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 3nzs_1_A DATA FIRST_RESID 147 DATA SEQUENCE SQAFQRQLTA LIGYDVTDVS NVHDDELEFT RRGLVTPRMA EVASRDPKLY DATA SEQUENCE AMHPWVTSKP LPEYLWKKIA NNCIFIVIHR STTSQTIKVS PDDTPGAILQ DATA SEQUENCE SFFTXXXXXX XXXXXXXXXX XXDFVLRVCG RDEYLVGETP IKNFQWVRHC DATA SEQUENCE LKNGEEIHVV LDTPPDPALD EVRKXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXSLWD CDRKFRVKIR GIDIPVLPRN TDLTVFVEAN IQHGQQVLCQ DATA SEQUENCE RRTSPKPFTE EVLWNVWLEF SIKIKDLPKG ALLNLQIYCX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXQLLYYVNL LLIDHRFLLR RGEYVLHMWQ IXXXXXXXXS DATA SEQUENCE FNADKLTSAT NPDKENSMSI SILLDXXXXX XALPKXXXXX XXXXXXXXXE DATA SEQUENCE MPNQLRKQLE AIIATDPLNP LTAEDKELLW HFRYESLKHP KAYPKLFSSV DATA SEQUENCE KWGQQEIVAK TYQLLARREV WDQSALDVGL TMQLLDCNFS DENVRAIAVQ DATA SEQUENCE KLESLEDDDV LHYLLQLVQA VKFEPYHDSA LARFLLKRGL RNKRIGHFLF DATA SEQUENCE WFLRSEIAQS RHYQQRFAVI LEAYLRGCGT AMLHDFTQQV QVIEMLQKVT DATA SEQUENCE LDIKSLXXXX YDVSSQVISQ LKQKLENLQN SQLPESFRVP YDPGLKAGAL DATA SEQUENCE AIEKCKVMAS KKKPLWLEFK CADPTALSNE TIGIIFKHGD DLRQDMLILQ DATA SEQUENCE ILRIMESIWE TESLDLCLLP YGCISTGDKI GMIEIVKDAT TIAKIQQSTV DATA SEQUENCE GNTGAFKDEV LNHWLKEKSP TEEKFQAAVE RFVYSCAGYC VATFVLGIGD DATA SEQUENCE RHNDNIMITE TGNLFHIDFG HIXXXXXXXX XXXXXRVPFV LTPDFLFVMG DATA SEQUENCE TSGKKTSPHF QKFQDICVKA YLALRHHTNL LIILFSMMLM TGMPQLTSKE DATA SEQUENCE DIEYIRDALT VGKNEEDAKK YFLDQIEVCR DKGWTVQFNW FLHLVL 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 147 S HA 0.000 nan 4.470 nan 0.000 0.327 147 S C 0.000 174.684 174.600 0.140 0.000 1.055 147 S CA 0.000 58.243 58.200 0.072 0.000 1.107 147 S CB 0.000 63.218 63.200 0.030 0.000 0.593 148 Q N 2.543 122.396 119.800 0.089 0.000 2.083 148 Q HA 0.422 4.769 4.340 0.012 0.000 0.198 148 Q C 2.014 178.062 176.000 0.080 0.000 0.969 148 Q CA 2.027 57.874 55.803 0.073 0.000 0.838 148 Q CB -0.572 28.191 28.738 0.042 0.000 0.900 148 Q HN 0.809 nan 8.270 nan 0.000 0.436 149 A N -0.959 121.915 122.820 0.090 0.000 2.235 149 A HA -0.019 4.309 4.320 0.012 0.000 0.208 149 A C 1.582 179.244 177.584 0.130 0.000 1.172 149 A CA 0.417 52.504 52.037 0.083 0.000 0.786 149 A CB -0.627 18.415 19.000 0.071 0.000 0.804 149 A HN 0.490 nan 8.150 nan 0.000 0.479 150 F N 0.142 120.094 119.950 0.003 0.000 2.220 150 F HA 0.014 4.548 4.527 0.011 0.000 0.290 150 F C 2.225 178.028 175.800 0.006 0.000 1.080 150 F CA 1.767 59.770 58.000 0.005 0.000 1.318 150 F CB -0.280 38.720 39.000 0.001 0.000 1.063 150 F HN 0.300 nan 8.300 nan 0.000 0.498 151 Q N 0.847 120.635 119.800 -0.021 0.000 2.170 151 Q HA -0.147 4.200 4.340 0.012 0.000 0.203 151 Q C 2.166 178.097 176.000 -0.115 0.000 0.976 151 Q CA 1.661 57.396 55.803 -0.113 0.000 0.858 151 Q CB -0.244 28.492 28.738 -0.004 0.000 0.907 151 Q HN 0.390 nan 8.270 nan 0.000 0.433 152 R N -0.474 119.990 120.500 -0.060 0.000 2.075 152 R HA -0.149 4.198 4.340 0.012 0.000 0.232 152 R C 2.351 178.607 176.300 -0.074 0.000 1.126 152 R CA 1.525 57.596 56.100 -0.049 0.000 0.963 152 R CB -0.298 29.994 30.300 -0.013 0.000 0.858 152 R HN 0.455 nan 8.270 nan 0.000 0.435 153 Q N 1.092 120.831 119.800 -0.102 0.000 2.050 153 Q HA -0.142 4.205 4.340 0.012 0.000 0.202 153 Q C 2.124 178.032 176.000 -0.153 0.000 0.980 153 Q CA 1.318 57.057 55.803 -0.107 0.000 0.840 153 Q CB -0.004 28.676 28.738 -0.096 0.000 0.898 153 Q HN 0.337 nan 8.270 nan 0.000 0.424 154 L N -0.061 120.998 121.223 -0.273 0.000 2.046 154 L HA -0.182 4.165 4.340 0.012 0.000 0.208 154 L C 2.492 179.293 176.870 -0.115 0.000 1.077 154 L CA 1.566 56.271 54.840 -0.226 0.000 0.747 154 L CB -0.719 41.152 42.059 -0.312 0.000 0.896 154 L HN 0.269 nan 8.230 nan 0.000 0.432 155 T N -0.025 114.468 114.554 -0.101 0.000 2.788 155 T HA -0.139 4.219 4.350 0.012 0.000 0.268 155 T C 1.929 176.605 174.700 -0.040 0.000 1.044 155 T CA 1.354 63.418 62.100 -0.060 0.000 1.139 155 T CB -0.184 68.643 68.868 -0.067 0.000 0.867 155 T HN 0.450 nan 8.240 nan 0.000 0.454 156 A N 0.409 123.205 122.820 -0.040 0.000 2.067 156 A HA 0.259 4.587 4.320 0.012 0.000 0.217 156 A C 2.147 179.727 177.584 -0.007 0.000 1.156 156 A CA 0.627 52.654 52.037 -0.018 0.000 0.683 156 A CB -0.496 18.496 19.000 -0.013 0.000 0.808 156 A HN 0.461 nan 8.150 nan 0.000 0.455 157 L N -0.936 120.277 121.223 -0.016 0.000 2.375 157 L HA 0.110 4.457 4.340 0.012 0.000 0.215 157 L C 2.054 178.905 176.870 -0.031 0.000 1.108 157 L CA 0.491 55.339 54.840 0.013 0.000 0.830 157 L CB -0.033 42.042 42.059 0.027 0.000 0.959 157 L HN 0.385 nan 8.230 nan 0.000 0.457 158 I N -1.129 119.409 120.570 -0.052 0.000 2.628 158 I HA 0.049 4.226 4.170 0.012 0.000 0.255 158 I C 1.533 177.621 176.117 -0.048 0.000 1.119 158 I CA 0.923 62.172 61.300 -0.085 0.000 1.448 158 I CB -0.039 37.946 38.000 -0.024 0.000 1.133 158 I HN 0.347 nan 8.210 nan 0.000 0.438 159 G N 0.616 109.420 108.800 0.006 0.000 2.132 159 G HA2 -0.308 3.659 3.960 0.012 0.000 0.234 159 G HA3 -0.308 3.659 3.960 0.012 0.000 0.234 159 G C -0.164 174.817 174.900 0.136 0.000 0.989 159 G CA 0.031 45.158 45.100 0.044 0.000 0.676 159 G HN 0.374 nan 8.290 nan 0.000 0.522 160 Y N -0.337 119.942 120.300 -0.035 0.000 2.521 160 Y HA 0.490 5.048 4.550 0.012 0.000 0.328 160 Y C -1.619 174.262 175.900 -0.031 0.000 1.151 160 Y CA -1.021 57.065 58.100 -0.024 0.000 1.054 160 Y CB 1.818 40.269 38.460 -0.015 0.000 1.338 160 Y HN 0.072 nan 8.280 nan 0.000 0.453 161 D N 3.764 123.828 120.400 -0.559 0.000 2.380 161 D HA 0.230 4.877 4.640 0.012 0.000 0.230 161 D C 0.768 176.939 176.300 -0.216 0.000 1.154 161 D CA -0.037 53.770 54.000 -0.321 0.000 0.859 161 D CB 1.296 41.910 40.800 -0.311 0.000 1.045 161 D HN 0.478 nan 8.370 nan 0.000 0.495 162 V N 1.890 121.819 119.914 0.025 0.000 3.510 162 V HA 0.021 4.148 4.120 0.012 0.000 0.270 162 V C 1.334 177.450 176.094 0.038 0.000 1.201 162 V CA 1.442 63.808 62.300 0.110 0.000 1.166 162 V CB -0.931 30.950 31.823 0.096 0.000 0.825 162 V HN 0.626 nan 8.190 nan 0.000 0.484 163 T N -3.223 111.322 114.554 -0.015 0.000 3.040 163 T HA 0.154 4.511 4.350 0.012 0.000 0.250 163 T C 0.511 175.195 174.700 -0.027 0.000 1.058 163 T CA 0.432 62.524 62.100 -0.013 0.000 0.988 163 T CB -0.365 68.492 68.868 -0.018 0.000 0.993 163 T HN 0.565 nan 8.240 nan 0.000 0.519 164 D N 2.240 122.601 120.400 -0.065 0.000 2.346 164 D HA 0.220 4.867 4.640 0.012 0.000 0.260 164 D C 1.059 177.347 176.300 -0.019 0.000 1.252 164 D CA -0.241 53.713 54.000 -0.076 0.000 0.895 164 D CB 1.082 41.777 40.800 -0.175 0.000 1.097 164 D HN 0.208 nan 8.370 nan 0.000 0.489 165 V N 1.715 121.625 119.914 -0.007 0.000 3.177 165 V HA 0.132 4.259 4.120 0.012 0.000 0.342 165 V C 1.439 177.541 176.094 0.013 0.000 1.379 165 V CA 0.404 62.713 62.300 0.015 0.000 1.191 165 V CB -0.394 31.441 31.823 0.020 0.000 1.167 165 V HN 0.536 nan 8.190 nan 0.000 0.471 166 S N 0.224 115.923 115.700 -0.002 0.000 2.428 166 S HA -0.020 4.458 4.470 0.012 0.000 0.230 166 S C 1.282 175.883 174.600 0.002 0.000 1.014 166 S CA 1.278 59.472 58.200 -0.009 0.000 0.957 166 S CB -0.571 62.610 63.200 -0.032 0.000 0.784 166 S HN 0.595 nan 8.310 nan 0.000 0.499 167 N N 1.425 120.138 118.700 0.022 0.000 2.908 167 N HA 0.335 5.082 4.740 0.012 0.000 0.316 167 N C -0.840 174.709 175.510 0.065 0.000 1.619 167 N CA -0.347 52.722 53.050 0.033 0.000 1.045 167 N CB 0.911 39.419 38.487 0.035 0.000 1.357 167 N HN 0.427 nan 8.380 nan 0.000 0.501 168 V N -1.038 118.917 119.914 0.070 0.000 3.049 168 V HA 0.563 4.690 4.120 0.012 0.000 0.309 168 V C 0.296 176.457 176.094 0.112 0.000 1.148 168 V CA -0.753 61.581 62.300 0.057 0.000 0.990 168 V CB 1.946 33.783 31.823 0.023 0.000 1.039 168 V HN 0.430 nan 8.190 nan 0.000 0.430 169 H N 0.478 119.623 119.070 0.126 0.000 2.923 169 H HA 0.442 5.005 4.556 0.012 0.000 0.268 169 H C -0.534 174.897 175.328 0.172 0.000 1.148 169 H CA 0.387 56.524 56.048 0.148 0.000 1.146 169 H CB 0.750 30.654 29.762 0.237 0.000 1.607 169 H HN 0.916 nan 8.280 nan 0.000 0.566 170 D N 0.842 121.189 120.400 -0.088 0.000 2.946 170 D HA -0.018 4.630 4.640 0.012 0.000 0.337 170 D C -0.484 175.848 176.300 0.053 0.000 1.332 170 D CA -0.280 53.739 54.000 0.031 0.000 0.935 170 D CB 0.597 41.432 40.800 0.057 0.000 1.440 170 D HN 0.097 nan 8.370 nan 0.000 0.540 171 D N -1.182 119.302 120.400 0.140 0.000 2.623 171 D HA 0.055 4.702 4.640 0.012 0.000 0.252 171 D C 0.723 177.052 176.300 0.049 0.000 1.294 171 D CA -0.250 53.826 54.000 0.126 0.000 0.824 171 D CB 0.359 41.262 40.800 0.172 0.000 1.070 171 D HN 0.567 nan 8.370 nan 0.000 0.487 172 E N 0.792 120.927 120.200 -0.109 0.000 2.051 172 E HA -0.146 4.211 4.350 0.012 0.000 0.192 172 E C 1.875 178.480 176.600 0.009 0.000 0.991 172 E CA 0.736 56.860 56.400 -0.461 0.000 0.799 172 E CB 0.078 29.627 29.700 -0.251 0.000 0.748 172 E HN 0.290 nan 8.360 nan 0.000 0.449 173 L N 0.565 121.848 121.223 0.100 0.000 1.989 173 L HA -0.210 4.137 4.340 0.012 0.000 0.211 173 L C 2.752 179.653 176.870 0.052 0.000 1.071 173 L CA 1.650 56.515 54.840 0.041 0.000 0.749 173 L CB -0.436 41.602 42.059 -0.037 0.000 0.890 173 L HN 0.184 nan 8.230 nan 0.000 0.431 174 E N 0.090 120.331 120.200 0.069 0.000 2.110 174 E HA -0.272 4.085 4.350 0.012 0.000 0.193 174 E C 1.940 178.599 176.600 0.098 0.000 0.988 174 E CA 1.290 57.735 56.400 0.074 0.000 0.804 174 E CB -0.312 29.438 29.700 0.083 0.000 0.745 174 E HN 0.373 nan 8.360 nan 0.000 0.458 175 F N 0.304 120.244 119.950 -0.017 0.000 2.171 175 F HA -0.144 4.391 4.527 0.012 0.000 0.300 175 F C 2.028 177.830 175.800 0.002 0.000 1.090 175 F CA 1.836 59.835 58.000 -0.002 0.000 1.293 175 F CB -0.426 38.550 39.000 -0.038 0.000 1.013 175 F HN -0.018 nan 8.300 nan 0.000 0.486 176 T N 0.646 115.246 114.554 0.076 0.000 2.857 176 T HA -0.109 4.249 4.350 0.012 0.000 0.266 176 T C 1.982 176.652 174.700 -0.051 0.000 1.048 176 T CA 1.177 63.288 62.100 0.018 0.000 1.139 176 T CB -0.227 68.714 68.868 0.122 0.000 0.874 176 T HN 0.261 nan 8.240 nan 0.000 0.455 177 R N 0.969 121.451 120.500 -0.029 0.000 2.103 177 R HA -0.061 4.286 4.340 0.012 0.000 0.242 177 R C 2.675 178.937 176.300 -0.063 0.000 1.142 177 R CA 1.381 57.465 56.100 -0.026 0.000 0.960 177 R CB -0.208 30.090 30.300 -0.004 0.000 0.858 177 R HN 0.387 nan 8.270 nan 0.000 0.439 178 R N -0.577 119.849 120.500 -0.123 0.000 2.090 178 R HA -0.017 4.330 4.340 0.012 0.000 0.228 178 R C 2.408 178.589 176.300 -0.199 0.000 1.110 178 R CA 1.132 57.140 56.100 -0.154 0.000 0.973 178 R CB -0.372 29.816 30.300 -0.187 0.000 0.869 178 R HN 0.300 nan 8.270 nan 0.000 0.440 179 G N 0.942 109.556 108.800 -0.309 0.000 2.471 179 G HA2 -0.166 3.801 3.960 0.012 0.000 0.219 179 G HA3 -0.166 3.801 3.960 0.012 0.000 0.219 179 G C 1.325 176.163 174.900 -0.103 0.000 1.125 179 G CA 0.345 45.291 45.100 -0.257 0.000 0.775 179 G HN 0.140 nan 8.290 nan 0.000 0.548 180 L N 0.329 121.511 121.223 -0.068 0.000 2.509 180 L HA 0.091 4.438 4.340 0.012 0.000 0.222 180 L C 2.630 179.492 176.870 -0.013 0.000 1.123 180 L CA -0.255 54.576 54.840 -0.015 0.000 0.856 180 L CB 0.121 42.186 42.059 0.011 0.000 0.985 180 L HN 0.031 nan 8.230 nan 0.000 0.456 181 V N -0.178 119.718 119.914 -0.031 0.000 2.287 181 V HA -0.310 3.817 4.120 0.012 0.000 0.248 181 V C 2.543 178.626 176.094 -0.019 0.000 1.053 181 V CA 2.482 64.768 62.300 -0.022 0.000 1.027 181 V CB -0.793 31.012 31.823 -0.030 0.000 0.646 181 V HN 0.456 nan 8.190 nan 0.000 0.447 182 T N 0.337 114.877 114.554 -0.024 0.000 2.622 182 T HA -0.116 4.242 4.350 0.012 0.000 0.266 182 T C 0.046 174.742 174.700 -0.007 0.000 1.047 182 T CA 2.175 64.266 62.100 -0.016 0.000 1.159 182 T CB -1.274 67.584 68.868 -0.016 0.000 0.863 182 T HN 0.440 nan 8.240 nan 0.000 0.422 183 P HA -0.037 nan 4.420 nan 0.000 0.218 183 P C 1.478 178.781 177.300 0.005 0.000 1.148 183 P CA 1.009 64.116 63.100 0.011 0.000 0.822 183 P CB -0.032 31.684 31.700 0.027 0.000 0.784 184 R N -0.263 120.238 120.500 0.002 0.000 2.070 184 R HA -0.057 4.291 4.340 0.012 0.000 0.233 184 R C 2.098 178.384 176.300 -0.024 0.000 1.137 184 R CA 1.829 57.926 56.100 -0.004 0.000 0.945 184 R CB -0.550 29.750 30.300 -0.000 0.000 0.845 184 R HN 0.144 nan 8.270 nan 0.000 0.430 185 M N -0.431 119.155 119.600 -0.024 0.000 2.349 185 M HA 0.030 4.517 4.480 0.012 0.000 0.266 185 M C 2.280 178.559 176.300 -0.035 0.000 1.076 185 M CA 1.196 56.475 55.300 -0.034 0.000 1.126 185 M CB 0.071 32.654 32.600 -0.028 0.000 1.392 185 M HN 0.239 nan 8.290 nan 0.000 0.440 186 A N 0.053 122.858 122.820 -0.025 0.000 2.066 186 A HA -0.135 4.192 4.320 0.012 0.000 0.218 186 A C 1.998 179.564 177.584 -0.030 0.000 1.157 186 A CA 1.742 53.766 52.037 -0.021 0.000 0.670 186 A CB -0.341 18.654 19.000 -0.008 0.000 0.804 186 A HN 0.400 nan 8.150 nan 0.000 0.453 187 E N -0.730 119.447 120.200 -0.038 0.000 2.216 187 E HA 0.036 4.393 4.350 0.012 0.000 0.192 187 E C 1.656 178.198 176.600 -0.096 0.000 0.973 187 E CA 0.838 57.206 56.400 -0.053 0.000 0.851 187 E CB -0.074 29.602 29.700 -0.040 0.000 0.804 187 E HN 0.179 nan 8.360 nan 0.000 0.477 188 V N 0.701 120.553 119.914 -0.103 0.000 2.427 188 V HA -0.089 4.039 4.120 0.012 0.000 0.248 188 V C 2.042 178.060 176.094 -0.128 0.000 1.051 188 V CA 1.681 63.892 62.300 -0.148 0.000 1.048 188 V CB -0.465 31.286 31.823 -0.121 0.000 0.666 188 V HN 0.395 nan 8.190 nan 0.000 0.456 189 A N -0.095 122.674 122.820 -0.085 0.000 2.278 189 A HA 0.113 4.440 4.320 0.012 0.000 0.212 189 A C 1.905 179.454 177.584 -0.059 0.000 1.213 189 A CA 0.963 52.960 52.037 -0.067 0.000 0.840 189 A CB -0.193 18.778 19.000 -0.048 0.000 0.866 189 A HN 0.632 nan 8.150 nan 0.000 0.489 190 S N -0.618 115.041 115.700 -0.067 0.000 2.780 190 S HA 0.190 4.668 4.470 0.012 0.000 0.248 190 S C 0.464 175.032 174.600 -0.054 0.000 1.036 190 S CA -0.582 57.589 58.200 -0.049 0.000 1.061 190 S CB -0.165 63.015 63.200 -0.033 0.000 1.037 190 S HN 0.663 nan 8.310 nan 0.000 0.584 191 R N 1.031 121.476 120.500 -0.091 0.000 2.368 191 R HA 0.519 4.866 4.340 0.012 0.000 0.302 191 R C -1.289 174.976 176.300 -0.058 0.000 1.002 191 R CA -0.548 55.498 56.100 -0.091 0.000 0.929 191 R CB 0.396 30.575 30.300 -0.202 0.000 1.073 191 R HN -0.042 nan 8.270 nan 0.000 0.464 192 D N 4.191 124.588 120.400 -0.005 0.000 2.363 192 D HA 0.074 4.721 4.640 0.012 0.000 0.263 192 D C -1.525 174.803 176.300 0.048 0.000 1.258 192 D CA -2.183 51.826 54.000 0.015 0.000 0.907 192 D CB 1.366 42.181 40.800 0.026 0.000 1.107 192 D HN 0.354 nan 8.370 nan 0.000 0.495 193 P HA -0.181 nan 4.420 nan 0.000 0.216 193 P C 0.901 178.244 177.300 0.072 0.000 1.153 193 P CA 1.601 64.736 63.100 0.058 0.000 0.858 193 P CB 0.253 31.961 31.700 0.013 0.000 0.789 194 K N -0.657 119.756 120.400 0.023 0.000 2.007 194 K HA -0.016 4.311 4.320 0.012 0.000 0.206 194 K C 2.130 178.714 176.600 -0.028 0.000 1.047 194 K CA 1.104 57.379 56.287 -0.021 0.000 0.937 194 K CB -0.800 31.680 32.500 -0.033 0.000 0.718 194 K HN 0.129 nan 8.250 nan 0.000 0.438 195 L N 0.135 121.368 121.223 0.015 0.000 2.191 195 L HA -0.179 4.168 4.340 0.012 0.000 0.212 195 L C 2.454 179.362 176.870 0.064 0.000 1.103 195 L CA 0.922 55.776 54.840 0.024 0.000 0.769 195 L CB -0.338 41.752 42.059 0.052 0.000 0.908 195 L HN 0.218 nan 8.230 nan 0.000 0.438 196 Y N 0.527 120.816 120.300 -0.019 0.000 2.314 196 Y HA -0.109 4.448 4.550 0.013 0.000 0.293 196 Y C 2.391 178.298 175.900 0.012 0.000 1.129 196 Y CA 0.926 59.031 58.100 0.008 0.000 1.201 196 Y CB -0.079 38.380 38.460 -0.001 0.000 0.999 196 Y HN 0.070 nan 8.280 nan 0.000 0.541 197 A N -0.250 122.514 122.820 -0.094 0.000 2.016 197 A HA -0.045 4.282 4.320 0.012 0.000 0.217 197 A C 2.038 