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 3oaw_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMX XXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXS LWDCDRKFRV KIRGIDIPVL XXXXXLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXVQLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNY CHPIALPXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS XXXXXXSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHILGNYX XXXXXXXXRV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVLG 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.611 174.600 0.018 0.000 1.055 144 S CA 0.000 58.206 58.200 0.009 0.000 1.107 144 S CB 0.000 63.203 63.200 0.005 0.000 0.593 145 E N 2.432 122.641 120.200 0.015 0.000 2.072 145 E HA -0.074 4.287 4.350 0.019 0.000 0.191 145 E C 1.410 178.029 176.600 0.032 0.000 0.985 145 E CA 0.850 57.263 56.400 0.021 0.000 0.801 145 E CB 0.087 29.796 29.700 0.015 0.000 0.750 145 E HN 0.777 nan 8.360 nan 0.000 0.452 146 E N 0.177 120.389 120.200 0.021 0.000 2.333 146 E HA -0.090 4.272 4.350 0.019 0.000 0.198 146 E C 1.798 178.426 176.600 0.046 0.000 1.007 146 E CA 0.323 56.736 56.400 0.022 0.000 0.845 146 E CB 0.057 29.751 29.700 -0.010 0.000 0.766 146 E HN 0.032 nan 8.360 nan 0.000 0.507 147 S N -0.324 115.408 115.700 0.053 0.000 2.439 147 S HA -0.029 4.453 4.470 0.019 0.000 0.224 147 S C 1.737 176.440 174.600 0.171 0.000 1.029 147 S CA 0.403 58.667 58.200 0.107 0.000 0.946 147 S CB 0.221 63.458 63.200 0.061 0.000 0.797 147 S HN 0.220 nan 8.310 nan 0.000 0.504 148 Q N 0.615 120.475 119.800 0.100 0.000 2.123 148 Q HA 0.148 4.500 4.340 0.019 0.000 0.199 148 Q C 2.350 178.395 176.000 0.075 0.000 0.966 148 Q CA 1.362 57.209 55.803 0.073 0.000 0.845 148 Q CB -0.286 28.476 28.738 0.041 0.000 0.907 148 Q HN 0.589 nan 8.270 nan 0.000 0.439 149 A N 0.261 123.134 122.820 0.089 0.000 1.969 149 A HA -0.169 4.163 4.320 0.019 0.000 0.218 149 A C 1.831 179.487 177.584 0.120 0.000 1.169 149 A CA 0.936 53.022 52.037 0.083 0.000 0.635 149 A CB -0.687 18.358 19.000 0.075 0.000 0.810 149 A HN 0.491 nan 8.150 nan 0.000 0.445 150 F N 0.775 120.727 119.950 0.003 0.000 2.216 150 F HA -0.159 4.380 4.527 0.019 0.000 0.300 150 F C 2.199 178.003 175.800 0.007 0.000 1.085 150 F CA 2.053 60.057 58.000 0.006 0.000 1.326 150 F CB -0.305 38.697 39.000 0.002 0.000 1.027 150 F HN 0.329 nan 8.300 nan 0.000 0.497 151 Q N 0.772 120.516 119.800 -0.094 0.000 2.167 151 Q HA -0.128 4.223 4.340 0.019 0.000 0.202 151 Q C 2.152 178.061 176.000 -0.152 0.000 0.970 151 Q CA 1.677 57.369 55.803 -0.185 0.000 0.855 151 Q CB -0.223 28.480 28.738 -0.059 0.000 0.911 151 Q HN 0.425 nan 8.270 nan 0.000 0.438 152 R N -0.535 119.917 120.500 -0.079 0.000 2.148 152 R HA -0.062 4.290 4.340 0.019 0.000 0.223 152 R C 2.251 178.514 176.300 -0.063 0.000 1.088 152 R CA 1.291 57.356 56.100 -0.057 0.000 0.985 152 R CB -0.122 30.166 30.300 -0.021 0.000 0.880 152 R HN 0.410 nan 8.270 nan 0.000 0.451 153 Q N 0.767 120.518 119.800 -0.081 0.000 2.062 153 Q HA -0.060 4.292 4.340 0.019 0.000 0.196 153 Q C 2.035 177.962 176.000 -0.122 0.000 0.967 153 Q CA 0.971 56.735 55.803 -0.065 0.000 0.832 153 Q CB 0.138 28.869 28.738 -0.012 0.000 0.899 153 Q HN 0.325 nan 8.270 nan 0.000 0.442 154 L N 0.190 121.253 121.223 -0.267 0.000 2.012 154 L HA -0.210 4.142 4.340 0.019 0.000 0.210 154 L C 2.474 179.266 176.870 -0.130 0.000 1.073 154 L CA 1.733 56.422 54.840 -0.252 0.000 0.748 154 L CB -0.837 40.984 42.059 -0.398 0.000 0.891 154 L HN 0.283 nan 8.230 nan 0.000 0.431 155 T N -0.102 114.379 114.554 -0.120 0.000 2.803 155 T HA -0.193 4.168 4.350 0.019 0.000 0.269 155 T C 1.906 176.578 174.700 -0.047 0.000 1.052 155 T CA 1.341 63.394 62.100 -0.078 0.000 1.136 155 T CB -0.205 68.609 68.868 -0.089 0.000 0.864 155 T HN 0.481 nan 8.240 nan 0.000 0.467 156 A N 0.764 123.560 122.820 -0.040 0.000 1.930 156 A HA 0.192 4.524 4.320 0.019 0.000 0.215 156 A C 2.239 179.825 177.584 0.004 0.000 1.176 156 A CA 0.769 52.799 52.037 -0.011 0.000 0.632 156 A CB -0.554 18.445 19.000 -0.002 0.000 0.819 156 A HN 0.458 nan 8.150 nan 0.000 0.445 157 L N -0.751 120.476 121.223 0.006 0.000 2.156 157 L HA -0.060 4.291 4.340 0.019 0.000 0.208 157 L C 2.307 179.158 176.870 -0.033 0.000 1.095 157 L CA 0.845 55.718 54.840 0.056 0.000 0.770 157 L CB -0.320 41.801 42.059 0.103 0.000 0.914 157 L HN 0.349 nan 8.230 nan 0.000 0.439 158 I N -0.719 119.813 120.570 -0.063 0.000 2.333 158 I HA -0.062 4.120 4.170 0.019 0.000 0.246 158 I C 1.661 177.737 176.117 -0.069 0.000 1.106 158 I CA 1.104 62.343 61.300 -0.102 0.000 1.411 158 I CB -0.313 37.667 38.000 -0.032 0.000 1.082 158 I HN 0.405 nan 8.210 nan 0.000 0.420 159 G N 0.015 108.811 108.800 -0.008 0.000 2.141 159 G HA2 -0.314 3.658 3.960 0.019 0.000 0.231 159 G HA3 -0.314 3.658 3.960 0.019 0.000 0.231 159 G C -0.061 174.912 174.900 0.122 0.000 0.984 159 G CA 0.088 45.207 45.100 0.033 0.000 0.660 159 G HN 0.390 nan 8.290 nan 0.000 0.525 160 Y N -0.093 120.183 120.300 -0.041 0.000 2.474 160 Y HA 0.494 5.056 4.550 0.020 0.000 0.326 160 Y C -1.421 174.456 175.900 -0.038 0.000 1.160 160 Y CA -0.937 57.146 58.100 -0.029 0.000 1.056 160 Y CB 1.737 40.186 38.460 -0.017 0.000 1.330 160 Y HN 0.084 nan 8.280 nan 0.000 0.447 161 D N 4.324 124.372 120.400 -0.587 0.000 2.374 161 D HA 0.178 4.829 4.640 0.019 0.000 0.240 161 D C 1.019 177.053 176.300 -0.445 0.000 1.229 161 D CA 0.046 53.790 54.000 -0.427 0.000 0.895 161 D CB 1.182 41.782 40.800 -0.333 0.000 1.046 161 D HN 0.494 nan 8.370 nan 0.000 0.498 162 V N 1.823 121.677 119.914 -0.101 0.000 3.383 162 V HA -0.101 4.031 4.120 0.019 0.000 0.272 162 V C 1.656 177.746 176.094 -0.007 0.000 1.181 162 V CA 1.794 64.121 62.300 0.044 0.000 1.171 162 V CB -1.388 30.470 31.823 0.058 0.000 0.800 162 V HN 0.666 nan 8.190 nan 0.000 0.515 163 T N -3.623 110.891 114.554 -0.067 0.000 3.039 163 T HA 0.023 4.385 4.350 0.019 0.000 0.250 163 T C 0.980 175.646 174.700 -0.057 0.000 1.052 163 T CA 0.425 62.497 62.100 -0.047 0.000 1.125 163 T CB -0.439 68.401 68.868 -0.047 0.000 0.908 163 T HN 0.466 nan 8.240 nan 0.000 0.473 164 D N 2.096 122.426 120.400 -0.117 0.000 2.659 164 D HA -0.053 4.599 4.640 0.019 0.000 0.275 164 D C 0.691 176.962 176.300 -0.048 0.000 1.407 164 D CA 0.133 54.060 54.000 -0.121 0.000 1.033 164 D CB 0.405 41.054 40.800 -0.252 0.000 1.139 164 D HN 0.158 nan 8.370 nan 0.000 0.565 165 V N 3.360 123.257 119.914 -0.027 0.000 3.623 165 V HA -0.131 4.001 4.120 0.019 0.000 0.271 165 V C 2.343 178.436 176.094 -0.001 0.000 1.248 165 V CA 0.981 63.279 62.300 -0.002 0.000 1.156 165 V CB -0.142 31.685 31.823 0.005 0.000 0.870 165 V HN 0.598 nan 8.190 nan 0.000 0.453 166 S N 0.750 116.441 115.700 -0.016 0.000 2.419 166 S HA -0.178 4.304 4.470 0.019 0.000 0.233 166 S C 1.514 176.106 174.600 -0.012 0.000 1.016 166 S CA 1.823 60.011 58.200 -0.020 0.000 0.974 166 S CB -0.393 62.783 63.200 -0.039 0.000 0.786 166 S HN 0.554 nan 8.310 nan 0.000 0.492 167 N N 0.405 119.108 118.700 0.005 0.000 2.273 167 N HA 0.339 5.091 4.740 0.019 0.000 0.231 167 N C -1.075 174.441 175.510 0.010 0.000 1.134 167 N CA -0.167 52.887 53.050 0.006 0.000 0.856 167 N CB 0.911 39.407 38.487 0.015 0.000 1.068 167 N HN 0.272 nan 8.380 nan 0.000 0.510 168 V N 1.337 121.258 119.914 0.012 0.000 2.628 168 V HA 0.292 4.423 4.120 0.019 0.000 0.306 168 V C 0.336 176.449 176.094 0.031 0.000 1.045 168 V CA -0.670 61.613 62.300 -0.028 0.000 0.905 168 V CB 1.585 33.395 31.823 -0.021 0.000 0.997 168 V HN 0.492 nan 8.190 nan 0.000 0.436 169 H N 2.124 121.270 119.070 0.127 0.000 2.581 169 H HA 0.452 5.019 4.556 0.019 0.000 0.275 169 H C -0.817 174.641 175.328 0.217 0.000 1.126 169 H CA -0.049 56.106 56.048 0.179 0.000 1.097 169 H CB 0.654 30.572 29.762 0.260 0.000 1.626 169 H HN 0.779 nan 8.280 nan 0.000 0.565 170 D N -0.417 120.065 120.400 0.137 0.000 2.808 170 D HA -0.038 4.614 4.640 0.019 0.000 0.294 170 D C -0.820 175.556 176.300 0.125 0.000 1.278 170 D CA -0.621 53.494 54.000 0.192 0.000 0.756 170 D CB 0.021 41.001 40.800 0.301 0.000 1.271 170 D HN 0.010 nan 8.370 nan 0.000 0.425 171 D N -1.005 119.500 120.400 0.175 0.000 2.706 171 D HA 0.081 4.733 4.640 0.019 0.000 0.236 171 D C 0.640 176.927 176.300 -0.022 0.000 1.231 171 D CA -0.267 53.806 54.000 0.122 0.000 0.828 171 D CB 0.383 41.290 40.800 0.179 0.000 1.015 171 D HN 0.546 nan 8.370 nan 0.000 0.484 172 E N 0.296 120.396 120.200 -0.167 0.000 2.047 172 E HA -0.109 4.253 4.350 0.019 0.000 0.191 172 E C 1.769 178.377 176.600 0.013 0.000 0.987 172 E CA 0.591 56.743 56.400 -0.413 0.000 0.799 172 E CB 0.114 29.724 29.700 -0.150 0.000 0.752 172 E HN 0.338 nan 8.360 nan 0.000 0.449 173 L N 0.937 122.191 121.223 0.052 0.000 2.046 173 L HA -0.180 4.172 4.340 0.019 0.000 0.208 173 L C 2.614 179.499 176.870 0.025 0.000 1.077 173 L CA 0.936 55.771 54.840 -0.009 0.000 0.747 173 L CB -0.344 41.667 42.059 -0.080 0.000 0.896 173 L HN 0.077 nan 8.230 nan 0.000 0.432 174 E N -0.136 120.094 120.200 0.049 0.000 2.047 174 E HA -0.226 4.136 4.350 0.019 0.000 0.191 174 E C 2.043 178.697 176.600 0.091 0.000 0.987 174 E CA 1.252 57.691 56.400 0.065 0.000 0.799 174 E CB -0.328 29.420 29.700 0.080 0.000 0.752 174 E HN 0.409 nan 8.360 nan 0.000 0.449 175 F N 1.726 121.653 119.950 -0.038 0.000 2.161 175 F HA -0.206 4.333 4.527 0.019 0.000 0.300 175 F C 2.182 177.981 175.800 -0.001 0.000 1.089 175 F CA 1.687 59.677 58.000 -0.016 0.000 1.282 175 F CB -0.107 38.855 39.000 -0.064 0.000 1.010 175 F HN -0.064 nan 8.300 nan 0.000 0.485 176 T N 0.332 114.917 114.554 0.052 0.000 2.851 176 T HA -0.065 4.297 4.350 0.019 0.000 0.262 176 T C 1.972 176.650 174.700 -0.038 0.000 1.043 176 T CA 1.106 63.210 62.100 0.007 0.000 1.140 176 T CB -0.200 68.744 68.868 0.127 0.000 0.872 176 T HN 0.213 nan 8.240 nan 0.000 0.446 177 R N 0.947 121.438 120.500 -0.015 0.000 2.096 177 R HA -0.040 4.312 4.340 0.019 0.000 0.240 177 R C 2.752 179.030 176.300 -0.036 0.000 1.139 177 R CA 1.449 57.541 56.100 -0.013 0.000 0.952 177 R CB -0.191 30.110 30.300 0.001 0.000 0.854 177 R HN 0.309 nan 8.270 nan 0.000 0.436 178 R N -0.576 119.885 120.500 -0.064 0.000 2.075 178 R HA -0.057 4.295 4.340 0.019 0.000 0.232 178 R C 2.427 178.638 176.300 -0.148 0.000 1.126 178 R CA 1.264 57.310 56.100 -0.090 0.000 0.963 178 R CB -0.455 29.795 30.300 -0.083 0.000 0.858 178 R HN 0.352 nan 8.270 nan 0.000 0.435 179 G N 0.939 109.586 108.800 -0.255 0.000 2.448 179 G HA2 -0.204 3.768 3.960 0.019 0.000 0.219 179 G HA3 -0.204 3.768 3.960 0.019 0.000 0.219 179 G C 1.337 176.163 174.900 -0.124 0.000 1.127 179 G CA 0.443 45.373 45.100 -0.284 0.000 0.766 179 G HN 0.166 nan 8.290 nan 0.000 0.552 180 L N 0.489 121.670 121.223 -0.070 0.000 2.509 180 L HA 0.079 4.431 4.340 0.019 0.000 0.222 180 L C 2.649 179.512 176.870 -0.012 0.000 1.123 180 L CA -0.284 54.545 54.840 -0.018 0.000 0.856 180 L CB 0.094 42.160 42.059 0.010 0.000 0.985 180 L HN 0.028 nan 8.230 nan 0.000 0.456 181 V N -0.092 119.807 119.914 -0.025 0.000 2.380 181 V HA -0.319 3.812 4.120 0.019 0.000 0.251 181 V C 2.493 178.579 176.094 -0.014 0.000 1.063 181 V CA 2.484 64.774 62.300 -0.016 0.000 1.055 181 V CB -0.966 30.846 31.823 -0.019 0.000 0.657 181 V HN 0.510 nan 8.190 nan 0.000 0.455 182 T N 0.719 115.262 114.554 -0.018 0.000 2.668 182 T HA -0.074 4.288 4.350 0.019 0.000 0.262 182 T C 0.095 174.795 174.700 -0.001 0.000 1.045 182 T CA 1.781 63.875 62.100 -0.010 0.000 1.152 182 T CB -1.506 67.355 68.868 -0.011 0.000 0.864 182 T HN 0.491 nan 8.240 nan 0.000 0.419 183 P HA -0.138 nan 4.420 nan 0.000 0.216 183 P C 1.496 178.803 177.300 0.012 0.000 1.150 183 P CA 1.316 64.427 63.100 0.019 0.000 0.837 183 P CB -0.058 31.663 31.700 0.036 0.000 0.786 184 R N -0.075 120.430 120.500 0.010 0.000 2.070 184 R HA -0.060 4.291 4.340 0.019 0.000 0.233 184 R C 2.445 178.733 176.300 -0.020 0.000 1.137 184 R CA 1.915 58.015 56.100 0.000 0.000 0.945 184 R CB -0.670 29.632 30.300 0.003 0.000 0.845 184 R HN 0.094 nan 8.270 nan 0.000 0.430 185 M N 0.005 119.594 119.600 -0.019 0.000 2.229 185 M HA -0.064 4.428 4.480 0.019 0.000 0.264 185 M C 2.401 178.684 176.300 -0.028 0.000 1.063 185 M CA 1.614 56.898 55.300 -0.028 0.000 1.114 185 M CB -0.118 32.468 32.600 -0.022 0.000 1.387 185 M HN 0.343 nan 8.290 nan 0.000 0.420 186 A N -0.289 122.521 122.820 -0.017 0.000 2.014 186 A HA -0.147 4.185 4.320 0.019 0.000 0.218 186 A C 1.959 179.530 177.584 -0.021 0.000 1.163 186 A CA 1.751 53.780 52.037 -0.014 0.000 0.652 186 A CB -0.390 18.610 19.000 -0.000 0.000 0.808 186 A HN 0.396 nan 8.150 nan 0.000 0.449 187 E N -0.336 119.849 120.200 -0.026 0.000 2.086 187 E HA -0.031 4.331 4.350 0.019 0.000 0.190 187 E C 1.823 178.371 176.600 -0.086 0.000 0.975 187 E CA 1.108 57.484 56.400 -0.039 0.000 0.813 187 E CB -0.270 29.418 29.700 -0.021 0.000 0.768 187 E HN 0.189 nan 8.360 nan 0.000 0.457 188 V N 1.011 120.863 119.914 -0.104 0.000 2.332 188 V HA -0.287 3.845 4.120 0.019 0.000 0.248 188 V C 2.327 178.345 176.094 -0.126 0.000 1.055 188 V CA 2.004 64.212 62.300 -0.154 0.000 1.038 188 V CB -0.895 30.853 31.823 -0.125 0.000 0.651 188 V HN 0.430 nan 8.190 nan 0.000 0.450 189 A N -1.392 121.381 122.820 -0.080 0.000 1.970 189 A HA -0.142 4.189 4.320 0.019 0.000 0.216 189 A C 2.475 180.029 177.584 -0.051 0.000 1.170 189 A CA 1.810 53.811 52.037 -0.059 0.000 0.645 189 A CB -0.489 18.486 19.000 -0.040 0.000 0.816 189 A HN 0.445 nan 8.150 nan 0.000 0.447 190 S N -0.343 115.329 115.700 -0.047 0.000 2.436 190 S HA -0.032 4.449 4.470 0.019 0.000 0.228 190 S C 1.216 175.795 174.600 -0.035 0.000 1.014 190 S CA 0.112 58.294 58.200 -0.030 0.000 0.950 190 S CB -0.343 62.848 63.200 -0.015 0.000 0.784 190 S HN 0.714 nan 8.310 nan 0.000 0.504 191 R N 1.724 122.183 120.500 -0.068 0.000 2.570 191 R HA 0.116 4.468 4.340 0.019 0.000 0.277 191 R C -0.650 175.627 176.300 -0.039 0.000 1.039 191 R CA -0.207 55.852 56.100 -0.068 0.000 1.065 191 R CB 0.113 30.312 30.300 -0.168 0.000 0.964 191 R HN 0.034 nan 8.270 nan 0.000 0.428 192 D N 4.232 124.639 120.400 0.011 0.000 2.346 192 D HA 0.077 4.729 4.640 0.019 0.000 0.260 192 D C -1.573 174.759 176.300 0.054 0.000 1.252 192 D CA -2.335 51.682 54.000 0.028 0.000 0.895 192 D CB 1.439 42.264 40.800 0.042 0.000 1.097 192 D HN 0.377 nan 8.370 nan 0.000 0.489 193 P HA -0.131 nan 4.420 nan 0.000 0.218 193 P C 1.216 178.562 177.300 0.078 0.000 1.148 193 P CA 1.057 64.195 63.100 0.064 0.000 0.822 193 P CB 0.354 32.067 31.700 0.022 0.000 0.784 194 K N -0.415 120.006 120.400 0.034 0.000 2.001 194 K HA -0.018 4.313 4.320 0.019 0.000 0.208 194 K C 2.152 178.744 176.600 -0.012 0.000 1.048 194 K CA 1.134 57.417 56.287 -0.006 0.000 0.932 194 K CB -1.107 31.385 32.500 -0.012 0.000 0.715 194 K HN 0.238 nan 8.250 nan 0.000 0.437 195 L N -0.082 121.161 121.223 0.034 0.000 2.083 195 L HA -0.196 4.156 4.340 0.019 0.000 0.209 195 L C 2.582 179.500 176.870 0.080 0.000 1.083 195 L CA 1.149 56.017 54.840 0.047 0.000 0.752 195 L CB -0.457 41.646 42.059 0.073 0.000 0.899 195 L HN 0.132 nan 8.230 nan 0.000 0.433 196 Y N 0.492 120.791 120.300 -0.001 0.000 2.242 196 Y HA -0.184 4.378 4.550 0.019 0.000 0.291 196 Y C 2.445 178.354 175.900 0.015 0.000 1.137 196 Y CA 1.007 59.120 58.100 0.023 0.000 1.181 196 Y CB -0.157 38.314 38.460 0.018 0.000 0.989 196 Y HN 0.096 nan 8.280 nan 0.000 0.527 197 A N -0.026 122.788 122.820 -0.010 0.000 1.933 197 A HA -0.154 4.178 4.320 0.019 0.000 0.218 197 A C 2.038 179.452 177.584 -0.284 0.000 1.175 197 A CA 2.022 53.983 52.037 -0.127 0.000 0.628 197 A CB -0.551 18.385 19.000 -0.106 0.000 0.814 197 A HN 0.554 nan 8.150 nan 0.000 0.444 198 M N -0.298 119.071 119.600 -0.384 0.000 2.333 198 M HA 0.104 4.596 4.480 0.019 0.000 0.257 198 M C -0.072 175.753 176.300 -0.791 0.000 1.078 198 M CA 0.173 55.041 55.300 -0.720 0.000 1.005 198 M CB 0.029 32.207 32.600 -0.703 0.000 1.444 198 M HN 0.696 nan 8.290 nan 0.000 0.496 199 H N -0.271 118.763 119.070 -0.060 0.000 2.415 199 H HA -0.082 4.486 4.556 0.019 0.000 0.323 199 H C -2.514 172.888 175.328 0.123 0.000 1.035 199 H CA -0.387 55.659 56.048 -0.004 0.000 1.098 199 H CB -2.156 27.559 29.762 -0.078 0.000 1.575 199 H HN 0.214 nan 8.280 nan 0.000 0.387 200 P HA -0.098 nan 4.420 nan 0.000 0.262 200 P C 0.138 177.644 177.300 0.344 0.000 1.182 200 P CA 0.249 63.522 63.100 0.289 0.000 0.761 200 P CB 0.433 32.297 31.700 0.275 0.000 0.795 201 W N 6.099 127.516 121.300 0.195 0.000 2.295 201 W HA 0.405 5.076 4.660 0.019 0.000 0.333 201 W C -1.571 174.951 176.519 0.005 0.000 0.990 201 W CA -0.811 56.610 57.345 0.125 0.000 1.453 201 W CB 0.203 29.766 29.460 0.173 0.000 1.263 201 W HN 0.050 nan 8.180 nan 0.000 0.380 202 V N 4.955 124.947 119.914 0.131 0.000 2.769 202 V HA 0.609 4.741 4.120 0.019 0.000 0.312 202 V C -0.029 176.043 176.094 -0.038 0.000 1.061 202 V CA -0.778 61.417 62.300 -0.174 0.000 0.931 202 V CB 2.082 33.725 31.823 -0.300 0.000 1.010 202 V HN 0.356 nan 8.190 nan 0.000 0.433 203 T N 1.129 115.615 114.554 -0.113 0.000 2.893 203 T HA 0.386 4.748 4.350 0.019 0.000 0.291 203 T C 0.613 175.278 174.700 -0.059 0.000 1.028 203 T CA -0.162 61.909 62.100 -0.047 0.000 0.995 203 T CB 1.958 70.790 68.868 -0.060 0.000 1.051 203 T HN 0.566 nan 8.240 nan 0.000 0.470 204 S N 1.768 117.456 115.700 -0.020 0.000 2.503 204 S HA 0.212 4.694 4.470 0.019 0.000 0.215 204 S C 0.513 175.104 174.600 -0.015 0.000 1.003 204 S CA -0.087 58.103 58.200 -0.017 0.000 0.910 204 S CB -0.040 63.161 63.200 0.003 0.000 0.790 204 S HN 0.606 nan 8.310 nan 0.000 0.514 205 K N 3.098 123.488 120.400 -0.017 0.000 2.485 205 K HA 0.094 4.425 4.320 0.019 0.000 0.277 205 K C -2.521 174.064 176.600 -0.024 0.000 0.990 205 K CA -1.128 55.148 56.287 -0.018 0.000 0.994 205 K CB -0.046 32.440 32.500 -0.023 0.000 0.906 205 K HN 0.106 nan 8.250 nan 0.000 0.488 206 P HA -0.051 nan 4.420 nan 0.000 0.271 206 P C -0.363 176.920 177.300 -0.027 0.000 1.216 206 P CA -0.397 62.715 63.100 0.019 0.000 0.771 206 P CB 0.532 32.263 31.700 0.052 0.000 0.864 207 L N 5.888 127.072 121.223 -0.066 0.000 2.660 207 L HA 0.060 4.411 4.340 0.019 0.000 0.272 207 L C -1.815 174.914 176.870 -0.236 0.000 1.194 207 L CA -0.954 53.717 54.840 -0.282 0.000 0.945 207 L CB -0.201 41.479 42.059 -0.632 0.000 1.212 207 L HN 0.301 nan 8.230 nan 0.000 0.490 208 P HA 0.017 nan 4.420 nan 0.000 0.271 208 P C 0.299 177.437 177.300 -0.270 0.000 1.238 208 P CA -0.154 62.727 63.100 -0.365 0.000 0.794 208 P CB 0.821 32.048 31.700 -0.787 0.000 0.959 209 E N 0.398 120.510 120.200 -0.148 0.000 2.051 209 E HA -0.193 4.168 4.350 0.019 0.000 0.192 209 E C 1.900 178.509 176.600 0.014 0.000 0.991 209 E CA 1.648 58.081 56.400 0.055 0.000 0.799 209 E CB -1.226 28.524 29.700 0.083 0.000 0.748 209 E HN 0.599 nan 8.360 nan 0.000 0.449 210 Y N -0.782 119.552 120.300 0.056 0.000 2.465 210 Y HA -0.064 4.498 4.550 0.019 0.000 0.289 210 Y C 1.686 177.576 175.900 -0.017 0.000 1.150 210 Y CA 0.687 58.791 58.100 0.007 0.000 1.293 210 Y CB -0.616 37.823 38.460 -0.034 0.000 0.977 210 Y HN -0.013 nan 8.280 nan 0.000 0.556 211 L N -2.155 118.949 121.223 -0.199 0.000 2.354 211 L HA 0.032 4.384 4.340 0.019 0.000 0.212 211 L C 1.998 178.773 176.870 -0.158 0.000 1.091 211 L CA 0.387 55.114 54.840 -0.187 0.000 0.828 211 L CB -0.365 41.493 42.059 -0.335 0.000 0.973 211 L HN 0.296 nan 8.230 nan 0.000 0.461 212 W N 1.737 122.974 121.300 -0.105 0.000 2.409 212 W HA -0.186 4.486 4.660 0.019 0.000 0.299 212 W C 2.644 179.142 176.519 -0.036 0.000 1.203 212 W CA 1.095 58.400 57.345 -0.067 0.000 1.298 212 W CB 0.193 29.611 29.460 -0.071 0.000 1.127 212 W HN 0.095 nan 8.180 nan 0.000 0.528 213 K N 0.461 120.995 120.400 0.223 0.000 2.209 213 K HA -0.110 4.222 4.320 0.019 0.000 0.204 213 K C 1.491 178.150 176.600 0.097 0.000 1.048 213 K CA 1.338 57.707 56.287 0.137 0.000 0.940 213 K CB -0.458 32.103 32.500 0.103 0.000 0.729 213 K HN 0.027 nan 8.250 nan 0.000 0.451 214 K N 0.439 120.883 120.400 0.073 0.000 2.525 214 K HA 0.076 4.407 4.320 0.019 0.000 0.192 214 K C 0.196 176.823 176.600 0.045 0.000 1.029 214 K CA -0.054 56.255 56.287 0.037 0.000 1.029 214 K CB -0.122 32.380 32.500 0.003 0.000 0.814 214 K HN 0.148 nan 8.250 nan 0.000 0.503 215 I N 0.014 120.635 120.570 0.085 0.000 2.720 215 I HA -0.092 4.090 4.170 0.019 0.000 0.287 215 I C 1.282 177.464 176.117 0.107 0.000 1.090 215 I CA 0.090 61.452 61.300 0.104 0.000 1.384 215 I CB 1.314 39.423 38.000 0.182 0.000 1.420 215 I HN 0.039 nan 8.210 nan 0.000 0.575 216 A N 4.740 127.632 122.820 0.121 0.000 1.825 216 A HA -0.066 4.265 4.320 0.019 0.000 0.214 216 A C 0.410 178.055 177.584 0.102 0.000 1.206 216 A CA 1.832 53.947 52.037 0.131 0.000 0.609 216 A CB -0.294 18.835 19.000 0.214 0.000 0.851 216 A HN 0.858 nan 8.150 nan 0.000 0.445 217 N N -2.022 116.736 118.700 0.096 0.000 3.357 217 N HA 0.014 4.766 4.740 0.019 0.000 0.206 217 N C -0.688 174.862 175.510 0.065 0.000 1.458 217 N CA 0.028 53.122 53.050 0.072 0.000 0.776 217 N CB -0.833 37.685 38.487 0.052 0.000 1.626 217 N HN 0.295 nan 8.380 nan 0.000 0.644 218 N N -0.067 118.695 118.700 0.102 0.000 2.708 218 N HA -0.206 4.546 4.740 0.019 0.000 0.249 218 N C -1.103 174.443 175.510 0.060 0.000 1.097 218 N CA 1.229 54.349 53.050 0.116 0.000 0.710 218 N CB -1.324 37.200 38.487 0.061 0.000 1.032 218 N HN 0.851 nan 8.380 nan 0.000 0.551 219 C N 0.338 119.661 119.300 0.038 0.000 2.608 219 C HA 0.772 5.244 4.460 0.019 0.000 0.325 219 C C -0.297 174.651 174.990 -0.071 0.000 1.147 219 C CA -0.957 58.023 59.018 -0.062 0.000 1.359 219 C CB 1.025 28.698 27.740 -0.113 0.000 1.912 219 C HN 0.244 nan 8.230 nan 0.000 0.466 220 I N 4.392 124.870 120.570 -0.153 0.000 2.465 220 I HA 0.441 4.623 4.170 0.019 0.000 0.291 220 I C -0.827 175.160 176.117 -0.217 0.000 1.014 220 I CA -0.370 60.869 61.300 -0.100 0.000 1.093 220 I CB 1.654 39.614 38.000 -0.068 0.000 1.267 220 I HN 0.561 nan 8.210 nan 0.000 0.431 221 F N 6.703 126.632 119.950 -0.035 0.000 2.390 221 F HA 0.444 4.982 4.527 0.019 0.000 0.361 221 F C 0.139 175.904 175.800 -0.059 0.000 1.124 221 F CA -0.221 57.759 58.000 -0.035 0.000 1.149 221 F CB 0.681 39.663 39.000 -0.029 0.000 1.160 221 F HN 0.172 nan 8.300 nan 0.000 0.501 222 I N 4.415 125.025 120.570 0.066 0.000 2.362 222 I HA 0.288 4.469 4.170 0.019 0.000 0.289 222 I C -0.793 175.366 176.117 0.070 0.000 0.994 222 I CA -0.789 60.522 61.300 0.017 0.000 1.158 222 I CB 1.565 39.543 38.000 -0.038 0.000 1.315 222 I HN 0.141 nan 8.210 nan 0.000 0.451 223 V N 7.744 127.709 119.914 0.085 0.000 2.288 223 V HA 0.328 4.460 4.120 0.019 0.000 0.266 223 V C 0.358 176.644 176.094 0.320 0.000 1.048 223 V CA -0.458 61.977 62.300 0.226 0.000 0.842 223 V CB 0.087 32.129 31.823 0.365 0.000 1.064 223 V HN 0.477 nan 8.190 nan 0.000 0.472 224 I N 4.846 125.520 120.570 0.174 0.000 2.496 224 I HA 0.286 4.468 4.170 0.019 0.000 0.285 224 I C 0.457 176.708 176.117 0.223 0.000 1.080 224 I CA 0.134 61.485 61.300 0.084 0.000 1.404 224 I CB 0.313 38.150 38.000 -0.272 0.000 1.403 224 I HN 0.575 nan 8.210 nan 0.000 0.539 225 H N 4.191 123.254 119.070 -0.011 0.000 2.713 225 H HA 0.894 5.462 4.556 0.020 0.000 0.340 225 H C 0.631 175.965 175.328 0.010 0.000 1.271 225 H CA -0.201 55.858 56.048 0.018 0.000 1.306 225 H CB 1.100 30.866 29.762 0.007 0.000 1.839 225 H HN 0.539 nan 8.280 nan 0.000 0.627 226 R N -0.566 120.025 120.500 0.151 0.000 5.516 226 R HA 0.252 4.604 4.340 0.019 0.000 0.064 226 R C 1.311 177.659 176.300 0.078 0.000 0.737 226 R CA 0.714 56.875 56.100 0.101 0.000 1.208 226 R CB -0.588 29.779 30.300 0.113 0.000 1.286 226 R HN 0.453 nan 8.270 nan 0.000 0.394 227 S N -0.326 115.412 115.700 0.063 0.000 3.249 227 S HA 0.139 4.621 4.470 0.019 0.000 0.237 227 S C 1.084 175.705 174.600 0.035 0.000 1.007 227 S CA 1.331 59.558 58.200 0.045 0.000 0.811 227 S CB 1.150 64.373 63.200 0.038 0.000 0.832 227 S HN 0.875 nan 8.310 nan 0.000 0.573 228 T N 0.584 115.150 114.554 0.020 0.000 3.326 228 T HA 0.195 4.556 4.350 0.019 0.000 0.302 228 T C 0.042 174.728 174.700 -0.023 0.000 0.908 228 T CA -0.066 62.035 62.100 0.000 0.000 0.933 228 T CB 0.011 68.882 68.868 0.005 0.000 1.194 228 T HN 0.385 nan 8.240 nan 0.000 0.585 229 T N 1.163 115.707 114.554 -0.017 0.000 2.829 229 T HA 0.682 5.044 4.350 0.019 0.000 0.282 229 T C -0.393 174.257 174.700 -0.084 0.000 0.990 229 T CA -0.625 61.462 62.100 -0.023 0.000 1.028 229 T CB 1.504 70.388 68.868 0.026 0.000 0.951 229 T HN 0.143 nan 8.240 nan 0.000 0.460 230 S N 2.491 118.121 115.700 -0.116 0.000 2.496 230 S HA 0.330 4.811 4.470 0.019 0.000 0.221 230 S C -0.891 173.685 174.600 -0.039 0.000 1.260 230 S CA -0.873 57.197 58.200 -0.216 0.000 1.181 230 S CB 1.133 64.041 63.200 -0.487 0.000 1.136 230 S HN 0.726 nan 8.310 nan 0.000 0.467 231 Q N 2.470 122.313 119.800 0.072 0.000 2.368 231 Q HA 0.425 4.777 4.340 0.019 0.000 0.256 231 Q C -0.522 175.575 176.000 0.162 0.000 0.980 231 Q CA 0.016 55.897 55.803 0.130 0.000 0.887 231 Q CB 0.596 29.435 28.738 0.168 0.000 1.221 231 Q HN 0.588 nan 8.270 nan 0.000 0.458 232 T N 4.992 119.634 114.554 0.148 0.000 2.870 232 T HA 0.431 4.793 4.350 0.019 0.000 0.300 232 T C 0.171 174.983 174.700 0.187 0.000 0.989 232 T CA 0.020 62.234 62.100 0.189 0.000 1.139 232 T CB 0.145 69.142 68.868 0.216 0.000 0.920 232 T HN 0.487 nan 8.240 nan 0.000 0.537 233 I N 2.677 123.330 120.570 0.137 0.000 2.545 233 I HA 0.343 4.525 4.170 0.019 0.000 0.292 233 I C 0.073 176.110 176.117 -0.134 0.000 1.040 233 I CA -1.144 60.181 61.300 0.041 0.000 1.068 233 I CB 2.132 40.164 38.000 0.054 0.000 1.251 233 I HN 0.379 nan 8.210 nan 0.000 0.424 234 K N 4.766 125.001 120.400 -0.275 0.000 2.312 234 K HA 0.520 4.851 4.320 0.019 0.000 0.287 234 K C -0.996 175.438 176.600 -0.277 0.000 1.062 234 K CA -0.315 55.648 56.287 -0.541 0.000 0.934 234 K CB 1.428 33.646 32.500 -0.470 0.000 1.027 234 K HN 0.253 nan 8.250 nan 0.000 0.478 235 V N 2.092 121.853 119.914 -0.255 0.000 2.638 235 V HA 0.111 4.243 4.120 0.019 0.000 0.306 235 V C -0.249 175.784 176.094 -0.103 0.000 1.052 235 V CA -0.794 61.425 62.300 -0.135 0.000 0.885 235 V CB 2.082 33.845 31.823 -0.099 0.000 0.999 235 V HN 0.834 nan 8.190 nan 0.000 0.424 236 S N 5.940 121.607 115.700 -0.054 0.000 2.533 236 S HA 0.204 4.686 4.470 0.019 0.000 0.282 236 S C -1.345 173.261 174.600 0.010 0.000 1.304 236 S CA -0.773 57.421 58.200 -0.010 0.000 1.063 236 S CB 1.134 64.340 63.200 0.010 0.000 0.881 236 S HN 0.616 nan 8.310 nan 0.000 0.493 237 P HA -0.133 nan 4.420 nan 0.000 0.217 237 P C 0.487 177.811 177.300 0.039 0.000 1.148 237 P CA 1.246 64.353 63.100 0.012 0.000 0.834 237 P CB 0.029 31.731 31.700 0.004 0.000 0.783 238 D N -1.103 119.341 120.400 0.074 0.000 2.363 238 D HA -0.038 4.614 4.640 0.019 0.000 0.226 238 D C -0.097 176.235 176.300 0.053 0.000 1.020 238 D CA 0.698 54.742 54.000 0.072 0.000 0.892 238 D CB -0.270 40.578 40.800 0.080 0.000 0.900 238 D HN 0.258 nan 8.370 nan 0.000 0.531 239 D N 1.546 121.969 120.400 0.038 0.000 2.343 239 D HA 0.004 4.656 4.640 0.019 0.000 0.255 239 D C 0.603 176.931 176.300 0.046 0.000 1.187 239 D CA 0.254 54.272 54.000 0.030 0.000 0.875 239 D CB 1.145 41.948 40.800 0.005 0.000 1.136 239 D HN -0.135 nan 8.370 nan 0.000 0.469 240 T N 1.947 116.534 114.554 0.054 0.000 2.930 240 T HA 0.112 4.473 4.350 0.019 0.000 0.306 240 T C -1.637 173.090 174.700 0.046 0.000 1.045 240 T CA -1.310 60.836 62.100 0.077 0.000 1.134 240 T CB 0.896 69.807 68.868 0.072 0.000 0.961 240 T HN 0.068 nan 8.240 nan 0.000 0.545 241 P HA 0.124 nan 4.420 nan 0.000 0.230 241 P C 1.404 178.694 177.300 -0.018 0.000 1.158 241 P CA 0.558 63.636 63.100 -0.037 0.000 0.769 241 P CB -0.125 31.511 31.700 -0.107 0.000 0.807 242 G N 0.428 109.244 108.800 0.026 0.000 2.403 242 G HA2 -0.129 3.843 3.960 0.019 0.000 0.216 242 G HA3 -0.129 3.843 3.960 0.019 0.000 0.216 242 G C 1.556 176.479 174.900 0.037 0.000 1.154 242 G CA 0.678 45.802 45.100 0.041 0.000 0.784 242 G HN 0.312 nan 8.290 nan 0.000 0.538 243 A N 0.365 123.202 122.820 0.028 0.000 2.119 243 A HA 0.268 4.600 4.320 0.019 0.000 0.216 243 A C 2.136 179.720 177.584 -0.001 0.000 1.152 243 A CA 0.426 52.478 52.037 0.025 0.000 0.708 243 A CB -0.223 18.792 19.000 0.026 0.000 0.805 243 A HN 0.357 nan 8.150 nan 0.000 0.460 244 I N -0.547 120.005 120.570 -0.030 0.000 3.291 244 I HA -0.105 4.076 4.170 0.019 0.000 0.279 244 I C 1.758 177.801 176.117 -0.123 0.000 1.294 244 I CA 0.509 61.767 61.300 -0.069 0.000 1.428 244 I CB 0.013 37.957 38.000 -0.093 0.000 1.070 244 I HN 0.279 nan 8.210 nan 0.000 0.478 245 L N -0.623 120.530 121.223 -0.117 0.000 2.316 245 L HA 0.000 4.352 4.340 0.019 0.000 0.207 245 L C 2.296 179.069 176.870 -0.162 0.000 1.070 245 L CA 0.332 55.017 54.840 -0.258 0.000 0.820 245 L CB -0.342 41.683 42.059 -0.056 0.000 0.992 245 L HN 0.135 nan 8.230 nan 0.000 0.466 246 Q N -0.583 119.236 119.800 0.032 0.000 2.364 246 Q HA -0.063 4.288 4.340 0.019 0.000 0.207 246 Q C 1.685 177.718 176.000 0.056 0.000 0.970 246 Q CA 0.803 56.664 55.803 0.097 0.000 0.888 246 Q CB -0.082 28.708 28.738 0.086 0.000 0.951 246 Q HN 0.223 nan 8.270 nan 0.000 0.469 