879 176.300 -0.103 0.000 0.976 500 D CA 0.972 54.824 54.000 -0.246 0.000 0.853 500 D CB -0.133 40.204 40.800 -0.772 0.000 0.939 500 D HN 0.430 nan 8.370 nan 0.000 0.481 501 K N -0.019 120.286 120.400 -0.158 0.000 2.362 501 K HA 0.026 4.344 4.320 -0.003 0.000 0.200 501 K C 1.553 178.123 176.600 -0.050 0.000 1.046 501 K CA 0.366 56.455 56.287 -0.330 0.000 0.952 501 K CB 0.146 32.382 32.500 -0.441 0.000 0.753 501 K HN 0.207 nan 8.250 nan 0.000 0.466 502 L N 0.338 121.586 121.223 0.041 0.000 2.592 502 L HA 0.044 4.383 4.340 -0.003 0.000 0.227 502 L C 1.016 177.931 176.870 0.076 0.000 1.127 502 L CA -0.086 54.796 54.840 0.070 0.000 0.884 502 L CB 0.255 42.377 42.059 0.105 0.000 1.065 502 L HN -0.046 nan 8.230 nan 0.000 0.457 503 T N -0.594 113.985 114.554 0.042 0.000 2.851 503 T HA 0.035 4.383 4.350 -0.003 0.000 0.298 503 T C 1.336 176.038 174.700 0.004 0.000 0.977 503 T CA 0.142 62.174 62.100 -0.113 0.000 1.126 503 T CB 1.105 69.641 68.868 -0.553 0.000 0.916 503 T HN 0.333 nan 8.240 nan 0.000 0.529 504 S N 3.733 119.419 115.700 -0.024 0.000 2.555 504 S HA 0.236 4.704 4.470 -0.003 0.000 0.230 504 S C 1.036 175.696 174.600 0.100 0.000 0.978 504 S CA 0.018 58.222 58.200 0.006 0.000 0.934 504 S CB -0.283 62.852 63.200 -0.109 0.000 0.766 504 S HN 0.916 nan 8.310 nan 0.000 0.533 505 A N 1.978 124.863 122.820 0.108 0.000 2.406 505 A HA 0.543 4.862 4.320 -0.003 0.000 0.243 505 A C 0.684 178.459 177.584 0.319 0.000 1.082 505 A CA 0.101 52.253 52.037 0.192 0.000 0.786 505 A CB 0.042 19.128 19.000 0.143 0.000 1.029 505 A HN 0.657 nan 8.150 nan 0.000 0.495 506 T N -0.399 114.244 114.554 0.148 0.000 2.912 506 T HA 0.419 4.767 4.350 -0.003 0.000 0.288 506 T C -0.101 174.243 174.700 -0.593 0.000 1.030 506 T CA -0.995 60.994 62.100 -0.184 0.000 1.020 506 T CB 0.947 69.777 68.868 -0.062 0.000 1.056 506 T HN 0.556 nan 8.240 nan 0.000 0.480 507 N N 3.071 121.014 118.700 -1.261 0.000 2.414 507 N HA 0.074 4.813 4.740 -0.003 0.000 0.268 507 N C -1.183 174.011 175.510 -0.527 0.000 1.286 507 N CA -1.666 50.616 53.050 -1.280 0.000 0.896 507 N CB 1.026 38.905 38.487 -1.013 0.000 1.093 507 N HN 0.454 nan 8.380 nan 0.000 0.480 508 P HA -0.081 nan 4.420 nan 0.000 0.221 508 P C 0.056 177.242 177.300 -0.190 0.000 1.150 508 P CA 0.656 63.657 63.100 -0.165 0.000 0.800 508 P CB 0.193 31.875 31.700 -0.030 0.000 0.787 509 D N 0.911 121.199 120.400 -0.187 0.000 2.385 509 D HA -0.004 4.634 4.640 -0.003 0.000 0.260 509 D C 1.064 177.224 176.300 -0.234 0.000 1.326 509 D CA 0.219 54.127 54.000 -0.154 0.000 1.023 509 D CB 0.172 40.920 40.800 -0.087 0.000 1.083 509 D HN 0.017 nan 8.370 nan 0.000 0.517 510 K N 2.000 122.223 120.400 -0.295 0.000 2.243 510 K HA -0.045 4.273 4.320 -0.003 0.000 0.201 510 K C 1.498 177.969 176.600 -0.215 0.000 1.051 510 K CA 0.310 56.312 56.287 -0.476 0.000 0.970 510 K CB 0.409 32.614 32.500 -0.491 0.000 0.755 510 K HN 0.438 nan 8.250 nan 0.000 0.465 511 E N 0.523 120.650 120.200 -0.122 0.000 2.285 511 E HA -0.083 4.265 4.350 -0.003 0.000 0.194 511 E C 0.761 177.345 176.600 -0.026 0.000 0.997 511 E CA 0.696 57.062 56.400 -0.057 0.000 0.845 511 E CB 0.344 30.017 29.700 -0.045 0.000 0.782 511 E HN 0.193 nan 8.360 nan 0.000 0.491 512 N N -0.354 118.331 118.700 -0.024 0.000 2.210 512 N HA -0.009 4.729 4.740 -0.003 0.000 0.203 512 N C -0.092 175.435 175.510 0.028 0.000 1.175 512 N CA 0.170 53.224 53.050 0.007 0.000 0.894 512 N CB 0.879 39.375 38.487 0.014 0.000 1.041 512 N HN -0.011 nan 8.380 nan 0.000 0.506 513 S N 0.303 116.014 115.700 0.018 0.000 2.617 513 S HA 0.392 4.861 4.470 -0.003 0.000 0.269 513 S C 0.412 175.008 174.600 -0.005 0.000 1.292 513 S CA -0.693 57.526 58.200 0.032 0.000 1.010 513 S CB 1.341 64.537 63.200 -0.006 0.000 0.944 513 S HN 0.122 nan 8.310 nan 0.000 0.536 514 M N 2.338 121.846 119.600 -0.154 0.000 2.240 514 M HA 0.425 4.903 4.480 -0.003 0.000 0.333 514 M C -0.133 175.989 176.300 -0.297 0.000 1.110 514 M CA 0.418 55.502 55.300 -0.360 0.000 1.173 514 M CB 0.993 32.995 32.600 -0.997 0.000 1.458 514 M HN 0.931 nan 8.290 nan 0.000 0.458 515 S N 5.275 120.788 115.700 -0.312 0.000 2.614 515 S HA 0.626 5.094 4.470 -0.003 0.000 0.288 515 S C -0.927 173.516 174.600 -0.261 0.000 1.137 515 S CA -1.016 56.939 58.200 -0.408 0.000 0.992 515 S CB 0.870 63.691 63.200 -0.632 0.000 1.026 515 S HN 0.881 nan 8.310 nan 0.000 0.486 516 I N 3.100 123.535 120.570 -0.225 0.000 2.566 516 I HA 0.655 4.824 4.170 -0.003 0.000 0.303 516 I C -0.612 175.435 176.117 -0.116 0.000 0.983 516 I CA -0.124 61.099 61.300 -0.128 0.000 1.235 516 I CB 1.914 39.853 38.000 -0.101 0.000 1.386 516 I HN 0.805 nan 8.210 nan 0.000 0.494 517 S N 7.215 122.878 115.700 -0.062 0.000 2.594 517 S HA 0.661 5.129 4.470 -0.003 0.000 0.296 517 S C -0.659 173.921 174.600 -0.033 0.000 1.124 517 S CA -0.538 57.633 58.200 -0.049 0.000 1.011 517 S CB 1.367 64.537 63.200 -0.050 0.000 1.016 517 S HN 0.553 nan 8.310 nan 0.000 0.485 518 I N -0.109 120.454 120.570 -0.012 0.000 3.264 518 I HA 0.910 5.079 4.170 -0.003 0.000 0.315 518 I C -1.876 174.247 176.117 0.009 0.000 1.154 518 I CA -1.489 59.802 61.300 -0.015 0.000 0.962 518 I CB 1.931 39.941 38.000 0.016 0.000 1.265 518 I HN 0.499 nan 8.210 nan 0.000 0.463 519 L N 2.957 124.168 121.223 -0.020 0.000 2.516 519 L HA 0.613 4.951 4.340 -0.003 0.000 0.267 519 L C -2.059 174.875 176.870 0.108 0.000 0.957 519 L CA -0.339 54.514 54.840 0.021 0.000 0.860 519 L CB 1.784 43.797 42.059 -0.077 0.000 1.265 519 L HN 0.540 nan 8.230 nan 0.000 0.403 520 L N 4.304 125.640 121.223 0.188 0.000 2.289 520 L HA 0.551 4.889 4.340 -0.003 0.000 0.285 520 L C 0.147 177.125 176.870 0.180 0.000 1.049 520 L CA 0.187 55.143 54.840 0.194 0.000 0.804 520 L CB 1.191 43.383 42.059 0.223 0.000 1.195 520 L HN 0.694 nan 8.230 nan 0.000 0.428 521 D N 1.148 121.650 120.400 0.170 0.000 2.865 521 D HA 0.127 4.765 4.640 -0.003 0.000 0.347 521 D C 0.103 176.424 176.300 0.035 0.000 1.498 521 D CA -0.151 53.921 54.000 0.120 0.000 0.787 521 D CB 0.461 41.371 40.800 0.184 0.000 1.190 521 D HN 0.398 nan 8.370 nan 0.000 0.445 526 P HA 0.419 nan 4.420 nan 0.000 0.293 526 P C -0.164 177.207 177.300 0.119 0.000 1.305 526 P CA -0.501 62.699 63.100 0.166 0.000 0.874 526 P CB 1.483 33.286 31.700 0.171 0.000 1.288 527 I N -2.281 118.349 120.570 0.100 0.000 5.115 527 I HA -0.181 3.988 4.170 -0.003 0.000 0.126 527 I C 0.363 176.499 176.117 0.032 0.000 1.316 527 I CA 0.470 61.820 61.300 0.082 0.000 2.641 527 I CB -1.966 36.117 38.000 0.138 0.000 2.272 527 I HN 0.512 nan 8.210 nan 0.000 0.321 545 A N 1.549 124.363 122.820 -0.010 0.000 2.109 545 A HA -0.108 4.210 4.320 -0.003 0.000 0.556 545 A C -0.808 176.802 177.584 0.043 0.000 0.434 545 A CA 1.079 53.131 52.037 0.024 0.000 0.334 545 A CB -0.757 18.268 19.000 0.041 0.000 3.228 545 A HN 0.518 nan 8.150 nan 0.000 0.445 546 E N 2.900 123.120 120.200 0.032 0.000 2.166 546 E HA 0.716 5.064 4.350 -0.003 0.000 0.275 546 E C 0.552 177.151 176.600 -0.002 0.000 0.941 546 E CA -0.665 55.742 56.400 0.012 0.000 0.784 546 E CB 0.783 30.481 29.700 -0.004 0.000 1.115 546 E HN 0.612 nan 8.360 nan 0.000 0.399 547 M N 5.096 124.654 119.600 -0.071 0.000 2.252 547 M HA 0.166 4.644 4.480 -0.003 0.000 0.333 547 M C -1.714 174.521 176.300 -0.109 0.000 1.111 547 M CA -1.275 53.919 55.300 -0.176 0.000 1.140 547 M CB 0.168 32.527 32.600 -0.403 0.000 1.538 547 M HN 0.376 nan 8.290 nan 0.000 0.448 548 P HA 0.064 nan 4.420 nan 0.000 0.276 548 P C -0.389 176.866 177.300 -0.075 0.000 1.235 548 P CA -0.123 62.945 63.100 -0.053 0.000 0.772 548 P CB 0.231 31.917 31.700 -0.022 0.000 0.871 549 N N 3.386 122.053 118.700 -0.054 0.000 2.258 549 N HA -0.279 4.459 4.740 -0.003 0.000 0.187 549 N C 1.485 176.962 175.510 -0.055 0.000 1.012 549 N CA 1.675 54.692 53.050 -0.054 0.000 0.870 549 N CB -0.463 38.003 38.487 -0.035 0.000 0.977 549 N HN 0.312 nan 8.380 nan 0.000 0.434 550 Q N -0.336 119.437 119.800 -0.045 0.000 2.187 550 Q HA 0.221 4.559 4.340 -0.003 0.000 0.199 550 Q C 1.948 177.921 176.000 -0.044 0.000 0.957 550 Q CA 0.857 56.639 55.803 -0.036 0.000 0.857 550 Q CB -0.036 28.690 28.738 -0.021 0.000 0.929 550 Q HN 0.476 nan 8.270 nan 0.000 0.453 551 L N -0.221 120.965 121.223 -0.063 0.000 2.109 551 L HA -0.114 4.224 4.340 -0.003 0.000 0.207 551 L C 2.453 179.247 176.870 -0.127 0.000 1.086 551 L CA 1.272 56.065 54.840 -0.077 0.000 0.760 551 L CB -0.389 41.614 42.059 -0.093 0.000 0.910 551 L HN 0.215 nan 8.230 nan 0.000 0.437 552 R N 1.012 121.411 120.500 -0.168 0.000 2.105 552 R HA -0.218 4.120 4.340 -0.003 0.000 0.239 552 R C 2.092 178.331 176.300 -0.102 0.000 1.135 552 R CA 1.722 57.724 56.100 -0.163 0.000 0.967 552 R CB -0.109 30.107 30.300 -0.140 0.000 0.861 552 R HN 0.238 nan 8.270 nan 0.000 0.442 553 K N 0.048 120.404 120.400 -0.073 0.000 2.155 553 K HA -0.100 4.218 4.320 -0.003 0.000 0.203 553 K C 2.242 178.816 176.600 -0.044 0.000 1.052 553 K CA 1.185 57.441 56.287 -0.052 0.000 0.948 553 K CB -0.043 32.434 32.500 -0.037 0.000 0.728 553 K HN 0.290 nan 8.250 nan 0.000 0.448 554 Q N 0.676 120.452 119.800 -0.039 0.000 2.170 554 Q HA -0.153 4.185 4.340 -0.003 0.000 0.203 554 Q C 2.068 178.055 176.000 -0.020 0.000 0.976 554 Q CA 1.120 56.910 55.803 -0.021 0.000 0.858 554 Q CB 0.079 28.814 28.738 -0.005 0.000 0.907 554 Q HN 0.244 nan 8.270 nan 0.000 0.433 555 L N 0.438 121.637 121.223 -0.040 0.000 2.131 555 L HA -0.065 4.273 4.340 -0.003 0.000 0.206 555 L C 1.893 178.720 176.870 -0.072 0.000 1.087 555 L CA 1.486 56.303 54.840 -0.039 0.000 0.767 555 L CB -0.039 41.984 42.059 -0.059 0.000 0.917 555 L HN 0.099 nan 8.230 nan 0.000 0.441 556 E N -0.531 119.612 120.200 -0.095 0.000 2.106 556 E HA -0.160 4.188 4.350 -0.003 0.000 0.192 556 E C 2.169 178.725 176.600 -0.074 0.000 0.984 556 E CA 0.933 57.260 56.400 -0.122 0.000 0.806 556 E CB -0.165 29.471 29.700 -0.107 0.000 0.750 556 E HN 0.641 nan 8.360 nan 0.000 0.458 557 A N 0.793 123.585 122.820 -0.047 0.000 1.930 557 A HA -0.154 4.165 4.320 -0.003 0.000 0.217 557 A C 2.086 179.659 177.584 -0.018 0.000 1.175 557 A CA 0.926 52.947 52.037 -0.028 0.000 0.627 557 A CB -0.451 18.538 19.000 -0.019 0.000 0.815 557 A HN 0.156 nan 8.150 nan 0.000 0.443 558 I N -0.463 120.097 120.570 -0.015 0.000 2.226 558 I HA -0.243 3.925 4.170 -0.003 0.000 0.245 558 I C 2.175 178.293 176.117 0.002 0.000 1.100 558 I CA 1.279 62.580 61.300 0.000 0.000 1.374 558 I CB -0.192 37.815 38.000 0.011 0.000 1.057 558 I HN 0.284 nan 8.210 nan 0.000 0.413 559 I N 0.338 120.895 120.570 -0.020 0.000 2.546 559 I HA -0.213 3.956 4.170 -0.003 0.000 0.255 559 I C 2.592 178.708 176.117 -0.001 0.000 1.163 559 I CA 0.973 62.264 61.300 -0.015 0.000 1.457 559 I CB -0.300 37.650 38.000 -0.084 0.000 1.092 559 I HN 0.161 nan 8.210 nan 0.000 0.434 560 A N 0.314 123.125 122.820 -0.014 0.000 2.014 560 A HA -0.069 4.250 4.320 -0.003 0.000 0.218 560 A C 1.562 179.148 177.584 0.003 0.000 1.163 560 A CA 1.257 53.290 52.037 -0.006 0.000 0.652 560 A CB -1.048 17.944 19.000 -0.014 0.000 0.808 560 A HN 0.474 nan 8.150 nan 0.000 0.449 561 T N 0.198 114.755 114.554 0.006 0.000 2.734 561 T HA 0.281 4.630 4.350 -0.003 0.000 0.314 561 T C 0.137 174.847 174.700 0.017 0.000 1.057 561 T CA -0.118 61.987 62.100 0.008 0.000 1.047 561 T CB 0.226 69.101 68.868 0.011 0.000 0.991 561 T HN 0.521 nan 8.240 nan 0.000 0.540 562 D N 0.672 121.080 120.400 0.012 0.000 2.377 562 D HA 0.135 4.773 4.640 -0.003 0.000 0.245 562 D C -1.993 174.328 176.300 0.035 0.000 1.196 562 D CA -1.807 52.202 54.000 0.016 0.000 0.962 562 D CB 0.356 41.157 40.800 0.002 0.000 1.127 562 D HN 0.229 nan 8.370 nan 0.000 0.471 563 P HA 0.017 nan 4.420 nan 0.000 0.226 563 P C 1.202 178.533 177.300 0.052 0.000 1.153 563 P CA 0.797 63.934 63.100 0.063 0.000 0.777 563 P CB 0.149 31.888 31.700 0.066 0.000 0.794 564 L N -2.228 119.017 121.223 0.036 0.000 2.513 564 L HA 0.149 4.488 4.340 -0.003 0.000 0.222 564 L C 0.903 177.786 176.870 0.022 0.000 1.096 564 L CA -0.236 54.621 54.840 0.029 0.000 0.857 564 L CB -0.621 41.455 42.059 0.028 0.000 1.026 564 L HN -0.090 nan 8.230 nan 0.000 0.469 565 N N 2.769 121.482 118.700 0.021 0.000 2.434 565 N HA 0.043 4.781 4.740 -0.003 0.000 0.268 565 N C -2.236 173.286 175.510 0.021 0.000 1.256 565 N CA -0.984 52.076 53.050 0.017 0.000 0.914 565 N CB 0.440 38.936 38.487 0.014 0.000 1.088 565 N HN -0.039 nan 8.380 nan 0.000 0.478 566 P HA 0.136 nan 4.420 nan 0.000 0.275 566 P C -0.742 176.570 177.300 0.020 0.000 1.228 566 P CA -0.174 62.936 63.100 0.017 0.000 0.786 566 P CB 0.809 32.518 31.700 0.014 0.000 0.927 567 L N 2.385 123.622 121.223 0.022 0.000 2.265 567 L HA 0.263 4.602 4.340 -0.003 0.000 0.288 567 L C 1.108 177.989 176.870 0.018 0.000 1.058 567 L CA -0.366 54.489 54.840 0.025 0.000 0.809 567 L CB 0.601 42.680 42.059 0.033 0.000 1.179 567 L HN 0.352 nan 8.230 nan 0.000 0.429 568 T N 1.199 115.763 114.554 0.017 0.000 2.734 568 T HA 0.054 4.403 4.350 -0.003 0.000 0.314 568 T C 1.396 176.103 174.700 0.011 0.000 1.057 568 T CA 0.096 62.204 62.100 0.013 0.000 1.047 568 T CB 1.122 69.998 68.868 0.013 0.000 0.991 568 T HN 0.745 nan 8.240 nan 0.000 0.540 569 A N 0.370 123.194 122.820 0.005 0.000 1.933 569 A HA -0.114 4.204 4.320 -0.003 0.000 0.218 569 A C 2.231 179.819 177.584 0.007 0.000 1.175 569 A CA 1.440 53.477 52.037 0.000 0.000 0.628 569 A CB -0.589 18.407 19.000 -0.006 0.000 0.814 569 A HN 0.901 nan 8.150 nan 0.000 0.444 570 E N -0.032 120.175 120.200 0.012 0.000 2.150 570 E HA -0.193 4.155 4.350 -0.003 0.000 0.193 570 E C 1.097 177.718 176.600 0.034 0.000 0.985 570 E CA 1.323 57.734 56.400 0.019 0.000 0.814 570 E CB -0.141 29.569 29.700 0.016 0.000 0.752 570 E HN 0.568 nan 8.360 nan 0.000 0.466 571 D N 0.624 121.044 120.400 0.033 0.000 2.097 571 D HA -0.117 4.522 4.640 -0.003 0.000 0.197 571 D C 1.892 178.225 176.300 0.055 0.000 0.984 571 D CA 1.053 55.079 54.000 0.043 0.000 0.826 571 D CB -0.140 40.681 40.800 0.034 0.000 0.973 571 D HN 0.112 nan 8.370 nan 0.000 0.460 572 K N 0.474 120.899 120.400 0.042 0.000 2.057 572 K HA -0.113 4.206 4.320 -0.003 0.000 0.207 572 K C 2.024 178.669 176.600 0.074 0.000 1.049 572 K CA 0.951 57.265 56.287 0.044 0.000 0.931 572 K CB -0.055 32.450 32.500 0.007 0.000 0.714 572 K HN 0.224 nan 8.250 nan 0.000 0.440 573 E N 0.659 120.896 120.200 0.062 0.000 2.204 573 E HA -0.105 4.244 4.350 -0.003 0.000 0.194 573 E C 1.952 178.626 176.600 0.123 0.000 0.989 573 E CA 0.358 56.811 56.400 0.089 0.000 0.824 573 E CB 0.142 29.864 29.700 0.037 0.000 0.756 573 E HN 0.212 nan 8.360 nan 0.000 0.477 574 L N 0.497 121.791 121.223 0.119 0.000 2.049 574 L HA -0.142 4.197 4.340 -0.003 0.000 0.203 574 L C 2.184 179.183 176.870 0.215 0.000 1.074 574 L CA 0.754 55.703 54.840 0.182 0.000 0.749 574 L CB -0.254 41.907 42.059 0.170 0.000 0.907 574 L HN 0.247 nan 8.230 nan 0.000 0.439 575 L N -0.384 120.930 121.223 0.151 0.000 2.051 575 L HA -0.330 4.008 4.340 -0.003 0.000 0.214 575 L C 2.263 179.177 176.870 0.074 0.000 1.076 575 L CA 1.999 56.902 54.840 0.106 0.000 0.758 575 L CB -1.462 40.641 42.059 0.073 0.000 0.890 575 L HN 0.535 nan 8.230 nan 0.000 0.433 576 W N -0.655 120.590 121.300 -0.092 0.000 2.453 576 W HA -0.174 4.484 4.660 -0.003 0.000 0.289 576 W C 2.563 178.978 176.519 -0.174 0.000 1.215 576 W CA 1.119 58.366 57.345 -0.163 0.000 1.297 576 W CB -0.337 29.029 29.460 -0.158 0.000 1.113 576 W HN 0.352 nan 8.180 nan 0.000 0.551 577 H N -0.577 118.312 119.070 -0.302 0.000 2.423 577 H HA -0.117 4.437 4.556 -0.003 0.000 0.297 577 H C 0.101 174.948 175.328 -0.801 0.000 1.075 577 H CA 1.230 56.909 56.048 -0.614 0.000 1.342 577 H CB -0.498 28.851 29.762 -0.687 0.000 1.395 577 H HN 0.021 nan 8.280 nan 0.000 0.530 578 F N 0.624 120.473 119.950 -0.169 0.000 2.942 578 F HA 0.280 4.805 4.527 -0.003 0.000 0.324 578 F C 1.475 177.136 175.800 -0.232 0.000 1.265 578 F CA -0.586 57.315 58.000 -0.165 0.000 1.255 578 F CB 0.365 39.344 39.000 -0.035 0.000 1.048 578 F HN -0.128 nan 8.300 nan 0.000 0.512 579 R N -0.366 119.910 120.500 -0.372 0.000 2.134 579 R HA -0.243 4.095 4.340 -0.003 0.000 0.248 579 R C 1.255 177.286 176.300 -0.449 0.000 1.143 579 R CA 2.238 57.991 56.100 -0.578 0.000 0.957 579 R CB -0.517 29.128 30.300 -1.092 0.000 0.867 579 R HN 0.443 nan 8.270 nan 0.000 0.441 580 Y N -0.863 119.340 120.300 -0.161 0.000 2.395 580 Y HA -0.083 4.465 4.550 -0.003 0.000 0.293 580 Y C 2.294 178.188 175.900 -0.011 0.000 1.123 580 Y CA 0.949 58.995 58.100 -0.090 0.000 1.227 580 Y CB 0.102 38.507 38.460 -0.092 0.000 1.012 580 Y HN 0.067 nan 8.280 nan 0.000 0.552 581 E N -0.142 120.151 120.200 0.155 0.000 2.158 581 E HA -0.084 4.265 4.350 -0.003 0.000 0.191 581 E C 2.023 178.735 176.600 0.187 0.000 0.982 581 E CA 1.149 57.639 56.400 0.149 0.000 0.823 581 E CB -0.098 29.669 29.700 0.113 0.000 0.766 581 E HN 0.150 nan 8.360 nan 0.000 0.468 582 S N 0.065 115.825 115.700 0.100 0.000 2.447 582 S HA -0.068 4.401 4.470 -0.003 0.000 0.233 582 S C 1.594 176.266 174.600 0.121 0.000 1.006 582 S CA 0.531 58.786 58.200 0.093 0.000 0.957 582 S CB -0.130 63.044 63.200 -0.043 0.000 0.773 582 S HN 0.231 nan 8.310 nan 0.000 0.507 583 L N 1.442 122.692 121.223 0.046 0.000 2.418 583 L HA 0.147 4.486 4.340 -0.003 0.000 0.218 583 L C 1.743 178.778 176.870 0.274 0.000 1.125 583 L CA 1.190 56.084 54.840 0.090 0.000 0.835 583 L CB -0.184 41.864 42.059 -0.019 0.000 0.953 583 L HN 0.071 nan 8.230 nan 0.000 0.454 584 K N -1.087 119.414 120.400 0.168 0.000 2.439 584 K HA 0.001 4.320 4.320 -0.003 0.000 0.197 584 K C -0.169 176.335 176.600 -0.161 0.000 1.041 584 K CA 0.471 56.759 56.287 0.002 0.000 0.970 584 K CB -0.108 32.326 32.500 -0.109 0.000 0.773 584 K HN 0.409 nan 8.250 nan 0.000 0.479 585 H N 0.253 119.448 119.070 0.209 0.000 2.638 585 H HA 0.124 4.679 4.556 -0.003 0.000 0.303 585 H C -2.116 173.403 175.328 0.320 0.000 1.034 585 H CA -2.125 54.041 56.048 0.196 0.000 1.225 585 H CB 1.647 31.492 29.762 0.140 0.000 1.394 585 H HN -0.119 nan 8.280 nan 0.000 0.477 586 P HA -0.157 nan 4.420 nan 0.000 0.218 586 P C 1.398 178.880 177.300 0.303 0.000 1.148 586 P CA 1.234 64.445 63.100 0.184 0.000 0.822 586 P CB 0.414 32.126 31.700 0.020 0.000 0.784 587 K N -0.704 119.850 120.400 0.257 0.000 2.362 587 K HA 0.040 4.359 4.320 -0.003 0.000 0.200 587 K C 1.907 178.660 176.600 0.254 0.000 1.046 587 K CA 1.145 57.562 56.287 0.217 0.000 0.952 587 K CB -0.426 32.160 32.500 0.142 0.000 0.753 587 K HN 0.103 nan 8.250 nan 0.000 0.466 588 A N 0.471 123.486 122.820 0.325 0.000 2.119 588 A HA -0.106 4.213 4.320 -0.003 0.000 0.217 588 A C 1.557 179.311 177.584 0.283 0.000 1.153 588 A CA 0.674 52.863 52.037 0.253 0.000 0.692 588 A CB -0.413 18.709 19.000 0.203 0.000 0.799 588 A HN 0.158 nan 8.150 nan 0.000 0.458 589 Y N 0.531 120.922 120.300 0.151 0.000 2.081 589 Y HA -0.150 4.398 4.550 -0.003 0.000 0.280 589 Y C -0.169 175.892 175.900 0.268 0.000 1.163 589 Y CA 2.223 60.429 58.100 0.176 0.000 1.135 589 Y CB -1.819 36.682 38.460 0.069 0.000 0.970 589 Y HN 0.282 nan 8.280 nan 0.000 0.498 590 P HA -0.175 nan 4.420 nan 0.000 0.215 590 P C 1.242 178.828 177.300 0.478 0.000 1.153 590 P CA 2.168 65.478 63.100 0.352 0.000 0.853 590 P CB -0.031 31.836 31.700 0.279 0.000 0.788 591 K N -1.124 119.449 120.400 0.289 0.000 2.217 591 K HA -0.043 4.275 4.320 -0.003 0.000 0.202 591 K C 1.938 178.626 176.600 0.146 0.000 1.051 591 K CA 0.806 57.214 56.287 0.201 0.000 0.952 591 K CB -0.771 31.807 32.500 0.130 0.000 0.736 591 K HN 0.142 nan 8.250 nan 0.000 0.453 592 L N 0.145 121.410 121.223 0.070 0.000 2.095 592 L HA 0.010 4.348 4.340 -0.003 0.000 0.204 592 L C 1.658 178.424 176.870 -0.173 0.000 1.080 592 L CA 1.540 56.292 54.840 -0.147 0.000 0.759 592 L CB -0.328 41.470 42.059 -0.436 0.000 