179.461 177.584 -0.267 0.000 1.162 197 A CA 1.543 53.466 52.037 -0.190 0.000 0.662 197 A CB -0.513 18.412 19.000 -0.125 0.000 0.812 197 A HN 0.546 nan 8.150 nan 0.000 0.450 198 M N -0.499 118.888 119.600 -0.355 0.000 2.414 198 M HA 0.077 4.565 4.480 0.012 0.000 0.251 198 M C 0.109 175.979 176.300 -0.718 0.000 1.116 198 M CA 0.322 55.213 55.300 -0.680 0.000 1.056 198 M CB -0.021 32.171 32.600 -0.680 0.000 1.388 198 M HN 0.731 nan 8.290 nan 0.000 0.487 199 H N -1.004 118.003 119.070 -0.105 0.000 2.415 199 H HA -0.090 4.473 4.556 0.012 0.000 0.323 199 H C -2.571 172.813 175.328 0.092 0.000 1.035 199 H CA -0.498 55.530 56.048 -0.033 0.000 1.098 199 H CB -2.298 27.402 29.762 -0.104 0.000 1.575 199 H HN 0.157 nan 8.280 nan 0.000 0.387 200 P HA -0.090 nan 4.420 nan 0.000 0.262 200 P C 0.049 177.546 177.300 0.329 0.000 1.182 200 P CA 0.249 63.490 63.100 0.235 0.000 0.761 200 P CB 0.265 32.096 31.700 0.219 0.000 0.795 201 W N 6.982 128.390 121.300 0.181 0.000 2.295 201 W HA 0.426 5.093 4.660 0.012 0.000 0.333 201 W C -1.051 175.497 176.519 0.048 0.000 0.990 201 W CA -0.870 56.551 57.345 0.127 0.000 1.453 201 W CB 0.096 29.653 29.460 0.163 0.000 1.263 201 W HN 0.176 nan 8.180 nan 0.000 0.380 202 V N 3.018 123.044 119.914 0.186 0.000 3.126 202 V HA 0.917 5.045 4.120 0.012 0.000 0.314 202 V C -0.766 175.286 176.094 -0.070 0.000 1.138 202 V CA -0.835 61.369 62.300 -0.161 0.000 1.034 202 V CB 1.561 33.161 31.823 -0.371 0.000 1.075 202 V HN 0.354 nan 8.190 nan 0.000 0.442 203 T N -0.166 114.300 114.554 -0.147 0.000 2.916 203 T HA 0.518 4.875 4.350 0.012 0.000 0.305 203 T C 0.255 174.909 174.700 -0.077 0.000 1.119 203 T CA 0.263 62.318 62.100 -0.076 0.000 1.008 203 T CB 2.004 70.824 68.868 -0.081 0.000 1.129 203 T HN 0.889 nan 8.240 nan 0.000 0.480 204 S N 1.907 117.587 115.700 -0.033 0.000 2.540 204 S HA 0.238 4.715 4.470 0.012 0.000 0.218 204 S C 0.503 175.099 174.600 -0.007 0.000 0.977 204 S CA -0.295 57.891 58.200 -0.023 0.000 0.918 204 S CB 0.014 63.211 63.200 -0.006 0.000 0.806 204 S HN 0.583 nan 8.310 nan 0.000 0.496 205 K N 2.617 123.014 120.400 -0.005 0.000 2.355 205 K HA 0.208 4.535 4.320 0.012 0.000 0.270 205 K C -2.757 173.843 176.600 -0.000 0.000 1.003 205 K CA -1.377 54.915 56.287 0.008 0.000 0.957 205 K CB -0.130 32.381 32.500 0.018 0.000 0.939 205 K HN -0.007 nan 8.250 nan 0.000 0.482 206 P HA -0.019 nan 4.420 nan 0.000 0.271 206 P C -0.754 176.553 177.300 0.012 0.000 1.216 206 P CA -0.509 62.621 63.100 0.049 0.000 0.771 206 P CB 0.379 32.123 31.700 0.075 0.000 0.864 207 L N 6.674 127.890 121.223 -0.012 0.000 2.534 207 L HA 0.182 4.529 4.340 0.012 0.000 0.271 207 L C -2.113 174.668 176.870 -0.148 0.000 1.178 207 L CA -1.317 53.390 54.840 -0.221 0.000 0.907 207 L CB -0.803 40.872 42.059 -0.640 0.000 1.164 207 L HN 0.325 nan 8.230 nan 0.000 0.482 208 P HA -0.003 nan 4.420 nan 0.000 0.271 208 P C 0.149 177.276 177.300 -0.288 0.000 1.233 208 P CA 0.035 62.895 63.100 -0.400 0.000 0.795 208 P CB 0.469 31.596 31.700 -0.955 0.000 0.936 209 E N 0.050 120.109 120.200 -0.235 0.000 2.072 209 E HA -0.180 4.177 4.350 0.012 0.000 0.190 209 E C 1.683 178.273 176.600 -0.016 0.000 0.982 209 E CA 1.183 57.591 56.400 0.014 0.000 0.803 209 E CB -0.521 29.206 29.700 0.045 0.000 0.755 209 E HN 0.622 nan 8.360 nan 0.000 0.453 210 Y N -0.238 120.102 120.300 0.067 0.000 2.639 210 Y HA 0.020 4.577 4.550 0.012 0.000 0.297 210 Y C 1.651 177.547 175.900 -0.008 0.000 1.151 210 Y CA 0.443 58.552 58.100 0.015 0.000 1.335 210 Y CB -0.440 38.001 38.460 -0.031 0.000 0.994 210 Y HN -0.054 nan 8.280 nan 0.000 0.548 211 L N -2.435 118.714 121.223 -0.123 0.000 2.515 211 L HA 0.102 4.449 4.340 0.012 0.000 0.223 211 L C 1.715 178.506 176.870 -0.133 0.000 1.079 211 L CA 0.095 54.864 54.840 -0.118 0.000 0.857 211 L CB -0.254 41.654 42.059 -0.253 0.000 1.050 211 L HN 0.254 nan 8.230 nan 0.000 0.476 212 W N 1.386 122.626 121.300 -0.098 0.000 2.388 212 W HA -0.138 4.530 4.660 0.013 0.000 0.294 212 W C 2.236 178.733 176.519 -0.037 0.000 1.212 212 W CA 0.872 58.176 57.345 -0.067 0.000 1.271 212 W CB 0.167 29.583 29.460 -0.073 0.000 1.126 212 W HN -0.043 nan 8.180 nan 0.000 0.535 213 K N 0.194 120.722 120.400 0.214 0.000 2.504 213 K HA -0.080 4.248 4.320 0.012 0.000 0.195 213 K C 1.510 178.164 176.600 0.089 0.000 1.036 213 K CA 0.601 56.968 56.287 0.134 0.000 0.984 213 K CB -0.077 32.485 32.500 0.104 0.000 0.788 213 K HN -0.037 nan 8.250 nan 0.000 0.488 214 K N 0.610 121.049 120.400 0.066 0.000 2.418 214 K HA 0.117 4.445 4.320 0.012 0.000 0.195 214 K C 0.760 177.379 176.600 0.031 0.000 1.035 214 K CA 0.451 56.755 56.287 0.028 0.000 1.003 214 K CB 0.214 32.707 32.500 -0.011 0.000 0.793 214 K HN 0.183 nan 8.250 nan 0.000 0.494 215 I N 0.041 120.646 120.570 0.060 0.000 2.488 215 I HA 0.116 4.294 4.170 0.012 0.000 0.299 215 I C 1.177 177.342 176.117 0.081 0.000 0.984 215 I CA -0.477 60.861 61.300 0.063 0.000 1.250 215 I CB 1.860 39.911 38.000 0.085 0.000 1.389 215 I HN -0.106 nan 8.210 nan 0.000 0.488 216 A N 4.390 127.248 122.820 0.063 0.000 1.908 216 A HA 0.106 4.434 4.320 0.012 0.000 0.217 216 A C 1.037 178.651 177.584 0.049 0.000 1.378 216 A CA 0.782 52.857 52.037 0.063 0.000 0.613 216 A CB -0.200 18.849 19.000 0.082 0.000 1.053 216 A HN 0.731 nan 8.150 nan 0.000 0.484 217 N N 0.309 119.024 118.700 0.025 0.000 2.401 217 N HA 0.161 4.909 4.740 0.012 0.000 0.264 217 N C -0.797 174.717 175.510 0.006 0.000 1.238 217 N CA -0.111 52.948 53.050 0.014 0.000 0.889 217 N CB 0.377 38.867 38.487 0.004 0.000 1.196 217 N HN 0.374 nan 8.380 nan 0.000 0.511 218 N N -0.784 117.939 118.700 0.038 0.000 2.741 218 N HA -0.201 4.547 4.740 0.012 0.000 0.250 218 N C -0.689 174.799 175.510 -0.037 0.000 1.115 218 N CA 0.551 53.632 53.050 0.052 0.000 0.724 218 N CB -1.841 36.685 38.487 0.064 0.000 1.090 218 N HN 0.393 nan 8.380 nan 0.000 0.558 219 C N 1.460 120.693 119.300 -0.111 0.000 2.317 219 C HA 0.588 5.056 4.460 0.012 0.000 0.306 219 C C 0.413 175.144 174.990 -0.432 0.000 1.087 219 C CA -0.947 57.903 59.018 -0.279 0.000 1.529 219 C CB -1.137 26.405 27.740 -0.330 0.000 1.880 219 C HN 0.265 nan 8.230 nan 0.000 0.417 220 I N 5.909 126.285 120.570 -0.323 0.000 2.342 220 I HA 0.336 4.513 4.170 0.012 0.000 0.291 220 I C -0.276 175.654 176.117 -0.312 0.000 1.010 220 I CA -0.076 61.069 61.300 -0.258 0.000 1.308 220 I CB 0.764 38.688 38.000 -0.127 0.000 1.400 220 I HN 0.438 nan 8.210 nan 0.000 0.488 221 F N 6.767 126.698 119.950 -0.032 0.000 2.396 221 F HA 0.450 4.984 4.527 0.012 0.000 0.343 221 F C 0.400 176.162 175.800 -0.063 0.000 1.104 221 F CA -0.272 57.705 58.000 -0.038 0.000 1.161 221 F CB 0.661 39.637 39.000 -0.040 0.000 1.146 221 F HN 0.203 nan 8.300 nan 0.000 0.522 222 I N 3.938 124.578 120.570 0.117 0.000 2.503 222 I HA 0.215 4.392 4.170 0.012 0.000 0.282 222 I C -1.069 175.058 176.117 0.017 0.000 1.059 222 I CA -0.778 60.536 61.300 0.022 0.000 1.081 222 I CB 1.544 39.543 38.000 -0.001 0.000 1.210 222 I HN 0.169 nan 8.210 nan 0.000 0.450 223 V N 7.012 126.886 119.914 -0.067 0.000 2.508 223 V HA 0.285 4.412 4.120 0.012 0.000 0.281 223 V C 0.364 176.551 176.094 0.155 0.000 1.041 223 V CA 0.103 62.398 62.300 -0.009 0.000 1.016 223 V CB 0.824 32.562 31.823 -0.141 0.000 0.984 223 V HN 0.455 nan 8.190 nan 0.000 0.478 224 I N 5.300 125.965 120.570 0.158 0.000 2.441 224 I HA 0.543 4.720 4.170 0.012 0.000 0.295 224 I C -0.091 176.182 176.117 0.260 0.000 0.994 224 I CA -0.521 60.874 61.300 0.157 0.000 1.144 224 I CB 1.407 39.288 38.000 -0.199 0.000 1.314 224 I HN 0.668 nan 8.210 nan 0.000 0.445 225 H N 4.751 123.784 119.070 -0.061 0.000 2.747 225 H HA 0.515 5.078 4.556 0.012 0.000 0.371 225 H C -0.234 175.052 175.328 -0.071 0.000 1.161 225 H CA -0.920 55.111 56.048 -0.028 0.000 1.167 225 H CB 2.497 32.260 29.762 0.003 0.000 1.732 225 H HN 0.604 nan 8.280 nan 0.000 0.544 226 R N -0.410 120.132 120.500 0.070 0.000 2.635 226 R HA 0.352 4.699 4.340 0.012 0.000 0.241 226 R C -0.060 176.243 176.300 0.004 0.000 0.941 226 R CA 0.148 56.242 56.100 -0.010 0.000 1.014 226 R CB 0.622 30.881 30.300 -0.069 0.000 1.517 226 R HN 0.361 nan 8.270 nan 0.000 0.594 227 S N -0.316 115.399 115.700 0.024 0.000 4.948 227 S HA 0.072 4.549 4.470 0.012 0.000 0.154 227 S C 0.893 175.510 174.600 0.030 0.000 1.026 227 S CA 0.490 58.702 58.200 0.020 0.000 1.308 227 S CB 1.108 64.311 63.200 0.006 0.000 1.915 227 S HN 0.404 nan 8.310 nan 0.000 0.680 228 T N 0.339 114.905 114.554 0.020 0.000 3.029 228 T HA 0.215 4.573 4.350 0.012 0.000 0.256 228 T C 0.906 175.604 174.700 -0.004 0.000 0.914 228 T CA 0.713 62.823 62.100 0.016 0.000 0.880 228 T CB -0.323 68.549 68.868 0.007 0.000 1.246 228 T HN 0.540 nan 8.240 nan 0.000 0.523 229 T N 1.811 116.357 114.554 -0.014 0.000 2.729 229 T HA 0.613 4.971 4.350 0.012 0.000 0.298 229 T C 0.131 174.781 174.700 -0.084 0.000 1.013 229 T CA 0.145 62.221 62.100 -0.040 0.000 0.957 229 T CB 0.943 69.792 68.868 -0.031 0.000 1.130 229 T HN 1.097 nan 8.240 nan 0.000 0.526 230 S N -0.816 114.816 115.700 -0.113 0.000 2.608 230 S HA 0.455 4.933 4.470 0.012 0.000 0.285 230 S C -1.887 172.651 174.600 -0.102 0.000 1.108 230 S CA -1.086 56.990 58.200 -0.206 0.000 0.858 230 S CB 1.152 64.034 63.200 -0.529 0.000 1.077 230 S HN 0.945 nan 8.310 nan 0.000 0.450 231 Q N 0.894 120.677 119.800 -0.028 0.000 2.340 231 Q HA 0.570 4.917 4.340 0.012 0.000 0.276 231 Q C -1.138 174.906 176.000 0.074 0.000 1.048 231 Q CA -0.835 54.983 55.803 0.026 0.000 0.832 231 Q CB 2.637 31.403 28.738 0.046 0.000 1.373 231 Q HN 0.807 nan 8.270 nan 0.000 0.409 232 T N 1.771 116.358 114.554 0.054 0.000 2.899 232 T HA 0.635 4.993 4.350 0.012 0.000 0.284 232 T C -0.097 174.692 174.700 0.148 0.000 1.004 232 T CA -0.261 61.892 62.100 0.088 0.000 1.043 232 T CB 0.528 69.426 68.868 0.051 0.000 1.013 232 T HN 0.325 nan 8.240 nan 0.000 0.518 233 I N 1.188 121.870 120.570 0.186 0.000 2.722 233 I HA 0.328 4.506 4.170 0.012 0.000 0.295 233 I C -0.455 175.744 176.117 0.137 0.000 1.161 233 I CA -1.057 60.344 61.300 0.168 0.000 1.032 233 I CB 2.564 40.664 38.000 0.166 0.000 1.244 233 I HN 0.387 nan 8.210 nan 0.000 0.421 234 K N 4.523 124.958 120.400 0.058 0.000 2.248 234 K HA 0.589 4.916 4.320 0.012 0.000 0.281 234 K C -1.027 175.513 176.600 -0.100 0.000 1.054 234 K CA -0.435 55.769 56.287 -0.140 0.000 0.903 234 K CB 1.746 34.168 32.500 -0.131 0.000 1.077 234 K HN 0.228 nan 8.250 nan 0.000 0.474 235 V N 1.894 121.721 119.914 -0.144 0.000 2.769 235 V HA 0.218 4.346 4.120 0.012 0.000 0.312 235 V C -0.225 175.822 176.094 -0.078 0.000 1.061 235 V CA -0.940 61.318 62.300 -0.071 0.000 0.931 235 V CB 2.199 33.997 31.823 -0.041 0.000 1.010 235 V HN 0.734 nan 8.190 nan 0.000 0.433 236 S N 4.990 120.672 115.700 -0.031 0.000 2.523 236 S HA 0.252 4.729 4.470 0.012 0.000 0.275 236 S C -1.806 172.797 174.600 0.005 0.000 1.281 236 S CA -0.841 57.353 58.200 -0.010 0.000 1.050 236 S CB 1.374 64.580 63.200 0.011 0.000 0.937 236 S HN 0.634 nan 8.310 nan 0.000 0.492 237 P HA -0.072 nan 4.420 nan 0.000 0.223 237 P C -0.082 177.242 177.300 0.040 0.000 1.144 237 P CA 1.059 64.163 63.100 0.007 0.000 0.783 237 P CB 0.051 31.754 31.700 0.006 0.000 0.771 238 D N -2.204 118.232 120.400 0.060 0.000 2.349 238 D HA 0.023 4.670 4.640 0.012 0.000 0.214 238 D C -0.011 176.325 176.300 0.059 0.000 1.063 238 D CA 0.202 54.242 54.000 0.067 0.000 0.847 238 D CB -0.123 40.721 40.800 0.074 0.000 0.933 238 D HN 0.105 nan 8.370 nan 0.000 0.513 239 D N 0.911 121.344 120.400 0.054 0.000 2.210 239 D HA 0.111 4.759 4.640 0.012 0.000 0.249 239 D C 0.626 176.971 176.300 0.074 0.000 1.078 239 D CA -0.106 53.927 54.000 0.055 0.000 0.875 239 D CB 1.245 42.070 40.800 0.042 0.000 1.175 239 D HN 0.039 nan 8.370 nan 0.000 0.440 240 T N -0.414 114.188 114.554 0.080 0.000 2.860 240 T HA 0.167 4.525 4.350 0.012 0.000 0.299 240 T C -1.777 172.975 174.700 0.087 0.000 1.045 240 T CA -1.237 60.927 62.100 0.107 0.000 1.071 240 T CB 1.053 69.978 68.868 0.095 0.000 0.985 240 T HN 0.019 nan 8.240 nan 0.000 0.537 241 P HA -0.013 nan 4.420 nan 0.000 0.218 241 P C 1.802 179.131 177.300 0.049 0.000 1.148 241 P CA 1.334 64.449 63.100 0.026 0.000 0.822 241 P CB -0.429 31.267 31.700 -0.007 0.000 0.784 242 G N 0.143 108.981 108.800 0.064 0.000 2.418 242 G HA2 -0.248 3.719 3.960 0.012 0.000 0.217 242 G HA3 -0.248 3.719 3.960 0.012 0.000 0.217 242 G C 1.673 176.611 174.900 0.064 0.000 1.158 242 G CA 0.943 46.078 45.100 0.059 0.000 0.771 242 G HN 0.319 nan 8.290 nan 0.000 0.545 243 A N 0.974 123.831 122.820 0.063 0.000 1.908 243 A HA -0.024 4.304 4.320 0.012 0.000 0.218 243 A C 2.402 180.037 177.584 0.085 0.000 1.181 243 A CA 1.454 53.530 52.037 0.064 0.000 0.627 243 A CB -0.403 18.631 19.000 0.055 0.000 0.818 243 A HN 0.399 nan 8.150 nan 0.000 0.445 244 I N -0.445 120.174 120.570 0.082 0.000 2.286 244 I HA -0.270 3.907 4.170 0.012 0.000 0.248 244 I C 2.407 178.628 176.117 0.174 0.000 1.115 244 I CA 0.998 62.358 61.300 0.100 0.000 1.392 244 I CB -0.451 37.580 38.000 0.053 0.000 1.065 244 I HN 0.308 nan 8.210 nan 0.000 0.418 245 L N 0.204 121.530 121.223 0.172 0.000 1.970 245 L HA -0.270 4.077 4.340 0.012 0.000 0.212 245 L C 2.714 179.844 176.870 0.433 0.000 1.071 245 L CA 1.740 56.761 54.840 0.302 0.000 0.751 245 L CB -0.665 41.519 42.059 0.208 0.000 0.889 245 L HN 0.281 nan 8.230 nan 0.000 0.432 246 Q N -1.110 118.815 119.800 0.209 0.000 2.226 246 Q HA -0.190 4.158 4.340 0.012 0.000 0.204 246 Q C 2.167 178.299 176.000 0.221 0.000 0.975 246 Q CA 1.507 57.407 55.803 0.162 0.000 0.866 246 Q CB -0.149 28.622 28.738 0.055 0.000 0.915 246 Q HN 0.320 nan 8.270 nan 0.000 0.440 247 S N -0.778 115.048 115.700 0.211 0.000 2.607 247 S HA -0.017 4.460 4.470 0.012 0.000 0.224 247 S C 0.963 175.700 174.600 0.227 0.000 0.969 247 S CA 0.060 58.363 58.200 0.172 0.000 0.927 247 S CB 0.006 63.281 63.200 0.126 0.000 0.772 247 S HN 0.435 nan 8.310 nan 0.000 0.533 248 F N 0.175 120.224 119.950 0.164 0.000 2.490 248 F HA 0.335 4.869 4.527 0.012 0.000 0.280 248 F C 1.073 176.900 175.800 0.045 0.000 1.030 248 F CA 0.183 58.231 58.000 0.080 0.000 1.367 248 F CB -0.192 38.832 39.000 0.039 0.000 1.131 248 F HN 0.207 nan 8.300 nan 0.000 0.632 249 F N 1.048 121.034 119.950 0.060 0.000 2.234 249 F HA -0.010 4.524 4.527 0.012 0.000 0.299 249 F C 1.667 177.411 175.800 -0.093 0.000 1.087 249 F CA 0.990 58.964 58.000 -0.043 0.000 1.340 249 F CB -1.422 37.622 39.000 0.074 0.000 1.031 249 F HN -0.208 nan 8.300 nan 0.000 0.500 270 F N 0.496 120.494 119.950 0.080 0.000 2.577 270 F HA 0.720 5.254 4.527 0.011 0.000 0.318 270 F C 0.105 175.948 175.800 0.071 0.000 1.065 270 F CA -1.014 57.042 58.000 0.094 0.000 0.929 270 F CB 2.138 41.232 39.000 0.156 0.000 1.237 270 F HN 0.023 nan 8.300 nan 0.000 0.468 271 V N 2.992 123.050 119.914 0.240 0.000 3.102 271 V HA 0.553 4.680 4.120 0.012 0.000 0.312 271 V C -1.145 175.018 176.094 0.115 0.000 1.135 271 V CA -1.004 61.386 62.300 0.150 0.000 1.022 271 V CB 2.491 34.386 31.823 0.120 0.000 1.056 271 V HN 0.579 nan 8.190 nan 0.000 0.436 272 L N 5.296 126.550 121.223 0.051 0.000 2.302 272 L HA 0.557 4.905 4.340 0.012 0.000 0.285 272 L C 0.425 177.245 176.870 -0.083 0.000 1.090 272 L CA -0.049 54.768 54.840 -0.039 0.000 0.866 272 L CB 0.418 42.424 42.059 -0.090 0.000 1.244 272 L HN 0.542 nan 8.230 nan 0.000 0.435 273 R N 2.017 122.428 120.500 -0.149 0.000 2.457 273 R HA 0.492 4.839 4.340 0.012 0.000 0.284 273 R C -0.632 175.463 176.300 -0.342 0.000 1.024 273 R CA -0.642 55.218 56.100 -0.400 0.000 1.025 273 R CB 1.611 31.604 30.300 -0.512 0.000 