247 S N -0.861 114.852 115.700 0.022 0.000 2.537 247 S HA 0.256 4.738 4.470 0.019 0.000 0.246 247 S C 0.088 174.734 174.600 0.077 0.000 1.036 247 S CA -0.483 57.735 58.200 0.030 0.000 1.041 247 S CB -0.201 63.008 63.200 0.016 0.000 0.799 247 S HN 0.295 nan 8.310 nan 0.000 0.456 248 F N -0.800 119.033 119.950 -0.195 0.000 2.801 248 F HA 0.410 4.949 4.527 0.020 0.000 0.381 248 F C 0.417 176.093 175.800 -0.207 0.000 0.861 248 F CA -0.204 57.630 58.000 -0.277 0.000 1.039 248 F CB 0.371 39.081 39.000 -0.484 0.000 1.041 248 F HN 0.317 nan 8.300 nan 0.000 0.596 249 F N -0.636 119.378 119.950 0.107 0.000 2.731 249 F HA 0.135 4.674 4.527 0.019 0.000 0.298 249 F C 1.618 177.416 175.800 -0.004 0.000 1.106 249 F CA 0.914 58.937 58.000 0.038 0.000 1.329 249 F CB 0.350 39.397 39.000 0.079 0.000 1.100 249 F HN -0.168 nan 8.300 nan 0.000 0.592 250 T N -1.672 112.963 114.554 0.135 0.000 2.987 250 T HA 0.017 4.378 4.350 0.019 0.000 0.248 250 T C 1.686 176.397 174.700 0.018 0.000 0.997 250 T CA -0.042 62.101 62.100 0.072 0.000 1.013 250 T CB 0.257 69.169 68.868 0.075 0.000 1.077 250 T HN -0.014 nan 8.240 nan 0.000 0.483 251 K N 0.930 121.326 120.400 -0.007 0.000 2.217 251 K HA 0.091 4.423 4.320 0.019 0.000 0.202 251 K C 0.673 177.228 176.600 -0.075 0.000 1.051 251 K CA 0.805 57.072 56.287 -0.033 0.000 0.952 251 K CB 0.066 32.550 32.500 -0.026 0.000 0.736 251 K HN 0.465 nan 8.250 nan 0.000 0.453 270 F N 1.331 121.351 119.950 0.117 0.000 2.551 270 F HA 0.777 5.316 4.527 0.019 0.000 0.316 270 F C -0.500 175.363 175.800 0.104 0.000 1.089 270 F CA -0.961 57.118 58.000 0.132 0.000 0.915 270 F CB 1.463 40.598 39.000 0.224 0.000 1.186 270 F HN -0.118 nan 8.300 nan 0.000 0.456 271 V N 3.393 123.347 119.914 0.067 0.000 2.630 271 V HA 0.687 4.819 4.120 0.019 0.000 0.305 271 V C -0.175 175.935 176.094 0.027 0.000 1.046 271 V CA -0.710 61.621 62.300 0.052 0.000 0.934 271 V CB 1.607 33.467 31.823 0.061 0.000 1.003 271 V HN 0.819 nan 8.190 nan 0.000 0.451 272 L N 7.187 128.399 121.223 -0.018 0.000 2.282 272 L HA 0.541 4.892 4.340 0.019 0.000 0.287 272 L C 0.363 177.178 176.870 -0.092 0.000 1.075 272 L CA -0.002 54.784 54.840 -0.090 0.000 0.839 272 L CB 0.604 42.568 42.059 -0.158 0.000 1.219 272 L HN 0.615 nan 8.230 nan 0.000 0.434 273 R N 2.436 122.855 120.500 -0.134 0.000 2.540 273 R HA 0.547 4.899 4.340 0.019 0.000 0.287 273 R C -0.664 175.449 176.300 -0.312 0.000 0.980 273 R CA -0.692 55.222 56.100 -0.310 0.000 0.966 273 R CB 1.756 31.802 30.300 -0.423 0.000 1.106 273 R HN 0.285 nan 8.270 nan 0.000 0.480 274 V N 3.286 122.959 119.914 -0.402 0.000 2.843 274 V HA 0.002 4.134 4.120 0.019 0.000 0.305 274 V C 0.194 176.077 176.094 -0.351 0.000 1.065 274 V CA -0.377 61.685 62.300 -0.397 0.000 1.116 274 V CB 0.971 32.369 31.823 -0.709 0.000 0.968 274 V HN 0.851 nan 8.190 nan 0.000 0.487 275 C N 4.199 123.347 119.300 -0.254 0.000 2.576 275 C HA 0.526 4.997 4.460 0.019 0.000 0.401 275 C C 1.551 176.414 174.990 -0.212 0.000 1.314 275 C CA 0.559 59.442 59.018 -0.225 0.000 1.855 275 C CB -0.766 26.829 27.740 -0.242 0.000 2.537 275 C HN 1.316 nan 8.230 nan 0.000 0.578 276 G N 3.697 112.376 108.800 -0.202 0.000 2.205 276 G HA2 -0.201 3.771 3.960 0.019 0.000 0.261 276 G HA3 -0.201 3.771 3.960 0.019 0.000 0.261 276 G C 0.061 174.821 174.900 -0.233 0.000 0.980 276 G CA 0.055 45.049 45.100 -0.177 0.000 0.632 276 G HN 0.755 nan 8.290 nan 0.000 0.533 277 R N -0.204 120.099 120.500 -0.329 0.000 2.803 277 R HA 0.503 4.855 4.340 0.019 0.000 0.276 277 R C -1.427 174.639 176.300 -0.390 0.000 0.978 277 R CA -0.918 54.955 56.100 -0.378 0.000 0.939 277 R CB 1.065 31.034 30.300 -0.552 0.000 1.179 277 R HN 0.040 nan 8.270 nan 0.000 0.472 278 D N 1.524 121.737 120.400 -0.312 0.000 2.713 278 D HA 0.105 4.757 4.640 0.019 0.000 0.229 278 D C -0.983 175.198 176.300 -0.198 0.000 1.136 278 D CA 0.370 54.210 54.000 -0.267 0.000 1.010 278 D CB 0.250 40.994 40.800 -0.093 0.000 1.084 278 D HN 0.209 nan 8.370 nan 0.000 0.495 279 E N 1.122 121.031 120.200 -0.484 0.000 2.281 279 E HA 0.259 4.621 4.350 0.019 0.000 0.266 279 E C -1.662 174.652 176.600 -0.478 0.000 0.893 279 E CA -0.709 55.510 56.400 -0.301 0.000 0.798 279 E CB 0.451 29.972 29.700 -0.298 0.000 1.245 279 E HN 0.099 nan 8.360 nan 0.000 0.410 280 Y N 2.855 123.074 120.300 -0.136 0.000 2.409 280 Y HA 0.510 5.072 4.550 0.019 0.000 0.339 280 Y C -0.225 175.617 175.900 -0.098 0.000 1.033 280 Y CA -1.088 56.924 58.100 -0.146 0.000 1.094 280 Y CB 1.280 39.634 38.460 -0.176 0.000 1.210 280 Y HN 0.380 nan 8.280 nan 0.000 0.456 281 L N 4.571 125.739 121.223 -0.093 0.000 2.353 281 L HA 0.457 4.808 4.340 0.019 0.000 0.269 281 L C -0.590 176.159 176.870 -0.202 0.000 1.085 281 L CA -0.154 54.406 54.840 -0.467 0.000 0.938 281 L CB -0.092 41.523 42.059 -0.739 0.000 1.312 281 L HN 0.489 nan 8.230 nan 0.000 0.429 282 V N -0.467 119.539 119.914 0.153 0.000 3.074 282 V HA 1.054 5.185 4.120 0.019 0.000 0.314 282 V C 0.418 176.702 176.094 0.317 0.000 1.117 282 V CA -0.652 61.758 62.300 0.183 0.000 1.014 282 V CB 1.205 33.080 31.823 0.088 0.000 1.057 282 V HN 0.722 nan 8.190 nan 0.000 0.438 283 G N 0.974 109.885 108.800 0.186 0.000 2.733 283 G HA2 -0.082 3.890 3.960 0.019 0.000 0.686 283 G HA3 -0.082 3.890 3.960 0.019 0.000 0.686 283 G C -0.557 174.439 174.900 0.159 0.000 1.373 283 G CA -0.399 44.790 45.100 0.149 0.000 0.838 283 G HN 1.029 nan 8.290 nan 0.000 0.588 284 E N 1.363 121.623 120.200 0.099 0.000 1.833 284 E HA 0.334 4.696 4.350 0.019 0.000 0.258 284 E C 0.334 176.977 176.600 0.071 0.000 1.257 284 E CA 0.799 57.250 56.400 0.084 0.000 1.003 284 E CB -0.291 29.444 29.700 0.057 0.000 1.068 284 E HN 0.671 nan 8.360 nan 0.000 0.422 285 T N 1.992 116.613 114.554 0.111 0.000 3.041 285 T HA 0.325 4.687 4.350 0.019 0.000 0.321 285 T C -2.730 172.064 174.700 0.156 0.000 1.184 285 T CA -1.623 60.511 62.100 0.056 0.000 1.050 285 T CB 2.226 71.004 68.868 -0.151 0.000 1.159 285 T HN 0.079 nan 8.240 nan 0.000 0.469 286 P HA 0.188 nan 4.420 nan 0.000 0.271 286 P C 1.214 178.638 177.300 0.206 0.000 1.216 286 P CA -0.554 62.617 63.100 0.119 0.000 0.771 286 P CB 0.389 32.129 31.700 0.065 0.000 0.864 287 I N 2.771 123.468 120.570 0.212 0.000 2.300 287 I HA -0.327 3.855 4.170 0.019 0.000 0.252 287 I C 2.021 178.248 176.117 0.183 0.000 1.119 287 I CA 1.950 63.398 61.300 0.245 0.000 1.384 287 I CB -1.542 36.478 38.000 0.033 0.000 1.062 287 I HN 0.314 nan 8.210 nan 0.000 0.426 288 K N 0.751 121.174 120.400 0.038 0.000 2.209 288 K HA -0.131 4.201 4.320 0.019 0.000 0.204 288 K C 1.341 177.895 176.600 -0.076 0.000 1.048 288 K CA 1.814 58.049 56.287 -0.087 0.000 0.940 288 K CB -0.605 31.773 32.500 -0.204 0.000 0.729 288 K HN 0.320 nan 8.250 nan 0.000 0.451 289 N N -0.105 118.580 118.700 -0.026 0.000 2.461 289 N HA 0.086 4.837 4.740 0.019 0.000 0.188 289 N C -0.858 174.526 175.510 -0.210 0.000 1.134 289 N CA 0.222 53.200 53.050 -0.121 0.000 0.878 289 N CB 0.025 38.426 38.487 -0.143 0.000 0.972 289 N HN 0.106 nan 8.380 nan 0.000 0.456 290 F N 1.131 121.037 119.950 -0.073 0.000 2.410 290 F HA 0.194 4.733 4.527 0.020 0.000 0.348 290 F C 1.814 177.525 175.800 -0.147 0.000 1.106 290 F CA -0.485 57.478 58.000 -0.062 0.000 1.163 290 F CB 1.168 40.172 39.000 0.007 0.000 1.129 290 F HN -0.126 nan 8.300 nan 0.000 0.516 291 Q N 3.166 122.865 119.800 -0.169 0.000 2.170 291 Q HA -0.245 4.107 4.340 0.019 0.000 0.203 291 Q C 2.124 177.982 176.000 -0.237 0.000 0.976 291 Q CA 1.335 56.851 55.803 -0.478 0.000 0.858 291 Q CB -0.259 27.600 28.738 -1.466 0.000 0.907 291 Q HN 0.875 nan 8.270 nan 0.000 0.433 292 W N 0.803 121.994 121.300 -0.182 0.000 2.418 292 W HA -0.123 4.549 4.660 0.019 0.000 0.292 292 W C 1.664 178.194 176.519 0.020 0.000 1.213 292 W CA 0.878 58.184 57.345 -0.065 0.000 1.283 292 W CB 0.192 29.642 29.460 -0.017 0.000 1.119 292 W HN -0.102 nan 8.180 nan 0.000 0.542 293 V N 1.848 121.794 119.914 0.054 0.000 2.287 293 V HA -0.316 3.816 4.120 0.019 0.000 0.248 293 V C 2.533 178.533 176.094 -0.157 0.000 1.053 293 V CA 2.189 64.456 62.300 -0.055 0.000 1.027 293 V CB -0.850 30.991 31.823 0.030 0.000 0.646 293 V HN 0.136 nan 8.190 nan 0.000 0.447 294 R N -0.621 119.793 120.500 -0.143 0.000 2.092 294 R HA -0.185 4.167 4.340 0.019 0.000 0.231 294 R C 2.294 178.488 176.300 -0.177 0.000 1.119 294 R CA 1.781 57.777 56.100 -0.173 0.000 0.970 294 R CB -0.576 29.622 30.300 -0.170 0.000 0.864 294 R HN 0.762 nan 8.270 nan 0.000 0.440 295 H N -0.055 118.823 119.070 -0.321 0.000 2.389 295 H HA -0.075 4.493 4.556 0.019 0.000 0.299 295 H C 1.914 176.977 175.328 -0.442 0.000 1.081 295 H CA 1.782 57.607 56.048 -0.371 0.000 1.345 295 H CB -0.154 29.334 29.762 -0.457 0.000 1.393 295 H HN 0.108 nan 8.280 nan 0.000 0.520 296 C N 0.271 119.241 119.300 -0.550 0.000 2.429 296 C HA -0.064 4.408 4.460 0.019 0.000 0.277 296 C C 2.834 177.620 174.990 -0.340 0.000 1.262 296 C CA 0.929 59.639 59.018 -0.513 0.000 1.733 296 C CB -1.047 26.436 27.740 -0.427 0.000 2.010 296 C HN 0.584 nan 8.230 nan 0.000 0.483 297 L N 0.747 121.816 121.223 -0.257 0.000 2.017 297 L HA -0.177 4.175 4.340 0.019 0.000 0.208 297 L C 2.648 179.422 176.870 -0.160 0.000 1.073 297 L CA 1.631 56.364 54.840 -0.179 0.000 0.745 297 L CB -0.776 41.184 42.059 -0.164 0.000 0.894 297 L HN 0.351 nan 8.230 nan 0.000 0.432 298 K N 0.449 120.742 120.400 -0.178 0.000 2.009 298 K HA -0.168 4.164 4.320 0.019 0.000 0.210 298 K C 1.535 178.032 176.600 -0.171 0.000 1.049 298 K CA 1.756 57.964 56.287 -0.133 0.000 0.929 298 K CB -0.042 32.391 32.500 -0.112 0.000 0.714 298 K HN 0.351 nan 8.250 nan 0.000 0.440 299 N N -0.043 118.492 118.700 -0.275 0.000 2.449 299 N HA -0.000 4.751 4.740 0.019 0.000 0.191 299 N C 0.585 175.990 175.510 -0.175 0.000 1.161 299 N CA 0.974 53.882 53.050 -0.238 0.000 0.863 299 N CB 0.616 38.903 38.487 -0.335 0.000 0.980 299 N HN 0.460 nan 8.380 nan 0.000 0.458 300 G N 1.346 110.049 108.800 -0.163 0.000 2.283 300 G HA2 -0.305 3.667 3.960 0.019 0.000 0.280 300 G HA3 -0.305 3.667 3.960 0.019 0.000 0.280 300 G C -0.156 174.681 174.900 -0.105 0.000 1.029 300 G CA 0.334 45.366 45.100 -0.113 0.000 0.840 300 G HN 0.432 nan 8.290 nan 0.000 0.505 301 E N 0.106 120.216 120.200 -0.150 0.000 2.314 301 E HA 0.460 4.821 4.350 0.019 0.000 0.262 301 E C 0.443 176.979 176.600 -0.107 0.000 1.093 301 E CA -0.538 55.798 56.400 -0.107 0.000 0.908 301 E CB 0.690 30.307 29.700 -0.139 0.000 1.091 301 E HN 0.657 nan 8.360 nan 0.000 0.425 302 E N 1.123 121.281 120.200 -0.071 0.000 2.249 302 E HA 0.250 4.612 4.350 0.019 0.000 0.280 302 E C -0.620 175.793 176.600 -0.311 0.000 1.016 302 E CA -0.529 55.752 56.400 -0.198 0.000 0.830 302 E CB 0.769 30.335 29.700 -0.223 0.000 1.081 302 E HN 0.274 nan 8.360 nan 0.000 0.395 303 I N 3.978 124.390 120.570 -0.264 0.000 2.349 303 I HA -0.028 4.154 4.170 0.019 0.000 0.302 303 I C -0.013 175.994 176.117 -0.183 0.000 1.180 303 I CA 0.198 61.420 61.300 -0.130 0.000 1.405 303 I CB -0.669 37.296 38.000 -0.059 0.000 1.474 303 I HN 0.310 nan 8.210 nan 0.000 0.632 304 H N 5.657 124.795 119.070 0.113 0.000 2.594 304 H HA 0.474 5.042 4.556 0.020 0.000 0.304 304 H C -0.437 174.821 175.328 -0.116 0.000 1.068 304 H CA -0.446 55.583 56.048 -0.033 0.000 1.308 304 H CB 1.148 30.833 29.762 -0.128 0.000 1.409 304 H HN 0.186 nan 8.280 nan 0.000 0.460 305 V N 3.690 123.587 119.914 -0.028 0.000 2.540 305 V HA 0.209 4.340 4.120 0.019 0.000 0.302 305 V C 0.133 176.163 176.094 -0.106 0.000 1.035 305 V CA -0.961 61.280 62.300 -0.098 0.000 0.873 305 V CB 2.280 34.041 31.823 -0.103 0.000 0.992 305 V HN 0.447 nan 8.190 nan 0.000 0.428 306 V N 6.668 126.501 119.914 -0.134 0.000 2.334 306 V HA 0.538 4.670 4.120 0.019 0.000 0.281 306 V C -0.322 175.730 176.094 -0.069 0.000 1.016 306 V CA -0.646 61.612 62.300 -0.070 0.000 0.832 306 V CB 1.263 33.038 31.823 -0.080 0.000 0.999 306 V HN 0.821 nan 8.190 nan 0.000 0.439 307 L N 8.512 129.703 121.223 -0.053 0.000 2.462 307 L HA 0.451 4.803 4.340 0.019 0.000 0.272 307 L C 0.007 176.882 176.870 0.009 0.000 1.166 307 L CA 1.087 55.899 54.840 -0.046 0.000 0.880 307 L CB 0.206 42.220 42.059 -0.074 0.000 1.142 307 L HN 0.943 nan 8.230 nan 0.000 0.473 308 D N 1.569 121.984 120.400 0.026 0.000 2.825 308 D HA 0.257 4.909 4.640 0.019 0.000 0.327 308 D C -0.997 175.340 176.300 0.062 0.000 1.277 308 D CA -0.607 53.421 54.000 0.047 0.000 0.950 308 D CB 0.922 41.744 40.800 0.036 0.000 1.438 308 D HN 0.320 nan 8.370 nan 0.000 0.526 309 T N 1.209 115.796 114.554 0.055 0.000 2.856 309 T HA 0.525 4.887 4.350 0.019 0.000 0.292 309 T C -2.354 172.362 174.700 0.026 0.000 0.980 309 T CA -0.705 61.418 62.100 0.038 0.000 1.091 309 T CB 1.032 69.914 68.868 0.025 0.000 0.936 309 T HN 0.211 nan 8.240 nan 0.000 0.503 310 P HA 0.206 nan 4.420 nan 0.000 0.268 310 P C -2.266 174.974 177.300 -0.100 0.000 1.204 310 P CA -1.209 61.839 63.100 -0.088 0.000 0.768 310 P CB -0.420 31.230 31.700 -0.083 0.000 0.842 311 P HA 0.021 nan 4.420 nan 0.000 0.269 311 P C -0.379 176.866 177.300 -0.092 0.000 1.209 311 P CA 0.108 63.138 63.100 -0.118 0.000 0.776 311 P CB 0.457 32.057 31.700 -0.168 0.000 0.876 312 D N 3.149 123.517 120.400 -0.052 0.000 2.363 312 D HA 0.060 4.712 4.640 0.019 0.000 0.263 312 D C -1.547 174.736 176.300 -0.028 0.000 1.258 312 D CA -1.747 52.231 54.000 -0.036 0.000 0.907 312 D CB 0.251 41.036 40.800 -0.025 0.000 1.107 312 D HN 0.125 nan 8.370 nan 0.000 0.495 313 P HA 0.032 nan 4.420 nan 0.000 0.239 313 P C 0.279 177.587 177.300 0.013 0.000 1.184 313 P CA 0.409 63.512 63.100 0.006 0.000 0.760 313 P CB 0.294 31.997 31.700 0.006 0.000 0.884 314 A N -1.142 121.676 122.820 -0.004 0.000 2.275 314 A HA 0.142 4.474 4.320 0.019 0.000 0.212 314 A C 1.616 179.195 177.584 -0.009 0.000 1.201 314 A CA 0.333 52.365 52.037 -0.009 0.000 0.843 314 A CB -0.962 18.028 19.000 -0.016 0.000 0.873 314 A HN 0.166 nan 8.150 nan 0.000 0.492 315 L N -0.896 120.326 121.223 -0.002 0.000 2.513 315 L HA 0.083 4.435 4.340 0.019 0.000 0.222 315 L C 0.547 177.428 176.870 0.018 0.000 1.096 315 L CA 0.255 55.093 54.840 -0.003 0.000 0.857 315 L CB 0.062 42.115 42.059 -0.010 0.000 1.026 315 L HN 0.202 nan 8.230 nan 0.000 0.469 316 D N 0.523 120.954 120.400 0.051 0.000 2.325 316 D HA -0.042 4.609 4.640 0.019 0.000 0.234 316 D C 0.537 176.868 176.300 0.053 0.000 1.122 316 D CA 0.135 54.204 54.000 0.115 0.000 0.850 316 D CB 0.085 41.046 40.800 0.269 0.000 0.921 316 D HN 0.361 nan 8.370 nan 0.000 0.513 317 E N 1.346 121.552 120.200 0.010 0.000 2.417 317 E HA 0.071 4.433 4.350 0.019 0.000 0.261 317 E C -0.580 175.999 176.600 -0.036 0.000 1.000 317 E CA -0.047 56.340 56.400 -0.022 0.000 0.919 317 E CB 0.862 30.544 29.700 -0.031 0.000 0.955 317 E HN -0.183 nan 8.360 nan 0.000 0.455 318 V N 6.111 125.993 119.914 -0.055 0.000 2.439 318 V HA 0.206 4.338 4.120 0.019 0.000 0.282 318 V C 0.476 176.512 176.094 -0.097 0.000 1.039 318 V CA -0.575 61.683 62.300 -0.070 0.000 0.913 318 V CB 1.126 32.905 31.823 -0.073 0.000 0.983 318 V HN 0.725 nan 8.190 nan 0.000 0.460 319 R N 3.417 123.828 120.500 -0.148 0.000 2.643 319 R HA 0.244 4.595 4.340 0.019 0.000 0.270 319 R C -0.265 175.940 176.300 -0.159 0.000 1.061 319 R CA -0.649 55.330 56.100 -0.201 0.000 1.107 319 R CB 0.326 30.402 30.300 -0.372 0.000 0.999 319 R HN 0.521 nan 8.270 nan 0.000 0.460 320 K N 1.742 122.061 120.400 -0.133 0.000 2.569 320 K HA -0.097 4.235 4.320 0.019 0.000 0.280 320 K C -0.169 176.383 176.600 -0.080 0.000 0.984 320 K CA 0.990 57.222 56.287 -0.092 0.000 1.064 320 K CB 0.261 32.713 32.500 -0.080 0.000 0.866 320 K HN 0.571 nan 8.250 nan 0.000 0.492 354 L N 3.888 125.072 121.223 -0.065 0.000 2.017 354 L HA 0.050 4.402 4.340 0.019 0.000 0.208 354 L C 1.409 178.378 176.870 0.165 0.000 1.073 354 L CA 2.071 56.915 54.840 0.007 0.000 0.745 354 L CB -0.618 41.391 42.059 -0.084 0.000 0.894 354 L HN 0.898 nan 8.230 nan 0.000 0.432 355 W N 0.458 121.767 121.300 0.014 0.000 2.611 355 W HA -0.104 4.569 4.660 0.021 0.000 0.251 355 W C 1.914 178.435 176.519 0.004 0.000 1.265 355 W CA 0.217 57.564 57.345 0.004 0.000 1.295 355 W CB -0.699 28.760 29.460 -0.002 0.000 1.129 355 W HN 0.343 nan 8.180 nan 0.000 0.630 356 D N -1.986 118.537 120.400 0.204 0.000 2.392 356 D HA 0.020 4.672 4.640 0.019 0.000 0.206 356 D C 0.355 176.706 176.300 0.086 0.000 1.046 356 D CA 0.348 54.421 54.000 0.122 0.000 0.865 356 D CB 0.048 40.904 40.800 0.093 0.000 0.969 356 D HN -0.149 nan 8.370 nan 0.000 0.509 357 C N 2.373 121.726 119.300 0.089 0.000 2.227 357 C HA 0.159 4.631 4.460 0.019 0.000 0.333 357 C C 0.831 175.863 174.990 0.070 0.000 1.145 357 C CA -0.576 58.483 59.018 0.067 0.000 1.643 357 C CB -0.962 26.815 27.740 0.061 0.000 2.185 357 C HN 0.087 nan 8.230 nan 0.000 0.497 358 D N 2.461 122.891 120.400 0.050 0.000 2.324 358 D HA 0.022 4.674 4.640 0.019 0.000 0.235 358 D C 1.059 177.381 176.300 0.037 0.000 1.095 358 D CA 0.291 54.316 54.000 0.042 0.000 0.871 358 D CB 0.118 40.934 40.800 0.026 0.000 0.906 358 D HN 0.699 nan 8.370 nan 0.000 0.522 359 R N 0.233 120.756 120.500 0.038 0.000 2.490 359 R HA 0.311 4.662 4.340 0.019 0.000 0.278 359 R C -0.169 176.167 176.300 0.059 0.000 1.069 359 R CA -0.526 55.590 56.100 0.027 0.000 1.080 359 R CB 1.051 31.349 30.300 -0.003 0.000 1.030 359 R HN -0.194 nan 8.270 nan 0.000 0.491 360 K N 2.258 122.688 120.400 0.051 0.000 2.412 360 K HA -0.014 4.318 4.320 0.019 0.000 0.281 360 K C -0.271 176.411 176.600 0.137 0.000 1.027 360 K CA -0.122 56.227 56.287 0.102 0.000 0.989 360 K CB 0.311 32.854 32.500 0.072 0.000 0.935 360 K HN 0.412 nan 8.250 nan 0.000 0.475 361 F N 4.130 124.145 119.950 0.108 0.000 2.506 361 F HA 0.050 4.589 4.527 0.020 0.000 0.351 361 F C 0.331 176.285 175.800 0.256 0.000 1.136 361 F CA 0.211 58.303 58.000 0.153 0.000 1.298 361 F CB 0.528 39.609 39.000 0.135 0.000 1.145 361 F HN 0.516 nan 8.300 nan 0.000 0.593 362 R N 4.169 124.195 120.500 -0.791 0.000 2.707 362 R HA 0.791 5.142 4.340 0.019 0.000 0.272 362 R C -2.337 173.753 176.300 -0.349 0.000 1.011 362 R CA -1.229 54.648 56.100 -0.371 0.000 0.893 362 R CB 1.723 31.916 30.300 -0.177 0.000 1.233 362 R HN 0.575 nan 8.270 nan 0.000 0.464 363 V N 1.560 121.551 119.914 0.129 0.000 2.638 363 V HA 0.440 4.571 4.120 0.019 0.000 0.306 363 V C -1.077 175.015 176.094 -0.003 0.000 1.052 363 V CA -0.890 61.510 62.300 0.167 0.000 0.885 363 V CB 2.047 34.026 31.823 0.260 0.000 0.999 363 V HN 0.822 nan 8.190 nan 0.000 0.424 364 K N 6.970 127.060 120.400 -0.516 0.000 2.262 364 K HA 0.488 4.820 4.320 0.019 0.000 0.282 364 K C -0.699 175.660 176.600 -0.402 0.000 1.066 364 K CA -0.596 55.167 56.287 -0.873 0.000 0.901 364 K CB 0.680 32.116 32.500 -1.772 0.000 1.089 364 K HN 0.601 nan 8.250 nan 0.000 0.476 365 I N 6.852 127.266 120.570 -0.260 0.000 2.282 365 I HA 0.136 4.317 4.170 0.019 0.000 0.290 365 I C 1.242 177.329 176.117 -0.050 0.000 1.090 365 I CA -0.151 61.061 61.300 -0.146 0.000 1.231 365 I CB 0.573 38.451 38.000 -0.202 0.000 1.434 365 I HN 0.729 nan 8.210 nan 0.000 0.487 366 R N 4.008 124.482 120.500 -0.043 0.000 2.066 366 R HA 0.199 4.550 4.340 0.019 0.000 0.232 366 R C 0.981 177.368 176.300 0.144 0.000 1.131 366 R CA 0.782 56.886 56.100 0.008 0.000 0.955 366 R CB 0.029 30.303 30.300 -0.043 0.000 0.851 366 R HN 0.744 nan 8.270 nan 0.000 0.432 367 G N 0.624 109.536 108.800 0.187 0.000 2.324 367 G HA2 0.344 4.315 3.960 0.019 0.000 0.293 367 G HA3 0.344 4.315 3.960 0.019 0.000 0.293 367 G C -1.744 173.276 174.900 0.199 0.000 1.297 367 G CA -0.721 44.564 45.100 0.308 0.000 0.853 367 G HN 0.206 nan 8.290 nan 0.000 0.535 368 I N -1.941 118.753 120.570 0.207 0.000 2.689 368 I HA 0.849 5.031 4.170 0.019 0.000 0.299 368 I C -1.488 174.648 176.117 0.031 0.000 1.059 368 I CA -0.991 60.368 61.300 0.099 0.000 1.055 368 I CB 2.798 40.888 38.000 0.151 0.000 1.243 368 I HN 0.575 nan 8.210 nan 0.000 0.425 369 D N 5.764 126.143 120.400 -0.035 0.000 2.863 369 D HA 0.373 5.025 4.640 0.019 0.000 0.245 369 D C -1.391 174.864 176.300 -0.075 0.000 1.211 369 D CA -0.212 53.763 54.000 -0.042 0.000 0.888 369 D CB 2.718 43.493 40.800 -0.043 0.000 1.483 369 D HN 0.546 nan 8.370 nan 0.000 0.533 370 I N 3.105 123.638 120.570 -0.061 0.000 2.410 370 I HA 0.218 4.399 4.170 0.019 0.000 0.286 370 I C -1.968 174.113 176.117 -0.060 0.000 1.009 370 I CA -2.795 58.456 61.300 -0.081 0.000 1.111 370 I CB 2.225 40.169 38.000 -0.093 0.000 1.262 370 I HN 0.142 nan 8.210 nan 0.000 0.443 371 P HA -0.034 nan 4.420 nan 0.000 0.225 371 P C 0.277 177.553 177.300 -0.041 0.000 1.148 371 P CA 0.930 64.009 63.100 -0.035 0.000 0.779 371 P CB 0.529 32.216 31.700 -0.022 0.000 0.780 372 V N -1.260 118.627 119.914 -0.045 0.000 3.102 372 V HA 0.565 4.697 4.120 0.019 0.000 0.312 372 V C -0.790 175.252 176.094 -0.086 0.000 1.135 372 V CA -1.081 61.189 62.300 -0.050 0.000 1.022 372 V CB 2.516 34.325 31.823 -0.023 0.000 1.056 372 V HN -0.209 nan 8.190 nan 0.000 0.436 380 T N 0.302 114.964 114.554 0.181 0.000 2.918 380 T HA 0.742 5.104 4.350 0.019 0.000 0.286 380 T C -1.318 173.399 174.700 0.028 0.000 1.026 380 T CA -0.298 61.882 62.100 0.132 0.000 1.031 380 T CB 1.593 70.543 68.868 0.136 0.000 1.046 380 T HN 0.388 nan 8.240 nan 0.000 0.479 381 V N 5.928 125.879 119.914 0.061 0.000 2.777 381 V HA 0.812 4.943 4.120 0.019 0.000 0.306 381 V C -1.824 174.473 176.094 0.338 0.000 1.112 381 V CA -0.851 61.428 62.300 -0.036 0.000 0.917 381 V CB 1.316 32.884 31.823 -0.425 0.000 1.018 381 V HN 0.828 nan 8.190 nan 0.000 0.426 382 F N 5.436 125.469 119.950 0.139 0.000 2.578 382 F HA 0.883 5.422 4.527 0.019 0.000 0.311 382 F C -1.172 174.623 175.800 -0.008 0.000 1.094 382 F CA -1.129 56.934 58.000 0.105 0.000 0.923 382 F CB 1.725 40.765 39.000 0.067 0.000 1.230 382 F HN 0.259 nan 8.300 nan 0.000 0.450 383 V N 2.733 122.555 119.914 -0.154 0.000 2.432 383 V HA 0.269 4.401 4.120 0.019 0.000 0.275 383 V C -0.252 175.864 176.094 0.036 0.000 1.043 383 V CA -0.439 61.741 62.300 -0.201 0.000 0.925 383 V CB 1.132 32.676 31.823 -0.464 0.000 0.985 383 V HN 0.885 nan 8.190 nan 0.000 0.466 384 E N 3.588 123.868 120.200 0.134 0.000 2.129 384 E HA 0.654 5.015 4.350 0.019 0.000 0.268 384 E C -0.654 176.051 176.600 0.176 0.000 0.900 384 E CA -0.604 55.949 56.400 0.256 0.000 0.755 384 E CB 1.599 31.587 29.700 0.481 0.000 1.117 384 E HN 0.805 nan 8.360 nan 0.000 0.410 385 A N 5.100 128.040 122.820 0.199 0.000 2.304 385 A HA 0.514 4.846 4.320 0.019 0.000 0.323 385 A C -0.683 177.101 177.584 0.333 0.000 1.195 385 A CA -0.768 51.432 52.037 0.271 0.000 0.826 385 A CB 0.736 19.978 19.000 0.404 0.000 1.184 385 A HN 0.697 nan 8.150 nan 0.000 0.496 386 N N 2.028 120.827 118.700 0.165 0.000 2.258 386 N HA 0.377 5.129 4.740 0.019 0.000 0.299 386 N C -1.267 174.171 175.510 -0.121 0.000 1.047 386 N CA -0.371 52.719 53.050 0.066 0.000 0.814 386 N CB 2.065 40.587 38.487 0.058 0.000 1.413 386 N HN 0.542 nan 8.380 nan 0.000 0.478 387 I N 2.311 122.740 120.570 -0.235 0.000 2.282 387 I HA 0.136 4.318 4.170 0.019 0.000 0.290 387 I C 0.127 176.152 176.117 -0.152 0.000 1.090 387 I CA -0.127 60.985 61.300 -0.314 0.000 1.231 387 I CB 0.323 38.006 38.000 -0.529 0.000 1.434 387 I HN 0.242 nan 8.210 nan 0.000 0.487 388 Q N 4.715 124.446 119.800 -0.115 0.000 2.256 388 Q HA 0.337 4.688 4.340 0.019 0.000 0.257 388 Q C -0.400 175.580 176.000 -0.034 0.000 0.936 388 Q CA -0.472 55.292 55.803 -0.066 0.000 0.903 388 Q CB 2.252 30.944 28.738 -0.077 0.000 1.263 388 Q HN 0.466 nan 8.270 nan 0.000 0.440 389 H N 1.305 120.300 119.070 -0.126 0.000 2.854 389 H HA 0.223 4.791 4.556 0.019 0.000 0.275 389 H C -0.282 174.924 175.328 -0.204 0.000 1.198 389 H CA 0.137 56.086 56.048 -0.165 0.000 1.489 389 H CB 0.647 30.335 29.762 -0.122 0.000 1.519 389 H HN 0.999 nan 8.280 nan 0.000 0.503 390 G N 4.205 112.768 108.800 -0.395 0.000 2.354 390 G HA2 -0.312 3.659 3.960 0.019 0.000 0.278 390 G HA3 -0.312 3.659 3.960 0.019 0.000 0.278 390 G C 0.418 175.172 174.900 -0.244 0.000 0.953 390 G CA 1.168 46.052 45.100 -0.360 0.000 1.346 390 G HN 0.798 nan 8.290 nan 0.000 0.467 391 Q N -2.171 117.529 119.800 -0.166 0.000 2.258 391 Q HA -0.245 4.107 4.340 0.019 0.000 0.167 391 Q C 0.850 176.805 176.000 -0.074 0.000 0.586 391 Q CA 2.647 58.379 55.803 -0.119 0.000 1.398 391 Q CB -1.140 27.515 28.738 -0.138 0.000 1.415 391 Q HN 1.074 nan 8.270 nan 0.000 0.903 392 Q N 0.415 120.183 119.800 -0.053 0.000 2.314 392 Q HA 0.464 4.816 4.340 0.019 0.000 0.257 392 Q C -0.992 175.013 176.000 0.008 0.000 0.975 392 Q CA -0.286 55.520 55.803 0.006 0.000 0.933 392 Q CB 0.975 29.762 28.738 0.083 0.000 1.195 392 Q HN 0.095 nan 8.270 nan 0.000 0.426 393 V N 7.336 127.253 119.914 0.005 0.000 2.320 393 V HA 0.043 4.174 4.120 0.019 0.000 0.265 393 V C 1.129 177.229 176.094 0.009 0.000 1.048 393 V CA 0.012 62.314 62.300 0.003 0.000 0.865 393 V CB 0.446 32.276 31.823 0.012 0.000 1.043 393 V HN 0.917 nan 8.190 nan 0.000 0.474 394 L N 2.913 124.133 121.223 -0.005 0.000 2.056 394 L HA -0.007 4.344 4.340 0.019 0.000 0.207 394 L C 1.063 177.941 176.870 0.012 0.000 1.078 394 L CA 1.296 56.131 54.840 -0.008 0.000 0.749 394 L CB -0.117 41.919 42.059 -0.038 0.000 0.901 394 L HN 0.628 nan 8.230 nan 0.000 0.433 395 C N -1.208 118.103 119.300 0.019 0.000 3.173 395 C HA 0.536 5.007 4.460 0.019 0.000 0.310 395 C C -1.064 174.053 174.990 0.211 0.000 1.306 395 C CA -0.562 58.537 59.018 0.136 0.000 1.426 395 C CB 1.979 29.865 27.740 0.242 0.000 1.800 395 C HN 0.408 nan 8.230 nan 0.000 0.470 396 Q N 3.378 123.349 119.800 0.285 0.000 2.271 396 Q HA 0.647 4.999 4.340 0.019 0.000 0.268 396 Q C -1.227 174.900 176.000 0.212 0.000 1.021 396 Q CA -0.535 55.431 55.803 0.272 0.000 0.802 396 Q CB 1.209 30.033 28.738 0.143 0.000 1.282 396 Q HN 0.696 nan 8.270 nan 0.000 0.431 397 R N 2.309 122.929 120.500 0.201 0.000 2.807 397 R HA 0.646 4.998 4.340 0.019 0.000 0.276 397 R C -0.959 175.346 176.300 0.008 0.000 0.979 397 R CA -0.670 55.401 56.100 -0.049 0.000 0.928 397 R CB 2.084 32.119 30.300 -0.442 0.000 1.191 397 R HN 0.704 nan 8.270 nan 0.000 0.471 398 R N -0.615 119.850 120.500 -0.058 0.000 2.808 398 R HA 0.466 4.818 4.340 0.019 0.000 0.272 398 R C -0.278 175.951 176.300 -0.118 0.000 0.995 398 R CA -0.641 55.441 56.100 -0.029 0.000 0.917 398 R CB 2.304 32.540 30.300 -0.105 0.000 1.217 398 R HN 0.796 nan 8.270 nan 0.000 0.471 399 T N -1.517 112.951 114.554 -0.143 0.000 2.897 399 T HA 0.357 4.719 4.350 0.019 0.000 0.278 399 T C 0.287 174.948 174.700 -0.065 0.000 0.981 399 T CA -0.875 61.060 62.100 -0.275 0.000 0.973 399 T CB 1.209 69.523 68.868 -0.923 0.000 1.092 399 T HN 0.532 nan 8.240 nan 0.000 0.543 400 S N 1.075 116.841 115.700 0.109 0.000 2.565 400 S HA 0.418 4.900 4.470 0.019 0.000 0.276 400 S C -2.752 172.068 174.600 0.366 0.000 1.326 400 S CA -1.295 57.016 58.200 0.184 0.000 1.045 400 S CB -0.125 63.195 63.200 0.200 0.000 0.918 400 S HN 0.626 nan 8.310 nan 0.000 0.505 401 P HA 0.410 nan 4.420 nan 0.000 0.276 401 P C -0.591 176.848 177.300 0.232 0.000 1.264 401 P CA -0.348 62.929 63.100 0.296 0.000 0.769 401 P CB 0.359 32.170 31.700 0.185 0.000 0.840 402 K N 5.025 125.571 120.400 0.243 0.000 2.139 402 K HA 0.577 4.909 4.320 0.019 0.000 0.243 402 K C -2.423 174.206 176.600 0.049 0.000 0.983 402 K CA -2.408 53.901 56.287 0.035 0.000 0.890 402 K CB 0.184 32.525 32.500 -0.264 0.000 1.090 402 K HN 0.200 nan 8.250 nan 0.000 0.445 403 P HA 0.010 nan 4.420 nan 0.000 0.271 403 P C -0.919 176.470 177.300 0.149 0.000 1.218 403 P CA -0.184 62.963 63.100 0.078 0.000 0.780 403 P CB 0.284 32.008 31.700 0.040 0.000 0.901 404 F N 3.874 123.835 119.950 0.020 0.000 2.509 404 F HA 0.219 4.758 4.527 0.020 0.000 0.350 404 F C 0.342 176.141 175.800 -0.000 0.000 1.220 404 F CA -0.262 57.753 58.000 0.024 0.000 1.151 404 F CB -1.118 37.916 39.000 0.057 0.000 1.379 404 F HN 0.174 nan 8.300 nan 0.000 0.610 405 T N 1.501 116.171 114.554 0.194 0.000 2.930 405 T HA 0.314 4.676 4.350 0.019 0.000 0.290 405 T C 0.894 175.587 174.700 -0.012 0.000 1.052 405 T CA -0.813 61.292 62.100 0.008 0.000 1.017 405 T CB 1.625 70.487 68.868 -0.010 0.000 1.137 405 T HN 0.363 nan 8.240 nan 0.000 0.511 406 E N 0.368 120.527 120.200 -0.068 0.000 2.333 406 E HA -0.128 4.234 4.350 0.019 0.000 0.200 406 E C 0.452 177.033 176.600 -0.032 0.000 1.010 406 E CA 1.061 57.423 56.400 -0.063 0.000 0.841 406 E CB 0.117 29.778 29.700 -0.065 0.000 0.757 406 E HN 0.820 nan 8.360 nan 0.000 0.508 407 E N 0.161 120.345 120.200 -0.026 0.000 2.313 407 E HA 0.299 4.661 4.350 0.019 0.000 0.280 407 E C -1.748 174.814 176.600 -0.063 0.000 0.898 407 E CA -0.279 56.101 56.400 -0.033 0.000 0.803 407 E CB 1.885 31.559 29.700 -0.043 0.000 1.286 407 E HN -0.203 nan 8.360 nan 0.000 0.401 408 V N 6.031 125.893 119.914 -0.087 0.000 2.407 408 V HA 0.453 4.585 4.120 0.019 0.000 0.291 408 V C -0.080 175.787 176.094 -0.377 0.000 1.018 408 V CA -0.602 61.530 62.300 -0.280 0.000 0.842 408 V CB 1.286 32.915 31.823 -0.324 0.000 0.996 408 V HN 0.582 nan 8.190 nan 0.000 0.426 409 L N 3.403 124.377 121.223 -0.415 0.000 2.330 409 L HA 0.575 4.926 4.340 0.019 0.000 0.271 409 L C 0.259 