0.914 592 L HN -0.043 nan 8.230 nan 0.000 0.439 593 F N -1.015 119.067 119.950 0.220 0.000 2.780 593 F HA 0.062 4.588 4.527 -0.003 0.000 0.299 593 F C 2.290 178.401 175.800 0.518 0.000 1.146 593 F CA 0.606 58.836 58.000 0.382 0.000 1.428 593 F CB -0.340 38.943 39.000 0.472 0.000 1.115 593 F HN 0.017 nan 8.300 nan 0.000 0.583 594 S N -0.904 115.087 115.700 0.485 0.000 2.425 594 S HA -0.105 4.363 4.470 -0.003 0.000 0.225 594 S C 2.071 176.752 174.600 0.135 0.000 1.024 594 S CA 0.957 59.319 58.200 0.271 0.000 0.951 594 S CB -0.192 63.097 63.200 0.148 0.000 0.796 594 S HN 0.221 nan 8.310 nan 0.000 0.498 595 S N 1.235 116.976 115.700 0.068 0.000 2.547 595 S HA 0.068 4.536 4.470 -0.003 0.000 0.235 595 S C 0.667 175.124 174.600 -0.237 0.000 0.980 595 S CA 0.129 58.309 58.200 -0.034 0.000 0.941 595 S CB -0.157 63.062 63.200 0.030 0.000 0.763 595 S HN 0.215 nan 8.310 nan 0.000 0.532 596 V N 2.692 122.408 119.914 -0.330 0.000 2.637 596 V HA 0.075 4.194 4.120 -0.003 0.000 0.296 596 V C 0.339 175.985 176.094 -0.748 0.000 1.046 596 V CA -0.114 61.692 62.300 -0.825 0.000 1.066 596 V CB 0.801 31.915 31.823 -1.183 0.000 0.968 596 V HN 0.257 nan 8.190 nan 0.000 0.483 597 K N 4.818 124.747 120.400 -0.786 0.000 2.219 597 K HA 0.144 4.462 4.320 -0.003 0.000 0.280 597 K C 0.001 176.305 176.600 -0.493 0.000 1.104 597 K CA 0.076 56.069 56.287 -0.490 0.000 0.925 597 K CB 0.364 32.614 32.500 -0.417 0.000 1.261 597 K HN 0.677 nan 8.250 nan 0.000 0.445 598 W N 1.167 122.333 121.300 -0.223 0.000 2.595 598 W HA 0.011 4.669 4.660 -0.003 0.000 0.257 598 W C 1.816 178.158 176.519 -0.295 0.000 1.267 598 W CA 0.001 57.177 57.345 -0.281 0.000 1.300 598 W CB 0.253 29.488 29.460 -0.375 0.000 1.120 598 W HN 0.686 nan 8.180 nan 0.000 0.618 599 G N -0.168 108.598 108.800 -0.057 0.000 3.124 599 G HA2 0.017 3.975 3.960 -0.003 0.000 0.212 599 G HA3 0.017 3.975 3.960 -0.003 0.000 0.212 599 G C 0.312 175.156 174.900 -0.093 0.000 1.181 599 G CA -0.170 44.884 45.100 -0.077 0.000 0.803 599 G HN 0.152 nan 8.290 nan 0.000 0.529 600 Q N -0.735 118.986 119.800 -0.133 0.000 2.340 600 Q HA 0.261 4.599 4.340 -0.003 0.000 0.268 600 Q C 0.764 176.685 176.000 -0.131 0.000 1.031 600 Q CA -0.641 55.084 55.803 -0.129 0.000 0.804 600 Q CB 2.085 30.725 28.738 -0.163 0.000 1.286 600 Q HN 0.186 nan 8.270 nan 0.000 0.448 601 Q N 2.371 122.119 119.800 -0.087 0.000 2.046 601 Q HA -0.197 4.141 4.340 -0.003 0.000 0.200 601 Q C 1.006 176.951 176.000 -0.092 0.000 0.975 601 Q CA 2.055 57.814 55.803 -0.074 0.000 0.836 601 Q CB 0.203 28.920 28.738 -0.034 0.000 0.896 601 Q HN 0.732 nan 8.270 nan 0.000 0.428 602 E N -0.391 119.765 120.200 -0.074 0.000 2.118 602 E HA -0.155 4.194 4.350 -0.003 0.000 0.195 602 E C 1.886 178.444 176.600 -0.070 0.000 0.992 602 E CA 1.291 57.658 56.400 -0.054 0.000 0.804 602 E CB -0.089 29.594 29.700 -0.029 0.000 0.741 602 E HN 0.464 nan 8.360 nan 0.000 0.458 603 I N -0.242 120.244 120.570 -0.139 0.000 2.716 603 I HA -0.182 3.987 4.170 -0.003 0.000 0.259 603 I C 2.006 177.948 176.117 -0.291 0.000 1.172 603 I CA 0.229 61.409 61.300 -0.200 0.000 1.478 603 I CB 0.288 38.037 38.000 -0.418 0.000 1.104 603 I HN -0.017 nan 8.210 nan 0.000 0.439 604 V N 0.862 120.574 119.914 -0.338 0.000 2.343 604 V HA -0.291 3.827 4.120 -0.003 0.000 0.247 604 V C 2.638 178.449 176.094 -0.471 0.000 1.051 604 V CA 2.003 64.040 62.300 -0.437 0.000 1.036 604 V CB -0.916 30.706 31.823 -0.335 0.000 0.654 604 V HN 0.498 nan 8.190 nan 0.000 0.451 605 A N -0.823 121.825 122.820 -0.286 0.000 2.019 605 A HA -0.191 4.128 4.320 -0.003 0.000 0.219 605 A C 2.281 179.854 177.584 -0.019 0.000 1.164 605 A CA 1.552 53.495 52.037 -0.157 0.000 0.644 605 A CB -0.348 18.618 19.000 -0.056 0.000 0.805 605 A HN 0.521 nan 8.150 nan 0.000 0.449 606 K N -0.981 119.426 120.400 0.012 0.000 2.228 606 K HA -0.037 4.281 4.320 -0.003 0.000 0.202 606 K C 1.828 178.504 176.600 0.126 0.000 1.051 606 K CA 1.408 57.754 56.287 0.099 0.000 0.960 606 K CB -0.173 32.440 32.500 0.189 0.000 0.743 606 K HN 0.460 nan 8.250 nan 0.000 0.458 607 T N 0.505 115.134 114.554 0.126 0.000 2.867 607 T HA -0.098 4.251 4.350 -0.003 0.000 0.268 607 T C 1.616 176.531 174.700 0.358 0.000 1.057 607 T CA 1.021 63.238 62.100 0.195 0.000 1.136 607 T CB -0.217 68.681 68.868 0.050 0.000 0.874 607 T HN 0.320 nan 8.240 nan 0.000 0.466 608 Y N 1.190 121.571 120.300 0.135 0.000 2.395 608 Y HA -0.042 4.506 4.550 -0.003 0.000 0.293 608 Y C 2.896 178.854 175.900 0.097 0.000 1.123 608 Y CA 0.110 58.285 58.100 0.125 0.000 1.227 608 Y CB -0.095 38.434 38.460 0.116 0.000 1.012 608 Y HN 0.260 nan 8.280 nan 0.000 0.552 609 Q N 0.327 120.270 119.800 0.239 0.000 2.124 609 Q HA -0.193 4.145 4.340 -0.003 0.000 0.202 609 Q C 2.329 178.415 176.000 0.143 0.000 0.977 609 Q CA 1.054 56.955 55.803 0.163 0.000 0.850 609 Q CB -0.008 28.808 28.738 0.131 0.000 0.901 609 Q HN 0.525 nan 8.270 nan 0.000 0.429 610 L N 0.316 121.599 121.223 0.100 0.000 2.005 610 L HA -0.198 4.141 4.340 -0.003 0.000 0.207 610 L C 2.190 179.113 176.870 0.089 0.000 1.072 610 L CA 1.188 56.026 54.840 -0.002 0.000 0.744 610 L CB -0.287 41.684 42.059 -0.147 0.000 0.895 610 L HN 0.325 nan 8.230 nan 0.000 0.433 611 L N -0.540 120.784 121.223 0.168 0.000 2.187 611 L HA -0.201 4.137 4.340 -0.003 0.000 0.213 611 L C 2.726 179.669 176.870 0.121 0.000 1.100 611 L CA 0.927 55.858 54.840 0.152 0.000 0.765 611 L CB -0.632 41.503 42.059 0.127 0.000 0.904 611 L HN 0.279 nan 8.230 nan 0.000 0.437 612 A N 0.744 123.637 122.820 0.123 0.000 1.930 612 A HA -0.137 4.181 4.320 -0.003 0.000 0.217 612 A C 1.525 179.175 177.584 0.110 0.000 1.175 612 A CA 0.855 52.955 52.037 0.104 0.000 0.627 612 A CB -0.360 18.702 19.000 0.104 0.000 0.815 612 A HN 0.487 nan 8.150 nan 0.000 0.443 613 R N -0.201 120.376 120.500 0.128 0.000 3.171 613 R HA 0.369 4.707 4.340 -0.003 0.000 0.241 613 R C -0.305 176.092 176.300 0.162 0.000 1.421 613 R CA -0.310 55.870 56.100 0.133 0.000 1.444 613 R CB -0.049 30.334 30.300 0.139 0.000 1.247 613 R HN 0.235 nan 8.270 nan 0.000 0.636 614 R N 1.657 122.260 120.500 0.171 0.000 3.039 614 R HA 0.078 4.416 4.340 -0.003 0.000 0.336 614 R C 0.184 176.623 176.300 0.231 0.000 1.258 614 R CA -0.081 56.164 56.100 0.241 0.000 1.125 614 R CB 0.348 30.795 30.300 0.245 0.000 1.427 614 R HN 0.610 nan 8.270 nan 0.000 0.588 615 E N -0.572 119.732 120.200 0.173 0.000 2.150 615 E HA -0.126 4.222 4.350 -0.003 0.000 0.193 615 E C 1.469 178.139 176.600 0.116 0.000 0.985 615 E CA 1.055 57.528 56.400 0.122 0.000 0.814 615 E CB 0.329 30.081 29.700 0.088 0.000 0.752 615 E HN 0.143 nan 8.360 nan 0.000 0.466 616 V N 0.998 121.004 119.914 0.154 0.000 2.446 616 V HA -0.148 3.971 4.120 -0.003 0.000 0.244 616 V C 1.942 178.102 176.094 0.110 0.000 1.039 616 V CA 1.038 63.406 62.300 0.112 0.000 1.045 616 V CB -0.555 31.337 31.823 0.116 0.000 0.681 616 V HN 0.506 nan 8.190 nan 0.000 0.459 617 W N 1.523 122.812 121.300 -0.019 0.000 2.358 617 W HA -0.195 4.463 4.660 -0.003 0.000 0.303 617 W C 1.953 178.418 176.519 -0.091 0.000 1.208 617 W CA 2.081 59.342 57.345 -0.140 0.000 1.274 617 W CB -0.173 29.202 29.460 -0.142 0.000 1.138 617 W HN 0.340 nan 8.180 nan 0.000 0.515 618 D N 0.102 120.544 120.400 0.070 0.000 2.117 618 D HA -0.197 4.441 4.640 -0.003 0.000 0.197 618 D C 2.045 178.277 176.300 -0.113 0.000 0.987 618 D CA 1.626 55.608 54.000 -0.030 0.000 0.829 618 D CB -0.612 40.232 40.800 0.074 0.000 0.961 618 D HN 0.330 nan 8.370 nan 0.000 0.460 619 Q N 0.340 120.097 119.800 -0.072 0.000 2.432 619 Q HA 0.027 4.365 4.340 -0.003 0.000 0.205 619 Q C 0.595 176.519 176.000 -0.127 0.000 0.945 619 Q CA 0.004 55.760 55.803 -0.078 0.000 0.924 619 Q CB 0.304 29.021 28.738 -0.036 0.000 1.016 619 Q HN 0.177 nan 8.270 nan 0.000 0.503 620 S N -0.223 115.359 115.700 -0.197 0.000 2.593 620 S HA 0.478 4.946 4.470 -0.003 0.000 0.269 620 S C 0.223 174.673 174.600 -0.249 0.000 1.334 620 S CA -0.610 57.456 58.200 -0.224 0.000 1.015 620 S CB 1.159 64.181 63.200 -0.295 0.000 0.912 620 S HN 0.229 nan 8.310 nan 0.000 0.541 621 A N 1.473 124.175 122.820 -0.196 0.000 2.407 621 A HA 0.476 4.794 4.320 -0.003 0.000 0.248 621 A C 0.091 177.536 177.584 -0.232 0.000 1.082 621 A CA -0.664 51.269 52.037 -0.174 0.000 0.785 621 A CB -0.167 18.762 19.000 -0.118 0.000 1.020 621 A HN 1.113 nan 8.150 nan 0.000 0.489 622 L N 1.659 122.761 121.223 -0.202 0.000 2.455 622 L HA 0.272 4.610 4.340 -0.003 0.000 0.272 622 L C -0.292 176.473 176.870 -0.176 0.000 1.174 622 L CA 0.476 55.183 54.840 -0.223 0.000 0.869 622 L CB 0.377 42.342 42.059 -0.157 0.000 1.130 622 L HN 0.647 nan 8.230 nan 0.000 0.474 623 D N 3.859 124.140 120.400 -0.199 0.000 2.471 623 D HA 0.180 4.818 4.640 -0.003 0.000 0.245 623 D C 0.753 176.975 176.300 -0.131 0.000 1.116 623 D CA -0.352 53.570 54.000 -0.130 0.000 0.853 623 D CB 1.868 42.602 40.800 -0.110 0.000 1.123 623 D HN 0.459 nan 8.370 nan 0.000 0.540 624 V N 3.720 123.550 119.914 -0.140 0.000 2.379 624 V HA -0.060 4.059 4.120 -0.003 0.000 0.245 624 V C 2.465 178.445 176.094 -0.191 0.000 1.044 624 V CA 1.991 64.144 62.300 -0.245 0.000 1.036 624 V CB -0.459 31.085 31.823 -0.465 0.000 0.664 624 V HN 0.698 nan 8.190 nan 0.000 0.453 625 G N -0.451 108.285 108.800 -0.108 0.000 2.418 625 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.217 625 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.217 625 G C 1.632 176.522 174.900 -0.017 0.000 1.158 625 G CA 0.850 45.921 45.100 -0.049 0.000 0.771 625 G HN 0.407 nan 8.290 nan 0.000 0.545 626 L N 0.583 121.803 121.223 -0.005 0.000 2.046 626 L HA -0.093 4.245 4.340 -0.003 0.000 0.208 626 L C 3.053 179.960 176.870 0.063 0.000 1.077 626 L CA 1.983 56.854 54.840 0.051 0.000 0.747 626 L CB -0.619 41.477 42.059 0.061 0.000 0.896 626 L HN 0.251 nan 8.230 nan 0.000 0.432 627 T N -0.184 114.378 114.554 0.013 0.000 2.746 627 T HA -0.203 4.146 4.350 -0.003 0.000 0.267 627 T C 1.965 176.645 174.700 -0.033 0.000 1.039 627 T CA 1.277 63.383 62.100 0.009 0.000 1.142 627 T CB -0.103 68.720 68.868 -0.074 0.000 0.866 627 T HN 0.181 nan 8.240 nan 0.000 0.444 628 M N 1.353 120.920 119.600 -0.056 0.000 2.159 628 M HA -0.065 4.413 4.480 -0.003 0.000 0.263 628 M C 2.345 178.643 176.300 -0.002 0.000 1.063 628 M CA 1.385 56.664 55.300 -0.036 0.000 1.110 628 M CB -1.219 31.353 32.600 -0.047 0.000 1.374 628 M HN 0.364 nan 8.290 nan 0.000 0.411 629 Q N 0.060 119.866 119.800 0.011 0.000 2.135 629 Q HA -0.139 4.199 4.340 -0.003 0.000 0.204 629 Q C 2.040 178.058 176.000 0.029 0.000 0.981 629 Q CA 1.174 57.013 55.803 0.059 0.000 0.856 629 Q CB -0.242 28.548 28.738 0.087 0.000 0.902 629 Q HN 0.503 nan 8.270 nan 0.000 0.425 630 L N 0.057 121.186 121.223 -0.157 0.000 2.478 630 L HA -0.051 4.287 4.340 -0.003 0.000 0.223 630 L C 1.542 178.295 176.870 -0.195 0.000 1.140 630 L CA 0.310 54.867 54.840 -0.471 0.000 0.842 630 L CB 0.031 41.831 42.059 -0.432 0.000 0.953 630 L HN 0.214 nan 8.230 nan 0.000 0.452 631 L N -0.276 120.923 121.223 -0.040 0.000 2.628 631 L HA 0.087 4.425 4.340 -0.003 0.000 0.229 631 L C 0.568 177.483 176.870 0.076 0.000 1.137 631 L CA -0.471 54.392 54.840 0.039 0.000 0.909 631 L CB -0.471 41.617 42.059 0.047 0.000 1.137 631 L HN 0.274 nan 8.230 nan 0.000 0.470 632 D N -0.854 119.546 120.400 0.000 0.000 2.478 632 D HA -0.026 4.612 4.640 -0.003 0.000 0.269 632 D C 1.512 177.499 176.300 -0.521 0.000 1.232 632 D CA -0.385 53.378 54.000 -0.396 0.000 1.059 632 D CB 0.560 41.175 40.800 -0.309 0.000 1.104 632 D HN 0.136 nan 8.370 nan 0.000 0.566 633 C N -0.891 117.791 119.300 -1.030 0.000 2.419 633 C HA -0.027 4.431 4.460 -0.003 0.000 0.283 633 C C 1.619 176.408 174.990 -0.335 0.000 1.373 633 C CA 0.343 59.025 59.018 -0.560 0.000 1.781 633 C CB -1.878 25.579 27.740 -0.472 0.000 1.886 633 C HN 0.554 nan 8.230 nan 0.000 0.520 634 N N -0.289 118.178 118.700 -0.388 0.000 2.571 634 N HA 0.170 4.908 4.740 -0.003 0.000 0.189 634 N C -0.523 174.444 175.510 -0.904 0.000 1.154 634 N CA 0.645 53.334 53.050 -0.601 0.000 0.907 634 N CB -0.107 37.941 38.487 -0.730 0.000 0.977 634 N HN 0.617 nan 8.380 nan 0.000 0.449 635 F N -1.037 118.800 119.950 -0.188 0.000 2.539 635 F HA 0.365 4.890 4.527 -0.003 0.000 0.328 635 F C 0.399 176.024 175.800 -0.292 0.000 1.148 635 F CA -0.819 57.047 58.000 -0.223 0.000 0.940 635 F CB 1.965 40.879 39.000 -0.143 0.000 1.194 635 F HN -0.193 nan 8.300 nan 0.000 0.438 636 S N 0.149 115.641 115.700 -0.347 0.000 2.603 636 S HA 0.029 4.497 4.470 -0.003 0.000 0.232 636 S C -0.295 174.120 174.600 -0.309 0.000 1.016 636 S CA -0.413 57.553 58.200 -0.391 0.000 0.976 636 S CB -0.118 62.663 63.200 -0.699 0.000 0.921 636 S HN 0.657 nan 8.310 nan 0.000 0.516 637 D N 2.538 122.750 120.400 -0.312 0.000 2.312 637 D HA 0.093 4.731 4.640 -0.003 0.000 0.252 637 D C 1.311 177.579 176.300 -0.052 0.000 1.150 637 D CA -0.134 53.767 54.000 -0.165 0.000 0.870 637 D CB 0.742 41.342 40.800 -0.333 0.000 1.153 637 D HN 0.272 nan 8.370 nan 0.000 0.457 638 E N 3.480 123.689 120.200 0.015 0.000 2.150 638 E HA -0.257 4.091 4.350 -0.003 0.000 0.193 638 E C 0.480 177.055 176.600 -0.043 0.000 0.985 638 E CA 0.896 57.294 56.400 -0.003 0.000 0.814 638 E CB 0.039 29.739 29.700 0.001 0.000 0.752 638 E HN 0.449 nan 8.360 nan 0.000 0.466 639 N N 0.779 119.439 118.700 -0.066 0.000 2.333 639 N HA -0.061 4.677 4.740 -0.003 0.000 0.178 639 N C 2.065 177.474 175.510 -0.170 0.000 1.018 639 N CA 0.985 53.950 53.050 -0.141 0.000 0.882 639 N CB 0.033 38.339 38.487 -0.302 0.000 0.984 639 N HN 0.071 nan 8.380 nan 0.000 0.434 640 V N 2.135 121.947 119.914 -0.170 0.000 2.287 640 V HA -0.210 3.909 4.120 -0.003 0.000 0.248 640 V C 2.314 178.221 176.094 -0.311 0.000 1.053 640 V CA 1.620 63.693 62.300 -0.378 0.000 1.027 640 V CB -0.424 31.184 31.823 -0.358 0.000 0.646 640 V HN 0.260 nan 8.190 nan 0.000 0.447 641 R N 0.075 120.466 120.500 -0.181 0.000 2.148 641 R HA -0.033 4.305 4.340 -0.003 0.000 0.227 641 R C 2.295 178.540 176.300 -0.091 0.000 1.103 641 R CA 1.239 57.264 56.100 -0.124 0.000 0.983 641 R CB -0.462 29.806 30.300 -0.052 0.000 0.874 641 R HN 0.542 nan 8.270 nan 0.000 0.451 642 A N 1.636 124.406 122.820 -0.084 0.000 2.016 642 A HA -0.068 4.250 4.320 -0.003 0.000 0.217 642 A C 2.150 179.717 177.584 -0.028 0.000 1.162 642 A CA 0.830 52.840 52.037 -0.045 0.000 0.662 642 A CB -0.431 18.547 19.000 -0.036 0.000 0.812 642 A HN 0.426 nan 8.150 nan 0.000 0.450 643 I N -3.167 117.362 120.570 -0.068 0.000 2.546 643 I HA 0.058 4.227 4.170 -0.003 0.000 0.255 643 I C 2.228 178.463 176.117 0.195 0.000 1.163 643 I CA 1.172 62.489 61.300 0.027 0.000 1.457 643 I CB -0.313 37.560 38.000 -0.212 0.000 1.092 643 I HN 0.123 nan 8.210 nan 0.000 0.434 644 A N 1.515 124.365 122.820 0.050 0.000 1.872 644 A HA -0.017 4.302 4.320 -0.003 0.000 0.214 644 A C 2.375 179.955 177.584 -0.005 0.000 1.187 644 A CA 1.742 53.839 52.037 0.099 0.000 0.614 644 A CB -1.047 17.938 19.000 -0.025 0.000 0.826 644 A HN 0.295 nan 8.150 nan 0.000 0.442 645 V N 0.794 120.665 119.914 -0.071 0.000 2.490 645 V HA -0.328 3.790 4.120 -0.003 0.000 0.250 645 V C 2.723 178.718 176.094 -0.165 0.000 1.061 645 V CA 2.251 64.439 62.300 -0.186 0.000 1.064 645 V CB -0.917 30.828 31.823 -0.130 0.000 0.670 645 V HN 0.820 nan 8.190 nan 0.000 0.461 646 Q N 0.434 120.216 119.800 -0.030 0.000 2.045 646 Q HA -0.333 4.005 4.340 -0.003 0.000 0.206 646 Q C 2.257 178.233 176.000 -0.041 0.000 0.991 646 Q CA 2.216 58.023 55.803 0.007 0.000 0.851 646 Q CB -0.150 28.642 28.738 0.089 0.000 0.911 646 Q HN 0.430 nan 8.270 nan 0.000 0.418 647 K N 0.432 120.802 120.400 -0.050 0.000 2.152 647 K HA -0.060 4.258 4.320 -0.003 0.000 0.206 647 K C 1.957 178.466 176.600 -0.151 0.000 1.048 647 K CA 1.075 57.273 56.287 -0.148 0.000 0.933 647 K CB -0.204 32.165 32.500 -0.219 0.000 0.721 647 K HN 0.314 nan 8.250 nan 0.000 0.447 648 L N 0.609 121.703 121.223 -0.214 0.000 2.217 648 L HA -0.115 4.223 4.340 -0.003 0.000 0.211 648 L C 1.761 178.560 176.870 -0.119 0.000 1.107 648 L CA 0.921 55.586 54.840 -0.292 0.000 0.783 648 L CB -0.351 41.275 42.059 -0.723 0.000 0.919 648 L HN 0.207 nan 8.230 nan 0.000 0.442 649 E N -0.048 120.124 120.200 -0.046 0.000 2.401 649 E HA -0.174 4.174 4.350 -0.003 0.000 0.199 649 E C 2.095 178.789 176.600 0.157 0.000 1.023 649 E CA 1.357 57.888 56.400 0.218 0.000 0.859 649 E CB -0.056 29.746 29.700 0.170 0.000 0.780 649 E HN 0.493 nan 8.360 nan 0.000 0.523 650 S N 0.140 115.880 115.700 0.067 0.000 2.575 650 S HA 0.062 4.530 4.470 -0.003 0.000 0.215 650 S C 0.875 175.513 174.600 0.064 0.000 0.966 650 S CA -0.329 57.897 58.200 0.044 0.000 0.911 650 S CB -0.172 63.020 63.200 -0.014 0.000 0.780 650 S HN 0.045 nan 8.310 nan 0.000 0.514 651 L N 3.102 124.392 121.223 0.110 0.000 2.410 651 L HA 0.283 4.621 4.340 -0.003 0.000 0.273 651 L C 0.745 177.704 176.870 0.149 0.000 1.152 651 L CA -0.467 54.457 54.840 0.140 0.000 0.855 651 L CB 0.576 42.765 42.059 0.217 0.000 1.129 651 L HN 0.483 nan 8.230 nan 0.000 0.463 652 E N 1.765 122.037 120.200 0.121 0.000 2.351 652 E HA 0.091 4.440 4.350 -0.003 0.000 0.255 652 E C -0.335 176.350 176.600 0.141 0.000 1.188 652 E CA -0.850 55.618 56.400 0.113 0.000 0.940 652 E CB 0.842 30.594 29.700 0.087 0.000 1.094 652 E HN 0.451 nan 8.360 nan 0.000 0.474 653 D N 0.371 120.850 120.400 0.132 0.000 2.178 653 D HA -0.167 4.471 4.640 -0.003 0.000 0.202 653 D C 1.293 177.703 176.300 0.183 0.000 0.974 653 D CA 1.224 55.304 54.000 0.134 0.000 0.841 653 D CB -0.314 40.551 40.800 0.110 0.000 0.953 653 D HN 0.559 nan 8.370 nan 0.000 0.478 654 D N 0.987 121.529 120.400 0.236 0.000 2.116 654 D HA -0.172 4.467 4.640 -0.003 0.000 0.193 654 D C 1.400 177.903 176.300 0.337 0.000 0.998 654 D CA 1.251 55.448 54.000 0.328 0.000 0.836 654 D CB 0.029 40.970 40.800 0.236 0.000 0.951 654 D HN -0.001 nan 8.370 nan 0.000 0.449 655 D N -0.849 119.681 120.400 0.218 0.000 2.194 655 D HA -0.051 4.587 4.640 -0.003 0.000 0.204 655 D C 2.310 178.782 176.300 0.287 0.000 0.964 655 D CA 0.260 54.380 54.000 0.201 0.000 0.846 655 D CB 0.016 40.933 40.800 0.194 0.000 0.962 655 D HN 0.141 nan 8.370 nan 0.000 0.490 656 V N 1.357 121.428 119.914 0.261 0.000 2.255 656 V HA -0.234 3.884 4.120 -0.003 0.000 0.247 656 V C 2.670 178.884 176.094 0.200 0.000 1.051 656 V CA 1.221 63.681 62.300 0.267 0.000 1.018 656 V CB -0.507 31.429 31.823 0.187 0.000 0.641 656 V HN 0.190 nan 8.190 nan 0.000 0.445 657 L N -0.914 120.383 121.223 0.125 0.000 2.187 657 L HA -0.226 4.112 4.340 -0.003 0.000 0.213 657 L C 2.463 179.286 176.870 -0.079 0.000 1.100 657 L CA 1.512 56.358 54.840 0.009 0.000 0.765 657 L CB -0.681 41.335 42.059 -0.072 0.000 0.904 657 L HN 0.429 nan 8.230 nan 0.000 0.437 658 H N -1.916 117.059 119.070 -0.160 0.000 2.389 658 H HA -0.119 4.435 4.556 -0.003 0.000 0.299 658 H C 1.053 176.086 175.328 -0.491 0.000 1.081 658 H CA 1.765 57.562 56.048 -0.419 0.000 1.345 658 H CB 0.054 29.383 29.762 -0.721 0.000 1.393 658 H HN 0.333 nan 8.280 nan 0.000 0.520 659 Y N -1.229 119.161 120.300 0.151 0.000 2.531 659 Y HA 0.099 4.647 4.550 -0.003 0.000 0.249 659 Y C 1.618 177.574 175.900 0.092 0.000 1.168 659 Y CA -0.430 57.725 58.100 0.093 0.000 1.226 659 Y CB 0.440 38.957 38.460 0.095 0.000 1.177 659 Y HN 0.082 nan 8.280 nan 0.000 0.527 660 L N 0.436 121.791 121.223 0.220 0.000 2.012 660 L HA -0.208 4.130 4.340 -0.003 0.000 0.210 660 L C 2.182 179.175 176.870 0.205 0.000 1.073 660 L CA 1.661 56.655 54.840 0.257 0.000 0.748 660 L CB -0.670 41.569 42.059 0.300 0.000 0.891 660 L HN 0.346 nan 8.230 nan 0.000 0.431 661 L N -0.680 120.559 121.223 0.027 0.000 2.042 661 L HA -0.238 4.101 4.340 -0.003 0.000 0.210 661 L C 2.419 179.148 176.870 -0.235 0.000 1.076 661 L CA 1.885 56.437 54.840 -0.480 0.000 0.749 661 L CB -0.729 40.819 42.059 -0.851 0.000 0.893 661 L HN 0.426 nan 8.230 nan 0.000 0.432 662 Q N -1.082 118.672 119.800 -0.077 0.000 2.187 662 Q HA -0.025 4.313 4.340 -0.003 0.000 0.199 662 Q C 2.180 178.206 176.000 0.043 0.000 0.957 662 Q CA 1.280 57.075 55.803 -0.013 0.000 0.857 662 Q CB -0.082 28.688 28.738 0.053 0.000 0.929 662 Q HN 0.558 nan 8.270 nan 0.000 0.453 663 L N -0.897 120.384 121.223 0.097 0.000 2.141 663 L HA -0.134 4.204 4.340 -0.003 0.000 0.209 663 L C 2.044 178.977 176.870 0.105 0.000 1.094 663 L CA 0.526 55.441 54.840 0.126 0.000 0.763 663 L CB -0.245 41.936 42.059 0.203 0.000 0.908 663 L HN 0.102 nan 8.230 nan 0.000 0.437 664 V N -0.702 119.253 119.914 0.067 0.000 2.358 664 V HA -0.220 3.898 4.120 -0.003 0.000 0.246 664 V C 2.496 178.583 176.094 -0.012 0.000 1.047 664 V CA 1.359 63.677 62.300 0.030 0.000 1.035 664 V CB -0.437 31.371 31.823 -0.026 0.000 0.658 664 V HN 0.466 nan 8.190 nan 0.000 0.452 665 Q N 0.050 119.796 119.800 -0.090 0.000 2.224 665 Q HA -0.056 4.282 4.340 -0.003 0.000 0.203 665 Q C 2.341 178.213 176.000 -0.214 0.000 0.970 665 Q CA 1.601 57.317 55.803 -0.146 0.000 0.865 665 Q CB -0.562 28.072 28.738 -0.172 0.000 0.922 665 Q HN 0.646 nan 8.270 nan 0.000 0.445 666 A N 0.475 123.255 122.820 -0.066 0.000 2.121 666 A HA -0.045 4.274 4.320 -0.003 0.000 0.218 666 A C 2.285 179.843 177.584 -0.043 0.000 1.154 666 A CA 0.628 52.677 52.037 0.019 0.000 0.679 666 A CB -0.355 18.760 19.000 0.192 0.000 0.795 666 A HN 0.180 nan 8.150 nan 0.000 0.458 667 V N 0.090 119.985 119.914 -0.033 0.000 2.720 667 V HA -0.257 3.861 4.120 -0.003 0.000 0.256 667 V C 2.273 178.188 176.094 -0.298 0.000 1.082 667 V CA 2.158 64.433 62.300 -0.043 0.000 1.101 667 V CB -0.629 31.273 31.823 0.132 0.000 0.693 667 V HN 0.578 nan 8.190 nan 0.000 0.479 668 K N -0.387 119.657 120.400 -0.595 0.000 2.209 668 K HA -0.095 4.223 4.320 -0.003 0.000 0.204 668 K C 1.684 177.901 176.600 -0.637 0.000 1.048 668 K CA 1.433 57.074 56.287 -1.076 0.000 0.940 668 K CB -0.217 31.487 32.500 -1.326 0.000 0.729 668 K HN 0.515 nan 8.250 nan 0.000 0.451 669 F N 1.392 121.242 119.950 -0.166 0.000 2.797 669 F HA 0.053 4.578 4.527 -0.003 0.000 0.302 669 F C 0.673 176.435 175.800 -0.064 0.000 1.130 669 F CA -0.313 57.635 58.000 -0.086 0.000 1.387 669 F CB 0.230 39.196 39.000 -0.057 0.000 1.107 669 F HN -0.181 nan 8.300 nan 0.000 0.577 670 E N 2.453 122.693 120.200 0.067 0.000 2.324 670 E HA 0.035 4.383 4.350 -0.003 0.000 0.271 670 E C -1.489 175.115 176.600 0.006 0.000 1.028 670 E CA -1.474 54.958 56.400 0.053 0.000 0.890 670 E CB 0.733 30.468 29.700 0.058 0.000 1.004 670 E HN 0.050 nan 8.360 nan 0.000 0.431 671 P HA -0.122 nan 4.420 nan 0.000 0.218 671 P C -0.262 176.771 177.300 -0.445 0.000 1.149 671 P CA 1.396 64.361 63.100 -0.225 0.000 0.817 671 P CB 0.152 31.721 31.700 -0.218 0.000 0.785 672 Y N -2.460 117.784 120.300 -0.094 0.000 2.485 672 Y HA 0.284 4.833 4.550 -0.003 0.000 0.345 672 Y C 2.020 177.885 175.900 -0.058 0.000 0.998 672 Y CA -0.810 57.202 58.100 -0.146 0.000 1.059 672 Y CB 0.882 39.288 38.460 -0.089 0.000 1.234 672 Y HN -0.171 nan 8.280 nan 0.000 0.461 673 H N -0.599 118.548 119.070 0.128 0.000 2.353 673 H HA -0.113 4.441 4.556 -0.003 0.000 0.300 673 H C 0.074 175.459 175.328 0.094 0.000 1.090 673 H CA 1.350 57.434 56.048 0.061 0.000 1.327 673 H CB 0.064 29.840 29.762 0.024 0.000 1.383 673 H HN 0.521 nan 8.280 nan 0.000 0.508 674 D N 1.293 121.848 120.400 0.260 0.000 2.295 674 D HA 0.192 4.830 4.640 -0.003 0.000 0.248 674 D C -0.310 176.085 176.300 0.158 0.000 1.154 674 D CA -0.030 54.085 54.000 0.191 0.000 0.857 674 D CB 0.693 41.615 40.800 0.204 0.000 1.117 674 D HN 0.293 nan 8.370 nan 0.000 0.468 675 S N 1.352 117.131 115.700 0.132 0.000 2.579 675 S HA 0.610 5.079 4.470 -0.003 0.000 0.272 675 S C 0.854 175.517 174.600 0.106 0.000 1.141 675 S CA -0.387 57.879 58.200 0.111 0.000 0.843 675 S CB 1.387 64.656 63.200 0.115 0.000 1.122 675 S HN 0.270 nan 8.310 nan 0.000 0.468 676 A N 0.586 123.459 122.820 0.088 0.000 1.940 676 A HA -0.032 4.286 4.320 -0.003 0.000 0.219 676 A C 1.937 179.603 177.584 0.137 0.000 1.176 676 A CA 1.840 53.935 52.037 0.096 0.000 0.631 676 A CB -0.905 18.130 19.000 0.058 0.000 0.814 676 A HN 0.994 nan 8.150 nan 0.000 0.446 677 L N -0.515 120.782 121.223 0.122 0.000 2.072 677 L HA 0.047 4.386 4.340 -0.003 0.000 0.205 677 L C 2.698 179.701 176.870 0.222 0.000 1.079 677 L CA 2.020 56.960 54.840 0.166 0.000 0.752 677 L CB -0.786 41.343 42.059 0.116 0.000 0.906 677 L HN 0.323 nan 8.230 nan 0.000 0.436 678 A N -0.211 122.710 122.820 0.168 0.000 1.917 678 A HA -0.252 4.066 4.320 -0.003 0.000 0.219 678 A C 2.405 180.081 177.584 0.153 0.000 1.182 678 A CA 2.075 54.207 52.037 0.158 0.000 0.633 678 A CB -0.583 18.497 19.000 0.134 0.000 0.819 678 A HN 0.532 nan 8.150 nan 0.000 0.448 679 R N -2.263 118.330 120.500 0.155 0.000 2.193 679 R HA 0.048 4.387 4.340 -0.003 0.000 0.213 679 R C 1.854 178.252 176.300 0.162 0.000 1.055 679 R CA 1.019 57.200 56.100 0.136 0.000 0.995 679 R CB -0.317 30.055 30.300 0.121 0.000 0.893 679 R HN 0.634 nan 8.270 nan 0.000 0.459 680 F N 1.312 121.301 119.950 0.065 0.000 2.163 680 F HA -0.066 4.459 4.527 -0.002 0.000 0.297 680 F C 1.636 177.477 175.800 0.068 0.000 1.094 680 F CA 1.270 59.308 58.000 0.063 0.000 1.290 680 F CB -0.073 38.964 39.000 0.062 0.000 1.017 680 F HN -0.145 nan 8.300 nan 0.000 0.483 681 L N -0.216 121.030 121.223 0.039 0.000 2.056 681 L HA -0.205 4.134 4.340 -0.003 0.000 0.207 681 L C 2.618 179.438 176.870 -0.083 0.000 1.078 681 L CA 0.905 55.703 54.840 -0.070 0.000 0.749 681 L CB -0.905 41.201 42.059 0.079 0.000 0.901 681 L HN 0.241 nan 8.230 nan 0.000 0.433 682 L N 0.318 121.545 121.223 0.006 0.000 2.021 682 L HA -0.320 4.018 4.340 -0.003 0.000 0.215 682 L C 2.761 179.648 176.870 0.028 0.000 1.074 682 L CA 1.892 56.762 54.840 0.049 0.000 0.760 682 L CB -0.294 41.812 42.059 0.077 0.000 0.889 682 L HN 0.337 nan 8.230 nan 0.000 0.433 683 K N -0.832 119.549 120.400 -0.033 0.000 2.026 683 K HA -0.181 4.138 4.320 -0.003 0.000 0.208 683 K C 2.154 178.700 176.600 -0.090 0.000 1.048 683 K CA 1.078 57.335 56.287 -0.049 0.000 0.929 683 K CB 0.091 32.556 32.500 -0.059 0.000 0.713 683 K HN 0.184 nan 8.250 nan 0.000 0.439 684 R N -0.589 119.778 120.500 -0.223 0.000 2.153 684 R HA 0.003 4.341 4.340 -0.003 0.000 0.218 684 R C 2.217 178.473 176.300 -0.074 0.000 1.072 684 R CA 1.196 57.165 56.100 -0.217 0.000 0.990 684 R CB -0.725 29.304 30.300 -0.451 0.000 0.889 684 R HN 0.360 nan 8.270 nan 0.000 0.452 685 G N 0.329 109.096 108.800 -0.054 0.000 2.494 685 G HA2 -0.085 3.873 3.960 -0.003 0.000 0.216 685 G HA3 -0.085 3.873 3.960 -0.003 0.000 0.216 685 G C 1.502 176.553 174.900 0.251 0.000 1.140 685 G CA -0.105 44.997 45.100 0.003 0.000 0.801 685 G HN 0.162 nan 8.290 nan 0.000 0.536 686 L N -0.381 120.982 121.223 0.233 0.000 2.240 686 L HA 0.142 4.480 4.340 -0.003 0.000 0.211 686 L C 2.795 179.742 176.870 0.128 0.000 1.106 686 L CA 0.504 55.475 54.840 0.217 0.000 0.793 686 L CB -0.123 41.995 42.059 0.097 0.000 0.927 686 L HN 0.165 nan 8.230 nan 0.000 0.446 687 R N -0.074 120.490 120.500 0.106 0.000 2.200 687 R HA -0.021 4.317 4.340 -0.003 0.000 0.208 687 R C 0.426 176.861 176.300 0.225 0.000 1.033 687 R CA 0.472 56.629 56.100 0.097 0.000 1.000 687 R CB 0.358 30.684 30.300 0.044 0.000 0.906 687 R HN 0.186 nan 8.270 nan 0.000 0.462 688 N N 0.345 119.184 118.700 0.232 0.000 2.454 688 N HA 0.085 4.824 4.740 -0.003 0.000 0.291 688 N C -0.521 175.075 175.510 0.143 0.000 1.079 688 N CA -0.271 52.891 53.050 0.187 0.000 0.893 688 N CB 1.843 40.388 38.487 0.097 0.000 1.512 688 N HN -0.087 nan 8.380 nan 0.000 0.497 689 K N 1.754 122.164 120.400 0.017 0.000 2.147 689 K HA -0.066 4.252 4.320 -0.003 0.000 0.205 689 K C 1.663 178.181 176.600 -0.137 0.000 1.049 689 K CA 0.883 57.099 56.287 -0.119 0.000 0.936 689 K CB 0.355 32.584 32.500 -0.451 0.000 0.722 689 K HN 0.474 nan 8.250 nan 0.000 0.446 690 R N 1.136 121.535 120.500 -0.168 0.000 2.070 690 R HA -0.081 4.257 4.340 -0.003 0.000 0.232 690 R C 2.258 178.563 176.300 0.008 0.000 1.138 690 R CA 1.353 57.359 56.100 -0.156 0.000 0.936 690 R CB -0.264 29.891 30.300 -0.241 0.000 0.839 690 R HN 0.086 nan 8.270 nan 0.000 0.429 691 I N 0.177 120.750 120.570 0.005 0.000 2.264 691 I HA -0.231 3.937 4.170 -0.003 0.000 0.248 691 I C 2.427 178.521 176.117 -0.039 0.000 1.111 691 I CA 1.544 62.855 61.300 0.019 0.000 1.382 691 I CB -0.552 37.446 38.000 -0.004 0.000 1.060 691 I HN 0.444 nan 8.210 nan 0.000 0.418 692 G N -0.421 108.372 108.800 -0.012 0.000 2.440 692 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.218 692 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.218 692 G C 1.488 176.350 174.900 -0.064 0.000 1.154 692 G CA 1.353 46.407 45.100 -0.078 0.000 0.767 692 G HN 0.471 nan 8.290 nan 0.000 0.552 693 H N -0.546 118.497 119.070 -0.045 0.000 2.357 693 H HA 0.074 4.628 4.556 -0.003 0.000 0.301 693 H C 2.072 177.305 175.328 -0.158 0.000 1.082 693 H CA 1.436 57.464 56.048 -0.034 0.000 1.342 693 H CB -0.224 29.336 29.762 -0.336 0.000 1.389 693 H HN 0.366 nan 8.280 nan 0.000 0.511 694 F N -0.812 119.062 119.950 -0.126 0.000 2.367 694 F HA -0.025 4.500 4.527 -0.002 0.000 0.298 694 F C 2.151 177.440 175.800 -0.851 0.000 1.094 694 F CA 0.237 57.910 58.000 -0.545 0.000 1.409 694 F CB -0.008 38.639 39.000 -0.588 0.000 1.064 694 F HN 0.221 nan 8.300 nan 0.000 0.528 695 L N -0.301 120.710 121.223 -0.353 0.000 2.046 695 L HA -0.207 4.132 4.340 -0.003 0.000 0.208 695 L C 2.171 178.817 176.870 -0.372 0.000 1.077 695 L CA 1.655 56.296 54.840 -0.331 0.000 0.747 695 L CB -1.071 40.751 42.059 -0.395 0.000 0.896 695 L HN 0.182 nan 8.230 nan 0.000 0.432 696 F N -0.723 118.854 119.950 -0.623 0.000 2.046 696 F HA -0.286 4.239 4.527 -0.003 0.000 0.297 696 F C 1.898 177.320 175.800 -0.630 0.000 1.123 696 F CA 2.172 59.732 58.000 -0.733 0.000 1.199 696 F CB -0.686 37.640 39.000 -1.124 0.000 0.972 696 F HN 0.122 nan 8.300 nan 0.000 0.474 697 W N -0.442 120.703 121.300 -0.259 0.000 2.425 697 W HA -0.085 4.573 4.660 -0.003 0.000 0.277 697 W C 2.350 178.838 176.519 -0.052 0.000 1.231 697 W CA 0.890 58.122 57.345 -0.190 0.000 1.248 697 W CB -0.672 28.744 29.460 -0.073 0.000 1.117 697 W HN 0.055 nan 8.180 nan 0.000 0.568 698 F N -0.414 119.533 119.950 -0.005 0.000 2.128 698 F HA -0.159 4.366 4.527 -0.002 0.000 0.295 698 F C 2.143 177.751 175.800 -0.320 0.000 1.100 698 F CA 0.499 58.430 58.000 -0.114 0.000 1.260 698 F CB -0.739 38.196 39.000 -0.107 0.000 1.009 698 F HN -0.228 nan 8.300 nan 0.000 0.476 699 L N 0.037 121.124 121.223 -0.227 0.000 2.056 699 L HA -0.199 4.140 4.340 -0.003 0.000 0.207 699 L C 2.555 179.188 176.870 -0.395 0.000 1.078 699 L CA 1.238 55.810 54.840 -0.446 0.000 0.749 699 L CB -0.565 41.269 42.059 -0.375 0.000 0.901 699 L HN 0.082 nan 8.230 nan 0.000 0.433 700 R N -0.268 119.963 120.500 -0.449 0.000 2.090 700 R HA -0.160 4.179 4.340 -0.003 0.000 0.228 700 R C 2.613 178.814 176.300 -0.166 0.000 1.110 700 R CA 1.367 57.213 56.100 -0.422 0.000 0.973 700 R CB -0.150 29.677 30.300 -0.787 0.000 0.869 700 R HN 0.283 nan 8.270 nan 0.000 0.440 701 S N 0.542 116.207 115.700 -0.059 0.000 2.359 701 S HA -0.192 4.276 4.470 -0.003 0.000 0.223 701 S C 1.675 176.257 174.600 -0.031 0.000 1.039 701 S CA 1.585 59.797 58.200 0.021 0.000 1.042 701 S CB -0.218 63.025 63.200 0.071 0.000 0.915 701 S HN 0.395 nan 8.310 nan 0.000 0.439 702 E N 0.871 121.001 120.200 -0.115 0.000 2.072 702 E HA -0.008 4.341 4.350 -0.003 0.000 0.191 702 E C 2.176 178.791 176.600 0.025 0.000 0.985 702 E CA 1.062 57.420 56.400 -0.070 0.000 0.801 702 E CB -0.527 29.031 29.700 -0.236 0.000 0.750 702 E HN 0.654 nan 8.360 nan 0.000 0.452 703 I N 1.228 121.784 120.570 -0.023 0.000 2.208 703 I HA -0.262 3.907 4.170 -0.003 0.000 0.245 703 I C 2.375 178.495 176.117 0.004 0.000 1.097 703 I CA 1.291 62.581 61.300 -0.016 0.000 1.363 703 I CB -0.244 37.712 38.000 -0.073 0.000 1.051 703 I HN -0.005 nan 8.210 nan 0.000 0.413 704 A N 0.011 122.837 122.820 0.010 0.000 2.066 704 A HA -0.168 4.150 4.320 -0.003 0.000 0.218 704 A C 1.969 179.590 177.584 0.062 0.000 1.157 704 A CA 1.445 53.508 52.037 0.044 0.000 0.670 704 A CB -0.343 18.685 19.000 0.047 0.000 0.804 704 A HN 0.665 nan 8.150 nan 0.000 0.453 705 Q N -1.425 118.411 119.800 0.060 0.000 2.084 705 Q HA 0.342 4.680 4.340 -0.003 0.000 0.230 705 Q C -0.302 175.749 176.000 0.085 0.000 0.806 705 Q CA 0.290 56.137 55.803 0.073 0.000 1.083 705 Q CB 0.214 28.992 28.738 0.068 0.000 1.208 705 Q HN 0.244 nan 8.270 nan 0.000 0.462 706 S N 0.487 116.244 115.700 0.094 0.000 2.620 706 S HA 0.359 4.827 4.470 -0.003 0.000 0.244 706 S C 0.461 175.121 174.600 0.101 0.000 1.192 706 S CA -0.666 57.609 58.200 0.125 0.000 1.148 706 S CB 0.858 64.157 63.200 0.165 0.000 1.106 706 S HN 0.402 nan 8.310 nan 0.000 0.474 707 R N 2.207 122.768 120.500 0.102 0.000 2.120 707 R HA -0.088 4.250 4.340 -0.003 0.000 0.234 707 R C 0.969 177.220 176.300 -0.081 0.000 1.123 707 R CA 1.547 57.692 56.100 0.074 0.000 0.975 707 R CB -0.512 29.916 30.300 0.214 0.000 0.866 707 R HN 0.730 nan 8.270 nan 0.000 0.446 708 H N -1.201 117.635 119.070 -0.389 0.000 2.421 708 H HA -0.100 4.454 4.556 -0.003 0.000 0.298 708 H C 0.565 175.443 175.328 -0.751 0.000 1.087 708 H CA 1.370 56.957 56.048 -0.768 0.000 1.330 708 H CB -0.007 29.224 29.762 -0.885 0.000 1.388 708 H HN 0.261 nan 8.280 nan 0.000 0.526 709 Y N -0.018 120.239 120.300 -0.071 0.000 2.738 709 Y HA 0.068 4.617 4.550 -0.003 0.000 0.249 709 Y C 1.827 177.607 175.900 -0.199 0.000 1.157 709 Y CA -0.421 57.556 58.100 -0.205 0.000 1.189 709 Y CB 0.484 38.763 38.460 -0.302 0.000 1.262 709 Y HN 0.232 nan 8.280 nan 0.000 0.554 710 Q N 0.393 120.152 119.800 -0.068 0.000 2.123 710 Q HA -0.181 4.158 4.340 -0.003 0.000 0.199 710 Q C 1.057 176.793 176.000 -0.440 0.000 0.966 710 Q CA 1.661 57.348 55.803 -0.194 0.000 0.845 710 Q CB -0.160 28.400 28.738 -0.297 0.000 0.907 710 Q HN 0.555 nan 8.270 nan 0.000 0.439 711 Q N 0.706 120.228 119.800 -0.463 0.000 2.079 711 Q HA -0.140 4.199 4.340 -0.003 0.000 0.200 711 Q C 2.275 178.078 176.000 -0.329 0.000 0.974 711 Q CA 1.467 57.013 55.803 -0.429 0.000 0.840 711 Q CB -0.270 28.326 28.738 -0.236 0.000 0.898 711 Q HN 0.409 nan 8.270 nan 0.000 0.430 712 R N 0.786 121.064 120.500 -0.370 0.000 2.061 712 R HA -0.114 4.224 4.340 -0.003 0.000 0.230 712 R C 2.102 178.273 176.300 -0.216 0.000 1.140 712 R CA 1.298 57.147 56.100 -0.418 0.000 0.940 712 R CB -0.360 29.711 30.300 -0.383 0.000 0.839 712 R HN 0.190 nan 8.270 nan 0.000 0.429 713 F N 1.042 120.927 119.950 -0.109 0.000 2.120 713 F HA -0.235 4.290 4.527 -0.003 0.000 0.300 713 F C 2.700 178.425 175.800 -0.126 0.000 1.095 713 F CA 0.759 58.696 58.000 -0.105 0.000 1.249 713 F CB -0.323 38.612 39.000 -0.109 0.000 0.995 713 F HN 0.294 nan 8.300 nan 0.000 0.480 714 A N -0.118 122.713 122.820 0.018 0.000 1.908 714 A HA -0.176 4.142 4.320 -0.003 0.000 0.218 714 A C 2.265 179.853 177.584 0.008 0.000 1.181 714 A CA 1.958 53.986 52.037 -0.015 0.000 0.627 714 A CB -1.184 17.796 19.000 -0.034 0.000 0.818 714 A HN 0.206 nan 8.150 nan 0.000 0.445 715 V N -0.040 119.865 119.914 -0.015 0.000 2.427 715 V HA -0.224 3.895 4.120 -0.003 0.000 0.248 715 V C 2.377 178.487 176.094 0.026 0.000 1.051 715 V CA 1.837 64.134 62.300 -0.005 0.000 1.048 715 V CB -0.565 31.231 31.823 -0.045 0.000 0.666 715 V HN 0.575 nan 8.190 nan 0.000 0.456 716 I N -0.720 119.879 120.570 0.049 0.000 2.252 716 I HA -0.240 3.929 4.170 -0.003 0.000 0.245 716 I C 2.370 178.534 176.117 0.078 0.000 1.102 716 I CA 1.450 62.800 61.300 0.083 0.000 1.385 716 I CB -0.246 37.838 38.000 0.140 0.000 1.064 716 I HN 0.265 nan 8.210 nan 0.000 0.414 717 L N 0.716 121.965 121.223 0.044 0.000 2.046 717 L HA -0.230 4.108 4.340 -0.003 0.000 0.208 717 L C 2.630 179.533 176.870 0.055 0.000 1.077 717 L CA 1.711 56.562 54.840 0.019 0.000 0.747 717 L CB -0.438 41.558 42.059 -0.105 0.000 0.896 717 L HN 0.366 nan 8.230 nan 0.000 0.432 718 E N 0.047 120.258 120.200 0.018 0.000 2.085 718 E HA -0.257 4.091 4.350 -0.003 0.000 0.194 718 E C 2.008 178.619 176.600 0.018 0.000 0.994 718 E CA 1.279 57.676 56.400 -0.005 0.000 0.801 718 E CB 0.051 29.743 29.700 -0.014 0.000 0.743 718 E HN 0.565 nan 8.360 nan 0.000 0.453 719 A N 0.590 123.440 122.820 0.049 0.000 1.908 719 A HA -0.228 4.090 4.320 -0.003 0.000 0.218 719 A C 2.074 179.709 177.584 0.084 0.000 1.181 719 A CA 1.651 53.725 52.037 0.061 0.000 0.627 719 A CB -1.011 18.032 19.000 0.071 0.000 0.818 719 A HN 0.591 nan 8.150 nan 0.000 0.445 720 Y N 0.416 120.720 120.300 0.006 0.000 2.200 720 Y HA -0.083 4.466 4.550 -0.002 0.000 0.290 720 Y C 1.795 177.719 175.900 0.041 0.000 1.137 720 Y CA 1.736 59.847 58.100 0.018 0.000 1.163 720 Y CB -0.291 38.170 38.460 0.001 0.000 0.988 720 Y HN 0.197 nan 8.280 nan 0.000 0.518 721 L N -0.143 120.977 121.223 -0.173 0.000 2.395 721 L HA -0.055 4.283 4.340 -0.003 0.000 0.218 721 L C 2.077 178.889 176.870 -0.097 0.000 1.130 721 L CA 0.786 55.496 54.840 -0.217 0.000 0.826 721 L CB -0.323 41.680 42.059 -0.092 0.000 0.941 721 L HN 0.078 nan 8.230 nan 0.000 0.451 722 R N -0.293 120.186 120.500 -0.036 0.000 2.313 722 R HA 0.064 4.402 4.340 -0.003 0.000 0.199 722 R C 1.497 177.815 176.300 0.030 0.000 0.958 722 R CA 0.627 56.780 56.100 0.089 0.000 1.047 722 R CB 0.154 30.512 30.300 0.097 0.000 0.955 722 R HN 0.319 nan 8.270 nan 0.000 0.481 723 G N -0.677 108.077 108.800 -0.077 0.000 3.581 723 G HA2 -0.075 3.883 3.960 -0.003 0.000 0.248 723 G HA3 -0.075 3.883 3.960 -0.003 0.000 0.248 723 G C 1.065 175.882 174.900 -0.139 0.000 1.037 723 G CA -0.150 44.896 45.100 -0.090 0.000 0.902 723 G HN 0.407 nan 8.290 nan 0.000 0.512 724 C N -0.206 118.948 119.300 -0.244 0.000 2.500 724 C HA 0.562 5.020 4.460 -0.003 0.000 0.273 724 C C 1.513 176.539 174.990 0.060 0.000 1.428 724 C CA -0.167 58.759 59.018 -0.153 0.000 1.766 724 C CB -1.166 26.314 27.740 -0.434 0.000 1.817 724 C HN 1.373 nan 8.230 nan 0.000 0.543 725 G N 0.612 109.425 108.800 0.021 0.000 2.705 725 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.686 725 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.686 725 G C 0.346 175.279 174.900 0.055 0.000 1.285 725 G CA 0.282 45.416 45.100 0.057 0.000 0.800 725 G HN 1.121 nan 8.290 nan 0.000 0.611 726 T N -1.243 113.336 114.554 0.043 0.000 2.977 726 T HA 0.210 4.558 4.350 -0.003 0.000 0.271 726 T C 2.538 177.265 174.700 0.045 0.000 1.105 726 T CA 2.098 64.227 62.100 0.050 0.000 1.116 726 T CB -0.097 68.785 68.868 0.022 0.000 0.878 726 T HN 2.024 nan 8.240 nan 0.000 0.509 727 A N 1.829 124.661 122.820 0.020 0.000 1.898 727 A HA 0.147 4.466 4.320 -0.003 0.000 0.216 727 A C 2.493 180.050 177.584 -0.045 0.000 1.181 727 A CA 1.394 53.431 52.037 -0.001 0.000 0.620 727 A CB -0.586 18.398 19.000 -0.027 0.000 0.819 727 A HN 0.510 nan 8.150 nan 0.000 0.442 728 M N -0.942 118.599 119.600 -0.097 0.000 2.334 728 M HA 0.078 4.556 4.480 -0.003 0.000 0.266 728 M C 2.042 178.184 176.300 -0.265 0.000 1.082 728 M CA 0.861 55.988 55.300 -0.288 0.000 1.141 728 M CB -0.555 31.922 32.600 -0.204 0.000 1.380 728 M HN 0.354 nan 8.290 nan 0.000 0.440 729 L N -0.620 120.606 121.223 0.005 0.000 2.141 729 L HA -0.232 4.106 4.340 -0.003 0.000 0.209 729 L C 2.595 179.509 176.870 0.074 0.000 1.094 729 L CA 1.313 56.224 54.840 0.118 0.000 0.763 729 L CB -0.776 41.370 42.059 0.146 0.000 0.908 729 L HN 0.365 nan 8.230 nan 0.000 0.437 730 H N -0.237 118.811 119.070 -0.037 0.000 2.395 730 H HA -0.145 4.410 4.556 -0.002 0.000 0.299 730 H C 1.759 177.044 175.328 -0.072 0.000 1.070 730 H CA 1.805 57.834 56.048 -0.032 0.000 1.356 730 H CB 0.033 29.775 29.762 -0.033 0.000 1.401 730 H HN 0.189 nan 8.280 nan 0.000 0.524 731 D N -0.248 119.954 120.400 -0.331 0.000 2.097 731 D HA -0.145 4.493 4.640 -0.003 0.000 0.195 731 D C 1.864 177.949 176.300 -0.358 0.000 0.989 731 D CA 1.512 55.254 54.000 -0.430 0.000 0.827 731 D CB -0.396 40.116 40.800 -0.480 0.000 0.966 731 D HN 0.432 nan 8.370 nan 0.000 0.456 732 F N 0.406 120.185 119.950 -0.284 0.000 2.186 732 F HA -0.149 4.377 4.527 -0.003 0.000 0.299 732 F C 2.620 178.290 175.800 -0.217 0.000 1.090 732 F CA 0.868 58.617 58.000 -0.418 0.000 1.307 732 F CB -0.450 38.072 39.000 -0.796 0.000 1.019 732 F HN -0.096 nan 8.300 nan 0.000 0.489 733 T N -0.499 114.064 114.554 0.015 0.000 2.720 733 T HA -0.201 4.147 4.350 -0.003 0.000 0.268 733 T C 1.943 176.640 174.700 -0.005 0.000 1.037 733 T CA 1.204 63.313 62.100 0.015 0.000 1.144 733 T CB -0.257 68.622 68.868 0.018 0.000 0.864 733 T HN 0.260 nan 8.240 nan 0.000 0.444 734 Q N 0.875 120.621 119.800 -0.090 0.000 2.084 734 Q HA -0.128 4.211 4.340 -0.003 0.000 0.202 734 Q C 2.469 178.493 176.000 0.041 0.000 0.978 734 Q CA 1.409 57.177 55.803 -0.058 0.000 0.844 734 Q CB -0.267 28.387 28.738 -0.140 0.000 0.898 734 Q HN 0.667 nan 8.270 nan 0.000 0.426 735 Q N -0.162 119.714 119.800 0.127 0.000 2.083 735 Q HA -0.077 4.261 4.340 -0.003 0.000 0.198 735 Q C 2.263 178.439 176.000 0.295 0.000 0.969 735 Q CA 1.156 57.123 55.803 0.274 0.000 0.838 735 Q CB 0.031 29.087 28.738 0.530 0.000 0.900 735 Q HN 0.131 nan 8.270 nan 0.000 0.436 736 V N 1.163 121.246 119.914 0.282 0.000 2.427 736 V HA -0.270 3.849 4.120 -0.003 0.000 0.248 736 V C 2.089 178.264 176.094 0.134 0.000 1.051 736 V CA 1.747 64.200 62.300 0.255 0.000 1.048 736 V CB -0.477 31.453 31.823 0.178 0.000 0.666 736 V HN 0.370 nan 8.190 nan 0.000 0.456 737 Q N -0.707 119.134 119.800 0.070 0.000 2.079 737 Q HA -0.150 4.188 4.340 -0.003 0.000 0.200 737 Q C 2.372 178.352 176.000 -0.032 0.000 0.974 737 Q CA 1.700 57.513 55.803 0.017 0.000 0.840 737 Q CB -0.221 28.520 28.738 0.004 0.000 0.898 737 Q HN 0.535 nan 8.270 nan 0.000 0.430 738 V N 1.352 121.210 119.914 -0.093 0.000 2.270 738 V HA -0.247 3.871 4.120 -0.003 0.000 0.245 738 V C 2.220 178.212 176.094 -0.170 0.000 1.043 738 V CA 1.926 64.081 62.300 -0.241 0.000 1.014 738 V CB -0.560 30.875 31.823 -0.646 0.000 0.645 738 V HN 0.484 nan 8.190 nan 0.000 0.447 739 I N -1.272 119.278 120.570 -0.034 0.000 2.756 739 I HA -0.105 4.063 4.170 -0.003 0.000 0.262 739 I C 1.975 178.121 176.117 0.049 0.000 1.225 739 I CA 1.598 62.946 61.300 0.081 0.000 1.472 739 I CB -0.685 37.485 38.000 0.284 0.000 1.094 739 I HN 0.289 nan 8.210 nan 0.000 0.454 740 E N 0.598 120.819 120.200 0.035 0.000 2.230 740 E HA -0.003 4.345 4.350 -0.003 0.000 0.192 740 E C 2.124 178.704 176.600 -0.033 0.000 0.987 740 E CA 0.749 57.162 56.400 0.022 0.000 0.841 740 E CB -0.097 29.627 29.700 0.039 0.000 0.783 740 E HN 0.558 nan 8.360 nan 0.000 0.481 741 M N 0.189 119.746 119.600 -0.071 0.000 2.175 741 M HA -0.116 4.362 4.480 -0.003 0.000 0.264 741 M C 1.942 178.154 176.300 -0.147 0.000 1.063 741 M CA 1.325 56.568 55.300 -0.095 0.000 1.119 741 M CB 0.101 32.640 32.600 -0.101 0.000 1.377 741 M HN 0.123 nan 8.290 nan 0.000 0.415 742 L N -1.218 119.850 121.223 -0.258 0.000 2.253 742 L HA -0.062 4.276 4.340 -0.003 0.000 0.205 742 L C 2.304 178.976 176.870 -0.331 0.000 1.078 742 L CA 0.592 55.175 54.840 -0.428 0.000 0.805 742 L CB -0.478 41.012 42.059 -0.948 0.000 0.963 742 L HN 0.263 nan 8.230 nan 0.000 0.459 743 Q N 0.231 119.910 119.800 -0.200 0.000 2.226 743 Q HA -0.228 4.110 4.340 -0.003 0.000 0.204 743 Q C 2.083 178.068 176.000 -0.025 0.000 0.975 743 Q CA 1.211 57.005 55.803 -0.015 0.000 0.866 743 Q CB -0.021 28.763 28.738 0.077 0.000 0.915 743 Q HN 0.343 nan 8.270 nan 0.000 0.440 744 K N 0.356 120.726 120.400 -0.049 0.000 2.026 744 K HA -0.135 4.183 4.320 -0.003 0.000 0.208 744 K C 1.923 178.503 176.600 -0.033 0.000 1.048 744 K CA 1.266 57.532 56.287 -0.036 0.000 0.929 744 K CB 0.075 32.553 32.500 -0.037 0.000 0.713 744 K HN 0.059 nan 8.250 nan 0.000 0.439 745 V N 0.870 120.750 119.914 -0.057 0.000 2.626 745 V HA -0.178 3.941 4.120 -0.003 0.000 0.252 745 V C 2.061 178.149 176.094 -0.011 0.000 1.067 745 V CA 1.937 64.211 62.300 -0.042 0.000 1.081 745 V CB -0.417 31.365 31.823 -0.068 0.000 0.686 745 V HN 0.417 nan 8.190 nan 0.000 0.468 746 T N 0.700 115.253 114.554 -0.002 0.000 2.770 746 T HA -0.042 4.307 4.350 -0.003 0.000 0.263 746 T C 1.827 176.576 174.700 0.083 0.000 1.039 746 T CA 1.392 63.531 62.100 0.065 0.000 1.142 746 T CB -0.219 68.724 68.868 0.124 0.000 0.868 746 T HN 0.336 nan 8.240 nan 0.000 0.435 747 L N 0.714 121.972 121.223 0.058 0.000 2.240 747 L HA 0.041 4.380 4.340 -0.003 0.000 0.211 747 L C 2.050 178.946 176.870 0.042 0.000 1.106 747 L CA 0.790 55.664 54.840 0.056 0.000 0.793 747 L CB -0.466 41.587 42.059 -0.010 0.000 0.927 747 L HN 0.079 nan 8.230 nan 0.000 0.446 748 D N 0.024 120.438 120.400 0.023 0.000 2.269 748 D HA -0.085 4.553 4.640 -0.003 0.000 0.208 748 D C 2.012 178.325 176.300 0.021 0.000 0.963 748 D CA 0.904 54.914 54.000 0.016 0.000 0.864 748 D CB 0.229 41.031 40.800 0.004 0.000 0.936 748 D HN 0.185 nan 8.370 nan 0.000 0.505 749 I N 0.362 120.951 120.570 0.030 0.000 2.703 749 I HA -0.061 4.108 4.170 -0.003 0.000 0.259 749 I C 2.083 178.221 176.117 0.034 0.000 1.151 749 I CA 0.767 62.085 61.300 0.030 0.000 1.470 749 I CB 0.112 38.134 38.000 0.036 0.000 1.112 749 I HN -0.199 nan 8.210 nan 0.000 0.437 750 K N -0.059 120.374 120.400 0.055 0.000 2.032 750 K HA -0.173 4.146 4.320 -0.003 0.000 0.209 750 K C 2.232 178.855 176.600 0.038 0.000 1.048 750 K CA 1.901 58.224 56.287 0.060 0.000 0.927 750 K CB -0.090 32.472 32.500 0.103 0.000 0.712 750 K HN 0.229 nan 8.250 nan 0.000 0.441 751 S N 1.203 116.926 115.700 0.038 0.000 2.368 751 S HA -0.114 4.355 4.470 -0.003 0.000 0.225 751 S C 1.865 176.470 174.600 0.009 0.000 1.030 751 S CA 1.141 59.358 58.200 0.027 0.000 0.999 751 S CB -0.218 62.998 63.200 0.027 0.000 0.844 751 S HN 0.215 nan 8.310 nan 0.000 0.459 752 L N 1.661 122.885 121.223 0.003 0.000 2.109 752 L HA 0.021 4.360 4.340 -0.003 0.000 0.207 752 L C 1.366 178.215 176.870 -0.034 0.000 1.086 752 L CA 0.448 55.282 54.840 -0.010 0.000 0.760 752 L CB -0.736 41.319 42.059 -0.007 0.000 0.910 752 L HN 0.245 nan 8.230 nan 0.000 0.437 753 S N 0.693 116.369 115.700 -0.041 0.000 2.565 753 S HA 0.569 5.037 4.470 -0.003 0.000 0.274 753 S C 0.360 174.895 174.600 -0.107 0.000 1.309 753 S CA -0.721 57.427 58.200 -0.086 0.000 1.043 753 S CB 1.364 64.525 63.200 -0.066 0.000 0.939 753 S HN 0.200 nan 8.310 nan 0.000 0.504 754 A N 1.778 124.468 122.820 -0.217 0.000 2.577 754 A HA 0.122 4.440 4.320 -0.003 0.000 0.233 754 A C 1.492 179.025 177.584 -0.086 0.000 1.076 754 A CA 0.445 52.357 52.037 -0.208 0.000 0.767 754 A CB -0.443 18.223 19.000 -0.557 0.000 1.017 754 A HN 1.086 nan 8.150 nan 0.000 0.511 755 E N 0.423 120.624 120.200 0.001 0.000 2.070 755 E HA -0.145 4.203 4.350 -0.003 0.000 0.197 755 E C 0.377 177.007 176.600 0.049 0.000 1.004 755 E CA 2.145 58.568 56.400 0.039 0.000 0.805 755 E CB 0.051 29.791 29.700 0.066 0.000 0.744 755 E HN 0.494 nan 8.360 nan 0.000 0.451 756 K N -0.808 119.643 120.400 0.086 0.000 2.707 756 K HA 0.132 4.451 4.320 -0.003 0.000 0.283 756 K C -1.973 174.773 176.600 0.244 0.000 1.105 756 K CA -0.571 55.780 56.287 0.107 0.000 1.018 756 K CB 0.462 33.033 32.500 0.119 0.000 1.315 756 K HN 0.173 nan 8.250 nan 0.000 0.495 757 Y N 1.490 121.811 120.300 0.034 0.000 2.264 757 Y HA 0.291 4.840 4.550 -0.003 0.000 0.321 757 Y C -0.430 175.485 175.900 0.025 0.000 1.199 757 Y CA -1.128 56.991 58.100 0.031 0.000 1.175 757 Y CB 0.585 39.061 38.460 0.027 0.000 1.213 757 Y HN 0.577 nan 8.280 nan 0.000 0.414 758 D N 0.605 121.069 120.400 0.106 0.000 3.369 758 D HA -0.203 4.435 4.640 -0.003 0.000 0.217 758 D C -1.118 175.177 176.300 -0.009 0.000 1.532 758 D CA 0.863 54.897 54.000 0.056 0.000 1.126 758 D CB -0.548 40.309 40.800 0.094 0.000 0.683 758 D HN 0.534 nan 8.370 nan 0.000 0.827 759 V N 0.062 119.970 119.914 -0.011 0.000 2.569 759 V HA 0.414 4.533 4.120 -0.003 0.000 0.301 759 V C -0.004 176.074 176.094 -0.028 0.000 1.044 759 V CA -0.652 61.632 62.300 -0.027 0.000 0.874 759 V CB 1.939 33.754 31.823 -0.013 0.000 1.002 759 V HN 0.506 nan 8.190 nan 0.000 0.424 760 S N 2.093 117.765 115.700 -0.046 0.000 2.562 760 S HA 0.075 4.543 4.470 -0.003 0.000 0.281 760 S C 1.559 176.150 174.600 -0.016 0.000 1.333 760 S CA 0.637 58.817 58.200 -0.033 0.000 1.052 760 S CB 1.244 64.417 63.200 -0.045 0.000 0.884 760 S HN 1.077 nan 8.310 nan 0.000 0.506 761 S N 2.813 118.509 115.700 -0.007 0.000 2.368 761 S HA -0.209 4.260 4.470 -0.003 0.000 0.225 761 S C 1.791 176.388 174.600 -0.005 0.000 1.030 761 S CA 1.711 59.909 58.200 -0.004 0.000 0.999 761 S CB -0.429 62.772 63.200 0.000 0.000 0.844 761 S HN 0.801 nan 8.310 nan 0.000 0.459 762 Q N -0.156 119.640 119.800 -0.006 0.000 2.234 762 Q HA -0.070 4.269 4.340 -0.003 0.000 0.206 762 Q C 1.923 177.918 176.000 -0.008 0.000 0.980 762 Q CA 1.617 57.417 55.803 -0.006 0.000 0.869 762 Q CB -0.119 28.615 28.738 -0.006 0.000 0.912 762 Q HN 0.551 nan 8.270 nan 0.000 0.436 763 V N 0.285 120.191 119.914 -0.012 0.000 2.649 763 V HA -0.152 3.967 4.120 -0.003 0.000 0.248 763 V C 2.031 178.122 176.094 -0.004 0.000 1.054 763 V CA 0.714 63.008 62.300 -0.010 0.000 1.073 763 V CB -0.092 31.720 31.823 -0.018 0.000 0.699 763 V HN 0.441 nan 8.190 nan 0.000 0.463 764 I N -0.405 120.162 120.570 -0.005 0.000 2.761 764 I HA -0.090 4.078 4.170 -0.003 0.000 0.261 764 I C 2.487 178.603 176.117 -0.002 0.000 1.198 764 I CA 1.298 62.597 61.300 -0.002 0.000 1.482 764 I CB -0.547 37.449 38.000 -0.006 0.000 1.100 764 I HN 0.291 nan 8.210 nan 0.000 0.445 765 S N 0.035 115.733 115.700 -0.003 0.000 2.371 765 S HA -0.139 4.329 4.470 -0.003 0.000 0.224 765 S C 1.825 176.424 174.600 -0.002 0.000 1.029 765 S CA 0.984 59.182 58.200 -0.003 0.000 0.978 765 S CB 0.084 63.283 63.200 -0.002 0.000 0.833 765 S HN 0.420 nan 8.310 nan 0.000 0.466 766 Q N 0.445 120.244 119.800 -0.002 0.000 2.224 766 Q HA 0.011 4.349 4.340 -0.003 0.000 0.203 766 Q C 2.129 178.128 176.000 -0.002 0.000 0.970 766 Q CA 0.632 56.434 55.803 -0.002 0.000 0.865 766 Q CB -0.339 28.398 28.738 -0.002 0.000 0.922 766 Q HN 0.473 nan 8.270 nan 0.000 0.445 767 L N 0.629 121.853 121.223 0.000 0.000 2.072 767 L HA -0.136 4.203 4.340 -0.003 0.000 0.205 767 L C 1.998 178.866 176.870 -0.004 0.000 1.079 767 L CA 1.212 56.053 54.840 0.002 0.000 0.752 767 L CB -0.100 41.966 42.059 0.012 0.000 0.906 767 L HN 0.104 nan 8.230 nan 0.000 0.436 768 K N 0.085 120.483 120.400 -0.003 0.000 2.002 768 K HA -0.197 4.122 4.320 -0.003 0.000 0.209 768 K C 1.937 178.531 176.600 -0.009 0.000 1.048 768 K CA 1.360 57.643 56.287 -0.006 0.000 0.930 768 K CB -0.493 32.004 32.500 -0.004 0.000 0.714 768 K HN 0.422 nan 8.250 nan 0.000 0.438 769 Q N 0.850 120.646 119.800 -0.006 0.000 2.077 769 Q HA -0.150 4.189 4.340 -0.003 0.000 0.206 769 Q C 2.155 178.149 176.000 -0.009 0.000 0.989 769 Q CA 1.683 57.483 55.803 -0.006 0.000 0.853 769 Q CB -0.033 28.702 28.738 -0.004 0.000 0.907 769 Q HN 0.204 nan 8.270 nan 0.000 0.418 770 K N 0.142 120.535 120.400 -0.011 0.000 2.097 770 K HA -0.087 4.231 4.320 -0.003 0.000 0.205 770 K C 1.914 178.500 176.600 -0.022 0.000 1.050 770 K CA 0.891 57.169 56.287 -0.016 0.000 0.938 770 K CB 0.017 32.507 32.500 -0.017 0.000 0.718 770 K HN 0.256 nan 8.250 nan 0.000 0.442 771 L N 0.131 121.339 121.223 -0.025 0.000 2.446 771 L HA -0.014 4.324 4.340 -0.003 0.000 0.219 771 L C 2.253 179.107 176.870 -0.027 0.000 1.116 771 L CA 0.472 55.291 54.840 -0.035 0.000 0.844 771 L CB -0.088 41.943 42.059 -0.047 0.000 0.970 771 L HN 0.184 nan 8.230 nan 0.000 0.457 772 E N 0.404 120.593 120.200 -0.018 0.000 2.216 772 E HA -0.142 4.206 4.350 -0.003 0.000 0.192 772 E C 1.414 178.010 176.600 -0.007 0.000 0.988 772 E CA 0.517 56.910 56.400 -0.011 0.000 0.834 772 E CB 0.304 30.000 29.700 -0.007 0.000 0.772 772 E HN 0.425 nan 8.360 nan 0.000 0.479 773 N N 0.100 118.795 118.700 -0.009 0.000 2.446 773 N HA -0.002 4.737 4.740 -0.003 0.000 0.179 773 N C 1.594 177.099 175.510 -0.008 0.000 1.054 773 N CA 0.362 53.408 53.050 -0.007 0.000 0.905 773 N CB 0.234 38.716 38.487 -0.008 0.000 0.973 773 N HN 0.218 nan 8.380 nan 0.000 0.448 774 L N 0.151 121.367 121.223 -0.013 0.000 2.116 774 L HA -0.052 4.286 4.340 -0.003 0.000 0.200 774 L C 2.354 179.224 176.870 -0.000 0.000 1.084 774 L CA 0.565 55.398 54.840 -0.013 0.000 0.766 774 L CB -0.563 41.480 42.059 -0.026 0.000 0.930 774 L HN 0.017 nan 8.230 nan 0.000 0.453 775 Q N 0.808 120.609 119.800 0.000 0.000 2.188 775 Q HA -0.321 4.018 4.340 -0.003 0.000 0.217 775 Q C 1.672 177.685 176.000 0.022 0.000 1.018 775 Q CA 2.657 58.469 55.803 0.014 0.000 0.910 775 Q CB -0.289 28.451 28.738 0.005 0.000 0.979 775 Q HN 0.381 nan 8.270 nan 0.000 0.413 776 N N -1.113 117.596 118.700 0.015 0.000 2.132 776 N HA 0.028 4.766 4.740 -0.003 0.000 0.188 776 N C -0.249 175.272 175.510 0.019 0.000 1.069 776 N CA 1.503 54.563 53.050 0.017 0.000 0.887 776 N CB -0.082 38.412 38.487 0.012 0.000 1.059 776 N HN 0.147 nan 8.380 nan 0.000 0.453 777 S N 0.569 116.277 115.700 0.014 0.000 3.700 777 S HA 0.320 4.788 4.470 -0.003 0.000 0.192 777 S C 0.168 174.775 174.600 0.011 0.000 1.430 777 S CA -0.378 57.830 58.200 0.014 0.000 0.999 777 S CB 0.669 63.876 63.200 0.012 0.000 1.411 777 S HN 0.313 nan 8.310 nan 0.000 0.491 778 Q N 0.072 119.880 119.800 0.013 0.000 1.847 778 Q HA 0.197 4.535 4.340 -0.003 0.000 0.148 778 Q C -0.091 175.914 176.000 0.010 0.000 0.581 778 Q CA -0.119 55.689 55.803 0.007 0.000 0.877 778 Q CB 0.165 28.901 28.738 -0.002 0.000 1.017 778 Q HN 0.495 nan 8.270 nan 0.000 0.255 779 L N 4.875 126.105 121.223 0.013 0.000 2.453 779 L HA 0.148 4.486 4.340 -0.003 0.000 0.272 779 L C -1.986 174.912 176.870 0.047 0.000 1.182 779 L CA -1.195 53.657 54.840 0.019 0.000 0.858 779 L CB 0.528 42.611 42.059 0.040 0.000 1.120 779 L HN 0.024 nan 8.230 nan 0.000 0.474 780 P HA -0.063 nan 4.420 nan 0.000 0.264 780 P C 0.304 177.679 177.300 0.124 0.000 1.179 780 P CA -0.003 63.147 63.100 0.085 0.000 0.763 780 P CB 0.456 32.211 31.700 0.092 0.000 0.806 781 E N 0.541 120.804 120.200 0.106 0.000 2.171 781 E HA -0.132 4.216 4.350 -0.003 0.000 0.197 781 E C 0.540 177.216 176.600 0.127 0.000 0.997 781 E CA 1.601 58.063 56.400 0.103 0.000 0.810 781 E CB -0.012 29.735 29.700 0.078 0.000 0.738 781 E HN 0.624 nan 8.360 nan 0.000 0.467 782 S N -0.845 114.939 115.700 0.141 0.000 2.543 782 S HA 0.501 4.969 4.470 -0.003 0.000 0.274 782 S C -0.955 173.742 174.600 0.162 0.000 1.149 782 S CA -1.108 57.165 58.200 0.122 0.000 0.866 782 S CB 0.935 64.147 63.200 0.020 0.000 1.111 782 S HN 0.140 nan 8.310 nan 0.000 0.457 783 F N -0.176 119.723 119.950 -0.084 0.000 2.588 783 F HA 0.748 5.273 4.527 -0.003 0.000 0.310 783 F C -0.336 175.364 175.800 -0.167 0.000 1.082 783 F CA -1.226 56.703 58.000 -0.119 0.000 0.929 783 F CB 1.361 40.302 39.000 -0.098 0.000 1.254 783 F HN 0.776 nan 8.300 nan 0.000 0.455 784 R N 1.718 122.122 120.500 -0.159 0.000 2.491 784 R HA 0.479 4.817 4.340 -0.003 0.000 0.283 784 R C -1.037 175.089 176.300 -0.291 0.000 1.072 784 R CA -0.542 55.391 56.100 -0.280 0.000 1.048 784 R CB 1.257 31.427 30.300 -0.216 0.000 0.983 784 R HN 0.697 nan 8.270 nan 0.000 0.450 785 V N 7.883 127.514 119.914 -0.472 0.000 2.405 785 V HA 0.058 4.176 4.120 -0.003 0.000 0.264 785 V C -1.506 174.300 176.094 -0.479 0.000 1.048 785 V CA -1.271 60.696 62.300 -0.556 0.000 0.966 785 V CB 1.242 32.626 31.823 -0.732 0.000 1.015 785 V HN 0.755 nan 8.190 nan 0.000 0.477 786 P HA -0.200 nan 4.420 nan 0.000 0.216 786 P C 1.301 178.496 177.300 -0.176 0.000 1.157 786 P CA 1.703 64.587 63.100 -0.361 0.000 0.880 786 P CB -0.043 31.104 31.700 -0.923 0.000 0.791 787 Y N -2.050 118.211 120.300 -0.064 0.000 2.583 787 Y HA 0.266 4.814 4.550 -0.002 0.000 0.293 787 Y C 0.174 176.188 175.900 0.190 0.000 1.157 787 Y CA -0.118 58.067 58.100 0.141 0.000 1.315 787 Y CB -0.801 37.700 38.460 0.069 0.000 1.021 787 Y HN -0.131 nan 8.280 nan 0.000 0.536 788 D N 1.050 121.410 120.400 -0.066 0.000 2.586 788 D HA 0.215 4.853 4.640 -0.003 0.000 0.254 788 D C -2.420 173.720 176.300 -0.268 0.000 1.248 788 D CA -2.314 51.674 54.000 -0.019 0.000 0.843 788 D CB 1.164 41.997 40.800 0.055 0.000 1.332 788 D HN -0.069 nan 8.370 nan 0.000 0.523 789 P HA 0.012 nan 4.420 nan 0.000 0.228 789 P C 1.372 178.427 177.300 -0.409 0.000 1.151 789 P CA 0.472 63.177 63.100 -0.659 0.000 0.770 789 P CB 0.348 31.360 31.700 -1.146 0.000 0.786 790 G N 0.773 109.421 108.800 -0.253 0.000 2.433 790 G HA2 -0.131 3.828 3.960 -0.003 0.000 0.216 790 G HA3 -0.131 3.828 3.960 -0.003 0.000 0.216 790 G C 0.683 175.447 174.900 -0.226 0.000 1.186 790 G CA 0.060 45.046 45.100 -0.190 0.000 0.779 790 G HN 0.235 nan 8.290 nan 0.000 0.543 791 L N 1.388 122.473 121.223 -0.229 0.000 2.462 791 L HA 0.166 4.504 4.340 -0.003 0.000 0.272 791 L C 0.143 176.822 176.870 -0.318 0.000 1.166 791 L CA -0.014 54.681 54.840 -0.242 0.000 0.880 791 L CB 0.829 42.761 42.059 -0.211 0.000 1.142 791 L HN 0.058 nan 8.230 nan 0.000 0.473 792 K N 4.276 124.504 120.400 -0.287 0.000 2.299 792 K HA 0.431 4.749 4.320 -0.003 0.000 0.268 792 K C -0.156 176.222 176.600 -0.369 0.000 1.075 792 K CA -0.394 55.695 56.287 -0.330 0.000 0.936 792 K CB 1.523 33.891 32.500 -0.220 0.000 1.228 792 K HN 0.654 nan 8.250 nan 0.000 0.454 793 A N 2.631 125.070 122.820 -0.636 0.000 2.366 793 A HA 0.543 4.862 4.320 -0.003 0.000 0.249 793 A C 0.673 178.049 177.584 -0.347 0.000 1.084 793 A CA 0.215 51.883 52.037 -0.615 0.000 0.794 793 A CB 0.581 18.857 19.000 -1.206 0.000 1.034 793 A HN 0.800 nan 8.150 nan 0.000 0.491 794 G N -0.783 108.006 108.800 -0.018 0.000 3.356 794 G HA2 0.615 4.573 3.960 -0.003 0.000 0.178 794 G HA3 0.615 4.573 3.960 -0.003 0.000 0.178 794 G C 0.241 175.321 174.900 0.301 0.000 1.175 794 G CA 0.113 45.283 45.100 0.117 0.000 0.840 794 G HN 1.432 nan 8.290 nan 0.000 0.658 795 A N -0.727 122.224 122.820 0.219 0.000 2.322 795 A HA 0.641 4.959 4.320 -0.003 0.000 0.269 795 A C 0.030 177.720 177.584 0.175 0.000 1.094 795 A CA -0.374 51.783 52.037 0.200 0.000 0.807 795 A CB 0.188 19.253 19.000 0.108 0.000 1.047 795 A HN 0.495 nan 8.150 nan 0.000 0.487 796 L N 0.994 122.245 121.223 0.046 0.000 2.456 796 L HA 0.303 4.641 4.340 -0.003 0.000 0.272 796 L C 0.943 177.751 176.870 -0.104 0.000 1.189 796 L CA -0.061 54.654 54.840 -0.208 0.000 0.846 796 L CB 1.035 42.930 42.059 -0.273 0.000 1.111 796 L HN 0.767 nan 8.230 nan 0.000 0.475 797 A N 4.739 127.487 122.820 -0.120 0.000 2.923 797 A HA 0.332 4.651 4.320 -0.003 0.000 0.306 797 A C 0.973 178.531 177.584 -0.044 0.000 1.542 797 A CA -0.397 51.617 52.037 -0.038 0.000 1.225 797 A CB -0.429 18.577 19.000 0.010 0.000 1.147 797 A HN 0.788 nan 8.150 nan 0.000 0.542 798 I N 0.628 121.172 120.570 -0.043 0.000 2.423 798 I HA -0.253 3.915 4.170 -0.003 0.000 0.254 798 I C 2.087 178.199 176.117 -0.008 0.000 1.151 798 I CA 1.495 62.773 61.300 -0.036 0.000 1.421 798 I CB -0.207 37.775 38.000 -0.029 0.000 1.079 798 I HN 0.629 nan 8.210 nan 0.000 0.431 799 E N 0.795 120.997 120.200 0.003 0.000 2.153 799 E HA -0.193 4.155 4.350 -0.003 0.000 0.194 799 E C 1.627 178.240 176.600 0.022 0.000 0.988 799 E CA 0.998 57.404 56.400 0.011 0.000 0.811 799 E CB -0.070 29.638 29.700 0.013 0.000 0.746 799 E HN 0.466 nan 8.360 nan 0.000 0.466 800 K N -0.306 120.120 120.400 0.044 0.000 2.372 800 K HA 0.180 4.498 4.320 -0.003 0.000 0.200 800 K C -0.415 176.276 176.600 0.151 0.000 1.022 800 K CA -0.244 56.096 56.287 0.088 0.000 1.125 800 K CB 0.567 33.145 32.500 