1.063 273 R HN 0.290 nan 8.270 nan 0.000 0.493 274 V N 3.840 123.497 119.914 -0.429 0.000 2.614 274 V HA 0.026 4.153 4.120 0.012 0.000 0.291 274 V C 0.281 176.180 176.094 -0.325 0.000 1.049 274 V CA -0.496 61.585 62.300 -0.365 0.000 1.038 274 V CB 1.040 32.487 31.823 -0.626 0.000 0.980 274 V HN 0.861 nan 8.190 nan 0.000 0.481 275 C N 4.957 124.131 119.300 -0.210 0.000 2.651 275 C HA 0.465 4.932 4.460 0.012 0.000 0.410 275 C C 1.666 176.553 174.990 -0.172 0.000 1.372 275 C CA 0.759 59.663 59.018 -0.190 0.000 1.707 275 C CB -0.980 26.655 27.740 -0.176 0.000 2.501 275 C HN 1.323 nan 8.230 nan 0.000 0.598 276 G N 3.809 112.505 108.800 -0.174 0.000 2.253 276 G HA2 -0.209 3.759 3.960 0.012 0.000 0.251 276 G HA3 -0.209 3.759 3.960 0.012 0.000 0.251 276 G C 0.143 174.921 174.900 -0.203 0.000 0.998 276 G CA 0.171 45.181 45.100 -0.151 0.000 0.621 276 G HN 0.737 nan 8.290 nan 0.000 0.524 277 R N -0.086 120.238 120.500 -0.293 0.000 2.832 277 R HA 0.507 4.854 4.340 0.012 0.000 0.271 277 R C -1.047 175.045 176.300 -0.346 0.000 0.996 277 R CA -0.674 55.219 56.100 -0.346 0.000 0.977 277 R CB 1.043 31.027 30.300 -0.527 0.000 1.168 277 R HN 0.066 nan 8.270 nan 0.000 0.482 278 D N 1.276 121.513 120.400 -0.271 0.000 3.057 278 D HA 0.062 4.710 4.640 0.012 0.000 0.246 278 D C -0.869 175.333 176.300 -0.163 0.000 1.238 278 D CA 0.098 53.974 54.000 -0.206 0.000 0.949 278 D CB 0.114 40.871 40.800 -0.071 0.000 1.086 278 D HN 0.256 nan 8.370 nan 0.000 0.487 279 E N 0.333 120.288 120.200 -0.408 0.000 2.238 279 E HA 0.409 4.767 4.350 0.012 0.000 0.267 279 E C -1.581 174.708 176.600 -0.518 0.000 0.887 279 E CA -0.723 55.498 56.400 -0.298 0.000 0.769 279 E CB 0.885 30.379 29.700 -0.344 0.000 1.187 279 E HN 0.093 nan 8.360 nan 0.000 0.416 280 Y N 2.331 122.524 120.300 -0.178 0.000 2.425 280 Y HA 0.392 4.949 4.550 0.012 0.000 0.344 280 Y C -0.404 175.433 175.900 -0.104 0.000 0.969 280 Y CA -0.856 57.149 58.100 -0.159 0.000 1.052 280 Y CB 1.548 39.895 38.460 -0.187 0.000 1.215 280 Y HN 0.358 nan 8.280 nan 0.000 0.451 281 L N 5.159 126.336 121.223 -0.077 0.000 2.449 281 L HA 0.487 4.834 4.340 0.012 0.000 0.255 281 L C -1.024 175.747 176.870 -0.166 0.000 1.167 281 L CA -0.435 54.162 54.840 -0.404 0.000 1.090 281 L CB -0.537 41.190 42.059 -0.552 0.000 1.385 281 L HN 0.342 nan 8.230 nan 0.000 0.411 282 V N 0.103 120.101 119.914 0.140 0.000 2.962 282 V HA 0.969 5.097 4.120 0.012 0.000 0.313 282 V C 0.343 176.622 176.094 0.309 0.000 1.099 282 V CA -0.728 61.679 62.300 0.178 0.000 0.971 282 V CB 1.781 33.661 31.823 0.095 0.000 1.028 282 V HN 0.754 nan 8.190 nan 0.000 0.430 283 G N 1.688 110.612 108.800 0.205 0.000 2.515 283 G HA2 0.005 3.972 3.960 0.012 0.000 0.686 283 G HA3 0.005 3.972 3.960 0.012 0.000 0.686 283 G C -0.773 174.222 174.900 0.159 0.000 1.274 283 G CA -0.858 44.339 45.100 0.162 0.000 0.874 283 G HN 0.653 nan 8.290 nan 0.000 0.631 284 E N 1.383 121.637 120.200 0.090 0.000 1.999 284 E HA 0.342 4.700 4.350 0.012 0.000 0.296 284 E C 0.649 177.280 176.600 0.052 0.000 1.187 284 E CA 0.767 57.211 56.400 0.072 0.000 1.229 284 E CB -0.211 29.516 29.700 0.045 0.000 1.131 284 E HN 0.918 nan 8.360 nan 0.000 0.478 285 T N -1.570 113.033 114.554 0.081 0.000 2.933 285 T HA 0.464 4.821 4.350 0.012 0.000 0.305 285 T C -2.908 171.860 174.700 0.114 0.000 1.092 285 T CA -2.547 59.555 62.100 0.004 0.000 1.008 285 T CB 2.127 70.862 68.868 -0.223 0.000 1.102 285 T HN -0.174 nan 8.240 nan 0.000 0.469 286 P HA 0.154 nan 4.420 nan 0.000 0.265 286 P C 0.895 178.330 177.300 0.225 0.000 1.187 286 P CA -0.456 62.711 63.100 0.112 0.000 0.766 286 P CB 0.383 32.114 31.700 0.052 0.000 0.820 287 I N 3.716 124.425 120.570 0.233 0.000 2.423 287 I HA -0.251 3.927 4.170 0.012 0.000 0.254 287 I C 1.878 178.136 176.117 0.234 0.000 1.151 287 I CA 1.665 63.133 61.300 0.280 0.000 1.421 287 I CB -0.520 37.526 38.000 0.078 0.000 1.079 287 I HN 0.346 nan 8.210 nan 0.000 0.431 288 K N -0.799 119.649 120.400 0.080 0.000 2.432 288 K HA -0.012 4.315 4.320 0.012 0.000 0.196 288 K C 0.910 177.481 176.600 -0.048 0.000 1.038 288 K CA 1.095 57.355 56.287 -0.044 0.000 0.986 288 K CB -0.289 32.119 32.500 -0.154 0.000 0.782 288 K HN 0.204 nan 8.250 nan 0.000 0.485 289 N N 0.421 119.109 118.700 -0.019 0.000 2.295 289 N HA 0.132 4.879 4.740 0.012 0.000 0.221 289 N C -1.265 174.081 175.510 -0.273 0.000 1.129 289 N CA 0.011 52.971 53.050 -0.149 0.000 0.836 289 N CB 0.139 38.515 38.487 -0.185 0.000 1.040 289 N HN 0.092 nan 8.380 nan 0.000 0.494 290 F N 0.937 120.844 119.950 -0.073 0.000 2.415 290 F HA 0.276 4.811 4.527 0.012 0.000 0.348 290 F C 1.755 177.464 175.800 -0.152 0.000 1.119 290 F CA -0.746 57.214 58.000 -0.067 0.000 1.069 290 F CB 1.551 40.558 39.000 0.012 0.000 1.124 290 F HN -0.185 nan 8.300 nan 0.000 0.472 291 Q N 3.151 122.836 119.800 -0.191 0.000 2.135 291 Q HA -0.273 4.074 4.340 0.012 0.000 0.204 291 Q C 2.178 178.074 176.000 -0.173 0.000 0.981 291 Q CA 1.574 57.103 55.803 -0.457 0.000 0.856 291 Q CB -0.382 27.507 28.738 -1.415 0.000 0.902 291 Q HN 0.881 nan 8.270 nan 0.000 0.425 292 W N 0.876 122.075 121.300 -0.168 0.000 2.363 292 W HA -0.161 4.507 4.660 0.013 0.000 0.296 292 W C 1.696 178.232 176.519 0.029 0.000 1.212 292 W CA 1.127 58.452 57.345 -0.033 0.000 1.260 292 W CB 0.215 29.682 29.460 0.011 0.000 1.131 292 W HN -0.058 nan 8.180 nan 0.000 0.530 293 V N 1.593 121.524 119.914 0.028 0.000 2.295 293 V HA -0.293 3.834 4.120 0.012 0.000 0.246 293 V C 2.480 178.475 176.094 -0.165 0.000 1.049 293 V CA 2.081 64.326 62.300 -0.092 0.000 1.024 293 V CB -0.869 30.958 31.823 0.007 0.000 0.648 293 V HN 0.130 nan 8.190 nan 0.000 0.447 294 R N -0.857 119.566 120.500 -0.129 0.000 2.152 294 R HA -0.162 4.185 4.340 0.012 0.000 0.232 294 R C 2.333 178.547 176.300 -0.143 0.000 1.117 294 R CA 1.404 57.416 56.100 -0.148 0.000 0.981 294 R CB -0.589 29.628 30.300 -0.139 0.000 0.870 294 R HN 0.693 nan 8.270 nan 0.000 0.451 295 H N 0.327 119.229 119.070 -0.280 0.000 2.357 295 H HA -0.107 4.456 4.556 0.012 0.000 0.301 295 H C 1.783 176.893 175.328 -0.364 0.000 1.082 295 H CA 1.674 57.536 56.048 -0.311 0.000 1.342 295 H CB 0.122 29.650 29.762 -0.390 0.000 1.389 295 H HN 0.197 nan 8.280 nan 0.000 0.511 296 C N 0.999 119.948 119.300 -0.585 0.000 2.436 296 C HA -0.102 4.365 4.460 0.012 0.000 0.277 296 C C 3.175 177.954 174.990 -0.352 0.000 1.241 296 C CA 0.675 59.354 59.018 -0.565 0.000 1.721 296 C CB -1.114 26.342 27.740 -0.472 0.000 2.043 296 C HN 0.500 nan 8.230 nan 0.000 0.472 297 L N 1.027 122.096 121.223 -0.258 0.000 2.043 297 L HA -0.227 4.121 4.340 0.012 0.000 0.212 297 L C 2.708 179.486 176.870 -0.154 0.000 1.075 297 L CA 1.816 56.551 54.840 -0.174 0.000 0.752 297 L CB -0.790 41.172 42.059 -0.162 0.000 0.891 297 L HN 0.432 nan 8.230 nan 0.000 0.432 298 K N 0.458 120.756 120.400 -0.169 0.000 2.026 298 K HA -0.173 4.155 4.320 0.012 0.000 0.208 298 K C 1.439 177.944 176.600 -0.158 0.000 1.048 298 K CA 1.782 57.996 56.287 -0.121 0.000 0.929 298 K CB -0.002 32.442 32.500 -0.092 0.000 0.713 298 K HN 0.258 nan 8.250 nan 0.000 0.439 299 N N -0.151 118.397 118.700 -0.254 0.000 2.449 299 N HA 0.051 4.798 4.740 0.012 0.000 0.191 299 N C 0.449 175.858 175.510 -0.167 0.000 1.161 299 N CA 0.908 53.822 53.050 -0.227 0.000 0.863 299 N CB 0.610 38.893 38.487 -0.340 0.000 0.980 299 N HN 0.478 nan 8.380 nan 0.000 0.458 300 G N 0.610 109.321 108.800 -0.150 0.000 2.187 300 G HA2 -0.352 3.615 3.960 0.012 0.000 0.261 300 G HA3 -0.352 3.615 3.960 0.012 0.000 0.261 300 G C 0.065 174.908 174.900 -0.094 0.000 1.000 300 G CA 0.521 45.563 45.100 -0.098 0.000 0.718 300 G HN 0.500 nan 8.290 nan 0.000 0.519 301 E N 0.655 120.765 120.200 -0.149 0.000 2.371 301 E HA 0.431 4.788 4.350 0.012 0.000 0.257 301 E C 0.716 177.271 176.600 -0.074 0.000 1.134 301 E CA -0.332 56.000 56.400 -0.113 0.000 0.919 301 E CB 0.291 29.879 29.700 -0.188 0.000 1.025 301 E HN 0.597 nan 8.360 nan 0.000 0.438 302 E N 3.113 123.325 120.200 0.019 0.000 2.197 302 E HA 0.277 4.634 4.350 0.012 0.000 0.281 302 E C -0.379 176.260 176.600 0.066 0.000 0.995 302 E CA -0.565 55.858 56.400 0.039 0.000 0.808 302 E CB 0.981 30.738 29.700 0.095 0.000 1.093 302 E HN 0.384 nan 8.360 nan 0.000 0.394 303 I N 4.212 124.759 120.570 -0.039 0.000 2.406 303 I HA 0.054 4.231 4.170 0.012 0.000 0.293 303 I C 0.190 176.269 176.117 -0.063 0.000 1.101 303 I CA 0.012 61.313 61.300 0.002 0.000 1.334 303 I CB -0.246 37.742 38.000 -0.019 0.000 1.421 303 I HN 0.391 nan 8.210 nan 0.000 0.513 304 H N 6.110 125.256 119.070 0.128 0.000 2.481 304 H HA 0.549 5.113 4.556 0.013 0.000 0.333 304 H C -0.521 174.781 175.328 -0.043 0.000 1.066 304 H CA -0.552 55.531 56.048 0.059 0.000 1.209 304 H CB 2.296 32.074 29.762 0.027 0.000 1.445 304 H HN 0.442 nan 8.280 nan 0.000 0.488 305 V N 1.238 121.133 119.914 -0.032 0.000 2.876 305 V HA 0.552 4.679 4.120 0.012 0.000 0.312 305 V C -0.550 175.430 176.094 -0.190 0.000 1.085 305 V CA -0.889 61.340 62.300 -0.119 0.000 0.945 305 V CB 1.870 33.637 31.823 -0.093 0.000 1.017 305 V HN 0.419 nan 8.190 nan 0.000 0.428 306 V N 4.865 124.660 119.914 -0.198 0.000 2.547 306 V HA 0.623 4.751 4.120 0.012 0.000 0.299 306 V C -0.319 175.715 176.094 -0.100 0.000 1.040 306 V CA -0.768 61.445 62.300 -0.144 0.000 0.913 306 V CB 1.624 33.362 31.823 -0.141 0.000 0.992 306 V HN 1.042 nan 8.190 nan 0.000 0.449 307 L N 7.480 128.654 121.223 -0.083 0.000 2.259 307 L HA 0.566 4.913 4.340 0.012 0.000 0.288 307 L C -0.576 176.328 176.870 0.056 0.000 1.051 307 L CA 0.058 54.861 54.840 -0.062 0.000 0.824 307 L CB 0.328 42.261 42.059 -0.210 0.000 1.206 307 L HN 0.915 nan 8.230 nan 0.000 0.429 308 D N 1.744 122.245 120.400 0.168 0.000 2.781 308 D HA 0.342 4.989 4.640 0.012 0.000 0.295 308 D C -0.685 175.794 176.300 0.298 0.000 1.143 308 D CA -0.451 53.706 54.000 0.262 0.000 1.076 308 D CB 1.140 42.015 40.800 0.125 0.000 1.444 308 D HN 0.340 nan 8.370 nan 0.000 0.567 309 T N -2.211 112.441 114.554 0.164 0.000 2.856 309 T HA 0.550 4.907 4.350 0.012 0.000 0.292 309 T C -2.441 172.270 174.700 0.018 0.000 0.980 309 T CA -1.337 60.759 62.100 -0.006 0.000 1.091 309 T CB 0.632 69.442 68.868 -0.096 0.000 0.936 309 T HN 0.115 nan 8.240 nan 0.000 0.503 310 P HA 0.233 nan 4.420 nan 0.000 0.266 310 P C -2.309 174.935 177.300 -0.093 0.000 1.195 310 P CA -0.876 62.178 63.100 -0.076 0.000 0.768 310 P CB -0.650 30.986 31.700 -0.107 0.000 0.838 311 P HA 0.032 nan 4.420 nan 0.000 0.269 311 P C -0.459 176.781 177.300 -0.100 0.000 1.209 311 P CA 0.186 63.221 63.100 -0.108 0.000 0.776 311 P CB 0.269 31.871 31.700 -0.163 0.000 0.876 312 D N 3.174 123.534 120.400 -0.068 0.000 2.339 312 D HA 0.080 4.727 4.640 0.012 0.000 0.256 312 D C -1.543 174.728 176.300 -0.048 0.000 1.214 312 D CA -1.970 51.996 54.000 -0.057 0.000 0.877 312 D CB 0.384 41.157 40.800 -0.046 0.000 1.111 312 D HN 0.125 nan 8.370 nan 0.000 0.478 313 P HA -0.081 nan 4.420 nan 0.000 0.226 313 P C 0.703 177.999 177.300 -0.006 0.000 1.146 313 P CA 0.734 63.826 63.100 -0.015 0.000 0.773 313 P CB 0.222 31.914 31.700 -0.013 0.000 0.772 314 A N -0.586 122.221 122.820 -0.021 0.000 2.014 314 A HA -0.095 4.232 4.320 0.012 0.000 0.218 314 A C 1.994 179.566 177.584 -0.020 0.000 1.163 314 A CA 0.931 52.955 52.037 -0.022 0.000 0.652 314 A CB -1.418 17.564 19.000 -0.029 0.000 0.808 314 A HN 0.158 nan 8.150 nan 0.000 0.449 315 L N -0.285 120.924 121.223 -0.023 0.000 2.353 315 L HA -0.143 4.205 4.340 0.012 0.000 0.220 315 L C 0.955 177.821 176.870 -0.007 0.000 1.133 315 L CA 0.863 55.687 54.840 -0.026 0.000 0.798 315 L CB -0.308 41.729 42.059 -0.036 0.000 0.922 315 L HN 0.292 nan 8.230 nan 0.000 0.445 316 D N -0.560 119.852 120.400 0.021 0.000 2.339 316 D HA -0.027 4.620 4.640 0.012 0.000 0.217 316 D C 0.730 177.055 176.300 0.041 0.000 1.050 316 D CA 0.095 54.138 54.000 0.072 0.000 0.856 316 D CB 0.095 41.009 40.800 0.190 0.000 0.922 316 D HN 0.350 nan 8.370 nan 0.000 0.518 317 E N 0.960 121.163 120.200 0.005 0.000 2.568 317 E HA -0.010 4.347 4.350 0.012 0.000 0.262 317 E C -0.615 175.971 176.600 -0.023 0.000 0.961 317 E CA 0.219 56.608 56.400 -0.018 0.000 0.945 317 E CB 0.723 30.405 29.700 -0.030 0.000 0.924 317 E HN -0.208 nan 8.360 nan 0.000 0.467 318 V N 5.236 125.127 119.914 -0.039 0.000 2.483 318 V HA 0.258 4.385 4.120 0.012 0.000 0.295 318 V C 0.432 176.482 176.094 -0.072 0.000 1.035 318 V CA -0.664 61.609 62.300 -0.044 0.000 0.896 318 V CB 1.509 33.302 31.823 -0.051 0.000 0.986 318 V HN 0.696 nan 8.190 nan 0.000 0.447 319 R N 3.454 123.892 120.500 -0.103 0.000 2.480 319 R HA 0.084 4.431 4.340 0.012 0.000 0.303 319 R C 0.417 176.628 176.300 -0.149 0.000 0.985 319 R CA 0.098 56.084 56.100 -0.189 0.000 1.051 319 R CB 0.266 30.316 30.300 -0.416 0.000 0.935 319 R HN 0.776 nan 8.270 nan 0.000 0.410 354 L N 4.099 125.280 121.223 -0.069 0.000 2.141 354 L HA 0.252 4.599 4.340 0.012 0.000 0.209 354 L C 1.125 178.136 176.870 0.234 0.000 1.094 354 L CA 1.785 56.649 54.840 0.041 0.000 0.763 354 L CB -0.181 41.876 42.059 -0.004 0.000 0.908 354 L HN 0.833 nan 8.230 nan 0.000 0.437 355 W N -0.223 121.101 121.300 0.040 0.000 3.434 355 W HA 0.159 4.826 4.660 0.012 0.000 0.297 355 W C 0.796 177.331 176.519 0.026 0.000 1.295 355 W CA -0.257 57.106 57.345 0.031 0.000 1.731 355 W CB -0.619 28.860 29.460 0.032 0.000 1.070 355 W HN 0.262 nan 8.180 nan 0.000 0.726 356 D N -1.450 119.078 120.400 0.212 0.000 2.469 356 D HA 0.099 4.746 4.640 0.012 0.000 0.215 356 D C -0.227 176.134 176.300 0.101 0.000 1.154 356 D CA 0.213 54.292 54.000 0.132 0.000 0.832 356 D CB 0.149 41.005 40.800 0.094 0.000 1.008 356 D HN -0.188 nan 8.370 nan 0.000 0.506 357 C N 1.056 120.426 119.300 0.116 0.000 2.239 357 C HA 0.248 4.716 4.460 0.012 0.000 0.325 357 C C 1.409 176.453 174.990 0.089 0.000 1.231 357 C CA -0.806 58.267 59.018 0.093 0.000 1.652 357 C CB 0.568 28.368 27.740 0.099 0.000 2.284 357 C HN 0.196 nan 8.230 nan 0.000 0.499 358 D N 1.138 121.576 120.400 0.064 0.000 2.349 358 D HA 0.057 4.704 4.640 0.012 0.000 0.214 358 D C 0.891 177.220 176.300 0.048 0.000 1.063 358 D CA 0.096 54.127 54.000 0.051 0.000 0.847 358 D CB 0.281 41.102 40.800 0.034 0.000 0.933 358 D HN 0.553 nan 8.370 nan 0.000 0.513 359 R N 0.961 121.493 120.500 0.052 0.000 2.643 359 R HA 0.147 4.494 4.340 0.012 0.000 0.270 359 R C 0.136 176.482 176.300 0.077 0.000 1.061 359 R CA -0.170 55.956 56.100 0.044 0.000 1.107 359 R CB 0.562 30.880 30.300 0.030 0.000 0.999 359 R HN -0.050 nan 8.270 nan 0.000 0.460 360 K N 3.230 123.671 120.400 0.068 0.000 2.383 360 K HA 0.016 4.343 4.320 0.012 0.000 0.286 360 K C 0.028 176.727 176.600 0.165 0.000 1.051 360 K CA -0.060 56.300 56.287 0.121 0.000 0.974 360 K CB 0.168 32.725 32.500 0.095 0.000 0.968 360 K HN 0.400 nan 8.250 nan 0.000 0.475 361 F N 4.375 124.386 119.950 0.101 0.000 2.629 361 F HA -0.067 4.467 4.527 0.012 0.000 0.369 361 F C 0.619 176.578 175.800 0.266 0.000 1.125 361 F CA 0.365 58.437 58.000 0.120 0.000 1.330 361 F CB 0.555 39.572 39.000 0.029 0.000 1.071 361 F HN 0.570 nan 8.300 nan 0.000 0.595 362 R N 4.722 124.745 120.500 -0.795 0.000 2.643 362 R HA 0.764 5.111 4.340 0.012 0.000 0.269 362 R C -2.412 173.659 176.300 -0.382 0.000 1.037 362 R CA -1.195 54.700 56.100 -0.341 0.000 0.894 362 R CB 1.634 31.899 30.300 -0.058 0.000 1.238 362 R HN 0.626 nan 8.270 nan 0.000 0.459 363 V N 1.764 121.700 119.914 0.036 0.000 2.709 363 V HA 0.487 4.614 4.120 0.012 0.000 0.308 363 V C -1.047 175.024 176.094 -0.039 0.000 1.062 363 V CA -0.879 61.464 62.300 0.071 0.000 0.901 363 V CB 2.008 33.909 31.823 0.131 0.000 