176.913 176.870 -0.360 0.000 1.013 409 L CA -0.442 54.256 54.840 -0.237 0.000 0.816 409 L CB 2.408 44.403 42.059 -0.106 0.000 1.287 409 L HN 0.643 nan 8.230 nan 0.000 0.435 410 W N -0.217 121.063 121.300 -0.035 0.000 4.084 410 W HA 0.068 4.740 4.660 0.020 0.000 0.203 410 W C 0.804 177.291 176.519 -0.053 0.000 1.101 410 W CA 0.007 57.331 57.345 -0.034 0.000 1.673 410 W CB 0.286 29.728 29.460 -0.031 0.000 0.705 410 W HN 0.746 nan 8.180 nan 0.000 0.897 411 N N 0.920 119.712 118.700 0.153 0.000 2.714 411 N HA -0.187 4.565 4.740 0.019 0.000 0.250 411 N C -0.447 175.048 175.510 -0.026 0.000 1.117 411 N CA 0.997 54.051 53.050 0.007 0.000 0.719 411 N CB -1.318 37.166 38.487 -0.005 0.000 1.081 411 N HN -0.060 nan 8.380 nan 0.000 0.557 412 V N -3.130 116.791 119.914 0.013 0.000 2.649 412 V HA 0.501 4.633 4.120 0.019 0.000 0.292 412 V C 0.604 176.639 176.094 -0.099 0.000 1.055 412 V CA -0.720 61.581 62.300 0.002 0.000 1.023 412 V CB 0.955 32.794 31.823 0.027 0.000 0.992 412 V HN 0.258 nan 8.190 nan 0.000 0.480 413 W N 3.986 125.262 121.300 -0.040 0.000 2.283 413 W HA 0.614 5.285 4.660 0.019 0.000 0.317 413 W C -0.249 176.195 176.519 -0.124 0.000 1.042 413 W CA -0.590 56.710 57.345 -0.075 0.000 1.348 413 W CB 1.407 30.827 29.460 -0.067 0.000 1.216 413 W HN 0.540 nan 8.180 nan 0.000 0.404 414 L N 4.083 125.356 121.223 0.084 0.000 2.283 414 L HA 0.219 4.570 4.340 0.019 0.000 0.287 414 L C 0.358 177.099 176.870 -0.215 0.000 1.073 414 L CA -0.179 54.577 54.840 -0.139 0.000 0.822 414 L CB 0.737 42.633 42.059 -0.271 0.000 1.186 414 L HN 0.366 nan 8.230 nan 0.000 0.436 415 E N 3.214 123.286 120.200 -0.213 0.000 2.227 415 E HA 0.360 4.722 4.350 0.019 0.000 0.282 415 E C -1.096 175.360 176.600 -0.240 0.000 1.015 415 E CA -0.555 55.750 56.400 -0.158 0.000 0.823 415 E CB 0.919 30.573 29.700 -0.077 0.000 1.081 415 E HN 0.248 nan 8.360 nan 0.000 0.396 416 F N 1.435 121.451 119.950 0.110 0.000 2.403 416 F HA 0.113 4.652 4.527 0.019 0.000 0.326 416 F C 1.817 177.675 175.800 0.097 0.000 1.081 416 F CA -0.259 57.824 58.000 0.138 0.000 1.041 416 F CB 1.590 40.742 39.000 0.253 0.000 1.234 416 F HN 0.581 nan 8.300 nan 0.000 0.503 417 S N 0.361 116.221 115.700 0.266 0.000 2.453 417 S HA -0.001 4.480 4.470 0.019 0.000 0.231 417 S C 0.514 175.196 174.600 0.136 0.000 1.005 417 S CA 0.362 58.650 58.200 0.147 0.000 0.949 417 S CB -0.513 62.746 63.200 0.100 0.000 0.774 417 S HN 0.365 nan 8.310 nan 0.000 0.510 418 I N 2.567 123.239 120.570 0.170 0.000 2.529 418 I HA 0.180 4.362 4.170 0.019 0.000 0.284 418 I C 0.571 176.773 176.117 0.142 0.000 1.082 418 I CA 0.069 61.434 61.300 0.108 0.000 1.406 418 I CB 0.666 38.693 38.000 0.044 0.000 1.405 418 I HN 0.074 nan 8.210 nan 0.000 0.548 419 K N 5.370 125.825 120.400 0.092 0.000 2.202 419 K HA 0.238 4.569 4.320 0.019 0.000 0.264 419 K C 1.018 177.689 176.600 0.119 0.000 1.010 419 K CA -0.691 55.656 56.287 0.101 0.000 0.940 419 K CB 0.800 33.336 32.500 0.061 0.000 0.983 419 K HN 0.449 nan 8.250 nan 0.000 0.475 420 I N 2.495 123.156 120.570 0.151 0.000 2.264 420 I HA -0.301 3.881 4.170 0.019 0.000 0.248 420 I C 2.128 178.323 176.117 0.129 0.000 1.111 420 I CA 1.838 63.235 61.300 0.161 0.000 1.382 420 I CB -0.870 37.231 38.000 0.169 0.000 1.060 420 I HN 0.695 nan 8.210 nan 0.000 0.418 421 K N 0.108 120.587 120.400 0.133 0.000 2.288 421 K HA -0.119 4.213 4.320 0.019 0.000 0.201 421 K C 1.071 177.755 176.600 0.140 0.000 1.048 421 K CA 1.242 57.642 56.287 0.187 0.000 0.956 421 K CB -0.164 32.429 32.500 0.155 0.000 0.746 421 K HN 0.198 nan 8.250 nan 0.000 0.461 422 D N 1.085 121.520 120.400 0.059 0.000 2.349 422 D HA 0.070 4.721 4.640 0.019 0.000 0.215 422 D C 0.309 176.607 176.300 -0.003 0.000 1.016 422 D CA 0.231 54.234 54.000 0.004 0.000 0.870 422 D CB 0.137 40.925 40.800 -0.020 0.000 0.917 422 D HN 0.196 nan 8.370 nan 0.000 0.524 423 L N 3.059 124.288 121.223 0.010 0.000 2.462 423 L HA 0.135 4.487 4.340 0.019 0.000 0.272 423 L C -2.049 174.830 176.870 0.014 0.000 1.166 423 L CA -1.156 53.659 54.840 -0.042 0.000 0.880 423 L CB 0.468 42.473 42.059 -0.090 0.000 1.142 423 L HN -0.181 nan 8.230 nan 0.000 0.473 424 P HA 0.170 nan 4.420 nan 0.000 0.293 424 P C -1.134 176.211 177.300 0.076 0.000 1.291 424 P CA -0.957 62.159 63.100 0.026 0.000 0.867 424 P CB 1.038 32.651 31.700 -0.144 0.000 1.074 425 K N 1.281 121.758 120.400 0.127 0.000 2.361 425 K HA 0.292 4.624 4.320 0.019 0.000 0.283 425 K C 0.772 177.486 176.600 0.190 0.000 1.078 425 K CA 0.925 57.276 56.287 0.108 0.000 1.041 425 K CB -1.004 31.502 32.500 0.011 0.000 0.932 425 K HN 0.856 nan 8.250 nan 0.000 0.462 426 G N 2.159 111.040 108.800 0.135 0.000 2.485 426 G HA2 -0.159 3.813 3.960 0.019 0.000 0.181 426 G HA3 -0.159 3.813 3.960 0.019 0.000 0.181 426 G C -0.046 174.814 174.900 -0.065 0.000 0.999 426 G CA -0.170 44.919 45.100 -0.019 0.000 0.721 426 G HN 0.805 nan 8.290 nan 0.000 0.486 427 A N 0.807 123.664 122.820 0.062 0.000 2.477 427 A HA 0.674 5.005 4.320 0.019 0.000 0.246 427 A C 0.352 177.855 177.584 -0.134 0.000 1.078 427 A CA 0.458 52.488 52.037 -0.011 0.000 0.770 427 A CB 0.307 19.267 19.000 -0.067 0.000 1.011 427 A HN 0.712 nan 8.150 nan 0.000 0.494 428 L N 1.556 122.689 121.223 -0.149 0.000 2.334 428 L HA 0.510 4.862 4.340 0.019 0.000 0.272 428 L C -0.651 176.117 176.870 -0.169 0.000 1.020 428 L CA -0.968 53.780 54.840 -0.154 0.000 0.812 428 L CB 1.798 43.782 42.059 -0.124 0.000 1.264 428 L HN 0.690 nan 8.230 nan 0.000 0.439 429 L N 3.526 124.664 121.223 -0.141 0.000 2.294 429 L HA 0.365 4.717 4.340 0.019 0.000 0.283 429 L C -0.344 176.498 176.870 -0.047 0.000 1.015 429 L CA 0.030 54.801 54.840 -0.115 0.000 0.831 429 L CB 0.933 42.948 42.059 -0.074 0.000 1.217 429 L HN 0.510 nan 8.230 nan 0.000 0.420 430 N N 6.469 125.156 118.700 -0.022 0.000 2.439 430 N HA 0.279 5.030 4.740 0.019 0.000 0.249 430 N C -1.452 174.094 175.510 0.060 0.000 1.003 430 N CA -0.421 52.645 53.050 0.026 0.000 0.942 430 N CB 0.793 39.288 38.487 0.013 0.000 1.115 430 N HN 0.664 nan 8.380 nan 0.000 0.505 431 L N 2.890 124.153 121.223 0.067 0.000 2.275 431 L HA 0.383 4.735 4.340 0.019 0.000 0.288 431 L C 0.170 177.075 176.870 0.058 0.000 1.046 431 L CA -0.465 54.408 54.840 0.055 0.000 0.805 431 L CB 1.477 43.549 42.059 0.021 0.000 1.193 431 L HN 0.397 nan 8.230 nan 0.000 0.426 432 Q N 3.756 123.569 119.800 0.021 0.000 2.356 432 Q HA 0.594 4.946 4.340 0.019 0.000 0.270 432 Q C -1.215 174.666 176.000 -0.199 0.000 1.058 432 Q CA -0.686 55.069 55.803 -0.080 0.000 0.802 432 Q CB 3.409 32.061 28.738 -0.143 0.000 1.303 432 Q HN 0.528 nan 8.270 nan 0.000 0.444 433 I N 2.643 123.059 120.570 -0.257 0.000 2.355 433 I HA 0.327 4.508 4.170 0.019 0.000 0.288 433 I C -1.103 174.722 176.117 -0.488 0.000 0.999 433 I CA -0.487 60.649 61.300 -0.272 0.000 1.163 433 I CB 0.609 38.579 38.000 -0.049 0.000 1.316 433 I HN 0.495 nan 8.210 nan 0.000 0.454 434 Y N 5.054 125.033 120.300 -0.536 0.000 2.457 434 Y HA 0.628 5.190 4.550 0.019 0.000 0.333 434 Y C 0.511 176.128 175.900 -0.471 0.000 1.119 434 Y CA -0.639 57.127 58.100 -0.557 0.000 1.143 434 Y CB 1.606 39.502 38.460 -0.939 0.000 1.230 434 Y HN 0.664 nan 8.280 nan 0.000 0.469 459 Q N 4.972 124.896 119.800 0.207 0.000 2.271 459 Q HA 0.791 5.143 4.340 0.019 0.000 0.268 459 Q C -1.259 174.810 176.000 0.116 0.000 1.021 459 Q CA -0.391 55.511 55.803 0.165 0.000 0.802 459 Q CB 2.159 30.957 28.738 0.101 0.000 1.282 459 Q HN 1.581 nan 8.270 nan 0.000 0.431 460 L N 2.423 123.658 121.223 0.020 0.000 2.416 460 L HA 0.498 4.850 4.340 0.019 0.000 0.272 460 L C 0.379 177.129 176.870 -0.199 0.000 1.161 460 L CA 0.366 55.002 54.840 -0.341 0.000 0.845 460 L CB 0.703 42.517 42.059 -0.408 0.000 1.119 460 L HN 0.906 nan 8.230 nan 0.000 0.464 461 L N 3.962 125.051 121.223 -0.223 0.000 2.663 461 L HA 0.306 4.657 4.340 0.019 0.000 0.218 461 L C -0.627 175.965 176.870 -0.464 0.000 1.043 461 L CA -0.332 54.358 54.840 -0.251 0.000 0.876 461 L CB 0.094 42.115 42.059 -0.064 0.000 1.263 461 L HN 0.453 nan 8.230 nan 0.000 0.486 462 Y N -0.788 119.495 120.300 -0.029 0.000 2.581 462 Y HA 0.544 5.106 4.550 0.019 0.000 0.345 462 Y C -0.842 175.109 175.900 0.086 0.000 1.036 462 Y CA -1.306 56.816 58.100 0.037 0.000 1.042 462 Y CB 1.953 40.406 38.460 -0.011 0.000 1.289 462 Y HN -0.015 nan 8.280 nan 0.000 0.471 463 Y N -0.941 119.463 120.300 0.173 0.000 2.597 463 Y HA 0.890 5.452 4.550 0.020 0.000 0.340 463 Y C -2.073 173.950 175.900 0.205 0.000 1.097 463 Y CA -1.453 56.717 58.100 0.115 0.000 1.037 463 Y CB 1.666 40.157 38.460 0.052 0.000 1.305 463 Y HN 0.568 nan 8.280 nan 0.000 0.463 464 V N 2.273 122.302 119.914 0.193 0.000 3.147 464 V HA 0.530 4.661 4.120 0.019 0.000 0.299 464 V C -1.999 174.191 176.094 0.160 0.000 1.302 464 V CA -0.797 61.585 62.300 0.136 0.000 1.015 464 V CB 2.503 34.319 31.823 -0.011 0.000 1.086 464 V HN 1.011 nan 8.190 nan 0.000 0.437 465 N N 3.478 122.265 118.700 0.146 0.000 2.229 465 N HA 0.740 5.492 4.740 0.019 0.000 0.298 465 N C -1.734 173.785 175.510 0.015 0.000 1.114 465 N CA -0.399 52.695 53.050 0.072 0.000 0.776 465 N CB 2.765 41.301 38.487 0.082 0.000 1.501 465 N HN 0.595 nan 8.380 nan 0.000 0.474 466 L N 1.159 122.348 121.223 -0.057 0.000 2.464 466 L HA 0.501 4.853 4.340 0.019 0.000 0.266 466 L C -1.417 175.377 176.870 -0.127 0.000 0.965 466 L CA -0.519 54.252 54.840 -0.115 0.000 0.833 466 L CB 1.683 43.584 42.059 -0.264 0.000 1.296 466 L HN 0.453 nan 8.230 nan 0.000 0.405 467 L N 5.152 126.305 121.223 -0.116 0.000 2.410 467 L HA 0.183 4.534 4.340 0.019 0.000 0.273 467 L C 1.071 177.868 176.870 -0.123 0.000 1.152 467 L CA 0.209 54.960 54.840 -0.148 0.000 0.855 467 L CB 0.855 42.807 42.059 -0.178 0.000 1.129 467 L HN 0.775 nan 8.230 nan 0.000 0.463 468 L N 4.013 125.154 121.223 -0.136 0.000 2.131 468 L HA 0.062 4.414 4.340 0.019 0.000 0.206 468 L C 0.451 177.281 176.870 -0.068 0.000 1.087 468 L CA 0.889 55.650 54.840 -0.133 0.000 0.767 468 L CB 0.034 41.940 42.059 -0.255 0.000 0.917 468 L HN 0.479 nan 8.230 nan 0.000 0.441 469 I N 0.701 121.244 120.570 -0.044 0.000 2.339 469 I HA 0.099 4.280 4.170 0.019 0.000 0.290 469 I C -0.217 175.914 176.117 0.023 0.000 0.994 469 I CA -0.822 60.464 61.300 -0.024 0.000 1.191 469 I CB 1.261 39.240 38.000 -0.035 0.000 1.343 469 I HN 0.089 nan 8.210 nan 0.000 0.458 470 D N 5.958 126.331 120.400 -0.045 0.000 2.384 470 D HA -0.058 4.593 4.640 0.019 0.000 0.244 470 D C 1.322 177.467 176.300 -0.258 0.000 1.251 470 D CA 0.069 54.024 54.000 -0.076 0.000 0.961 470 D CB 0.466 41.132 40.800 -0.224 0.000 1.116 470 D HN 0.653 nan 8.370 nan 0.000 0.484 471 H N 0.204 119.130 119.070 -0.240 0.000 2.518 471 H HA -0.053 4.514 4.556 0.019 0.000 0.292 471 H C 0.998 175.998 175.328 -0.546 0.000 1.068 471 H CA 0.832 56.558 56.048 -0.537 0.000 1.275 471 H CB -0.248 29.196 29.762 -0.530 0.000 1.375 471 H HN 0.394 nan 8.280 nan 0.000 0.563 472 R N -0.716 119.425 120.500 -0.597 0.000 2.362 472 R HA 0.104 4.455 4.340 0.019 0.000 0.227 472 R C -0.259 176.127 176.300 0.143 0.000 0.905 472 R CA 0.005 55.969 56.100 -0.226 0.000 1.067 472 R CB 0.301 30.405 30.300 -0.326 0.000 1.078 472 R HN 0.128 nan 8.270 nan 0.000 0.516 473 F N -0.869 118.942 119.950 -0.232 0.000 2.628 473 F HA -0.229 4.310 4.527 0.019 0.000 0.319 473 F C -0.159 175.558 175.800 -0.137 0.000 0.645 473 F CA 0.069 57.973 58.000 -0.161 0.000 1.499 473 F CB -1.746 37.166 39.000 -0.147 0.000 1.900 473 F HN -0.055 nan 8.300 nan 0.000 0.308 474 L N 1.155 122.360 121.223 -0.029 0.000 2.350 474 L HA 0.450 4.801 4.340 0.019 0.000 0.275 474 L C 0.567 177.424 176.870 -0.021 0.000 1.099 474 L CA -1.009 53.813 54.840 -0.029 0.000 0.808 474 L CB 0.947 42.976 42.059 -0.051 0.000 1.149 474 L HN 0.029 nan 8.230 nan 0.000 0.442 475 L N 3.113 124.343 121.223 0.012 0.000 2.452 475 L HA 0.188 4.539 4.340 0.019 0.000 0.267 475 L C 0.418 177.328 176.870 0.067 0.000 1.188 475 L CA 0.223 55.087 54.840 0.041 0.000 0.821 475 L CB 0.492 42.596 42.059 0.075 0.000 1.102 475 L HN 0.502 nan 8.230 nan 0.000 0.470 476 R N 2.680 123.233 120.500 0.088 0.000 2.347 476 R HA 0.627 4.979 4.340 0.019 0.000 0.304 476 R C -0.436 175.988 176.300 0.207 0.000 1.072 476 R CA 0.369 56.544 56.100 0.125 0.000 0.980 476 R CB 0.232 30.555 30.300 0.039 0.000 0.986 476 R HN 0.845 nan 8.270 nan 0.000 0.448 477 R N 2.115 122.758 120.500 0.238 0.000 2.854 477 R HA 0.803 5.154 4.340 0.019 0.000 0.271 477 R C 0.280 176.730 176.300 0.249 0.000 0.994 477 R CA -0.217 56.017 56.100 0.224 0.000 0.945 477 R CB 1.088 31.470 30.300 0.137 0.000 1.194 477 R HN 1.077 nan 8.270 nan 0.000 0.476 478 G N 0.233 109.131 108.800 0.163 0.000 2.466 478 G HA2 -0.001 3.971 3.960 0.019 0.000 0.316 478 G HA3 -0.001 3.971 3.960 0.019 0.000 0.316 478 G C -1.199 173.669 174.900 -0.053 0.000 1.270 478 G CA -0.345 44.754 45.100 -0.003 0.000 0.982 478 G HN 0.777 nan 8.290 nan 0.000 0.506 479 E N -0.085 119.962 120.200 -0.255 0.000 2.197 479 E HA 0.599 4.961 4.350 0.019 0.000 0.281 479 E C -1.191 175.125 176.600 -0.474 0.000 0.995 479 E CA -0.113 56.156 56.400 -0.219 0.000 0.808 479 E CB 1.507 31.115 29.700 -0.153 0.000 1.093 479 E HN 0.409 nan 8.360 nan 0.000 0.394 480 Y N -0.029 120.235 120.300 -0.060 0.000 2.421 480 Y HA 0.293 4.855 4.550 0.020 0.000 0.339 480 Y C -0.214 175.624 175.900 -0.102 0.000 0.996 480 Y CA -0.929 57.118 58.100 -0.089 0.000 1.046 480 Y CB 1.940 40.307 38.460 -0.155 0.000 1.226 480 Y HN 0.111 nan 8.280 nan 0.000 0.445 481 V N 5.552 125.482 119.914 0.027 0.000 2.284 481 V HA 0.353 4.485 4.120 0.019 0.000 0.274 481 V C -0.620 175.417 176.094 -0.095 0.000 1.023 481 V CA -0.660 61.599 62.300 -0.068 0.000 0.808 481 V CB 0.544 32.316 31.823 -0.086 0.000 1.035 481 V HN 0.550 nan 8.190 nan 0.000 0.445 482 L N 4.726 125.865 121.223 -0.141 0.000 2.264 482 L HA 0.532 4.884 4.340 0.019 0.000 0.289 482 L C 0.390 177.094 176.870 -0.276 0.000 1.044 482 L CA -0.510 54.251 54.840 -0.133 0.000 0.807 482 L CB 0.523 42.511 42.059 -0.117 0.000 1.192 482 L HN 0.513 nan 8.230 nan 0.000 0.425 483 H N 4.323 123.295 119.070 -0.163 0.000 2.722 483 H HA 0.306 4.874 4.556 0.019 0.000 0.328 483 H C -0.253 174.844 175.328 -0.384 0.000 1.067 483 H CA 0.149 56.048 56.048 -0.249 0.000 1.447 483 H CB 1.252 30.862 29.762 -0.254 0.000 1.469 483 H HN 0.495 nan 8.280 nan 0.000 0.544 484 M N 2.383 121.829 119.600 -0.257 0.000 2.367 484 M HA 0.163 4.655 4.480 0.019 0.000 0.339 484 M C -0.465 175.702 176.300 -0.222 0.000 1.177 484 M CA -0.438 54.712 55.300 -0.250 0.000 1.068 484 M CB 1.418 33.973 32.600 -0.074 0.000 1.602 484 M HN 0.435 nan 8.290 nan 0.000 0.457 485 W N 1.806 122.948 121.300 -0.264 0.000 2.316 485 W HA 0.345 5.017 4.660 0.020 0.000 0.311 485 W C 0.444 176.845 176.519 -0.197 0.000 1.217 485 W CA -0.374 56.745 57.345 -0.377 0.000 1.199 485 W CB 0.488 29.378 29.460 -0.951 0.000 1.202 485 W HN 0.550 nan 8.180 nan 0.000 0.528 486 Q N 1.647 121.555 119.800 0.181 0.000 2.308 486 Q HA 0.380 4.732 4.340 0.019 0.000 0.207 486 Q C -0.687 175.343 176.000 0.050 0.000 1.035 486 Q CA -0.510 55.221 55.803 -0.121 0.000 1.008 486 Q CB 0.764 29.468 28.738 -0.057 0.000 1.168 486 Q HN 0.288 nan 8.270 nan 0.000 0.565 487 I N 2.080 122.607 120.570 -0.071 0.000 2.418 487 I HA 0.236 4.418 4.170 0.019 0.000 0.287 487 I C -0.301 175.822 176.117 0.010 0.000 1.008 487 I CA -0.231 61.082 61.300 0.022 0.000 1.104 487 I CB 1.023 39.004 38.000 -0.031 0.000 1.264 487 I HN 0.636 nan 8.210 nan 0.000 0.438 488 S N 4.027 119.757 115.700 0.049 0.000 2.638 488 S HA 1.006 5.488 4.470 0.019 0.000 0.298 488 S C 0.015 174.641 174.600 0.043 0.000 1.111 488 S CA -0.105 58.122 58.200 0.045 0.000 1.027 488 S CB 2.512 65.749 63.200 0.061 0.000 1.064 488 S HN 1.356 nan 8.310 nan 0.000 0.525 498 N N 1.912 120.634 118.700 0.037 0.000 2.459 498 N HA 0.544 5.296 4.740 0.019 0.000 0.288 498 N C 0.916 176.413 175.510 -0.022 0.000 1.186 498 N CA 0.250 53.306 53.050 0.010 0.000 0.917 498 N CB 1.877 40.351 38.487 -0.021 0.000 1.219 498 N HN 0.030 nan 8.380 nan 0.000 0.525 499 A N 0.481 123.307 122.820 0.010 0.000 2.024 499 A HA -0.199 4.133 4.320 0.019 0.000 0.220 499 A C 1.282 178.890 177.584 0.040 0.000 1.164 499 A CA 1.579 53.617 52.037 0.003 0.000 0.643 499 A CB -0.544 18.309 19.000 -0.245 0.000 0.806 499 A HN 0.753 nan 8.150 nan 0.000 0.451 500 D N -0.423 119.923 120.400 -0.090 0.000 2.219 500 D HA -0.083 4.569 4.640 0.019 0.000 0.205 500 D C 1.694 177.897 176.300 -0.161 0.000 0.970 500 D CA 0.833 54.652 54.000 -0.302 0.000 0.851 500 D CB -0.168 40.095 40.800 -0.894 0.000 0.943 500 D HN 0.385 nan 8.370 nan 0.000 0.488 501 K N 0.138 120.401 120.400 -0.228 0.000 2.439 501 K HA 0.038 4.370 4.320 0.019 0.000 0.197 501 K C 1.421 177.935 176.600 -0.142 0.000 1.041 501 K CA 0.210 56.212 56.287 -0.474 0.000 0.970 501 K CB 0.193 32.327 32.500 -0.610 0.000 0.773 501 K HN 0.223 nan 8.250 nan 0.000 0.479 502 L N -0.168 121.050 121.223 -0.007 0.000 2.640 502 L HA 0.056 4.408 4.340 0.019 0.000 0.230 502 L C 1.074 177.986 176.870 0.070 0.000 1.123 502 L CA -0.135 54.729 54.840 0.041 0.000 0.900 502 L CB 0.539 42.642 42.059 0.074 0.000 1.146 502 L HN -0.089 nan 8.230 nan 0.000 0.484 503 T N -0.535 114.046 114.554 0.046 0.000 2.940 503 T HA -0.025 4.336 4.350 0.019 0.000 0.309 503 T C 1.368 176.084 174.700 0.026 0.000 1.056 503 T CA 0.527 62.568 62.100 -0.098 0.000 1.137 503 T CB 0.851 69.456 68.868 -0.439 0.000 0.976 503 T HN 0.372 nan 8.240 nan 0.000 0.547 504 S N 3.402 119.095 115.700 -0.012 0.000 2.528 504 S HA 0.341 4.822 4.470 0.019 0.000 0.219 504 S C 1.011 175.684 174.600 0.123 0.000 0.985 504 S CA 0.004 58.223 58.200 0.032 0.000 0.914 504 S CB -0.038 63.115 63.200 -0.079 0.000 0.776 504 S HN 0.941 nan 8.310 nan 0.000 0.526 505 A N 2.415 125.307 122.820 0.121 0.000 2.386 505 A HA 0.539 4.870 4.320 0.019 0.000 0.248 505 A C 0.655 178.422 177.584 0.304 0.000 1.082 505 A CA -0.028 52.112 52.037 0.172 0.000 0.789 505 A CB -0.006 19.065 19.000 0.119 0.000 1.025 505 A HN 0.578 nan 8.150 nan 0.000 0.490 506 T N 0.151 114.756 114.554 0.086 0.000 2.895 506 T HA 0.369 4.730 4.350 0.019 0.000 0.283 506 T C 0.104 174.399 174.700 -0.674 0.000 1.014 506 T CA -0.949 61.019 62.100 -0.221 0.000 1.037 506 T CB 0.799 69.634 68.868 -0.054 0.000 1.006 506 T HN 0.605 nan 8.240 nan 0.000 0.468 507 N N 3.579 121.382 118.700 -1.495 0.000 2.374 507 N HA 0.019 4.771 4.740 0.019 0.000 0.269 507 N C -1.141 173.998 175.510 -0.618 0.000 1.310 507 N CA -1.736 50.382 53.050 -1.554 0.000 0.877 507 N CB 0.814 38.586 38.487 -1.191 0.000 1.096 507 N HN 0.420 nan 8.380 nan 0.000 0.484 508 P HA -0.098 nan 4.420 nan 0.000 0.217 508 P C 0.012 177.193 177.300 -0.199 0.000 1.151 508 P CA 0.722 63.707 63.100 -0.191 0.000 0.828 508 P CB 0.045 31.716 31.700 -0.049 0.000 0.788 509 D N 0.404 120.696 120.400 -0.179 0.000 2.380 509 D HA -0.019 4.632 4.640 0.019 0.000 0.270 509 D C 1.107 177.276 176.300 -0.219 0.000 1.363 509 D CA 0.334 54.249 54.000 -0.143 0.000 1.057 509 D CB 0.185 40.941 40.800 -0.074 0.000 1.096 509 D HN -0.095 nan 8.370 nan 0.000 0.524 510 K N 1.898 122.128 120.400 -0.284 0.000 2.044 510 K HA -0.021 4.311 4.320 0.019 0.000 0.204 510 K C 1.744 178.218 176.600 -0.210 0.000 1.049 510 K CA 0.627 56.646 56.287 -0.445 0.000 0.945 510 K CB 0.147 32.340 32.500 -0.512 0.000 0.724 510 K HN 0.383 nan 8.250 nan 0.000 0.440 511 E N 0.481 120.604 120.200 -0.128 0.000 2.187 511 E HA -0.194 4.168 4.350 0.019 0.000 0.199 511 E C 0.874 177.451 176.600 -0.038 0.000 1.004 511 E CA 1.050 57.411 56.400 -0.066 0.000 0.813 511 E CB 0.032 29.702 29.700 -0.051 0.000 0.736 511 E HN 0.375 nan 8.360 nan 0.000 0.468 512 N N -0.243 118.437 118.700 -0.033 0.000 2.210 512 N HA -0.005 4.746 4.740 0.019 0.000 0.203 512 N C 0.337 175.855 175.510 0.014 0.000 1.175 512 N CA 0.131 53.179 53.050 -0.003 0.000 0.894 512 N CB 0.835 39.329 38.487 0.012 0.000 1.041 512 N HN -0.039 nan 8.380 nan 0.000 0.506 513 S N 0.740 116.441 115.700 0.002 0.000 2.617 513 S HA 0.443 4.925 4.470 0.019 0.000 0.269 513 S C 0.175 174.755 174.600 -0.034 0.000 1.292 513 S CA -0.688 57.520 58.200 0.013 0.000 1.010 513 S CB 1.606 64.798 63.200 -0.013 0.000 0.944 513 S HN 0.123 nan 8.310 nan 0.000 0.536 514 M N 3.068 122.532 119.600 -0.226 0.000 2.211 514 M HA 0.446 4.937 4.480 0.019 0.000 0.356 514 M C -0.178 175.942 176.300 -0.301 0.000 1.216 514 M CA 0.180 55.238 55.300 -0.404 0.000 1.134 514 M CB 0.868 32.818 32.600 -1.082 0.000 1.564 514 M HN 0.925 nan 8.290 nan 0.000 0.463 515 S N 4.985 120.510 115.700 -0.292 0.000 2.677 515 S HA 0.829 5.310 4.470 0.019 0.000 0.304 515 S C -0.761 173.691 174.600 -0.247 0.000 1.108 515 S CA -1.022 56.935 58.200 -0.405 0.000 0.944 515 S CB 1.472 64.194 63.200 -0.797 0.000 1.127 515 S HN 0.908 nan 8.310 nan 0.000 0.511 516 I N 0.826 121.267 120.570 -0.215 0.000 2.545 516 I HA 0.579 4.761 4.170 0.019 0.000 0.292 516 I C -1.123 174.934 176.117 -0.100 0.000 1.040 516 I CA -0.299 60.933 61.300 -0.112 0.000 1.068 516 I CB 2.166 40.116 38.000 -0.083 0.000 1.251 516 I HN 0.740 nan 8.210 nan 0.000 0.424 517 S N 8.026 123.694 115.700 -0.054 0.000 2.433 517 S HA 0.727 5.209 4.470 0.019 0.000 0.310 517 S C -0.550 174.027 174.600 -0.039 0.000 1.097 517 S CA -0.494 57.678 58.200 -0.046 0.000 1.103 517 S CB 0.907 64.083 63.200 -0.041 0.000 0.992 517 S HN 0.530 nan 8.310 nan 0.000 0.469 518 I N 0.557 121.108 120.570 -0.032 0.000 3.074 518 I HA 0.889 5.071 4.170 0.019 0.000 0.310 518 I C -1.484 174.615 176.117 -0.031 0.000 1.153 518 I CA -1.325 59.948 61.300 -0.045 0.000 0.993 518 I CB 1.756 39.751 38.000 -0.009 0.000 1.237 518 I HN 0.461 nan 8.210 nan 0.000 0.443 519 L N 3.774 124.935 121.223 -0.103 0.000 2.422 519 L HA 0.774 5.125 4.340 0.019 0.000 0.264 519 L C -2.070 174.815 176.870 0.025 0.000 0.984 519 L CA -0.420 54.383 54.840 -0.061 0.000 0.819 519 L CB 2.047 44.008 42.059 -0.163 0.000 1.330 519 L HN 0.726 nan 8.230 nan 0.000 0.410 520 L N 4.743 126.080 121.223 0.191 0.000 2.372 520 L HA 0.398 4.750 4.340 0.019 0.000 0.273 520 L C -0.730 176.304 176.870 0.272 0.000 0.989 520 L CA -0.645 54.358 54.840 0.272 0.000 0.841 520 L CB 1.663 43.892 42.059 0.283 0.000 1.225 520 L HN 0.749 nan 8.230 nan 0.000 0.414 521 D N 1.161 121.759 120.400 0.330 0.000 3.304 521 D HA -0.203 4.449 4.640 0.019 0.000 0.241 521 D C 0.510 176.887 176.300 0.127 0.000 1.310 521 D CA 0.746 54.867 54.000 0.202 0.000 0.884 521 D CB 0.263 41.091 40.800 0.048 0.000 1.167 521 D HN 0.699 nan 8.370 nan 0.000 0.598 522 N N 1.891 120.659 118.700 0.113 0.000 2.509 522 N HA 0.197 4.948 4.740 0.019 0.000 0.239 522 N C 1.608 177.151 175.510 0.055 0.000 1.215 522 N CA 0.287 53.385 53.050 0.079 0.000 0.882 522 N CB -1.359 37.165 38.487 0.061 0.000 1.189 522 N HN 0.643 nan 8.380 nan 0.000 0.490 523 Y N -1.882 118.446 120.300 0.048 0.000 1.356 523 Y HA -0.388 4.173 4.550 0.019 0.000 0.096 523 Y C 3.047 178.961 175.900 0.022 0.000 0.645 523 Y CA 2.666 60.783 58.100 0.027 0.000 0.390 523 Y CB -1.332 37.140 38.460 0.020 0.000 0.554 523 Y HN 0.845 nan 8.280 nan 0.000 0.778 524 C N -1.805 117.507 119.300 0.020 0.000 2.492 524 C HA 0.444 4.916 4.460 0.019 0.000 0.279 524 C C 2.500 177.501 174.990 0.018 0.000 1.335 524 C CA 3.397 62.425 59.018 0.016 0.000 1.734 524 C CB -1.484 26.264 27.740 0.013 0.000 2.027 524 C HN 1.568 nan 8.230 nan 0.000 0.496 525 H N -1.519 117.564 119.070 0.022 0.000 2.258 525 H HA 0.314 4.881 4.556 0.019 0.000 0.250 525 H C -1.419 173.925 175.328 0.026 0.000 0.908 525 H CA 0.167 56.232 56.048 0.028 0.000 1.096 525 H CB -2.010 27.776 29.762 0.041 0.000 1.422 525 H HN 0.336 nan 8.280 nan 0.000 0.469 526 P HA -0.105 nan 4.420 nan 0.000 0.191 526 P C -0.721 176.585 177.300 0.010 0.000 0.906 526 P CA 0.907 64.016 63.100 0.015 0.000 1.011 526 P CB -0.991 30.713 31.700 0.007 0.000 1.090 527 I N 1.945 122.525 120.570 0.016 0.000 2.347 527 I HA 0.402 4.584 4.170 0.019 0.000 0.283 527 I C 0.812 176.924 176.117 -0.007 0.000 1.058 527 I CA -0.621 60.685 61.300 0.010 0.000 1.202 527 I CB 1.020 39.040 38.000 0.033 0.000 1.386 527 I HN 0.189 nan 8.210 nan 0.000 0.475 528 A N 6.304 129.104 122.820 -0.033 0.000 2.304 528 A HA 0.737 5.068 4.320 0.019 0.000 0.301 528 A C -0.694 176.819 177.584 -0.119 0.000 1.132 528 A CA -0.533 51.474 52.037 -0.050 0.000 0.819 528 A CB 1.119 20.086 19.000 -0.055 0.000 1.094 528 A HN 0.687 nan 8.150 nan 0.000 0.492 529 L N 3.381 124.543 121.223 -0.101 0.000 2.289 529 L HA 0.639 4.991 4.340 0.019 0.000 0.285 529 L C -2.261 174.403 176.870 -0.343 0.000 1.049 529 L CA -1.360 53.327 54.840 -0.256 0.000 0.804 529 L CB 0.891 42.907 42.059 -0.072 0.000 1.195 529 L HN 0.463 nan 8.230 nan 0.000 0.428 545 A N 1.117 123.929 122.820 -0.012 0.000 3.538 545 A HA 0.560 4.892 4.320 0.019 0.000 0.174 545 A C 0.014 177.630 177.584 0.054 0.000 1.733 545 A CA -0.127 51.919 52.037 0.015 0.000 0.888 545 A CB 0.236 19.247 19.000 0.018 0.000 1.804 545 A HN 0.197 nan 8.150 nan 0.000 0.626 546 E N -0.757 119.479 120.200 0.060 0.000 2.620 546 E HA 0.543 4.905 4.350 0.019 0.000 0.255 546 E C -0.411 176.244 176.600 0.092 0.000 1.346 546 E CA -0.025 56.409 56.400 0.056 0.000 1.013 546 E CB 0.472 30.195 29.700 0.038 0.000 1.131 546 E HN 0.511 nan 8.360 nan 0.000 0.608 547 M N 1.121 120.739 119.600 0.030 0.000 2.333 547 M HA 0.362 4.854 4.480 0.019 0.000 0.286 547 M C -2.615 173.646 176.300 -0.065 0.000 1.113 547 M CA -1.786 53.492 55.300 -0.036 0.000 0.959 547 M CB 1.932 34.393 32.600 -0.232 0.000 1.776 547 M HN 0.328 nan 8.290 nan 0.000 0.492 548 P HA 0.231 nan 4.420 nan 0.000 0.268 548 P C -0.306 176.946 177.300 -0.080 0.000 1.205 548 P CA 0.092 63.166 63.100 -0.042 0.000 0.771 548 P CB 0.545 32.238 31.700 -0.011 0.000 0.858 549 N N 1.519 120.185 118.700 -0.056 0.000 2.037 549 N HA -0.266 4.486 4.740 0.019 0.000 0.196 549 N C 1.604 177.074 175.510 -0.066 0.000 1.034 549 N CA 1.614 54.630 53.050 -0.057 0.000 0.861 549 N CB -0.324 38.141 38.487 -0.036 0.000 1.039 549 N HN 0.459 nan 8.380 nan 0.000 0.427 550 Q N 0.219 119.988 119.800 -0.053 0.000 2.170 550 Q HA 0.024 4.375 4.340 0.019 0.000 0.203 550 Q C 1.805 177.763 176.000 -0.070 0.000 0.976 550 Q CA 1.224 56.998 55.803 -0.048 0.000 0.858 550 Q CB -0.206 28.515 28.738 -0.028 0.000 0.907 550 Q HN 0.470 nan 8.270 nan 0.000 0.433 551 L N -0.582 120.580 121.223 -0.102 0.000 2.072 551 L HA -0.064 4.288 4.340 0.019 0.000 0.205 551 L C 2.606 179.325 176.870 -0.251 0.000 1.079 551 L CA 1.426 56.168 54.840 -0.164 0.000 0.752 551 L CB -0.464 41.463 42.059 -0.219 0.000 0.906 551 L HN 0.224 nan 8.230 nan 0.000 0.436 552 R N 0.805 121.151 120.500 -0.258 0.000 2.096 552 R HA -0.192 4.160 4.340 0.019 0.000 0.235 552 R C 2.190 178.397 176.300 -0.155 0.000 1.127 552 R CA 1.463 57.421 56.100 -0.236 0.000 0.968 552 R CB 0.063 30.253 30.300 -0.183 0.000 0.861 552 R HN 0.051 nan 8.270 nan 0.000 0.440 553 K N 0.144 120.478 120.400 -0.110 0.000 2.211 553 K HA -0.076 4.256 4.320 0.019 0.000 0.203 553 K C 2.025 178.584 176.600 -0.069 0.000 1.050 553 K CA 1.214 57.456 56.287 -0.076 0.000 0.945 553 K CB 0.057 32.524 32.500 -0.054 0.000 0.732 553 K HN 0.271 nan 8.250 nan 0.000 0.451 554 Q N -0.405 119.350 119.800 -0.076 0.000 2.049 554 Q HA -0.058 4.293 4.340 0.019 0.000 0.198 554 Q C 1.850 177.815 176.000 -0.058 0.000 0.971 554 Q CA 0.917 56.689 55.803 -0.052 0.000 0.833 554 Q CB -0.021 28.695 28.738 -0.036 0.000 0.896 554 Q HN 0.149 nan 8.270 nan 0.000 0.434 555 L N 1.204 122.369 121.223 -0.097 0.000 2.017 555 L HA -0.206 4.146 4.340 0.019 0.000 0.208 555 L C 1.859 178.661 176.870 -0.113 0.000 1.073 555 L CA 1.864 56.642 54.840 -0.104 0.000 0.745 555 L CB -0.261 41.692 42.059 -0.176 0.000 0.894 555 L HN 0.193 nan 8.230 nan 0.000 0.432 556 E N -0.828 119.295 120.200 -0.128 0.000 2.085 556 E HA -0.238 4.123 4.350 0.019 0.000 0.194 556 E C 2.096 178.657 176.600 -0.066 0.000 0.994 556 E CA 1.158 57.490 56.400 -0.114 0.000 0.801 556 E CB -0.287 29.358 29.700 -0.091 0.000 0.743 556 E HN 0.635 nan 8.360 nan 0.000 0.453 557 A N 0.483 123.274 122.820 -0.050 0.000 2.066 557 A HA -0.098 4.233 4.320 0.019 0.000 0.218 557 A C 2.023 179.595 177.584 -0.020 0.000 1.157 557 A CA 0.756 52.776 52.037 -0.029 0.000 0.670 557 A CB -0.287 18.698 19.000 -0.025 0.000 0.804 557 A HN 0.126 nan 8.150 nan 0.000 0.453 558 I N -0.599 119.958 120.570 -0.023 0.000 2.235 558 I HA -0.158 4.024 4.170 0.019 0.000 0.241 558 I C 2.207 178.324 176.117 -0.001 0.000 1.085 558 I CA 1.001 62.297 61.300 -0.006 0.000 1.378 558 I CB -0.239 37.761 38.000 0.001 0.000 1.076 558 I HN 0.245 nan 8.210 nan 0.000 0.415 559 I N 0.983 121.540 120.570 -0.021 0.000 2.208 559 I HA -0.259 3.923 4.170 0.019 0.000 0.245 559 I C 1.838 177.966 176.117 0.017 0.000 1.097 559 I CA 1.206 62.503 61.300 -0.006 0.000 1.363 559 I CB -0.369 37.592 38.000 -0.065 0.000 1.051 559 I HN 0.167 nan 8.210 nan 0.000 0.413 560 A N 0.228 123.049 122.820 0.002 0.000 3.105 560 A HA 0.290 4.622 4.320 0.019 0.000 0.272 560 A C 0.379 177.966 177.584 0.005 0.000 1.466 560 A CA 0.127 52.169 52.037 0.008 0.000 1.101 560 A CB -0.488 18.512 19.000 -0.000 