0.130 0.000 0.855 800 K HN 0.043 nan 8.250 nan 0.000 0.524 801 C N 2.433 121.794 119.300 0.103 0.000 2.401 801 C HA 0.422 4.881 4.460 -0.003 0.000 0.365 801 C C 0.001 175.052 174.990 0.101 0.000 1.250 801 C CA -0.755 58.347 59.018 0.140 0.000 2.131 801 C CB -0.131 27.637 27.740 0.047 0.000 2.445 801 C HN 0.477 nan 8.230 nan 0.000 0.550 802 K N 0.830 121.317 120.400 0.146 0.000 2.579 802 K HA 0.685 5.003 4.320 -0.003 0.000 0.284 802 K C -1.759 174.911 176.600 0.117 0.000 0.990 802 K CA -0.794 55.538 56.287 0.077 0.000 0.880 802 K CB 0.592 33.084 32.500 -0.014 0.000 1.488 802 K HN 0.217 nan 8.250 nan 0.000 0.425 803 V N 2.069 122.026 119.914 0.071 0.000 2.649 803 V HA 0.228 4.346 4.120 -0.003 0.000 0.292 803 V C 0.048 176.183 176.094 0.068 0.000 1.055 803 V CA -0.385 61.963 62.300 0.080 0.000 1.023 803 V CB 0.966 32.818 31.823 0.048 0.000 0.992 803 V HN 0.673 nan 8.190 nan 0.000 0.480 804 M N 3.863 123.521 119.600 0.097 0.000 2.144 804 M HA 0.430 4.909 4.480 -0.003 0.000 0.356 804 M C 0.391 176.716 176.300 0.042 0.000 1.217 804 M CA -0.262 55.084 55.300 0.076 0.000 1.087 804 M CB 1.288 33.973 32.600 0.142 0.000 1.609 804 M HN 0.734 nan 8.290 nan 0.000 0.467 805 A N 3.726 126.552 122.820 0.010 0.000 2.785 805 A HA 0.455 4.774 4.320 -0.003 0.000 0.294 805 A C 0.461 178.055 177.584 0.017 0.000 1.597 805 A CA 0.561 52.603 52.037 0.009 0.000 1.283 805 A CB -0.728 18.269 19.000 -0.006 0.000 1.088 805 A HN 1.040 nan 8.150 nan 0.000 0.568 806 S N 1.226 116.945 115.700 0.031 0.000 6.442 806 S HA 0.118 4.586 4.470 -0.003 0.000 0.141 806 S C -0.370 174.257 174.600 0.044 0.000 1.442 806 S CA -0.451 57.770 58.200 0.034 0.000 0.962 806 S CB 0.079 63.290 63.200 0.018 0.000 1.474 806 S HN 0.401 nan 8.310 nan 0.000 0.517 807 K N 2.789 123.214 120.400 0.041 0.000 2.231 807 K HA 0.510 4.828 4.320 -0.003 0.000 0.255 807 K C -0.979 175.644 176.600 0.038 0.000 1.108 807 K CA -0.266 56.047 56.287 0.043 0.000 0.997 807 K CB 0.149 32.670 32.500 0.036 0.000 1.549 807 K HN 0.521 nan 8.250 nan 0.000 0.419 808 K N 1.931 122.353 120.400 0.037 0.000 3.263 808 K HA -0.132 4.186 4.320 -0.003 0.000 0.277 808 K C -0.913 175.719 176.600 0.053 0.000 1.207 808 K CA -0.001 56.303 56.287 0.028 0.000 0.818 808 K CB -0.960 31.532 32.500 -0.014 0.000 1.313 808 K HN 0.550 nan 8.250 nan 0.000 0.512 809 K N -2.114 118.321 120.400 0.059 0.000 3.730 809 K HA -0.176 4.142 4.320 -0.003 0.000 0.276 809 K C -2.401 174.262 176.600 0.106 0.000 0.904 809 K CA 1.070 57.401 56.287 0.073 0.000 0.741 809 K CB -1.423 31.113 32.500 0.060 0.000 1.542 809 K HN 0.341 nan 8.250 nan 0.000 0.446 810 P HA 0.156 nan 4.420 nan 0.000 0.274 810 P C 0.327 177.743 177.300 0.193 0.000 1.237 810 P CA -0.380 62.817 63.100 0.162 0.000 0.793 810 P CB 0.681 32.470 31.700 0.148 0.000 0.977 811 L N 1.727 123.094 121.223 0.240 0.000 2.257 811 L HA 0.291 4.629 4.340 -0.003 0.000 0.290 811 L C 0.474 177.536 176.870 0.319 0.000 1.044 811 L CA -0.569 54.425 54.840 0.256 0.000 0.810 811 L CB 0.632 42.829 42.059 0.229 0.000 1.193 811 L HN 0.452 nan 8.230 nan 0.000 0.425 812 W N 7.082 128.452 121.300 0.117 0.000 2.497 812 W HA 0.348 5.006 4.660 -0.003 0.000 0.354 812 W C -1.402 175.185 176.519 0.113 0.000 1.111 812 W CA -0.509 56.903 57.345 0.112 0.000 1.510 812 W CB 0.346 29.848 29.460 0.069 0.000 1.466 812 W HN 0.421 nan 8.180 nan 0.000 0.409 813 L N 5.826 127.167 121.223 0.198 0.000 2.325 813 L HA 0.469 4.807 4.340 -0.003 0.000 0.278 813 L C 0.238 177.171 176.870 0.105 0.000 1.023 813 L CA -0.680 54.255 54.840 0.159 0.000 0.811 813 L CB 1.831 44.026 42.059 0.227 0.000 1.249 813 L HN 0.209 nan 8.230 nan 0.000 0.431 814 E N 2.013 122.227 120.200 0.023 0.000 2.293 814 E HA 0.577 4.925 4.350 -0.003 0.000 0.270 814 E C -1.632 174.920 176.600 -0.079 0.000 0.879 814 E CA -0.622 55.839 56.400 0.102 0.000 0.756 814 E CB 2.892 32.691 29.700 0.164 0.000 1.208 814 E HN 0.211 nan 8.360 nan 0.000 0.428 815 F N 0.808 120.817 119.950 0.098 0.000 2.577 815 F HA 0.389 4.914 4.527 -0.003 0.000 0.318 815 F C 0.533 176.364 175.800 0.052 0.000 1.065 815 F CA -0.944 57.111 58.000 0.091 0.000 0.929 815 F CB 1.513 40.573 39.000 0.099 0.000 1.237 815 F HN 0.073 nan 8.300 nan 0.000 0.468 816 K N 0.531 121.063 120.400 0.220 0.000 2.202 816 K HA 0.300 4.619 4.320 -0.003 0.000 0.264 816 K C -0.695 175.967 176.600 0.103 0.000 1.010 816 K CA -0.407 55.959 56.287 0.130 0.000 0.940 816 K CB 0.959 33.515 32.500 0.094 0.000 0.983 816 K HN 0.661 nan 8.250 nan 0.000 0.475 817 C N 2.324 121.650 119.300 0.044 0.000 2.415 817 C HA 0.381 4.839 4.460 -0.003 0.000 0.369 817 C C 1.444 176.422 174.990 -0.021 0.000 1.279 817 C CA -0.404 58.606 59.018 -0.014 0.000 1.886 817 C CB -0.611 27.115 27.740 -0.024 0.000 2.468 817 C HN 0.880 nan 8.230 nan 0.000 0.553 818 A N 3.664 126.452 122.820 -0.053 0.000 2.208 818 A HA 0.107 4.426 4.320 -0.003 0.000 0.209 818 A C 0.812 178.370 177.584 -0.043 0.000 1.161 818 A CA 0.668 52.683 52.037 -0.037 0.000 0.782 818 A CB -0.234 18.735 19.000 -0.051 0.000 0.816 818 A HN 0.899 nan 8.150 nan 0.000 0.477 819 D N 0.250 120.613 120.400 -0.062 0.000 2.280 819 D HA 0.273 4.911 4.640 -0.003 0.000 0.243 819 D C -1.829 174.443 176.300 -0.046 0.000 1.129 819 D CA -1.604 52.358 54.000 -0.064 0.000 0.848 819 D CB 1.579 42.320 40.800 -0.098 0.000 1.107 819 D HN 0.100 nan 8.370 nan 0.000 0.471 820 P HA 0.023 nan 4.420 nan 0.000 0.249 820 P C 0.724 178.011 177.300 -0.021 0.000 1.229 820 P CA 0.335 63.425 63.100 -0.018 0.000 0.788 820 P CB 0.168 31.864 31.700 -0.006 0.000 1.072 821 T N -3.830 110.699 114.554 -0.041 0.000 3.122 821 T HA 0.466 4.815 4.350 -0.003 0.000 0.250 821 T C 0.944 175.597 174.700 -0.077 0.000 1.067 821 T CA -0.344 61.727 62.100 -0.050 0.000 0.966 821 T CB -0.319 68.511 68.868 -0.063 0.000 1.002 821 T HN 0.074 nan 8.240 nan 0.000 0.542 822 A N 1.192 123.970 122.820 -0.069 0.000 2.498 822 A HA 0.533 4.851 4.320 -0.003 0.000 0.239 822 A C 0.706 178.255 177.584 -0.059 0.000 1.068 822 A CA -0.367 51.629 52.037 -0.069 0.000 0.766 822 A CB -0.082 18.886 19.000 -0.052 0.000 1.003 822 A HN 0.497 nan 8.150 nan 0.000 0.497 823 L N 1.979 123.156 121.223 -0.076 0.000 2.783 823 L HA 0.261 4.599 4.340 -0.003 0.000 0.236 823 L C 0.632 177.466 176.870 -0.060 0.000 1.225 823 L CA 0.622 55.407 54.840 -0.092 0.000 1.026 823 L CB -0.163 41.777 42.059 -0.199 0.000 1.314 823 L HN 0.670 nan 8.230 nan 0.000 0.489 824 S N -1.380 114.302 115.700 -0.029 0.000 2.537 824 S HA 0.320 4.788 4.470 -0.003 0.000 0.271 824 S C -0.028 174.576 174.600 0.006 0.000 1.148 824 S CA -0.709 57.487 58.200 -0.008 0.000 0.868 824 S CB 0.952 64.154 63.200 0.004 0.000 1.115 824 S HN 0.381 nan 8.310 nan 0.000 0.461 825 N N 1.442 120.151 118.700 0.016 0.000 2.235 825 N HA 0.161 4.900 4.740 -0.003 0.000 0.209 825 N C -0.232 175.301 175.510 0.038 0.000 1.122 825 N CA -0.245 52.820 53.050 0.025 0.000 0.845 825 N CB 0.577 39.078 38.487 0.024 0.000 1.004 825 N HN 0.521 nan 8.380 nan 0.000 0.499 826 E N 1.522 121.748 120.200 0.042 0.000 2.366 826 E HA 0.069 4.417 4.350 -0.003 0.000 0.266 826 E C 0.184 176.825 176.600 0.068 0.000 1.051 826 E CA -0.111 56.325 56.400 0.060 0.000 0.884 826 E CB 0.784 30.521 29.700 0.062 0.000 1.006 826 E HN 0.199 nan 8.360 nan 0.000 0.417 827 T N -0.190 114.418 114.554 0.089 0.000 2.918 827 T HA 0.417 4.765 4.350 -0.003 0.000 0.283 827 T C 0.273 175.041 174.700 0.113 0.000 1.001 827 T CA -0.763 61.402 62.100 0.109 0.000 1.041 827 T CB 0.588 69.535 68.868 0.132 0.000 1.028 827 T HN 0.231 nan 8.240 nan 0.000 0.511 828 I N 2.255 122.903 120.570 0.131 0.000 2.347 828 I HA 0.370 4.538 4.170 -0.003 0.000 0.294 828 I C 1.176 177.416 176.117 0.205 0.000 1.090 828 I CA 0.193 61.568 61.300 0.124 0.000 1.314 828 I CB 0.157 38.174 38.000 0.028 0.000 1.423 828 I HN 0.903 nan 8.210 nan 0.000 0.503 829 G N 7.529 116.398 108.800 0.115 0.000 2.338 829 G HA2 0.701 4.659 3.960 -0.003 0.000 0.298 829 G HA3 0.701 4.659 3.960 -0.003 0.000 0.298 829 G C -0.544 174.366 174.900 0.017 0.000 1.140 829 G CA -0.322 44.785 45.100 0.012 0.000 0.860 829 G HN 0.497 nan 8.290 nan 0.000 0.470 830 I N 1.682 122.285 120.570 0.055 0.000 2.619 830 I HA 0.351 4.519 4.170 -0.003 0.000 0.292 830 I C -0.491 175.608 176.117 -0.030 0.000 1.100 830 I CA -0.744 60.594 61.300 0.063 0.000 1.043 830 I CB 2.604 40.757 38.000 0.255 0.000 1.239 830 I HN 0.250 nan 8.210 nan 0.000 0.420 831 I N 4.876 125.364 120.570 -0.137 0.000 2.385 831 I HA 0.323 4.492 4.170 -0.003 0.000 0.294 831 I C -0.994 175.077 176.117 -0.077 0.000 0.988 831 I CA -0.299 60.971 61.300 -0.051 0.000 1.265 831 I CB 1.082 39.028 38.000 -0.090 0.000 1.388 831 I HN 0.318 nan 8.210 nan 0.000 0.480 832 F N 5.520 125.523 119.950 0.088 0.000 2.426 832 F HA 0.451 4.976 4.527 -0.003 0.000 0.348 832 F C 0.045 175.907 175.800 0.104 0.000 1.124 832 F CA -0.593 57.467 58.000 0.099 0.000 1.008 832 F CB 1.462 40.526 39.000 0.106 0.000 1.139 832 F HN 0.253 nan 8.300 nan 0.000 0.452 833 K N 2.925 123.454 120.400 0.216 0.000 2.471 833 K HA 0.381 4.700 4.320 -0.003 0.000 0.252 833 K C -1.764 174.968 176.600 0.220 0.000 0.938 833 K CA -0.656 55.739 56.287 0.180 0.000 0.796 833 K CB 0.850 33.410 32.500 0.101 0.000 1.161 833 K HN 0.618 nan 8.250 nan 0.000 0.425 834 H N 2.431 121.575 119.070 0.123 0.000 2.459 834 H HA 0.661 5.216 4.556 -0.003 0.000 0.332 834 H C 0.581 175.960 175.328 0.085 0.000 1.094 834 H CA 0.801 56.910 56.048 0.102 0.000 1.224 834 H CB 1.662 31.483 29.762 0.098 0.000 1.449 834 H HN 0.760 nan 8.280 nan 0.000 0.484 835 G N 4.425 112.938 108.800 -0.479 0.000 3.709 835 G HA2 -0.145 3.814 3.960 -0.003 0.000 0.196 835 G HA3 -0.145 3.814 3.960 -0.003 0.000 0.196 835 G C -0.582 174.242 174.900 -0.128 0.000 1.177 835 G CA -0.085 44.792 45.100 -0.372 0.000 0.906 835 G HN 0.614 nan 8.290 nan 0.000 0.416 836 D N 1.158 121.539 120.400 -0.033 0.000 2.217 836 D HA 0.505 5.143 4.640 -0.003 0.000 0.248 836 D C -1.053 175.267 176.300 0.034 0.000 1.008 836 D CA -0.264 53.744 54.000 0.014 0.000 0.914 836 D CB 1.854 42.672 40.800 0.032 0.000 1.182 836 D HN 0.116 nan 8.370 nan 0.000 0.451 837 D N 1.515 121.930 120.400 0.025 0.000 2.435 837 D HA 0.046 4.684 4.640 -0.003 0.000 0.230 837 D C 0.741 177.054 176.300 0.022 0.000 1.215 837 D CA -0.309 53.700 54.000 0.016 0.000 0.947 837 D CB 0.338 41.120 40.800 -0.030 0.000 1.048 837 D HN 0.014 nan 8.370 nan 0.000 0.512 838 L N 3.525 124.775 121.223 0.045 0.000 2.395 838 L HA 0.087 4.425 4.340 -0.003 0.000 0.218 838 L C 2.224 179.113 176.870 0.032 0.000 1.130 838 L CA 0.851 55.724 54.840 0.056 0.000 0.826 838 L CB -0.538 41.561 42.059 0.066 0.000 0.941 838 L HN 0.437 nan 8.230 nan 0.000 0.451 839 R N -0.728 119.776 120.500 0.007 0.000 2.091 839 R HA -0.219 4.119 4.340 -0.003 0.000 0.238 839 R C 2.124 178.391 176.300 -0.054 0.000 1.136 839 R CA 1.463 57.543 56.100 -0.032 0.000 0.959 839 R CB -0.208 30.065 30.300 -0.045 0.000 0.856 839 R HN 0.441 nan 8.270 nan 0.000 0.437 840 Q N 0.250 120.022 119.800 -0.047 0.000 2.124 840 Q HA -0.165 4.173 4.340 -0.003 0.000 0.202 840 Q C 1.289 177.290 176.000 0.001 0.000 0.977 840 Q CA 1.919 57.691 55.803 -0.052 0.000 0.850 840 Q CB 0.102 28.795 28.738 -0.076 0.000 0.901 840 Q HN 0.353 nan 8.270 nan 0.000 0.429 841 D N -0.485 119.954 120.400 0.064 0.000 2.103 841 D HA -0.125 4.513 4.640 -0.003 0.000 0.199 841 D C 1.666 177.972 176.300 0.009 0.000 0.978 841 D CA 0.958 55.044 54.000 0.143 0.000 0.829 841 D CB -0.021 40.921 40.800 0.238 0.000 0.981 841 D HN 0.150 nan 8.370 nan 0.000 0.464 842 M N 0.046 119.637 119.600 -0.015 0.000 2.103 842 M HA -0.202 4.276 4.480 -0.003 0.000 0.255 842 M C 1.707 177.919 176.300 -0.146 0.000 1.074 842 M CA 1.148 56.404 55.300 -0.073 0.000 1.090 842 M CB -0.258 32.292 32.600 -0.083 0.000 1.325 842 M HN 0.132 nan 8.290 nan 0.000 0.403 843 L N -0.047 121.089 121.223 -0.146 0.000 2.109 843 L HA -0.114 4.225 4.340 -0.003 0.000 0.207 843 L C 2.233 178.997 176.870 -0.177 0.000 1.086 843 L CA 1.513 56.253 54.840 -0.166 0.000 0.760 843 L CB -0.924 41.048 42.059 -0.145 0.000 0.910 843 L HN 0.287 nan 8.230 nan 0.000 0.437 844 I N -1.377 119.068 120.570 -0.209 0.000 2.406 844 I HA -0.189 3.980 4.170 -0.003 0.000 0.249 844 I C 2.261 178.128 176.117 -0.417 0.000 1.122 844 I CA 0.600 61.704 61.300 -0.327 0.000 1.431 844 I CB -0.687 37.015 38.000 -0.497 0.000 1.087 844 I HN 0.176 nan 8.210 nan 0.000 0.424 845 L N 0.481 121.472 121.223 -0.387 0.000 2.141 845 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 845 L C 2.470 179.189 176.870 -0.253 0.000 1.094 845 L CA 1.634 56.273 54.840 -0.336 0.000 0.763 845 L CB -1.422 40.468 42.059 -0.282 0.000 0.908 845 L HN 0.279 nan 8.230 nan 0.000 0.437 846 Q N -0.448 119.220 119.800 -0.221 0.000 2.187 846 Q HA -0.017 4.322 4.340 -0.003 0.000 0.199 846 Q C 2.199 178.088 176.000 -0.185 0.000 0.957 846 Q CA 1.128 56.811 55.803 -0.201 0.000 0.857 846 Q CB -0.043 28.577 28.738 -0.197 0.000 0.929 846 Q HN 0.466 nan 8.270 nan 0.000 0.453 847 I N -0.331 120.135 120.570 -0.174 0.000 2.394 847 I HA -0.232 3.936 4.170 -0.003 0.000 0.251 847 I C 1.413 177.412 176.117 -0.196 0.000 1.136 847 I CA 0.384 61.597 61.300 -0.145 0.000 1.425 847 I CB -0.117 37.822 38.000 -0.102 0.000 1.079 847 I HN 0.228 nan 8.210 nan 0.000 0.425 848 L N 0.590 121.678 121.223 -0.226 0.000 2.083 848 L HA -0.177 4.161 4.340 -0.003 0.000 0.209 848 L C 2.548 179.281 176.870 -0.229 0.000 1.083 848 L CA 1.777 56.473 54.840 -0.241 0.000 0.752 848 L CB -0.746 41.177 42.059 -0.227 0.000 0.899 848 L HN 0.144 nan 8.230 nan 0.000 0.433 849 R N -1.099 119.281 120.500 -0.201 0.000 2.148 849 R HA -0.033 4.305 4.340 -0.003 0.000 0.223 849 R C 2.236 178.452 176.300 -0.139 0.000 1.088 849 R CA 0.990 56.985 56.100 -0.176 0.000 0.985 849 R CB -0.307 29.860 30.300 -0.220 0.000 0.880 849 R HN 0.338 nan 8.270 nan 0.000 0.451 850 I N 0.509 120.980 120.570 -0.165 0.000 2.439 850 I HA -0.200 3.968 4.170 -0.003 0.000 0.251 850 I C 2.252 178.195 176.117 -0.290 0.000 1.139 850 I CA 1.170 62.380 61.300 -0.150 0.000 1.438 850 I CB 0.050 37.980 38.000 -0.118 0.000 1.085 850 I HN 0.128 nan 8.210 nan 0.000 0.427 851 M N -0.619 118.727 119.600 -0.423 0.000 2.349 851 M HA -0.126 4.352 4.480 -0.003 0.000 0.266 851 M C 1.973 177.691 176.300 -0.970 0.000 1.076 851 M CA 1.313 56.120 55.300 -0.822 0.000 1.126 851 M CB -0.177 31.879 32.600 -0.907 0.000 1.392 851 M HN 0.151 nan 8.290 nan 0.000 0.440 852 E N 0.098 120.036 120.200 -0.437 0.000 2.072 852 E HA -0.150 4.198 4.350 -0.003 0.000 0.191 852 E C 2.111 178.682 176.600 -0.049 0.000 0.985 852 E CA 1.656 57.989 56.400 -0.112 0.000 0.801 852 E CB 0.043 29.735 29.700 -0.014 0.000 0.750 852 E HN 0.484 nan 8.360 nan 0.000 0.452 853 S N 0.430 116.079 115.700 -0.086 0.000 2.428 853 S HA -0.063 4.405 4.470 -0.003 0.000 0.230 853 S C 2.007 176.516 174.600 -0.152 0.000 1.014 853 S CA 0.371 58.530 58.200 -0.069 0.000 0.957 853 S CB -0.281 62.824 63.200 -0.157 0.000 0.784 853 S HN 0.149 nan 8.310 nan 0.000 0.499 854 I N 0.084 120.472 120.570 -0.303 0.000 2.179 854 I HA -0.108 4.061 4.170 -0.003 0.000 0.242 854 I C 2.252 178.295 176.117 -0.124 0.000 1.088 854 I CA 1.132 62.199 61.300 -0.389 0.000 1.357 854 I CB -0.326 37.293 38.000 -0.636 0.000 1.051 854 I HN 0.367 nan 8.210 nan 0.000 0.409 855 W N 1.065 122.324 121.300 -0.068 0.000 2.465 855 W HA -0.102 4.556 4.660 -0.003 0.000 0.268 855 W C 2.402 178.948 176.519 0.045 0.000 1.242 855 W CA 0.632 57.959 57.345 -0.030 0.000 1.248 855 W CB -0.935 28.475 29.460 -0.083 0.000 1.118 855 W HN 0.295 nan 8.180 nan 0.000 0.587 856 E N 0.054 120.402 120.200 0.248 0.000 2.077 856 E HA -0.195 4.153 4.350 -0.003 0.000 0.193 856 E C 2.177 178.885 176.600 0.181 0.000 0.989 856 E CA 2.265 58.821 56.400 0.259 0.000 0.800 856 E CB -0.087 29.703 29.700 0.151 0.000 0.746 856 E HN 0.187 nan 8.360 nan 0.000 0.452 857 T N -1.204 113.420 114.554 0.117 0.000 3.025 857 T HA -0.104 4.244 4.350 -0.003 0.000 0.270 857 T C 0.927 175.707 174.700 0.133 0.000 1.126 857 T CA 0.940 63.101 62.100 0.102 0.000 1.105 857 T CB -0.045 68.880 68.868 0.096 0.000 0.884 857 T HN 0.135 nan 8.240 nan 0.000 0.522 858 E N 0.492 120.801 120.200 0.181 0.000 2.995 858 E HA 0.326 4.674 4.350 -0.003 0.000 0.203 858 E C -0.062 176.647 176.600 0.181 0.000 0.980 858 E CA -0.296 56.206 56.400 0.170 0.000 1.172 858 E CB 0.586 30.407 29.700 0.201 0.000 1.088 858 E HN 0.362 nan 8.360 nan 0.000 0.463 859 S N 0.547 116.389 115.700 0.236 0.000 3.521 859 S HA -0.192 4.277 4.470 -0.003 0.000 0.328 859 S C 0.006 174.823 174.600 0.362 0.000 1.165 859 S CA 0.571 58.967 58.200 0.327 0.000 0.941 859 S CB -1.236 62.078 63.200 0.189 0.000 0.951 859 S HN 0.393 nan 8.310 nan 0.000 0.539 860 L N 1.260 122.605 121.223 0.204 0.000 2.341 860 L HA 0.620 4.958 4.340 -0.003 0.000 0.278 860 L C -0.300 176.280 176.870 -0.483 0.000 1.005 860 L CA -0.596 54.162 54.840 -0.137 0.000 0.818 860 L CB 1.675 43.653 42.059 -0.136 0.000 1.259 860 L HN 0.071 nan 8.230 nan 0.000 0.418 861 D N 3.078 122.979 120.400 -0.831 0.000 2.375 861 D HA 0.360 4.998 4.640 -0.003 0.000 0.247 861 D C -0.190 175.786 176.300 -0.539 0.000 1.061 861 D CA -0.377 53.129 54.000 -0.823 0.000 0.834 861 D CB 1.676 41.779 40.800 -1.162 0.000 1.247 861 D HN 0.216 nan 8.370 nan 0.000 0.489 862 L N 3.250 124.273 121.223 -0.334 0.000 3.069 862 L HA 0.187 4.526 4.340 -0.003 0.000 0.271 862 L C 0.647 177.460 176.870 -0.095 0.000 1.201 862 L CA -0.080 54.601 54.840 -0.264 0.000 1.015 862 L CB -0.876 40.872 42.059 -0.518 0.000 1.371 862 L HN 0.703 nan 8.230 nan 0.000 0.574 863 C N 0.407 119.651 119.300 -0.093 0.000 4.265 863 C HA -0.218 4.240 4.460 -0.003 0.000 0.287 863 C C 1.505 176.547 174.990 0.086 0.000 1.451 863 C CA -0.147 58.868 59.018 -0.004 0.000 1.966 863 C CB -2.837 24.927 27.740 0.039 0.000 1.302 863 C HN 0.359 nan 8.230 nan 0.000 0.794 864 L N 0.008 121.263 121.223 0.053 0.000 2.543 864 L HA 0.060 4.399 4.340 -0.003 0.000 0.285 864 L C 0.546 177.510 176.870 0.157 0.000 1.236 864 L CA 0.317 55.194 54.840 0.062 0.000 0.871 864 L CB 0.100 42.088 42.059 -0.119 0.000 1.121 864 L HN 0.143 nan 8.230 nan 0.000 0.501 865 L N 6.017 127.429 121.223 0.315 0.000 2.603 865 L HA 0.317 4.656 4.340 -0.003 0.000 0.242 865 L C -1.933 175.042 176.870 0.175 0.000 1.169 865 L CA -1.609 53.309 54.840 0.129 0.000 1.029 865 L CB 0.496 42.463 42.059 -0.153 0.000 1.361 865 L HN 0.308 nan 8.230 nan 0.000 0.439 866 P HA 0.127 nan 4.420 nan 0.000 0.260 866 P C -0.572 176.637 177.300 -0.151 0.000 1.651 866 P CA -0.303 62.748 63.100 -0.082 0.000 1.139 866 P CB -0.446 31.193 31.700 -0.102 0.000 1.756 867 Y N 0.836 121.141 120.300 0.009 0.000 2.335 867 Y HA 0.506 5.055 4.550 -0.003 0.000 0.348 867 Y C 1.085 176.917 175.900 -0.114 0.000 1.280 867 Y CA -1.077 56.971 58.100 -0.087 0.000 1.504 867 Y CB -0.497 37.884 38.460 -0.131 0.000 1.366 867 Y HN 0.308 nan 8.280 nan 0.000 0.621 868 G N -0.555 108.209 108.800 -0.061 0.000 2.406 868 G HA2 0.361 4.319 3.960 -0.003 0.000 0.251 868 G HA3 0.361 4.319 3.960 -0.003 0.000 0.251 868 G C -1.365 173.442 174.900 -0.155 0.000 1.271 868 G CA -0.267 44.724 45.100 -0.181 0.000 0.859 868 G HN 1.058 nan 8.290 nan 0.000 0.540 869 C N 4.143 123.446 119.300 0.004 0.000 2.705 869 C HA 0.603 5.061 4.460 -0.003 0.000 0.369 869 C C -0.783 174.265 174.990 0.097 0.000 1.069 869 C CA -0.968 58.082 59.018 0.053 0.000 1.260 869 C CB -0.432 27.374 27.740 0.110 0.000 1.764 869 C HN 0.629 nan 8.230 nan 0.000 0.469 870 I N 4.979 125.598 120.570 0.083 0.000 2.418 870 I HA 0.284 4.452 4.170 -0.003 0.000 0.287 870 I C 0.472 176.626 176.117 0.061 0.000 1.008 870 I CA -0.013 61.344 61.300 0.095 0.000 1.104 870 I CB 2.009 40.016 38.000 0.012 0.000 1.264 870 