1.003 363 V HN 0.870 nan 8.190 nan 0.000 0.425 364 K N 6.939 127.060 120.400 -0.464 0.000 2.227 364 K HA 0.471 4.798 4.320 0.012 0.000 0.280 364 K C -0.818 175.550 176.600 -0.387 0.000 1.041 364 K CA -0.657 55.124 56.287 -0.842 0.000 0.905 364 K CB 0.935 32.464 32.500 -1.619 0.000 1.068 364 K HN 0.635 nan 8.250 nan 0.000 0.470 365 I N 6.799 127.207 120.570 -0.272 0.000 2.282 365 I HA 0.131 4.308 4.170 0.012 0.000 0.290 365 I C 1.346 177.432 176.117 -0.053 0.000 1.090 365 I CA -0.166 61.054 61.300 -0.134 0.000 1.231 365 I CB 0.480 38.391 38.000 -0.148 0.000 1.434 365 I HN 0.771 nan 8.210 nan 0.000 0.487 366 R N 3.848 124.312 120.500 -0.060 0.000 2.070 366 R HA 0.105 4.452 4.340 0.012 0.000 0.233 366 R C 0.995 177.347 176.300 0.087 0.000 1.137 366 R CA 0.940 57.027 56.100 -0.022 0.000 0.945 366 R CB 0.034 30.303 30.300 -0.052 0.000 0.845 366 R HN 0.761 nan 8.270 nan 0.000 0.430 367 G N 0.274 109.149 108.800 0.125 0.000 2.320 367 G HA2 0.313 4.280 3.960 0.012 0.000 0.297 367 G HA3 0.313 4.280 3.960 0.012 0.000 0.297 367 G C -1.593 173.387 174.900 0.133 0.000 1.344 367 G CA -0.710 44.524 45.100 0.224 0.000 0.851 367 G HN 0.220 nan 8.290 nan 0.000 0.567 368 I N -2.036 118.615 120.570 0.135 0.000 2.569 368 I HA 0.828 5.005 4.170 0.012 0.000 0.296 368 I C -1.651 174.418 176.117 -0.080 0.000 1.028 368 I CA -0.975 60.338 61.300 0.022 0.000 1.082 368 I CB 2.590 40.640 38.000 0.083 0.000 1.264 368 I HN 0.236 nan 8.210 nan 0.000 0.429 369 D N 6.513 126.831 120.400 -0.137 0.000 2.780 369 D HA 0.610 5.257 4.640 0.012 0.000 0.242 369 D C -1.046 175.146 176.300 -0.179 0.000 1.135 369 D CA -0.103 53.803 54.000 -0.156 0.000 0.859 369 D CB 3.307 44.028 40.800 -0.133 0.000 1.530 369 D HN 0.717 nan 8.370 nan 0.000 0.493 370 I N 1.904 122.369 120.570 -0.175 0.000 2.548 370 I HA 0.229 4.406 4.170 0.012 0.000 0.287 370 I C -2.067 173.987 176.117 -0.105 0.000 1.103 370 I CA -2.431 58.780 61.300 -0.147 0.000 1.049 370 I CB 2.813 40.712 38.000 -0.169 0.000 1.232 370 I HN 0.001 nan 8.210 nan 0.000 0.429 371 P HA -0.104 nan 4.420 nan 0.000 0.215 371 P C -0.407 176.871 177.300 -0.038 0.000 1.157 371 P CA 1.135 64.208 63.100 -0.045 0.000 0.874 371 P CB 0.109 31.795 31.700 -0.023 0.000 0.790 372 V N -0.525 119.379 119.914 -0.017 0.000 2.686 372 V HA 0.286 4.413 4.120 0.012 0.000 0.306 372 V C -0.407 175.715 176.094 0.046 0.000 1.065 372 V CA -1.004 61.300 62.300 0.007 0.000 0.894 372 V CB 1.850 33.686 31.823 0.022 0.000 1.004 372 V HN -0.158 nan 8.190 nan 0.000 0.424 373 L N 3.681 124.942 121.223 0.064 0.000 2.334 373 L HA 0.914 5.262 4.340 0.012 0.000 0.272 373 L C -2.422 174.578 176.870 0.217 0.000 1.020 373 L CA -1.857 53.099 54.840 0.193 0.000 0.812 373 L CB -0.399 41.770 42.059 0.183 0.000 1.264 373 L HN 0.337 nan 8.230 nan 0.000 0.439 374 P HA 0.084 nan 4.420 nan 0.000 0.267 374 P C -0.285 177.099 177.300 0.140 0.000 1.195 374 P CA -0.172 63.023 63.100 0.158 0.000 0.773 374 P CB 0.321 32.091 31.700 0.117 0.000 0.837 375 R N 0.257 120.811 120.500 0.089 0.000 2.386 375 R HA 0.041 4.388 4.340 0.012 0.000 0.216 375 R C 0.163 176.502 176.300 0.065 0.000 1.119 375 R CA 0.248 56.392 56.100 0.073 0.000 1.158 375 R CB -1.451 28.880 30.300 0.052 0.000 1.057 375 R HN 0.150 nan 8.270 nan 0.000 0.489 376 N N 0.831 119.571 118.700 0.067 0.000 2.868 376 N HA 0.061 4.809 4.740 0.012 0.000 0.252 376 N C -1.139 174.409 175.510 0.062 0.000 1.130 376 N CA -0.064 53.010 53.050 0.040 0.000 1.026 376 N CB 0.470 38.954 38.487 -0.005 0.000 1.335 376 N HN 0.116 nan 8.380 nan 0.000 0.516 377 T N 1.968 116.562 114.554 0.067 0.000 2.743 377 T HA 0.218 4.575 4.350 0.012 0.000 0.293 377 T C -0.824 173.910 174.700 0.057 0.000 0.945 377 T CA -0.219 61.928 62.100 0.078 0.000 1.030 377 T CB 0.589 69.498 68.868 0.068 0.000 0.912 377 T HN 0.353 nan 8.240 nan 0.000 0.483 378 D N 3.258 123.696 120.400 0.063 0.000 2.763 378 D HA 0.396 5.043 4.640 0.012 0.000 0.235 378 D C -0.546 175.807 176.300 0.089 0.000 1.334 378 D CA -0.475 53.583 54.000 0.097 0.000 0.950 378 D CB 0.916 41.777 40.800 0.102 0.000 1.433 378 D HN 0.296 nan 8.370 nan 0.000 0.580 379 L N 1.152 122.422 121.223 0.079 0.000 2.472 379 L HA 0.621 4.969 4.340 0.012 0.000 0.256 379 L C 0.805 177.752 176.870 0.129 0.000 1.111 379 L CA -0.765 54.106 54.840 0.051 0.000 0.800 379 L CB 1.510 43.536 42.059 -0.055 0.000 1.286 379 L HN 0.320 nan 8.230 nan 0.000 0.479 380 T N 0.346 114.978 114.554 0.130 0.000 2.885 380 T HA 0.652 5.009 4.350 0.012 0.000 0.285 380 T C -1.052 173.790 174.700 0.236 0.000 1.019 380 T CA -0.547 61.678 62.100 0.208 0.000 1.010 380 T CB 1.377 70.366 68.868 0.201 0.000 1.022 380 T HN 0.433 nan 8.240 nan 0.000 0.466 381 V N 2.531 122.648 119.914 0.337 0.000 2.925 381 V HA 0.980 5.107 4.120 0.012 0.000 0.311 381 V C -1.131 175.253 176.094 0.484 0.000 1.104 381 V CA -1.274 61.217 62.300 0.319 0.000 0.954 381 V CB 1.296 33.353 31.823 0.389 0.000 1.022 381 V HN 0.920 nan 8.190 nan 0.000 0.427 382 F N 1.297 121.428 119.950 0.301 0.000 2.599 382 F HA 0.943 5.478 4.527 0.012 0.000 0.311 382 F C -0.957 174.862 175.800 0.031 0.000 1.076 382 F CA -1.395 56.700 58.000 0.159 0.000 0.937 382 F CB 1.696 40.751 39.000 0.092 0.000 1.282 382 F HN 0.404 nan 8.300 nan 0.000 0.460 383 V N 1.504 121.358 119.914 -0.101 0.000 2.439 383 V HA 0.331 4.458 4.120 0.012 0.000 0.282 383 V C -0.429 175.728 176.094 0.105 0.000 1.039 383 V CA -0.536 61.702 62.300 -0.104 0.000 0.913 383 V CB 1.244 32.865 31.823 -0.337 0.000 0.983 383 V HN 0.880 nan 8.190 nan 0.000 0.460 384 E N 3.455 123.783 120.200 0.214 0.000 2.145 384 E HA 0.672 5.029 4.350 0.012 0.000 0.270 384 E C -0.659 176.056 176.600 0.192 0.000 0.906 384 E CA -0.670 55.889 56.400 0.264 0.000 0.761 384 E CB 1.517 31.489 29.700 0.453 0.000 1.116 384 E HN 0.822 nan 8.360 nan 0.000 0.408 385 A N 5.319 128.241 122.820 0.169 0.000 2.271 385 A HA 0.446 4.774 4.320 0.012 0.000 0.317 385 A C -0.747 177.053 177.584 0.360 0.000 1.245 385 A CA -0.817 51.374 52.037 0.256 0.000 0.857 385 A CB 0.615 19.809 19.000 0.323 0.000 1.175 385 A HN 0.704 nan 8.150 nan 0.000 0.512 386 N N 1.978 120.840 118.700 0.269 0.000 2.370 386 N HA 0.447 5.194 4.740 0.012 0.000 0.303 386 N C -1.085 174.478 175.510 0.087 0.000 1.103 386 N CA -0.367 52.815 53.050 0.219 0.000 0.848 386 N CB 2.077 40.642 38.487 0.131 0.000 1.235 386 N HN 0.540 nan 8.380 nan 0.000 0.496 387 I N 2.146 122.715 120.570 -0.001 0.000 2.307 387 I HA 0.150 4.327 4.170 0.012 0.000 0.287 387 I C 0.349 176.421 176.117 -0.074 0.000 1.054 387 I CA -0.267 60.931 61.300 -0.170 0.000 1.218 387 I CB 0.531 38.312 38.000 -0.366 0.000 1.398 387 I HN 0.228 nan 8.210 nan 0.000 0.475 388 Q N 4.615 124.379 119.800 -0.060 0.000 2.193 388 Q HA 0.426 4.774 4.340 0.012 0.000 0.246 388 Q C -0.440 175.564 176.000 0.008 0.000 0.959 388 Q CA -0.616 55.171 55.803 -0.025 0.000 0.904 388 Q CB 2.339 31.053 28.738 -0.039 0.000 1.238 388 Q HN 0.474 nan 8.270 nan 0.000 0.469 389 H N -0.586 118.419 119.070 -0.109 0.000 3.139 389 H HA 0.193 4.757 4.556 0.012 0.000 0.322 389 H C -0.434 174.780 175.328 -0.190 0.000 1.345 389 H CA 0.705 56.659 56.048 -0.156 0.000 1.637 389 H CB 0.513 30.189 29.762 -0.142 0.000 1.959 389 H HN 0.933 nan 8.280 nan 0.000 0.586 390 G N 4.608 113.197 108.800 -0.352 0.000 2.289 390 G HA2 -0.274 3.693 3.960 0.012 0.000 0.280 390 G HA3 -0.274 3.693 3.960 0.012 0.000 0.280 390 G C 0.486 175.279 174.900 -0.178 0.000 1.089 390 G CA 0.552 45.471 45.100 -0.300 0.000 0.939 390 G HN 0.783 nan 8.290 nan 0.000 0.499 391 Q N -2.338 117.388 119.800 -0.123 0.000 2.439 391 Q HA -0.289 4.058 4.340 0.012 0.000 0.247 391 Q C 0.674 176.643 176.000 -0.052 0.000 0.899 391 Q CA 1.991 57.746 55.803 -0.080 0.000 1.201 391 Q CB -0.793 27.904 28.738 -0.068 0.000 1.608 391 Q HN 1.005 nan 8.270 nan 0.000 0.563 392 Q N 1.209 120.989 119.800 -0.033 0.000 2.400 392 Q HA 0.415 4.762 4.340 0.012 0.000 0.255 392 Q C -0.156 175.857 176.000 0.022 0.000 1.008 392 Q CA -0.413 55.395 55.803 0.008 0.000 0.841 392 Q CB 1.201 29.968 28.738 0.048 0.000 1.220 392 Q HN 0.193 nan 8.270 nan 0.000 0.474 393 V N 3.522 123.445 119.914 0.015 0.000 2.479 393 V HA 0.098 4.225 4.120 0.012 0.000 0.281 393 V C 0.813 176.926 176.094 0.033 0.000 1.031 393 V CA 0.068 62.383 62.300 0.026 0.000 1.038 393 V CB 0.295 32.137 31.823 0.033 0.000 0.981 393 V HN 0.925 nan 8.190 nan 0.000 0.478 394 L N 3.206 124.447 121.223 0.030 0.000 2.202 394 L HA 0.287 4.635 4.340 0.012 0.000 0.205 394 L C 1.094 178.000 176.870 0.059 0.000 1.083 394 L CA 0.930 55.784 54.840 0.024 0.000 0.790 394 L CB 0.275 42.329 42.059 -0.008 0.000 0.942 394 L HN 0.826 nan 8.230 nan 0.000 0.452 395 C N -0.807 118.558 119.300 0.108 0.000 3.239 395 C HA 0.516 4.983 4.460 0.012 0.000 0.317 395 C C -1.501 173.668 174.990 0.299 0.000 1.310 395 C CA -0.474 58.677 59.018 0.220 0.000 1.371 395 C CB 2.003 29.963 27.740 0.368 0.000 1.714 395 C HN 0.424 nan 8.230 nan 0.000 0.473 396 Q N 3.423 123.373 119.800 0.250 0.000 2.263 396 Q HA 0.600 4.947 4.340 0.012 0.000 0.262 396 Q C -1.512 174.507 176.000 0.032 0.000 0.984 396 Q CA -0.504 55.413 55.803 0.189 0.000 0.813 396 Q CB 1.288 30.090 28.738 0.107 0.000 1.299 396 Q HN 0.758 nan 8.270 nan 0.000 0.428 397 R N 2.879 123.342 120.500 -0.063 0.000 2.575 397 R HA 0.581 4.928 4.340 0.012 0.000 0.293 397 R C -0.798 175.426 176.300 -0.126 0.000 0.983 397 R CA -0.581 55.386 56.100 -0.220 0.000 0.887 397 R CB 2.051 32.012 30.300 -0.565 0.000 1.184 397 R HN 0.705 nan 8.270 nan 0.000 0.445 398 R N -0.100 120.328 120.500 -0.120 0.000 2.875 398 R HA 0.541 4.888 4.340 0.012 0.000 0.251 398 R C 0.413 176.623 176.300 -0.149 0.000 1.123 398 R CA -0.721 55.328 56.100 -0.085 0.000 1.064 398 R CB 1.369 31.592 30.300 -0.129 0.000 1.205 398 R HN 0.706 nan 8.270 nan 0.000 0.503 399 T N -2.298 112.156 114.554 -0.167 0.000 2.889 399 T HA 0.357 4.715 4.350 0.012 0.000 0.278 399 T C 0.255 174.893 174.700 -0.103 0.000 0.995 399 T CA -0.918 61.024 62.100 -0.264 0.000 0.966 399 T CB 1.256 69.660 68.868 -0.773 0.000 1.237 399 T HN 0.572 nan 8.240 nan 0.000 0.591 400 S N 0.525 116.260 115.700 0.058 0.000 2.565 400 S HA 0.477 4.954 4.470 0.012 0.000 0.274 400 S C -2.845 171.999 174.600 0.406 0.000 1.309 400 S CA -1.258 57.057 58.200 0.192 0.000 1.043 400 S CB 0.024 63.358 63.200 0.225 0.000 0.939 400 S HN 0.575 nan 8.310 nan 0.000 0.504 401 P HA 0.390 nan 4.420 nan 0.000 0.267 401 P C -0.697 176.808 177.300 0.342 0.000 1.209 401 P CA -0.148 63.184 63.100 0.387 0.000 0.763 401 P CB 0.352 32.200 31.700 0.246 0.000 0.816 402 K N 4.811 125.442 120.400 0.386 0.000 2.328 402 K HA 0.583 4.910 4.320 0.012 0.000 0.246 402 K C -2.629 174.055 176.600 0.140 0.000 0.955 402 K CA -2.568 53.808 56.287 0.150 0.000 0.817 402 K CB 0.703 33.123 32.500 -0.133 0.000 1.208 402 K HN 0.133 nan 8.250 nan 0.000 0.432 403 P HA -0.053 nan 4.420 nan 0.000 0.265 403 P C -0.921 176.447 177.300 0.113 0.000 1.193 403 P CA 0.052 63.206 63.100 0.089 0.000 0.765 403 P CB 0.184 31.900 31.700 0.026 0.000 0.823 404 F N 4.832 124.800 119.950 0.030 0.000 2.466 404 F HA 0.260 4.794 4.527 0.012 0.000 0.363 404 F C 0.525 176.327 175.800 0.002 0.000 1.109 404 F CA 0.608 58.626 58.000 0.031 0.000 1.161 404 F CB -0.262 38.772 39.000 0.058 0.000 1.117 404 F HN 0.279 nan 8.300 nan 0.000 0.539 405 T N 1.880 116.134 114.554 -0.499 0.000 2.804 405 T HA 0.282 4.639 4.350 0.012 0.000 0.290 405 T C 0.517 174.896 174.700 -0.536 0.000 1.099 405 T CA -0.657 61.187 62.100 -0.428 0.000 1.011 405 T CB 1.457 70.187 68.868 -0.229 0.000 1.291 405 T HN 0.485 nan 8.240 nan 0.000 0.523 406 E N -0.059 119.937 120.200 -0.340 0.000 2.511 406 E HA 0.030 4.387 4.350 0.012 0.000 0.196 406 E C 0.234 176.697 176.600 -0.228 0.000 1.066 406 E CA 0.435 56.669 56.400 -0.277 0.000 0.871 406 E CB 0.373 29.969 29.700 -0.173 0.000 0.863 406 E HN 0.820 nan 8.360 nan 0.000 0.520 407 E N 0.430 120.492 120.200 -0.229 0.000 2.313 407 E HA 0.335 4.692 4.350 0.012 0.000 0.280 407 E C -1.884 174.579 176.600 -0.229 0.000 0.898 407 E CA -0.468 55.815 56.400 -0.195 0.000 0.803 407 E CB 2.154 31.764 29.700 -0.150 0.000 1.286 407 E HN -0.082 nan 8.360 nan 0.000 0.401 408 V N 5.886 125.652 119.914 -0.246 0.000 2.443 408 V HA 0.424 4.552 4.120 0.012 0.000 0.293 408 V C -0.239 175.606 176.094 -0.414 0.000 1.021 408 V CA -0.638 61.422 62.300 -0.401 0.000 0.848 408 V CB 1.356 32.881 31.823 -0.496 0.000 0.998 408 V HN 0.628 nan 8.190 nan 0.000 0.424 409 L N 3.729 124.695 121.223 -0.429 0.000 2.325 409 L HA 0.520 4.868 4.340 0.012 0.000 0.278 409 L C 0.292 176.949 176.870 -0.355 0.000 1.023 409 L CA -0.247 54.440 54.840 -0.256 0.000 0.811 409 L CB 2.157 44.122 42.059 -0.157 0.000 1.249 409 L HN 0.665 nan 8.230 nan 0.000 0.431 410 W N 0.162 121.431 121.300 -0.052 0.000 3.471 410 W HA 0.072 4.739 4.660 0.012 0.000 0.230 410 W C 0.778 177.257 176.519 -0.066 0.000 1.105 410 W CA 0.030 57.348 57.345 -0.044 0.000 1.631 410 W CB 0.218 29.657 29.460 -0.036 0.000 0.848 410 W HN 0.744 nan 8.180 nan 0.000 0.766 411 N N 1.213 119.992 118.700 0.130 0.000 2.705 411 N HA -0.178 4.569 4.740 0.012 0.000 0.255 411 N C -1.278 174.211 175.510 -0.036 0.000 1.008 411 N CA 0.519 53.560 53.050 -0.014 0.000 0.742 411 N CB -1.204 37.274 38.487 -0.016 0.000 0.906 411 N HN -0.218 nan 8.380 nan 0.000 0.541 412 V N 1.056 120.945 119.914 -0.040 0.000 2.459 412 V HA 0.400 4.527 4.120 0.012 0.000 0.295 412 V C 0.302 176.312 176.094 -0.141 0.000 1.029 412 V CA -0.651 61.632 62.300 -0.028 0.000 0.874 412 V CB 1.109 32.949 31.823 0.029 0.000 0.985 412 V HN 0.302 nan 8.190 nan 0.000 0.438 413 W N 5.487 126.776 121.300 -0.018 0.000 2.416 413 W HA 0.509 5.177 4.660 0.012 0.000 0.318 413 W C -0.115 176.349 176.519 -0.092 0.000 1.150 413 W CA -0.401 56.915 57.345 -0.049 0.000 1.392 413 W CB 0.780 30.215 29.460 -0.042 0.000 1.311 413 W HN 0.377 nan 8.180 nan 0.000 0.436 414 L N 4.005 125.296 121.223 0.112 0.000 2.283 414 L HA 0.239 4.586 4.340 0.012 0.000 0.287 414 L C 0.397 177.211 176.870 -0.094 0.000 1.073 414 L CA -0.271 54.520 54.840 -0.081 0.000 0.822 414 L CB 0.574 42.500 42.059 -0.222 0.000 1.186 414 L HN 0.388 nan 8.230 nan 0.000 0.436 415 E N 3.399 123.536 120.200 -0.104 0.000 2.115 415 E HA 0.339 4.696 4.350 0.012 0.000 0.282 415 E C -0.803 175.739 176.600 -0.097 0.000 0.987 415 E CA -0.656 55.718 56.400 -0.043 0.000 0.797 415 E CB 0.843 30.532 29.700 -0.018 0.000 1.086 415 E HN 0.259 nan 8.360 nan 0.000 0.397 416 F N 1.195 121.191 119.950 0.077 0.000 2.368 416 F HA 0.050 4.584 4.527 0.012 0.000 0.308 416 F C 1.957 177.805 175.800 0.080 0.000 1.198 416 F CA 0.046 58.113 58.000 0.112 0.000 1.130 416 F CB 1.055 40.189 39.000 0.224 0.000 1.300 416 F HN 0.540 nan 8.300 nan 0.000 0.537 417 S N 0.105 115.974 115.700 0.281 0.000 2.524 417 S HA 0.167 4.644 4.470 0.012 0.000 0.216 417 S C 0.360 175.042 174.600 0.137 0.000 0.987 417 S CA -0.227 58.063 58.200 0.151 0.000 0.909 417 S CB -0.363 62.897 63.200 0.100 0.000 0.781 417 S HN 0.487 nan 8.310 nan 0.000 0.521 418 I N 2.153 122.832 120.570 0.181 0.000 2.342 418 I HA 0.433 4.610 4.170 0.012 0.000 0.291 418 I C -0.480 175.710 176.117 0.123 0.000 1.010 418 I CA -0.885 60.479 61.300 0.106 0.000 1.308 418 I CB 0.991 39.023 38.000 0.052 0.000 1.400 418 I HN -0.076 nan 8.210 nan 0.000 0.488 419 K N 5.604 126.051 120.400 0.078 0.000 2.286 419 K HA 0.149 4.476 4.320 0.012 0.000 0.256 419 K C 0.891 177.552 176.600 0.101 0.000 0.999 419 K CA 0.204 56.543 56.287 0.087 0.000 0.908 419 K CB 0.525 33.055 32.500 0.051 0.000 0.981 419 K HN 0.566 nan 8.250 