0.000 1.065 560 A HN 0.203 nan 8.150 nan 0.000 0.643 561 T N 0.904 115.465 114.554 0.013 0.000 2.912 561 T HA 0.338 4.699 4.350 0.019 0.000 0.288 561 T C -0.273 174.437 174.700 0.018 0.000 1.030 561 T CA -0.664 61.442 62.100 0.011 0.000 1.020 561 T CB 0.973 69.847 68.868 0.011 0.000 1.056 561 T HN 0.657 nan 8.240 nan 0.000 0.480 562 D N 2.986 123.391 120.400 0.009 0.000 2.378 562 D HA 0.046 4.698 4.640 0.019 0.000 0.238 562 D C -1.864 174.453 176.300 0.029 0.000 1.180 562 D CA -1.210 52.796 54.000 0.010 0.000 0.895 562 D CB 0.987 41.782 40.800 -0.009 0.000 1.192 562 D HN 0.158 nan 8.370 nan 0.000 0.438 563 P HA -0.047 nan 4.420 nan 0.000 0.221 563 P C 1.347 178.678 177.300 0.053 0.000 1.145 563 P CA 0.835 63.970 63.100 0.058 0.000 0.795 563 P CB 0.140 31.877 31.700 0.062 0.000 0.775 564 L N -2.181 119.065 121.223 0.038 0.000 2.567 564 L HA 0.099 4.451 4.340 0.019 0.000 0.225 564 L C 0.872 177.758 176.870 0.027 0.000 1.119 564 L CA -0.151 54.709 54.840 0.035 0.000 0.871 564 L CB -0.586 41.495 42.059 0.037 0.000 1.036 564 L HN -0.057 nan 8.230 nan 0.000 0.459 565 N N 1.494 120.208 118.700 0.024 0.000 2.452 565 N HA 0.115 4.867 4.740 0.019 0.000 0.266 565 N C -2.375 173.151 175.510 0.025 0.000 1.175 565 N CA -1.092 51.970 53.050 0.019 0.000 0.945 565 N CB 0.759 39.255 38.487 0.014 0.000 1.063 565 N HN -0.120 nan 8.380 nan 0.000 0.472 566 P HA 0.163 nan 4.420 nan 0.000 0.275 566 P C -0.808 176.507 177.300 0.025 0.000 1.228 566 P CA -0.152 62.962 63.100 0.023 0.000 0.786 566 P CB 0.694 32.406 31.700 0.020 0.000 0.927 567 L N 1.183 122.423 121.223 0.028 0.000 2.307 567 L HA 0.407 4.758 4.340 0.019 0.000 0.282 567 L C 1.016 177.901 176.870 0.024 0.000 1.051 567 L CA -0.284 54.574 54.840 0.030 0.000 0.804 567 L CB 1.387 43.470 42.059 0.041 0.000 1.197 567 L HN 0.320 nan 8.230 nan 0.000 0.431 568 T N 1.146 115.713 114.554 0.022 0.000 2.918 568 T HA 0.349 4.710 4.350 0.019 0.000 0.283 568 T C 1.222 175.933 174.700 0.018 0.000 1.001 568 T CA 0.200 62.311 62.100 0.018 0.000 1.041 568 T CB 1.640 70.517 68.868 0.016 0.000 1.028 568 T HN 0.724 nan 8.240 nan 0.000 0.511 569 A N 2.126 124.953 122.820 0.012 0.000 1.958 569 A HA -0.132 4.200 4.320 0.019 0.000 0.221 569 A C 2.185 179.778 177.584 0.015 0.000 1.178 569 A CA 1.844 53.885 52.037 0.007 0.000 0.642 569 A CB -0.633 18.367 19.000 -0.001 0.000 0.816 569 A HN 0.877 nan 8.150 nan 0.000 0.453 570 E N 0.291 120.502 120.200 0.018 0.000 2.031 570 E HA -0.199 4.162 4.350 0.019 0.000 0.193 570 E C 1.486 178.112 176.600 0.043 0.000 0.994 570 E CA 1.531 57.946 56.400 0.026 0.000 0.800 570 E CB -0.328 29.385 29.700 0.021 0.000 0.752 570 E HN 0.620 nan 8.360 nan 0.000 0.447 571 D N 0.669 121.094 120.400 0.040 0.000 2.104 571 D HA -0.169 4.483 4.640 0.019 0.000 0.194 571 D C 1.945 178.285 176.300 0.067 0.000 0.994 571 D CA 1.083 55.113 54.000 0.050 0.000 0.830 571 D CB -0.163 40.660 40.800 0.038 0.000 0.959 571 D HN 0.235 nan 8.370 nan 0.000 0.452 572 K N 0.720 121.155 120.400 0.057 0.000 2.057 572 K HA -0.104 4.228 4.320 0.019 0.000 0.207 572 K C 2.143 178.805 176.600 0.103 0.000 1.049 572 K CA 0.778 57.105 56.287 0.066 0.000 0.931 572 K CB -0.080 32.438 32.500 0.032 0.000 0.714 572 K HN 0.228 nan 8.250 nan 0.000 0.440 573 E N 1.049 121.300 120.200 0.084 0.000 2.150 573 E HA -0.130 4.231 4.350 0.019 0.000 0.193 573 E C 2.072 178.761 176.600 0.148 0.000 0.985 573 E CA 0.511 56.977 56.400 0.110 0.000 0.814 573 E CB 0.017 29.747 29.700 0.051 0.000 0.752 573 E HN 0.213 nan 8.360 nan 0.000 0.466 574 L N 0.440 121.751 121.223 0.146 0.000 1.988 574 L HA -0.203 4.149 4.340 0.019 0.000 0.207 574 L C 2.272 179.305 176.870 0.272 0.000 1.071 574 L CA 0.681 55.661 54.840 0.233 0.000 0.744 574 L CB -0.164 42.008 42.059 0.189 0.000 0.893 574 L HN 0.194 nan 8.230 nan 0.000 0.433 575 L N -0.348 120.978 121.223 0.172 0.000 2.021 575 L HA -0.335 4.017 4.340 0.019 0.000 0.215 575 L C 2.178 179.083 176.870 0.059 0.000 1.074 575 L CA 2.061 56.965 54.840 0.107 0.000 0.760 575 L CB -1.335 40.769 42.059 0.074 0.000 0.889 575 L HN 0.556 nan 8.230 nan 0.000 0.433 576 W N -0.520 120.740 121.300 -0.066 0.000 2.381 576 W HA -0.222 4.444 4.660 0.010 0.000 0.301 576 W C 2.627 179.055 176.519 -0.152 0.000 1.205 576 W CA 1.719 58.984 57.345 -0.134 0.000 1.285 576 W CB -0.506 28.878 29.460 -0.126 0.000 1.133 576 W HN 0.397 nan 8.180 nan 0.000 0.521 577 H N -0.274 118.612 119.070 -0.306 0.000 2.321 577 H HA -0.179 4.396 4.556 0.031 0.000 0.300 577 H C 0.597 175.518 175.328 -0.679 0.000 1.087 577 H CA 1.812 57.533 56.048 -0.544 0.000 1.319 577 H CB -0.897 28.512 29.762 -0.589 0.000 1.379 577 H HN 0.012 nan 8.280 nan 0.000 0.501 578 F N 2.130 121.978 119.950 -0.171 0.000 2.949 578 F HA 0.161 4.677 4.527 -0.018 0.000 0.291 578 F C 2.007 177.654 175.800 -0.254 0.000 1.214 578 F CA -0.396 57.498 58.000 -0.178 0.000 1.381 578 F CB 0.006 38.972 39.000 -0.056 0.000 1.066 578 F HN 0.191 nan 8.300 nan 0.000 0.520 579 R N -0.915 119.357 120.500 -0.380 0.000 2.092 579 R HA -0.194 4.158 4.340 0.019 0.000 0.231 579 R C 1.024 177.037 176.300 -0.478 0.000 1.119 579 R CA 1.646 57.423 56.100 -0.537 0.000 0.970 579 R CB -0.976 28.761 30.300 -0.940 0.000 0.864 579 R HN 0.332 nan 8.270 nan 0.000 0.440 580 Y N 0.784 120.946 120.300 -0.230 0.000 2.509 580 Y HA -0.053 4.507 4.550 0.017 0.000 0.293 580 Y C 2.143 178.017 175.900 -0.043 0.000 1.133 580 Y CA 0.970 58.989 58.100 -0.136 0.000 1.283 580 Y CB 0.084 38.465 38.460 -0.132 0.000 1.001 580 Y HN 0.181 nan 8.280 nan 0.000 0.555 581 E N -0.553 119.704 120.200 0.095 0.000 2.276 581 E HA -0.034 4.328 4.350 0.019 0.000 0.193 581 E C 1.993 178.666 176.600 0.122 0.000 0.983 581 E CA 0.812 57.282 56.400 0.117 0.000 0.861 581 E CB 0.021 29.783 29.700 0.103 0.000 0.817 581 E HN 0.173 nan 8.360 nan 0.000 0.485 582 S N 0.246 115.959 115.700 0.021 0.000 2.436 582 S HA -0.048 4.434 4.470 0.019 0.000 0.228 582 S C 1.644 176.283 174.600 0.064 0.000 1.014 582 S CA 0.294 58.491 58.200 -0.005 0.000 0.950 582 S CB -0.074 63.046 63.200 -0.134 0.000 0.784 582 S HN 0.167 nan 8.310 nan 0.000 0.504 583 L N 1.823 123.037 121.223 -0.014 0.000 2.201 583 L HA 0.063 4.415 4.340 0.019 0.000 0.212 583 L C 1.768 178.837 176.870 0.331 0.000 1.105 583 L CA 1.523 56.384 54.840 0.034 0.000 0.775 583 L CB -0.371 41.653 42.059 -0.058 0.000 0.913 583 L HN 0.124 nan 8.230 nan 0.000 0.440 584 K N -1.380 119.179 120.400 0.265 0.000 2.504 584 K HA 0.009 4.340 4.320 0.019 0.000 0.195 584 K C -0.100 176.487 176.600 -0.021 0.000 1.036 584 K CA 0.472 56.842 56.287 0.138 0.000 0.984 584 K CB -0.076 32.472 32.500 0.080 0.000 0.788 584 K HN 0.392 nan 8.250 nan 0.000 0.488 585 H N 0.079 119.278 119.070 0.216 0.000 2.697 585 H HA 0.121 4.693 4.556 0.027 0.000 0.270 585 H C -2.173 173.317 175.328 0.269 0.000 1.188 585 H CA -2.026 54.129 56.048 0.179 0.000 1.322 585 H CB 1.430 31.264 29.762 0.120 0.000 1.405 585 H HN -0.073 nan 8.280 nan 0.000 0.502 586 P HA -0.208 nan 4.420 nan 0.000 0.217 586 P C 1.751 179.155 177.300 0.173 0.000 1.148 586 P CA 1.289 64.369 63.100 -0.033 0.000 0.828 586 P CB 0.424 32.056 31.700 -0.112 0.000 0.783 587 K N -0.486 120.018 120.400 0.173 0.000 2.218 587 K HA -0.164 4.168 4.320 0.019 0.000 0.205 587 K C 1.878 178.604 176.600 0.210 0.000 1.046 587 K CA 1.421 57.806 56.287 0.164 0.000 0.933 587 K CB -0.438 32.137 32.500 0.125 0.000 0.728 587 K HN 0.040 nan 8.250 nan 0.000 0.454 588 A N -0.002 122.988 122.820 0.283 0.000 1.970 588 A HA -0.106 4.225 4.320 0.019 0.000 0.216 588 A C 1.528 179.254 177.584 0.237 0.000 1.170 588 A CA 0.733 52.903 52.037 0.222 0.000 0.645 588 A CB -0.546 18.558 19.000 0.173 0.000 0.816 588 A HN 0.277 nan 8.150 nan 0.000 0.447 589 Y N 0.467 120.787 120.300 0.033 0.000 2.029 589 Y HA -0.213 4.349 4.550 0.020 0.000 0.269 589 Y C -0.138 175.805 175.900 0.071 0.000 1.201 589 Y CA 2.371 60.451 58.100 -0.033 0.000 1.115 589 Y CB -2.143 36.262 38.460 -0.091 0.000 0.945 589 Y HN 0.294 nan 8.280 nan 0.000 0.497 590 P HA -0.159 nan 4.420 nan 0.000 0.216 590 P C 1.228 178.772 177.300 0.406 0.000 1.150 590 P CA 2.272 65.545 63.100 0.288 0.000 0.837 590 P CB -0.041 31.800 31.700 0.235 0.000 0.786 591 K N -1.054 119.485 120.400 0.231 0.000 2.062 591 K HA -0.064 4.268 4.320 0.019 0.000 0.205 591 K C 1.975 178.643 176.600 0.113 0.000 1.051 591 K CA 0.770 57.157 56.287 0.167 0.000 0.941 591 K CB -0.847 31.716 32.500 0.106 0.000 0.719 591 K HN 0.039 nan 8.250 nan 0.000 0.440 592 L N 0.570 121.786 121.223 -0.011 0.000 2.017 592 L HA -0.095 4.257 4.340 0.019 0.000 0.208 592 L C 1.708 178.472 176.870 -0.177 0.000 1.073 592 L CA 1.738 56.457 54.840 -0.202 0.000 0.745 592 L CB -0.499 41.250 42.059 -0.515 0.000 0.894 592 L HN 0.072 nan 8.230 nan 0.000 0.432 593 F N -0.573 119.508 119.950 0.219 0.000 2.407 593 F HA -0.060 4.482 4.527 0.026 0.000 0.299 593 F C 2.192 178.313 175.800 0.535 0.000 1.097 593 F CA 0.928 59.172 58.000 0.406 0.000 1.422 593 F CB -0.374 38.882 39.000 0.428 0.000 1.067 593 F HN 0.066 nan 8.300 nan 0.000 0.539 594 S N -1.301 114.703 115.700 0.506 0.000 2.593 594 S HA -0.020 4.462 4.470 0.019 0.000 0.217 594 S C 1.726 176.429 174.600 0.171 0.000 0.966 594 S CA 0.409 58.787 58.200 0.297 0.000 0.914 594 S CB -0.055 63.242 63.200 0.161 0.000 0.776 594 S HN 0.176 nan 8.310 nan 0.000 0.523 595 S N 0.910 116.687 115.700 0.128 0.000 2.517 595 S HA 0.171 4.652 4.470 0.019 0.000 0.214 595 S C 0.657 175.160 174.600 -0.161 0.000 0.991 595 S CA -0.133 58.084 58.200 0.029 0.000 0.906 595 S CB 0.199 63.460 63.200 0.101 0.000 0.789 595 S HN 0.245 nan 8.310 nan 0.000 0.513 596 V N 3.220 122.995 119.914 -0.230 0.000 2.572 596 V HA 0.110 4.242 4.120 0.019 0.000 0.291 596 V C 0.389 176.013 176.094 -0.783 0.000 1.039 596 V CA -0.023 61.827 62.300 -0.749 0.000 1.055 596 V CB 0.572 31.818 31.823 -0.962 0.000 0.969 596 V HN 0.218 nan 8.190 nan 0.000 0.482 597 K N 4.502 124.421 120.400 -0.803 0.000 2.219 597 K HA 0.130 4.462 4.320 0.019 0.000 0.280 597 K C 0.132 176.430 176.600 -0.504 0.000 1.104 597 K CA -0.009 55.980 56.287 -0.498 0.000 0.925 597 K CB 0.491 32.747 32.500 -0.407 0.000 1.261 597 K HN 0.707 nan 8.250 nan 0.000 0.445 598 W N 1.274 122.459 121.300 -0.192 0.000 2.425 598 W HA -0.043 4.630 4.660 0.022 0.000 0.277 598 W C 1.886 178.237 176.519 -0.280 0.000 1.231 598 W CA 0.296 57.479 57.345 -0.269 0.000 1.248 598 W CB 0.074 29.285 29.460 -0.414 0.000 1.117 598 W HN 0.665 nan 8.180 nan 0.000 0.568 599 G N 0.053 108.824 108.800 -0.049 0.000 3.234 599 G HA2 0.052 4.024 3.960 0.019 0.000 0.221 599 G HA3 0.052 4.024 3.960 0.019 0.000 0.221 599 G C 0.034 174.876 174.900 -0.096 0.000 1.229 599 G CA -0.147 44.910 45.100 -0.071 0.000 0.909 599 G HN 0.168 nan 8.290 nan 0.000 0.510 600 Q N -0.851 118.864 119.800 -0.141 0.000 2.294 600 Q HA 0.223 4.574 4.340 0.019 0.000 0.264 600 Q C 0.894 176.783 176.000 -0.186 0.000 0.992 600 Q CA -0.593 55.112 55.803 -0.163 0.000 0.747 600 Q CB 1.876 30.493 28.738 -0.202 0.000 1.262 600 Q HN 0.271 nan 8.270 nan 0.000 0.452 601 Q N 2.135 121.828 119.800 -0.178 0.000 2.096 601 Q HA -0.216 4.136 4.340 0.019 0.000 0.204 601 Q C 0.839 176.646 176.000 -0.322 0.000 0.982 601 Q CA 1.980 57.626 55.803 -0.262 0.000 0.850 601 Q CB 0.170 28.699 28.738 -0.349 0.000 0.901 601 Q HN 0.620 nan 8.270 nan 0.000 0.422 602 E N -0.080 119.964 120.200 -0.261 0.000 2.150 602 E HA -0.101 4.261 4.350 0.019 0.000 0.193 602 E C 1.961 178.472 176.600 -0.148 0.000 0.985 602 E CA 0.912 57.186 56.400 -0.210 0.000 0.814 602 E CB -0.002 29.609 29.700 -0.148 0.000 0.752 602 E HN 0.443 nan 8.360 nan 0.000 0.466 603 I N 0.829 121.287 120.570 -0.186 0.000 2.142 603 I HA -0.213 3.969 4.170 0.019 0.000 0.240 603 I C 2.517 178.506 176.117 -0.215 0.000 1.078 603 I CA 0.929 62.088 61.300 -0.236 0.000 1.343 603 I CB -1.056 36.668 38.000 -0.459 0.000 1.046 603 I HN -0.040 nan 8.210 nan 0.000 0.405 604 V N 1.447 121.208 119.914 -0.254 0.000 2.407 604 V HA -0.250 3.881 4.120 0.019 0.000 0.248 604 V C 2.808 178.856 176.094 -0.076 0.000 1.055 604 V CA 1.686 63.891 62.300 -0.157 0.000 1.049 604 V CB -1.219 30.573 31.823 -0.053 0.000 0.662 604 V HN 0.455 nan 8.190 nan 0.000 0.455 605 A N -0.305 122.415 122.820 -0.167 0.000 1.933 605 A HA -0.219 4.112 4.320 0.019 0.000 0.218 605 A C 2.323 179.939 177.584 0.054 0.000 1.175 605 A CA 1.861 53.814 52.037 -0.141 0.000 0.628 605 A CB -0.391 18.465 19.000 -0.241 0.000 0.814 605 A HN 0.539 nan 8.150 nan 0.000 0.444 606 K N -0.791 119.661 120.400 0.086 0.000 2.097 606 K HA -0.078 4.253 4.320 0.019 0.000 0.205 606 K C 2.003 178.733 176.600 0.217 0.000 1.050 606 K CA 1.664 58.049 56.287 0.163 0.000 0.938 606 K CB -0.328 32.320 32.500 0.246 0.000 0.718 606 K HN 0.503 nan 8.250 nan 0.000 0.442 607 T N 0.341 115.074 114.554 0.297 0.000 2.833 607 T HA -0.150 4.211 4.350 0.019 0.000 0.269 607 T C 1.591 176.532 174.700 0.401 0.000 1.054 607 T CA 1.228 63.543 62.100 0.359 0.000 1.135 607 T CB -0.309 68.743 68.868 0.307 0.000 0.869 607 T HN 0.292 nan 8.240 nan 0.000 0.466 608 Y N 1.391 121.777 120.300 0.144 0.000 2.263 608 Y HA -0.078 4.483 4.550 0.018 0.000 0.292 608 Y C 2.929 178.897 175.900 0.113 0.000 1.130 608 Y CA 0.457 58.639 58.100 0.136 0.000 1.179 608 Y CB -0.161 38.386 38.460 0.145 0.000 0.998 608 Y HN 0.220 nan 8.280 nan 0.000 0.532 609 Q N 0.165 120.117 119.800 0.252 0.000 2.084 609 Q HA -0.212 4.139 4.340 0.019 0.000 0.202 609 Q C 2.295 178.391 176.000 0.159 0.000 0.978 609 Q CA 1.380 57.291 55.803 0.180 0.000 0.844 609 Q CB -0.222 28.613 28.738 0.162 0.000 0.898 609 Q HN 0.513 nan 8.270 nan 0.000 0.426 610 L N 0.356 121.640 121.223 0.102 0.000 2.079 610 L HA -0.208 4.144 4.340 0.019 0.000 0.210 610 L C 2.028 178.930 176.870 0.054 0.000 1.081 610 L CA 1.147 55.977 54.840 -0.016 0.000 0.752 610 L CB -0.135 41.846 42.059 -0.130 0.000 0.896 610 L HN 0.332 nan 8.230 nan 0.000 0.433 611 L N -1.040 120.232 121.223 0.082 0.000 2.395 611 L HA -0.051 4.301 4.340 0.019 0.000 0.218 611 L C 2.438 179.344 176.870 0.060 0.000 1.130 611 L CA 0.510 55.374 54.840 0.040 0.000 0.826 611 L CB -0.367 41.639 42.059 -0.089 0.000 0.941 611 L HN 0.181 nan 8.230 nan 0.000 0.451 612 A N -0.452 122.421 122.820 0.088 0.000 2.169 612 A HA 0.011 4.343 4.320 0.019 0.000 0.212 612 A C 1.758 179.406 177.584 0.108 0.000 1.153 612 A CA 0.514 52.608 52.037 0.096 0.000 0.756 612 A CB -0.096 18.966 19.000 0.104 0.000 0.813 612 A HN 0.244 nan 8.150 nan 0.000 0.471 613 R N -0.711 119.866 120.500 0.127 0.000 2.586 613 R HA 0.220 4.571 4.340 0.019 0.000 0.336 613 R C 1.171 177.570 176.300 0.164 0.000 1.060 613 R CA -0.254 55.932 56.100 0.144 0.000 1.079 613 R CB -0.272 30.143 30.300 0.193 0.000 1.317 613 R HN 0.476 nan 8.270 nan 0.000 0.568 614 R N 1.803 122.409 120.500 0.176 0.000 2.170 614 R HA -0.172 4.180 4.340 0.019 0.000 0.242 614 R C 1.047 177.526 176.300 0.298 0.000 1.145 614 R CA 1.317 57.575 56.100 0.263 0.000 0.984 614 R CB 0.055 30.496 30.300 0.234 0.000 0.869 614 R HN 0.317 nan 8.270 nan 0.000 0.455 615 E N -0.699 119.621 120.200 0.200 0.000 2.549 615 E HA -0.371 3.990 4.350 0.019 0.000 0.249 615 E C 1.708 178.395 176.600 0.146 0.000 1.084 615 E CA 2.859 59.349 56.400 0.150 0.000 1.243 615 E CB -0.363 29.401 29.700 0.106 0.000 1.105 615 E HN 0.201 nan 8.360 nan 0.000 0.477 616 V N 0.685 120.702 119.914 0.170 0.000 2.282 616 V HA -0.286 3.845 4.120 0.019 0.000 0.249 616 V C 1.967 178.124 176.094 0.104 0.000 1.057 616 V CA 2.252 64.627 62.300 0.126 0.000 1.032 616 V CB -0.932 30.980 31.823 0.148 0.000 0.645 616 V HN 0.529 nan 8.190 nan 0.000 0.447 617 W N 1.527 122.820 121.300 -0.012 0.000 2.332 617 W HA -0.203 4.468 4.660 0.019 0.000 0.321 617 W C 2.241 178.709 176.519 -0.086 0.000 1.219 617 W CA 2.210 59.463 57.345 -0.153 0.000 1.277 617 W CB -0.490 28.886 29.460 -0.140 0.000 1.161 617 W HN 0.348 nan 8.180 nan 0.000 0.476 618 D N 0.210 120.679 120.400 0.114 0.000 2.123 618 D HA -0.242 4.410 4.640 0.019 0.000 0.196 618 D C 2.080 178.330 176.300 -0.083 0.000 0.992 618 D CA 1.824 55.831 54.000 0.013 0.000 0.833 618 D CB -0.535 40.339 40.800 0.123 0.000 0.954 618 D HN 0.400 nan 8.370 nan 0.000 0.455 619 Q N 0.720 120.490 119.800 -0.050 0.000 2.049 619 Q HA -0.058 4.293 4.340 0.019 0.000 0.198 619 Q C 0.905 176.832 176.000 -0.122 0.000 0.971 619 Q CA 0.574 56.340 55.803 -0.063 0.000 0.833 619 Q CB 0.035 28.757 28.738 -0.026 0.000 0.896 619 Q HN 0.198 nan 8.270 nan 0.000 0.434 620 S N 0.290 115.887 115.700 -0.172 0.000 2.554 620 S HA 0.082 4.564 4.470 0.019 0.000 0.290 620 S C 0.048 174.503 174.600 -0.242 0.000 1.309 620 S CA -0.247 57.825 58.200 -0.214 0.000 1.047 620 S CB 0.739 63.776 63.200 -0.271 0.000 0.828 620 S HN 0.311 nan 8.310 nan 0.000 0.509 621 A N 3.509 126.214 122.820 -0.191 0.000 2.484 621 A HA 0.405 4.737 4.320 0.019 0.000 0.268 621 A C 0.400 177.850 177.584 -0.223 0.000 1.114 621 A CA -0.605 51.331 52.037 -0.168 0.000 0.780 621 A CB -0.484 18.445 19.000 -0.118 0.000 1.061 621 A HN 1.427 nan 8.150 nan 0.000 0.505 622 L N 2.746 123.831 121.223 -0.232 0.000 2.678 622 L HA -0.011 4.341 4.340 0.019 0.000 0.285 622 L C -0.029 176.712 176.870 -0.214 0.000 1.233 622 L CA 1.008 55.689 54.840 -0.264 0.000 0.920 622 L CB 0.106 42.049 42.059 -0.193 0.000 1.176 622 L HN 0.672 nan 8.230 nan 0.000 0.495 623 D N 4.092 124.341 120.400 -0.251 0.000 2.440 623 D HA 0.170 4.822 4.640 0.019 0.000 0.239 623 D C 0.918 177.107 176.300 -0.184 0.000 1.084 623 D CA -0.446 53.447 54.000 -0.178 0.000 0.843 623 D CB 1.721 42.429 40.800 -0.154 0.000 1.097 623 D HN 0.512 nan 8.370 nan 0.000 0.531 624 V N 3.959 123.747 119.914 -0.210 0.000 2.295 624 V HA -0.161 3.971 4.120 0.019 0.000 0.246 624 V C 2.533 178.492 176.094 -0.226 0.000 1.049 624 V CA 2.225 64.332 62.300 -0.321 0.000 1.024 624 V CB -0.603 30.810 31.823 -0.682 0.000 0.648 624 V HN 0.737 nan 8.190 nan 0.000 0.447 625 G N -0.829 107.884 108.800 -0.145 0.000 2.462 625 G HA2 -0.228 3.744 3.960 0.019 0.000 0.220 625 G HA3 -0.228 3.744 3.960 0.019 0.000 0.220 625 G C 1.625 176.510 174.900 -0.024 0.000 1.121 625 G CA 0.943 46.006 45.100 -0.061 0.000 0.758 625 G HN 0.449 nan 8.290 nan 0.000 0.559 626 L N 0.051 121.259 121.223 -0.025 0.000 2.127 626 L HA -0.008 4.343 4.340 0.019 0.000 0.203 626 L C 3.038 179.957 176.870 0.082 0.000 1.080 626 L CA 1.413 56.279 54.840 0.043 0.000 0.768 626 L CB -0.330 41.746 42.059 0.028 0.000 0.924 626 L HN 0.201 nan 8.230 nan 0.000 0.444 627 T N 0.038 114.602 114.554 0.016 0.000 2.708 627 T HA -0.204 4.158 4.350 0.019 0.000 0.266 627 T C 1.931 176.624 174.700 -0.012 0.000 1.037 627 T CA 1.414 63.527 62.100 0.023 0.000 1.146 627 T CB -0.095 68.722 68.868 -0.086 0.000 0.865 627 T HN 0.224 nan 8.240 nan 0.000 0.435 628 M N 0.975 120.552 119.600 -0.040 0.000 2.229 628 M HA -0.073 4.418 4.480 0.019 0.000 0.264 628 M C 2.405 178.712 176.300 0.011 0.000 1.063 628 M CA 1.344 56.634 55.300 -0.017 0.000 1.114 628 M CB -0.794 31.789 32.600 -0.028 0.000 1.387 628 M HN 0.354 nan 8.290 nan 0.000 0.420 629 Q N 0.449 120.262 119.800 0.022 0.000 2.135 629 Q HA -0.100 4.251 4.340 0.019 0.000 0.204 629 Q C 1.955 177.978 176.000 0.039 0.000 0.981 629 Q CA 1.089 56.933 55.803 0.068 0.000 0.856 629 Q CB -0.132 28.659 28.738 0.087 0.000 0.902 629 Q HN 0.533 nan 8.270 nan 0.000 0.425 630 L N 0.146 121.277 121.223 -0.153 0.000 2.552 630 L HA -0.048 4.304 4.340 0.019 0.000 0.227 630 L C 1.566 178.363 176.870 -0.120 0.000 1.146 630 L CA 0.329 54.905 54.840 -0.440 0.000 0.858 630 L CB 0.019 41.822 42.059 -0.426 0.000 0.969 630 L HN 0.240 nan 8.230 nan 0.000 0.451 631 L N -0.628 120.598 121.223 0.006 0.000 2.640 631 L HA 0.082 4.433 4.340 0.019 0.000 0.230 631 L C 0.721 177.628 176.870 0.062 0.000 1.123 631 L CA -0.426 54.450 54.840 0.061 0.000 0.900 631 L CB -0.192 41.908 42.059 0.069 0.000 1.146 631 L HN 0.283 nan 8.230 nan 0.000 0.484 632 D N -0.584 119.799 120.400 -0.028 0.000 2.414 632 D HA -0.069 4.582 4.640 0.019 0.000 0.259 632 D C 1.529 177.504 176.300 -0.542 0.000 1.269 632 D CA -0.162 53.569 54.000 -0.449 0.000 1.028 632 D CB 0.402 41.001 40.800 -0.336 0.000 1.093 632 D HN 0.172 nan 8.370 nan 0.000 0.545 633 C N -1.210 117.526 119.300 -0.939 0.000 2.419 633 C HA -0.027 4.445 4.460 0.019 0.000 0.283 633 C C 1.711 176.487 174.990 -0.357 0.000 1.373 633 C CA 0.376 59.073 59.018 -0.535 0.000 1.781 633 C CB -1.889 25.587 27.740 -0.441 0.000 1.886 633 C HN 0.585 nan 8.230 nan 0.000 0.520 634 N N -0.463 117.983 118.700 -0.424 0.000 2.494 634 N HA 0.137 4.889 4.740 0.019 0.000 0.182 634 N C -0.484 174.434 175.510 -0.987 0.000 1.076 634 N CA 0.548 53.207 53.050 -0.652 0.000 0.908 634 N CB -0.044 37.997 38.487 -0.744 0.000 0.967 634 N HN 0.538 nan 8.380 nan 0.000 0.449 635 F N -0.686 119.139 119.950 -0.208 0.000 2.426 635 F HA 0.362 4.899 4.527 0.017 0.000 0.348 635 F C 0.899 176.502 175.800 -0.327 0.000 1.124 635 F CA -0.731 57.119 58.000 -0.249 0.000 1.008 635 F CB 2.012 40.911 39.000 -0.169 0.000 1.139 635 F HN -0.222 nan 8.300 nan 0.000 0.452 636 S N 0.712 116.159 115.700 -0.422 0.000 2.666 636 S HA 0.044 4.526 4.470 0.019 0.000 0.239 636 S C -0.358 173.992 174.600 -0.416 0.000 1.031 636 S CA -0.254 57.626 58.200 -0.535 0.000 1.015 636 S CB -0.186 62.420 63.200 -0.991 0.000 0.981 636 S HN 0.729 nan 8.310 nan 0.000 0.547 637 D N 1.420 121.607 120.400 -0.356 0.000 2.277 637 D HA 0.222 4.873 4.640 0.019 0.000 0.249 637 D C 1.039 177.294 176.300 -0.075 0.000 1.134 637 D CA 0.017 53.908 54.000 -0.181 0.000 0.863 637 D CB 0.941 41.557 40.800 -0.307 0.000 1.143 637 D HN 0.142 nan 8.370 nan 0.000 0.458 638 E N 2.101 122.316 120.200 0.024 0.000 2.070 638 E HA -0.224 4.138 4.350 0.019 0.000 0.197 638 E C 1.256 177.846 176.600 -0.016 0.000 1.004 638 E CA 0.951 57.376 56.400 0.041 0.000 0.805 638 E CB 0.069 29.828 29.700 0.099 0.000 0.744 638 E HN 0.548 nan 8.360 nan 0.000 0.451 639 N N 0.335 119.007 118.700 -0.048 0.000 2.244 639 N HA -0.116 4.635 4.740 0.019 0.000 0.183 639 N C 1.952 177.307 175.510 -0.258 0.000 1.016 639 N CA 0.954 53.904 53.050 -0.166 0.000 0.866 639 N CB 0.057 38.333 38.487 -0.352 0.000 0.980 639 N HN 0.033 nan 8.380 nan 0.000 0.430 640 V N 1.728 121.459 119.914 -0.304 0.000 2.379 640 V HA -0.118 4.014 4.120 0.019 0.000 0.245 640 V C 2.361 178.251 176.094 -0.339 0.000 1.044 640 V CA 1.306 63.315 62.300 -0.485 0.000 1.036 640 V CB -0.341 31.181 31.823 -0.500 0.000 0.664 640 V HN 0.216 nan 8.190 nan 0.000 0.453 641 R N 0.272 120.656 120.500 -0.194 0.000 2.075 641 R HA -0.077 4.275 4.340 0.019 0.000 0.232 641 R C 2.437 178.691 176.300 -0.078 0.000 1.126 641 R CA 1.388 57.420 56.100 -0.112 0.000 0.963 641 R CB -0.616 29.659 30.300 -0.041 0.000 0.858 641 R HN 0.506 nan 8.270 nan 0.000 0.435 642 A N 1.958 124.741 122.820 -0.062 0.000 1.978 642 A HA -0.165 4.167 4.320 0.019 0.000 0.220 642 A C 2.177 179.757 177.584 -0.007 0.000 1.170 642 A CA 1.541 53.565 52.037 -0.023 0.000 0.636 642 A CB -0.752 18.242 19.000 -0.010 0.000 0.810 642 A HN 0.535 nan 8.150 nan 0.000 0.448 643 I N -3.519 117.027 120.570 -0.040 0.000 2.676 643 I HA 0.038 4.220 4.170 0.019 0.000 0.259 643 I C 2.135 178.407 176.117 0.258 0.000 1.194 643 I CA 1.298 62.650 61.300 0.087 0.000 1.473 643 I CB -0.220 37.709 38.000 -0.117 0.000 1.096 643 I HN 0.162 nan 8.210 nan 0.000 0.443 644 A N 1.300 124.180 122.820 0.101 0.000 1.935 644 A HA 0.065 4.397 4.320 0.019 0.000 0.214 644 A C 2.289 179.860 177.584 -0.022 0.000 1.178 644 A CA 1.295 53.401 52.037 0.115 0.000 0.640 644 A CB -0.789 18.219 19.000 0.014 0.000 0.825 644 A HN 0.316 nan 8.150 nan 0.000 0.447 645 V N 0.011 119.884 119.914 -0.068 0.000 2.515 645 V HA -0.283 3.849 4.120 0.019 0.000 0.250 645 V C 2.559 178.559 176.094 -0.156 0.000 1.058 645 V CA 2.101 64.294 62.300 -0.178 0.000 1.064 645 V CB -0.876 30.891 31.823 -0.093 0.000 0.675 645 V HN 0.635 nan 8.190 nan 0.000 0.461 646 Q N -0.317 119.469 119.800 -0.024 0.000 2.124 646 Q HA -0.237 4.114 4.340 0.019 0.000 0.202 646 Q C 2.314 178.296 176.000 -0.029 0.000 0.977 646 Q CA 1.455 57.267 55.803 0.015 0.000 0.850 646 Q CB -0.021 28.770 28.738 0.089 0.000 0.901 646 Q HN 0.372 nan 8.270 nan 0.000 0.429 647 K N 0.304 120.675 120.400 -0.048 0.000 2.148 647 K HA -0.053 4.278 4.320 0.019 0.000 0.204 647 K C 1.691 178.199 176.600 -0.153 0.000 1.050 647 K CA 0.878 57.082 56.287 -0.138 0.000 0.942 647 K CB -0.083 32.298 32.500 -0.198 0.000 0.724 647 K HN 0.184 nan 8.250 nan 0.000 0.446 648 L N 0.580 121.667 121.223 -0.226 0.000 2.217 648 L HA -0.090 4.261 4.340 0.019 0.000 0.211 648 L C 1.922 178.707 176.870 -0.142 0.000 1.107 648 L CA 0.756 55.404 54.840 -0.320 0.000 0.783 648 L CB -0.301 41.275 42.059 -0.806 0.000 0.919 648 L HN 0.139 nan 8.230 nan 0.000 0.442 649 E N 0.273 120.444 120.200 -0.049 0.000 2.118 649 E HA -0.205 4.157 4.350 0.019 0.000 0.195 649 E C 2.214 178.923 176.600 0.181 0.000 0.992 649 E CA 1.661 58.198 56.400 0.228 0.000 0.804 649 E CB -0.200 29.598 29.700 0.164 0.000 0.741 649 E HN 0.520 nan 8.360 nan 0.000 0.458 650 S N 0.138 115.884 115.700 0.076 0.000 2.660 650 S HA 0.033 4.514 4.470 0.019 0.000 0.223 650 S C 0.927 175.569 174.600 0.069 0.000 0.963 650 S CA -0.124 58.106 58.200 0.051 0.000 0.932 650 S CB -0.343 62.853 63.200 -0.006 0.000 0.775 650 S HN 0.048 nan 8.310 nan 0.000 0.531 651 L N 2.614 123.912 121.223 0.124 0.000 2.349 651 L HA 0.339 4.690 4.340 0.019 0.000 0.275 651 L C 0.760 177.724 176.870 0.157 0.000 1.115 651 L CA -0.635 54.293 54.840 0.148 0.000 0.820 651 L CB 0.998 43.189 42.059 0.219 0.000 1.135 651 L HN 0.501 nan 8.230 nan 0.000 0.445 652 E N 2.161 122.439 120.200 0.131 0.000 2.369 652 E HA 0.030 4.392 4.350 0.019 0.000 0.255 652 E C -0.281 176.410 176.600 0.151 0.000 1.172 652 E CA -0.728 55.745 56.400 0.121 0.000 0.932 652 E CB 0.890 30.648 29.700 0.097 0.000 1.040 652 E HN 0.506 nan 8.360 nan 0.000 0.454 653 D N 0.982 121.466 120.400 0.139 0.000 2.123 653 D HA -0.194 4.458 4.640 0.019 0.000 0.196 653 D C 1.298 177.704 176.300 0.177 0.000 0.992 653 D CA 1.547 55.631 54.000 0.141 0.000 0.833 653 D CB -0.317 40.554 40.800 0.118 0.000 0.954 653 D HN 0.592 nan 8.370 nan 0.000 0.455 654 D N 0.859 121.396 120.400 0.228 0.000 2.133 654 D HA -0.155 4.497 4.640 0.019 0.000 0.195 654 D C 1.430 177.898 176.300 0.281 0.000 0.997 654 D CA 1.106 55.290 54.000 0.307 0.000 0.840 654 D CB 0.012 40.985 40.800 0.289 0.000 0.947 654 D HN 0.059 nan 8.370 nan 0.000 0.452 655 D N -0.602 119.940 120.400 0.238 0.000 2.123 655 D HA -0.090 4.562 4.640 0.019 0.000 0.200 655 D C 2.345 178.830 176.300 0.309 0.000 0.976 655 D CA 0.546 54.703 54.000 0.263 0.000 0.831 655 D CB -0.224 40.728 40.800 0.254 0.000 0.974 655 D HN 0.166 nan 8.370 nan 0.000 0.469 656 V N 1.558 121.633 119.914 0.268 0.000 2.332 656 V HA -0.233 3.899 4.120 0.019 0.000 0.248 656 V C 2.698 178.909 176.094 0.195 0.000 1.055 656 V CA 1.208 63.669 62.300 0.269 0.000 1.038 656 V CB -0.573 31.373 31.823 0.205 0.000 0.651 656 V HN 0.182 nan 8.190 nan 0.000 0.450 657 L N -1.015 120.278 121.223 0.116 0.000 2.131 657 L HA -0.202 4.150 4.340 0.019 0.000 0.210 657 L C 2.501 179.321 176.870 -0.082 0.000 1.092 657 L CA 1.643 56.488 54.840 0.008 0.000 0.759 657 L CB -0.663 41.367 42.059 -0.050 0.000 0.903 657 L HN 0.397 nan 8.230 nan 0.000 0.435 658 H N -1.589 117.397 119.070 -0.140 0.000 2.357 658 H HA -0.143 4.424 4.556 0.020 0.000 0.301 658 H C 1.198 176.226 175.328 -0.500 0.000 1.082 658 H CA 1.931 57.731 56.048 -0.413 0.000 1.342 658 H CB 0.152 29.491 29.762 -0.706 0.000 1.389 658 H HN 0.301 nan 8.280 nan 0.000 0.511 659 Y N -1.350 119.046 120.300 0.160 0.000 2.467 659 Y HA 0.055 4.617 4.550 0.020 0.000 0.250 659 Y C 1.629 177.592 175.900 0.105 0.000 1.155 659 Y CA -0.473 57.691 58.100 0.105 0.000 1.249 659 Y CB 0.407 38.927 38.460 0.100 0.000 1.146 659 Y HN 0.123 nan 8.280 nan 0.000 0.524 660 L N 0.499 121.855 121.223 0.221 0.000 1.990 660 L HA -0.237 4.115 4.340 0.019 0.000 0.213 660 L C 2.221 179.226 176.870 0.225 0.000 1.072 660 L CA 1.711 56.711 54.840 0.265 0.000 0.755 660 L CB -0.929 41.302 42.059 0.288 0.000 0.889 660 L HN 0.330 nan 8.230 nan 0.000 0.432 661 L N -0.492 120.757 121.223 0.044 0.000 2.043 661 L HA -0.256 4.096 4.340 0.019 0.000 0.212 661 L C 2.427 179.180 176.870 -0.195 0.000 1.075 661 L CA 1.904 56.490 54.840 -0.423 0.000 0.752 661 L CB -0.760 40.824 42.059 -0.791 0.000 0.891 661 L HN 0.499 nan 8.230 nan 0.000 0.432 662 Q N -1.144 118.626 119.800 -0.051 0.000 2.269 662 Q HA -0.040 4.312 4.340 0.019 0.000 0.201 662 Q C 2.250 178.291 176.000 0.069 0.000 0.946 662 Q CA 1.021 56.829 55.803 0.007 0.000 0.877 662 Q CB 0.031 28.800 28.738 0.052 0.000 0.963 662 Q HN 0.531 nan 8.270 nan 0.000 0.472 663 L N -0.171 121.125 121.223 0.123 0.000 2.156 663 L HA -0.121 4.231 4.340 0.019 0.000 0.208 663 L C 2.277 179.230 176.870 0.138 0.000 1.095 663 L CA 0.525 55.457 54.840 0.153 0.000 0.770 663 L CB -0.272 41.922 42.059 0.225 0.000 0.914 663 L HN 0.022 nan 8.230 nan 0.000 0.439 664 V N -0.689 119.292 119.914 0.111 0.000 2.358 664 V HA -0.245 3.886 4.120 0.019 0.000 0.246 