I HN 0.657 nan 8.210 nan 0.000 0.438 871 S N 3.022 118.782 115.700 0.100 0.000 2.531 871 S HA 0.165 4.633 4.470 -0.003 0.000 0.279 871 S C 1.115 175.801 174.600 0.143 0.000 1.305 871 S CA -0.183 58.076 58.200 0.097 0.000 1.058 871 S CB 0.490 63.737 63.200 0.077 0.000 0.899 871 S HN 0.803 nan 8.310 nan 0.000 0.493 872 T N 1.459 116.100 114.554 0.146 0.000 2.969 872 T HA 0.487 4.835 4.350 -0.003 0.000 0.250 872 T C 0.843 175.646 174.700 0.172 0.000 1.021 872 T CA 0.241 62.470 62.100 0.215 0.000 1.003 872 T CB 0.331 69.334 68.868 0.224 0.000 1.040 872 T HN 0.686 nan 8.240 nan 0.000 0.492 873 G N 0.945 109.826 108.800 0.134 0.000 2.793 873 G HA2 0.459 4.418 3.960 -0.003 0.000 0.248 873 G HA3 0.459 4.418 3.960 -0.003 0.000 0.248 873 G C -1.988 172.973 174.900 0.101 0.000 1.198 873 G CA -0.417 44.748 45.100 0.108 0.000 0.865 873 G HN 0.201 nan 8.290 nan 0.000 0.534 874 D N 0.240 120.698 120.400 0.097 0.000 2.347 874 D HA 0.360 4.999 4.640 -0.003 0.000 0.235 874 D C 0.453 176.855 176.300 0.170 0.000 1.149 874 D CA -0.214 53.851 54.000 0.109 0.000 0.850 874 D CB 0.524 41.380 40.800 0.094 0.000 1.061 874 D HN 0.502 nan 8.370 nan 0.000 0.487 875 K N 1.654 122.154 120.400 0.167 0.000 3.016 875 K HA -0.221 4.098 4.320 -0.003 0.000 0.262 875 K C -0.335 176.447 176.600 0.302 0.000 1.043 875 K CA 0.609 57.016 56.287 0.200 0.000 0.761 875 K CB -1.297 31.330 32.500 0.212 0.000 1.230 875 K HN 0.637 nan 8.250 nan 0.000 0.485 876 I N -1.820 118.888 120.570 0.230 0.000 3.095 876 I HA 0.672 4.840 4.170 -0.003 0.000 0.310 876 I C -0.074 176.135 176.117 0.154 0.000 1.196 876 I CA -0.058 61.380 61.300 0.231 0.000 0.985 876 I CB 2.303 40.434 38.000 0.218 0.000 1.250 876 I HN 0.155 nan 8.210 nan 0.000 0.446 877 G N 5.134 114.018 108.800 0.140 0.000 2.343 877 G HA2 0.290 4.248 3.960 -0.003 0.000 0.289 877 G HA3 0.290 4.248 3.960 -0.003 0.000 0.289 877 G C -1.677 173.166 174.900 -0.094 0.000 1.295 877 G CA -0.364 44.770 45.100 0.057 0.000 0.869 877 G HN 0.745 nan 8.290 nan 0.000 0.522 878 M N -0.877 118.590 119.600 -0.222 0.000 2.761 878 M HA 0.930 5.409 4.480 -0.003 0.000 0.305 878 M C -1.359 174.830 176.300 -0.185 0.000 1.235 878 M CA -0.951 54.094 55.300 -0.426 0.000 0.850 878 M CB 2.130 34.272 32.600 -0.764 0.000 1.744 878 M HN 0.556 nan 8.290 nan 0.000 0.480 879 I N 0.248 120.694 120.570 -0.207 0.000 2.722 879 I HA 0.347 4.515 4.170 -0.003 0.000 0.295 879 I C -0.727 175.196 176.117 -0.324 0.000 1.161 879 I CA -0.585 60.604 61.300 -0.184 0.000 1.032 879 I CB 2.484 40.410 38.000 -0.125 0.000 1.244 879 I HN 0.793 nan 8.210 nan 0.000 0.421 880 E N 5.622 125.499 120.200 -0.538 0.000 2.289 880 E HA 0.386 4.734 4.350 -0.003 0.000 0.278 880 E C -0.985 175.381 176.600 -0.390 0.000 1.032 880 E CA -0.536 55.495 56.400 -0.615 0.000 0.854 880 E CB 1.044 30.237 29.700 -0.845 0.000 1.046 880 E HN 0.445 nan 8.360 nan 0.000 0.409 881 I N 5.089 125.479 120.570 -0.300 0.000 2.322 881 I HA 0.065 4.233 4.170 -0.003 0.000 0.292 881 I C -0.088 175.927 176.117 -0.169 0.000 1.060 881 I CA -0.604 60.498 61.300 -0.329 0.000 1.309 881 I CB 1.113 38.793 38.000 -0.534 0.000 1.415 881 I HN 0.278 nan 8.210 nan 0.000 0.492 882 V N 7.213 127.045 119.914 -0.137 0.000 2.521 882 V HA 0.027 4.145 4.120 -0.003 0.000 0.286 882 V C 0.576 176.703 176.094 0.053 0.000 1.034 882 V CA -0.215 62.048 62.300 -0.061 0.000 1.045 882 V CB 0.734 32.457 31.823 -0.166 0.000 0.974 882 V HN 0.556 nan 8.190 nan 0.000 0.480 883 K N 3.109 123.553 120.400 0.073 0.000 2.350 883 K HA 0.250 4.568 4.320 -0.003 0.000 0.279 883 K C 0.299 176.999 176.600 0.166 0.000 1.027 883 K CA 0.238 56.600 56.287 0.126 0.000 0.969 883 K CB -0.050 32.514 32.500 0.107 0.000 0.954 883 K HN 0.773 nan 8.250 nan 0.000 0.474 884 D N 0.123 120.644 120.400 0.202 0.000 2.800 884 D HA -0.222 4.416 4.640 -0.003 0.000 0.232 884 D C -1.095 175.374 176.300 0.282 0.000 1.137 884 D CA 1.134 55.264 54.000 0.216 0.000 0.718 884 D CB -0.996 39.903 40.800 0.166 0.000 1.084 884 D HN 0.500 nan 8.370 nan 0.000 0.432 885 A N 0.184 123.185 122.820 0.301 0.000 2.317 885 A HA 0.745 5.063 4.320 -0.003 0.000 0.327 885 A C 0.438 178.165 177.584 0.237 0.000 1.178 885 A CA -0.237 51.998 52.037 0.330 0.000 0.817 885 A CB 1.309 20.576 19.000 0.444 0.000 1.189 885 A HN 0.055 nan 8.150 nan 0.000 0.489 886 T N 1.081 115.716 114.554 0.134 0.000 2.908 886 T HA 0.503 4.851 4.350 -0.003 0.000 0.290 886 T C 0.094 174.682 174.700 -0.187 0.000 1.034 886 T CA -0.322 61.767 62.100 -0.019 0.000 1.010 886 T CB 1.527 70.362 68.868 -0.055 0.000 1.068 886 T HN 0.555 nan 8.240 nan 0.000 0.481 887 T N 1.975 116.416 114.554 -0.188 0.000 2.884 887 T HA 0.209 4.558 4.350 -0.003 0.000 0.298 887 T C 1.615 176.155 174.700 -0.268 0.000 0.998 887 T CA -0.274 61.683 62.100 -0.238 0.000 1.124 887 T CB 0.290 69.037 68.868 -0.201 0.000 0.931 887 T HN 0.438 nan 8.240 nan 0.000 0.531 888 I N 3.210 123.633 120.570 -0.245 0.000 2.361 888 I HA -0.148 4.020 4.170 -0.003 0.000 0.251 888 I C 2.362 178.412 176.117 -0.113 0.000 1.133 888 I CA 1.167 62.367 61.300 -0.166 0.000 1.413 888 I CB -0.203 37.797 38.000 0.000 0.000 1.073 888 I HN 0.820 nan 8.210 nan 0.000 0.424 889 A N -0.041 122.689 122.820 -0.150 0.000 1.930 889 A HA -0.259 4.059 4.320 -0.003 0.000 0.217 889 A C 2.273 179.791 177.584 -0.110 0.000 1.175 889 A CA 1.923 53.888 52.037 -0.119 0.000 0.627 889 A CB -0.491 18.348 19.000 -0.270 0.000 0.815 889 A HN 0.327 nan 8.150 nan 0.000 0.443 890 K N 0.153 120.466 120.400 -0.145 0.000 2.211 890 K HA 0.034 4.353 4.320 -0.003 0.000 0.203 890 K C 1.436 177.966 176.600 -0.117 0.000 1.050 890 K CA 1.274 57.490 56.287 -0.118 0.000 0.945 890 K CB -0.523 31.909 32.500 -0.114 0.000 0.732 890 K HN 0.470 nan 8.250 nan 0.000 0.451 891 I N 0.846 121.302 120.570 -0.190 0.000 2.493 891 I HA -0.229 3.939 4.170 -0.003 0.000 0.254 891 I C 1.908 177.986 176.117 -0.065 0.000 1.160 891 I CA 1.142 62.315 61.300 -0.211 0.000 1.445 891 I CB -0.077 37.661 38.000 -0.436 0.000 1.086 891 I HN 0.266 nan 8.210 nan 0.000 0.433 892 Q N -0.191 119.582 119.800 -0.045 0.000 2.392 892 Q HA -0.024 4.314 4.340 -0.003 0.000 0.203 892 Q C 1.561 177.508 176.000 -0.088 0.000 0.917 892 Q CA 0.339 56.123 55.803 -0.032 0.000 0.939 892 Q CB 0.321 29.075 28.738 0.027 0.000 1.063 892 Q HN 0.581 nan 8.270 nan 0.000 0.516 893 Q N -0.119 119.634 119.800 -0.077 0.000 2.403 893 Q HA 0.043 4.381 4.340 -0.003 0.000 0.203 893 Q C 1.599 177.567 176.000 -0.054 0.000 0.932 893 Q CA -0.038 55.718 55.803 -0.079 0.000 0.945 893 Q CB 0.318 29.017 28.738 -0.064 0.000 1.045 893 Q HN 0.155 nan 8.270 nan 0.000 0.511 894 S N 0.418 116.099 115.700 -0.030 0.000 2.369 894 S HA -0.232 4.236 4.470 -0.003 0.000 0.299 894 S C 0.924 175.513 174.600 -0.017 0.000 1.123 894 S CA 1.825 60.024 58.200 -0.002 0.000 1.430 894 S CB -0.396 62.816 63.200 0.021 0.000 1.297 894 S HN 0.477 nan 8.310 nan 0.000 0.463 895 T N 0.204 114.739 114.554 -0.032 0.000 2.952 895 T HA 0.556 4.904 4.350 -0.003 0.000 0.286 895 T C 1.189 175.850 174.700 -0.066 0.000 1.024 895 T CA -0.225 61.849 62.100 -0.043 0.000 1.029 895 T CB 1.788 70.631 68.868 -0.040 0.000 1.094 895 T HN 0.236 nan 8.240 nan 0.000 0.515 896 V N 0.416 120.290 119.914 -0.068 0.000 0.665 896 V HA -0.348 3.770 4.120 -0.003 0.000 0.092 896 V C 1.673 177.699 176.094 -0.113 0.000 1.156 896 V CA 2.249 64.496 62.300 -0.089 0.000 3.182 896 V CB -2.129 29.635 31.823 -0.099 0.000 0.390 896 V HN 2.123 nan 8.190 nan 0.000 0.374 897 G N 1.316 110.028 108.800 -0.148 0.000 2.353 897 G HA2 -0.311 3.648 3.960 -0.003 0.000 0.294 897 G HA3 -0.311 3.648 3.960 -0.003 0.000 0.294 897 G C -0.121 174.634 174.900 -0.242 0.000 1.077 897 G CA 0.480 45.459 45.100 -0.202 0.000 1.098 897 G HN 1.106 nan 8.290 nan 0.000 0.511 898 N N 1.109 119.660 118.700 -0.248 0.000 2.374 898 N HA 0.056 4.794 4.740 -0.003 0.000 0.298 898 N C 1.547 176.852 175.510 -0.341 0.000 1.273 898 N CA 1.315 54.221 53.050 -0.240 0.000 1.093 898 N CB -0.468 37.900 38.487 -0.198 0.000 1.486 898 N HN 0.754 nan 8.380 nan 0.000 0.488 899 T N 0.668 114.994 114.554 -0.381 0.000 4.358 899 T HA -0.223 4.126 4.350 -0.003 0.000 0.338 899 T C 0.855 174.738 174.700 -1.362 0.000 0.805 899 T CA 1.126 62.825 62.100 -0.668 0.000 1.909 899 T CB -1.725 66.865 68.868 -0.464 0.000 2.045 899 T HN 0.784 nan 8.240 nan 0.000 0.835 900 G N -1.196 107.103 108.800 -0.835 0.000 2.263 900 G HA2 0.439 4.397 3.960 -0.003 0.000 0.207 900 G HA3 0.439 4.397 3.960 -0.003 0.000 0.207 900 G C -0.038 174.528 174.900 -0.556 0.000 1.072 900 G CA -0.096 44.655 45.100 -0.583 0.000 0.800 900 G HN 1.299 nan 8.290 nan 0.000 0.491 901 A N -0.101 122.381 122.820 -0.563 0.000 2.386 901 A HA 0.836 5.154 4.320 -0.003 0.000 0.248 901 A C -0.459 176.636 177.584 -0.814 0.000 1.082 901 A CA 0.296 52.036 52.037 -0.495 0.000 0.789 901 A CB 0.416 19.222 19.000 -0.323 0.000 1.025 901 A HN 0.865 nan 8.150 nan 0.000 0.490 902 F N 0.330 120.051 119.950 -0.382 0.000 2.588 902 F HA 0.440 4.965 4.527 -0.003 0.000 0.314 902 F C -0.073 175.384 175.800 -0.571 0.000 1.134 902 F CA -0.579 57.018 58.000 -0.670 0.000 0.961 902 F CB 2.563 40.790 39.000 -1.288 0.000 1.239 902 F HN 0.579 nan 8.300 nan 0.000 0.448 903 K N 2.000 122.311 120.400 -0.149 0.000 2.482 903 K HA 0.406 4.724 4.320 -0.003 0.000 0.251 903 K C -0.952 175.737 176.600 0.148 0.000 0.936 903 K CA -0.939 55.344 56.287 -0.008 0.000 0.791 903 K CB 2.596 35.082 32.500 -0.023 0.000 1.213 903 K HN 0.289 nan 8.250 nan 0.000 0.428 904 D N 1.790 122.293 120.400 0.171 0.000 2.097 904 D HA -0.122 4.516 4.640 -0.003 0.000 0.197 904 D C 0.743 177.044 176.300 0.002 0.000 0.984 904 D CA 1.481 55.588 54.000 0.178 0.000 0.826 904 D CB 0.332 41.141 40.800 0.015 0.000 0.973 904 D HN 0.630 nan 8.370 nan 0.000 0.460 905 E N 0.170 120.243 120.200 -0.212 0.000 2.502 905 E HA -0.004 4.344 4.350 -0.003 0.000 0.194 905 E C 1.897 178.558 176.600 0.102 0.000 1.062 905 E CA -0.113 56.083 56.400 -0.340 0.000 0.867 905 E CB 0.565 29.931 29.700 -0.557 0.000 0.888 905 E HN 0.105 nan 8.360 nan 0.000 0.510 906 V N 1.185 121.193 119.914 0.157 0.000 2.427 906 V HA -0.240 3.878 4.120 -0.003 0.000 0.248 906 V C 2.261 178.520 176.094 0.275 0.000 1.051 906 V CA 1.244 63.676 62.300 0.221 0.000 1.048 906 V CB -0.374 31.544 31.823 0.158 0.000 0.666 906 V HN 0.345 nan 8.190 nan 0.000 0.456 907 L N 0.328 121.699 121.223 0.247 0.000 2.046 907 L HA -0.207 4.131 4.340 -0.003 0.000 0.208 907 L C 2.594 179.629 176.870 0.275 0.000 1.077 907 L CA 1.784 56.754 54.840 0.218 0.000 0.747 907 L CB -0.497 41.639 42.059 0.128 0.000 0.896 907 L HN 0.468 nan 8.230 nan 0.000 0.432 908 N N -0.694 118.165 118.700 0.264 0.000 2.188 908 N HA -0.222 4.516 4.740 -0.003 0.000 0.184 908 N C 1.742 177.403 175.510 0.252 0.000 1.018 908 N CA 1.346 54.541 53.050 0.242 0.000 0.858 908 N CB -0.027 38.565 38.487 0.175 0.000 0.989 908 N HN 0.508 nan 8.380 nan 0.000 0.426 909 H N -2.002 117.220 119.070 0.254 0.000 2.389 909 H HA -0.112 4.442 4.556 -0.003 0.000 0.299 909 H C 1.545 176.981 175.328 0.180 0.000 1.081 909 H CA 1.267 57.411 56.048 0.160 0.000 1.345 909 H CB -0.050 29.796 29.762 0.139 0.000 1.393 909 H HN 0.352 nan 8.280 nan 0.000 0.520 910 W N 0.958 122.380 121.300 0.203 0.000 2.402 910 W HA -0.125 4.533 4.660 -0.003 0.000 0.286 910 W C 1.375 177.976 176.519 0.137 0.000 1.221 910 W CA 1.063 58.489 57.345 0.136 0.000 1.257 910 W CB -0.163 29.363 29.460 0.110 0.000 1.120 910 W HN 0.092 nan 8.180 nan 0.000 0.551 911 L N 0.508 121.951 121.223 0.367 0.000 2.313 911 L HA -0.076 4.263 4.340 -0.003 0.000 0.214 911 L C 2.278 179.309 176.870 0.268 0.000 1.119 911 L CA 1.178 56.191 54.840 0.288 0.000 0.809 911 L CB -0.486 41.803 42.059 0.383 0.000 0.933 911 L HN -0.137 nan 8.230 nan 0.000 0.449 912 K N -0.357 120.141 120.400 0.163 0.000 2.323 912 K HA -0.087 4.232 4.320 -0.003 0.000 0.197 912 K C 1.995 178.561 176.600 -0.058 0.000 1.043 912 K CA 0.353 56.631 56.287 -0.014 0.000 0.997 912 K CB 0.294 32.641 32.500 -0.256 0.000 0.807 912 K HN 0.150 nan 8.250 nan 0.000 0.497 913 E N 0.411 120.548 120.200 -0.105 0.000 2.107 913 E HA -0.112 4.236 4.350 -0.003 0.000 0.191 913 E C 0.636 177.114 176.600 -0.203 0.000 0.982 913 E CA 0.827 57.133 56.400 -0.156 0.000 0.809 913 E CB 0.347 29.931 29.700 -0.193 0.000 0.756 913 E HN 0.031 nan 8.360 nan 0.000 0.459 914 K N 0.504 120.714 120.400 -0.317 0.000 2.476 914 K HA 0.153 4.472 4.320 -0.003 0.000 0.196 914 K C -0.037 176.488 176.600 -0.126 0.000 1.025 914 K CA 0.039 56.150 56.287 -0.292 0.000 1.138 914 K CB 0.719 32.896 32.500 -0.538 0.000 0.860 914 K HN -0.154 nan 8.250 nan 0.000 0.515 915 S N 1.644 117.313 115.700 -0.053 0.000 2.530 915 S HA 0.312 4.780 4.470 -0.003 0.000 0.322 915 S C -1.920 172.682 174.600 0.004 0.000 1.085 915 S CA -1.470 56.743 58.200 0.022 0.000 1.096 915 S CB 1.458 64.742 63.200 0.139 0.000 0.988 915 S HN -0.070 nan 8.310 nan 0.000 0.466 916 P HA 0.009 nan 4.420 nan 0.000 0.217 916 P C 0.528 177.832 177.300 0.006 0.000 1.151 916 P CA 0.845 63.942 63.100 -0.004 0.000 0.828 916 P CB 0.009 31.707 31.700 -0.002 0.000 0.788 917 T N -4.253 110.316 114.554 0.026 0.000 2.949 917 T HA 0.323 4.671 4.350 -0.003 0.000 0.287 917 T C 0.904 175.643 174.700 0.066 0.000 1.034 917 T CA -0.766 61.354 62.100 0.034 0.000 1.018 917 T CB 1.900 70.788 68.868 0.035 0.000 1.135 917 T HN -0.204 nan 8.240 nan 0.000 0.532 918 E N -0.054 120.183 120.200 0.062 0.000 2.216 918 E HA -0.114 4.234 4.350 -0.003 0.000 0.192 918 E C 1.750 178.448 176.600 0.163 0.000 0.988 918 E CA 0.612 57.076 56.400 0.107 0.000 0.834 918 E CB 0.038 29.773 29.700 0.057 0.000 0.772 918 E HN 0.864 nan 8.360 nan 0.000 0.479 919 E N 0.933 121.194 120.200 0.101 0.000 2.077 919 E HA -0.194 4.155 4.350 -0.003 0.000 0.193 919 E C 1.681 178.332 176.600 0.085 0.000 0.989 919 E CA 1.049 57.500 56.400 0.084 0.000 0.800 919 E CB 0.124 29.856 29.700 0.052 0.000 0.746 919 E HN 0.088 nan 8.360 nan 0.000 0.452 920 K N -0.467 119.985 120.400 0.086 0.000 2.296 920 K HA -0.081 4.237 4.320 -0.003 0.000 0.200 920 K C 1.892 178.546 176.600 0.090 0.000 1.048 920 K CA 0.681 57.010 56.287 0.069 0.000 0.966 920 K CB -0.154 32.379 32.500 0.055 0.000 0.754 920 K HN 0.133 nan 8.250 nan 0.000 0.466 921 F N 2.065 122.018 119.950 0.005 0.000 2.206 921 F HA -0.139 4.386 4.527 -0.003 0.000 0.298 921 F C 2.049 177.855 175.800 0.009 0.000 1.090 921 F CA 1.282 59.283 58.000 0.001 0.000 1.323 921 F CB 0.152 39.148 39.000 -0.005 0.000 1.028 921 F HN -0.055 nan 8.300 nan 0.000 0.492 922 Q N 0.268 120.058 119.800 -0.018 0.000 2.297 922 Q HA -0.002 4.336 4.340 -0.003 0.000 0.204 922 Q C 2.365 178.300 176.000 -0.108 0.000 0.962 922 Q CA 1.047 56.794 55.803 -0.093 0.000 0.879 922 Q CB -0.499 28.293 28.738 0.090 0.000 0.947 922 Q HN 0.552 nan 8.270 nan 0.000 0.462 923 A N 0.711 123.497 122.820 -0.057 0.000 2.016 923 A HA 0.102 4.420 4.320 -0.003 0.000 0.217 923 A C 2.203 179.756 177.584 -0.053 0.000 1.162 923 A CA 1.254 53.276 52.037 -0.026 0.000 0.662 923 A CB -0.210 18.794 19.000 0.007 0.000 0.812 923 A HN 0.316 nan 8.150 nan 0.000 0.450 924 A N -0.622 122.118 122.820 -0.132 0.000 1.930 924 A HA 0.148 4.467 4.320 -0.003 0.000 0.215 924 A C 2.113 179.595 177.584 -0.170 0.000 1.176 924 A CA 1.384 53.349 52.037 -0.120 0.000 0.632 924 A CB -0.593 18.328 19.000 -0.131 0.000 0.819 924 A HN 0.292 nan 8.150 nan 0.000 0.445 925 V N -0.108 119.576 119.914 -0.384 0.000 2.358 925 V HA -0.205 3.913 4.120 -0.003 0.000 0.246 925 V C 2.482 178.443 176.094 -0.220 0.000 1.047 925 V CA 2.281 64.355 62.300 -0.377 0.000 1.035 925 V CB -0.680 30.795 31.823 -0.579 0.000 0.658 925 V HN 0.573 nan 8.190 nan 0.000 0.452 926 E N 0.067 120.160 120.200 -0.178 0.000 2.110 926 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 926 E C 2.356 179.004 176.600 0.080 0.000 0.988 926 E CA 1.264 57.623 56.400 -0.068 0.000 0.804 926 E CB -0.246 29.487 29.700 0.056 0.000 0.745 926 E HN 0.431 nan 8.360 nan 0.000 0.458 927 R N -0.914 119.652 120.500 0.109 0.000 2.092 927 R HA -0.109 4.230 4.340 -0.003 0.000 0.231 927 R C 2.018 178.417 176.300 0.165 0.000 1.119 927 R CA 1.236 57.438 56.100 0.171 0.000 0.970 927 R CB -0.345 30.026 30.300 0.119 0.000 0.864 927 R HN 0.261 nan 8.270 nan 0.000 0.440 928 F N -0.138 119.790 119.950 -0.036 0.000 2.407 928 F HA -0.044 4.481 4.527 -0.003 0.000 0.299 928 F C 1.438 177.201 175.800 -0.062 0.000 1.097 928 F CA 0.725 58.687 58.000 -0.063 0.000 1.422 928 F CB 0.255 39.172 39.000 -0.139 0.000 1.067 928 F HN -0.179 nan 8.300 nan 0.000 0.539 929 V N -0.572 119.315 119.914 -0.045 0.000 2.535 929 V HA -0.241 3.877 4.120 -0.003 0.000 0.246 929 V C 1.842 177.832 176.094 -0.173 0.000 1.045 929 V CA 1.687 63.912 62.300 -0.125 0.000 1.058 929 V CB -0.850 30.846 31.823 -0.211 0.000 0.689 929 V HN 0.342 nan 8.190 nan 0.000 0.461 930 Y N 1.189 121.454 120.300 -0.059 0.000 2.184 930 Y HA -0.201 4.347 4.550 -0.003 0.000 0.290 930 Y C 2.928 178.760 175.900 -0.114 0.000 1.129 930 Y CA 1.564 59.595 58.100 -0.115 0.000 1.144 930 Y CB -0.464 37.920 38.460 -0.126 0.000 0.995 930 Y HN 0.377 nan 8.280 nan 0.000 0.513 931 S N -1.210 114.541 115.700 0.085 0.000 2.368 931 S HA -0.256 4.213 4.470 -0.003 0.000 0.224 931 S C 2.121 176.774 174.600 0.089 0.000 1.029 931 S CA 1.062 59.331 58.200 0.114 0.000 0.988 931 S CB -1.311 61.977 63.200 0.146 0.000 0.838 931 S HN 0.596 nan 8.310 nan 0.000 0.462 932 C N 2.163 121.351 119.300 -0.186 0.000 2.429 932 C HA 0.225 4.683 4.460 -0.003 0.000 0.277 932 C C 3.123 178.221 174.990 0.180 0.000 1.262 932 C CA 0.830 59.743 59.018 -0.174 0.000 1.733 932 C CB -1.760 25.556 27.740 -0.706 0.000 2.010 932 C HN 0.692 nan 8.230 nan 0.000 0.483 933 A N 0.160 123.072 122.820 0.155 0.000 1.969 933 A HA 0.143 4.462 4.320 -0.003 0.000 0.218 933 A C 2.418 179.910 177.584 -0.154 0.000 1.169 933 A CA 1.921 53.922 52.037 -0.061 0.000 0.635 933 A CB -1.272 17.529 19.000 -0.331 0.000 0.810 933 A HN 0.672 nan 8.150 nan 0.000 0.445 934 G N -1.819 106.910 108.800 -0.118 0.000 2.402 934 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.216 934 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.216 934 G C 1.436 176.293 174.900 -0.071 0.000 1.162 934 G CA 1.078 46.059 45.100 -0.197 0.000 0.777 934 G HN 0.562 nan 8.290 nan 0.000 0.539 935 Y N -0.342 120.002 120.300 0.074 0.000 2.475 935 Y HA 0.038 4.586 4.550 -0.003 0.000 0.289 935 Y C 2.936 178.850 175.900 0.023 0.000 1.121 935 Y CA 0.103 58.241 58.100 0.062 0.000 1.257 935 Y CB -0.044 38.485 38.460 0.114 0.000 1.026 935 Y HN 0.213 nan 8.280 nan 0.000 0.555 936 C N -1.042 118.343 119.300 0.142 0.000 2.429 936 C HA -0.129 4.329 4.460 -0.003 0.000 0.277 936 C C 2.673 177.575 174.990 -0.147 0.000 1.262 936 C CA 1.043 59.991 59.018 -0.117 0.000 1.733 936 C CB -0.929 26.669 27.740 -0.237 0.000 2.010 936 C HN 0.338 nan 8.230 nan 0.000 0.483 937 V N 0.952 120.850 119.914 -0.027 0.000 2.302 937 V HA -0.090 4.029 4.120 -0.003 0.000 0.243 937 V C 2.698 178.916 176.094 0.207 0.000 1.036 937 V CA 2.004 64.332 62.300 0.048 0.000 1.020 937 V CB -1.322 30.441 31.823 -0.100 0.000 0.657 937 V HN 0.542 nan 8.190 nan 0.000 0.453 938 A N -0.764 122.176 122.820 0.200 0.000 1.948 938 A HA -0.297 4.021 4.320 -0.003 0.000 0.220 938 A C 2.420 180.088 177.584 0.140 0.000 1.177 938 A CA 2.759 54.881 52.037 0.143 0.000 0.636 938 A CB -0.909 18.129 19.000 0.063 0.000 0.815 938 A HN 0.471 nan 8.150 nan 0.000 0.449 939 T N -2.151 112.509 114.554 0.178 0.000 3.014 939 T HA -0.010 4.338 4.350 -0.003 0.000 0.263 939 T C 1.477 176.384 174.700 0.346 0.000 1.078 939 T CA 1.172 63.404 62.100 0.220 0.000 1.135 939 T CB -0.359 68.613 68.868 0.174 0.000 0.895 939 T HN 0.436 nan 8.240 nan 0.000 0.480 940 F N 1.387 121.490 