nan 0.000 0.500 420 I N 1.293 121.940 120.570 0.129 0.000 2.315 420 I HA -0.284 3.893 4.170 0.012 0.000 0.248 420 I C 1.977 178.170 176.117 0.127 0.000 1.117 420 I CA 1.333 62.719 61.300 0.143 0.000 1.404 420 I CB -0.224 37.876 38.000 0.165 0.000 1.071 420 I HN 0.624 nan 8.210 nan 0.000 0.419 421 K N 0.158 120.643 120.400 0.140 0.000 2.217 421 K HA -0.127 4.200 4.320 0.012 0.000 0.202 421 K C 0.976 177.655 176.600 0.131 0.000 1.051 421 K CA 1.343 57.760 56.287 0.218 0.000 0.952 421 K CB -0.196 32.420 32.500 0.193 0.000 0.736 421 K HN 0.159 nan 8.250 nan 0.000 0.453 422 D N 1.172 121.594 120.400 0.037 0.000 2.352 422 D HA 0.052 4.699 4.640 0.012 0.000 0.232 422 D C -0.007 176.284 176.300 -0.015 0.000 1.055 422 D CA 0.352 54.336 54.000 -0.025 0.000 0.891 422 D CB 0.039 40.812 40.800 -0.045 0.000 0.897 422 D HN 0.243 nan 8.370 nan 0.000 0.529 423 L N 3.024 124.259 121.223 0.021 0.000 2.313 423 L HA 0.203 4.550 4.340 0.012 0.000 0.282 423 L C -1.982 174.913 176.870 0.040 0.000 1.092 423 L CA -1.397 53.430 54.840 -0.022 0.000 0.831 423 L CB 0.867 42.883 42.059 -0.072 0.000 1.159 423 L HN -0.211 nan 8.230 nan 0.000 0.442 424 P HA 0.165 nan 4.420 nan 0.000 0.286 424 P C -1.068 176.295 177.300 0.104 0.000 1.261 424 P CA -0.929 62.206 63.100 0.057 0.000 0.821 424 P CB 1.296 32.938 31.700 -0.097 0.000 1.013 425 K N 1.427 121.913 120.400 0.143 0.000 2.472 425 K HA 0.306 4.633 4.320 0.012 0.000 0.280 425 K C 1.178 177.874 176.600 0.159 0.000 1.028 425 K CA 1.416 57.763 56.287 0.101 0.000 1.045 425 K CB -1.036 31.490 32.500 0.042 0.000 0.902 425 K HN 0.792 nan 8.250 nan 0.000 0.478 426 G N 2.050 110.920 108.800 0.118 0.000 2.195 426 G HA2 -0.221 3.746 3.960 0.012 0.000 0.224 426 G HA3 -0.221 3.746 3.960 0.012 0.000 0.224 426 G C 0.208 175.038 174.900 -0.118 0.000 0.990 426 G CA -0.082 44.994 45.100 -0.039 0.000 0.639 426 G HN 0.961 nan 8.290 nan 0.000 0.514 427 A N 0.305 123.132 122.820 0.011 0.000 2.498 427 A HA 0.616 4.943 4.320 0.012 0.000 0.239 427 A C 0.404 177.907 177.584 -0.136 0.000 1.068 427 A CA 0.518 52.542 52.037 -0.021 0.000 0.766 427 A CB 0.284 19.258 19.000 -0.043 0.000 1.003 427 A HN 0.925 nan 8.150 nan 0.000 0.497 428 L N 2.158 123.299 121.223 -0.136 0.000 2.329 428 L HA 0.360 4.707 4.340 0.012 0.000 0.279 428 L C -0.506 176.285 176.870 -0.133 0.000 1.014 428 L CA -0.930 53.829 54.840 -0.136 0.000 0.814 428 L CB 1.776 43.770 42.059 -0.107 0.000 1.257 428 L HN 0.707 nan 8.230 nan 0.000 0.424 429 L N 4.888 126.036 121.223 -0.126 0.000 2.334 429 L HA 0.254 4.602 4.340 0.012 0.000 0.286 429 L C 0.072 176.938 176.870 -0.006 0.000 1.108 429 L CA 0.357 55.148 54.840 -0.081 0.000 0.875 429 L CB 0.078 42.104 42.059 -0.056 0.000 1.246 429 L HN 0.520 nan 8.230 nan 0.000 0.439 430 N N 6.176 124.892 118.700 0.027 0.000 2.414 430 N HA 0.240 4.987 4.740 0.012 0.000 0.256 430 N C -1.386 174.190 175.510 0.110 0.000 1.029 430 N CA -0.397 52.694 53.050 0.070 0.000 0.948 430 N CB 0.669 39.191 38.487 0.059 0.000 1.102 430 N HN 0.627 nan 8.380 nan 0.000 0.496 431 L N 3.181 124.470 121.223 0.109 0.000 2.305 431 L HA 0.417 4.765 4.340 0.012 0.000 0.284 431 L C -0.155 176.784 176.870 0.115 0.000 1.013 431 L CA -0.579 54.322 54.840 0.102 0.000 0.819 431 L CB 1.667 43.761 42.059 0.059 0.000 1.227 431 L HN 0.407 nan 8.230 nan 0.000 0.417 432 Q N 3.951 123.810 119.800 0.099 0.000 2.359 432 Q HA 0.609 4.956 4.340 0.012 0.000 0.274 432 Q C -1.218 174.750 176.000 -0.052 0.000 1.074 432 Q CA -0.656 55.164 55.803 0.029 0.000 0.810 432 Q CB 3.527 32.247 28.738 -0.030 0.000 1.342 432 Q HN 0.539 nan 8.270 nan 0.000 0.427 433 I N 2.417 122.917 120.570 -0.116 0.000 2.354 433 I HA 0.374 4.552 4.170 0.012 0.000 0.292 433 I C -0.934 174.980 176.117 -0.338 0.000 0.989 433 I CA -0.598 60.638 61.300 -0.106 0.000 1.188 433 I CB 0.629 38.700 38.000 0.119 0.000 1.342 433 I HN 0.532 nan 8.210 nan 0.000 0.457 434 Y N 4.138 124.176 120.300 -0.436 0.000 2.596 434 Y HA 0.618 5.175 4.550 0.012 0.000 0.326 434 Y C 0.380 176.054 175.900 -0.377 0.000 1.167 434 Y CA -0.370 57.432 58.100 -0.496 0.000 1.246 434 Y CB 1.601 39.549 38.460 -0.853 0.000 1.347 434 Y HN 0.502 nan 8.280 nan 0.000 0.515 460 L N 2.831 124.020 121.223 -0.057 0.000 2.313 460 L HA 0.208 4.555 4.340 0.012 0.000 0.282 460 L C 0.162 176.877 176.870 -0.258 0.000 1.092 460 L CA 0.239 54.872 54.840 -0.346 0.000 0.831 460 L CB 0.616 42.468 42.059 -0.346 0.000 1.159 460 L HN 0.290 nan 8.230 nan 0.000 0.442 461 L N 4.963 126.005 121.223 -0.303 0.000 2.526 461 L HA 0.277 4.624 4.340 0.012 0.000 0.210 461 L C -0.364 176.139 176.870 -0.613 0.000 1.048 461 L CA 0.536 55.111 54.840 -0.442 0.000 0.852 461 L CB -0.278 41.524 42.059 -0.428 0.000 1.128 461 L HN 0.514 nan 8.230 nan 0.000 0.482 462 Y N -0.864 119.418 120.300 -0.029 0.000 2.576 462 Y HA 0.511 5.069 4.550 0.012 0.000 0.346 462 Y C -0.584 175.373 175.900 0.095 0.000 1.018 462 Y CA -1.342 56.770 58.100 0.020 0.000 1.050 462 Y CB 1.673 40.120 38.460 -0.022 0.000 1.280 462 Y HN 0.065 nan 8.280 nan 0.000 0.474 463 Y N -1.145 119.271 120.300 0.194 0.000 2.624 463 Y HA 0.844 5.402 4.550 0.012 0.000 0.334 463 Y C -2.161 173.866 175.900 0.213 0.000 1.155 463 Y CA -1.454 56.728 58.100 0.137 0.000 1.046 463 Y CB 1.444 39.957 38.460 0.090 0.000 1.316 463 Y HN 0.621 nan 8.280 nan 0.000 0.457 464 V N 2.420 122.492 119.914 0.263 0.000 3.098 464 V HA 0.484 4.611 4.120 0.012 0.000 0.294 464 V C -1.968 174.232 176.094 0.175 0.000 1.351 464 V CA -0.788 61.626 62.300 0.190 0.000 0.999 464 V CB 2.434 34.257 31.823 -0.000 0.000 1.104 464 V HN 1.011 nan 8.190 nan 0.000 0.438 465 N N 3.347 122.144 118.700 0.161 0.000 2.335 465 N HA 0.746 5.493 4.740 0.012 0.000 0.304 465 N C -1.682 173.837 175.510 0.014 0.000 1.135 465 N CA -0.447 52.653 53.050 0.083 0.000 0.817 465 N CB 2.620 41.160 38.487 0.088 0.000 1.294 465 N HN 0.541 nan 8.380 nan 0.000 0.497 466 L N 1.726 122.923 121.223 -0.044 0.000 2.541 466 L HA 0.418 4.765 4.340 0.012 0.000 0.266 466 L C -1.174 175.628 176.870 -0.113 0.000 0.966 466 L CA -0.364 54.417 54.840 -0.098 0.000 0.871 466 L CB 1.155 43.087 42.059 -0.210 0.000 1.232 466 L HN 0.452 nan 8.230 nan 0.000 0.408 467 L N 5.689 126.850 121.223 -0.103 0.000 2.584 467 L HA 0.011 4.358 4.340 0.012 0.000 0.272 467 L C 1.246 178.046 176.870 -0.117 0.000 1.195 467 L CA 0.310 55.062 54.840 -0.147 0.000 0.920 467 L CB 0.479 42.421 42.059 -0.195 0.000 1.173 467 L HN 0.775 nan 8.230 nan 0.000 0.489 468 L N 4.512 125.647 121.223 -0.147 0.000 2.179 468 L HA 0.031 4.378 4.340 0.012 0.000 0.208 468 L C 0.446 177.267 176.870 -0.082 0.000 1.096 468 L CA 0.637 55.385 54.840 -0.153 0.000 0.779 468 L CB 0.085 41.960 42.059 -0.306 0.000 0.922 468 L HN 0.506 nan 8.230 nan 0.000 0.443 469 I N 0.820 121.355 120.570 -0.057 0.000 2.355 469 I HA 0.172 4.350 4.170 0.012 0.000 0.288 469 I C -0.343 175.803 176.117 0.048 0.000 0.999 469 I CA -0.911 60.379 61.300 -0.016 0.000 1.163 469 I CB 0.960 38.944 38.000 -0.027 0.000 1.316 469 I HN 0.045 nan 8.210 nan 0.000 0.454 470 D N 5.498 125.909 120.400 0.017 0.000 2.414 470 D HA 0.004 4.651 4.640 0.012 0.000 0.259 470 D C 1.280 177.578 176.300 -0.003 0.000 1.269 470 D CA 0.046 54.077 54.000 0.052 0.000 1.028 470 D CB 0.197 40.945 40.800 -0.087 0.000 1.093 470 D HN 0.603 nan 8.370 nan 0.000 0.545 471 H N -1.346 117.712 119.070 -0.019 0.000 2.563 471 H HA 0.158 4.721 4.556 0.012 0.000 0.272 471 H C 0.462 175.634 175.328 -0.259 0.000 1.005 471 H CA 0.268 56.166 56.048 -0.250 0.000 1.171 471 H CB -0.115 29.513 29.762 -0.223 0.000 1.351 471 H HN 0.317 nan 8.280 nan 0.000 0.602 472 R N -0.357 119.914 120.500 -0.383 0.000 2.577 472 R HA 0.110 4.457 4.340 0.012 0.000 0.344 472 R C -0.574 175.837 176.300 0.186 0.000 1.037 472 R CA -0.399 55.624 56.100 -0.130 0.000 1.102 472 R CB 0.290 30.414 30.300 -0.293 0.000 1.313 472 R HN 0.059 nan 8.270 nan 0.000 0.561 473 F N -0.034 119.814 119.950 -0.170 0.000 3.018 473 F HA -0.256 4.278 4.527 0.012 0.000 0.287 473 F C -0.333 175.409 175.800 -0.096 0.000 0.813 473 F CA 0.366 58.300 58.000 -0.109 0.000 1.209 473 F CB -1.698 37.235 39.000 -0.113 0.000 1.321 473 F HN 0.050 nan 8.300 nan 0.000 0.477 474 L N 0.772 122.005 121.223 0.017 0.000 2.295 474 L HA 0.494 4.841 4.340 0.012 0.000 0.285 474 L C 0.275 177.153 176.870 0.013 0.000 1.035 474 L CA -1.257 53.586 54.840 0.006 0.000 0.806 474 L CB 1.372 43.416 42.059 -0.024 0.000 1.214 474 L HN 0.000 nan 8.230 nan 0.000 0.426 475 L N 3.875 125.119 121.223 0.035 0.000 2.462 475 L HA 0.110 4.458 4.340 0.012 0.000 0.272 475 L C 0.589 177.508 176.870 0.083 0.000 1.166 475 L CA 0.329 55.202 54.840 0.055 0.000 0.880 475 L CB 0.314 42.421 42.059 0.080 0.000 1.142 475 L HN 0.501 nan 8.230 nan 0.000 0.473 476 R N 5.131 125.681 120.500 0.083 0.000 2.502 476 R HA 0.196 4.543 4.340 0.012 0.000 0.292 476 R C -0.395 176.025 176.300 0.200 0.000 0.998 476 R CA 0.408 56.582 56.100 0.123 0.000 1.056 476 R CB 0.207 30.528 30.300 0.034 0.000 0.939 476 R HN 0.770 nan 8.270 nan 0.000 0.411 477 R N 3.051 123.710 120.500 0.264 0.000 2.771 477 R HA 0.578 4.926 4.340 0.012 0.000 0.274 477 R C -0.942 175.543 176.300 0.309 0.000 0.987 477 R CA 0.104 56.356 56.100 0.254 0.000 0.908 477 R CB 1.757 32.152 30.300 0.159 0.000 1.213 477 R HN 0.872 nan 8.270 nan 0.000 0.468 478 G N 1.995 110.934 108.800 0.231 0.000 2.466 478 G HA2 -0.145 3.823 3.960 0.012 0.000 0.316 478 G HA3 -0.145 3.823 3.960 0.012 0.000 0.316 478 G C -1.344 173.589 174.900 0.054 0.000 1.270 478 G CA -0.749 44.400 45.100 0.081 0.000 0.982 478 G HN 0.529 nan 8.290 nan 0.000 0.506 479 E N -0.380 119.729 120.200 -0.152 0.000 2.313 479 E HA 0.602 4.959 4.350 0.012 0.000 0.272 479 E C -1.130 175.234 176.600 -0.395 0.000 1.038 479 E CA 0.046 56.367 56.400 -0.131 0.000 0.863 479 E CB 1.409 31.046 29.700 -0.105 0.000 1.060 479 E HN 0.407 nan 8.360 nan 0.000 0.402 480 Y N -0.474 119.799 120.300 -0.044 0.000 2.401 480 Y HA 0.224 4.781 4.550 0.012 0.000 0.330 480 Y C -0.458 175.382 175.900 -0.100 0.000 1.071 480 Y CA -0.813 57.239 58.100 -0.080 0.000 1.049 480 Y CB 1.798 40.181 38.460 -0.128 0.000 1.239 480 Y HN 0.093 nan 8.280 nan 0.000 0.437 481 V N 5.720 125.646 119.914 0.020 0.000 2.293 481 V HA 0.394 4.522 4.120 0.012 0.000 0.275 481 V C -0.446 175.590 176.094 -0.096 0.000 1.021 481 V CA -0.626 61.636 62.300 -0.064 0.000 0.815 481 V CB 0.672 32.446 31.823 -0.082 0.000 1.025 481 V HN 0.567 nan 8.190 nan 0.000 0.448 482 L N 4.817 125.951 121.223 -0.147 0.000 2.282 482 L HA 0.568 4.915 4.340 0.012 0.000 0.288 482 L C 0.104 176.810 176.870 -0.273 0.000 1.033 482 L CA -0.573 54.180 54.840 -0.146 0.000 0.807 482 L CB 1.025 43.007 42.059 -0.129 0.000 1.209 482 L HN 0.544 nan 8.230 nan 0.000 0.423 483 H N 4.576 123.528 119.070 -0.197 0.000 2.562 483 H HA 0.410 4.974 4.556 0.012 0.000 0.314 483 H C -0.374 174.696 175.328 -0.430 0.000 1.079 483 H CA -0.253 55.629 56.048 -0.277 0.000 1.349 483 H CB 1.454 31.050 29.762 -0.276 0.000 1.432 483 H HN 0.483 nan 8.280 nan 0.000 0.479 484 M N 2.043 121.461 119.600 -0.305 0.000 2.573 484 M HA 0.242 4.729 4.480 0.012 0.000 0.309 484 M C -0.566 175.474 176.300 -0.433 0.000 1.202 484 M CA -0.698 54.385 55.300 -0.361 0.000 0.975 484 M CB 1.477 33.988 32.600 -0.149 0.000 1.600 484 M HN 0.420 nan 8.290 nan 0.000 0.479 485 W N 0.651 121.754 121.300 -0.330 0.000 2.381 485 W HA 0.460 5.127 4.660 0.012 0.000 0.329 485 W C 0.235 176.636 176.519 -0.198 0.000 1.157 485 W CA -0.306 56.818 57.345 -0.368 0.000 1.240 485 W CB 0.486 29.516 29.460 -0.717 0.000 1.199 485 W HN 0.518 nan 8.180 nan 0.000 0.579 486 Q N 1.494 121.405 119.800 0.185 0.000 2.199 486 Q HA 0.440 4.787 4.340 0.012 0.000 0.232 486 Q C -0.360 175.689 176.000 0.081 0.000 0.969 486 Q CA -0.628 55.178 55.803 0.005 0.000 0.925 486 Q CB 0.986 29.725 28.738 0.002 0.000 1.198 486 Q HN 0.327 nan 8.270 nan 0.000 0.494 497 F N 3.550 123.478 119.950 -0.037 0.000 2.730 497 F HA 0.383 4.917 4.527 0.012 0.000 0.295 497 F C 0.778 176.566 175.800 -0.020 0.000 1.143 497 F CA -0.677 57.305 58.000 -0.029 0.000 1.367 497 F CB 0.276 39.265 39.000 -0.017 0.000 0.970 497 F HN 0.239 nan 8.300 nan 0.000 0.514 498 N N 0.932 119.664 118.700 0.053 0.000 2.518 498 N HA 0.141 4.889 4.740 0.012 0.000 0.266 498 N C 1.083 176.614 175.510 0.036 0.000 1.196 498 N CA 0.419 53.479 53.050 0.017 0.000 0.947 498 N CB 1.516 39.962 38.487 -0.068 0.000 1.098 498 N HN 0.275 nan 8.380 nan 0.000 0.450 499 A N 2.859 125.716 122.820 0.062 0.000 2.119 499 A HA -0.056 4.272 4.320 0.012 0.000 0.216 499 A C 1.358 179.005 177.584 0.106 0.000 1.152 499 A CA 0.785 52.885 52.037 0.104 0.000 0.708 499 A CB 0.058 19.025 19.000 -0.055 0.000 0.805 499 A HN 0.691 nan 8.150 nan 0.000 0.460 500 D N 0.336 120.726 120.400 -0.018 0.000 2.219 500 D HA -0.080 4.568 4.640 0.012 0.000 0.205 500 D C 1.492 177.792 176.300 0.000 0.000 0.970 500 D CA 0.964 54.890 54.000 -0.124 0.000 0.851 500 D CB -0.150 40.278 40.800 -0.621 0.000 0.943 500 D HN 0.450 nan 8.370 nan 0.000 0.488 501 K N 0.076 120.415 120.400 -0.102 0.000 2.555 501 K HA 0.061 4.389 4.320 0.012 0.000 0.193 501 K C 1.577 178.167 176.600 -0.017 0.000 1.032 501 K CA 0.189 56.323 56.287 -0.256 0.000 1.004 501 K CB 0.277 32.481 32.500 -0.493 0.000 0.804 501 K HN 0.193 nan 8.250 nan 0.000 0.496 502 L N -0.066 121.200 121.223 0.072 0.000 2.554 502 L HA 0.037 4.384 4.340 0.012 0.000 0.225 502 L C 1.196 178.124 176.870 0.096 0.000 1.104 502 L CA -0.081 54.816 54.840 0.095 0.000 0.866 502 L CB 0.297 42.446 42.059 0.150 0.000 1.047 502 L HN 0.001 nan 8.230 nan 0.000 0.468 503 T N -0.390 114.191 114.554 0.046 0.000 2.940 503 T HA -0.022 4.335 4.350 0.012 0.000 0.309 503 T C 1.262 175.961 174.700 -0.002 0.000 1.056 503 T CA 0.352 62.364 62.100 -0.147 0.000 1.137 503 T CB 0.847 69.371 68.868 -0.572 0.000 0.976 503 T HN 0.334 nan 8.240 nan 0.000 0.547 504 S N 2.898 118.587 115.700 -0.018 0.000 2.575 504 S HA 0.440 4.917 4.470 0.012 0.000 0.215 504 S C 0.733 175.407 174.600 0.124 0.000 0.966 504 S CA -0.233 57.987 58.200 0.033 0.000 0.911 504 S CB 0.038 63.197 63.200 -0.067 0.000 0.780 504 S HN 0.899 nan 8.310 nan 0.000 0.514 505 A N 2.234 125.129 122.820 0.125 0.000 2.316 505 A HA 0.626 4.954 4.320 0.012 0.000 0.284 505 A C 0.613 178.379 177.584 0.303 0.000 1.115 505 A CA -0.328 51.826 52.037 0.195 0.000 0.812 505 A CB 0.349 19.425 19.000 0.127 0.000 1.064 505 A HN 0.541 nan 8.150 nan 0.000 0.489 506 T N -0.066 114.569 114.554 0.136 0.000 2.943 506 T HA 0.374 4.731 4.350 0.012 0.000 0.284 506 T C 0.101 174.491 174.700 -0.517 0.000 1.015 506 T CA -0.947 61.063 62.100 -0.150 0.000 1.042 506 T CB 0.774 69.614 68.868 -0.047 0.000 1.055 506 T HN 0.568 nan 8.240 nan 0.000 0.500 507 N N 2.235 120.266 118.700 -1.115 0.000 2.440 507 N HA 0.132 4.880 4.740 0.012 0.000 0.265 507 N C -1.690 173.507 175.510 -0.521 0.000 1.239 507 N CA -1.821 50.489 53.050 -1.233 0.000 0.909 507 N CB 1.022 38.832 38.487 -1.128 0.000 1.066 507 N HN 0.334 nan 8.380 nan 0.000 0.474 508 P HA -0.090 nan 4.420 nan 0.000 0.216 508 P C -0.207 176.969 177.300 -0.205 0.000 1.153 508 P CA 0.959 63.958 63.100 -0.167 0.000 0.848 508 P CB 0.082 31.766 31.700 -0.027 0.000 0.787 509 D N 0.049 120.338 120.400 -0.185 0.000 2.385 509 D HA -0.031 4.616 4.640 0.012 0.000 0.260 509 D C 0.865 177.027 176.300 -0.231 0.000 1.326 509 D CA 0.370 54.279 54.000 -0.153 0.000 1.023 509 D CB -0.137 40.615 40.800 -0.079 0.000 1.083 509 D HN -0.000 nan 8.370 nan 0.000 0.517 510 K N 1.989 122.205 120.400 -0.306 0.000 2.418 510 K HA -0.050 4.278 4.320 0.012 0.000 