664 V C 2.532 178.647 176.094 0.034 0.000 1.047 664 V CA 1.428 63.781 62.300 0.088 0.000 1.035 664 V CB -0.445 31.404 31.823 0.044 0.000 0.658 664 V HN 0.457 nan 8.190 nan 0.000 0.452 665 Q N -0.048 119.712 119.800 -0.067 0.000 2.167 665 Q HA -0.076 4.276 4.340 0.019 0.000 0.202 665 Q C 2.378 178.250 176.000 -0.213 0.000 0.970 665 Q CA 1.668 57.384 55.803 -0.146 0.000 0.855 665 Q CB -0.695 27.941 28.738 -0.170 0.000 0.911 665 Q HN 0.648 nan 8.270 nan 0.000 0.438 666 A N 0.385 123.178 122.820 -0.044 0.000 2.125 666 A HA -0.087 4.244 4.320 0.019 0.000 0.219 666 A C 2.329 179.913 177.584 -0.001 0.000 1.156 666 A CA 0.953 53.039 52.037 0.082 0.000 0.671 666 A CB -0.424 18.697 19.000 0.200 0.000 0.794 666 A HN 0.198 nan 8.150 nan 0.000 0.459 667 V N 0.057 119.955 119.914 -0.027 0.000 2.515 667 V HA -0.240 3.891 4.120 0.019 0.000 0.250 667 V C 2.197 178.133 176.094 -0.263 0.000 1.058 667 V CA 2.122 64.394 62.300 -0.046 0.000 1.064 667 V CB -0.581 31.285 31.823 0.072 0.000 0.675 667 V HN 0.564 nan 8.190 nan 0.000 0.461 668 K N -0.574 119.492 120.400 -0.556 0.000 2.442 668 K HA -0.080 4.252 4.320 0.019 0.000 0.198 668 K C 1.479 177.754 176.600 -0.541 0.000 1.044 668 K CA 1.295 56.998 56.287 -0.973 0.000 0.948 668 K CB -0.193 31.481 32.500 -1.376 0.000 0.762 668 K HN 0.520 nan 8.250 nan 0.000 0.472 669 F N 0.787 120.660 119.950 -0.129 0.000 2.695 669 F HA 0.112 4.652 4.527 0.022 0.000 0.303 669 F C 0.625 176.383 175.800 -0.070 0.000 1.091 669 F CA -0.616 57.336 58.000 -0.080 0.000 1.300 669 F CB 0.519 39.483 39.000 -0.060 0.000 1.071 669 F HN -0.186 nan 8.300 nan 0.000 0.578 670 E N 1.988 122.232 120.200 0.073 0.000 2.316 670 E HA 0.072 4.433 4.350 0.019 0.000 0.275 670 E C -1.624 174.951 176.600 -0.042 0.000 1.029 670 E CA -1.581 54.841 56.400 0.036 0.000 0.871 670 E CB 0.959 30.689 29.700 0.050 0.000 1.022 670 E HN 0.055 nan 8.360 nan 0.000 0.418 671 P HA -0.115 nan 4.420 nan 0.000 0.216 671 P C -0.276 176.695 177.300 -0.548 0.000 1.153 671 P CA 1.418 64.306 63.100 -0.354 0.000 0.848 671 P CB 0.119 31.566 31.700 -0.421 0.000 0.787 672 Y N -2.579 117.660 120.300 -0.101 0.000 2.487 672 Y HA 0.259 4.820 4.550 0.019 0.000 0.337 672 Y C 2.090 177.944 175.900 -0.076 0.000 1.076 672 Y CA -0.788 57.225 58.100 -0.144 0.000 1.115 672 Y CB 0.675 39.095 38.460 -0.066 0.000 1.235 672 Y HN -0.100 nan 8.280 nan 0.000 0.468 673 H N -0.557 118.612 119.070 0.164 0.000 2.352 673 H HA -0.128 4.440 4.556 0.020 0.000 0.299 673 H C -0.038 175.349 175.328 0.099 0.000 1.097 673 H CA 1.371 57.465 56.048 0.076 0.000 1.311 673 H CB 0.123 29.913 29.762 0.047 0.000 1.377 673 H HN 0.547 nan 8.280 nan 0.000 0.504 674 D N 1.329 121.891 120.400 0.271 0.000 2.317 674 D HA 0.192 4.844 4.640 0.019 0.000 0.234 674 D C -0.282 176.126 176.300 0.180 0.000 1.112 674 D CA -0.026 54.092 54.000 0.197 0.000 0.840 674 D CB 0.953 41.868 40.800 0.192 0.000 1.078 674 D HN 0.282 nan 8.370 nan 0.000 0.486 675 S N 1.313 117.103 115.700 0.150 0.000 2.651 675 S HA 0.618 5.100 4.470 0.019 0.000 0.279 675 S C 0.974 175.651 174.600 0.129 0.000 1.148 675 S CA -0.416 57.867 58.200 0.138 0.000 0.837 675 S CB 1.537 64.817 63.200 0.133 0.000 1.138 675 S HN 0.259 nan 8.310 nan 0.000 0.478 676 A N 0.394 123.283 122.820 0.116 0.000 1.940 676 A HA -0.023 4.309 4.320 0.019 0.000 0.219 676 A C 1.959 179.639 177.584 0.159 0.000 1.176 676 A CA 1.786 53.895 52.037 0.119 0.000 0.631 676 A CB -0.978 18.072 19.000 0.083 0.000 0.814 676 A HN 0.942 nan 8.150 nan 0.000 0.446 677 L N -0.532 120.778 121.223 0.145 0.000 2.044 677 L HA 0.043 4.395 4.340 0.019 0.000 0.205 677 L C 2.710 179.721 176.870 0.235 0.000 1.075 677 L CA 2.059 57.010 54.840 0.184 0.000 0.747 677 L CB -0.810 41.327 42.059 0.131 0.000 0.903 677 L HN 0.322 nan 8.230 nan 0.000 0.435 678 A N -0.378 122.548 122.820 0.178 0.000 1.902 678 A HA -0.233 4.098 4.320 0.019 0.000 0.217 678 A C 2.430 180.110 177.584 0.161 0.000 1.181 678 A CA 1.914 54.048 52.037 0.162 0.000 0.623 678 A CB -0.551 18.528 19.000 0.131 0.000 0.818 678 A HN 0.482 nan 8.150 nan 0.000 0.443 679 R N -2.005 118.592 120.500 0.161 0.000 2.081 679 R HA -0.085 4.267 4.340 0.019 0.000 0.235 679 R C 2.000 178.401 176.300 0.169 0.000 1.131 679 R CA 1.515 57.701 56.100 0.144 0.000 0.960 679 R CB -0.528 29.850 30.300 0.130 0.000 0.856 679 R HN 0.581 nan 8.270 nan 0.000 0.436 680 F N 1.657 121.654 119.950 0.080 0.000 2.065 680 F HA -0.240 4.299 4.527 0.021 0.000 0.298 680 F C 1.862 177.715 175.800 0.089 0.000 1.112 680 F CA 1.601 59.649 58.000 0.081 0.000 1.212 680 F CB -0.411 38.636 39.000 0.079 0.000 0.975 680 F HN -0.089 nan 8.300 nan 0.000 0.476 681 L N -0.172 121.123 121.223 0.121 0.000 2.013 681 L HA -0.281 4.070 4.340 0.019 0.000 0.212 681 L C 2.659 179.503 176.870 -0.043 0.000 1.073 681 L CA 1.312 56.162 54.840 0.016 0.000 0.753 681 L CB -0.975 41.168 42.059 0.140 0.000 0.890 681 L HN 0.334 nan 8.230 nan 0.000 0.432 682 L N 0.266 121.511 121.223 0.038 0.000 1.989 682 L HA -0.256 4.096 4.340 0.019 0.000 0.211 682 L C 2.690 179.594 176.870 0.058 0.000 1.071 682 L CA 1.979 56.870 54.840 0.086 0.000 0.749 682 L CB -0.476 41.646 42.059 0.105 0.000 0.890 682 L HN 0.343 nan 8.230 nan 0.000 0.431 683 K N -0.621 119.772 120.400 -0.011 0.000 2.009 683 K HA -0.199 4.133 4.320 0.019 0.000 0.210 683 K C 1.986 178.547 176.600 -0.065 0.000 1.049 683 K CA 1.260 57.527 56.287 -0.032 0.000 0.929 683 K CB -0.239 32.234 32.500 -0.045 0.000 0.714 683 K HN 0.297 nan 8.250 nan 0.000 0.440 684 R N 0.171 120.543 120.500 -0.214 0.000 2.127 684 R HA -0.082 4.269 4.340 0.019 0.000 0.238 684 R C 2.381 178.660 176.300 -0.034 0.000 1.134 684 R CA 1.445 57.427 56.100 -0.196 0.000 0.975 684 R CB -1.239 28.805 30.300 -0.427 0.000 0.865 684 R HN 0.438 nan 8.270 nan 0.000 0.447 685 G N 0.615 109.416 108.800 0.002 0.000 2.403 685 G HA2 -0.139 3.833 3.960 0.019 0.000 0.216 685 G HA3 -0.139 3.833 3.960 0.019 0.000 0.216 685 G C 1.520 176.668 174.900 0.414 0.000 1.154 685 G CA 0.149 45.295 45.100 0.077 0.000 0.784 685 G HN 0.229 nan 8.290 nan 0.000 0.538 686 L N -0.395 121.039 121.223 0.352 0.000 2.313 686 L HA 0.198 4.550 4.340 0.019 0.000 0.214 686 L C 2.711 179.693 176.870 0.187 0.000 1.119 686 L CA 0.432 55.429 54.840 0.262 0.000 0.809 686 L CB -0.141 41.966 42.059 0.079 0.000 0.933 686 L HN 0.126 nan 8.230 nan 0.000 0.449 687 R N 0.127 120.728 120.500 0.169 0.000 2.200 687 R HA -0.002 4.350 4.340 0.019 0.000 0.208 687 R C 0.328 176.806 176.300 0.297 0.000 1.033 687 R CA 0.452 56.645 56.100 0.155 0.000 1.000 687 R CB 0.364 30.707 30.300 0.072 0.000 0.906 687 R HN 0.209 nan 8.270 nan 0.000 0.462 688 N N 0.382 119.253 118.700 0.284 0.000 2.454 688 N HA 0.088 4.839 4.740 0.019 0.000 0.291 688 N C -0.469 175.117 175.510 0.128 0.000 1.079 688 N CA -0.269 52.895 53.050 0.190 0.000 0.893 688 N CB 1.844 40.391 38.487 0.101 0.000 1.512 688 N HN -0.092 nan 8.380 nan 0.000 0.497 689 K N 1.772 122.148 120.400 -0.041 0.000 2.152 689 K HA -0.165 4.166 4.320 0.019 0.000 0.206 689 K C 1.612 178.129 176.600 -0.137 0.000 1.048 689 K CA 1.251 57.451 56.287 -0.144 0.000 0.933 689 K CB 0.293 32.562 32.500 -0.384 0.000 0.721 689 K HN 0.448 nan 8.250 nan 0.000 0.447 690 R N 1.385 121.780 120.500 -0.176 0.000 2.057 690 R HA -0.046 4.305 4.340 0.019 0.000 0.229 690 R C 2.100 178.391 176.300 -0.016 0.000 1.136 690 R CA 1.114 57.102 56.100 -0.186 0.000 0.952 690 R CB -0.293 29.826 30.300 -0.302 0.000 0.848 690 R HN 0.055 nan 8.270 nan 0.000 0.430 691 I N 0.436 121.001 120.570 -0.008 0.000 2.208 691 I HA -0.191 3.991 4.170 0.019 0.000 0.245 691 I C 2.377 178.455 176.117 -0.065 0.000 1.097 691 I CA 1.673 62.976 61.300 0.005 0.000 1.363 691 I CB -0.558 37.440 38.000 -0.002 0.000 1.051 691 I HN 0.485 nan 8.210 nan 0.000 0.413 692 G N -0.545 108.226 108.800 -0.048 0.000 2.422 692 G HA2 -0.340 3.631 3.960 0.019 0.000 0.218 692 G HA3 -0.340 3.631 3.960 0.019 0.000 0.218 692 G C 1.497 176.345 174.900 -0.086 0.000 1.146 692 G CA 1.281 46.285 45.100 -0.160 0.000 0.769 692 G HN 0.456 nan 8.290 nan 0.000 0.547 693 H N -0.182 118.861 119.070 -0.045 0.000 2.321 693 H HA 0.021 4.588 4.556 0.019 0.000 0.300 693 H C 2.187 177.413 175.328 -0.171 0.000 1.087 693 H CA 1.650 57.688 56.048 -0.017 0.000 1.319 693 H CB -0.344 29.199 29.762 -0.365 0.000 1.379 693 H HN 0.361 nan 8.280 nan 0.000 0.501 694 F N -0.606 119.196 119.950 -0.247 0.000 2.146 694 F HA -0.110 4.429 4.527 0.020 0.000 0.298 694 F C 2.400 177.663 175.800 -0.895 0.000 1.096 694 F CA 0.614 58.191 58.000 -0.704 0.000 1.275 694 F CB -0.376 38.152 39.000 -0.786 0.000 1.008 694 F HN 0.214 nan 8.300 nan 0.000 0.480 695 L N -0.022 120.962 121.223 -0.398 0.000 1.990 695 L HA -0.279 4.073 4.340 0.019 0.000 0.213 695 L C 2.242 178.895 176.870 -0.362 0.000 1.072 695 L CA 1.750 56.389 54.840 -0.334 0.000 0.755 695 L CB -1.146 40.665 42.059 -0.412 0.000 0.889 695 L HN 0.197 nan 8.230 nan 0.000 0.432 696 F N -1.080 118.493 119.950 -0.629 0.000 2.065 696 F HA -0.301 4.238 4.527 0.020 0.000 0.298 696 F C 1.912 177.324 175.800 -0.646 0.000 1.112 696 F CA 2.132 59.678 58.000 -0.757 0.000 1.212 696 F CB -0.647 37.591 39.000 -1.270 0.000 0.975 696 F HN 0.146 nan 8.300 nan 0.000 0.476 697 W N -0.224 120.881 121.300 -0.325 0.000 2.381 697 W HA -0.088 4.583 4.660 0.019 0.000 0.301 697 W C 2.513 178.984 176.519 -0.079 0.000 1.205 697 W CA 1.355 58.563 57.345 -0.228 0.000 1.285 697 W CB -0.931 28.470 29.460 -0.097 0.000 1.133 697 W HN 0.024 nan 8.180 nan 0.000 0.521 698 F N 0.108 120.050 119.950 -0.013 0.000 2.069 698 F HA -0.282 4.257 4.527 0.020 0.000 0.298 698 F C 2.203 177.818 175.800 -0.309 0.000 1.113 698 F CA 0.782 58.709 58.000 -0.121 0.000 1.214 698 F CB -1.026 37.916 39.000 -0.097 0.000 0.978 698 F HN -0.192 nan 8.300 nan 0.000 0.474 699 L N -0.136 120.968 121.223 -0.198 0.000 1.994 699 L HA -0.234 4.118 4.340 0.019 0.000 0.208 699 L C 2.607 179.245 176.870 -0.385 0.000 1.071 699 L CA 1.263 55.873 54.840 -0.383 0.000 0.745 699 L CB -0.742 41.146 42.059 -0.285 0.000 0.892 699 L HN 0.069 nan 8.230 nan 0.000 0.431 700 R N -0.290 119.911 120.500 -0.498 0.000 2.096 700 R HA -0.224 4.127 4.340 0.019 0.000 0.240 700 R C 2.632 178.807 176.300 -0.207 0.000 1.139 700 R CA 1.954 57.766 56.100 -0.479 0.000 0.952 700 R CB -0.362 29.422 30.300 -0.861 0.000 0.854 700 R HN 0.232 nan 8.270 nan 0.000 0.436 701 S N 0.113 115.758 115.700 -0.092 0.000 2.374 701 S HA -0.161 4.321 4.470 0.019 0.000 0.227 701 S C 1.661 176.215 174.600 -0.077 0.000 1.037 701 S CA 1.430 59.623 58.200 -0.012 0.000 1.024 701 S CB -0.104 63.120 63.200 0.038 0.000 0.861 701 S HN 0.339 nan 8.310 nan 0.000 0.456 702 E N 0.704 120.789 120.200 -0.192 0.000 2.072 702 E HA 0.004 4.365 4.350 0.019 0.000 0.190 702 E C 2.079 178.654 176.600 -0.043 0.000 0.982 702 E CA 0.835 57.124 56.400 -0.186 0.000 0.803 702 E CB -0.418 28.962 29.700 -0.533 0.000 0.755 702 E HN 0.607 nan 8.360 nan 0.000 0.453 703 I N 1.204 121.733 120.570 -0.068 0.000 2.286 703 I HA -0.239 3.943 4.170 0.019 0.000 0.248 703 I C 2.383 178.501 176.117 0.002 0.000 1.115 703 I CA 1.162 62.447 61.300 -0.025 0.000 1.392 703 I CB -0.272 37.692 38.000 -0.060 0.000 1.065 703 I HN -0.022 nan 8.210 nan 0.000 0.418 704 A N 0.399 123.220 122.820 0.001 0.000 2.014 704 A HA -0.171 4.160 4.320 0.019 0.000 0.218 704 A C 2.086 179.706 177.584 0.060 0.000 1.163 704 A CA 1.547 53.609 52.037 0.041 0.000 0.652 704 A CB -0.331 18.698 19.000 0.048 0.000 0.808 704 A HN 0.675 nan 8.150 nan 0.000 0.449 705 Q N -2.161 117.669 119.800 0.051 0.000 2.113 705 Q HA 0.316 4.668 4.340 0.019 0.000 0.225 705 Q C -0.010 176.040 176.000 0.083 0.000 0.786 705 Q CA 0.329 56.172 55.803 0.066 0.000 0.989 705 Q CB 0.196 28.966 28.738 0.054 0.000 1.174 705 Q HN 0.246 nan 8.270 nan 0.000 0.470 706 S N 0.773 116.531 115.700 0.097 0.000 2.601 706 S HA 0.369 4.851 4.470 0.019 0.000 0.312 706 S C 0.549 175.234 174.600 0.141 0.000 1.107 706 S CA -0.677 57.611 58.200 0.148 0.000 1.129 706 S CB 0.750 64.071 63.200 0.201 0.000 0.982 706 S HN 0.319 nan 8.310 nan 0.000 0.469 707 R N 2.453 123.048 120.500 0.158 0.000 2.148 707 R HA -0.038 4.314 4.340 0.019 0.000 0.223 707 R C 0.891 177.248 176.300 0.094 0.000 1.088 707 R CA 1.171 57.365 56.100 0.156 0.000 0.985 707 R CB -0.359 30.102 30.300 0.268 0.000 0.880 707 R HN 0.728 nan 8.270 nan 0.000 0.451 708 H N -1.321 117.591 119.070 -0.264 0.000 2.457 708 H HA -0.067 4.501 4.556 0.020 0.000 0.294 708 H C 0.690 175.608 175.328 -0.682 0.000 1.064 708 H CA 1.302 56.966 56.048 -0.640 0.000 1.330 708 H CB 0.043 29.288 29.762 -0.861 0.000 1.395 708 H HN 0.238 nan 8.280 nan 0.000 0.541 709 Y N -0.038 120.286 120.300 0.040 0.000 2.471 709 Y HA 0.010 4.571 4.550 0.019 0.000 0.249 709 Y C 2.198 178.069 175.900 -0.047 0.000 1.116 709 Y CA -0.229 57.846 58.100 -0.041 0.000 1.240 709 Y CB 0.412 38.869 38.460 -0.005 0.000 1.251 709 Y HN 0.185 nan 8.280 nan 0.000 0.527 710 Q N 1.034 120.850 119.800 0.028 0.000 2.096 710 Q HA -0.318 4.034 4.340 0.019 0.000 0.208 710 Q C 1.228 176.985 176.000 -0.404 0.000 0.993 710 Q CA 2.441 58.146 55.803 -0.163 0.000 0.862 710 Q CB -0.528 28.031 28.738 -0.298 0.000 0.915 710 Q HN 0.565 nan 8.270 nan 0.000 0.416 711 Q N 0.636 120.151 119.800 -0.476 0.000 2.002 711 Q HA -0.178 4.174 4.340 0.019 0.000 0.204 711 Q C 2.361 178.179 176.000 -0.303 0.000 0.988 711 Q CA 1.592 57.142 55.803 -0.422 0.000 0.843 711 Q CB -0.393 28.193 28.738 -0.254 0.000 0.908 711 Q HN 0.419 nan 8.270 nan 0.000 0.420 712 R N 0.419 120.716 120.500 -0.338 0.000 2.096 712 R HA -0.178 4.173 4.340 0.019 0.000 0.240 712 R C 2.120 178.277 176.300 -0.237 0.000 1.139 712 R CA 1.700 57.581 56.100 -0.365 0.000 0.952 712 R CB -0.268 29.867 30.300 -0.275 0.000 0.854 712 R HN 0.232 nan 8.270 nan 0.000 0.436 713 F N 0.198 120.109 119.950 -0.065 0.000 2.113 713 F HA -0.112 4.427 4.527 0.019 0.000 0.297 713 F C 2.658 178.406 175.800 -0.088 0.000 1.103 713 F CA 0.716 58.675 58.000 -0.067 0.000 1.248 713 F CB -0.362 38.595 39.000 -0.072 0.000 0.999 713 F HN 0.201 nan 8.300 nan 0.000 0.475 714 A N -0.118 122.734 122.820 0.053 0.000 1.948 714 A HA -0.190 4.141 4.320 0.019 0.000 0.220 714 A C 2.239 179.844 177.584 0.034 0.000 1.177 714 A CA 2.018 54.072 52.037 0.029 0.000 0.636 714 A CB -1.218 17.813 19.000 0.052 0.000 0.815 714 A HN 0.226 nan 8.150 nan 0.000 0.449 715 V N -0.246 119.669 119.914 0.002 0.000 2.548 715 V HA -0.191 3.940 4.120 0.019 0.000 0.249 715 V C 2.302 178.415 176.094 0.031 0.000 1.055 715 V CA 1.805 64.105 62.300 0.001 0.000 1.065 715 V CB -0.520 31.274 31.823 -0.049 0.000 0.681 715 V HN 0.590 nan 8.190 nan 0.000 0.462 716 I N -1.020 119.585 120.570 0.058 0.000 2.406 716 I HA -0.165 4.017 4.170 0.019 0.000 0.249 716 I C 2.308 178.486 176.117 0.101 0.000 1.122 716 I CA 1.089 62.446 61.300 0.095 0.000 1.431 716 I CB -0.252 37.833 38.000 0.142 0.000 1.087 716 I HN 0.229 nan 8.210 nan 0.000 0.424 717 L N 0.828 122.092 121.223 0.068 0.000 1.970 717 L HA -0.256 4.096 4.340 0.019 0.000 0.212 717 L C 2.720 179.635 176.870 0.074 0.000 1.071 717 L CA 1.872 56.736 54.840 0.040 0.000 0.751 717 L CB -0.485 41.526 42.059 -0.080 0.000 0.889 717 L HN 0.351 nan 8.230 nan 0.000 0.432 718 E N -0.150 120.069 120.200 0.032 0.000 2.114 718 E HA -0.297 4.065 4.350 0.019 0.000 0.199 718 E C 1.942 178.561 176.600 0.032 0.000 1.008 718 E CA 1.549 57.955 56.400 0.010 0.000 0.810 718 E CB 0.023 29.720 29.700 -0.005 0.000 0.739 718 E HN 0.577 nan 8.360 nan 0.000 0.456 719 A N 0.128 122.982 122.820 0.056 0.000 1.933 719 A HA -0.197 4.135 4.320 0.019 0.000 0.218 719 A C 1.990 179.617 177.584 0.071 0.000 1.175 719 A CA 1.450 53.522 52.037 0.060 0.000 0.628 719 A CB -0.767 18.273 19.000 0.067 0.000 0.814 719 A HN 0.557 nan 8.150 nan 0.000 0.444 720 Y N 0.500 120.816 120.300 0.026 0.000 2.184 720 Y HA -0.048 4.514 4.550 0.020 0.000 0.290 720 Y C 1.799 177.739 175.900 0.067 0.000 1.129 720 Y CA 1.635 59.758 58.100 0.038 0.000 1.144 720 Y CB -0.367 38.104 38.460 0.019 0.000 0.995 720 Y HN 0.178 nan 8.280 nan 0.000 0.513 721 L N 0.259 121.400 121.223 -0.137 0.000 2.450 721 L HA -0.145 4.207 4.340 0.019 0.000 0.224 721 L C 1.757 178.613 176.870 -0.022 0.000 1.149 721 L CA 1.124 55.903 54.840 -0.103 0.000 0.816 721 L CB -0.372 41.693 42.059 0.010 0.000 0.932 721 L HN 0.156 nan 8.230 nan 0.000 0.449 722 R N -0.538 119.959 120.500 -0.006 0.000 2.427 722 R HA 0.161 4.513 4.340 0.019 0.000 0.262 722 R C 1.242 177.540 176.300 -0.003 0.000 0.943 722 R CA 0.417 56.575 56.100 0.097 0.000 1.081 722 R CB 0.526 30.899 30.300 0.122 0.000 1.166 722 R HN 0.278 nan 8.270 nan 0.000 0.534 723 G N -0.623 108.113 108.800 -0.108 0.000 3.873 723 G HA2 -0.074 3.898 3.960 0.019 0.000 0.232 723 G HA3 -0.074 3.898 3.960 0.019 0.000 0.232 723 G C 1.034 175.826 174.900 -0.179 0.000 1.097 723 G CA -0.147 44.875 45.100 -0.130 0.000 0.889 723 G HN 0.379 nan 8.290 nan 0.000 0.532 724 C N -0.557 118.600 119.300 -0.238 0.000 2.485 724 C HA 0.615 5.087 4.460 0.019 0.000 0.278 724 C C 1.460 176.513 174.990 0.105 0.000 1.356 724 C CA 0.372 59.323 59.018 -0.112 0.000 1.747 724 C CB -0.748 26.825 27.740 -0.279 0.000 2.001 724 C HN 1.365 nan 8.230 nan 0.000 0.501 725 G N -0.158 108.667 108.800 0.042 0.000 2.406 725 G HA2 0.224 4.195 3.960 0.019 0.000 0.680 725 G HA3 0.224 4.195 3.960 0.019 0.000 0.680 725 G C 0.225 175.157 174.900 0.053 0.000 1.338 725 G CA 0.388 45.527 45.100 0.064 0.000 0.941 725 G HN 0.859 nan 8.290 nan 0.000 0.633 726 T N -1.897 112.678 114.554 0.036 0.000 2.985 726 T HA 0.340 4.702 4.350 0.019 0.000 0.266 726 T C 2.600 177.334 174.700 0.057 0.000 1.076 726 T CA 2.025 64.152 62.100 0.045 0.000 1.135 726 T CB -0.127 68.746 68.868 0.009 0.000 0.890 726 T HN 1.979 nan 8.240 nan 0.000 0.480 727 A N 2.450 125.289 122.820 0.033 0.000 1.883 727 A HA 0.009 4.341 4.320 0.019 0.000 0.217 727 A C 2.523 180.086 177.584 -0.035 0.000 1.186 727 A CA 1.841 53.889 52.037 0.019 0.000 0.624 727 A CB -0.729 18.268 19.000 -0.004 0.000 0.822 727 A HN 0.441 nan 8.150 nan 0.000 0.444 728 M N -0.893 118.662 119.600 -0.076 0.000 2.099 728 M HA -0.037 4.455 4.480 0.019 0.000 0.262 728 M C 2.297 178.484 176.300 -0.188 0.000 1.067 728 M CA 1.243 56.399 55.300 -0.241 0.000 1.124 728 M CB -1.290 31.267 32.600 -0.072 0.000 1.353 728 M HN 0.392 nan 8.290 nan 0.000 0.410 729 L N -0.861 120.392 121.223 0.050 0.000 2.043 729 L HA -0.281 4.071 4.340 0.019 0.000 0.212 729 L C 2.664 179.591 176.870 0.094 0.000 1.075 729 L CA 1.570 56.493 54.840 0.138 0.000 0.752 729 L CB -0.754 41.408 42.059 0.171 0.000 0.891 729 L HN 0.342 nan 8.230 nan 0.000 0.432 730 H N -0.458 118.597 119.070 -0.024 0.000 2.357 730 H HA -0.165 4.403 4.556 0.019 0.000 0.301 730 H C 1.987 177.274 175.328 -0.068 0.000 1.082 730 H CA 1.672 57.703 56.048 -0.027 0.000 1.342 730 H CB -0.013 29.734 29.762 -0.024 0.000 1.389 730 H HN 0.232 nan 8.280 nan 0.000 0.511 731 D N -0.112 120.145 120.400 -0.238 0.000 2.088 731 D HA -0.190 4.462 4.640 0.019 0.000 0.191 731 D C 2.189 178.306 176.300 -0.306 0.000 0.992 731 D CA 1.444 55.239 54.000 -0.342 0.000 0.831 731 D CB -0.538 39.976 40.800 -0.477 0.000 0.973 731 D HN 0.398 nan 8.370 nan 0.000 0.447 732 F N 1.120 120.913 119.950 -0.262 0.000 2.192 732 F HA -0.225 4.314 4.527 0.020 0.000 0.301 732 F C 2.677 178.335 175.800 -0.237 0.000 1.079 732 F CA 1.036 58.769 58.000 -0.446 0.000 1.303 732 F CB -0.486 37.969 39.000 -0.909 0.000 1.024 732 F HN -0.033 nan 8.300 nan 0.000 0.494 733 T N -0.555 113.987 114.554 -0.020 0.000 2.643 733 T HA -0.243 4.118 4.350 0.019 0.000 0.264 733 T C 1.815 176.493 174.700 -0.036 0.000 1.045 733 T CA 1.509 63.598 62.100 -0.017 0.000 1.155 733 T CB -0.472 68.384 68.868 -0.019 0.000 0.863 733 T HN 0.299 nan 8.240 nan 0.000 0.420 734 Q N 0.804 120.524 119.800 -0.133 0.000 2.045 734 Q HA -0.203 4.148 4.340 0.019 0.000 0.206 734 Q C 2.674 178.670 176.000 -0.008 0.000 0.991 734 Q CA 1.658 57.409 55.803 -0.086 0.000 0.851 734 Q CB -0.246 28.423 28.738 -0.115 0.000 0.911 734 Q HN 0.613 nan 8.270 nan 0.000 0.418 735 Q N -0.234 119.617 119.800 0.085 0.000 2.014 735 Q HA -0.190 4.162 4.340 0.019 0.000 0.207 735 Q C 2.292 178.444 176.000 0.254 0.000 0.993 735 Q CA 1.942 57.881 55.803 0.226 0.000 0.850 735 Q CB -0.324 28.710 28.738 0.493 0.000 0.916 735 Q HN 0.257 nan 8.270 nan 0.000 0.417 736 V N 1.058 121.136 119.914 0.273 0.000 2.255 736 V HA -0.329 3.802 4.120 0.019 0.000 0.247 736 V C 2.281 178.447 176.094 0.120 0.000 1.051 736 V CA 2.189 64.635 62.300 0.244 0.000 1.018 736 V CB -0.800 31.126 31.823 0.171 0.000 0.641 736 V HN 0.375 nan 8.190 nan 0.000 0.445 737 Q N -0.471 119.357 119.800 0.048 0.000 2.045 737 Q HA -0.218 4.134 4.340 0.019 0.000 0.206 737 Q C 2.304 178.271 176.000 -0.055 0.000 0.991 737 Q CA 2.582 58.385 55.803 -0.001 0.000 0.851 737 Q CB -0.328 28.404 28.738 -0.011 0.000 0.911 737 Q HN 0.595 nan 8.270 nan 0.000 0.418 738 V N 1.007 120.832 119.914 -0.149 0.000 2.237 738 V HA -0.281 3.851 4.120 0.019 0.000 0.245 738 V C 2.241 178.189 176.094 -0.244 0.000 1.046 738 V CA 1.960 64.069 62.300 -0.319 0.000 1.007 738 V CB -0.872 30.444 31.823 -0.845 0.000 0.638 738 V HN 0.536 nan 8.190 nan 0.000 0.445 739 I N -0.360 120.140 120.570 -0.118 0.000 2.361 739 I HA -0.200 3.982 4.170 0.019 0.000 0.251 739 I C 2.204 178.345 176.117 0.040 0.000 1.133 739 I CA 1.950 63.280 61.300 0.049 0.000 1.413 739 I CB -0.704 37.453 38.000 0.261 0.000 1.073 739 I HN 0.250 nan 8.210 nan 0.000 0.424 740 E N 0.623 120.852 120.200 0.048 0.000 2.106 740 E HA -0.123 4.239 4.350 0.019 0.000 0.192 740 E C 2.166 178.754 176.600 -0.020 0.000 0.984 740 E CA 1.423 57.848 56.400 0.042 0.000 0.806 740 E CB -0.173 29.560 29.700 0.055 0.000 0.750 740 E HN 0.555 nan 8.360 nan 0.000 0.458 741 M N -0.359 119.203 119.600 -0.063 0.000 2.077 741 M HA -0.143 4.349 4.480 0.019 0.000 0.261 741 M C 2.013 178.231 176.300 -0.137 0.000 1.070 741 M CA 1.293 56.545 55.300 -0.081 0.000 1.125 741 M CB -0.192 32.359 32.600 -0.083 0.000 1.339 741 M HN 0.153 nan 8.290 nan 0.000 0.409 742 L N -0.461 120.606 121.223 -0.261 0.000 2.265 742 L HA -0.211 4.141 4.340 0.019 0.000 0.215 742 L C 2.375 178.971 176.870 -0.457 0.000 1.117 742 L CA 1.046 55.591 54.840 -0.492 0.000 0.782 742 L CB -0.591 40.889 42.059 -0.965 0.000 0.914 742 L HN 0.415 nan 8.230 nan 0.000 0.441 743 Q N -0.186 119.481 119.800 -0.221 0.000 2.137 743 Q HA -0.183 4.169 4.340 0.019 0.000 0.198 743 Q C 2.230 178.224 176.000 -0.009 0.000 0.960 743 Q CA 1.022 56.817 55.803 -0.013 0.000 0.847 743 Q CB 0.058 28.854 28.738 0.097 0.000 0.915 743 Q HN 0.344 nan 8.270 nan 0.000 0.448 744 K N 0.464 120.844 120.400 -0.033 0.000 2.026 744 K HA -0.162 4.170 4.320 0.019 0.000 0.208 744 K C 1.960 178.544 176.600 -0.028 0.000 1.048 744 K CA 1.417 57.690 56.287 -0.023 0.000 0.929 744 K CB -0.012 32.474 32.500 -0.023 0.000 0.713 744 K HN 0.035 nan 8.250 nan 0.000 0.439 745 V N 1.309 121.194 119.914 -0.048 0.000 2.282 745 V HA -0.298 3.833 4.120 0.019 0.000 0.249 745 V C 2.289 178.378 176.094 -0.008 0.000 1.057 745 V CA 2.461 64.739 62.300 -0.036 0.000 1.032 745 V CB -1.043 30.744 31.823 -0.060 0.000 0.645 745 V HN 0.479 nan 8.190 nan 0.000 0.447 746 T N 0.724 115.279 114.554 0.003 0.000 2.635 746 T HA -0.201 4.161 4.350 0.019 0.000 0.267 746 T C 1.895 176.624 174.700 0.049 0.000 1.040 746 T CA 1.945 64.086 62.100 0.068 0.000 1.156 746 T CB -0.419 68.538 68.868 0.150 0.000 0.863 746 T HN 0.320 nan 8.240 nan 0.000 0.430 747 L N 0.797 122.024 121.223 0.007 0.000 2.093 747 L HA -0.079 4.272 4.340 0.019 0.000 0.208 747 L C 2.542 179.388 176.870 -0.040 0.000 1.085 747 L CA 1.095 55.899 54.840 -0.060 0.000 0.755 747 L CB -0.555 41.443 42.059 -0.102 0.000 0.904 747 L HN 0.147 nan 8.230 nan 0.000 0.435 748 D N 0.183 120.572 120.400 -0.019 0.000 2.097 748 D HA -0.164 4.488 4.640 0.019 0.000 0.195 748 D C 2.222 178.521 176.300 -0.001 0.000 0.989 748 D CA 1.334 55.327 54.000 -0.012 0.000 0.827 748 D CB -0.081 40.713 40.800 -0.009 0.000 0.966 748 D HN 0.220 nan 8.370 nan 0.000 0.456 749 I N 1.007 121.583 120.570 0.010 0.000 2.315 749 I HA -0.188 3.994 4.170 0.019 0.000 0.248 749 I C 2.324 178.456 176.117 0.026 0.000 1.117 749 I CA 1.043 62.356 61.300 0.021 0.000 1.404 749 I CB -0.021 38.000 38.000 0.034 0.000 1.071 749 I HN -0.115 nan 8.210 nan 0.000 0.419 750 K N 0.093 120.509 120.400 0.026 0.000 2.097 750 K HA -0.157 4.175 4.320 0.019 0.000 0.206 750 K C 2.271 178.882 176.600 0.018 0.000 1.049 750 K CA 1.598 57.904 56.287 0.032 0.000 0.933 750 K CB -0.029 32.490 32.500 0.033 0.000 0.717 750 K HN 0.280 nan 8.250 nan 0.000 0.442 751 S N 1.555 117.256 115.700 0.001 0.000 2.365 751 S HA -0.159 4.323 4.470 0.019 0.000 0.225 751 S C 0.950 175.555 174.600 0.008 0.000 1.039 751 S CA 1.166 59.366 58.200 0.000 0.000 1.033 751 S CB -0.428 62.768 63.200 -0.007 0.000 0.887 751 S HN 0.295 nan 8.310 nan 0.000 0.447 752 L N 2.456 123.685 121.223 0.010 0.000 2.404 752 L HA 0.461 4.813 4.340 0.019 0.000 0.277 752 L C 0.124 177.003 176.870 0.015 0.000 1.184 752 L CA -0.450 54.397 54.840 0.011 0.000 1.013 752 L CB -0.682 41.383 42.059 0.010 0.000 1.318 752 L HN 0.193 nan 8.230 nan 0.000 0.435 761 S N 1.900 117.600 115.700 -0.000 0.000 2.389 761 S HA -0.313 4.169 4.470 0.019 0.000 0.231 761 S C 1.650 176.251 174.600 0.002 0.000 1.052 761 S CA 1.765 59.965 58.200 -0.000 0.000 1.053 761 S CB -1.018 62.182 63.200 -0.001 0.000 0.886 761 S HN 0.784 nan 8.310 nan 0.000 0.456 762 Q N 0.565 120.366 119.800 0.003 0.000 2.020 762 Q HA -0.060 4.291 4.340 0.019 0.000 0.202 762 Q C 2.582 178.585 176.000 0.005 0.000 0.982 762 Q CA 1.815 57.620 55.803 0.004 0.000 0.838 762 Q CB -0.562 28.178 28.738 0.004 0.000 0.899 762 Q HN 0.577 nan 8.270 nan 0.000 0.423 763 V N 1.327 121.245 119.914 0.007 0.000 2.343 763 V HA -0.268 3.864 4.120 0.019 0.000 0.247 763 V C 2.260 178.360 176.094 0.011 0.000 1.051 763 V CA 1.559 63.865 62.300 0.010 0.000 1.036 763 V CB -0.635 31.195 31.823 0.013 0.000 0.654 763 V HN 0.328 nan 8.190 nan 0.000 0.451 764 I N 0.258 120.833 120.570 0.008 0.000 2.185 764 I HA -0.331 3.851 4.170 0.019 0.000 0.246 764 I C 2.724 178.846 176.117 0.008 0.000 1.088 764 I CA 2.010 63.315 61.300 0.007 0.000 1.347 764 I CB -0.532 37.469 38.000 0.002 0.000 1.041 764 I HN 0.321 nan 8.210 nan 0.000 0.415 765 S N 0.010 115.713 115.700 0.006 0.000 2.348 765 S HA -0.251 4.231 4.470 0.019 0.000 0.221 765 S C 1.998 176.601 174.600 0.006 0.000 1.033 765 S CA 1.577 59.780 58.200 0.005 0.000 1.010 765 S CB -0.139 63.063 63.200 0.004 0.000 0.891 765 S HN 0.381 nan 8.310 nan 0.000 0.442 766 Q N 1.032 120.836 119.800 0.006 0.000 2.173 766 Q HA -0.088 4.264 4.340 0.019 0.000 0.208 766 Q C 2.068 178.072 176.000 0.007 0.000 0.989 766 Q CA 1.470 57.277 55.803 0.006 0.000 0.872 766 Q CB -0.520 28.222 28.738 0.007 0.000 0.909 766 Q HN 0.515 nan 8.270 nan 0.000 0.420 767 L N 0.114 121.343 121.223 0.011 0.000 1.951 767 L HA -0.366 3.986 4.340 0.019 0.000 0.222 767 L C 2.666 179.540 176.870 0.007 0.000 1.078 767 L CA 2.575 57.424 54.840 0.014 0.000 0.778 767 L CB -0.644 41.428 42.059 0.021 0.000 0.893 767 L HN 0.334 nan 8.230 nan 0.000 0.436 768 K N -0.781 119.623 120.400 0.006 0.000 2.097 768 K HA -0.233 4.098 4.320 0.019 0.000 0.206 768 K C 1.831 178.431 176.600 0.000 0.000 1.049 768 K CA 1.874 58.161 56.287 0.002 0.000 0.933 768 K CB -0.997 31.505 32.500 0.003 0.000 0.717 768 K HN 0.560 nan 8.250 nan 0.000 0.442 769 Q N -0.215 119.586 119.800 0.002 0.000 2.096 769 Q HA -0.174 4.178 4.340 0.019 0.000 0.204 769 Q C 2.379 178.378 176.000 -0.000 0.000 0.982 769 Q CA 2.129 57.933 55.803 0.001 0.000 0.850 769 Q CB -0.104 28.635 28.738 0.002 0.000 0.901 769 Q HN 0.629 nan 8.270 nan 0.000 0.422 770 K N 0.189 120.588 120.400 -0.002 0.000 2.076 770 K HA -0.043 4.289 4.320 0.019 0.000 0.204 770 K C 2.048 178.643 176.600 -0.009 0.000 1.051 770 K CA 0.736 57.020 56.287 -0.006 0.000 0.949 770 K CB 0.001 32.496 32.500 -0.007 0.000 0.726 770 K HN 0.107 nan 8.250 nan 0.000 0.443 771 L N 1.181 122.398 121.223 -0.011 0.000 2.131 771 L HA -0.185 4.166 4.340 0.019 0.000 0.210 771 L C 2.084 178.949 176.870 -0.009 0.000 1.092 771 L CA 1.285 56.115 54.840 -0.016 0.000 0.759 771 L CB -0.285 41.758 42.059 -0.026 0.000 0.903 771 L HN 0.216 nan 8.230 nan 0.000 0.435 772 E N -0.190 120.007 120.200 -0.004 0.000 2.150 772 E HA -0.157 4.204 4.350 0.019 0.000 0.193 772 E C 1.868 178.471 176.600 0.005 0.000 0.985 772 E CA 0.700 57.101 56.400 0.001 0.000 0.814 772 E CB -0.009 29.693 29.700 0.002 0.000 0.752 772 E HN 0.490 nan 8.360 nan 0.000 0.466 773 N N 0.653 119.355 118.700 0.003 0.000 2.188 773 N HA -0.115 4.636 4.740 0.019 0.000 0.184 773 N C 1.958 177.473 175.510 0.007 0.000 1.018 773 N CA 0.845 53.898 53.050 0.005 0.000 0.858 773 N CB -0.053 38.435 38.487 0.002 0.000 0.989 773 N HN 0.165 nan 8.380 nan 0.000 0.426 774 L N 1.199 122.425 121.223 0.006 0.000 2.027 774 L HA -0.094 4.257 4.340 0.019 0.000 0.206 774 L C 2.338 179.223 176.870 0.025 0.000 1.074 774 L CA 0.992 55.838 54.840 0.010 0.000 0.745 774 L CB -0.494 