119.950 0.255 0.000 2.186 940 F HA 0.064 4.589 4.527 -0.003 0.000 0.299 940 F C 2.031 178.053 175.800 0.370 0.000 1.090 940 F CA 0.625 58.842 58.000 0.361 0.000 1.307 940 F CB -0.652 38.598 39.000 0.416 0.000 1.019 940 F HN -0.036 nan 8.300 nan 0.000 0.489 941 V N 0.689 120.666 119.914 0.105 0.000 2.427 941 V HA -0.258 3.861 4.120 -0.003 0.000 0.248 941 V C 2.289 178.370 176.094 -0.022 0.000 1.051 941 V CA 1.884 64.153 62.300 -0.052 0.000 1.048 941 V CB -0.584 31.267 31.823 0.047 0.000 0.666 941 V HN 0.338 nan 8.190 nan 0.000 0.456 942 L N 0.082 121.353 121.223 0.079 0.000 2.509 942 L HA 0.332 4.670 4.340 -0.003 0.000 0.222 942 L C 1.604 178.548 176.870 0.125 0.000 1.123 942 L CA 0.793 55.711 54.840 0.130 0.000 0.856 942 L CB -0.478 41.687 42.059 0.177 0.000 0.985 942 L HN 0.503 nan 8.230 nan 0.000 0.456 943 G N 2.052 110.903 108.800 0.085 0.000 2.225 943 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.264 943 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.264 943 G C 0.381 175.268 174.900 -0.022 0.000 1.060 943 G CA 0.497 45.462 45.100 -0.225 0.000 0.833 943 G HN 0.584 nan 8.290 nan 0.000 0.498 944 I N -3.745 116.916 120.570 0.152 0.000 3.176 944 I HA 0.646 4.814 4.170 -0.003 0.000 0.339 944 I C 1.164 177.454 176.117 0.288 0.000 1.505 944 I CA -0.077 61.352 61.300 0.216 0.000 0.969 944 I CB 0.578 38.740 38.000 0.270 0.000 1.636 944 I HN 0.039 nan 8.210 nan 0.000 0.523 945 G N -0.280 108.699 108.800 0.299 0.000 3.020 945 G HA2 0.047 4.006 3.960 -0.003 0.000 0.217 945 G HA3 0.047 4.006 3.960 -0.003 0.000 0.217 945 G C 0.117 175.202 174.900 0.309 0.000 1.144 945 G CA -0.055 45.270 45.100 0.375 0.000 0.760 945 G HN 0.318 nan 8.290 nan 0.000 0.548 946 D N 1.494 122.030 120.400 0.226 0.000 2.453 946 D HA 0.299 4.938 4.640 -0.003 0.000 0.223 946 D C -0.039 176.362 176.300 0.168 0.000 1.183 946 D CA 0.081 54.178 54.000 0.162 0.000 0.933 946 D CB 0.424 41.297 40.800 0.122 0.000 1.038 946 D HN 0.011 nan 8.370 nan 0.000 0.513 947 R N 1.619 122.218 120.500 0.165 0.000 2.725 947 R HA 0.225 4.563 4.340 -0.003 0.000 0.277 947 R C -0.250 176.114 176.300 0.107 0.000 0.987 947 R CA -0.902 55.284 56.100 0.144 0.000 0.901 947 R CB 1.283 31.682 30.300 0.166 0.000 1.207 947 R HN 0.409 nan 8.270 nan 0.000 0.463 948 H N 1.824 120.852 119.070 -0.070 0.000 2.732 948 H HA 0.130 4.684 4.556 -0.003 0.000 0.351 948 H C 0.915 176.123 175.328 -0.199 0.000 1.090 948 H CA 0.133 56.071 56.048 -0.183 0.000 1.431 948 H CB 0.737 30.246 29.762 -0.421 0.000 1.447 948 H HN 0.388 nan 8.280 nan 0.000 0.582 949 N N 2.906 121.585 118.700 -0.036 0.000 2.182 949 N HA -0.230 4.508 4.740 -0.003 0.000 0.192 949 N C 1.262 176.501 175.510 -0.451 0.000 1.007 949 N CA 1.634 54.547 53.050 -0.229 0.000 0.873 949 N CB -0.174 38.266 38.487 -0.078 0.000 0.998 949 N HN 0.720 nan 8.380 nan 0.000 0.436 950 D N 0.040 119.930 120.400 -0.849 0.000 2.144 950 D HA -0.040 4.598 4.640 -0.003 0.000 0.199 950 D C 0.354 176.410 176.300 -0.406 0.000 0.984 950 D CA 0.948 54.561 54.000 -0.645 0.000 0.834 950 D CB -0.190 40.127 40.800 -0.804 0.000 0.955 950 D HN 0.391 nan 8.370 nan 0.000 0.465 951 N N -0.793 117.693 118.700 -0.357 0.000 2.346 951 N HA 0.225 4.964 4.740 -0.003 0.000 0.225 951 N C -0.754 174.531 175.510 -0.376 0.000 1.144 951 N CA -0.038 52.834 53.050 -0.297 0.000 0.837 951 N CB 0.629 38.991 38.487 -0.209 0.000 1.069 951 N HN 0.197 nan 8.380 nan 0.000 0.487 952 I N 0.832 121.158 120.570 -0.407 0.000 2.534 952 I HA 0.323 4.492 4.170 -0.003 0.000 0.288 952 I C -0.604 175.244 176.117 -0.448 0.000 1.077 952 I CA -0.500 60.505 61.300 -0.492 0.000 1.051 952 I CB 1.686 39.430 38.000 -0.427 0.000 1.234 952 I HN -0.117 nan 8.210 nan 0.000 0.425 953 M N 6.057 125.251 119.600 -0.676 0.000 2.821 953 M HA 0.665 5.144 4.480 -0.003 0.000 0.304 953 M C -0.916 175.057 176.300 -0.545 0.000 1.233 953 M CA -0.889 54.004 55.300 -0.679 0.000 0.851 953 M CB 3.138 35.186 32.600 -0.921 0.000 1.723 953 M HN 0.466 nan 8.290 nan 0.000 0.493 954 I N 0.253 120.681 120.570 -0.237 0.000 2.802 954 I HA 0.434 4.602 4.170 -0.003 0.000 0.298 954 I C -0.282 175.998 176.117 0.271 0.000 1.176 954 I CA -0.374 60.968 61.300 0.070 0.000 1.025 954 I CB 2.590 40.618 38.000 0.047 0.000 1.243 954 I HN 0.899 nan 8.210 nan 0.000 0.424 955 T N 1.146 115.942 114.554 0.402 0.000 2.788 955 T HA 0.281 4.629 4.350 -0.003 0.000 0.280 955 T C 0.767 175.742 174.700 0.459 0.000 0.984 955 T CA -0.379 61.959 62.100 0.397 0.000 0.972 955 T CB 1.036 70.082 68.868 0.296 0.000 1.039 955 T HN 0.686 nan 8.240 nan 0.000 0.530 956 E N -0.476 119.931 120.200 0.345 0.000 2.347 956 E HA -0.061 4.287 4.350 -0.003 0.000 0.196 956 E C 1.402 178.074 176.600 0.121 0.000 1.008 956 E CA 0.765 57.269 56.400 0.173 0.000 0.852 956 E CB 0.003 29.730 29.700 0.045 0.000 0.783 956 E HN 0.709 nan 8.360 nan 0.000 0.505 957 T N -1.487 113.162 114.554 0.158 0.000 3.176 957 T HA 0.275 4.623 4.350 -0.003 0.000 0.263 957 T C 0.918 175.696 174.700 0.130 0.000 1.021 957 T CA 0.668 62.834 62.100 0.111 0.000 0.905 957 T CB 0.147 69.065 68.868 0.084 0.000 1.057 957 T HN 0.346 nan 8.240 nan 0.000 0.558 958 G N 1.779 110.698 108.800 0.197 0.000 2.213 958 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.236 958 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.236 958 G C 0.173 175.229 174.900 0.261 0.000 0.991 958 G CA -0.134 45.090 45.100 0.206 0.000 0.629 958 G HN 0.551 nan 8.290 nan 0.000 0.517 959 N N 1.143 119.989 118.700 0.244 0.000 2.400 959 N HA 0.327 5.065 4.740 -0.003 0.000 0.267 959 N C 0.397 176.121 175.510 0.356 0.000 1.208 959 N CA -0.009 53.197 53.050 0.261 0.000 0.951 959 N CB 0.420 39.036 38.487 0.214 0.000 1.227 959 N HN 0.513 nan 8.380 nan 0.000 0.488 960 L N 4.836 126.222 121.223 0.271 0.000 2.452 960 L HA 0.433 4.771 4.340 -0.003 0.000 0.267 960 L C -0.516 176.555 176.870 0.334 0.000 1.188 960 L CA -0.005 54.944 54.840 0.183 0.000 0.821 960 L CB 0.184 42.200 42.059 -0.072 0.000 1.102 960 L HN 0.493 nan 8.230 nan 0.000 0.470 961 F N 0.515 120.384 119.950 -0.136 0.000 2.703 961 F HA 0.440 4.965 4.527 -0.003 0.000 0.308 961 F C -1.047 174.531 175.800 -0.370 0.000 1.126 961 F CA -1.086 56.614 58.000 -0.501 0.000 0.959 961 F CB 0.764 39.728 39.000 -0.060 0.000 1.297 961 F HN 0.400 nan 8.300 nan 0.000 0.441 962 H N 2.390 121.068 119.070 -0.653 0.000 2.505 962 H HA 0.769 5.323 4.556 -0.003 0.000 0.351 962 H C -0.336 174.977 175.328 -0.024 0.000 1.151 962 H CA -0.264 55.637 56.048 -0.244 0.000 1.339 962 H CB 2.349 32.127 29.762 0.027 0.000 1.483 962 H HN 0.745 nan 8.280 nan 0.000 0.558 963 I N -2.013 118.448 120.570 -0.181 0.000 3.145 963 I HA 0.321 4.489 4.170 -0.003 0.000 0.313 963 I C -0.535 175.194 176.117 -0.647 0.000 1.122 963 I CA -1.107 60.058 61.300 -0.225 0.000 0.987 963 I CB 1.973 39.919 38.000 -0.089 0.000 1.236 963 I HN 0.474 nan 8.210 nan 0.000 0.453 964 D N 1.455 121.580 120.400 -0.459 0.000 3.187 964 D HA -0.204 4.434 4.640 -0.003 0.000 0.244 964 D C -0.295 175.818 176.300 -0.311 0.000 1.114 964 D CA 0.739 54.574 54.000 -0.274 0.000 0.920 964 D CB -0.747 39.965 40.800 -0.147 0.000 0.970 964 D HN 0.587 nan 8.370 nan 0.000 0.418 965 F N -0.127 119.898 119.950 0.126 0.000 2.797 965 F HA 0.265 4.790 4.527 -0.003 0.000 0.302 965 F C 2.297 178.145 175.800 0.079 0.000 1.130 965 F CA 0.208 58.275 58.000 0.111 0.000 1.387 965 F CB 0.262 39.319 39.000 0.096 0.000 1.107 965 F HN 0.301 nan 8.300 nan 0.000 0.577 966 G N 0.569 109.473 108.800 0.174 0.000 2.202 966 G HA2 -0.018 3.940 3.960 -0.003 0.000 0.251 966 G HA3 -0.018 3.940 3.960 -0.003 0.000 0.251 966 G C 0.011 175.002 174.900 0.152 0.000 1.219 966 G CA -0.018 45.143 45.100 0.102 0.000 0.943 966 G HN 0.246 nan 8.290 nan 0.000 0.465 982 R N 0.526 121.031 120.500 0.008 0.000 2.854 982 R HA 0.744 5.082 4.340 -0.003 0.000 0.271 982 R C -1.209 175.075 176.300 -0.027 0.000 0.994 982 R CA -1.071 55.035 56.100 0.011 0.000 0.945 982 R CB 2.460 32.781 30.300 0.035 0.000 1.194 982 R HN 0.279 nan 8.270 nan 0.000 0.476 983 V N 3.054 122.947 119.914 -0.035 0.000 2.686 983 V HA 0.273 4.392 4.120 -0.003 0.000 0.306 983 V C -1.759 174.275 176.094 -0.101 0.000 1.065 983 V CA -2.098 60.128 62.300 -0.122 0.000 0.894 983 V CB 2.441 34.170 31.823 -0.156 0.000 1.004 983 V HN 0.614 nan 8.190 nan 0.000 0.424 984 P HA -0.033 nan 4.420 nan 0.000 0.218 984 P C -0.072 177.339 177.300 0.185 0.000 1.148 984 P CA 1.454 64.535 63.100 -0.032 0.000 0.822 984 P CB -0.018 31.457 31.700 -0.374 0.000 0.784 985 F N -4.822 115.148 119.950 0.035 0.000 2.817 985 F HA 0.492 5.017 4.527 -0.003 0.000 0.317 985 F C -1.194 174.652 175.800 0.076 0.000 1.168 985 F CA -1.763 56.311 58.000 0.123 0.000 0.911 985 F CB 0.512 39.617 39.000 0.174 0.000 1.337 985 F HN -0.497 nan 8.300 nan 0.000 0.464 986 V N 2.629 122.790 119.914 0.410 0.000 2.356 986 V HA 0.355 4.473 4.120 -0.003 0.000 0.258 986 V C -0.610 175.596 176.094 0.186 0.000 1.065 986 V CA -0.021 62.376 62.300 0.162 0.000 0.935 986 V CB 0.600 32.503 31.823 0.134 0.000 1.061 986 V HN 0.607 nan 8.190 nan 0.000 0.484 987 L N 6.810 128.009 121.223 -0.039 0.000 2.551 987 L HA 0.426 4.764 4.340 -0.003 0.000 0.248 987 L C 0.714 177.390 176.870 -0.324 0.000 1.509 987 L CA 0.034 54.859 54.840 -0.025 0.000 0.842 987 L CB 0.830 43.008 42.059 0.199 0.000 1.087 987 L HN 0.689 nan 8.230 nan 0.000 0.512 988 T N -0.412 113.737 114.554 -0.676 0.000 2.748 988 T HA 0.221 4.569 4.350 -0.003 0.000 0.304 988 T C -1.748 172.585 174.700 -0.612 0.000 1.041 988 T CA -0.951 60.684 62.100 -0.775 0.000 1.033 988 T CB 0.067 68.383 68.868 -0.920 0.000 0.995 988 T HN 0.229 nan 8.240 nan 0.000 0.536 989 P HA -0.093 nan 4.420 nan 0.000 0.221 989 P C 1.196 178.425 177.300 -0.118 0.000 1.145 989 P CA 0.959 63.783 63.100 -0.460 0.000 0.795 989 P CB -0.076 31.258 31.700 -0.611 0.000 0.775 990 D N -1.302 119.078 120.400 -0.034 0.000 2.183 990 D HA -0.168 4.471 4.640 -0.003 0.000 0.203 990 D C 1.616 178.153 176.300 0.396 0.000 0.969 990 D CA 1.076 55.248 54.000 0.286 0.000 0.842 990 D CB -1.314 39.749 40.800 0.439 0.000 0.957 990 D HN 0.082 nan 8.370 nan 0.000 0.484 991 F N 0.793 120.802 119.950 0.099 0.000 2.146 991 F HA 0.104 4.630 4.527 -0.003 0.000 0.298 991 F C 2.386 178.264 175.800 0.129 0.000 1.096 991 F CA 0.241 58.376 58.000 0.226 0.000 1.275 991 F CB -0.906 38.260 39.000 0.276 0.000 1.008 991 F HN -0.027 nan 8.300 nan 0.000 0.480 992 L N -1.805 119.553 121.223 0.224 0.000 2.217 992 L HA -0.188 4.150 4.340 -0.003 0.000 0.211 992 L C 2.283 179.209 176.870 0.093 0.000 1.107 992 L CA 0.674 55.558 54.840 0.073 0.000 0.783 992 L CB -0.697 41.316 42.059 -0.076 0.000 0.919 992 L HN 0.008 nan 8.230 nan 0.000 0.442 993 F N -0.393 119.561 119.950 0.007 0.000 2.407 993 F HA -0.083 4.442 4.527 -0.003 0.000 0.299 993 F C 2.015 177.812 175.800 -0.005 0.000 1.097 993 F CA 0.837 58.837 58.000 0.001 0.000 1.422 993 F CB -0.052 38.959 39.000 0.018 0.000 1.067 993 F HN -0.227 nan 8.300 nan 0.000 0.539 994 V N 0.472 120.300 119.914 -0.143 0.000 2.453 994 V HA -0.291 3.828 4.120 -0.003 0.000 0.247 994 V C 2.223 178.194 176.094 -0.204 0.000 1.048 994 V CA 1.987 64.106 62.300 -0.301 0.000 1.049 994 V CB -0.576 30.895 31.823 -0.586 0.000 0.672 994 V HN 0.310 nan 8.190 nan 0.000 0.457 995 M N 0.017 119.584 119.600 -0.055 0.000 2.630 995 M HA 0.197 4.675 4.480 -0.003 0.000 0.254 995 M C 1.366 177.709 176.300 0.071 0.000 1.092 995 M CA 1.078 56.415 55.300 0.063 0.000 1.087 995 M CB -0.101 32.594 32.600 0.159 0.000 1.453 995 M HN 0.502 nan 8.290 nan 0.000 0.509 996 G N 1.585 110.340 108.800 -0.075 0.000 2.248 996 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.252 996 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.252 996 G C -0.290 174.599 174.900 -0.019 0.000 1.085 996 G CA 0.019 45.066 45.100 -0.089 0.000 0.845 996 G HN 0.392 nan 8.290 nan 0.000 0.494 997 T N -0.031 114.520 114.554 -0.006 0.000 3.237 997 T HA 0.562 4.911 4.350 -0.003 0.000 0.319 997 T C -0.002 174.696 174.700 -0.003 0.000 1.037 997 T CA 0.099 62.172 62.100 -0.045 0.000 1.048 997 T CB 1.677 70.418 68.868 -0.212 0.000 1.081 997 T HN 1.161 nan 8.240 nan 0.000 0.455 998 S N 1.328 117.034 115.700 0.009 0.000 2.217 998 S HA 0.635 5.103 4.470 -0.003 0.000 0.168 998 S C 0.674 175.237 174.600 -0.062 0.000 1.526 998 S CA -0.387 57.818 58.200 0.009 0.000 1.150 998 S CB 0.122 63.359 63.200 0.061 0.000 1.158 998 S HN 1.652 nan 8.310 nan 0.000 0.473 999 G N 2.281 111.005 108.800 -0.126 0.000 3.391 999 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.675 999 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.675 999 G C -0.062 174.768 174.900 -0.116 0.000 0.899 999 G CA -0.651 44.365 45.100 -0.139 0.000 0.755 999 G HN 0.789 nan 8.290 nan 0.000 0.475 1000 K N 0.256 120.576 120.400 -0.133 0.000 3.619 1000 K HA -0.165 4.153 4.320 -0.003 0.000 0.275 1000 K C 0.272 176.827 176.600 -0.076 0.000 0.993 1000 K CA 2.014 58.247 56.287 -0.091 0.000 0.787 1000 K CB -1.040 31.423 32.500 -0.061 0.000 1.431 1000 K HN 1.180 nan 8.250 nan 0.000 0.451 1001 K N -0.462 119.872 120.400 -0.109 0.000 2.615 1001 K HA 0.435 4.754 4.320 -0.003 0.000 0.291 1001 K C -1.056 175.488 176.600 -0.092 0.000 1.017 1001 K CA -0.516 55.728 56.287 -0.072 0.000 0.882 1001 K CB 1.607 34.071 32.500 -0.060 0.000 1.522 1001 K HN 0.106 nan 8.250 nan 0.000 0.412 1002 T N 0.248 114.804 114.554 0.004 0.000 2.906 1002 T HA 0.595 4.943 4.350 -0.003 0.000 0.295 1002 T C -0.997 173.772 174.700 0.115 0.000 1.075 1002 T CA -0.830 61.340 62.100 0.117 0.000 1.005 1002 T CB 1.541 70.527 68.868 0.196 0.000 1.136 1002 T HN 0.657 nan 8.240 nan 0.000 0.498 1003 S N 0.298 116.120 115.700 0.203 0.000 2.596 1003 S HA 0.573 5.042 4.470 -0.003 0.000 0.270 1003 S C -2.637 172.050 174.600 0.144 0.000 1.155 1003 S CA -1.330 56.950 58.200 0.133 0.000 0.827 1003 S CB 1.396 64.654 63.200 0.096 0.000 1.130 1003 S HN 0.314 nan 8.310 nan 0.000 0.467 1004 P HA -0.097 nan 4.420 nan 0.000 0.215 1004 P C 1.129 178.444 177.300 0.025 0.000 1.153 1004 P CA 1.448 64.543 63.100 -0.009 0.000 0.853 1004 P CB -0.112 31.518 31.700 -0.116 0.000 0.788 1005 H N -2.486 116.628 119.070 0.073 0.000 2.428 1005 H HA -0.001 4.554 4.556 -0.003 0.000 0.296 1005 H C 1.770 177.179 175.328 0.135 0.000 1.062 1005 H CA 0.802 56.890 56.048 0.067 0.000 1.350 1005 H CB -0.908 28.882 29.762 0.046 0.000 1.403 1005 H HN 0.122 nan 8.280 nan 0.000 0.533 1006 F N 1.721 121.767 119.950 0.161 0.000 2.325 1006 F HA -0.091 4.434 4.527 -0.003 0.000 0.299 1006 F C 2.212 178.116 175.800 0.175 0.000 1.090 1006 F CA 0.873 58.965 58.000 0.152 0.000 1.392 1006 F CB 0.014 39.070 39.000 0.093 0.000 1.053 1006 F HN 0.039 nan 8.300 nan 0.000 0.521 1007 Q N 0.130 119.949 119.800 0.031 0.000 2.119 1007 Q HA -0.193 4.145 4.340 -0.003 0.000 0.201 1007 Q C 2.216 178.161 176.000 -0.092 0.000 0.972 1007 Q CA 1.613 57.371 55.803 -0.074 0.000 0.847 1007 Q CB -0.154 28.591 28.738 0.012 0.000 0.903 1007 Q HN 0.349 nan 8.270 nan 0.000 0.433 1008 K N -0.022 120.366 120.400 -0.020 0.000 2.057 1008 K HA -0.170 4.148 4.320 -0.003 0.000 0.207 1008 K C 1.754 178.293 176.600 -0.102 0.000 1.049 1008 K CA 1.230 57.488 56.287 -0.048 0.000 0.931 1008 K CB -0.145 32.352 32.500 -0.004 0.000 0.714 1008 K HN 0.138 nan 8.250 nan 0.000 0.440 1009 F N 1.777 121.602 119.950 -0.209 0.000 2.102 1009 F HA -0.208 4.317 4.527 -0.003 0.000 0.298 1009 F C 2.127 177.783 175.800 -0.240 0.000 1.105 1009 F CA 1.539 59.409 58.000 -0.218 0.000 1.239 1009 F CB -0.194 38.732 39.000 -0.124 0.000 0.991 1009 F HN 0.077 nan 8.300 nan 0.000 0.474 1010 Q N 0.112 119.704 119.800 -0.347 0.000 2.096 1010 Q HA -0.233 4.106 4.340 -0.003 0.000 0.204 1010 Q C 1.951 177.777 176.000 -0.290 0.000 0.982 1010 Q CA 1.818 57.398 55.803 -0.372 0.000 0.850 1010 Q CB -0.341 28.176 28.738 -0.369 0.000 0.901 1010 Q HN 0.484 nan 8.270 nan 0.000 0.422 1011 D N 0.454 120.715 120.400 -0.232 0.000 2.084 1011 D HA -0.137 4.501 4.640 -0.003 0.000 0.194 1011 D C 1.901 178.077 176.300 -0.207 0.000 0.990 1011 D CA 1.061 54.961 54.000 -0.167 0.000 0.826 1011 D CB -0.148 40.584 40.800 -0.114 0.000 0.971 1011 D HN 0.227 nan 8.370 nan 0.000 0.453 1012 I N 0.688 121.100 120.570 -0.263 0.000 2.264 1012 I HA -0.291 3.878 4.170 -0.003 0.000 0.248 1012 I C 2.660 178.543 176.117 -0.389 0.000 1.111 1012 I CA 0.564 61.690 61.300 -0.290 0.000 1.382 1012 I CB -0.111 37.712 38.000 -0.294 0.000 1.060 1012 I HN 0.082 nan 8.210 nan 0.000 0.418 1013 C N -0.139 118.871 119.300 -0.485 0.000 2.436 1013 C HA -0.120 4.338 4.460 -0.003 0.000 0.277 1013 C C 2.877 177.614 174.990 -0.422 0.000 1.241 1013 C CA 0.754 59.464 59.018 -0.515 0.000 1.721 1013 C CB -0.602 26.843 27.740 -0.491 0.000 2.043 1013 C HN 0.348 nan 8.230 nan 0.000 0.472 1014 V N 0.693 120.448 119.914 -0.265 0.000 2.427 1014 V HA -0.206 3.913 4.120 -0.003 0.000 0.248 1014 V C 2.377 178.406 176.094 -0.108 0.000 1.051 1014 V CA 1.759 63.982 62.300 -0.128 0.000 1.048 1014 V CB -0.680 31.122 31.823 -0.034 0.000 0.666 1014 V HN 0.539 nan 8.190 nan 0.000 0.456 1015 K N 0.261 120.576 120.400 -0.141 0.000 2.074 1015 K HA -0.196 4.122 4.320 -0.003 0.000 0.209 1015 K C 2.204 178.721 176.600 -0.138 0.000 1.048 1015 K CA 1.731 57.947 56.287 -0.117 0.000 0.926 1015 K CB -0.358 32.063 32.500 -0.132 0.000 0.713 1015 K HN 0.504 nan 8.250 nan 0.000 0.444 1016 A N -0.358 122.309 122.820 -0.255 0.000 1.970 1016 A HA -0.120 4.198 4.320 -0.003 0.000 0.216 1016 A C 1.912 179.534 177.584 0.063 0.000 1.170 1016 A CA 0.801 52.676 52.037 -0.270 0.000 0.645 1016 A CB -0.430 18.160 19.000 -0.682 0.000 0.816 1016 A HN 0.394 nan 8.150 nan 0.000 0.447 1017 Y N 0.526 120.680 120.300 -0.244 0.000 2.243 1017 Y HA 0.024 4.573 4.550 -0.003 0.000 0.293 1017 Y C 1.852 177.659 175.900 -0.155 0.000 1.124 1017 Y CA 1.247 59.197 58.100 -0.250 0.000 1.159 1017 Y CB -0.323 37.825 38.460 -0.521 0.000 1.008 1017 Y HN 0.190 nan 8.280 nan 0.000 0.527 1018 L N -0.381 120.702 121.223 -0.233 0.000 2.083 1018 L HA -0.185 4.153 4.340 -0.003 0.000 0.209 1018 L C 2.697 179.267 176.870 -0.500 0.000 1.083 1018 L CA 1.201 55.814 54.840 -0.378 0.000 0.752 1018 L CB -0.961 40.980 42.059 -0.197 0.000 0.899 1018 L HN 0.275 nan 8.230 nan 0.000 0.433 1019 A N -0.122 122.612 122.820 -0.142 0.000 1.969 1019 A HA -0.117 4.202 4.320 -0.003 0.000 0.218 1019 A C 2.244 179.908 177.584 0.135 0.000 1.169 1019 A CA 1.218 53.319 52.037 0.107 0.000 0.635 1019 A CB -0.505 18.683 19.000 0.312 0.000 0.810 1019 A HN 0.369 nan 8.150 nan 0.000 0.445 1020 L N -1.484 119.782 121.223 0.070 0.000 2.179 1020 L HA -0.055 4.283 4.340 -0.003 0.000 0.208 1020 L C 2.701 179.534 176.870 -0.062 0.000 1.096 1020 L CA 0.794 55.645 54.840 0.019 0.000 0.779 1020 L CB -0.332 41.742 42.059 0.025 0.000 0.922 1020 L HN 0.344 nan 8.230 nan 0.000 0.443 1021 R N -0.846 119.499 120.500 -0.258 0.000 2.189 1021 R HA -0.102 4.236 4.340 -0.003 0.000 0.218 1021 R C 1.800 177.982 176.300 -0.197 0.000 1.074 1021 R CA 0.732 56.656 56.100 -0.293 0.000 0.991 1021 R CB -0.238 29.790 30.300 -0.453 0.000 0.883 1021 R HN 0.506 nan 8.270 nan 0.000 0.457 1022 H N -1.305 117.723 119.070 -0.070 0.000 2.561 1022 H HA -0.014 4.540 4.556 -0.003 0.000 0.278 1022 H C 0.419 175.504 175.328 -0.405 0.000 1.014 1022 H CA 0.513 56.454 56.048 -0.178 0.000 1.211 1022 H CB 0.189 29.865 29.762 -0.144 0.000 1.365 1022 H HN 0.265 nan 8.280 nan 0.000 0.594 1023 H N -1.069 118.013 119.070 0.020 0.000 2.637 1023 H HA 0.113 4.667 4.556 -0.003 0.000 0.245 1023 H C 0.939 176.246 175.328 -0.035 0.000 1.190 1023 H CA -0.012 56.032 56.048 -0.007 0.000 0.934 1023 H CB 0.742 30.492 29.762 -0.020 0.000 1.950 1023 H HN 0.237 nan 8.280 nan 0.000 0.614 1024 T N 1.142 115.701 114.554 0.009 