0.195 510 K C 1.325 177.833 176.600 -0.153 0.000 1.035 510 K CA 0.485 56.484 56.287 -0.480 0.000 1.003 510 K CB 0.383 32.542 32.500 -0.568 0.000 0.793 510 K HN 0.570 nan 8.250 nan 0.000 0.494 511 E N -0.649 119.495 120.200 -0.092 0.000 2.452 511 E HA 0.032 4.390 4.350 0.012 0.000 0.197 511 E C 0.772 177.363 176.600 -0.015 0.000 1.022 511 E CA 0.281 56.659 56.400 -0.036 0.000 0.890 511 E CB 0.322 30.000 29.700 -0.036 0.000 0.918 511 E HN 0.062 nan 8.360 nan 0.000 0.496 512 N N 0.686 119.377 118.700 -0.014 0.000 2.168 512 N HA 0.021 4.768 4.740 0.012 0.000 0.216 512 N C -0.107 175.415 175.510 0.020 0.000 1.259 512 N CA 0.456 53.511 53.050 0.008 0.000 0.902 512 N CB 1.269 39.765 38.487 0.016 0.000 1.079 512 N HN 0.173 nan 8.380 nan 0.000 0.507 513 S N 0.497 116.202 115.700 0.008 0.000 2.616 513 S HA 0.490 4.967 4.470 0.012 0.000 0.277 513 S C 0.326 174.895 174.600 -0.052 0.000 1.234 513 S CA -0.735 57.465 58.200 0.001 0.000 1.028 513 S CB 1.713 64.883 63.200 -0.049 0.000 0.988 513 S HN 0.097 nan 8.310 nan 0.000 0.522 514 M N 2.670 122.157 119.600 -0.188 0.000 2.249 514 M HA 0.394 4.881 4.480 0.012 0.000 0.340 514 M C -0.017 176.102 176.300 -0.303 0.000 1.166 514 M CA 0.651 55.717 55.300 -0.390 0.000 1.115 514 M CB 0.580 32.585 32.600 -0.991 0.000 1.606 514 M HN 0.825 nan 8.290 nan 0.000 0.448 515 S N 4.722 120.235 115.700 -0.311 0.000 2.599 515 S HA 0.841 5.318 4.470 0.012 0.000 0.294 515 S C -1.233 173.210 174.600 -0.262 0.000 1.094 515 S CA -0.953 57.016 58.200 -0.385 0.000 0.931 515 S CB 0.948 63.833 63.200 -0.525 0.000 1.093 515 S HN 0.821 nan 8.310 nan 0.000 0.488 516 I N 1.899 122.328 120.570 -0.234 0.000 2.686 516 I HA 0.552 4.730 4.170 0.012 0.000 0.295 516 I C -1.239 174.812 176.117 -0.110 0.000 1.114 516 I CA -0.274 60.948 61.300 -0.129 0.000 1.038 516 I CB 2.265 40.212 38.000 -0.089 0.000 1.238 516 I HN 0.629 nan 8.210 nan 0.000 0.420 517 S N 7.528 123.189 115.700 -0.065 0.000 2.478 517 S HA 0.692 5.170 4.470 0.012 0.000 0.312 517 S C -0.533 174.045 174.600 -0.038 0.000 1.094 517 S CA -0.567 57.603 58.200 -0.051 0.000 1.081 517 S CB 1.295 64.461 63.200 -0.055 0.000 1.007 517 S HN 0.541 nan 8.310 nan 0.000 0.475 518 I N 0.044 120.605 120.570 -0.015 0.000 3.239 518 I HA 0.853 5.030 4.170 0.012 0.000 0.314 518 I C -1.818 174.299 176.117 0.001 0.000 1.126 518 I CA -1.413 59.870 61.300 -0.029 0.000 0.973 518 I CB 1.812 39.809 38.000 -0.005 0.000 1.252 518 I HN 0.492 nan 8.210 nan 0.000 0.463 519 L N 2.977 124.170 121.223 -0.051 0.000 2.431 519 L HA 0.721 5.068 4.340 0.012 0.000 0.266 519 L C -1.856 175.071 176.870 0.095 0.000 0.978 519 L CA -0.367 54.478 54.840 0.008 0.000 0.822 519 L CB 1.985 43.988 42.059 -0.092 0.000 1.310 519 L HN 0.666 nan 8.230 nan 0.000 0.409 520 L N 4.382 125.728 121.223 0.203 0.000 2.436 520 L HA 0.725 5.072 4.340 0.012 0.000 0.268 520 L C -1.183 175.825 176.870 0.230 0.000 0.974 520 L CA -0.478 54.504 54.840 0.237 0.000 0.826 520 L CB 2.116 44.327 42.059 0.254 0.000 1.291 520 L HN 0.582 nan 8.230 nan 0.000 0.406 529 L N 3.256 124.454 121.223 -0.042 0.000 2.282 529 L HA 0.781 5.128 4.340 0.012 0.000 0.288 529 L C -2.289 174.433 176.870 -0.246 0.000 1.033 529 L CA -1.452 53.293 54.840 -0.159 0.000 0.807 529 L CB 0.743 42.843 42.059 0.068 0.000 1.209 529 L HN 0.507 nan 8.230 nan 0.000 0.423 530 P HA 0.242 nan 4.420 nan 0.000 0.285 530 P C -1.146 175.977 177.300 -0.296 0.000 1.282 530 P CA -0.250 62.488 63.100 -0.604 0.000 0.778 530 P CB 0.474 31.546 31.700 -1.046 0.000 1.222 547 M N 4.159 123.655 119.600 -0.174 0.000 2.211 547 M HA 0.405 4.892 4.480 0.012 0.000 0.356 547 M C -1.897 174.323 176.300 -0.133 0.000 1.216 547 M CA -1.607 53.540 55.300 -0.255 0.000 1.134 547 M CB 0.502 32.815 32.600 -0.477 0.000 1.564 547 M HN 0.314 nan 8.290 nan 0.000 0.463 548 P HA 0.031 nan 4.420 nan 0.000 0.267 548 P C 0.135 177.407 177.300 -0.047 0.000 1.200 548 P CA 0.004 63.084 63.100 -0.034 0.000 0.772 548 P CB 0.444 32.149 31.700 0.008 0.000 0.855 549 N N 2.707 121.388 118.700 -0.032 0.000 2.011 549 N HA -0.287 4.460 4.740 0.012 0.000 0.199 549 N C 1.615 177.110 175.510 -0.026 0.000 1.047 549 N CA 2.239 55.271 53.050 -0.030 0.000 0.863 549 N CB -0.663 37.814 38.487 -0.018 0.000 1.056 549 N HN 0.417 nan 8.380 nan 0.000 0.427 550 Q N 0.248 120.041 119.800 -0.011 0.000 2.077 550 Q HA -0.077 4.270 4.340 0.012 0.000 0.206 550 Q C 2.167 178.167 176.000 0.001 0.000 0.989 550 Q CA 1.746 57.549 55.803 -0.001 0.000 0.853 550 Q CB -0.668 28.075 28.738 0.009 0.000 0.907 550 Q HN 0.622 nan 8.270 nan 0.000 0.418 551 L N -0.202 121.024 121.223 0.005 0.000 2.083 551 L HA -0.156 4.191 4.340 0.012 0.000 0.209 551 L C 2.769 179.618 176.870 -0.034 0.000 1.083 551 L CA 1.683 56.538 54.840 0.025 0.000 0.752 551 L CB -0.530 41.575 42.059 0.078 0.000 0.899 551 L HN 0.306 nan 8.230 nan 0.000 0.433 552 R N 0.779 121.225 120.500 -0.091 0.000 2.073 552 R HA -0.192 4.155 4.340 0.012 0.000 0.234 552 R C 2.314 178.576 176.300 -0.063 0.000 1.134 552 R CA 1.545 57.580 56.100 -0.110 0.000 0.952 552 R CB -0.043 30.194 30.300 -0.106 0.000 0.850 552 R HN 0.231 nan 8.270 nan 0.000 0.433 553 K N 0.201 120.579 120.400 -0.038 0.000 2.063 553 K HA -0.258 4.069 4.320 0.012 0.000 0.208 553 K C 2.267 178.857 176.600 -0.016 0.000 1.048 553 K CA 1.995 58.269 56.287 -0.022 0.000 0.928 553 K CB -0.169 32.324 32.500 -0.012 0.000 0.713 553 K HN 0.351 nan 8.250 nan 0.000 0.442 554 Q N 0.847 120.644 119.800 -0.004 0.000 2.084 554 Q HA -0.194 4.153 4.340 0.012 0.000 0.202 554 Q C 2.164 178.168 176.000 0.007 0.000 0.978 554 Q CA 1.272 57.081 55.803 0.011 0.000 0.844 554 Q CB -0.038 28.719 28.738 0.032 0.000 0.898 554 Q HN 0.193 nan 8.270 nan 0.000 0.426 555 L N 1.013 122.234 121.223 -0.002 0.000 2.056 555 L HA -0.138 4.210 4.340 0.012 0.000 0.207 555 L C 1.845 178.676 176.870 -0.065 0.000 1.078 555 L CA 1.875 56.704 54.840 -0.018 0.000 0.749 555 L CB -0.306 41.732 42.059 -0.034 0.000 0.901 555 L HN 0.230 nan 8.230 nan 0.000 0.433 556 E N -0.508 119.644 120.200 -0.079 0.000 2.110 556 E HA -0.212 4.146 4.350 0.012 0.000 0.193 556 E C 2.171 178.748 176.600 -0.038 0.000 0.988 556 E CA 1.063 57.414 56.400 -0.082 0.000 0.804 556 E CB -0.299 29.368 29.700 -0.056 0.000 0.745 556 E HN 0.650 nan 8.360 nan 0.000 0.458 557 A N 1.395 124.202 122.820 -0.021 0.000 1.877 557 A HA -0.194 4.134 4.320 0.012 0.000 0.216 557 A C 2.192 179.774 177.584 -0.003 0.000 1.186 557 A CA 1.175 53.208 52.037 -0.007 0.000 0.620 557 A CB -0.654 18.345 19.000 -0.002 0.000 0.822 557 A HN 0.134 nan 8.150 nan 0.000 0.443 558 I N -0.202 120.366 120.570 -0.003 0.000 2.127 558 I HA -0.293 3.884 4.170 0.012 0.000 0.241 558 I C 2.280 178.400 176.117 0.006 0.000 1.075 558 I CA 1.633 62.936 61.300 0.005 0.000 1.334 558 I CB -0.442 37.564 38.000 0.010 0.000 1.040 558 I HN 0.296 nan 8.210 nan 0.000 0.405 559 I N 0.886 121.449 120.570 -0.012 0.000 2.423 559 I HA -0.271 3.906 4.170 0.012 0.000 0.254 559 I C 2.592 178.721 176.117 0.021 0.000 1.151 559 I CA 1.223 62.522 61.300 -0.002 0.000 1.421 559 I CB -0.446 37.521 38.000 -0.055 0.000 1.079 559 I HN 0.216 nan 8.210 nan 0.000 0.431 560 A N 0.307 123.133 122.820 0.011 0.000 2.119 560 A HA -0.022 4.306 4.320 0.012 0.000 0.216 560 A C 1.442 179.035 177.584 0.016 0.000 1.152 560 A CA 0.879 52.925 52.037 0.016 0.000 0.708 560 A CB -0.838 18.168 19.000 0.009 0.000 0.805 560 A HN 0.485 nan 8.150 nan 0.000 0.460 561 T N 0.164 114.728 114.554 0.016 0.000 2.802 561 T HA 0.304 4.661 4.350 0.012 0.000 0.305 561 T C 0.106 174.818 174.700 0.020 0.000 1.053 561 T CA -0.191 61.918 62.100 0.014 0.000 1.058 561 T CB 0.417 69.294 68.868 0.015 0.000 0.988 561 T HN 0.484 nan 8.240 nan 0.000 0.539 562 D N 1.295 121.702 120.400 0.012 0.000 2.360 562 D HA 0.104 4.752 4.640 0.012 0.000 0.242 562 D C -1.896 174.420 176.300 0.027 0.000 1.184 562 D CA -1.663 52.345 54.000 0.012 0.000 0.930 562 D CB 0.404 41.200 40.800 -0.005 0.000 1.161 562 D HN 0.210 nan 8.370 nan 0.000 0.447 563 P HA -0.067 nan 4.420 nan 0.000 0.216 563 P C 1.395 178.717 177.300 0.036 0.000 1.150 563 P CA 1.004 64.135 63.100 0.052 0.000 0.837 563 P CB 0.114 31.846 31.700 0.055 0.000 0.786 564 L N -1.847 119.385 121.223 0.015 0.000 2.591 564 L HA 0.061 4.408 4.340 0.012 0.000 0.228 564 L C 1.148 178.019 176.870 0.002 0.000 1.133 564 L CA -0.028 54.812 54.840 -0.001 0.000 0.880 564 L CB -0.705 41.346 42.059 -0.014 0.000 1.033 564 L HN 0.041 nan 8.230 nan 0.000 0.450 565 N N 2.114 120.820 118.700 0.010 0.000 2.420 565 N HA 0.125 4.872 4.740 0.012 0.000 0.262 565 N C -2.312 173.209 175.510 0.019 0.000 1.144 565 N CA -1.282 51.775 53.050 0.012 0.000 0.952 565 N CB 1.055 39.549 38.487 0.011 0.000 1.081 565 N HN -0.105 nan 8.380 nan 0.000 0.480 566 P HA 0.063 nan 4.420 nan 0.000 0.264 566 P C -0.436 176.877 177.300 0.022 0.000 1.193 566 P CA 0.164 63.277 63.100 0.022 0.000 0.763 566 P CB 0.668 32.381 31.700 0.022 0.000 0.810 567 L N 2.796 124.034 121.223 0.025 0.000 2.305 567 L HA 0.305 4.652 4.340 0.012 0.000 0.281 567 L C 1.355 178.235 176.870 0.016 0.000 1.085 567 L CA -0.394 54.460 54.840 0.023 0.000 0.813 567 L CB 0.830 42.906 42.059 0.029 0.000 1.157 567 L HN 0.442 nan 8.230 nan 0.000 0.436 568 T N -0.417 114.144 114.554 0.013 0.000 2.824 568 T HA 0.399 4.756 4.350 0.012 0.000 0.277 568 T C 1.205 175.906 174.700 0.001 0.000 0.975 568 T CA -0.126 61.978 62.100 0.007 0.000 0.966 568 T CB 1.575 70.447 68.868 0.007 0.000 1.054 568 T HN 0.607 nan 8.240 nan 0.000 0.533 569 A N 0.437 123.254 122.820 -0.006 0.000 1.908 569 A HA -0.096 4.231 4.320 0.012 0.000 0.218 569 A C 2.252 179.828 177.584 -0.014 0.000 1.181 569 A CA 1.841 53.869 52.037 -0.016 0.000 0.627 569 A CB -1.135 17.853 19.000 -0.021 0.000 0.818 569 A HN 0.979 nan 8.150 nan 0.000 0.445 570 E N -0.082 120.113 120.200 -0.009 0.000 2.058 570 E HA -0.207 4.150 4.350 0.012 0.000 0.194 570 E C 1.585 178.188 176.600 0.005 0.000 0.997 570 E CA 1.225 57.621 56.400 -0.006 0.000 0.801 570 E CB -0.295 29.404 29.700 -0.002 0.000 0.746 570 E HN 0.567 nan 8.360 nan 0.000 0.450 571 D N 0.978 121.385 120.400 0.012 0.000 2.104 571 D HA -0.166 4.481 4.640 0.012 0.000 0.194 571 D C 1.812 178.128 176.300 0.028 0.000 0.994 571 D CA 1.249 55.263 54.000 0.023 0.000 0.830 571 D CB -0.185 40.628 40.800 0.022 0.000 0.959 571 D HN 0.134 nan 8.370 nan 0.000 0.452 572 K N 0.634 121.045 120.400 0.017 0.000 2.057 572 K HA -0.125 4.202 4.320 0.012 0.000 0.207 572 K C 2.149 178.774 176.600 0.041 0.000 1.049 572 K CA 0.984 57.282 56.287 0.018 0.000 0.931 572 K CB -0.082 32.409 32.500 -0.015 0.000 0.714 572 K HN 0.232 nan 8.250 nan 0.000 0.440 573 E N 0.624 120.836 120.200 0.019 0.000 2.150 573 E HA -0.182 4.176 4.350 0.012 0.000 0.193 573 E C 1.935 178.552 176.600 0.029 0.000 0.985 573 E CA 0.649 57.066 56.400 0.028 0.000 0.814 573 E CB 0.010 29.695 29.700 -0.025 0.000 0.752 573 E HN 0.114 nan 8.360 nan 0.000 0.466 574 L N 0.650 121.887 121.223 0.022 0.000 2.044 574 L HA -0.104 4.243 4.340 0.012 0.000 0.205 574 L C 2.049 178.968 176.870 0.083 0.000 1.075 574 L CA 1.300 56.160 54.840 0.034 0.000 0.747 574 L CB -0.216 41.903 42.059 0.100 0.000 0.903 574 L HN 0.099 nan 8.230 nan 0.000 0.435 575 L N -1.546 119.730 121.223 0.088 0.000 2.013 575 L HA -0.305 4.042 4.340 0.012 0.000 0.212 575 L C 2.470 179.378 176.870 0.063 0.000 1.073 575 L CA 2.007 56.889 54.840 0.069 0.000 0.753 575 L CB -0.741 41.344 42.059 0.043 0.000 0.890 575 L HN 0.577 nan 8.230 nan 0.000 0.432 576 W N 0.234 121.469 121.300 -0.107 0.000 2.378 576 W HA -0.230 4.437 4.660 0.012 0.000 0.313 576 W C 2.602 179.047 176.519 -0.124 0.000 1.197 576 W CA 1.711 58.971 57.345 -0.141 0.000 1.304 576 W CB -0.475 28.901 29.460 -0.139 0.000 1.148 576 W HN 0.302 nan 8.180 nan 0.000 0.494 577 H N -0.803 118.118 119.070 -0.248 0.000 2.422 577 H HA -0.167 4.396 4.556 0.012 0.000 0.298 577 H C 0.291 175.327 175.328 -0.488 0.000 1.098 577 H CA 1.455 57.220 56.048 -0.471 0.000 1.315 577 H CB -0.664 28.756 29.762 -0.571 0.000 1.382 577 H HN 0.058 nan 8.280 nan 0.000 0.523 578 F N 1.455 121.309 119.950 -0.161 0.000 2.942 578 F HA 0.209 4.743 4.527 0.012 0.000 0.324 578 F C 1.660 177.331 175.800 -0.214 0.000 1.265 578 F CA -0.693 57.199 58.000 -0.179 0.000 1.255 578 F CB 0.314 39.270 39.000 -0.073 0.000 1.048 578 F HN 0.112 nan 8.300 nan 0.000 0.512 579 R N -1.266 119.095 120.500 -0.231 0.000 2.148 579 R HA -0.120 4.227 4.340 0.012 0.000 0.223 579 R C 0.854 176.928 176.300 -0.377 0.000 1.088 579 R CA 1.364 57.224 56.100 -0.400 0.000 0.985 579 R CB -0.654 29.195 30.300 -0.753 0.000 0.880 579 R HN 0.357 nan 8.270 nan 0.000 0.451 580 Y N 1.100 121.293 120.300 -0.179 0.000 2.395 580 Y HA -0.047 4.511 4.550 0.012 0.000 0.293 580 Y C 2.360 178.228 175.900 -0.053 0.000 1.123 580 Y CA 1.174 59.205 58.100 -0.115 0.000 1.227 580 Y CB 0.130 38.524 38.460 -0.109 0.000 1.012 580 Y HN 0.169 nan 8.280 nan 0.000 0.552 581 E N -0.252 120.002 120.200 0.091 0.000 2.122 581 E HA -0.086 4.271 4.350 0.012 0.000 0.190 581 E C 2.124 178.773 176.600 0.081 0.000 0.977 581 E CA 1.241 57.681 56.400 0.067 0.000 0.820 581 E CB -0.144 29.547 29.700 -0.014 0.000 0.770 581 E HN 0.113 nan 8.360 nan 0.000 0.462 582 S N 0.253 115.950 115.700 -0.005 0.000 2.419 582 S HA -0.106 4.371 4.470 0.012 0.000 0.233 582 S C 1.597 176.183 174.600 -0.024 0.000 1.016 582 S CA 0.701 58.871 58.200 -0.050 0.000 0.974 582 S CB -0.238 62.881 63.200 -0.135 0.000 0.786 582 S HN 0.240 nan 8.310 nan 0.000 0.492 583 L N 1.610 122.788 121.223 -0.075 0.000 2.376 583 L HA 0.078 4.426 4.340 0.012 0.000 0.219 583 L C 1.645 178.640 176.870 0.208 0.000 1.133 583 L CA 1.430 56.219 54.840 -0.084 0.000 0.816 583 L CB -0.295 41.700 42.059 -0.106 0.000 0.933 583 L HN 0.099 nan 8.230 nan 0.000 0.449 584 K N -1.362 119.173 120.400 0.225 0.000 2.486 584 K HA 0.010 4.337 4.320 0.012 0.000 0.194 584 K C -0.410 176.218 176.600 0.047 0.000 1.033 584 K CA 0.307 56.686 56.287 0.152 0.000 1.004 584 K CB -0.086 32.459 32.500 0.076 0.000 0.798 584 K HN 0.373 nan 8.250 nan 0.000 0.495 585 H N -0.357 118.826 119.070 0.188 0.000 2.718 585 H HA 0.157 4.720 4.556 0.012 0.000 0.295 585 H C -2.099 173.453 175.328 0.374 0.000 1.051 585 H CA -2.361 53.804 56.048 0.196 0.000 1.260 585 H CB 1.352 31.184 29.762 0.116 0.000 1.403 585 H HN -0.135 nan 8.280 nan 0.000 0.488 586 P HA -0.186 nan 4.420 nan 0.000 0.216 586 P C 0.843 178.394 177.300 0.418 0.000 1.150 586 P CA 1.420 64.728 63.100 0.346 0.000 0.843 586 P CB 0.362 32.078 31.700 0.027 0.000 0.787 587 K N -1.001 119.574 120.400 0.292 0.000 2.504 587 K HA 0.095 4.422 4.320 0.012 0.000 0.195 587 K C 1.670 178.421 176.600 0.252 0.000 1.036 587 K CA 0.778 57.203 56.287 0.230 0.000 0.984 587 K CB -0.182 32.405 32.500 0.146 0.000 0.788 587 K HN 0.090 nan 8.250 nan 0.000 0.488 588 A N -0.281 122.731 122.820 0.320 0.000 2.267 588 A HA 0.051 4.378 4.320 0.012 0.000 0.213 588 A C 1.179 178.857 177.584 0.157 0.000 1.192 588 A CA 0.040 52.188 52.037 0.185 0.000 0.851 588 A CB -0.136 18.919 19.000 0.092 0.000 0.881 588 A HN 0.146 nan 8.150 nan 0.000 0.494 589 Y N 0.955 121.314 120.300 0.098 0.000 2.097 589 Y HA -0.118 4.439 4.550 0.012 0.000 0.282 589 Y C -0.261 175.746 175.900 0.179 0.000 1.152 589 Y CA 2.314 60.450 58.100 0.060 0.000 1.136 589 Y CB -1.664 36.903 38.460 0.178 0.000 0.975 589 Y HN 0.268 nan 8.280 nan 0.000 0.498 590 P HA -0.193 nan 4.420 nan 0.000 0.215 590 P C 1.169 178.737 177.300 0.446 0.000 1.157 590 P CA 2.358 65.694 63.100 0.392 0.000 0.874 590 P CB -0.028 31.855 31.700 0.306 0.000 0.790 591 K