41.567 42.059 0.003 0.000 0.898 774 L HN 0.039 nan 8.230 nan 0.000 0.433 775 Q N 0.179 119.996 119.800 0.028 0.000 2.443 775 Q HA -0.157 4.195 4.340 0.019 0.000 0.213 775 Q C 1.765 177.786 176.000 0.035 0.000 0.982 775 Q CA 0.726 56.553 55.803 0.040 0.000 0.894 775 Q CB -0.301 28.457 28.738 0.033 0.000 0.947 775 Q HN 0.548 nan 8.270 nan 0.000 0.480 776 N N 0.111 118.827 118.700 0.026 0.000 2.006 776 N HA -0.135 4.617 4.740 0.019 0.000 0.196 776 N C 1.706 177.232 175.510 0.027 0.000 1.057 776 N CA 2.392 55.456 53.050 0.023 0.000 0.853 776 N CB 0.038 38.536 38.487 0.017 0.000 1.051 776 N HN 0.347 nan 8.380 nan 0.000 0.423 777 S N -2.950 112.766 115.700 0.027 0.000 3.369 777 S HA 0.107 4.588 4.470 0.019 0.000 0.251 777 S C 2.038 176.657 174.600 0.031 0.000 1.093 777 S CA 0.689 58.906 58.200 0.029 0.000 0.952 777 S CB -0.261 62.953 63.200 0.025 0.000 0.965 777 S HN 0.239 nan 8.310 nan 0.000 0.436 778 Q N 1.737 121.552 119.800 0.025 0.000 2.062 778 Q HA 0.150 4.502 4.340 0.019 0.000 0.209 778 Q C 1.270 177.285 176.000 0.024 0.000 0.996 778 Q CA 1.915 57.731 55.803 0.022 0.000 0.859 778 Q CB -1.495 27.251 28.738 0.014 0.000 0.920 778 Q HN 0.860 nan 8.270 nan 0.000 0.415 779 L N 2.372 123.610 121.223 0.024 0.000 2.462 779 L HA 0.266 4.617 4.340 0.019 0.000 0.272 779 L C -2.025 174.876 176.870 0.051 0.000 1.166 779 L CA -1.651 53.205 54.840 0.027 0.000 0.880 779 L CB 0.968 43.048 42.059 0.036 0.000 1.142 779 L HN 0.218 nan 8.230 nan 0.000 0.473 780 P HA 0.027 nan 4.420 nan 0.000 0.271 780 P C 0.072 177.440 177.300 0.112 0.000 1.233 780 P CA -0.211 62.935 63.100 0.076 0.000 0.789 780 P CB 0.591 32.328 31.700 0.062 0.000 0.951 781 E N 0.070 120.328 120.200 0.098 0.000 2.049 781 E HA -0.118 4.243 4.350 0.019 0.000 0.198 781 E C 1.021 177.695 176.600 0.125 0.000 1.007 781 E CA 1.739 58.197 56.400 0.096 0.000 0.809 781 E CB -0.180 29.560 29.700 0.067 0.000 0.749 781 E HN 0.670 nan 8.360 nan 0.000 0.450 782 S N -1.077 114.693 115.700 0.117 0.000 2.806 782 S HA 0.669 5.150 4.470 0.019 0.000 0.306 782 S C -0.715 173.999 174.600 0.191 0.000 1.167 782 S CA -0.945 57.311 58.200 0.094 0.000 0.847 782 S CB 1.913 65.096 63.200 -0.028 0.000 1.216 782 S HN 0.201 nan 8.310 nan 0.000 0.532 783 F N -2.040 117.850 119.950 -0.100 0.000 2.690 783 F HA 0.654 5.192 4.527 0.019 0.000 0.311 783 F C -0.860 174.833 175.800 -0.179 0.000 1.111 783 F CA -1.174 56.748 58.000 -0.130 0.000 1.003 783 F CB 1.023 39.956 39.000 -0.111 0.000 1.283 783 F HN 0.796 nan 8.300 nan 0.000 0.442 784 R N 1.590 122.029 120.500 -0.101 0.000 2.679 784 R HA 0.551 4.903 4.340 0.019 0.000 0.268 784 R C -1.020 175.138 176.300 -0.238 0.000 1.044 784 R CA -0.390 55.566 56.100 -0.239 0.000 1.105 784 R CB 0.949 31.117 30.300 -0.220 0.000 0.989 784 R HN 0.671 nan 8.270 nan 0.000 0.447 785 V N 7.768 127.435 119.914 -0.412 0.000 2.408 785 V HA 0.100 4.232 4.120 0.019 0.000 0.267 785 V C -1.557 174.279 176.094 -0.429 0.000 1.047 785 V CA -1.325 60.685 62.300 -0.485 0.000 0.937 785 V CB 1.340 32.743 31.823 -0.699 0.000 0.999 785 V HN 0.844 nan 8.190 nan 0.000 0.472 786 P HA -0.182 nan 4.420 nan 0.000 0.217 786 P C 1.077 178.289 177.300 -0.147 0.000 1.148 786 P CA 1.565 64.439 63.100 -0.377 0.000 0.828 786 P CB -0.019 31.074 31.700 -1.012 0.000 0.783 787 Y N -3.006 117.284 120.300 -0.017 0.000 2.500 787 Y HA 0.384 4.946 4.550 0.019 0.000 0.270 787 Y C 0.175 176.215 175.900 0.234 0.000 1.134 787 Y CA -0.388 57.818 58.100 0.177 0.000 1.293 787 Y CB -0.472 38.039 38.460 0.085 0.000 1.063 787 Y HN -0.200 nan 8.280 nan 0.000 0.534 788 D N 1.648 121.985 120.400 -0.107 0.000 2.364 788 D HA 0.220 4.872 4.640 0.019 0.000 0.251 788 D C -2.381 173.731 176.300 -0.313 0.000 1.282 788 D CA -2.198 51.770 54.000 -0.054 0.000 0.927 788 D CB 1.508 42.306 40.800 -0.004 0.000 1.267 788 D HN -0.051 nan 8.370 nan 0.000 0.531 789 P HA 0.008 nan 4.420 nan 0.000 0.231 789 P C 1.269 178.283 177.300 -0.478 0.000 1.158 789 P CA 0.405 63.055 63.100 -0.749 0.000 0.763 789 P CB 0.371 31.390 31.700 -1.134 0.000 0.805 790 G N -0.076 108.534 108.800 -0.317 0.000 2.464 790 G HA2 -0.010 3.962 3.960 0.019 0.000 0.217 790 G HA3 -0.010 3.962 3.960 0.019 0.000 0.217 790 G C 0.738 175.480 174.900 -0.264 0.000 1.138 790 G CA 0.023 44.973 45.100 -0.249 0.000 0.793 790 G HN 0.217 nan 8.290 nan 0.000 0.539 791 L N 0.484 121.547 121.223 -0.268 0.000 2.350 791 L HA 0.375 4.727 4.340 0.019 0.000 0.275 791 L C 0.037 176.715 176.870 -0.320 0.000 1.099 791 L CA -0.274 54.407 54.840 -0.265 0.000 0.808 791 L CB 1.409 43.322 42.059 -0.243 0.000 1.149 791 L HN -0.061 nan 8.230 nan 0.000 0.442 792 K N 2.467 122.691 120.400 -0.293 0.000 2.425 792 K HA 0.518 4.849 4.320 0.019 0.000 0.259 792 K C -0.741 175.635 176.600 -0.374 0.000 0.978 792 K CA -0.490 55.602 56.287 -0.325 0.000 0.883 792 K CB 1.850 34.215 32.500 -0.224 0.000 1.110 792 K HN 0.670 nan 8.250 nan 0.000 0.436 793 A N 3.068 125.499 122.820 -0.648 0.000 2.279 793 A HA 0.487 4.818 4.320 0.019 0.000 0.306 793 A C 0.594 177.881 177.584 -0.495 0.000 1.300 793 A CA -0.314 51.299 52.037 -0.707 0.000 0.925 793 A CB 0.582 18.792 19.000 -1.317 0.000 1.152 793 A HN 0.854 nan 8.150 nan 0.000 0.544 794 G N 1.424 110.149 108.800 -0.124 0.000 2.679 794 G HA2 0.504 4.475 3.960 0.019 0.000 0.202 794 G HA3 0.504 4.475 3.960 0.019 0.000 0.202 794 G C 0.704 175.750 174.900 0.244 0.000 1.566 794 G CA 0.127 45.252 45.100 0.043 0.000 1.074 794 G HN 1.363 nan 8.290 nan 0.000 0.564 795 A N -1.234 121.701 122.820 0.192 0.000 2.425 795 A HA 0.520 4.852 4.320 0.019 0.000 0.242 795 A C 0.303 177.976 177.584 0.149 0.000 1.077 795 A CA -0.315 51.834 52.037 0.187 0.000 0.781 795 A CB 0.000 19.059 19.000 0.098 0.000 1.020 795 A HN 0.484 nan 8.150 nan 0.000 0.494 796 L N 0.523 121.753 121.223 0.012 0.000 2.452 796 L HA 0.318 4.670 4.340 0.019 0.000 0.267 796 L C 1.113 177.912 176.870 -0.119 0.000 1.188 796 L CA 0.223 54.916 54.840 -0.245 0.000 0.821 796 L CB 0.926 42.816 42.059 -0.281 0.000 1.102 796 L HN 0.772 nan 8.230 nan 0.000 0.470 797 A N 3.599 126.336 122.820 -0.139 0.000 3.282 797 A HA 0.252 4.583 4.320 0.019 0.000 0.287 797 A C 1.525 179.089 177.584 -0.034 0.000 1.366 797 A CA -0.483 51.529 52.037 -0.042 0.000 1.069 797 A CB -0.632 18.368 19.000 -0.000 0.000 1.109 797 A HN 0.701 nan 8.150 nan 0.000 0.638 798 I N 0.886 121.427 120.570 -0.048 0.000 2.242 798 I HA -0.481 3.701 4.170 0.019 0.000 0.242 798 I C 2.441 178.559 176.117 0.001 0.000 0.998 798 I CA 2.725 64.008 61.300 -0.029 0.000 1.283 798 I CB -1.703 36.285 38.000 -0.019 0.000 0.985 798 I HN 0.812 nan 8.210 nan 0.000 0.415 799 E N 2.197 122.402 120.200 0.009 0.000 2.086 799 E HA -0.283 4.078 4.350 0.019 0.000 0.205 799 E C 2.014 178.633 176.600 0.032 0.000 1.027 799 E CA 1.876 58.286 56.400 0.018 0.000 0.830 799 E CB -0.532 29.180 29.700 0.019 0.000 0.751 799 E HN 0.598 nan 8.360 nan 0.000 0.456 800 K N 0.434 120.867 120.400 0.055 0.000 2.103 800 K HA 0.029 4.360 4.320 0.019 0.000 0.204 800 K C 0.830 177.527 176.600 0.160 0.000 1.052 800 K CA 0.776 57.126 56.287 0.105 0.000 0.945 800 K CB -0.247 32.343 32.500 0.149 0.000 0.722 800 K HN 0.175 nan 8.250 nan 0.000 0.443 801 C N 3.495 122.876 119.300 0.135 0.000 2.634 801 C HA 0.118 4.590 4.460 0.019 0.000 0.418 801 C C 0.395 175.462 174.990 0.128 0.000 1.373 801 C CA -0.521 58.596 59.018 0.166 0.000 1.756 801 C CB -1.277 26.497 27.740 0.057 0.000 2.589 801 C HN 0.426 nan 8.230 nan 0.000 0.602 802 K N 1.507 122.012 120.400 0.175 0.000 2.556 802 K HA 0.707 5.039 4.320 0.019 0.000 0.274 802 K C -1.871 174.804 176.600 0.124 0.000 0.966 802 K CA -0.788 55.553 56.287 0.090 0.000 0.865 802 K CB 1.028 33.516 32.500 -0.020 0.000 1.444 802 K HN 0.224 nan 8.250 nan 0.000 0.433 803 V N 2.736 122.694 119.914 0.074 0.000 2.465 803 V HA 0.300 4.432 4.120 0.019 0.000 0.279 803 V C -0.026 176.101 176.094 0.054 0.000 1.045 803 V CA -0.594 61.755 62.300 0.081 0.000 0.938 803 V CB 1.152 33.012 31.823 0.061 0.000 0.986 803 V HN 0.687 nan 8.190 nan 0.000 0.467 804 M N 3.370 123.014 119.600 0.075 0.000 2.342 804 M HA 0.524 5.015 4.480 0.019 0.000 0.332 804 M C 0.488 176.801 176.300 0.022 0.000 1.166 804 M CA -0.353 54.970 55.300 0.039 0.000 1.086 804 M CB 1.337 33.978 32.600 0.068 0.000 1.541 804 M HN 0.662 nan 8.290 nan 0.000 0.462 805 A N 2.295 125.113 122.820 -0.003 0.000 2.906 805 A HA 0.420 4.752 4.320 0.019 0.000 0.289 805 A C -0.092 177.487 177.584 -0.008 0.000 1.675 805 A CA 0.169 52.202 52.037 -0.007 0.000 1.372 805 A CB -0.490 18.498 19.000 -0.020 0.000 1.091 805 A HN 0.661 nan 8.150 nan 0.000 0.579 806 S N 0.947 116.649 115.700 0.004 0.000 2.550 806 S HA 0.367 4.848 4.470 0.019 0.000 0.270 806 S C 0.917 175.525 174.600 0.012 0.000 1.145 806 S CA -0.440 57.759 58.200 -0.003 0.000 0.852 806 S CB 1.281 64.478 63.200 -0.005 0.000 1.119 806 S HN 0.657 nan 8.310 nan 0.000 0.465 807 K N 1.807 122.212 120.400 0.008 0.000 2.015 807 K HA -0.143 4.189 4.320 0.019 0.000 0.220 807 K C 0.003 176.630 176.600 0.045 0.000 1.055 807 K CA 1.458 57.759 56.287 0.023 0.000 0.951 807 K CB -0.363 32.152 32.500 0.025 0.000 0.725 807 K HN 0.610 nan 8.250 nan 0.000 0.449 808 K N 2.361 122.793 120.400 0.054 0.000 2.349 808 K HA 0.092 4.423 4.320 0.019 0.000 0.288 808 K C -0.475 176.172 176.600 0.079 0.000 1.058 808 K CA -0.029 56.307 56.287 0.083 0.000 0.953 808 K CB 1.039 33.589 32.500 0.084 0.000 0.997 808 K HN 0.031 nan 8.250 nan 0.000 0.477 809 K N 4.628 125.082 120.400 0.090 0.000 2.206 809 K HA 0.199 4.531 4.320 0.019 0.000 0.268 809 K C -2.303 174.362 176.600 0.110 0.000 1.111 809 K CA -1.585 54.751 56.287 0.082 0.000 0.955 809 K CB 0.473 33.013 32.500 0.066 0.000 1.406 809 K HN 0.455 nan 8.250 nan 0.000 0.427 810 P HA 0.253 nan 4.420 nan 0.000 0.278 810 P C -0.500 176.910 177.300 0.183 0.000 1.258 810 P CA -0.824 62.371 63.100 0.158 0.000 0.811 810 P CB 0.765 32.553 31.700 0.147 0.000 1.063 811 L N 1.778 123.137 121.223 0.227 0.000 2.289 811 L HA 0.380 4.731 4.340 0.019 0.000 0.285 811 L C -0.252 176.812 176.870 0.323 0.000 1.049 811 L CA -0.142 54.848 54.840 0.250 0.000 0.804 811 L CB 0.393 42.596 42.059 0.241 0.000 1.195 811 L HN 0.460 nan 8.230 nan 0.000 0.428 812 W N 7.278 128.645 121.300 0.113 0.000 2.282 812 W HA 0.477 5.149 4.660 0.019 0.000 0.322 812 W C -1.821 174.763 176.519 0.108 0.000 1.011 812 W CA -0.719 56.691 57.345 0.110 0.000 1.392 812 W CB 0.895 30.397 29.460 0.070 0.000 1.215 812 W HN 0.333 nan 8.180 nan 0.000 0.394 813 L N 4.866 126.160 121.223 0.120 0.000 2.334 813 L HA 0.517 4.868 4.340 0.019 0.000 0.272 813 L C -0.087 176.784 176.870 0.000 0.000 1.020 813 L CA -0.797 54.095 54.840 0.086 0.000 0.812 813 L CB 2.073 44.233 42.059 0.168 0.000 1.264 813 L HN 0.271 nan 8.230 nan 0.000 0.439 814 E N 1.296 121.441 120.200 -0.092 0.000 2.272 814 E HA 0.588 4.950 4.350 0.019 0.000 0.269 814 E C -1.728 174.750 176.600 -0.204 0.000 0.877 814 E CA -0.492 55.898 56.400 -0.017 0.000 0.755 814 E CB 2.414 32.165 29.700 0.085 0.000 1.192 814 E HN 0.234 nan 8.360 nan 0.000 0.422 815 F N 1.347 121.332 119.950 0.059 0.000 2.551 815 F HA 0.405 4.943 4.527 0.020 0.000 0.316 815 F C 0.141 175.945 175.800 0.007 0.000 1.089 815 F CA -1.027 56.997 58.000 0.040 0.000 0.915 815 F CB 1.579 40.590 39.000 0.018 0.000 1.186 815 F HN 0.086 nan 8.300 nan 0.000 0.456 816 K N 0.915 121.419 120.400 0.174 0.000 2.295 816 K HA 0.286 4.618 4.320 0.019 0.000 0.270 816 K C -0.551 176.079 176.600 0.051 0.000 1.011 816 K CA -0.499 55.842 56.287 0.090 0.000 0.953 816 K CB 0.922 33.461 32.500 0.065 0.000 0.956 816 K HN 0.658 nan 8.250 nan 0.000 0.477 817 C N 2.870 122.179 119.300 0.014 0.000 2.555 817 C HA 0.266 4.737 4.460 0.019 0.000 0.385 817 C C 1.683 176.647 174.990 -0.043 0.000 1.296 817 C CA -0.365 58.631 59.018 -0.036 0.000 1.757 817 C CB -1.260 26.458 27.740 -0.037 0.000 2.445 817 C HN 0.904 nan 8.230 nan 0.000 0.571 818 A N 3.938 126.714 122.820 -0.074 0.000 2.125 818 A HA -0.031 4.301 4.320 0.019 0.000 0.219 818 A C 1.070 178.618 177.584 -0.061 0.000 1.156 818 A CA 1.132 53.132 52.037 -0.061 0.000 0.671 818 A CB -0.314 18.634 19.000 -0.086 0.000 0.794 818 A HN 0.916 nan 8.150 nan 0.000 0.459 819 D N -0.452 119.901 120.400 -0.079 0.000 2.325 819 D HA 0.290 4.942 4.640 0.019 0.000 0.251 819 D C -1.929 174.337 176.300 -0.057 0.000 1.196 819 D CA -1.949 52.004 54.000 -0.079 0.000 0.866 819 D CB 1.346 42.078 40.800 -0.114 0.000 1.101 819 D HN 0.055 nan 8.370 nan 0.000 0.476 820 P HA -0.000 nan 4.420 nan 0.000 0.241 820 P C 1.022 178.302 177.300 -0.033 0.000 1.191 820 P CA 0.591 63.674 63.100 -0.028 0.000 0.771 820 P CB 0.090 31.781 31.700 -0.016 0.000 0.929 821 T N -3.627 110.894 114.554 -0.055 0.000 3.148 821 T HA 0.264 4.625 4.350 0.019 0.000 0.253 821 T C 0.978 175.626 174.700 -0.086 0.000 1.134 821 T CA -0.146 61.914 62.100 -0.067 0.000 1.051 821 T CB -0.775 68.039 68.868 -0.090 0.000 0.959 821 T HN 0.061 nan 8.240 nan 0.000 0.525 822 A N 2.308 125.085 122.820 -0.073 0.000 2.545 822 A HA 0.441 4.773 4.320 0.019 0.000 0.253 822 A C 1.330 178.886 177.584 -0.048 0.000 1.074 822 A CA -0.413 51.587 52.037 -0.061 0.000 0.760 822 A CB -0.394 18.581 19.000 -0.042 0.000 1.005 822 A HN 0.750 nan 8.150 nan 0.000 0.506 823 L N 1.912 123.099 121.223 -0.060 0.000 2.633 823 L HA 0.256 4.608 4.340 0.019 0.000 0.235 823 L C 0.675 177.533 176.870 -0.019 0.000 1.163 823 L CA 1.146 55.943 54.840 -0.072 0.000 0.859 823 L CB -0.799 41.171 42.059 -0.149 0.000 0.973 823 L HN 0.508 nan 8.230 nan 0.000 0.451 824 S N -0.905 114.797 115.700 0.004 0.000 2.570 824 S HA 0.417 4.899 4.470 0.019 0.000 0.270 824 S C -0.134 174.479 174.600 0.023 0.000 1.149 824 S CA -0.810 57.404 58.200 0.023 0.000 0.837 824 S CB 1.145 64.372 63.200 0.045 0.000 1.124 824 S HN 0.243 nan 8.310 nan 0.000 0.465 825 N N 1.544 120.262 118.700 0.030 0.000 2.251 825 N HA 0.129 4.881 4.740 0.019 0.000 0.217 825 N C -0.552 174.985 175.510 0.046 0.000 1.124 825 N CA -0.008 53.062 53.050 0.033 0.000 0.843 825 N CB 0.421 38.926 38.487 0.029 0.000 1.024 825 N HN 0.634 nan 8.380 nan 0.000 0.501 826 E N 1.485 121.718 120.200 0.054 0.000 2.414 826 E HA -0.016 4.346 4.350 0.019 0.000 0.263 826 E C 0.461 177.103 176.600 0.071 0.000 1.000 826 E CA 0.345 56.786 56.400 0.069 0.000 0.914 826 E CB 0.792 30.538 29.700 0.076 0.000 0.948 826 E HN 0.230 nan 8.360 nan 0.000 0.444 827 T N 0.364 114.969 114.554 0.086 0.000 2.816 827 T HA 0.407 4.769 4.350 0.019 0.000 0.282 827 T C 0.366 175.127 174.700 0.101 0.000 0.993 827 T CA -0.673 61.485 62.100 0.097 0.000 0.994 827 T CB 0.552 69.486 68.868 0.110 0.000 1.025 827 T HN 0.275 nan 8.240 nan 0.000 0.529 828 I N 1.517 122.163 120.570 0.126 0.000 2.306 828 I HA 0.439 4.621 4.170 0.019 0.000 0.288 828 I C 0.928 177.156 176.117 0.185 0.000 1.036 828 I CA -0.591 60.786 61.300 0.128 0.000 1.221 828 I CB 0.818 38.850 38.000 0.054 0.000 1.385 828 I HN 0.889 nan 8.210 nan 0.000 0.472 829 G N 7.679 116.532 108.800 0.087 0.000 2.322 829 G HA2 0.742 4.714 3.960 0.019 0.000 0.309 829 G HA3 0.742 4.714 3.960 0.019 0.000 0.309 829 G C -0.553 174.326 174.900 -0.035 0.000 1.121 829 G CA -0.341 44.723 45.100 -0.059 0.000 0.886 829 G HN 0.519 nan 8.290 nan 0.000 0.447 830 I N 2.147 122.728 120.570 0.018 0.000 2.533 830 I HA 0.377 4.559 4.170 0.019 0.000 0.290 830 I C -0.540 175.589 176.117 0.020 0.000 1.056 830 I CA -0.805 60.551 61.300 0.093 0.000 1.057 830 I CB 2.494 40.681 38.000 0.312 0.000 1.240 830 I HN 0.229 nan 8.210 nan 0.000 0.423 831 I N 4.880 125.413 120.570 -0.061 0.000 2.392 831 I HA 0.355 4.536 4.170 0.019 0.000 0.295 831 I C -0.949 175.168 176.117 0.000 0.000 0.985 831 I CA -0.322 60.986 61.300 0.013 0.000 1.221 831 I CB 1.264 39.251 38.000 -0.021 0.000 1.366 831 I HN 0.349 nan 8.210 nan 0.000 0.467 832 F N 5.801 125.815 119.950 0.105 0.000 2.402 832 F HA 0.495 5.034 4.527 0.020 0.000 0.355 832 F C 0.116 175.985 175.800 0.115 0.000 1.123 832 F CA -0.441 57.626 58.000 0.113 0.000 1.021 832 F CB 1.335 40.408 39.000 0.122 0.000 1.160 832 F HN 0.310 nan 8.300 nan 0.000 0.451 833 K N 2.600 123.132 120.400 0.221 0.000 2.422 833 K HA 0.423 4.754 4.320 0.019 0.000 0.251 833 K C -1.894 174.829 176.600 0.205 0.000 0.933 833 K CA -0.939 55.461 56.287 0.187 0.000 0.798 833 K CB 1.623 34.185 32.500 0.102 0.000 1.238 833 K HN 0.722 nan 8.250 nan 0.000 0.428 834 H N 1.228 120.370 119.070 0.119 0.000 2.547 834 H HA 0.527 5.095 4.556 0.020 0.000 0.342 834 H C 0.263 175.642 175.328 0.085 0.000 1.048 834 H CA 0.856 56.966 56.048 0.103 0.000 1.204 834 H CB 1.761 31.584 29.762 0.101 0.000 1.493 834 H HN 0.763 nan 8.280 nan 0.000 0.511 835 G N 4.148 112.690 108.800 -0.430 0.000 3.753 835 G HA2 -0.188 3.784 3.960 0.019 0.000 0.196 835 G HA3 -0.188 3.784 3.960 0.019 0.000 0.196 835 G C -0.667 174.170 174.900 -0.105 0.000 1.538 835 G CA -0.148 44.836 45.100 -0.194 0.000 1.040 835 G HN 0.609 nan 8.290 nan 0.000 0.427 836 D N 1.898 122.278 120.400 -0.034 0.000 2.345 836 D HA 0.449 5.101 4.640 0.019 0.000 0.247 836 D C -0.606 175.692 176.300 -0.004 0.000 1.108 836 D CA 0.009 54.020 54.000 0.019 0.000 0.894 836 D CB 1.605 42.438 40.800 0.056 0.000 1.203 836 D HN 0.207 nan 8.370 nan 0.000 0.430 837 D N 1.790 122.199 120.400 0.015 0.000 2.402 837 D HA 0.046 4.698 4.640 0.019 0.000 0.235 837 D C 0.717 177.038 176.300 0.034 0.000 1.226 837 D CA -0.372 53.635 54.000 0.011 0.000 0.918 837 D CB 0.409 41.213 40.800 0.006 0.000 1.043 837 D HN 0.091 nan 8.370 nan 0.000 0.506 838 L N 3.822 125.064 121.223 0.032 0.000 2.376 838 L HA 0.043 4.394 4.340 0.019 0.000 0.219 838 L C 2.366 179.248 176.870 0.020 0.000 1.133 838 L CA 0.746 55.613 54.840 0.045 0.000 0.816 838 L CB -0.253 41.830 42.059 0.039 0.000 0.933 838 L HN 0.387 nan 8.230 nan 0.000 0.449 839 R N -0.580 119.918 120.500 -0.003 0.000 2.080 839 R HA -0.185 4.166 4.340 0.019 0.000 0.236 839 R C 2.107 178.378 176.300 -0.050 0.000 1.137 839 R CA 1.730 57.805 56.100 -0.042 0.000 0.943 839 R CB -0.404 29.867 30.300 -0.047 0.000 0.846 839 R HN 0.523 nan 8.270 nan 0.000 0.431 840 Q N 0.282 120.071 119.800 -0.018 0.000 2.096 840 Q HA -0.200 4.152 4.340 0.019 0.000 0.204 840 Q C 1.681 177.690 176.000 0.016 0.000 0.982 840 Q CA 1.953 57.752 55.803 -0.007 0.000 0.850 840 Q CB -0.193 28.562 28.738 0.028 0.000 0.901 840 Q HN 0.371 nan 8.270 nan 0.000 0.422 841 D N 0.246 120.695 120.400 0.080 0.000 2.084 841 D HA -0.154 4.498 4.640 0.019 0.000 0.194 841 D C 1.883 178.170 176.300 -0.022 0.000 0.990 841 D CA 1.263 55.350 54.000 0.146 0.000 0.826 841 D CB -0.054 40.883 40.800 0.227 0.000 0.971 841 D HN 0.140 nan 8.370 nan 0.000 0.453 842 M N -0.178 119.389 119.600 -0.056 0.000 2.088 842 M HA -0.207 4.284 4.480 0.019 0.000 0.256 842 M C 1.919 178.103 176.300 -0.193 0.000 1.071 842 M CA 1.060 56.281 55.300 -0.132 0.000 1.097 842 M CB -0.358 32.155 32.600 -0.145 0.000 1.315 842 M HN 0.123 nan 8.290 nan 0.000 0.406 843 L N 0.351 121.465 121.223 -0.182 0.000 2.012 843 L HA -0.213 4.138 4.340 0.019 0.000 0.210 843 L C 2.349 179.104 176.870 -0.192 0.000 1.073 843 L CA 1.756 56.484 54.840 -0.186 0.000 0.748 843 L CB -1.100 40.866 42.059 -0.154 0.000 0.891 843 L HN 0.301 nan 8.230 nan 0.000 0.431 844 I N -1.309 119.127 120.570 -0.224 0.000 2.202 844 I HA -0.261 3.921 4.170 0.019 0.000 0.242 844 I C 2.430 178.315 176.117 -0.387 0.000 1.091 844 I CA 0.876 61.971 61.300 -0.341 0.000 1.368 844 I CB -0.960 36.714 38.000 -0.544 0.000 1.058 844 I HN 0.184 nan 8.210 nan 0.000 0.410 845 L N 0.395 121.398 121.223 -0.366 0.000 2.013 845 L HA -0.240 4.112 4.340 0.019 0.000 0.212 845 L C 2.594 179.313 176.870 -0.252 0.000 1.073 845 L CA 1.768 56.415 54.840 -0.321 0.000 0.753 845 L CB -1.693 40.181 42.059 -0.308 0.000 0.890 845 L HN 0.286 nan 8.230 nan 0.000 0.432 846 Q N -0.442 119.219 119.800 -0.231 0.000 2.170 846 Q HA -0.129 4.223 4.340 0.019 0.000 0.203 846 Q C 2.193 178.087 176.000 -0.177 0.000 0.976 846 Q CA 1.378 57.056 55.803 -0.207 0.000 0.858 846 Q CB -0.182 28.430 28.738 -0.211 0.000 0.907 846 Q HN 0.527 nan 8.270 nan 0.000 0.433 847 I N -0.702 119.763 120.570 -0.175 0.000 2.439 847 I HA -0.222 3.959 4.170 0.019 0.000 0.251 847 I C 1.354 177.351 176.117 -0.200 0.000 1.139 847 I CA 0.305 61.514 61.300 -0.151 0.000 1.438 847 I CB -0.149 37.784 38.000 -0.112 0.000 1.085 847 I HN 0.212 nan 8.210 nan 0.000 0.427 848 L N 0.571 121.659 121.223 -0.225 0.000 2.046 848 L HA -0.150 4.202 4.340 0.019 0.000 0.208 848 L C 2.578 179.326 176.870 -0.202 0.000 1.077 848 L CA 1.720 56.420 54.840 -0.234 0.000 0.747 848 L CB -0.839 41.093 42.059 -0.211 0.000 0.896 848 L HN 0.125 nan 8.230 nan 0.000 0.432 849 R N -0.778 119.625 120.500 -0.162 0.000 2.092 849 R HA -0.082 4.270 4.340 0.019 0.000 0.231 849 R C 2.273 178.559 176.300 -0.022 0.000 1.119 849 R CA 1.306 57.345 56.100 -0.101 0.000 0.970 849 R CB -0.405 29.788 30.300 -0.178 0.000 0.864 849 R HN 0.325 nan 8.270 nan 0.000 0.440 850 I N 0.472 120.990 120.570 -0.086 0.000 2.252 850 I HA -0.259 3.923 4.170 0.019 0.000 0.245 850 I C 2.426 178.362 176.117 -0.301 0.000 1.102 850 I CA 1.280 62.499 61.300 -0.135 0.000 1.385 850 I CB -0.136 37.802 38.000 -0.103 0.000 1.064 850 I HN 0.140 nan 8.210 nan 0.000 0.414 851 M N -0.115 119.237 119.600 -0.412 0.000 2.117 851 M HA -0.219 4.272 4.480 0.019 0.000 0.262 851 M C 2.193 177.945 176.300 -0.913 0.000 1.065 851 M CA 1.745 56.570 55.300 -0.791 0.000 1.114 851 M CB -0.416 31.662 32.600 -0.871 0.000 1.361 851 M HN 0.182 nan 8.290 nan 0.000 0.408 852 E N -0.593 119.360 120.200 -0.412 0.000 2.153 852 E HA -0.172 4.189 4.350 0.019 0.000 0.194 852 E C 2.090 178.684 176.600 -0.010 0.000 0.988 852 E CA 1.246 57.618 56.400 -0.046 0.000 0.811 852 E CB -0.072 29.659 29.700 0.050 0.000 0.746 852 E HN 0.347 nan 8.360 nan 0.000 0.466 853 S N 0.311 115.947 115.700 -0.105 0.000 2.406 853 S HA -0.033 4.449 4.470 0.019 0.000 0.228 853 S C 1.916 176.416 174.600 -0.167 0.000 1.020 853 S CA 0.329 58.454 58.200 -0.126 0.000 0.965 853 S CB -0.002 63.010 63.200 -0.312 0.000 0.798 853 S HN 0.167 nan 8.310 nan 0.000 0.488 854 I N 0.122 120.508 120.570 -0.307 0.000 2.394 854 I HA -0.130 4.051 4.170 0.019 0.000 0.251 854 I C 1.866 177.966 176.117 -0.028 0.000 1.136 854 I CA 0.749 61.850 61.300 -0.332 0.000 1.425 854 I CB -0.201 37.459 38.000 -0.565 0.000 1.079 854 I HN 0.427 nan 8.210 nan 0.000 0.425 855 W N 0.946 122.223 121.300 -0.040 0.000 2.453 855 W HA -0.078 4.594 4.660 0.019 0.000 0.289 855 W C 2.471 179.031 176.519 0.068 0.000 1.215 855 W CA 0.650 57.995 57.345 -0.000 0.000 1.297 855 W CB -0.940 28.498 29.460 -0.036 0.000 1.113 855 W HN 0.245 nan 8.180 nan 0.000 0.551 856 E N 0.380 120.755 120.200 0.292 0.000 2.110 856 E HA -0.208 4.154 4.350 0.019 0.000 0.193 856 E C 2.020 178.731 176.600 0.185 0.000 0.988 856 E CA 2.358 58.928 56.400 0.283 0.000 0.804 856 E CB -0.046 29.768 29.700 0.190 0.000 0.745 856 E HN 0.186 nan 8.360 nan 0.000 0.458 857 T N -2.005 112.627 114.554 0.130 0.000 2.962 857 T HA -0.074 4.287 4.350 0.019 0.000 0.270 857 T C 1.077 175.857 174.700 0.133 0.000 1.088 857 T CA 0.929 63.091 62.100 0.103 0.000 1.127 857 T CB -0.039 68.881 68.868 0.086 0.000 0.883 857 T HN 0.122 nan 8.240 nan 0.000 0.493 858 E N 0.689 120.999 120.200 0.183 0.000 2.815 858 E HA 0.381 4.743 4.350 0.019 0.000 0.211 858 E C -0.126 176.582 176.600 0.181 0.000 1.004 858 E CA -0.441 56.063 56.400 0.174 0.000 1.173 858 E CB 0.342 30.164 29.700 0.203 0.000 1.163 858 E HN 0.231 nan 8.360 nan 0.000 0.449 859 S N 0.582 116.413 115.700 0.219 0.000 3.462 859 S HA -0.207 4.275 4.470 0.019 0.000 0.370 859 S C -0.040 174.756 174.600 0.327 0.000 1.028 859 S CA 0.594 58.982 58.200 0.315 0.000 1.119 859 S CB -0.926 62.398 63.200 0.206 0.000 0.906 859 S HN 0.378 nan 8.310 nan 0.000 0.471 860 L N 1.329 122.698 121.223 0.242 0.000 2.313 860 L HA 0.533 4.884 4.340 0.019 0.000 0.283 860 L C -0.188 176.600 176.870 -0.136 0.000 1.013 860 L CA -0.599 54.246 54.840 0.009 0.000 0.816 860 L CB 1.597 43.603 42.059 -0.088 0.000 1.236 860 L HN 0.036 nan 8.230 nan 0.000 0.419 861 D N 3.924 124.084 120.400 -0.400 0.000 2.464 861 D HA 0.209 4.861 4.640 0.019 0.000 0.243 861 D C 0.096 176.277 176.300 -0.199 0.000 1.104 861 D CA -0.381 53.347 54.000 -0.453 0.000 0.883 861 D CB 1.127 41.366 40.800 -0.935 0.000 1.050 861 D HN 0.224 nan 8.370 nan 0.000 0.524 862 L N 3.284 124.434 121.223 -0.121 0.000 2.688 862 L HA 0.135 4.487 4.340 0.019 0.000 0.234 862 L C 0.560 177.433 176.870 0.006 0.000 1.192 862 L CA 0.015 54.779 54.840 -0.127 0.000 0.984 862 L CB -1.406 40.336 42.059 -0.527 0.000 1.232 862 L HN 0.655 nan 8.230 nan 0.000 0.465 863 C N 0.402 119.711 119.300 0.014 0.000 3.860 863 C HA -0.215 4.256 4.460 0.019 0.000 0.292 863 C C 1.396 176.478 174.990 0.154 0.000 1.445 863 C CA -0.225 58.829 59.018 0.059 0.000 2.040 863 C CB -3.231 24.545 27.740 0.060 0.000 1.314 863 C HN 0.309 nan 8.230 nan 0.000 0.678 864 L N -0.427 120.873 121.223 0.128 0.000 2.452 864 L HA 0.303 4.655 4.340 0.019 0.000 0.267 864 L C 0.536 177.547 176.870 0.236 0.000 1.188 864 L CA -0.201 54.737 54.840 0.165 0.000 0.821 864 L CB 0.193 42.209 42.059 -0.073 0.000 1.102 864 L HN 0.105 nan 8.230 nan 0.000 0.470 865 L N 4.479 125.948 121.223 0.409 0.000 2.504 865 L HA 0.323 4.675 4.340 0.019 0.000 0.249 865 L C -2.046 174.957 176.870 0.221 0.000 1.120 865 L CA -1.341 53.610 54.840 0.185 0.000 0.997 865 L CB 0.484 42.483 42.059 -0.099 0.000 1.349 865 L HN 0.300 nan 8.230 nan 0.000 0.439 866 P HA 0.137 nan 4.420 nan 0.000 0.247 866 P C -0.540 176.686 177.300 -0.124 0.000 1.756 866 P CA -0.440 62.643 63.100 -0.028 0.000 1.117 866 P CB -0.627 31.025 31.700 -0.080 0.000 1.869 867 Y N 0.307 120.606 120.300 -0.002 0.000 2.709 867 Y HA 0.322 4.883 4.550 0.020 0.000 0.348 867 Y C 1.078 176.903 175.900 -0.125 0.000 1.267 867 Y CA -0.870 57.167 58.100 -0.105 0.000 1.486 867 Y CB -0.490 37.887 38.460 -0.138 0.000 1.356 867 Y HN 0.337 nan 8.280 nan 0.000 0.639 868 G N 0.501 109.218 108.800 -0.138 0.000 2.398 868 G HA2 0.321 4.293 3.960 0.019 0.000 0.246 868 G HA3 0.321 4.293 3.960 0.019 0.000 0.246 868 G C -1.246 173.545 174.900 -0.182 0.000 1.289 868 G CA -0.151 44.790 45.100 -0.265 0.000 0.869 868 G HN 1.084 nan 8.290 nan 0.000 0.543 869 C N 4.366 123.648 119.300 -0.029 0.000 2.716 869 C HA 0.581 5.053 4.460 0.019 0.000 0.366 869 C C -1.017 174.022 174.990 0.081 0.000 1.073 869 C CA -0.980 58.057 59.018 0.032 0.000 1.260 869 C CB 0.102 27.869 27.740 0.044 0.000 1.755 869 C HN 0.605 nan 8.230 nan 0.000 0.475 870 I N 5.376 125.985 120.570 0.064 0.000 2.439 870 I HA 0.256 4.437 4.170 0.019 0.000 0.283 870 I C 0.469 176.602 176.117 0.026 0.000 1.023 870 I CA 0.195 61.534 61.300 0.066 0.000 1.100 870 I CB 1.691 39.669 38.000 -0.036 0.000 1.238 870 I HN 0.727 nan 8.210 nan 0.000 0.445 871 S N 3.547 119.285 115.700 0.064 0.000 2.531 871 S HA 0.200 4.682 4.470 0.019 0.000 0.279 871 S C 1.298 175.965 174.600 0.112 0.000 1.305 871 S CA -0.102 58.134 58.200 0.060 0.000 1.058 871 S CB 0.511 63.735 63.200 0.040 0.000 0.899 871 S HN 0.781 nan 8.310 nan 0.000 0.493 872 T N 1.832 116.462 114.554 0.126 0.000 3.015 872 T HA 0.498 4.860 4.350 0.019 0.000 0.250 872 T C 0.867 175.670 174.700 0.172 0.000 1.057 872 T CA 0.307 62.529 62.100 0.203 0.000 1.066 872 T CB 0.200 69.218 68.868 0.250 0.000 0.959 872 T HN 0.745 nan 8.240 nan 0.000 0.488 873 G N 0.476 109.356 108.800 0.134 0.000 2.664 873 G HA2 0.434 4.405 3.960 0.019 0.000 0.303 873 G HA3 0.434 4.405 3.960 0.019 0.000 0.303 873 G C -2.025 172.932 174.900 0.095 0.000 1.243 873 G CA -0.645 44.523 45.100 0.115 0.000 0.826 873 G HN 0.084 nan 8.290 nan 0.000 0.498 874 D N 0.932 121.393 120.400 0.102 0.000 2.358 874 D HA 0.274 4.925 4.640 0.019 0.000 0.258 874 D C 0.837 177.167 176.300 0.049 0.000 1.223 874 D CA 0.234 54.282 54.000 0.080 0.000 0.886 874 D CB 0.319 41.174 40.800 0.092 0.000 1.120 874 D HN 0.488 nan 8.370 nan 0.000 0.482 875 K N 1.309 121.700 120.400 -0.015 0.000 3.104 875 K HA -0.260 4.072 4.320 0.019 0.000 0.285 875 K C 0.147 176.656 176.600 -0.151 0.000 1.136 875 K CA 0.588 56.804 56.287 -0.118 0.000 0.842 875 K CB -1.702 30.666 32.500 -0.220 0.000 1.217 875 K HN 0.554 nan 8.250 nan 0.000 0.467 876 I N -1.276 119.304 120.570 0.017 0.000 2.785 876 I HA 0.649 4.831 4.170 0.019 0.000 0.302 876 I C 0.301 176.483 176.117 0.109 0.000 1.069 876 I CA 0.259 61.632 61.300 0.122 0.000 1.045 876 I CB 2.177 40.346 38.000 0.280 0.000 1.236 876 I HN 0.187 nan 8.210 nan 0.000 0.429 877 G N 6.050 114.914 108.800 0.107 0.000 2.345 877 G HA2 0.246 4.218 3.960 0.019 0.000 0.285 877 G HA3 0.246 4.218 3.960 0.019 0.000 0.285 877 G C -1.537 173.233 174.900 -0.217 0.000 1.297 877 G CA -0.435 44.669 45.100 0.007 0.000 0.875 877 G HN 0.756 nan 8.290 nan 0.000 0.506 878 M N -0.759 118.626 119.600 -0.358 0.000 2.644 878 M HA 0.911 5.403 4.480 0.019 0.000 0.316 878 M C -1.207 174.979 176.300 -0.190 0.000 1.200 878 M CA -0.893 54.097 55.300 -0.517 0.000 0.944 878 M CB 2.176 34.328 32.600 -0.746 0.000 1.691 878 M HN 0.436 nan 8.290 nan 0.000 0.471 