0.000 2.635 1024 T HA -0.179 4.169 4.350 -0.003 0.000 0.267 1024 T C 1.861 176.562 174.700 0.002 0.000 1.040 1024 T CA 1.792 63.879 62.100 -0.022 0.000 1.156 1024 T CB 0.089 68.924 68.868 -0.055 0.000 0.863 1024 T HN 0.410 nan 8.240 nan 0.000 0.430 1025 N N 0.953 119.658 118.700 0.009 0.000 2.120 1025 N HA 0.033 4.772 4.740 -0.003 0.000 0.188 1025 N C 1.775 177.306 175.510 0.035 0.000 1.024 1025 N CA 0.524 53.586 53.050 0.021 0.000 0.852 1025 N CB -0.615 37.884 38.487 0.021 0.000 1.003 1025 N HN 0.240 nan 8.380 nan 0.000 0.424 1026 L N 0.469 121.720 121.223 0.047 0.000 1.990 1026 L HA -0.212 4.127 4.340 -0.003 0.000 0.213 1026 L C 1.797 178.701 176.870 0.057 0.000 1.072 1026 L CA 1.530 56.402 54.840 0.053 0.000 0.755 1026 L CB -0.348 41.766 42.059 0.092 0.000 0.889 1026 L HN 0.226 nan 8.230 nan 0.000 0.432 1027 L N -0.827 120.426 121.223 0.050 0.000 2.072 1027 L HA -0.237 4.102 4.340 -0.003 0.000 0.205 1027 L C 2.488 179.405 176.870 0.078 0.000 1.079 1027 L CA 1.050 55.917 54.840 0.046 0.000 0.752 1027 L CB -0.408 41.649 42.059 -0.004 0.000 0.906 1027 L HN 0.246 nan 8.230 nan 0.000 0.436 1028 I N -0.308 120.291 120.570 0.049 0.000 2.208 1028 I HA -0.322 3.846 4.170 -0.003 0.000 0.245 1028 I C 2.413 178.610 176.117 0.135 0.000 1.097 1028 I CA 1.245 62.591 61.300 0.076 0.000 1.363 1028 I CB -0.120 37.901 38.000 0.036 0.000 1.051 1028 I HN 0.250 nan 8.210 nan 0.000 0.413 1029 I N 0.325 120.952 120.570 0.095 0.000 2.716 1029 I HA -0.130 4.038 4.170 -0.003 0.000 0.259 1029 I C 2.181 178.353 176.117 0.091 0.000 1.172 1029 I CA 1.393 62.742 61.300 0.082 0.000 1.478 1029 I CB -0.308 37.724 38.000 0.054 0.000 1.104 1029 I HN 0.193 nan 8.210 nan 0.000 0.439 1030 L N -1.219 120.069 121.223 0.109 0.000 2.131 1030 L HA -0.172 4.166 4.340 -0.003 0.000 0.206 1030 L C 2.426 179.369 176.870 0.121 0.000 1.087 1030 L CA 0.871 55.773 54.840 0.103 0.000 0.767 1030 L CB -0.657 41.463 42.059 0.102 0.000 0.917 1030 L HN 0.086 nan 8.230 nan 0.000 0.441 1031 F N 0.814 120.770 119.950 0.011 0.000 2.171 1031 F HA -0.265 4.260 4.527 -0.003 0.000 0.300 1031 F C 2.854 178.665 175.800 0.019 0.000 1.090 1031 F CA 1.635 59.642 58.000 0.012 0.000 1.293 1031 F CB -0.133 38.881 39.000 0.023 0.000 1.013 1031 F HN 0.101 nan 8.300 nan 0.000 0.486 1032 S N 0.091 115.878 115.700 0.145 0.000 2.387 1032 S HA -0.211 4.257 4.470 -0.003 0.000 0.226 1032 S C 2.084 176.672 174.600 -0.019 0.000 1.026 1032 S CA 1.295 59.524 58.200 0.049 0.000 0.972 1032 S CB -0.543 62.707 63.200 0.083 0.000 0.814 1032 S HN 0.518 nan 8.310 nan 0.000 0.477 1033 M N 0.480 120.094 119.600 0.023 0.000 2.254 1033 M HA 0.062 4.540 4.480 -0.003 0.000 0.265 1033 M C 2.424 178.737 176.300 0.022 0.000 1.066 1033 M CA 1.520 56.872 55.300 0.086 0.000 1.123 1033 M CB -0.340 32.339 32.600 0.132 0.000 1.388 1033 M HN 0.533 nan 8.290 nan 0.000 0.425 1034 M N 0.645 120.201 119.600 -0.075 0.000 2.086 1034 M HA -0.221 4.257 4.480 -0.003 0.000 0.261 1034 M C 1.791 177.983 176.300 -0.179 0.000 1.067 1034 M CA 1.795 57.009 55.300 -0.143 0.000 1.116 1034 M CB -0.111 32.369 32.600 -0.200 0.000 1.348 1034 M HN 0.235 nan 8.290 nan 0.000 0.407 1035 L N -0.300 120.768 121.223 -0.259 0.000 2.141 1035 L HA -0.192 4.146 4.340 -0.003 0.000 0.209 1035 L C 2.546 179.357 176.870 -0.099 0.000 1.094 1035 L CA 1.114 55.822 54.840 -0.219 0.000 0.763 1035 L CB -0.579 41.308 42.059 -0.288 0.000 0.908 1035 L HN 0.466 nan 8.230 nan 0.000 0.437 1036 M N -0.784 118.796 119.600 -0.035 0.000 2.288 1036 M HA -0.091 4.388 4.480 -0.003 0.000 0.266 1036 M C 2.106 178.419 176.300 0.021 0.000 1.072 1036 M CA 1.925 57.252 55.300 0.044 0.000 1.132 1036 M CB -0.232 32.474 32.600 0.176 0.000 1.386 1036 M HN 0.376 nan 8.290 nan 0.000 0.432 1037 T N -4.353 110.188 114.554 -0.023 0.000 3.023 1037 T HA 0.242 4.590 4.350 -0.003 0.000 0.253 1037 T C 1.236 175.871 174.700 -0.108 0.000 1.038 1037 T CA 0.545 62.578 62.100 -0.112 0.000 0.962 1037 T CB 0.280 69.034 68.868 -0.190 0.000 1.018 1037 T HN 0.377 nan 8.240 nan 0.000 0.521 1038 G N 0.968 109.710 108.800 -0.098 0.000 3.829 1038 G HA2 0.473 4.431 3.960 -0.003 0.000 0.279 1038 G HA3 0.473 4.431 3.960 -0.003 0.000 0.279 1038 G C 0.041 174.874 174.900 -0.111 0.000 1.008 1038 G CA -0.429 44.606 45.100 -0.109 0.000 0.840 1038 G HN 0.279 nan 8.290 nan 0.000 0.474 1039 M N 0.429 119.979 119.600 -0.084 0.000 2.719 1039 M HA 0.476 4.954 4.480 -0.003 0.000 0.291 1039 M C -2.264 174.033 176.300 -0.004 0.000 1.264 1039 M CA -2.257 53.011 55.300 -0.053 0.000 0.811 1039 M CB 0.640 33.245 32.600 0.008 0.000 1.756 1039 M HN -0.221 nan 8.290 nan 0.000 0.464 1040 P HA -0.044 nan 4.420 nan 0.000 0.295 1040 P C -0.551 176.778 177.300 0.048 0.000 1.300 1040 P CA -0.112 63.033 63.100 0.074 0.000 0.801 1040 P CB 0.087 31.873 31.700 0.142 0.000 1.420 1041 Q N -0.266 119.570 119.800 0.060 0.000 2.332 1041 Q HA 0.335 4.673 4.340 -0.003 0.000 0.263 1041 Q C -0.517 175.494 176.000 0.017 0.000 0.979 1041 Q CA -0.337 55.510 55.803 0.074 0.000 0.885 1041 Q CB 0.071 28.889 28.738 0.134 0.000 1.218 1041 Q HN 0.276 nan 8.270 nan 0.000 0.405 1042 L N 0.938 122.121 121.223 -0.067 0.000 2.409 1042 L HA 0.608 4.947 4.340 -0.003 0.000 0.255 1042 L C -0.910 175.645 176.870 -0.525 0.000 1.027 1042 L CA -0.802 53.920 54.840 -0.195 0.000 0.834 1042 L CB 0.995 42.975 42.059 -0.132 0.000 1.426 1042 L HN 0.551 nan 8.230 nan 0.000 0.411 1043 T N 0.067 114.363 114.554 -0.430 0.000 2.776 1043 T HA 0.156 4.504 4.350 -0.003 0.000 0.292 1043 T C 1.215 175.691 174.700 -0.373 0.000 0.921 1043 T CA -0.060 61.724 62.100 -0.527 0.000 1.038 1043 T CB 0.277 68.995 68.868 -0.249 0.000 0.910 1043 T HN 0.646 nan 8.240 nan 0.000 0.536 1044 S N 2.333 117.759 115.700 -0.457 0.000 2.584 1044 S HA -0.060 4.408 4.470 -0.003 0.000 0.240 1044 S C 1.615 176.161 174.600 -0.089 0.000 0.975 1044 S CA 0.936 59.020 58.200 -0.192 0.000 0.949 1044 S CB -0.070 63.075 63.200 -0.092 0.000 0.761 1044 S HN 0.615 nan 8.310 nan 0.000 0.536 1045 K N -0.160 120.188 120.400 -0.087 0.000 2.325 1045 K HA 0.245 4.564 4.320 -0.003 0.000 0.203 1045 K C 2.012 178.607 176.600 -0.010 0.000 1.128 1045 K CA 0.025 56.295 56.287 -0.028 0.000 0.931 1045 K CB -0.083 32.410 32.500 -0.012 0.000 1.125 1045 K HN 0.015 nan 8.250 nan 0.000 0.487 1046 E N 1.317 121.498 120.200 -0.032 0.000 2.112 1046 E HA -0.126 4.222 4.350 -0.003 0.000 0.190 1046 E C 0.965 177.592 176.600 0.044 0.000 0.979 1046 E CA 1.018 57.420 56.400 0.004 0.000 0.814 1046 E CB 0.225 29.916 29.700 -0.014 0.000 0.762 1046 E HN 0.251 nan 8.360 nan 0.000 0.460 1047 D N 0.632 121.050 120.400 0.029 0.000 2.162 1047 D HA -0.108 4.530 4.640 -0.003 0.000 0.203 1047 D C 1.993 178.436 176.300 0.238 0.000 0.967 1047 D CA 0.537 54.594 54.000 0.095 0.000 0.840 1047 D CB 0.160 40.974 40.800 0.024 0.000 0.972 1047 D HN 0.224 nan 8.370 nan 0.000 0.482 1048 I N 1.030 121.722 120.570 0.203 0.000 2.394 1048 I HA -0.155 4.013 4.170 -0.003 0.000 0.251 1048 I C 2.063 178.319 176.117 0.231 0.000 1.136 1048 I CA 0.877 62.374 61.300 0.327 0.000 1.425 1048 I CB -1.252 36.864 38.000 0.193 0.000 1.079 1048 I HN -0.113 nan 8.210 nan 0.000 0.425 1049 E N 0.488 120.772 120.200 0.140 0.000 2.455 1049 E HA -0.238 4.111 4.350 -0.003 0.000 0.202 1049 E C 1.953 178.592 176.600 0.064 0.000 1.045 1049 E CA 0.563 57.008 56.400 0.076 0.000 0.872 1049 E CB -0.471 29.262 29.700 0.056 0.000 0.792 1049 E HN 0.586 nan 8.360 nan 0.000 0.542 1050 Y N -0.010 120.294 120.300 0.006 0.000 2.133 1050 Y HA -0.148 4.401 4.550 -0.003 0.000 0.287 1050 Y C 1.959 177.754 175.900 -0.174 0.000 1.134 1050 Y CA 1.710 59.781 58.100 -0.049 0.000 1.133 1050 Y CB -0.185 38.269 38.460 -0.009 0.000 0.987 1050 Y HN 0.108 nan 8.280 nan 0.000 0.502 1051 I N 0.036 120.456 120.570 -0.251 0.000 2.756 1051 I HA -0.240 3.928 4.170 -0.003 0.000 0.262 1051 I C 2.393 178.326 176.117 -0.308 0.000 1.225 1051 I CA 0.934 61.961 61.300 -0.454 0.000 1.472 1051 I CB -0.214 37.337 38.000 -0.748 0.000 1.094 1051 I HN 0.226 nan 8.210 nan 0.000 0.454 1052 R N 0.989 121.368 120.500 -0.202 0.000 2.075 1052 R HA -0.205 4.133 4.340 -0.003 0.000 0.230 1052 R C 1.633 177.823 176.300 -0.184 0.000 1.140 1052 R CA 2.500 58.513 56.100 -0.145 0.000 0.928 1052 R CB -0.293 29.957 30.300 -0.083 0.000 0.834 1052 R HN 0.325 nan 8.270 nan 0.000 0.429 1053 D N -0.565 119.703 120.400 -0.221 0.000 2.264 1053 D HA -0.080 4.558 4.640 -0.003 0.000 0.208 1053 D C 1.379 177.540 176.300 -0.232 0.000 0.966 1053 D CA 1.245 55.117 54.000 -0.214 0.000 0.864 1053 D CB 0.061 40.763 40.800 -0.164 0.000 0.933 1053 D HN 0.395 nan 8.370 nan 0.000 0.499 1054 A N -0.128 122.449 122.820 -0.404 0.000 1.984 1054 A HA 0.111 4.429 4.320 -0.003 0.000 0.214 1054 A C 1.760 179.349 177.584 0.007 0.000 1.173 1054 A CA 0.341 52.124 52.037 -0.423 0.000 0.673 1054 A CB -0.195 18.155 19.000 -1.082 0.000 0.830 1054 A HN 0.195 nan 8.150 nan 0.000 0.453 1055 L N 0.243 121.421 121.223 -0.076 0.000 2.653 1055 L HA 0.073 4.411 4.340 -0.003 0.000 0.232 1055 L C 1.036 177.880 176.870 -0.044 0.000 1.169 1055 L CA 0.391 55.221 54.840 -0.015 0.000 0.951 1055 L CB -0.277 41.716 42.059 -0.111 0.000 1.181 1055 L HN 0.423 nan 8.230 nan 0.000 0.460 1056 T N 0.092 114.619 114.554 -0.045 0.000 3.361 1056 T HA -0.179 4.169 4.350 -0.003 0.000 0.417 1056 T C 0.294 174.928 174.700 -0.110 0.000 0.769 1056 T CA -0.156 61.866 62.100 -0.131 0.000 2.085 1056 T CB -1.088 67.711 68.868 -0.116 0.000 1.689 1056 T HN 0.047 nan 8.240 nan 0.000 0.639 1057 V N 2.332 122.182 119.914 -0.106 0.000 2.999 1057 V HA 0.433 4.551 4.120 -0.003 0.000 0.307 1057 V C 2.122 178.174 176.094 -0.069 0.000 1.084 1057 V CA 1.172 63.422 62.300 -0.082 0.000 1.155 1057 V CB 0.750 32.531 31.823 -0.071 0.000 0.975 1057 V HN 1.475 nan 8.190 nan 0.000 0.490 1058 G N 2.724 111.492 108.800 -0.053 0.000 2.189 1058 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.267 1058 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.267 1058 G C 0.149 175.027 174.900 -0.037 0.000 0.975 1058 G CA 0.295 45.371 45.100 -0.040 0.000 0.644 1058 G HN 0.545 nan 8.290 nan 0.000 0.537 1059 K N 0.981 121.354 120.400 -0.045 0.000 2.118 1059 K HA 0.427 4.745 4.320 -0.003 0.000 0.254 1059 K C 0.604 177.190 176.600 -0.023 0.000 0.961 1059 K CA -0.918 55.349 56.287 -0.033 0.000 0.876 1059 K CB 0.989 33.465 32.500 -0.040 0.000 1.077 1059 K HN 0.460 nan 8.250 nan 0.000 0.440 1060 N N 0.479 119.174 118.700 -0.008 0.000 2.424 1060 N HA 0.014 4.752 4.740 -0.003 0.000 0.257 1060 N C 0.418 175.932 175.510 0.008 0.000 1.250 1060 N CA -0.004 53.046 53.050 0.000 0.000 0.946 1060 N CB 0.896 39.388 38.487 0.008 0.000 1.175 1060 N HN 0.450 nan 8.380 nan 0.000 0.477 1061 E N -0.186 120.021 120.200 0.011 0.000 2.110 1061 E HA -0.182 4.166 4.350 -0.003 0.000 0.193 1061 E C 1.068 177.694 176.600 0.042 0.000 0.988 1061 E CA 1.219 57.628 56.400 0.014 0.000 0.804 1061 E CB 0.155 29.867 29.700 0.020 0.000 0.745 1061 E HN 0.578 nan 8.360 nan 0.000 0.458 1062 E N 1.054 121.280 120.200 0.043 0.000 2.031 1062 E HA -0.185 4.163 4.350 -0.003 0.000 0.193 1062 E C 1.786 178.433 176.600 0.078 0.000 0.994 1062 E CA 1.032 57.465 56.400 0.055 0.000 0.800 1062 E CB -0.558 29.167 29.700 0.043 0.000 0.752 1062 E HN 0.206 nan 8.360 nan 0.000 0.447 1063 D N 0.597 121.039 120.400 0.069 0.000 2.172 1063 D HA -0.154 4.484 4.640 -0.003 0.000 0.196 1063 D C 1.756 178.146 176.300 0.151 0.000 0.999 1063 D CA 1.788 55.841 54.000 0.088 0.000 0.856 1063 D CB -0.228 40.602 40.800 0.051 0.000 0.934 1063 D HN 0.225 nan 8.370 nan 0.000 0.453 1064 A N 0.586 123.499 122.820 0.155 0.000 1.873 1064 A HA -0.195 4.123 4.320 -0.003 0.000 0.215 1064 A C 2.033 179.855 177.584 0.398 0.000 1.186 1064 A CA 1.877 54.085 52.037 0.285 0.000 0.616 1064 A CB -0.576 18.517 19.000 0.155 0.000 0.823 1064 A HN 0.222 nan 8.150 nan 0.000 0.442 1065 K N 0.375 120.931 120.400 0.259 0.000 2.074 1065 K HA -0.276 4.042 4.320 -0.003 0.000 0.209 1065 K C 2.078 178.807 176.600 0.214 0.000 1.048 1065 K CA 2.149 58.572 56.287 0.226 0.000 0.926 1065 K CB -0.228 32.349 32.500 0.128 0.000 0.713 1065 K HN 0.476 nan 8.250 nan 0.000 0.444 1066 K N -0.319 120.196 120.400 0.190 0.000 2.057 1066 K HA -0.214 4.105 4.320 -0.003 0.000 0.206 1066 K C 2.101 178.815 176.600 0.190 0.000 1.050 1066 K CA 1.343 57.724 56.287 0.157 0.000 0.935 1066 K CB -0.454 32.125 32.500 0.132 0.000 0.715 1066 K HN 0.311 nan 8.250 nan 0.000 0.439 1067 Y N -0.082 120.292 120.300 0.123 0.000 2.081 1067 Y HA -0.307 4.241 4.550 -0.003 0.000 0.280 1067 Y C 1.946 177.867 175.900 0.036 0.000 1.163 1067 Y CA 2.013 60.177 58.100 0.108 0.000 1.135 1067 Y CB -0.241 38.341 38.460 0.202 0.000 0.970 1067 Y HN 0.159 nan 8.280 nan 0.000 0.498 1068 F N -0.062 119.815 119.950 -0.122 0.000 2.325 1068 F HA -0.143 4.382 4.527 -0.003 0.000 0.299 1068 F C 1.785 177.454 175.800 -0.218 0.000 1.090 1068 F CA 1.155 58.933 58.000 -0.370 0.000 1.392 1068 F CB -0.206 38.507 39.000 -0.478 0.000 1.053 1068 F HN 0.025 nan 8.300 nan 0.000 0.521 1069 L N -0.618 120.601 121.223 -0.005 0.000 2.240 1069 L HA -0.141 4.198 4.340 -0.003 0.000 0.211 1069 L C 1.918 178.734 176.870 -0.091 0.000 1.106 1069 L CA 0.695 55.527 54.840 -0.014 0.000 0.793 1069 L CB -0.540 41.552 42.059 0.055 0.000 0.927 1069 L HN -0.028 nan 8.230 nan 0.000 0.446 1070 D N -0.347 119.972 120.400 -0.136 0.000 2.117 1070 D HA -0.176 4.462 4.640 -0.003 0.000 0.197 1070 D C 2.264 178.387 176.300 -0.295 0.000 0.987 1070 D CA 0.962 54.861 54.000 -0.169 0.000 0.829 1070 D CB -0.054 40.658 40.800 -0.147 0.000 0.961 1070 D HN 0.274 nan 8.370 nan 0.000 0.460 1071 Q N 0.247 119.752 119.800 -0.491 0.000 2.124 1071 Q HA -0.083 4.255 4.340 -0.003 0.000 0.202 1071 Q C 2.595 178.231 176.000 -0.607 0.000 0.977 1071 Q CA 0.571 55.973 55.803 -0.669 0.000 0.850 1071 Q CB -0.248 27.872 28.738 -1.031 0.000 0.901 1071 Q HN 0.433 nan 8.270 nan 0.000 0.429 1072 I N 1.027 121.374 120.570 -0.371 0.000 2.226 1072 I HA -0.213 3.955 4.170 -0.003 0.000 0.245 1072 I C 2.102 178.137 176.117 -0.137 0.000 1.100 1072 I CA 1.028 62.254 61.300 -0.122 0.000 1.374 1072 I CB -0.181 37.908 38.000 0.147 0.000 1.057 1072 I HN 0.103 nan 8.210 nan 0.000 0.413 1073 E N 0.330 120.459 120.200 -0.119 0.000 2.418 1073 E HA -0.091 4.258 4.350 -0.003 0.000 0.197 1073 E C 2.223 178.728 176.600 -0.158 0.000 1.026 1073 E CA 0.698 57.038 56.400 -0.100 0.000 0.862 1073 E CB 0.169 29.834 29.700 -0.059 0.000 0.799 1073 E HN 0.361 nan 8.360 nan 0.000 0.518 1074 V N 0.073 119.846 119.914 -0.236 0.000 2.535 1074 V HA -0.191 3.927 4.120 -0.003 0.000 0.246 1074 V C 2.257 178.190 176.094 -0.268 0.000 1.045 1074 V CA 1.144 63.300 62.300 -0.241 0.000 1.058 1074 V CB -0.284 31.374 31.823 -0.274 0.000 0.689 1074 V HN 0.347 nan 8.190 nan 0.000 0.461 1075 C N -0.045 119.044 119.300 -0.353 0.000 2.456 1075 C HA 0.016 4.474 4.460 -0.003 0.000 0.279 1075 C C 2.529 177.357 174.990 -0.270 0.000 1.427 1075 C CA 0.216 59.028 59.018 -0.343 0.000 1.778 1075 C CB -1.260 26.225 27.740 -0.425 0.000 1.842 1075 C HN 0.469 nan 8.230 nan 0.000 0.531 1076 R N 0.534 120.905 120.500 -0.215 0.000 2.290 1076 R HA 0.037 4.375 4.340 -0.003 0.000 0.197 1076 R C 1.119 177.318 176.300 -0.169 0.000 0.913 1076 R CA 0.414 56.397 56.100 -0.194 0.000 1.040 1076 R CB -0.184 30.027 30.300 -0.149 0.000 0.992 1076 R HN 0.588 nan 8.270 nan 0.000 0.500 1077 D N 0.807 121.116 120.400 -0.152 0.000 2.216 1077 D HA -0.029 4.610 4.640 -0.003 0.000 0.208 1077 D C 1.318 177.550 176.300 -0.113 0.000 0.960 1077 D CA 1.086 55.016 54.000 -0.116 0.000 0.861 1077 D CB 0.500 41.242 40.800 -0.097 0.000 0.985 1077 D HN 0.051 nan 8.370 nan 0.000 0.493 1078 K N -0.163 120.154 120.400 -0.138 0.000 2.242 1078 K HA 0.137 4.455 4.320 -0.003 0.000 0.200 1078 K C 1.406 177.919 176.600 -0.145 0.000 1.050 1078 K CA 0.609 56.830 56.287 -0.111 0.000 0.981 1078 K CB 0.496 32.935 32.500 -0.102 0.000 0.795 1078 K HN 0.104 nan 8.250 nan 0.000 0.477 1079 G N 1.014 109.658 108.800 -0.261 0.000 2.793 1079 G HA2 -0.360 3.599 3.960 -0.003 0.000 0.334 1079 G HA3 -0.360 3.599 3.960 -0.003 0.000 0.334 1079 G C 0.723 175.351 174.900 -0.455 0.000 1.186 1079 G CA 0.764 45.586 45.100 -0.462 0.000 0.960 1079 G HN 0.495 nan 8.290 nan 0.000 0.562 1080 W N 0.940 122.171 121.300 -0.115 0.000 3.197 1080 W HA 0.365 5.024 4.660 -0.003 0.000 0.274 1080 W C 2.770 179.286 176.519 -0.005 0.000 1.297 1080 W CA 0.426 57.688 57.345 -0.139 0.000 1.662 1080 W CB 0.135 29.527 29.460 -0.113 0.000 1.106 1080 W HN 0.435 nan 8.180 nan 0.000 0.663 1081 T N 0.836 115.522 114.554 0.220 0.000 2.665 1081 T HA -0.224 4.125 4.350 -0.003 0.000 0.268 1081 T C 1.756 176.581 174.700 0.210 0.000 1.035 1081 T CA 1.816 64.072 62.100 0.261 0.000 1.151 1081 T CB -0.411 68.540 68.868 0.138 0.000 0.862 1081 T HN -0.091 nan 8.240 nan 0.000 0.438 1082 V N 1.046 121.014 119.914 0.091 0.000 2.535 1082 V HA -0.062 4.057 4.120 -0.003 0.000 0.246 1082 V C 2.680 178.788 176.094 0.023 0.000 1.045 1082 V CA 1.048 63.369 62.300 0.036 0.000 1.058 1082 V CB -0.488 31.339 31.823 0.007 0.000 0.689 1082 V HN 0.336 nan 8.190 nan 0.000 0.461 1083 Q N -0.193 119.633 119.800 0.044 0.000 2.030 1083 Q HA -0.218 4.120 4.340 -0.003 0.000 0.204 1083 Q C 2.207 178.281 176.000 0.124 0.000 0.986 1083 Q CA 2.108 57.918 55.803 0.012 0.000 0.843 1083 Q CB -0.718 27.957 28.738 -0.105 0.000 0.904 1083 Q HN 0.682 nan 8.270 nan 0.000 0.420 1084 F N 2.085 122.117 119.950 0.137 0.000 2.154 1084 F HA -0.218 4.307 4.527 -0.003 0.000 0.301 1084 F C 1.619 177.533 175.800 0.191 0.000 1.087 1084 F CA 1.599 59.783 58.000 0.306 0.000 1.274 1084 F CB -0.547 38.604 39.000 0.251 0.000 1.009 1084 F HN 0.073 nan 8.300 nan 0.000 0.485 1085 N N -0.542 117.903 118.700 -0.425 0.000 2.223 1085 N HA -0.190 4.549 4.740 -0.003 0.000 0.185 1085 N C -0.270 174.832 175.510 -0.681 0.000 1.016 1085 N CA 0.985 53.662 53.050 -0.622 0.000 0.863 1085 N CB -0.503 37.830 38.487 -0.257 0.000 0.983 1085 N HN 0.520 nan 8.380 nan 0.000 0.429 1086 W N 0.131 121.049 121.300 -0.637 0.000 2.381 1086 W HA 0.230 4.889 4.660 -0.003 0.000 0.321 1086 W C 0.051 176.193 176.519 -0.628 0.000 1.407 1086 W CA 0.320 57.214 57.345 -0.751 0.000 1.274 1086 W CB -0.093 28.807 29.460 -0.932 0.000 1.310 1086 W HN 0.162 nan 8.180 nan 0.000 0.551 1087 F N 1.770 121.587 119.950 -0.221 0.000 1.945 1087 F HA -0.349 4.176 4.527 -0.003 0.000 0.600 1087 F C 1.505 177.151 175.800 -0.256 0.000 0.492 1087 F CA 0.268 58.256 58.000 -0.020 0.000 1.963 1087 F CB -1.233 37.851 39.000 0.140 0.000 2.782 1087 F HN 0.278 nan 8.300 nan 0.000 0.247 1088 L N 1.202 122.306 121.223 -0.198 0.000 2.027 1088 L HA -0.200 4.139 4.340 -0.003 0.000 0.206 1088 L C 2.418 179.222 176.870 -0.110 0.000 1.074 1088 L CA 1.913 56.649 54.840 -0.175 0.000 0.745 1088 L CB -0.445 41.427 42.059 -0.312 0.000 0.898 1088 L HN 0.271 nan 8.230 nan 0.000 0.433 1089 H N -0.176 118.751 119.070 -0.239 0.000 2.267 1089 H HA -0.219 4.335 4.556 -0.003 0.000 0.297 1089 H C 2.378 177.575 175.328 -0.218 0.000 1.080 1089 H CA 1.534 57.436 56.048 -0.243 0.000 1.278 1089 H CB -0.914 28.647 29.762 -0.335 0.000 1.365 1089 H HN 0.250 nan 8.280 nan 0.000 0.489 1090 L N 0.360 121.459 121.223 -0.206 0.000 1.965 1090 L HA -0.174 4.164 4.340 -0.003 0.000 0.226 1090 L C 1.098 177.933 176.870 -0.060 0.000 1.083 1090 L CA 1.655 56.390 54.840 -0.175 0.000 0.790 1090 L CB -0.763 41.174 42.059 -0.204 0.000 0.898 1090 L HN 0.067 nan 8.230 nan 0.000 0.439 1091 V N 0.000 119.898 119.914 -0.026 0.000 2.409 1091 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 1091 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 1091 V CB 0.000 31.830 31.823 0.012 0.000 1.184 1091 V HN 0.000 nan 8.190 nan 0.000 0.556