N -1.042 119.510 120.400 0.253 0.000 2.057 591 K HA -0.108 4.220 4.320 0.012 0.000 0.206 591 K C 2.004 178.668 176.600 0.107 0.000 1.050 591 K CA 0.958 57.346 56.287 0.169 0.000 0.935 591 K CB -0.909 31.651 32.500 0.101 0.000 0.715 591 K HN 0.052 nan 8.250 nan 0.000 0.439 592 L N 0.529 121.741 121.223 -0.019 0.000 2.083 592 L HA -0.090 4.258 4.340 0.012 0.000 0.209 592 L C 1.567 178.349 176.870 -0.146 0.000 1.083 592 L CA 1.701 56.422 54.840 -0.199 0.000 0.752 592 L CB -0.389 41.348 42.059 -0.536 0.000 0.899 592 L HN 0.067 nan 8.230 nan 0.000 0.433 593 F N -1.252 118.833 119.950 0.226 0.000 2.811 593 F HA 0.058 4.593 4.527 0.012 0.000 0.301 593 F C 2.094 178.185 175.800 0.485 0.000 1.151 593 F CA 0.433 58.663 58.000 0.382 0.000 1.412 593 F CB -0.152 39.142 39.000 0.490 0.000 1.113 593 F HN 0.025 nan 8.300 nan 0.000 0.579 594 S N -1.290 114.678 115.700 0.445 0.000 2.524 594 S HA -0.038 4.439 4.470 0.012 0.000 0.216 594 S C 1.844 176.517 174.600 0.122 0.000 0.987 594 S CA 0.384 58.738 58.200 0.256 0.000 0.909 594 S CB 0.030 63.320 63.200 0.150 0.000 0.781 594 S HN 0.159 nan 8.310 nan 0.000 0.521 595 S N 1.175 116.916 115.700 0.068 0.000 2.558 595 S HA 0.161 4.638 4.470 0.012 0.000 0.217 595 S C 0.590 175.041 174.600 -0.247 0.000 0.975 595 S CA -0.026 58.150 58.200 -0.041 0.000 0.912 595 S CB 0.100 63.313 63.200 0.021 0.000 0.776 595 S HN 0.202 nan 8.310 nan 0.000 0.526 596 V N 3.137 122.859 119.914 -0.321 0.000 2.555 596 V HA 0.112 4.239 4.120 0.012 0.000 0.286 596 V C 0.362 175.945 176.094 -0.852 0.000 1.044 596 V CA -0.171 61.626 62.300 -0.837 0.000 1.026 596 V CB 0.828 31.953 31.823 -1.163 0.000 0.981 596 V HN 0.237 nan 8.190 nan 0.000 0.480 597 K N 5.145 125.037 120.400 -0.847 0.000 2.183 597 K HA 0.118 4.445 4.320 0.012 0.000 0.272 597 K C 0.028 176.314 176.600 -0.523 0.000 1.113 597 K CA 0.043 56.005 56.287 -0.541 0.000 0.949 597 K CB 0.283 32.517 32.500 -0.443 0.000 1.365 597 K HN 0.706 nan 8.250 nan 0.000 0.420 598 W N 0.963 122.091 121.300 -0.287 0.000 2.825 598 W HA 0.002 4.670 4.660 0.012 0.000 0.243 598 W C 1.736 178.052 176.519 -0.337 0.000 1.293 598 W CA -0.135 56.990 57.345 -0.367 0.000 1.403 598 W CB 0.170 29.264 29.460 -0.609 0.000 1.134 598 W HN 0.639 nan 8.180 nan 0.000 0.666 599 G N -0.098 108.644 108.800 -0.096 0.000 3.026 599 G HA2 0.045 4.012 3.960 0.012 0.000 0.208 599 G HA3 0.045 4.012 3.960 0.012 0.000 0.208 599 G C 0.298 175.127 174.900 -0.118 0.000 1.169 599 G CA -0.159 44.885 45.100 -0.095 0.000 0.788 599 G HN 0.195 nan 8.290 nan 0.000 0.533 600 Q N -0.600 119.099 119.800 -0.169 0.000 2.304 600 Q HA 0.265 4.612 4.340 0.012 0.000 0.270 600 Q C 0.376 176.244 176.000 -0.220 0.000 1.035 600 Q CA -0.733 54.959 55.803 -0.184 0.000 0.781 600 Q CB 2.139 30.753 28.738 -0.206 0.000 1.261 600 Q HN 0.043 nan 8.270 nan 0.000 0.444 601 Q N 1.900 121.561 119.800 -0.232 0.000 2.050 601 Q HA -0.227 4.120 4.340 0.012 0.000 0.202 601 Q C 0.805 176.592 176.000 -0.355 0.000 0.980 601 Q CA 2.218 57.819 55.803 -0.338 0.000 0.840 601 Q CB 0.307 28.729 28.738 -0.528 0.000 0.898 601 Q HN 0.646 nan 8.270 nan 0.000 0.424 602 E N -0.013 120.014 120.200 -0.289 0.000 2.097 602 E HA -0.177 4.180 4.350 0.012 0.000 0.196 602 E C 1.827 178.327 176.600 -0.167 0.000 1.000 602 E CA 1.449 57.719 56.400 -0.217 0.000 0.804 602 E CB -0.315 29.296 29.700 -0.149 0.000 0.740 602 E HN 0.349 nan 8.360 nan 0.000 0.454 603 I N 0.296 120.743 120.570 -0.206 0.000 2.202 603 I HA -0.181 3.996 4.170 0.012 0.000 0.242 603 I C 2.256 178.216 176.117 -0.262 0.000 1.091 603 I CA 0.863 62.025 61.300 -0.230 0.000 1.368 603 I CB -1.110 36.599 38.000 -0.485 0.000 1.058 603 I HN 0.013 nan 8.210 nan 0.000 0.410 604 V N 1.648 121.347 119.914 -0.358 0.000 2.380 604 V HA -0.308 3.819 4.120 0.012 0.000 0.251 604 V C 2.862 178.711 176.094 -0.408 0.000 1.063 604 V CA 1.892 63.947 62.300 -0.409 0.000 1.055 604 V CB -1.220 30.417 31.823 -0.310 0.000 0.657 604 V HN 0.471 nan 8.190 nan 0.000 0.455 605 A N -0.149 122.502 122.820 -0.281 0.000 1.865 605 A HA -0.265 4.062 4.320 0.012 0.000 0.217 605 A C 2.284 179.866 177.584 -0.003 0.000 1.191 605 A CA 2.123 54.071 52.037 -0.148 0.000 0.623 605 A CB -0.494 18.415 19.000 -0.152 0.000 0.826 605 A HN 0.552 nan 8.150 nan 0.000 0.444 606 K N -0.858 119.558 120.400 0.026 0.000 2.152 606 K HA -0.106 4.221 4.320 0.012 0.000 0.206 606 K C 2.021 178.707 176.600 0.144 0.000 1.048 606 K CA 1.689 58.041 56.287 0.107 0.000 0.933 606 K CB -0.392 32.217 32.500 0.182 0.000 0.721 606 K HN 0.506 nan 8.250 nan 0.000 0.447 607 T N 0.428 115.085 114.554 0.171 0.000 2.777 607 T HA -0.119 4.239 4.350 0.012 0.000 0.266 607 T C 1.609 176.528 174.700 0.365 0.000 1.040 607 T CA 1.061 63.305 62.100 0.240 0.000 1.141 607 T CB -0.273 68.650 68.868 0.092 0.000 0.868 607 T HN 0.320 nan 8.240 nan 0.000 0.444 608 Y N 1.496 121.884 120.300 0.147 0.000 2.314 608 Y HA -0.120 4.437 4.550 0.012 0.000 0.293 608 Y C 2.920 178.889 175.900 0.114 0.000 1.129 608 Y CA 0.286 58.472 58.100 0.142 0.000 1.201 608 Y CB -0.137 38.416 38.460 0.156 0.000 0.999 608 Y HN 0.316 nan 8.280 nan 0.000 0.541 609 Q N 0.322 120.279 119.800 0.261 0.000 2.084 609 Q HA -0.211 4.136 4.340 0.012 0.000 0.202 609 Q C 2.330 178.418 176.000 0.147 0.000 0.978 609 Q CA 1.258 57.168 55.803 0.178 0.000 0.844 609 Q CB -0.167 28.658 28.738 0.146 0.000 0.898 609 Q HN 0.534 nan 8.270 nan 0.000 0.426 610 L N 0.520 121.800 121.223 0.095 0.000 2.017 610 L HA -0.214 4.134 4.340 0.012 0.000 0.208 610 L C 2.225 179.148 176.870 0.089 0.000 1.073 610 L CA 1.139 55.970 54.840 -0.016 0.000 0.745 610 L CB -0.204 41.768 42.059 -0.146 0.000 0.894 610 L HN 0.310 nan 8.230 nan 0.000 0.432 611 L N -0.659 120.664 121.223 0.166 0.000 2.191 611 L HA -0.177 4.170 4.340 0.012 0.000 0.212 611 L C 2.584 179.524 176.870 0.116 0.000 1.103 611 L CA 0.855 55.787 54.840 0.153 0.000 0.769 611 L CB -0.610 41.519 42.059 0.115 0.000 0.908 611 L HN 0.276 nan 8.230 nan 0.000 0.438 612 A N -0.048 122.843 122.820 0.118 0.000 2.216 612 A HA -0.091 4.236 4.320 0.012 0.000 0.214 612 A C 1.655 179.308 177.584 0.114 0.000 1.160 612 A CA 0.768 52.867 52.037 0.104 0.000 0.725 612 A CB -0.345 18.719 19.000 0.107 0.000 0.784 612 A HN 0.368 nan 8.150 nan 0.000 0.472 613 R N 0.043 120.623 120.500 0.134 0.000 3.311 613 R HA 0.191 4.538 4.340 0.012 0.000 0.332 613 R C -0.461 175.940 176.300 0.168 0.000 1.317 613 R CA -0.200 55.988 56.100 0.146 0.000 1.192 613 R CB 0.202 30.607 30.300 0.176 0.000 1.454 613 R HN 0.247 nan 8.270 nan 0.000 0.605 614 R N 0.852 121.456 120.500 0.174 0.000 2.891 614 R HA 0.037 4.384 4.340 0.012 0.000 0.248 614 R C 0.078 176.503 176.300 0.208 0.000 1.439 614 R CA 0.003 56.244 56.100 0.235 0.000 1.288 614 R CB 0.483 30.925 30.300 0.237 0.000 1.212 614 R HN 0.226 nan 8.270 nan 0.000 0.605 615 E N 0.166 120.478 120.200 0.187 0.000 2.175 615 E HA -0.047 4.310 4.350 0.012 0.000 0.195 615 E C 1.636 178.314 176.600 0.129 0.000 0.934 615 E CA 0.505 56.985 56.400 0.134 0.000 0.870 615 E CB 0.327 30.087 29.700 0.100 0.000 0.838 615 E HN 0.176 nan 8.360 nan 0.000 0.474 616 V N 1.117 121.129 119.914 0.164 0.000 2.427 616 V HA -0.194 3.934 4.120 0.012 0.000 0.248 616 V C 1.914 178.086 176.094 0.129 0.000 1.051 616 V CA 1.533 63.912 62.300 0.133 0.000 1.048 616 V CB -0.557 31.365 31.823 0.164 0.000 0.666 616 V HN 0.494 nan 8.190 nan 0.000 0.456 617 W N 1.499 122.808 121.300 0.015 0.000 2.381 617 W HA -0.155 4.512 4.660 0.012 0.000 0.301 617 W C 1.997 178.466 176.519 -0.084 0.000 1.205 617 W CA 1.901 59.174 57.345 -0.121 0.000 1.285 617 W CB -0.237 29.119 29.460 -0.174 0.000 1.133 617 W HN 0.344 nan 8.180 nan 0.000 0.521 618 D N 0.196 120.667 120.400 0.119 0.000 2.144 618 D HA -0.205 4.442 4.640 0.012 0.000 0.199 618 D C 2.061 178.308 176.300 -0.088 0.000 0.984 618 D CA 1.698 55.708 54.000 0.016 0.000 0.834 618 D CB -0.577 40.282 40.800 0.099 0.000 0.955 618 D HN 0.389 nan 8.370 nan 0.000 0.465 619 Q N 0.269 120.033 119.800 -0.061 0.000 2.424 619 Q HA 0.054 4.402 4.340 0.012 0.000 0.204 619 Q C 0.602 176.529 176.000 -0.121 0.000 0.933 619 Q CA -0.042 55.719 55.803 -0.070 0.000 0.929 619 Q CB 0.348 29.069 28.738 -0.028 0.000 1.037 619 Q HN 0.159 nan 8.270 nan 0.000 0.511 620 S N 0.281 115.867 115.700 -0.190 0.000 2.579 620 S HA 0.425 4.902 4.470 0.012 0.000 0.275 620 S C 0.259 174.702 174.600 -0.262 0.000 1.345 620 S CA -0.585 57.476 58.200 -0.232 0.000 1.031 620 S CB 1.111 64.122 63.200 -0.316 0.000 0.892 620 S HN 0.237 nan 8.310 nan 0.000 0.529 621 A N 1.985 124.683 122.820 -0.205 0.000 2.386 621 A HA 0.460 4.787 4.320 0.012 0.000 0.248 621 A C 0.151 177.594 177.584 -0.235 0.000 1.082 621 A CA -0.680 51.250 52.037 -0.178 0.000 0.789 621 A CB -0.129 18.799 19.000 -0.120 0.000 1.025 621 A HN 1.089 nan 8.150 nan 0.000 0.490 622 L N 1.616 122.722 121.223 -0.195 0.000 2.534 622 L HA 0.193 4.540 4.340 0.012 0.000 0.271 622 L C -0.298 176.470 176.870 -0.170 0.000 1.178 622 L CA 0.536 55.251 54.840 -0.208 0.000 0.907 622 L CB 0.140 42.118 42.059 -0.135 0.000 1.164 622 L HN 0.623 nan 8.230 nan 0.000 0.482 623 D N 4.323 124.600 120.400 -0.206 0.000 2.462 623 D HA 0.124 4.771 4.640 0.012 0.000 0.249 623 D C 1.047 177.268 176.300 -0.132 0.000 1.117 623 D CA -0.280 53.635 54.000 -0.141 0.000 0.900 623 D CB 1.223 41.942 40.800 -0.135 0.000 1.039 623 D HN 0.425 nan 8.370 nan 0.000 0.516 624 V N 3.658 123.487 119.914 -0.141 0.000 2.282 624 V HA -0.231 3.896 4.120 0.012 0.000 0.249 624 V C 2.534 178.522 176.094 -0.176 0.000 1.057 624 V CA 2.464 64.629 62.300 -0.226 0.000 1.032 624 V CB -0.619 30.952 31.823 -0.419 0.000 0.645 624 V HN 0.678 nan 8.190 nan 0.000 0.447 625 G N -0.416 108.320 108.800 -0.106 0.000 2.469 625 G HA2 -0.291 3.676 3.960 0.012 0.000 0.219 625 G HA3 -0.291 3.676 3.960 0.012 0.000 0.219 625 G C 1.573 176.462 174.900 -0.019 0.000 1.150 625 G CA 1.299 46.370 45.100 -0.047 0.000 0.763 625 G HN 0.460 nan 8.290 nan 0.000 0.561 626 L N 0.873 122.088 121.223 -0.013 0.000 2.056 626 L HA 0.050 4.398 4.340 0.012 0.000 0.207 626 L C 2.871 179.777 176.870 0.061 0.000 1.078 626 L CA 2.526 57.390 54.840 0.041 0.000 0.749 626 L CB -0.878 41.205 42.059 0.040 0.000 0.901 626 L HN 0.184 nan 8.230 nan 0.000 0.433 627 T N -0.480 114.079 114.554 0.008 0.000 2.821 627 T HA -0.121 4.236 4.350 0.012 0.000 0.267 627 T C 1.924 176.610 174.700 -0.024 0.000 1.046 627 T CA 1.461 63.573 62.100 0.019 0.000 1.139 627 T CB -0.166 68.668 68.868 -0.056 0.000 0.871 627 T HN 0.202 nan 8.240 nan 0.000 0.454 628 M N 1.381 120.953 119.600 -0.047 0.000 2.229 628 M HA -0.037 4.451 4.480 0.012 0.000 0.264 628 M C 2.293 178.597 176.300 0.006 0.000 1.063 628 M CA 1.333 56.616 55.300 -0.029 0.000 1.114 628 M CB -1.045 31.530 32.600 -0.042 0.000 1.387 628 M HN 0.376 nan 8.290 nan 0.000 0.420 629 Q N 0.103 119.913 119.800 0.017 0.000 2.170 629 Q HA -0.087 4.260 4.340 0.012 0.000 0.203 629 Q C 1.945 177.951 176.000 0.010 0.000 0.976 629 Q CA 1.003 56.843 55.803 0.061 0.000 0.858 629 Q CB -0.191 28.604 28.738 0.095 0.000 0.907 629 Q HN 0.506 nan 8.270 nan 0.000 0.433 630 L N 0.081 121.199 121.223 -0.176 0.000 2.552 630 L HA -0.021 4.326 4.340 0.012 0.000 0.227 630 L C 1.516 178.245 176.870 -0.235 0.000 1.146 630 L CA 0.329 54.850 54.840 -0.531 0.000 0.858 630 L CB 0.068 41.861 42.059 -0.444 0.000 0.969 630 L HN 0.214 nan 8.230 nan 0.000 0.451 631 L N -0.581 120.617 121.223 -0.041 0.000 2.693 631 L HA 0.110 4.457 4.340 0.012 0.000 0.235 631 L C 0.567 177.501 176.870 0.107 0.000 1.127 631 L CA -0.447 54.420 54.840 0.046 0.000 0.914 631 L CB -0.170 41.919 42.059 0.051 0.000 1.193 631 L HN 0.271 nan 8.230 nan 0.000 0.502 632 D N -0.866 119.547 120.400 0.021 0.000 2.469 632 D HA -0.036 4.612 4.640 0.012 0.000 0.278 632 D C 1.486 177.420 176.300 -0.611 0.000 1.231 632 D CA -0.290 53.468 54.000 -0.403 0.000 1.075 632 D CB 0.249 40.868 40.800 -0.301 0.000 1.121 632 D HN 0.131 nan 8.370 nan 0.000 0.571 633 C N -1.738 116.892 119.300 -1.118 0.000 2.449 633 C HA 0.070 4.538 4.460 0.012 0.000 0.283 633 C C 1.347 176.133 174.990 -0.341 0.000 1.453 633 C CA -0.026 58.598 59.018 -0.657 0.000 1.779 633 C CB -1.975 25.463 27.740 -0.504 0.000 1.779 633 C HN 0.505 nan 8.230 nan 0.000 0.546 634 N N -0.623 117.863 118.700 -0.356 0.000 2.398 634 N HA 0.238 4.985 4.740 0.012 0.000 0.188 634 N C -0.781 174.168 175.510 -0.935 0.000 1.122 634 N CA 0.326 53.029 53.050 -0.578 0.000 0.866 634 N CB 0.054 38.138 38.487 -0.671 0.000 0.970 634 N HN 0.557 nan 8.380 nan 0.000 0.462 635 F N -0.884 118.957 119.950 -0.181 0.000 2.612 635 F HA 0.329 4.863 4.527 0.012 0.000 0.332 635 F C 0.415 176.031 175.800 -0.306 0.000 1.167 635 F CA -0.822 57.046 58.000 -0.221 0.000 0.970 635 F CB 1.827 40.745 39.000 -0.138 0.000 1.234 635 F HN -0.175 nan 8.300 nan 0.000 0.453 636 S N 0.153 115.614 115.700 -0.397 0.000 2.540 636 S HA -0.012 4.465 4.470 0.012 0.000 0.218 636 S C -0.029 174.347 174.600 -0.373 0.000 0.977 636 S CA -0.257 57.655 58.200 -0.480 0.000 0.918 636 S CB -0.177 62.500 63.200 -0.872 0.000 0.806 636 S HN 0.667 nan 8.310 nan 0.000 0.496 637 D N 2.240 122.429 120.400 -0.351 0.000 2.317 637 D HA 0.089 4.736 4.640 0.012 0.000 0.252 637 D C 1.270 177.530 176.300 -0.067 0.000 1.174 637 D CA -0.140 53.747 54.000 -0.188 0.000 0.866 637 D CB 0.755 41.325 40.800 -0.383 0.000 1.127 637 D HN 0.351 nan 8.370 nan 0.000 0.467 638 E N 2.548 122.752 120.200 0.006 0.000 2.204 638 E HA -0.230 4.127 4.350 0.012 0.000 0.194 638 E C 0.820 177.392 176.600 -0.046 0.000 0.989 638 E CA 0.669 57.068 56.400 -0.001 0.000 0.824 638 E CB -0.004 29.713 29.700 0.028 0.000 0.756 638 E HN 0.342 nan 8.360 nan 0.000 0.477 639 N N 1.083 119.745 118.700 -0.062 0.000 2.106 639 N HA -0.100 4.648 4.740 0.012 0.000 0.188 639 N C 1.911 177.309 175.510 -0.186 0.000 1.029 639 N CA 1.328 54.280 53.050 -0.164 0.000 0.848 639 N CB -0.425 37.838 38.487 -0.373 0.000 1.007 639 N HN 0.044 nan 8.380 nan 0.000 0.423 640 V N 1.505 121.305 119.914 -0.190 0.000 2.255 640 V HA -0.223 3.905 4.120 0.012 0.000 0.247 640 V C 2.176 178.069 176.094 -0.335 0.000 1.051 640 V CA 1.667 63.728 62.300 -0.398 0.000 1.018 640 V CB -0.402 31.189 31.823 -0.386 0.000 0.641 640 V HN 0.298 nan 8.190 nan 0.000 0.445 641 R N 0.112 120.490 120.500 -0.204 0.000 2.115 641 R HA -0.063 4.285 4.340 0.012 0.000 0.230 641 R C 2.365 178.597 176.300 -0.113 0.000 1.111 641 R CA 1.264 57.276 56.100 -0.147 0.000 0.976 641 R CB -0.545 29.716 30.300 -0.066 0.000 0.870 641 R HN 0.545 nan 8.270 nan 0.000 0.445 642 A N 2.031 124.789 122.820 -0.103 0.000 1.930 642 A HA -0.127 4.200 4.320 0.012 0.000 0.217 642 A C 2.208 179.759 177.584 -0.055 0.000 1.175 642 A CA 1.323 53.322 52.037 -0.064 0.000 0.627 642 A CB -0.600 18.368 19.000 -0.053 0.000 0.815 642 A HN 0.482 nan 8.150 nan 0.000 0.443 643 I N -3.104 117.401 120.570 -0.108 0.000 2.614 643 I HA 0.002 4.179 4.170 0.012 0.000 0.258 643 I C 2.196 178.395 176.117 0.137 0.000 1.189 643 I CA 1.241 62.514 61.300 -0.045 0.000 1.462 643 I CB -0.315 37.472 38.000 -0.355 0.000 1.092 643 I HN 0.178 nan 8.210 nan 0.000 0.442 644 A N 1.709 124.536 122.820 0.011 0.000 1.854 644 A HA -0.037 4.291 4.320 0.012 0.000 0.214 644 A C 2.327 179.900 177.584 -0.018 0.000 1.192 644 A CA 1.807 53.889 52.037 0.075 0.000 0.611 644 A CB -1.104 17.870 19.000 -0.044 0.000 0.832 644 A HN 0.312 nan 8.150 nan 0.000 0.442 645 V N 0.801 120.659 119.914 -0.094 0.000 2.568 645 V HA -0.322 3.805 4.120 0.012 0.000 0.253 645 V C 2.658 178.641 176.094 -0.185 0.000 1.072 645 V CA 2.230 64.398 62.300 -0.221 