879 I N 0.862 121.332 120.570 -0.168 0.000 2.533 879 I HA 0.280 4.462 4.170 0.019 0.000 0.290 879 I C -0.435 175.553 176.117 -0.215 0.000 1.056 879 I CA -0.502 60.735 61.300 -0.105 0.000 1.057 879 I CB 2.436 40.395 38.000 -0.069 0.000 1.240 879 I HN 0.829 nan 8.210 nan 0.000 0.423 880 E N 6.545 126.488 120.200 -0.428 0.000 2.344 880 E HA 0.271 4.632 4.350 0.019 0.000 0.270 880 E C -0.853 175.570 176.600 -0.295 0.000 1.021 880 E CA -0.398 55.648 56.400 -0.590 0.000 0.887 880 E CB 0.850 29.963 29.700 -0.979 0.000 0.997 880 E HN 0.441 nan 8.360 nan 0.000 0.429 881 I N 4.789 125.213 120.570 -0.243 0.000 2.416 881 I HA 0.026 4.208 4.170 0.019 0.000 0.288 881 I C -0.239 175.794 176.117 -0.139 0.000 1.051 881 I CA -0.542 60.593 61.300 -0.275 0.000 1.375 881 I CB 1.269 38.958 38.000 -0.518 0.000 1.407 881 I HN 0.344 nan 8.210 nan 0.000 0.516 882 V N 7.892 127.752 119.914 -0.090 0.000 2.408 882 V HA 0.138 4.270 4.120 0.019 0.000 0.267 882 V C 0.543 176.694 176.094 0.096 0.000 1.047 882 V CA -0.769 61.502 62.300 -0.050 0.000 0.937 882 V CB 0.609 32.272 31.823 -0.266 0.000 0.999 882 V HN 0.544 nan 8.190 nan 0.000 0.472 883 K N 3.028 123.486 120.400 0.096 0.000 2.319 883 K HA 0.113 4.445 4.320 0.019 0.000 0.265 883 K C 0.346 177.062 176.600 0.194 0.000 1.000 883 K CA 0.049 56.428 56.287 0.152 0.000 0.943 883 K CB 0.155 32.730 32.500 0.124 0.000 0.950 883 K HN 0.742 nan 8.250 nan 0.000 0.485 884 D N -1.007 119.523 120.400 0.218 0.000 2.723 884 D HA -0.197 4.455 4.640 0.019 0.000 0.236 884 D C -0.838 175.645 176.300 0.304 0.000 1.138 884 D CA 1.342 55.480 54.000 0.229 0.000 0.676 884 D CB -1.003 39.904 40.800 0.178 0.000 1.069 884 D HN 0.617 nan 8.370 nan 0.000 0.430 885 A N -0.392 122.617 122.820 0.316 0.000 2.365 885 A HA 0.819 5.151 4.320 0.019 0.000 0.318 885 A C 0.376 178.084 177.584 0.207 0.000 1.091 885 A CA -0.315 51.912 52.037 0.317 0.000 0.763 885 A CB 1.705 20.959 19.000 0.423 0.000 1.248 885 A HN 0.021 nan 8.150 nan 0.000 0.442 886 T N 0.118 114.708 114.554 0.061 0.000 2.907 886 T HA 0.599 4.961 4.350 0.019 0.000 0.290 886 T C 0.057 174.622 174.700 -0.225 0.000 1.066 886 T CA -0.486 61.562 62.100 -0.086 0.000 1.012 886 T CB 1.606 70.362 68.868 -0.186 0.000 1.184 886 T HN 0.583 nan 8.240 nan 0.000 0.522 887 T N 1.221 115.644 114.554 -0.217 0.000 2.913 887 T HA 0.298 4.660 4.350 0.019 0.000 0.287 887 T C 1.556 176.101 174.700 -0.259 0.000 1.008 887 T CA -0.705 61.250 62.100 -0.240 0.000 1.067 887 T CB 0.139 68.902 68.868 -0.175 0.000 0.996 887 T HN 0.399 nan 8.240 nan 0.000 0.513 888 I N 2.259 122.699 120.570 -0.217 0.000 2.315 888 I HA -0.090 4.091 4.170 0.019 0.000 0.248 888 I C 2.619 178.670 176.117 -0.111 0.000 1.117 888 I CA 1.196 62.410 61.300 -0.143 0.000 1.404 888 I CB -1.643 36.354 38.000 -0.006 0.000 1.071 888 I HN 0.715 nan 8.210 nan 0.000 0.419 889 A N 0.955 123.718 122.820 -0.094 0.000 1.898 889 A HA -0.208 4.124 4.320 0.019 0.000 0.216 889 A C 2.373 179.941 177.584 -0.026 0.000 1.181 889 A CA 1.494 53.511 52.037 -0.034 0.000 0.620 889 A CB -0.449 18.552 19.000 0.002 0.000 0.819 889 A HN 0.319 nan 8.150 nan 0.000 0.442 890 K N -0.417 119.939 120.400 -0.073 0.000 2.097 890 K HA -0.003 4.328 4.320 0.019 0.000 0.206 890 K C 1.719 178.268 176.600 -0.085 0.000 1.049 890 K CA 1.362 57.609 56.287 -0.066 0.000 0.933 890 K CB -0.332 32.117 32.500 -0.085 0.000 0.717 890 K HN 0.532 nan 8.250 nan 0.000 0.442 891 I N 1.137 121.602 120.570 -0.176 0.000 2.208 891 I HA -0.325 3.857 4.170 0.019 0.000 0.245 891 I C 2.533 178.610 176.117 -0.068 0.000 1.097 891 I CA 1.179 62.349 61.300 -0.215 0.000 1.363 891 I CB -0.195 37.551 38.000 -0.423 0.000 1.051 891 I HN 0.238 nan 8.210 nan 0.000 0.413 892 Q N 0.259 120.036 119.800 -0.039 0.000 2.016 892 Q HA -0.241 4.110 4.340 0.019 0.000 0.200 892 Q C 2.178 178.189 176.000 0.018 0.000 0.978 892 Q CA 1.341 57.150 55.803 0.011 0.000 0.833 892 Q CB -0.608 28.168 28.738 0.064 0.000 0.895 892 Q HN 0.503 nan 8.270 nan 0.000 0.427 893 Q N 0.378 120.195 119.800 0.027 0.000 2.248 893 Q HA -0.160 4.191 4.340 0.019 0.000 0.208 893 Q C 1.999 178.009 176.000 0.016 0.000 0.984 893 Q CA 1.409 57.229 55.803 0.028 0.000 0.875 893 Q CB 0.022 28.783 28.738 0.039 0.000 0.910 893 Q HN 0.252 nan 8.270 nan 0.000 0.433 894 S N -0.320 115.390 115.700 0.018 0.000 2.343 894 S HA -0.100 4.381 4.470 0.019 0.000 0.212 894 S C 1.704 176.326 174.600 0.037 0.000 1.033 894 S CA 1.920 60.141 58.200 0.036 0.000 1.004 894 S CB -0.356 62.882 63.200 0.063 0.000 0.977 894 S HN 0.615 nan 8.310 nan 0.000 0.427 895 T N -0.489 114.093 114.554 0.047 0.000 3.252 895 T HA 0.343 4.704 4.350 0.019 0.000 0.250 895 T C 0.920 175.623 174.700 0.004 0.000 1.123 895 T CA 0.288 62.416 62.100 0.045 0.000 1.006 895 T CB 0.276 69.203 68.868 0.099 0.000 0.992 895 T HN 0.239 nan 8.240 nan 0.000 0.547 896 V N -0.465 119.438 119.914 -0.017 0.000 5.259 896 V HA 0.758 4.889 4.120 0.019 0.000 0.124 896 V C 0.830 176.894 176.094 -0.050 0.000 0.982 896 V CA 0.019 62.283 62.300 -0.060 0.000 1.320 896 V CB 0.133 31.893 31.823 -0.106 0.000 2.066 896 V HN 0.602 nan 8.190 nan 0.000 0.512 897 G N 1.530 110.305 108.800 -0.042 0.000 2.881 897 G HA2 0.014 3.986 3.960 0.019 0.000 0.597 897 G HA3 0.014 3.986 3.960 0.019 0.000 0.597 897 G C -0.343 174.550 174.900 -0.012 0.000 1.188 897 G CA -0.241 44.849 45.100 -0.017 0.000 1.218 897 G HN 0.772 nan 8.290 nan 0.000 0.544 898 N N -0.738 117.989 118.700 0.045 0.000 2.701 898 N HA -0.216 4.536 4.740 0.019 0.000 0.250 898 N C 0.678 176.275 175.510 0.146 0.000 1.046 898 N CA 2.515 55.651 53.050 0.143 0.000 0.733 898 N CB -0.957 37.605 38.487 0.125 0.000 0.973 898 N HN 1.666 nan 8.380 nan 0.000 0.541 899 T N -6.652 107.804 114.554 -0.163 0.000 2.883 899 T HA 0.673 5.035 4.350 0.019 0.000 0.296 899 T C 1.107 175.094 174.700 -1.188 0.000 1.117 899 T CA -0.505 61.291 62.100 -0.507 0.000 1.006 899 T CB 1.876 70.556 68.868 -0.314 0.000 1.191 899 T HN 0.018 nan 8.240 nan 0.000 0.508 900 G N -0.301 107.703 108.800 -1.328 0.000 2.920 900 G HA2 0.389 4.361 3.960 0.019 0.000 0.208 900 G HA3 0.389 4.361 3.960 0.019 0.000 0.208 900 G C 0.803 174.738 174.900 -1.607 0.000 1.159 900 G CA 0.011 44.154 45.100 -1.595 0.000 0.784 900 G HN 1.221 nan 8.290 nan 0.000 0.535 901 A N 0.975 123.169 122.820 -1.044 0.000 3.030 901 A HA 0.500 4.831 4.320 0.019 0.000 0.273 901 A C -0.325 176.813 177.584 -0.743 0.000 1.841 901 A CA -0.512 51.092 52.037 -0.722 0.000 1.479 901 A CB -1.087 17.651 19.000 -0.436 0.000 1.048 901 A HN 0.263 nan 8.150 nan 0.000 0.612 902 F N 1.404 120.945 119.950 -0.682 0.000 2.466 902 F HA 0.191 4.730 4.527 0.020 0.000 0.363 902 F C 0.978 176.232 175.800 -0.911 0.000 1.109 902 F CA -0.101 57.294 58.000 -1.008 0.000 1.161 902 F CB 0.662 38.605 39.000 -1.762 0.000 1.117 902 F HN 0.348 nan 8.300 nan 0.000 0.539 903 K N 2.653 122.847 120.400 -0.344 0.000 2.249 903 K HA 0.084 4.416 4.320 0.019 0.000 0.280 903 K C 0.034 176.587 176.600 -0.079 0.000 1.033 903 K CA -0.501 55.668 56.287 -0.195 0.000 0.946 903 K CB 0.969 33.377 32.500 -0.154 0.000 1.005 903 K HN 0.526 nan 8.250 nan 0.000 0.469 904 D N 2.625 123.000 120.400 -0.041 0.000 2.234 904 D HA -0.088 4.564 4.640 0.019 0.000 0.205 904 D C 1.065 176.970 176.300 -0.659 0.000 0.962 904 D CA 1.044 54.989 54.000 -0.093 0.000 0.855 904 D CB 0.284 40.983 40.800 -0.169 0.000 0.951 904 D HN 0.620 nan 8.370 nan 0.000 0.500 905 E N 0.156 119.849 120.200 -0.846 0.000 2.106 905 E HA -0.115 4.247 4.350 0.019 0.000 0.192 905 E C 2.039 178.078 176.600 -0.935 0.000 0.984 905 E CA 0.369 56.111 56.400 -1.097 0.000 0.806 905 E CB 0.165 29.467 29.700 -0.664 0.000 0.750 905 E HN 0.000 nan 8.360 nan 0.000 0.458 906 V N 1.584 121.205 119.914 -0.488 0.000 2.236 906 V HA -0.365 3.767 4.120 0.019 0.000 0.255 906 V C 2.322 178.427 176.094 0.019 0.000 1.068 906 V CA 1.944 64.151 62.300 -0.154 0.000 1.044 906 V CB -0.599 31.200 31.823 -0.040 0.000 0.653 906 V HN 0.368 nan 8.190 nan 0.000 0.448 907 L N -0.070 121.179 121.223 0.043 0.000 1.943 907 L HA -0.244 4.108 4.340 0.019 0.000 0.215 907 L C 2.639 179.629 176.870 0.201 0.000 1.074 907 L CA 2.330 57.234 54.840 0.108 0.000 0.759 907 L CB -0.714 41.370 42.059 0.042 0.000 0.888 907 L HN 0.468 nan 8.230 nan 0.000 0.433 908 N N -0.506 118.300 118.700 0.177 0.000 2.184 908 N HA -0.259 4.492 4.740 0.019 0.000 0.190 908 N C 1.673 177.418 175.510 0.390 0.000 1.011 908 N CA 1.701 54.914 53.050 0.272 0.000 0.867 908 N CB -0.229 38.448 38.487 0.317 0.000 0.993 908 N HN 0.522 nan 8.380 nan 0.000 0.433 909 H N -2.221 116.999 119.070 0.250 0.000 2.270 909 H HA -0.178 4.389 4.556 0.020 0.000 0.299 909 H C 1.773 177.217 175.328 0.193 0.000 1.077 909 H CA 1.504 57.661 56.048 0.181 0.000 1.294 909 H CB -0.354 29.503 29.762 0.158 0.000 1.371 909 H HN 0.358 nan 8.280 nan 0.000 0.491 910 W N 1.620 123.046 121.300 0.211 0.000 2.342 910 W HA -0.205 4.467 4.660 0.020 0.000 0.297 910 W C 1.912 178.510 176.519 0.132 0.000 1.213 910 W CA 1.255 58.678 57.345 0.131 0.000 1.251 910 W CB -0.409 29.110 29.460 0.097 0.000 1.136 910 W HN 0.071 nan 8.180 nan 0.000 0.526 911 L N 0.760 122.186 121.223 0.339 0.000 2.046 911 L HA -0.221 4.131 4.340 0.019 0.000 0.208 911 L C 2.531 179.546 176.870 0.242 0.000 1.077 911 L CA 1.987 56.963 54.840 0.228 0.000 0.747 911 L CB -0.961 41.265 42.059 0.278 0.000 0.896 911 L HN -0.126 nan 8.230 nan 0.000 0.432 912 K N 0.267 120.820 120.400 0.255 0.000 2.062 912 K HA -0.187 4.144 4.320 0.019 0.000 0.205 912 K C 2.004 178.559 176.600 -0.075 0.000 1.051 912 K CA 1.389 57.666 56.287 -0.016 0.000 0.941 912 K CB -0.207 32.098 32.500 -0.326 0.000 0.719 912 K HN 0.226 nan 8.250 nan 0.000 0.440 913 E N 0.041 120.189 120.200 -0.088 0.000 2.160 913 E HA -0.176 4.186 4.350 0.019 0.000 0.195 913 E C 0.760 177.227 176.600 -0.223 0.000 0.991 913 E CA 0.992 57.307 56.400 -0.141 0.000 0.810 913 E CB 0.201 29.832 29.700 -0.115 0.000 0.742 913 E HN 0.136 nan 8.360 nan 0.000 0.466 914 K N 0.034 120.227 120.400 -0.344 0.000 2.358 914 K HA 0.173 4.505 4.320 0.019 0.000 0.197 914 K C 0.036 176.522 176.600 -0.190 0.000 1.025 914 K CA 0.019 56.076 56.287 -0.383 0.000 1.104 914 K CB 1.170 33.187 32.500 -0.805 0.000 0.855 914 K HN -0.144 nan 8.250 nan 0.000 0.531 915 S N 2.398 118.050 115.700 -0.081 0.000 2.438 915 S HA 0.235 4.716 4.470 0.019 0.000 0.293 915 S C -1.760 172.836 174.600 -0.006 0.000 1.141 915 S CA -1.203 57.002 58.200 0.009 0.000 1.080 915 S CB 1.735 65.029 63.200 0.157 0.000 0.978 915 S HN -0.015 nan 8.310 nan 0.000 0.479 916 P HA -0.007 nan 4.420 nan 0.000 0.213 916 P C 0.675 177.974 177.300 -0.002 0.000 1.170 916 P CA 0.835 63.929 63.100 -0.011 0.000 0.889 916 P CB -0.163 31.534 31.700 -0.006 0.000 0.782 917 T N -3.052 111.513 114.554 0.018 0.000 2.927 917 T HA 0.275 4.637 4.350 0.019 0.000 0.281 917 T C 0.934 175.671 174.700 0.061 0.000 0.998 917 T CA -0.698 61.418 62.100 0.026 0.000 1.019 917 T CB 1.545 70.429 68.868 0.025 0.000 1.061 917 T HN -0.078 nan 8.240 nan 0.000 0.518 918 E N -0.159 120.076 120.200 0.058 0.000 2.435 918 E HA -0.057 4.305 4.350 0.019 0.000 0.195 918 E C 1.674 178.369 176.600 0.157 0.000 1.029 918 E CA 0.354 56.822 56.400 0.114 0.000 0.865 918 E CB 0.171 29.899 29.700 0.047 0.000 0.833 918 E HN 0.836 nan 8.360 nan 0.000 0.510 919 E N 0.649 120.906 120.200 0.095 0.000 2.107 919 E HA -0.129 4.233 4.350 0.019 0.000 0.191 919 E C 1.813 178.459 176.600 0.077 0.000 0.982 919 E CA 0.799 57.245 56.400 0.077 0.000 0.809 919 E CB 0.280 30.009 29.700 0.047 0.000 0.756 919 E HN 0.052 nan 8.360 nan 0.000 0.459 920 K N -0.201 120.247 120.400 0.080 0.000 2.025 920 K HA -0.132 4.200 4.320 0.019 0.000 0.207 920 K C 1.976 178.630 176.600 0.089 0.000 1.049 920 K CA 1.114 57.442 56.287 0.068 0.000 0.933 920 K CB -0.245 32.288 32.500 0.056 0.000 0.714 920 K HN 0.111 nan 8.250 nan 0.000 0.438 921 F N 2.508 122.457 119.950 -0.001 0.000 2.126 921 F HA -0.249 4.290 4.527 0.020 0.000 0.299 921 F C 2.281 178.090 175.800 0.015 0.000 1.096 921 F CA 1.494 59.492 58.000 -0.002 0.000 1.255 921 F CB 0.023 39.014 39.000 -0.015 0.000 0.997 921 F HN 0.009 nan 8.300 nan 0.000 0.479 922 Q N 0.486 120.309 119.800 0.038 0.000 2.079 922 Q HA -0.107 4.244 4.340 0.019 0.000 0.200 922 Q C 2.541 178.510 176.000 -0.051 0.000 0.974 922 Q CA 1.526 57.316 55.803 -0.022 0.000 0.840 922 Q CB -1.081 27.717 28.738 0.100 0.000 0.898 922 Q HN 0.547 nan 8.270 nan 0.000 0.430 923 A N 0.879 123.689 122.820 -0.015 0.000 1.930 923 A HA -0.007 4.324 4.320 0.019 0.000 0.217 923 A C 2.293 179.866 177.584 -0.018 0.000 1.175 923 A CA 1.638 53.672 52.037 -0.005 0.000 0.627 923 A CB -0.533 18.469 19.000 0.004 0.000 0.815 923 A HN 0.342 nan 8.150 nan 0.000 0.443 924 A N -0.611 122.172 122.820 -0.062 0.000 1.969 924 A HA 0.044 4.375 4.320 0.019 0.000 0.218 924 A C 2.164 179.706 177.584 -0.071 0.000 1.169 924 A CA 1.701 53.708 52.037 -0.050 0.000 0.635 924 A CB -0.672 18.282 19.000 -0.077 0.000 0.810 924 A HN 0.352 nan 8.150 nan 0.000 0.445 925 V N -0.329 119.446 119.914 -0.232 0.000 2.453 925 V HA -0.175 3.956 4.120 0.019 0.000 0.247 925 V C 2.497 178.642 176.094 0.085 0.000 1.048 925 V CA 2.167 64.351 62.300 -0.194 0.000 1.049 925 V CB -0.511 31.022 31.823 -0.482 0.000 0.672 925 V HN 0.704 nan 8.190 nan 0.000 0.457 926 E N 0.599 120.859 120.200 0.100 0.000 2.110 926 E HA -0.244 4.118 4.350 0.019 0.000 0.193 926 E C 2.310 179.048 176.600 0.229 0.000 0.988 926 E CA 1.532 58.050 56.400 0.197 0.000 0.804 926 E CB -0.193 29.571 29.700 0.107 0.000 0.745 926 E HN 0.449 nan 8.360 nan 0.000 0.458 927 R N -1.141 119.446 120.500 0.145 0.000 2.075 927 R HA -0.083 4.269 4.340 0.019 0.000 0.232 927 R C 2.165 178.588 176.300 0.206 0.000 1.126 927 R CA 1.326 57.512 56.100 0.143 0.000 0.963 927 R CB -0.480 29.882 30.300 0.104 0.000 0.858 927 R HN 0.277 nan 8.270 nan 0.000 0.435 928 F N 0.452 120.446 119.950 0.073 0.000 2.069 928 F HA -0.244 4.295 4.527 0.020 0.000 0.298 928 F C 1.903 177.770 175.800 0.112 0.000 1.113 928 F CA 1.741 59.772 58.000 0.051 0.000 1.214 928 F CB -0.413 38.569 39.000 -0.030 0.000 0.978 928 F HN -0.190 nan 8.300 nan 0.000 0.474 929 V N -0.544 119.566 119.914 0.327 0.000 2.287 929 V HA -0.360 3.772 4.120 0.019 0.000 0.248 929 V C 2.080 178.239 176.094 0.108 0.000 1.053 929 V CA 2.295 64.760 62.300 0.274 0.000 1.027 929 V CB -1.125 30.887 31.823 0.315 0.000 0.646 929 V HN 0.412 nan 8.190 nan 0.000 0.447 930 Y N 1.230 121.548 120.300 0.030 0.000 2.163 930 Y HA -0.222 4.340 4.550 0.019 0.000 0.288 930 Y C 2.952 178.807 175.900 -0.075 0.000 1.136 930 Y CA 1.900 59.963 58.100 -0.062 0.000 1.147 930 Y CB -0.447 37.965 38.460 -0.080 0.000 0.987 930 Y HN 0.394 nan 8.280 nan 0.000 0.509 931 S N -1.508 114.267 115.700 0.126 0.000 2.382 931 S HA -0.262 4.220 4.470 0.019 0.000 0.228 931 S C 2.163 176.851 174.600 0.147 0.000 1.027 931 S CA 1.112 59.403 58.200 0.150 0.000 0.991 931 S CB -1.353 61.954 63.200 0.178 0.000 0.823 931 S HN 0.589 nan 8.310 nan 0.000 0.469 932 C N 2.094 121.365 119.300 -0.049 0.000 2.432 932 C HA 0.162 4.634 4.460 0.019 0.000 0.277 932 C C 3.186 178.288 174.990 0.187 0.000 1.249 932 C CA 0.901 59.925 59.018 0.010 0.000 1.725 932 C CB -1.732 25.865 27.740 -0.239 0.000 2.028 932 C HN 0.702 nan 8.230 nan 0.000 0.477 933 A N 0.523 123.375 122.820 0.053 0.000 1.865 933 A HA 0.034 4.366 4.320 0.019 0.000 0.217 933 A C 2.488 179.926 177.584 -0.242 0.000 1.191 933 A CA 2.370 54.238 52.037 -0.282 0.000 0.623 933 A CB -1.644 17.006 19.000 -0.583 0.000 0.826 933 A HN 0.700 nan 8.150 nan 0.000 0.444 934 G N -1.612 107.053 108.800 -0.225 0.000 2.491 934 G HA2 -0.282 3.690 3.960 0.019 0.000 0.218 934 G HA3 -0.282 3.690 3.960 0.019 0.000 0.218 934 G C 1.483 176.358 174.900 -0.043 0.000 1.180 934 G CA 1.363 46.337 45.100 -0.210 0.000 0.774 934 G HN 0.574 nan 8.290 nan 0.000 0.562 935 Y N -0.082 120.257 120.300 0.064 0.000 2.373 935 Y HA -0.053 4.509 4.550 0.020 0.000 0.293 935 Y C 3.098 178.999 175.900 0.001 0.000 1.129 935 Y CA 0.600 58.726 58.100 0.044 0.000 1.226 935 Y CB -0.319 38.181 38.460 0.067 0.000 1.000 935 Y HN 0.232 nan 8.280 nan 0.000 0.549 936 C N -1.216 118.141 119.300 0.095 0.000 2.446 936 C HA -0.116 4.356 4.460 0.019 0.000 0.277 936 C C 2.686 177.583 174.990 -0.156 0.000 1.275 936 C CA 0.895 59.793 59.018 -0.201 0.000 1.727 936 C CB -1.000 26.466 27.740 -0.458 0.000 2.010 936 C HN 0.345 nan 8.230 nan 0.000 0.486 937 V N 1.452 121.359 119.914 -0.011 0.000 2.255 937 V HA -0.145 3.986 4.120 0.019 0.000 0.243 937 V C 2.739 179.008 176.094 0.291 0.000 1.038 937 V CA 2.176 64.566 62.300 0.149 0.000 1.008 937 V CB -1.520 30.297 31.823 -0.009 0.000 0.645 937 V HN 0.551 nan 8.190 nan 0.000 0.449 938 A N -0.339 122.609 122.820 0.214 0.000 1.873 938 A HA -0.301 4.031 4.320 0.019 0.000 0.218 938 A C 2.417 180.075 177.584 0.124 0.000 1.193 938 A CA 2.879 54.984 52.037 0.113 0.000 0.629 938 A CB -1.269 17.725 19.000 -0.010 0.000 0.826 938 A HN 0.467 nan 8.150 nan 0.000 0.447 939 T N -1.264 113.383 114.554 0.156 0.000 2.720 939 T HA -0.130 4.232 4.350 0.019 0.000 0.268 939 T C 1.556 176.444 174.700 0.313 0.000 1.037 939 T CA 1.697 63.918 62.100 0.202 0.000 1.144 939 T CB -0.383 68.570 68.868 0.141 0.000 0.864 939 T HN 0.491 nan 8.240 nan 0.000 0.444 940 F N 1.560 121.685 119.950 0.293 0.000 2.075 940 F HA -0.082 4.457 4.527 0.019 0.000 0.297 940 F C 2.216 178.255 175.800 0.398 0.000 1.113 940 F CA 0.900 59.157 58.000 0.428 0.000 1.218 940 F CB -0.872 38.466 39.000 0.562 0.000 0.984 940 F HN -0.079 nan 8.300 nan 0.000 0.472 941 V N 1.010 120.938 119.914 0.022 0.000 2.287 941 V HA -0.318 3.814 4.120 0.019 0.000 0.248 941 V C 2.525 178.585 176.094 -0.056 0.000 1.053 941 V CA 2.224 64.456 62.300 -0.114 0.000 1.027 941 V CB -0.820 31.012 31.823 0.014 0.000 0.646 941 V HN 0.401 nan 8.190 nan 0.000 0.447 942 L N 0.188 121.451 121.223 0.066 0.000 2.376 942 L HA 0.144 4.496 4.340 0.019 0.000 0.219 942 L C 1.649 178.656 176.870 0.227 0.000 1.133 942 L CA 1.034 55.976 54.840 0.170 0.000 0.816 942 L CB -0.647 41.496 42.059 0.140 0.000 0.933 942 L HN 0.590 nan 8.230 nan 0.000 0.449 943 G N 1.295 110.196 108.800 0.167 0.000 2.225 943 G HA2 -0.276 3.696 3.960 0.019 0.000 0.264 943 G HA3 -0.276 3.696 3.960 0.019 0.000 0.264 943 G C 0.336 175.229 174.900 -0.013 0.000 1.060 943 G CA 0.459 45.509 45.100 -0.082 0.000 0.833 943 G HN 0.527 nan 8.290 nan 0.000 0.498 944 I N -3.573 117.079 120.570 0.137 0.000 3.658 944 I HA 0.585 4.767 4.170 0.019 0.000 0.328 944 I C 1.580 177.839 176.117 0.236 0.000 1.567 944 I CA 0.225 61.638 61.300 0.188 0.000 1.078 944 I CB 0.324 38.479 38.000 0.258 0.000 1.267 944 I HN 0.041 nan 8.210 nan 0.000 0.495 945 G N 0.103 109.054 108.800 0.252 0.000 2.403 945 G HA2 -0.156 3.815 3.960 0.019 0.000 0.216 945 G HA3 -0.156 3.815 3.960 0.019 0.000 0.216 945 G C 0.605 175.662 174.900 0.263 0.000 1.154 945 G CA 0.332 45.629 45.100 0.328 0.000 0.784 945 G HN 0.479 nan 8.290 nan 0.000 0.538 946 D N 1.215 121.740 120.400 0.208 0.000 2.416 946 D HA 0.148 4.799 4.640 0.019 0.000 0.240 946 D C 0.023 176.363 176.300 0.067 0.000 1.250 946 D CA 0.100 54.235 54.000 0.225 0.000 0.967 946 D CB 0.193 41.160 40.800 0.278 0.000 1.059 946 D HN 0.015 nan 8.370 nan 0.000 0.512 947 R N 1.799 122.216 120.500 -0.139 0.000 2.854 947 R HA 0.362 4.714 4.340 0.019 0.000 0.271 947 R C -0.392 175.385 176.300 -0.872 0.000 0.996 947 R CA -0.877 54.749 56.100 -0.789 0.000 0.961 947 R CB 1.058 31.123 30.300 -0.391 0.000 1.182 947 R HN 0.449 nan 8.270 nan 0.000 0.479 948 H N 0.216 118.869 119.070 -0.696 0.000 2.502 948 H HA 0.290 4.858 4.556 0.020 0.000 0.327 948 H C 0.818 175.958 175.328 -0.314 0.000 1.099 948 H CA -0.702 54.989 56.048 -0.596 0.000 1.323 948 H CB 0.713 30.036 29.762 -0.731 0.000 1.450 948 H HN 0.367 nan 8.280 nan 0.000 0.502 949 N N 1.605 120.240 118.700 -0.108 0.000 2.137 949 N HA -0.188 4.564 4.740 0.019 0.000 0.190 949 N C 0.977 176.410 175.510 -0.129 0.000 1.017 949 N CA 1.350 54.332 53.050 -0.112 0.000 0.859 949 N CB -0.111 38.316 38.487 -0.100 0.000 1.002 949 N HN 0.701 nan 8.380 nan 0.000 0.428 950 D N 0.294 120.633 120.400 -0.102 0.000 2.263 950 D HA -0.038 4.613 4.640 0.019 0.000 0.208 950 D C 0.495 176.684 176.300 -0.185 0.000 0.971 950 D CA 0.759 54.683 54.000 -0.127 0.000 0.867 950 D CB -0.264 40.467 40.800 -0.114 0.000 0.929 950 D HN 0.387 nan 8.370 nan 0.000 0.492 951 N N -1.200 117.381 118.700 -0.199 0.000 2.214 951 N HA 0.219 4.971 4.740 0.019 0.000 0.214 951 N C -0.670 174.600 175.510 -0.399 0.000 1.132 951 N CA -0.134 52.763 53.050 -0.255 0.000 0.856 951 N CB 1.020 39.416 38.487 -0.151 0.000 1.020 951 N HN 0.063 nan 8.380 nan 0.000 0.509 952 I N 0.793 121.118 120.570 -0.409 0.000 2.406 952 I HA 0.335 4.517 4.170 0.019 0.000 0.290 952 I C -0.402 175.433 176.117 -0.469 0.000 0.999 952 I CA -0.292 60.694 61.300 -0.523 0.000 1.124 952 I CB 1.624 39.364 38.000 -0.435 0.000 1.289 952 I HN -0.138 nan 8.210 nan 0.000 0.441 953 M N 6.235 125.411 119.600 -0.706 0.000 2.664 953 M HA 0.628 5.120 4.480 0.019 0.000 0.314 953 M C -1.098 174.771 176.300 -0.718 0.000 1.200 953 M CA -0.841 53.955 55.300 -0.841 0.000 0.916 953 M CB 2.949 34.696 32.600 -1.422 0.000 1.717 953 M HN 0.510 nan 8.290 nan 0.000 0.470 954 I N 0.798 121.131 120.570 -0.394 0.000 2.686 954 I HA 0.421 4.603 4.170 0.019 0.000 0.295 954 I C -0.307 175.919 176.117 0.181 0.000 1.114 954 I CA -0.213 61.046 61.300 -0.069 0.000 1.038 954 I CB 2.415 40.387 38.000 -0.046 0.000 1.238 954 I HN 0.810 nan 8.210 nan 0.000 0.420 955 T N 1.105 115.881 114.554 0.371 0.000 2.922 955 T HA 0.349 4.711 4.350 0.019 0.000 0.285 955 T C 0.720 175.704 174.700 0.473 0.000 1.005 955 T CA -0.512 61.839 62.100 0.419 0.000 1.061 955 T CB 1.469 70.541 68.868 0.340 0.000 1.007 955 T HN 0.699 nan 8.240 nan 0.000 0.502 956 E N 0.201 120.644 120.200 0.405 0.000 2.448 956 E HA -0.098 4.264 4.350 0.019 0.000 0.203 956 E C 1.315 177.948 176.600 0.055 0.000 1.046 956 E CA 0.840 57.306 56.400 0.109 0.000 0.871 956 E CB -0.010 29.698 29.700 0.014 0.000 0.790 956 E HN 0.744 nan 8.360 nan 0.000 0.545 957 T N -1.828 112.811 114.554 0.142 0.000 3.174 957 T HA 0.294 4.656 4.350 0.019 0.000 0.269 957 T C 1.050 175.830 174.700 0.134 0.000 1.017 957 T CA 0.590 62.753 62.100 0.105 0.000 0.899 957 T CB 0.156 69.077 68.868 0.089 0.000 1.077 957 T HN 0.330 nan 8.240 nan 0.000 0.552 958 G N 1.924 110.845 108.800 0.201 0.000 2.267 958 G HA2 -0.251 3.720 3.960 0.019 0.000 0.257 958 G HA3 -0.251 3.720 3.960 0.019 0.000 0.257 958 G C 0.210 175.273 174.900 0.272 0.000 0.998 958 G CA 0.061 45.304 45.100 0.238 0.000 0.620 958 G HN 0.589 nan 8.290 nan 0.000 0.529 959 N N 0.788 119.631 118.700 0.239 0.000 2.438 959 N HA 0.332 5.083 4.740 0.019 0.000 0.267 959 N C 0.050 175.736 175.510 0.294 0.000 1.222 959 N CA 0.099 53.296 53.050 0.245 0.000 0.930 959 N CB 0.625 39.249 38.487 0.228 0.000 1.083 959 N HN 0.460 nan 8.380 nan 0.000 0.476 960 L N 5.148 126.481 121.223 0.183 0.000 2.357 960 L HA 0.602 4.954 4.340 0.019 0.000 0.273 960 L C -0.792 176.143 176.870 0.108 0.000 1.080 960 L CA -0.442 54.419 54.840 0.036 0.000 0.803 960 L CB 0.456 42.386 42.059 -0.216 0.000 1.174 960 L HN 0.485 nan 8.230 nan 0.000 0.443 961 F N 0.796 120.577 119.950 -0.283 0.000 2.665 961 F HA 0.486 5.025 4.527 0.019 0.000 0.308 961 F C -1.003 174.570 175.800 -0.379 0.000 1.112 961 F CA -0.989 56.657 58.000 -0.589 0.000 0.972 961 F CB 0.905 39.877 39.000 -0.047 0.000 1.295 961 F HN 0.394 nan 8.300 nan 0.000 0.440 962 H N 2.423 121.244 119.070 -0.415 0.000 2.482 962 H HA 0.750 5.318 4.556 0.020 0.000 0.344 962 H C -0.468 174.874 175.328 0.022 0.000 1.151 962 H CA -0.313 55.666 56.048 -0.115 0.000 1.300 962 H CB 2.425 32.277 29.762 0.150 0.000 1.494 962 H HN 0.773 nan 8.280 nan 0.000 0.542 963 I N -2.025 118.408 120.570 -0.228 0.000 3.145 963 I HA 0.303 4.485 4.170 0.019 0.000 0.313 963 I C -0.406 175.411 176.117 -0.500 0.000 1.122 963 I CA -1.018 60.136 61.300 -0.243 0.000 0.987 963 I CB 1.952 39.825 38.000 -0.212 0.000 1.236 963 I HN 0.450 nan 8.210 nan 0.000 0.453 964 D N 1.683 121.921 120.400 -0.270 0.000 2.927 964 D HA -0.209 4.443 4.640 0.019 0.000 0.236 964 D C 0.118 176.331 176.300 -0.146 0.000 1.163 964 D CA 0.846 54.755 54.000 -0.151 0.000 0.801 964 D CB -0.621 40.086 40.800 -0.156 0.000 0.975 964 D HN 0.604 nan 8.370 nan 0.000 0.413 965 F N -0.513 119.552 119.950 0.192 0.000 2.367 965 F HA 0.142 4.681 4.527 0.020 0.000 0.298 965 F C 2.648 178.526 175.800 0.129 0.000 1.094 965 F CA 0.766 58.862 58.000 0.160 0.000 1.409 965 F CB 0.157 39.235 39.000 0.130 0.000 1.064 965 F HN 0.333 nan 8.300 nan 0.000 0.528 966 G N -1.746 107.212 108.800 0.263 0.000 3.397 966 G HA2 -0.007 3.965 3.960 0.019 0.000 0.248 966 G HA3 -0.007 3.965 3.960 0.019 0.000 0.248 966 G C 0.492 175.487 174.900 0.159 0.000 1.284 966 G CA 0.265 45.465 45.100 0.167 0.000 1.570 966 G HN 0.422 nan 8.290 nan 0.000 0.587 967 H N -0.152 118.958 119.070 0.065 0.000 2.348 967 H HA 0.138 4.706 4.556 0.019 0.000 0.233 967 H C 2.288 177.647 175.328 0.051 0.000 0.889 967 H CA 0.397 56.462 56.048 0.028 0.000 1.034 967 H CB 0.247 29.999 29.762 -0.017 0.000 1.393 967 H HN 0.182 nan 8.280 nan 0.000 0.422 968 I N 0.111 120.767 120.570 0.144 0.000 2.406 968 I HA -0.048 4.134 4.170 0.019 0.000 0.249 968 I C 1.383 177.540 176.117 0.067 0.000 1.122 968 I CA 1.203 62.572 61.300 0.115 0.000 1.431 968 I CB -1.014 37.102 38.000 0.193 0.000 1.087 968 I HN 0.257 nan 8.210 nan 0.000 0.424 969 L N 1.555 122.827 121.223 0.082 0.000 2.240 969 L HA 0.132 4.484 4.340 0.019 0.000 0.211 969 L C 2.832 179.710 176.870 0.014 0.000 1.106 969 L CA 0.987 55.855 54.840 0.048 0.000 0.793 969 L CB -0.890 41.207 42.059 0.064 0.000 0.927 969 L HN 0.316 nan 8.230 nan 0.000 0.446 970 G N 1.064 109.865 108.800 0.002 0.000 2.408 970 G HA2 -0.189 3.782 3.960 0.019 0.000 0.217 970 G HA3 -0.189 3.782 3.960 0.019 0.000 0.217 970 G C 0.239 175.112 174.900 -0.044 0.000 1.150 970 G CA 0.592 45.676 45.100 -0.026 0.000 0.776 970 G HN 0.590 nan 8.290 nan 0.000 0.542 971 N N -1.958 116.703 118.700 -0.066 0.000 2.701 971 N HA 0.419 5.170 4.740 0.019 0.000 0.258 971 N C -0.640 174.863 175.510 -0.011 0.000 1.262 971 N CA -0.487 52.536 53.050 -0.044 0.000 0.780 971 N CB -0.407 38.044 38.487 -0.060 0.000 1.380 971 N HN 0.244 nan 8.380 nan 0.000 0.548 983 V N 3.282 123.183 119.914 -0.022 0.000 2.876 983 V HA 0.835 4.966 4.120 0.019 0.000 0.312 983 V C -1.675 174.379 176.094 -0.067 0.000 1.085 983 V CA -1.693 60.559 62.300 -0.080 0.000 0.945 983 V CB 2.724 34.506 31.823 -0.069 0.000 1.017 983 V HN 0.923 nan 8.190 nan 0.000 0.428 984 P HA 0.067 nan 4.420 nan 0.000 0.220 984 P C -0.280 177.115 177.300 0.158 0.000 1.152 984 P CA 1.166 64.214 63.100 -0.088 0.000 0.812 984 P CB 0.076 31.497 31.700 -0.465 0.000 0.792 985 F N -4.021 115.998 119.950 0.116 0.000 2.817 985 F HA 0.486 5.024 4.527 0.019 0.000 0.317 985 F C -1.122 174.720 175.800 0.069 0.000 1.168 985 F CA -1.776 56.314 58.000 0.149 0.000 0.911 985 F CB 0.546 39.666 39.000 0.201 0.000 1.337 985 F HN -0.500 nan 8.300 nan 0.000 0.464 986 V N 2.481 122.595 119.914 0.334 0.000 2.353 986 V HA 0.411 4.543 4.120 0.019 0.000 0.264 986 V C -0.612 175.460 176.094 -0.038 0.000 1.049 986 V CA -0.124 62.201 62.300 0.041 0.000 0.896 986 V CB 0.720 32.511 31.823 -0.053 0.000 1.025 986 V HN 0.627 nan 8.190 nan 0.000 0.475 987 L N 6.515 127.649 121.223 -0.148 0.000 2.551 987 L HA 0.419 4.771 4.340 0.019 0.000 0.248 987 L C 0.715 177.373 176.870 -0.353 0.000 1.509 987 L CA 0.057 54.821 54.840 -0.127 0.000 0.842 987 L CB 0.878 43.049 42.059 0.185 0.000 1.087 987 L HN 0.753 nan 8.230 nan 0.000 0.512 988 T N -0.693 113.435 114.554 -0.711 0.000 2.856 988 T HA 0.263 4.625 4.350 0.019 0.000 0.306 988 T C -1.722 172.637 174.700 -0.569 0.000 1.062 988 T CA -1.129 60.525 62.100 -0.743 0.000 1.083 988 T CB 0.443 68.814 68.868 -0.829 0.000 0.984 988 T HN 0.215 nan 8.240 nan 0.000 0.542 989 P HA -0.146 nan 4.420 nan 0.000 0.217 989 P C 1.224 178.484 177.300 -0.067 0.000 1.148 989 P CA 1.214 64.040 63.100 -0.457 0.000 0.828 989 P CB -0.066 31.264 31.700 -0.617 0.000 0.783 990 D N -1.546 118.888 120.400 0.055 0.000 2.178 990 D HA -0.168 4.484 4.640 0.019 0.000 0.202 990 D C 1.582 178.093 176.300 0.351 0.000 0.974 990 D CA 1.146 55.321 54.000 0.291 0.000 0.841 990 D CB -1.278 39.777 40.800 0.425 0.000 0.953 990 D HN 0.117 nan 8.370 nan 0.000 0.478 991 F N 0.821 120.822 119.950 0.084 0.000 2.098 991 F HA 0.154 4.693 4.527 0.019 0.000 0.294 991 F C 2.454 178.334 175.800 0.132 0.000 1.107 991 F CA 0.286 58.425 58.000 0.231 0.000 1.234 991 F CB -0.939 38.252 39.000 0.318 0.000 1.002 991 F HN -0.080 nan 8.300 nan 0.000 0.472 992 L N -1.516 119.844 121.223 0.228 0.000 2.127 992 L HA -0.243 4.108 4.340 0.019 0.000 0.211 992 L C 2.394 179.315 176.870 0.086 0.000 1.089 992 L CA 1.179 56.068 54.840 0.081 0.000 0.757 992 L CB -0.825 41.196 42.059 -0.064 0.000 0.899 992 L HN 0.044 nan 8.230 nan 0.000 0.434 993 F N 0.075 120.010 119.950 -0.025 0.000 2.171 993 F HA -0.173 4.366 4.527 0.019 0.000 0.300 993 F C 2.180 177.947 175.800 -0.055 0.000 1.090 993 F CA 1.274 59.254 58.000 -0.034 0.000 1.293 993 F CB -0.056 38.934 39.000 -0.017 0.000 1.013 993 F HN -0.234 nan 8.300 nan 0.000 0.486 994 V N 0.180 120.087 119.914 -0.012 0.000 2.548 994 V HA -0.288 3.843 4.120 0.019 0.000 0.249 994 V C 2.143 178.116 176.094 -0.203 0.000 1.055 994 V CA 1.859 64.031 62.300 -0.213 0.000 1.065 994 V CB -0.634 30.844 31.823 -0.576 0.000 0.681 994 V HN 0.339 nan 8.190 nan 0.000 0.462 995 M N 0.037 119.603 119.600 -0.056 0.000 2.619 995 M HA 0.245 4.737 4.480 0.019 0.000 0.251 995 M C 1.316 177.629 176.300 0.021 0.000 1.106 995 M CA 0.991 56.321 55.300 0.050 0.000 1.086 995 M CB 0.106 32.824 32.600 0.196 0.000 1.465 995 M HN 0.494 nan 8.290 nan 0.000 0.506 996 G N 1.728 110.463 108.800 -0.110 0.000 2.303 996 G HA2 -0.168 3.804 3.960 0.019 0.000 0.260 996 G HA3 -0.168 3.804 3.960 0.019 0.000 0.260 996 G C -0.352 174.491 174.900 -0.096 0.000 1.106 996 G CA -0.094 44.924 45.100 -0.136 0.000 0.900 996 G HN 0.370 nan 8.290 nan 0.000 0.495 997 T N -0.248 114.237 114.554 -0.114 0.000 3.071 997 T HA 0.596 4.958 4.350 0.019 0.000 0.311 997 T C -0.524 174.156 174.700 -0.033 0.000 1.042 997 T CA 0.049 62.081 62.100 -0.113 0.000 1.028 997 T CB 1.974 70.691 68.868 -0.251 0.000 1.068 997 T HN 0.617 nan 8.240 nan 0.000 0.451 998 S N 2.375 118.073 115.700 -0.003 0.000 2.596 998 S HA 0.721 5.203 4.470 0.019 0.000 0.318 998 S C 0.691 175.282 174.600 -0.015 0.000 1.097 998 S CA 0.668 58.908 58.200 0.067 0.000 1.080 998 S CB 0.163 63.450 63.200 0.146 0.000 0.991 998 S HN 1.388 nan 8.310 nan 0.000 0.471 999 G N 2.884 111.658 108.800 -0.044 0.000 2.601 999 G HA2 -0.021 3.951 3.960 0.019 0.000 0.252 999 G HA3 -0.021 3.951 3.960 0.019 0.000 0.252 999 G C -0.078 174.749 174.900 -0.121 0.000 1.294 999 G CA -0.120 44.936 45.100 -0.074 0.000 0.912 999 G HN 1.378 nan 8.290 nan 0.000 0.574 1000 K N 0.413 120.750 120.400 -0.106 0.000 2.228 1000 K HA 0.661 4.993 4.320 0.019 0.000 0.284 1000 K C 0.378 176.911 176.600 -0.112 0.000 1.088 1000 K CA 1.189 57.401 56.287 -0.125 0.000 0.941 1000 K CB 0.420 32.868 32.500 -0.087 0.000 1.158 1000 K HN 0.847 nan 8.250 nan 0.000 0.438 1001 K N 0.192 120.494 120.400 -0.164 0.000 2.466 1001 K HA 0.654 4.986 4.320 0.019 0.000 0.277 1001 K C -1.116 175.383 176.600 -0.169 0.000 1.039 1001 K CA -0.534 55.679 56.287 -0.122 0.000 0.904 1001 K CB 2.239 34.682 32.500 -0.094 0.000 1.506 1001 K HN 0.522 nan 8.250 nan 0.000 0.441 1002 T N 0.240 114.759 114.554 -0.058 0.000 2.900 1002 T HA 0.494 4.855 4.350 0.019 0.000 0.303 1002 T C -1.233 173.521 174.700 0.089 0.000 1.142 1002 T CA -0.911 61.221 62.100 0.053 0.000 1.007 1002 T CB 1.557 70.513 68.868 0.146 0.000 1.156 1002 T HN 0.696 nan 8.240 nan 0.000 0.490 1003 S N 0.530 116.338 115.700 0.180 0.000 2.685 1003 S HA 0.654 5.136 4.470 0.019 0.000 0.282 1003 S C -2.485 172.218 174.600 0.171 0.000 1.159 1003 S CA -1.416 56.878 58.200 0.156 0.000 0.833 1003 S CB 1.602 64.893 63.200 0.152 0.000 1.151 1003 S HN 0.432 nan 8.310 nan 0.000 0.485 1004 P HA -0.059 nan 4.420 nan 0.000 0.226 1004 P C 0.803 178.072 177.300 -0.052 0.000 1.153 1004 P CA 1.233 64.347 63.100 0.024 0.000 0.777 1004 P CB -0.197 31.486 31.700 -0.029 0.000 0.794 1005 H N -2.214 116.922 119.070 0.110 0.000 2.431 1005 H HA 0.072 4.640 4.556 0.019 0.000 0.295 1005 H C 1.778 177.213 175.328 0.178 0.000 1.038 1005 H CA 0.546 56.668 56.048 0.125 0.000 1.360 1005 H CB -0.444 29.386 29.762 0.113 0.000 1.433 1005 H HN 0.092 nan 8.280 nan 0.000 0.536 1006 F N 2.376 122.434 119.950 0.180 0.000 2.259 1006 F HA -0.109 4.430 4.527 0.020 0.000 0.298 1006 F C 2.284 178.196 175.800 0.187 0.000 1.088 1006 F CA 1.079 59.171 58.000 0.153 0.000 1.358 1006 F CB 0.093 39.137 39.000 0.073 0.000 1.040 1006 F HN -0.013 nan 8.300 nan 0.000 0.505 1007 Q N 0.022 119.866 119.800 0.074 0.000 2.137 1007 Q HA -0.169 4.182 4.340 0.019 0.000 0.198 1007 Q C 2.192 178.146 176.000 -0.076 0.000 0.960 1007 Q CA 1.434 57.224 55.803 -0.022 0.000 0.847 1007 Q CB -0.140 28.621 28.738 0.039 0.000 0.915 1007 Q HN 0.378 nan 8.270 nan 0.000 0.448 1008 K N 0.447 120.821 120.400 -0.043 0.000 2.002 1008 K HA -0.211 4.121 4.320 0.019 0.000 0.209 1008 K C 1.793 178.300 176.600 -0.155 0.000 1.048 1008 K CA 1.367 57.599 56.287 -0.091 0.000 0.930 1008 K CB -0.297 32.163 32.500 -0.067 0.000 0.714 1008 K HN 0.108 nan 8.250 nan 0.000 0.438 1009 F N 2.105 121.912 119.950 -0.238 0.000 2.027 1009 F HA -0.341 4.198 4.527 0.020 0.000 0.297 1009 F C 2.225 177.834 175.800 -0.319 0.000 1.129 1009 F CA 2.252 60.085 58.000 -0.279 0.000 1.195 1009 F CB -0.552 38.311 39.000 -0.228 0.000 0.960 1009 F HN 0.205 nan 8.300 nan 0.000 0.485 1010 Q N -0.632 118.951 119.800 -0.361 0.000 2.135 1010 Q HA -0.261 4.090 4.340 0.019 0.000 0.204 1010 Q C 1.899 177.717 176.000 -0.303 0.000 0.981 1010 Q CA 1.803 57.389 55.803 -0.363 0.000 0.856 1010 Q CB -0.425 28.146 28.738 -0.278 0.000 0.902 1010 Q HN 0.521 nan 8.270 nan 0.000 0.425 1011 D N 0.420 120.665 120.400 -0.258 0.000 2.123 1011 D HA -0.104 4.548 4.640 0.019 0.000 0.200 1011 D C 1.680 177.809 176.300 -0.285 0.000 0.976 1011 D CA 0.856 54.729 54.000 -0.211 0.000 0.831 1011 D CB 0.001 40.712 40.800 -0.149 0.000 0.974 1011 D HN 0.239 nan 8.370 nan 0.000 0.469 1012 I N -0.225 120.099 120.570 -0.408 0.000 2.179 1012 I HA -0.271 3.910 4.170 0.019 0.000 0.242 1012 I C 2.643 178.438 176.117 -0.537 0.000 1.088 1012 I CA 0.522 61.516 61.300 -0.509 0.000 1.357 1012 I CB -0.731 36.831 38.000 -0.730 0.000 1.051 1012 I HN 0.121 nan 8.210 nan 0.000 0.409 1013 C N 0.723 119.654 119.300 -0.616 0.000 2.393 1013 C HA -0.145 4.327 4.460 0.019 0.000 0.276 1013 C C 3.018 177.707 174.990 -0.503 0.000 1.215 1013 C CA 1.083 59.735 59.018 -0.610 0.000 1.743 1013 C CB -0.702 26.706 27.740 -0.552 0.000 2.044 1013 C HN 0.394 nan 8.230 nan 0.000 0.464 1014 V N 0.468 120.196 119.914 -0.310 0.000 2.427 1014 V HA -0.195 3.936 4.120 0.019 0.000 0.248 1014 V C 2.356 178.370 176.094 -0.132 0.000 1.051 1014 V CA 1.802 64.009 62.300 -0.156 0.000 1.048 1014 V CB -0.598 31.186 31.823 -0.064 0.000 0.666 1014 V HN 0.568 nan 8.190 nan 0.000 0.456 1015 K N 0.353 120.642 120.400 -0.186 0.000 2.001 1015 K HA -0.083 4.249 4.320 0.019 0.000 0.208 1015 K C 2.383 178.880 176.600 -0.171 0.000 1.048 1015 K CA 1.459 57.655 56.287 -0.152 0.000 0.932 1015 K CB -0.477 31.924 32.500 -0.164 0.000 0.715 1015 K HN 0.437 nan 8.250 nan 0.000 0.437 1016 A N 0.763 123.391 122.820 -0.320 0.000 1.883 1016 A HA -0.234 4.098 4.320 0.019 0.000 0.217 1016 A C 2.118 179.744 177.584 0.071 0.000 1.186 1016 A CA 1.601 53.420 52.037 -0.364 0.000 0.624 1016 A CB -0.903 17.616 19.000 -0.801 0.000 0.822 1016 A HN 0.460 nan 8.150 nan 0.000 0.444 1017 Y N 0.218 120.356 120.300 -0.271 0.000 2.181 1017 Y HA -0.088 4.473 4.550 0.020 0.000 0.288 1017 Y C 1.895 177.700 175.900 -0.158 0.000 1.146 1017 Y CA 1.785 59.725 58.100 -0.267 0.000 1.164 1017 Y CB -0.207 37.864 38.460 -0.649 0.000 0.982 1017 Y HN 0.203 nan 8.280 nan 0.000 0.515 1018 L N -0.595 120.504 121.223 -0.206 0.000 2.313 1018 L HA -0.076 4.276 4.340 0.019 0.000 0.214 1018 L C 2.616 179.148 176.870 -0.563 0.000 1.119 1018 L CA 0.760 55.390 54.840 -0.350 0.000 0.809 1018 L CB -0.639 41.316 42.059 -0.173 0.000 0.933 1018 L HN 0.323 nan 8.230 nan 0.000 0.449 1019 A N 0.026 122.707 122.820 -0.232 0.000 1.929 1019 A HA -0.087 4.245 4.320 0.019 0.000 0.216 1019 A C 2.179 179.748 177.584 -0.025 0.000 1.176 1019 A CA 1.032 53.040 52.037 -0.049 0.000 0.628 1019 A CB -0.411 18.766 19.000 0.294 0.000 0.816 1019 A HN 0.340 nan 8.150 nan 0.000 0.444 1020 L N -1.227 119.967 121.223 -0.047 0.000 2.156 1020 L HA -0.070 4.281 4.340 0.019 0.000 0.208 1020 L C 2.673 179.447 176.870 -0.159 0.000 1.095 1020 L CA 0.818 55.595 54.840 -0.105 0.000 0.770 1020 L CB -0.392 41.594 42.059 -0.122 0.000 0.914 1020 L HN 0.344 nan 8.230 nan 0.000 0.439 1021 R N -0.793 119.507 120.500 -0.334 0.000 2.189 1021 R HA -0.104 4.247 4.340 0.019 0.000 0.223 1021 R C 1.870 178.058 176.300 -0.187 0.000 1.092 1021 R CA 0.812 56.714 56.100 -0.330 0.000 0.989 1021 R CB -0.236 29.791 30.300 -0.455 0.000 0.876 1021 R HN 0.545 nan 8.270 nan 0.000 0.457 1022 H N -1.524 117.473 119.070 -0.121 0.000 2.524 1022 H HA 0.025 4.592 4.556 0.019 0.000 0.282 1022 H C 0.546 175.645 175.328 -0.382 0.000 1.016 1022 H CA 0.390 56.304 56.048 -0.222 0.000 1.270 1022 H CB 0.296 29.921 29.762 -0.229 0.000 1.394 1022 H HN 0.224 nan 8.280 nan 0.000 0.568 1023 H N -0.186 118.883 119.070 -0.003 0.000 2.481 1023 H HA 0.127 4.695 4.556 0.020 0.000 0.273 1023 H C 0.973 176.263 175.328 -0.063 0.000 1.145 1023 H CA -0.058 55.969 56.048 -0.035 0.000 0.964 1023 H CB 0.600 30.328 29.762 -0.057 0.000 1.722 1023 H HN 0.259 nan 8.280 nan 0.000 0.573 1024 T N 1.263 115.810 114.554 -0.011 0.000 2.580 1024 T HA -0.193 4.169 4.350 0.019 0.000 0.265 1024 T C 1.904 176.594 174.700 -0.016 0.000 1.063 1024 T CA 1.689 63.764 62.100 -0.042 0.000 1.170 1024 T CB 0.112 68.942 68.868 -0.063 0.000 0.863 1024 T HN 0.460 nan 8.240 nan 0.000 0.418 1025 N N 1.316 120.015 118.700 -0.002 0.000 2.061 1025 N HA -0.072 4.680 4.740 0.019 0.000 0.193 1025 N C 1.805 177.331 175.510 0.027 0.000 1.030 1025 N CA 0.788 53.847 53.050 0.015 0.000 0.856 1025 N CB -0.879 37.618 38.487 0.017 0.000 1.023 1025 N HN 0.245 nan 8.380 nan 0.000 0.424 1026 L N 0.776 122.023 121.223 0.040 0.000 1.970 1026 L HA -0.150 4.202 4.340 0.019 0.000 0.212 1026 L C 1.926 178.820 176.870 0.039 0.000 1.071 1026 L CA 1.542 56.407 54.840 0.040 0.000 0.751 1026 L CB -0.542 41.559 42.059 0.070 0.000 0.889 1026 L HN 0.185 nan 8.230 nan 0.000 0.432 1027 L N -0.505 120.732 121.223 0.025 0.000 2.083 1027 L HA -0.263 4.088 4.340 0.019 0.000 0.209 1027 L C 2.571 179.471 176.870 0.050 0.000 1.083 1027 L CA 1.103 55.950 54.840 0.012 0.000 0.752 1027 L CB -0.389 41.642 42.059 -0.047 0.000 0.899 1027 L HN 0.287 nan 8.230 nan 0.000 0.433 1028 I N -0.334 120.255 120.570 0.030 0.000 2.142 1028 I HA -0.322 3.860 4.170 0.019 0.000 0.240 1028 I C 2.529 178.724 176.117 0.131 0.000 1.078 1028 I CA 1.367 62.704 61.300 0.061 0.000 1.343 1028 I CB -0.127 37.884 38.000 0.018 0.000 1.046 1028 I HN 0.173 nan 8.210 nan 0.000 0.405 1029 I N 0.735 121.358 120.570 0.087 0.000 2.163 1029 I HA -0.299 3.883 4.170 0.019 0.000 0.243 1029 I C 2.265 178.435 176.117 0.087 0.000 1.085 1029 I CA 1.782 63.128 61.300 0.076 0.000 1.347 1029 I CB -0.214 37.816 38.000 0.049 0.000 1.044 1029 I HN 0.099 nan 8.210 nan 0.000 0.408 1030 L N -0.953 120.327 121.223 0.096 0.000 1.994 1030 L HA -0.239 4.112 4.340 0.019 0.000 0.208 1030 L C 2.521 179.454 176.870 0.105 0.000 1.071 1030 L CA 1.812 56.708 54.840 0.093 0.000 0.745 1030 L CB -0.897 41.215 42.059 0.089 0.000 0.892 1030 L HN 0.289 nan 8.230 nan 0.000 0.431 1031 F N 0.709 120.660 119.950 0.001 0.000 2.126 1031 F HA -0.304 4.235 4.527 0.019 0.000 0.299 1031 F C 2.934 178.745 175.800 0.018 0.000 1.096 1031 F CA 1.788 59.791 58.000 0.005 0.000 1.255 1031 F CB -0.282 38.726 39.000 0.012 0.000 0.997 1031 F HN 0.115 nan 8.300 nan 0.000 0.479 1032 S N 0.215 115.996 115.700 0.135 0.000 2.368 1032 S HA -0.245 4.237 4.470 0.019 0.000 0.225 1032 S C 2.098 176.691 174.600 -0.010 0.000 1.030 1032 S CA 1.558 59.787 58.200 0.049 0.000 0.999 1032 S CB -0.490 62.767 63.200 0.094 0.000 0.844 1032 S HN 0.535 nan 8.310 nan 0.000 0.459 1033 M N 0.555 120.172 119.600 0.028 0.000 2.156 1033 M HA 0.018 4.510 4.480 0.019 0.000 0.264 1033 M C 2.509 178.837 176.300 0.046 0.000 1.067 1033 M CA 1.850 57.208 55.300 0.097 0.000 1.131 1033 M CB -0.401 32.283 32.600 0.139 0.000 1.368 1033 M HN 0.546 nan 8.290 nan 0.000 0.416 1034 M N 0.724 120.295 119.600 -0.050 0.000 2.086 1034 M HA -0.224 4.268 4.480 0.019 0.000 0.261 1034 M C 1.842 178.049 176.300 -0.156 0.000 1.067 1034 M CA 1.796 57.027 55.300 -0.116 0.000 1.116 1034 M CB -0.196 32.310 32.600 -0.156 0.000 1.348 1034 M HN 0.244 nan 8.290 nan 0.000 0.407 1035 L N -0.087 120.995 121.223 -0.235 0.000 2.083 1035 L HA -0.224 4.128 4.340 0.019 0.000 0.209 1035 L C 2.590 179.407 176.870 -0.088 0.000 1.083 1035 L CA 1.380 56.092 54.840 -0.215 0.000 0.752 1035 L CB -0.625 41.254 42.059 -0.300 0.000 0.899 1035 L HN 0.488 nan 8.230 nan 0.000 0.433 1036 M N -0.846 118.744 119.600 -0.017 0.000 2.193 1036 M HA -0.103 4.388 4.480 0.019 0.000 0.265 1036 M C 2.316 178.628 176.300 0.021 0.000 1.071 1036 M CA 2.053 57.389 55.300 0.060 0.000 1.140 1036 M CB -0.399 32.313 32.600 0.186 0.000 1.369 1036 M HN 0.375 nan 8.290 nan 0.000 0.423 1037 T N -3.506 111.037 114.554 -0.019 0.000 3.051 1037 T HA 0.157 4.519 4.350 0.019 0.000 0.255 1037 T C 1.569 176.191 174.700 -0.131 0.000 1.085 1037 T CA 0.958 62.974 62.100 -0.141 0.000 1.109 1037 T CB -0.006 68.726 68.868 -0.225 0.000 0.921 1037 T HN 0.428 nan 8.240 nan 0.000 0.488 1038 G N 0.551 109.287 108.800 -0.106 0.000 2.727 1038 G HA2 0.326 4.297 3.960 0.019 0.000 0.207 1038 G HA3 0.326 4.297 3.960 0.019 0.000 0.207 1038 G C 0.470 175.321 174.900 -0.081 0.000 1.060 1038 G CA -0.452 44.588 45.100 -0.101 0.000 0.814 1038 G HN 0.327 nan 8.290 nan 0.000 0.576 1039 M N 2.571 122.121 119.600 -0.084 0.000 2.069 1039 M HA 0.330 4.822 4.480 0.019 0.000 0.349 1039 M C -2.886 173.384 176.300 -0.049 0.000 1.194 1039 M CA -2.090 53.167 55.300 -0.072 0.000 1.081 1039 M CB 0.906 33.445 32.600 -0.102 0.000 1.500 1039 M HN -0.132 nan 8.290 nan 0.000 0.438 1040 P HA 0.328 nan 4.420 nan 0.000 0.281 1040 P C -0.116 177.179 177.300 -0.008 0.000 1.252 1040 P CA 0.140 63.228 63.100 -0.019 0.000 0.778 1040 P CB 0.986 32.678 31.700 -0.013 0.000 0.895 1041 Q N 0.511 120.316 119.800 0.008 0.000 2.281 1041 Q HA -0.238 4.113 4.340 0.019 0.000 0.148 1041 Q C 0.584 176.576 176.000 -0.013 0.000 1.069 1041 Q CA 1.154 56.966 55.803 0.016 0.000 1.297 1041 Q CB -1.905 26.843 28.738 0.017 0.000 1.268 1041 Q HN 0.392 nan 8.270 nan 0.000 0.952 1042 L N 1.934 123.141 121.223 -0.026 0.000 2.858 1042 L HA 0.008 4.360 4.340 0.019 0.000 0.243 1042 L C 0.648 177.482 176.870 -0.060 0.000 1.416 1042 L CA 0.515 55.330 54.840 -0.043 0.000 1.182 1042 L CB -0.128 41.903 42.059 -0.046 0.000 1.564 1042 L HN 0.327 nan 8.230 nan 0.000 0.436 1043 T N -2.960 111.553 114.554 -0.068 0.000 3.518 1043 T HA 0.001 4.363 4.350 0.019 0.000 0.211 1043 T C 1.327 175.924 174.700 -0.172 0.000 0.940 1043 T CA 0.576 62.630 62.100 -0.078 0.000 1.307 1043 T CB 0.327 69.201 68.868 0.011 0.000 1.392 1043 T HN 0.424 nan 8.240 nan 0.000 0.382 1044 S N 1.812 117.256 115.700 -0.427 0.000 2.370 1044 S HA -0.445 4.037 4.470 0.019 0.000 0.233 1044 S C 1.203 175.562 174.600 -0.402 0.000 1.258 1044 S CA 3.063 60.874 58.200 -0.649 0.000 1.695 1044 S CB -1.585 61.394 63.200 -0.369 0.000 2.249 1044 S HN 1.074 nan 8.310 nan 0.000 0.639 1045 K N -0.421 119.881 120.400 -0.163 0.000 3.178 1045 K HA -0.215 4.117 4.320 0.019 0.000 0.341 1045 K C 0.640 177.239 176.600 -0.002 0.000 0.691 1045 K CA 2.201 58.465 56.287 -0.039 0.000 1.493 1045 K CB -1.892 30.602 32.500 -0.010 0.000 1.134 1045 K HN 0.521 nan 8.250 nan 0.000 0.499 1046 E N 1.193 121.377 120.200 -0.027 0.000 2.158 1046 E HA 0.023 4.385 4.350 0.019 0.000 0.191 1046 E C 1.182 177.827 176.600 0.075 0.000 0.982 1046 E CA 1.413 57.824 56.400 0.018 0.000 0.823 1046 E CB -0.074 29.622 29.700 -0.007 0.000 0.766 1046 E HN 0.474 nan 8.360 nan 0.000 0.468 1047 D N 0.178 120.614 120.400 0.059 0.000 2.178 1047 D HA -0.084 4.567 4.640 0.019 0.000 0.202 1047 D C 1.940 178.402 176.300 0.269 0.000 0.974 1047 D CA 0.771 54.844 54.000 0.121 0.000 0.841 1047 D CB 0.002 40.823 40.800 0.035 0.000 0.953 1047 D HN 0.241 nan 8.370 nan 0.000 0.478 1048 I N 1.318 122.015 120.570 0.211 0.000 2.202 1048 I HA -0.200 3.982 4.170 0.019 0.000 0.242 1048 I C 2.085 178.408 176.117 0.342 0.000 1.091 1048 I CA 1.053 62.551 61.300 0.331 0.000 1.368 1048 I CB -0.340 37.755 38.000 0.158 0.000 1.058 1048 I HN -0.124 nan 8.210 nan 0.000 0.410 1049 E N 0.125 120.435 120.200 0.183 0.000 2.463 1049 E HA -0.248 4.113 4.350 0.019 0.000 0.201 1049 E C 1.817 178.452 176.600 0.057 0.000 1.045 1049 E CA 0.654 57.112 56.400 0.096 0.000 0.872 1049 E CB -0.202 29.533 29.700 0.057 0.000 0.797 1049 E HN 0.545 nan 8.360 nan 0.000 0.538 1050 Y N 1.167 121.491 120.300 0.041 0.000 2.151 1050 Y HA -0.285 4.277 4.550 0.020 0.000 0.284 1050 Y C 2.090 177.890 175.900 -0.167 0.000 1.166 1050 Y CA 1.489 59.576 58.100 -0.022 0.000 1.163 1050 Y CB -0.236 38.249 38.460 0.041 0.000 0.974 1050 Y HN 0.028 nan 8.280 nan 0.000 0.511 1051 I N 0.564 120.839 120.570 -0.492 0.000 2.335 1051 I HA -0.303 3.879 4.170 0.019 0.000 0.251 1051 I C 2.462 178.323 176.117 -0.426 0.000 1.129 1051 I CA 1.481 62.383 61.300 -0.664 0.000 1.402 1051 I CB -0.380 37.099 38.000 -0.868 0.000 1.069 1051 I HN 0.180 nan 8.210 nan 0.000 0.424 1052 R N 0.499 120.833 120.500 -0.276 0.000 2.073 1052 R HA -0.158 4.193 4.340 0.019 0.000 0.234 1052 R C 2.038 178.212 176.300 -0.211 0.000 1.134 1052 R CA 2.054 58.043 56.100 -0.185 0.000 0.952 1052 R CB -0.478 29.758 30.300 -0.107 0.000 0.850 1052 R HN 0.494 nan 8.270 nan 0.000 0.433 1053 D N 0.281 120.531 120.400 -0.249 0.000 2.078 1053 D HA -0.186 4.465 4.640 0.019 0.000 0.193 1053 D C 1.877 178.044 176.300 -0.221 0.000 0.990 1053 D CA 1.567 55.438 54.000 -0.216 0.000 0.827 1053 D CB -0.258 40.437 40.800 -0.174 0.000 0.975 1053 D HN 0.283 nan 8.370 nan 0.000 0.451 1054 A N 1.346 123.915 122.820 -0.419 0.000 1.892 1054 A HA -0.164 4.167 4.320 0.019 0.000 0.218 1054 A C 2.351 179.962 177.584 0.046 0.000 1.188 1054 A CA 1.176 53.001 52.037 -0.354 0.000 0.631 1054 A CB -0.907 17.570 19.000 -0.873 0.000 0.822 1054 A HN 0.201 nan 8.150 nan 0.000 0.447 1055 L N -1.068 120.081 121.223 -0.123 0.000 2.610 1055 L HA 0.001 4.352 4.340 0.019 0.000 0.232 1055 L C 1.195 178.001 176.870 -0.105 0.000 1.149 1055 L CA 0.651 55.427 54.840 -0.107 0.000 0.872 1055 L CB -0.377 41.575 42.059 -0.178 0.000 0.992 1055 L HN 0.455 nan 8.230 nan 0.000 0.447 1056 T N 0.105 114.585 114.554 -0.124 0.000 3.803 1056 T HA -0.185 4.177 4.350 0.019 0.000 0.376 1056 T C 0.142 174.759 174.700 -0.138 0.000 0.761 1056 T CA 0.299 62.278 62.100 -0.202 0.000 1.962 1056 T CB -1.032 67.654 68.868 -0.304 0.000 1.780 1056 T HN 0.143 nan 8.240 nan 0.000 0.771 1057 V N 1.561 121.400 119.914 -0.125 0.000 2.872 1057 V HA 0.460 4.591 4.120 0.019 0.000 0.307 1057 V C 1.842 177.892 176.094 -0.073 0.000 1.072 1057 V CA 1.869 64.114 62.300 -0.091 0.000 1.148 1057 V CB 0.694 32.468 31.823 -0.081 0.000 0.954 1057 V HN 1.521 nan 8.190 nan 0.000 0.490 1058 G N 4.469 113.238 108.800 -0.052 0.000 2.347 1058 G HA2 -0.220 3.752 3.960 0.019 0.000 0.247 1058 G HA3 -0.220 3.752 3.960 0.019 0.000 0.247 1058 G C 0.445 175.326 174.900 -0.032 0.000 1.037 1058 G CA 0.450 45.528 45.100 -0.037 0.000 0.622 1058 G HN 0.714 nan 8.290 nan 0.000 0.521 1059 K N 1.453 121.828 120.400 -0.041 0.000 2.126 1059 K HA 0.378 4.710 4.320 0.019 0.000 0.257 1059 K C 0.567 177.161 176.600 -0.010 0.000 1.007 1059 K CA 0.055 56.327 56.287 -0.025 0.000 0.928 1059 K CB 0.861 33.340 32.500 -0.035 0.000 1.013 1059 K HN 0.705 nan 8.250 nan 0.000 0.473 1060 N N -0.941 117.764 118.700 0.008 0.000 2.495 1060 N HA 0.059 4.811 4.740 0.019 0.000 0.280 1060 N C 0.584 176.114 175.510 0.034 0.000 1.168 1060 N CA -0.461 52.600 53.050 0.018 0.000 0.978 1060 N CB 0.973 39.471 38.487 0.019 0.000 1.191 1060 N HN 0.402 nan 8.380 nan 0.000 0.497 1061 E N -0.185 120.038 120.200 0.038 0.000 2.136 1061 E HA -0.273 4.089 4.350 0.019 0.000 0.202 1061 E C 0.986 177.628 176.600 0.070 0.000 1.019 1061 E CA 1.577 58.008 56.400 0.052 0.000 0.819 1061 E CB -0.047 29.686 29.700 0.055 0.000 0.739 1061 E HN 0.640 nan 8.360 nan 0.000 0.458 1062 E N 0.756 120.992 120.200 0.059 0.000 2.072 1062 E HA -0.152 4.209 4.350 0.019 0.000 0.191 1062 E C 1.728 178.375 176.600 0.078 0.000 0.985 1062 E CA 0.822 57.259 56.400 0.061 0.000 0.801 1062 E CB -0.278 29.449 29.700 0.044 0.000 0.750 1062 E HN 0.257 nan 8.360 nan 0.000 0.452 1063 D N 0.615 121.060 120.400 0.076 0.000 2.144 1063 D HA -0.033 4.619 4.640 0.019 0.000 0.200 1063 D C 1.819 178.207 176.300 0.146 0.000 0.978 1063 D CA 1.313 55.367 54.000 0.091 0.000 0.833 1063 D CB -0.065 40.772 40.800 0.061 0.000 0.961 1063 D HN 0.142 nan 8.370 nan 0.000 0.470 1064 A N 0.963 123.879 122.820 0.160 0.000 1.898 1064 A HA -0.192 4.140 4.320 0.019 0.000 0.216 1064 A C 2.093 179.896 177.584 0.364 0.000 1.181 1064 A CA 1.755 53.966 52.037 0.290 0.000 0.620 1064 A CB -0.440 18.694 19.000 0.224 0.000 0.819 1064 A HN 0.174 nan 8.150 nan 0.000 0.442 1065 K N 0.017 120.555 120.400 0.229 0.000 2.063 1065 K HA -0.212 4.120 4.320 0.019 0.000 0.208 1065 K C 2.158 178.847 176.600 0.149 0.000 1.048 1065 K CA 1.913 58.303 56.287 0.172 0.000 0.928 1065 K CB -0.199 32.362 32.500 0.103 0.000 0.713 1065 K HN 0.436 nan 8.250 nan 0.000 0.442 1066 K N -0.360 120.124 120.400 0.140 0.000 2.002 1066 K HA -0.234 4.098 4.320 0.019 0.000 0.209 1066 K C 2.204 178.876 176.600 0.120 0.000 1.048 1066 K CA 1.773 58.127 56.287 0.110 0.000 0.930 1066 K CB -0.398 32.164 32.500 0.103 0.000 0.714 1066 K HN 0.254 nan 8.250 nan 0.000 0.438 1067 Y N 0.048 120.373 120.300 0.042 0.000 2.207 1067 Y HA -0.266 4.297 4.550 0.021 0.000 0.287 1067 Y C 1.896 177.733 175.900 -0.104 0.000 1.156 1067 Y CA 1.868 59.974 58.100 0.009 0.000 1.182 1067 Y CB -0.277 38.238 38.460 0.092 0.000 0.979 1067 Y HN 0.145 nan 8.280 nan 0.000 0.521 1068 F N -0.081 119.763 119.950 -0.177 0.000 2.259 1068 F HA -0.138 4.400 4.527 0.019 0.000 0.298 1068 F C 1.822 177.447 175.800 -0.291 0.000 1.088 1068 F CA 1.304 59.023 58.000 -0.467 0.000 1.358 1068 F CB -0.301 38.278 39.000 -0.702 0.000 1.040 1068 F HN 0.006 nan 8.300 nan 0.000 0.505 1069 L N -0.409 120.748 121.223 -0.110 0.000 2.141 1069 L HA -0.202 4.150 4.340 0.019 0.000 0.209 1069 L C 1.955 178.729 176.870 -0.160 0.000 1.094 1069 L CA 1.029 55.815 54.840 -0.089 0.000 0.763 1069 L CB -0.758 41.300 42.059 -0.001 0.000 0.908 1069 L HN 0.013 nan 8.230 nan 0.000 0.437 1070 D N -0.397 119.871 120.400 -0.220 0.000 2.097 1070 D HA -0.181 4.471 4.640 0.019 0.000 0.195 1070 D C 2.356 178.442 176.300 -0.355 0.000 0.989 1070 D CA 0.979 54.832 54.000 -0.245 0.000 0.827 1070 D CB -0.198 40.447 40.800 -0.257 0.000 0.966 1070 D HN 0.240 nan 8.370 nan 0.000 0.456 1071 Q N 0.316 119.773 119.800 -0.573 0.000 2.061 1071 Q HA -0.105 4.247 4.340 0.019 0.000 0.204 1071 Q C 2.631 178.240 176.000 -0.652 0.000 0.984 1071 Q CA 0.743 56.102 55.803 -0.739 0.000 0.846 1071 Q CB -0.547 27.539 28.738 -1.087 0.000 0.902 1071 Q HN 0.445 nan 8.270 nan 0.000 0.421 1072 I N 1.080 121.420 120.570 -0.384 0.000 2.335 1072 I HA -0.239 3.942 4.170 0.019 0.000 0.251 1072 I C 2.067 178.151 176.117 -0.055 0.000 1.129 1072 I CA 1.113 62.390 61.300 -0.038 0.000 1.402 1072 I CB -0.215 37.879 38.000 0.157 0.000 1.069 1072 I HN 0.138 nan 8.210 nan 0.000 0.424 1073 E N 0.248 120.379 120.200 -0.114 0.000 2.230 1073 E HA -0.043 4.318 4.350 0.019 0.000 0.192 1073 E C 2.364 178.873 176.600 -0.152 0.000 0.987 1073 E CA 0.754 57.098 56.400 -0.094 0.000 0.841 1073 E CB -0.001 29.659 29.700 -0.067 0.000 0.783 1073 E HN 0.321 nan 8.360 nan 0.000 0.481 1074 V N 0.540 120.318 119.914 -0.226 0.000 2.809 1074 V HA -0.195 3.937 4.120 0.019 0.000 0.256 1074 V C 2.268 178.220 176.094 -0.237 0.000 1.080 1074 V CA 0.975 63.141 62.300 -0.223 0.000 1.102 1074 V CB -0.454 31.215 31.823 -0.258 0.000 0.705 1074 V HN 0.298 nan 8.190 nan 0.000 0.475 1075 C N -0.389 118.741 119.300 -0.284 0.000 2.457 1075 C HA -0.035 4.436 4.460 0.019 0.000 0.278 1075 C C 2.840 177.706 174.990 -0.207 0.000 1.309 1075 C CA 0.501 59.360 59.018 -0.264 0.000 1.735 1075 C CB -0.945 26.633 27.740 -0.270 0.000 1.992 1075 C HN 0.488 nan 8.230 nan 0.000 0.493 1076 R N 0.758 121.156 120.500 -0.170 0.000 2.119 1076 R HA -0.058 4.293 4.340 0.019 0.000 0.222 1076 R C 1.500 177.710 176.300 -0.149 0.000 1.088 1076 R CA 1.229 57.229 56.100 -0.166 0.000 0.984 1076 R CB -0.444 29.771 30.300 -0.141 0.000 0.884 1076 R HN 0.500 nan 8.270 nan 0.000 0.447 1077 D N 0.654 120.975 120.400 -0.131 0.000 2.117 1077 D HA -0.105 4.546 4.640 0.019 0.000 0.198 1077 D C 1.662 177.904 176.300 -0.096 0.000 0.982 1077 D CA 1.288 55.226 54.000 -0.103 0.000 0.828 1077 D CB 0.116 40.859 40.800 -0.096 0.000 0.967 1077 D HN -0.060 nan 8.370 nan 0.000 0.464 1078 K N -0.302 120.031 120.400 -0.113 0.000 2.228 1078 K HA 0.158 4.489 4.320 0.019 0.000 0.202 1078 K C 1.415 177.960 176.600 -0.091 0.000 1.051 1078 K CA 0.692 56.927 56.287 -0.087 0.000 0.960 1078 K CB -0.279 32.165 32.500 -0.093 0.000 0.743 1078 K HN 0.183 nan 8.250 nan 0.000 0.458 1079 G N 0.535 109.228 108.800 -0.178 0.000 2.692 1079 G HA2 -0.354 3.618 3.960 0.019 0.000 0.339 1079 G HA3 -0.354 3.618 3.960 0.019 0.000 0.339 1079 G C 0.712 175.435 174.900 -0.296 0.000 1.226 1079 G CA 0.841 45.757 45.100 -0.307 0.000 0.979 1079 G HN 0.506 nan 8.290 nan 0.000 0.549 1080 W N 1.740 123.046 121.300 0.010 0.000 3.278 1080 W HA 0.343 5.015 4.660 0.020 0.000 0.308 1080 W C 2.670 179.278 176.519 0.147 0.000 1.253 1080 W CA 0.438 57.831 57.345 0.080 0.000 1.759 1080 W CB -0.012 29.542 29.460 0.156 0.000 1.093 1080 W HN 0.488 nan 8.180 nan 0.000 0.648 1081 T N 0.860 115.568 114.554 0.257 0.000 2.580 1081 T HA -0.277 4.085 4.350 0.019 0.000 0.265 1081 T C 1.855 176.702 174.700 0.246 0.000 1.063 1081 T CA 2.099 64.338 62.100 0.233 0.000 1.170 1081 T CB -0.932 68.003 68.868 0.112 0.000 0.863 1081 T HN -0.035 nan 8.240 nan 0.000 0.418 1082 V N 1.548 121.545 119.914 0.138 0.000 2.332 1082 V HA -0.182 3.950 4.120 0.019 0.000 0.248 1082 V C 2.814 179.031 176.094 0.205 0.000 1.055 1082 V CA 1.494 63.832 62.300 0.064 0.000 1.038 1082 V CB -0.817 31.019 31.823 0.022 0.000 0.651 1082 V HN 0.321 nan 8.190 nan 0.000 0.450 1083 Q N -0.563 119.439 119.800 0.338 0.000 2.050 1083 Q HA -0.174 4.177 4.340 0.019 0.000 0.202 1083 Q C 2.123 178.457 176.000 0.556 0.000 0.980 1083 Q CA 1.970 58.016 55.803 0.405 0.000 0.840 1083 Q CB -0.624 28.251 28.738 0.228 0.000 0.898 1083 Q HN 0.705 nan 8.270 nan 0.000 0.424 1084 F N 1.539 121.784 119.950 0.492 0.000 2.186 1084 F HA -0.160 4.378 4.527 0.019 0.000 0.299 1084 F C 1.563 177.586 175.800 0.372 0.000 1.090 1084 F CA 1.395 59.691 58.000 0.494 0.000 1.307 1084 F CB -0.255 38.924 39.000 0.298 0.000 1.019 1084 F HN 0.103 nan 8.300 nan 0.000 0.489 1085 N N -0.694 118.084 118.700 0.129 0.000 2.188 1085 N HA -0.170 4.582 4.740 0.019 0.000 0.184 1085 N C 1.606 177.123 175.510 0.012 0.000 1.018 1085 N CA 1.779 54.783 53.050 -0.076 0.000 0.858 1085 N CB -0.536 37.889 38.487 -0.102 0.000 0.989 1085 N HN 0.433 nan 8.380 nan 0.000 0.426 1086 W N -0.010 121.370 121.300 0.133 0.000 2.358 1086 W HA -0.115 4.557 4.660 0.019 0.000 0.303 1086 W C 1.901 178.523 176.519 0.172 0.000 1.208 1086 W CA 0.286 57.716 57.345 0.142 0.000 1.274 1086 W CB -0.349 29.215 29.460 0.174 0.000 1.138 1086 W HN 0.037 nan 8.180 nan 0.000 0.515 1087 F N 0.454 120.600 119.950 0.328 0.000 2.102 1087 F HA -0.210 4.328 4.527 0.019 0.000 0.298 1087 F C 2.110 177.950 175.800 0.067 0.000 1.105 1087 F CA 1.730 59.860 58.000 0.216 0.000 1.239 1087 F CB -0.665 38.519 39.000 0.306 0.000 0.991 1087 F HN -0.272 nan 8.300 nan 0.000 0.474 1088 L N -0.465 120.805 121.223 0.078 0.000 1.989 1088 L HA -0.289 4.062 4.340 0.019 0.000 0.211 1088 L C 2.528 179.371 176.870 -0.045 0.000 1.071 1088 L CA 2.095 56.877 54.840 -0.096 0.000 0.749 1088 L CB -1.061 40.830 42.059 -0.280 0.000 0.890 1088 L HN 0.307 nan 8.230 nan 0.000 0.431 1089 H N -0.144 118.897 119.070 -0.048 0.000 2.256 1089 H HA -0.138 4.430 4.556 0.020 0.000 0.301 1089 H C 2.273 177.611 175.328 0.018 0.000 1.062 1089 H CA 1.904 57.954 56.048 0.004 0.000 1.283 1089 H CB 0.056 29.853 29.762 0.058 0.000 1.379 1089 H HN 0.080 nan 8.280 nan 0.000 0.493 1090 L N -0.484 120.950 121.223 0.352 0.000 2.007 1090 L HA -0.121 4.231 4.340 0.019 0.000 0.205 1090 L C 2.643 179.482 176.870 -0.052 0.000 1.073 1090 L CA 0.969 55.919 54.840 0.183 0.000 0.744 1090 L CB -0.371 41.777 42.059 0.149 0.000 0.898 1090 L HN 0.216 nan 8.230 nan 0.000 0.435 1091 V N -0.120 119.659 119.914 -0.226 0.000 2.427 1091 V HA -0.206 3.925 4.120 0.019 0.000 0.248 1091 V C 1.995 177.879 176.094 -0.351 0.000 1.051 1091 V CA 1.585 63.634 62.300 -0.418 0.000 1.048 1091 V CB -0.227 31.038 31.823 -0.930 0.000 0.666 1091 V HN 0.309 nan 8.190 nan 0.000 0.456 1092 L N -1.541 119.495 121.223 -0.312 0.000 2.630 1092 L HA 0.697 5.048 4.340 0.019 0.000 0.180 1092 L C 1.090 177.880 176.870 -0.133 0.000 1.221 1092 L CA 0.790 55.514 54.840 -0.194 0.000 0.853 1092 L CB -0.459 41.506 42.059 -0.157 0.000 1.172 1092 L HN 0.412 nan 8.230 nan 0.000 0.508 1093 G N 0.000 108.719 108.800 -0.134 0.000 5.446 1093 G HA2 0.000 3.972 3.960 0.019 0.000 0.244 1093 G HA3 0.000 3.972 3.960 0.019 0.000 0.244 1093 G CA 0.000 45.008 45.100 -0.153 0.000 0.502 1093 G HN 0.000 nan 8.290 nan 0.000 0.925