0.000 1.084 645 V CB -0.989 30.742 31.823 -0.155 0.000 0.676 645 V HN 0.773 nan 8.190 nan 0.000 0.469 646 Q N 0.231 120.012 119.800 -0.032 0.000 2.050 646 Q HA -0.241 4.106 4.340 0.012 0.000 0.202 646 Q C 2.241 178.240 176.000 -0.001 0.000 0.980 646 Q CA 1.517 57.337 55.803 0.028 0.000 0.840 646 Q CB -0.017 28.794 28.738 0.122 0.000 0.898 646 Q HN 0.451 nan 8.270 nan 0.000 0.424 647 K N 0.559 120.960 120.400 0.000 0.000 2.211 647 K HA -0.058 4.269 4.320 0.012 0.000 0.203 647 K C 2.113 178.647 176.600 -0.109 0.000 1.050 647 K CA 0.656 56.886 56.287 -0.094 0.000 0.945 647 K CB -0.219 32.173 32.500 -0.181 0.000 0.732 647 K HN 0.356 nan 8.250 nan 0.000 0.451 648 L N 1.193 122.311 121.223 -0.174 0.000 2.201 648 L HA -0.115 4.232 4.340 0.012 0.000 0.212 648 L C 2.080 178.919 176.870 -0.052 0.000 1.105 648 L CA 0.814 55.514 54.840 -0.234 0.000 0.775 648 L CB -0.379 41.311 42.059 -0.615 0.000 0.913 648 L HN 0.127 nan 8.230 nan 0.000 0.440 649 E N 0.312 120.512 120.200 -0.001 0.000 2.219 649 E HA -0.194 4.163 4.350 0.012 0.000 0.198 649 E C 2.139 178.846 176.600 0.179 0.000 0.998 649 E CA 1.607 58.152 56.400 0.240 0.000 0.818 649 E CB -0.134 29.663 29.700 0.162 0.000 0.741 649 E HN 0.560 nan 8.360 nan 0.000 0.477 650 S N -0.127 115.625 115.700 0.087 0.000 2.593 650 S HA 0.095 4.573 4.470 0.012 0.000 0.217 650 S C 0.961 175.609 174.600 0.080 0.000 0.966 650 S CA -0.231 58.006 58.200 0.062 0.000 0.914 650 S CB -0.209 62.996 63.200 0.008 0.000 0.776 650 S HN 0.042 nan 8.310 nan 0.000 0.523 651 L N 3.194 124.496 121.223 0.130 0.000 2.367 651 L HA 0.245 4.593 4.340 0.012 0.000 0.275 651 L C 0.756 177.711 176.870 0.142 0.000 1.129 651 L CA -0.400 54.530 54.840 0.150 0.000 0.839 651 L CB 0.587 42.777 42.059 0.218 0.000 1.133 651 L HN 0.479 nan 8.230 nan 0.000 0.453 652 E N 2.219 122.486 120.200 0.112 0.000 2.349 652 E HA 0.049 4.407 4.350 0.012 0.000 0.265 652 E C -0.269 176.389 176.600 0.096 0.000 1.064 652 E CA -0.857 55.598 56.400 0.091 0.000 0.886 652 E CB 1.000 30.742 29.700 0.070 0.000 1.036 652 E HN 0.487 nan 8.360 nan 0.000 0.413 653 D N 1.711 122.159 120.400 0.080 0.000 2.239 653 D HA -0.230 4.418 4.640 0.012 0.000 0.202 653 D C 1.214 177.549 176.300 0.060 0.000 0.993 653 D CA 1.679 55.718 54.000 0.065 0.000 0.874 653 D CB -0.170 40.666 40.800 0.059 0.000 0.922 653 D HN 0.631 nan 8.370 nan 0.000 0.464 654 D N 0.697 121.149 120.400 0.086 0.000 2.084 654 D HA -0.146 4.501 4.640 0.012 0.000 0.194 654 D C 1.408 177.666 176.300 -0.071 0.000 0.990 654 D CA 1.170 55.211 54.000 0.069 0.000 0.826 654 D CB 0.005 40.851 40.800 0.077 0.000 0.971 654 D HN -0.018 nan 8.370 nan 0.000 0.453 655 D N -0.647 119.775 120.400 0.037 0.000 2.224 655 D HA -0.063 4.584 4.640 0.012 0.000 0.205 655 D C 2.266 178.688 176.300 0.205 0.000 0.965 655 D CA 0.291 54.372 54.000 0.135 0.000 0.852 655 D CB 0.051 41.014 40.800 0.273 0.000 0.947 655 D HN 0.153 nan 8.370 nan 0.000 0.494 656 V N 1.208 121.226 119.914 0.173 0.000 2.343 656 V HA -0.209 3.918 4.120 0.012 0.000 0.247 656 V C 2.625 178.792 176.094 0.123 0.000 1.051 656 V CA 1.066 63.487 62.300 0.202 0.000 1.036 656 V CB -0.418 31.495 31.823 0.150 0.000 0.654 656 V HN 0.208 nan 8.190 nan 0.000 0.451 657 L N -1.004 120.223 121.223 0.005 0.000 2.191 657 L HA -0.170 4.177 4.340 0.012 0.000 0.212 657 L C 2.626 179.458 176.870 -0.063 0.000 1.103 657 L CA 1.160 55.955 54.840 -0.075 0.000 0.769 657 L CB -0.669 41.279 42.059 -0.184 0.000 0.908 657 L HN 0.404 nan 8.230 nan 0.000 0.438 658 H N -1.169 117.808 119.070 -0.155 0.000 2.389 658 H HA -0.094 4.469 4.556 0.012 0.000 0.299 658 H C 1.027 176.040 175.328 -0.525 0.000 1.081 658 H CA 1.254 57.046 56.048 -0.426 0.000 1.345 658 H CB 0.017 29.359 29.762 -0.699 0.000 1.393 658 H HN 0.372 nan 8.280 nan 0.000 0.520 659 Y N -0.892 119.497 120.300 0.148 0.000 2.612 659 Y HA 0.087 4.645 4.550 0.012 0.000 0.250 659 Y C 1.783 177.732 175.900 0.081 0.000 1.175 659 Y CA -0.374 57.775 58.100 0.082 0.000 1.205 659 Y CB 0.370 38.879 38.460 0.081 0.000 1.201 659 Y HN -0.017 nan 8.280 nan 0.000 0.532 660 L N 0.466 121.811 121.223 0.203 0.000 1.989 660 L HA -0.218 4.129 4.340 0.012 0.000 0.211 660 L C 2.195 179.168 176.870 0.171 0.000 1.071 660 L CA 1.711 56.689 54.840 0.230 0.000 0.749 660 L CB -0.794 41.433 42.059 0.279 0.000 0.890 660 L HN 0.352 nan 8.230 nan 0.000 0.431 661 L N -0.379 120.846 121.223 0.003 0.000 2.013 661 L HA -0.273 4.075 4.340 0.012 0.000 0.212 661 L C 2.452 179.198 176.870 -0.207 0.000 1.073 661 L CA 2.022 56.616 54.840 -0.409 0.000 0.753 661 L CB -0.804 40.854 42.059 -0.669 0.000 0.890 661 L HN 0.513 nan 8.230 nan 0.000 0.432 662 Q N -1.178 118.577 119.800 -0.075 0.000 2.269 662 Q HA -0.054 4.293 4.340 0.012 0.000 0.201 662 Q C 2.298 178.316 176.000 0.030 0.000 0.946 662 Q CA 0.956 56.743 55.803 -0.026 0.000 0.877 662 Q CB -0.031 28.722 28.738 0.026 0.000 0.963 662 Q HN 0.525 nan 8.270 nan 0.000 0.472 663 L N 0.036 121.309 121.223 0.082 0.000 2.056 663 L HA -0.159 4.189 4.340 0.012 0.000 0.207 663 L C 2.290 179.212 176.870 0.086 0.000 1.078 663 L CA 0.753 55.658 54.840 0.110 0.000 0.749 663 L CB -0.353 41.814 42.059 0.181 0.000 0.901 663 L HN 0.067 nan 8.230 nan 0.000 0.433 664 V N -0.679 119.268 119.914 0.055 0.000 2.407 664 V HA -0.253 3.875 4.120 0.012 0.000 0.248 664 V C 2.498 178.575 176.094 -0.028 0.000 1.055 664 V CA 1.417 63.724 62.300 0.012 0.000 1.049 664 V CB -0.485 31.309 31.823 -0.049 0.000 0.662 664 V HN 0.485 nan 8.190 nan 0.000 0.455 665 Q N -0.116 119.627 119.800 -0.094 0.000 2.224 665 Q HA -0.028 4.320 4.340 0.012 0.000 0.203 665 Q C 2.329 178.181 176.000 -0.246 0.000 0.970 665 Q CA 1.549 57.257 55.803 -0.159 0.000 0.865 665 Q CB -0.487 28.144 28.738 -0.178 0.000 0.922 665 Q HN 0.656 nan 8.270 nan 0.000 0.445 666 A N 0.358 123.114 122.820 -0.107 0.000 2.168 666 A HA -0.025 4.303 4.320 0.012 0.000 0.215 666 A C 2.261 179.799 177.584 -0.077 0.000 1.152 666 A CA 0.514 52.524 52.037 -0.045 0.000 0.716 666 A CB -0.271 18.822 19.000 0.156 0.000 0.794 666 A HN 0.171 nan 8.150 nan 0.000 0.465 667 V N 0.283 120.166 119.914 -0.051 0.000 2.594 667 V HA -0.258 3.869 4.120 0.012 0.000 0.253 667 V C 2.232 178.175 176.094 -0.252 0.000 1.069 667 V CA 2.153 64.436 62.300 -0.029 0.000 1.082 667 V CB -0.624 31.294 31.823 0.158 0.000 0.680 667 V HN 0.579 nan 8.190 nan 0.000 0.469 668 K N -0.444 119.625 120.400 -0.553 0.000 2.280 668 K HA -0.077 4.250 4.320 0.012 0.000 0.202 668 K C 1.716 178.021 176.600 -0.491 0.000 1.047 668 K CA 1.347 57.040 56.287 -0.989 0.000 0.942 668 K CB -0.223 31.483 32.500 -1.323 0.000 0.739 668 K HN 0.492 nan 8.250 nan 0.000 0.457 669 F N 1.385 121.253 119.950 -0.137 0.000 2.789 669 F HA 0.051 4.586 4.527 0.013 0.000 0.300 669 F C 0.687 176.455 175.800 -0.052 0.000 1.132 669 F CA -0.399 57.561 58.000 -0.066 0.000 1.404 669 F CB 0.354 39.332 39.000 -0.038 0.000 1.114 669 F HN -0.158 nan 8.300 nan 0.000 0.584 670 E N 1.590 121.844 120.200 0.090 0.000 2.290 670 E HA 0.061 4.418 4.350 0.012 0.000 0.277 670 E C -1.657 174.947 176.600 0.006 0.000 1.035 670 E CA -1.573 54.864 56.400 0.061 0.000 0.873 670 E CB 0.909 30.650 29.700 0.069 0.000 1.029 670 E HN 0.064 nan 8.360 nan 0.000 0.419 671 P HA -0.101 nan 4.420 nan 0.000 0.217 671 P C -0.338 176.695 177.300 -0.445 0.000 1.150 671 P CA 1.362 64.302 63.100 -0.267 0.000 0.832 671 P CB 0.141 31.650 31.700 -0.319 0.000 0.787 672 Y N -2.690 117.556 120.300 -0.090 0.000 2.487 672 Y HA 0.260 4.817 4.550 0.012 0.000 0.337 672 Y C 2.033 177.891 175.900 -0.069 0.000 1.076 672 Y CA -0.759 57.257 58.100 -0.140 0.000 1.115 672 Y CB 0.621 39.041 38.460 -0.067 0.000 1.235 672 Y HN -0.107 nan 8.280 nan 0.000 0.468 673 H N -0.608 118.562 119.070 0.167 0.000 2.387 673 H HA -0.116 4.447 4.556 0.012 0.000 0.299 673 H C 0.070 175.462 175.328 0.108 0.000 1.090 673 H CA 1.353 57.453 56.048 0.086 0.000 1.332 673 H CB 0.059 29.851 29.762 0.051 0.000 1.386 673 H HN 0.523 nan 8.280 nan 0.000 0.516 674 D N 1.378 121.936 120.400 0.262 0.000 2.313 674 D HA 0.174 4.822 4.640 0.012 0.000 0.239 674 D C -0.355 176.043 176.300 0.164 0.000 1.142 674 D CA -0.103 54.013 54.000 0.192 0.000 0.847 674 D CB 0.697 41.615 40.800 0.197 0.000 1.082 674 D HN 0.269 nan 8.370 nan 0.000 0.480 675 S N 1.574 117.359 115.700 0.142 0.000 2.588 675 S HA 0.634 5.112 4.470 0.012 0.000 0.275 675 S C 0.903 175.572 174.600 0.115 0.000 1.130 675 S CA -0.387 57.887 58.200 0.122 0.000 0.855 675 S CB 1.490 64.764 63.200 0.123 0.000 1.116 675 S HN 0.277 nan 8.310 nan 0.000 0.472 676 A N 0.666 123.543 122.820 0.095 0.000 1.978 676 A HA -0.017 4.311 4.320 0.012 0.000 0.220 676 A C 1.947 179.613 177.584 0.137 0.000 1.170 676 A CA 1.761 53.858 52.037 0.099 0.000 0.636 676 A CB -0.933 18.102 19.000 0.058 0.000 0.810 676 A HN 1.035 nan 8.150 nan 0.000 0.448 677 L N -0.427 120.866 121.223 0.116 0.000 2.056 677 L HA 0.015 4.362 4.340 0.012 0.000 0.207 677 L C 2.631 179.633 176.870 0.220 0.000 1.078 677 L CA 2.141 57.070 54.840 0.148 0.000 0.749 677 L CB -0.822 41.299 42.059 0.103 0.000 0.901 677 L HN 0.313 nan 8.230 nan 0.000 0.433 678 A N -0.217 122.707 122.820 0.174 0.000 1.877 678 A HA -0.228 4.100 4.320 0.012 0.000 0.216 678 A C 2.429 180.112 177.584 0.165 0.000 1.186 678 A CA 1.907 54.045 52.037 0.169 0.000 0.620 678 A CB -0.582 18.506 19.000 0.147 0.000 0.822 678 A HN 0.489 nan 8.150 nan 0.000 0.443 679 R N -1.957 118.639 120.500 0.159 0.000 2.120 679 R HA -0.081 4.266 4.340 0.012 0.000 0.234 679 R C 1.925 178.320 176.300 0.159 0.000 1.123 679 R CA 1.458 57.641 56.100 0.138 0.000 0.975 679 R CB -0.465 29.909 30.300 0.122 0.000 0.866 679 R HN 0.623 nan 8.270 nan 0.000 0.446 680 F N 1.302 121.292 119.950 0.067 0.000 2.075 680 F HA -0.172 4.362 4.527 0.012 0.000 0.297 680 F C 1.761 177.604 175.800 0.072 0.000 1.113 680 F CA 1.490 59.530 58.000 0.066 0.000 1.218 680 F CB -0.317 38.721 39.000 0.063 0.000 0.984 680 F HN -0.122 nan 8.300 nan 0.000 0.472 681 L N -0.164 121.140 121.223 0.135 0.000 2.013 681 L HA -0.254 4.093 4.340 0.012 0.000 0.212 681 L C 2.501 179.344 176.870 -0.045 0.000 1.073 681 L CA 1.363 56.214 54.840 0.017 0.000 0.753 681 L CB -1.067 41.068 42.059 0.127 0.000 0.890 681 L HN 0.320 nan 8.230 nan 0.000 0.432 682 L N 0.241 121.481 121.223 0.029 0.000 2.043 682 L HA -0.260 4.088 4.340 0.012 0.000 0.212 682 L C 2.582 179.476 176.870 0.041 0.000 1.075 682 L CA 1.918 56.797 54.840 0.067 0.000 0.752 682 L CB -0.588 41.525 42.059 0.091 0.000 0.891 682 L HN 0.161 nan 8.230 nan 0.000 0.432 683 K N -1.196 119.181 120.400 -0.038 0.000 2.002 683 K HA -0.167 4.160 4.320 0.012 0.000 0.209 683 K C 2.188 178.730 176.600 -0.098 0.000 1.048 683 K CA 1.147 57.394 56.287 -0.066 0.000 0.930 683 K CB -0.058 32.388 32.500 -0.091 0.000 0.714 683 K HN 0.183 nan 8.250 nan 0.000 0.438 684 R N -0.072 120.285 120.500 -0.238 0.000 2.120 684 R HA -0.056 4.291 4.340 0.012 0.000 0.234 684 R C 2.333 178.611 176.300 -0.038 0.000 1.123 684 R CA 1.335 57.318 56.100 -0.195 0.000 0.975 684 R CB -1.118 28.969 30.300 -0.356 0.000 0.866 684 R HN 0.457 nan 8.270 nan 0.000 0.446 685 G N 0.730 109.527 108.800 -0.005 0.000 2.422 685 G HA2 -0.164 3.803 3.960 0.012 0.000 0.218 685 G HA3 -0.164 3.803 3.960 0.012 0.000 0.218 685 G C 1.519 176.636 174.900 0.362 0.000 1.140 685 G CA 0.231 45.383 45.100 0.086 0.000 0.775 685 G HN 0.228 nan 8.290 nan 0.000 0.545 686 L N -0.676 120.712 121.223 0.275 0.000 2.270 686 L HA 0.205 4.552 4.340 0.012 0.000 0.210 686 L C 2.748 179.692 176.870 0.124 0.000 1.104 686 L CA 0.243 55.204 54.840 0.201 0.000 0.804 686 L CB -0.156 41.934 42.059 0.051 0.000 0.937 686 L HN 0.106 nan 8.230 nan 0.000 0.450 687 R N 0.232 120.793 120.500 0.102 0.000 2.236 687 R HA -0.021 4.326 4.340 0.012 0.000 0.208 687 R C 0.231 176.676 176.300 0.242 0.000 1.036 687 R CA 0.423 56.578 56.100 0.093 0.000 1.001 687 R CB 0.282 30.602 30.300 0.034 0.000 0.896 687 R HN 0.228 nan 8.270 nan 0.000 0.464 688 N N 0.092 118.953 118.700 0.270 0.000 2.425 688 N HA 0.076 4.823 4.740 0.012 0.000 0.289 688 N C -0.413 175.193 175.510 0.160 0.000 1.074 688 N CA -0.297 52.877 53.050 0.207 0.000 0.905 688 N CB 1.838 40.384 38.487 0.098 0.000 1.586 688 N HN -0.162 nan 8.380 nan 0.000 0.490 689 K N 1.724 122.119 120.400 -0.008 0.000 2.057 689 K HA -0.083 4.245 4.320 0.012 0.000 0.206 689 K C 1.699 178.229 176.600 -0.117 0.000 1.050 689 K CA 1.023 57.228 56.287 -0.136 0.000 0.935 689 K CB 0.212 32.456 32.500 -0.426 0.000 0.715 689 K HN 0.484 nan 8.250 nan 0.000 0.439 690 R N 1.261 121.650 120.500 -0.186 0.000 2.073 690 R HA -0.100 4.247 4.340 0.012 0.000 0.234 690 R C 2.241 178.570 176.300 0.049 0.000 1.134 690 R CA 1.354 57.362 56.100 -0.154 0.000 0.952 690 R CB -0.231 29.902 30.300 -0.277 0.000 0.850 690 R HN 0.123 nan 8.270 nan 0.000 0.433 691 I N 0.079 120.661 120.570 0.019 0.000 2.226 691 I HA -0.187 3.991 4.170 0.012 0.000 0.245 691 I C 2.440 178.566 176.117 0.016 0.000 1.100 691 I CA 1.471 62.795 61.300 0.040 0.000 1.374 691 I CB -0.647 37.359 38.000 0.010 0.000 1.057 691 I HN 0.449 nan 8.210 nan 0.000 0.413 692 G N -0.265 108.566 108.800 0.052 0.000 2.422 692 G HA2 -0.329 3.638 3.960 0.012 0.000 0.218 692 G HA3 -0.329 3.638 3.960 0.012 0.000 0.218 692 G C 1.466 176.363 174.900 -0.005 0.000 1.146 692 G CA 1.201 46.295 45.100 -0.011 0.000 0.769 692 G HN 0.443 nan 8.290 nan 0.000 0.547 693 H N -0.240 118.852 119.070 0.037 0.000 2.293 693 H HA -0.009 4.554 4.556 0.012 0.000 0.300 693 H C 2.141 177.430 175.328 -0.065 0.000 1.082 693 H CA 1.756 57.839 56.048 0.057 0.000 1.308 693 H CB -0.316 29.323 29.762 -0.204 0.000 1.375 693 H HN 0.351 nan 8.280 nan 0.000 0.495 694 F N -0.633 119.249 119.950 -0.113 0.000 2.259 694 F HA -0.071 4.464 4.527 0.013 0.000 0.298 694 F C 2.303 177.609 175.800 -0.824 0.000 1.088 694 F CA 0.544 58.220 58.000 -0.541 0.000 1.358 694 F CB -0.214 38.429 39.000 -0.595 0.000 1.040 694 F HN 0.233 nan 8.300 nan 0.000 0.505 695 L N -0.082 120.947 121.223 -0.323 0.000 2.012 695 L HA -0.244 4.103 4.340 0.012 0.000 0.210 695 L C 2.211 178.852 176.870 -0.381 0.000 1.073 695 L CA 1.714 56.365 54.840 -0.315 0.000 0.748 695 L CB -1.193 40.637 42.059 -0.382 0.000 0.891 695 L HN 0.204 nan 8.230 nan 0.000 0.431 696 F N -0.741 118.816 119.950 -0.656 0.000 2.043 696 F HA -0.288 4.246 4.527 0.012 0.000 0.297 696 F C 1.906 177.315 175.800 -0.652 0.000 1.121 696 F CA 2.183 59.707 58.000 -0.792 0.000 1.199 696 F CB -0.771 37.481 39.000 -1.246 0.000 0.968 696 F HN 0.144 nan 8.300 nan 0.000 0.478 697 W N -0.337 120.722 121.300 -0.401 0.000 2.402 697 W HA -0.086 4.580 4.660 0.011 0.000 0.286 697 W C 2.459 178.890 176.519 -0.147 0.000 1.221 697 W CA 1.101 58.246 57.345 -0.333 0.000 1.257 697 W CB -0.780 28.576 29.460 -0.172 0.000 1.120 697 W HN 0.038 nan 8.180 nan 0.000 0.551 698 F N -0.239 119.694 119.950 -0.028 0.000 2.146 698 F HA -0.205 4.329 4.527 0.012 0.000 0.298 698 F C 2.123 177.726 175.800 -0.327 0.000 1.096 698 F CA 0.548 58.472 58.000 -0.126 0.000 1.275 698 F CB -0.693 38.243 39.000 -0.106 0.000 1.008 698 F HN -0.189 nan 8.300 nan 0.000 0.480 699 L N -0.156 120.922 121.223 -0.242 0.000 2.072 699 L HA -0.166 4.181 4.340 0.012 0.000 0.205 699 L C 2.557 179.194 176.870 -0.388 0.000 1.079 699 L CA 1.100 55.670 54.840 -0.450 0.000 0.752 699 L CB -0.602 41.227 42.059 -0.384 0.000 0.906 699 L HN 0.047 nan 8.230 nan 0.000 0.436 700 R N -0.310 119.910 120.500 -0.467 0.000 2.120 700 R HA -0.180 4.167 4.340 0.012 0.000 0.234 700 R C 2.587 178.782 176.300 -0.175 0.000 1.123 700 R CA 1.479 57.325 56.100 -0.423 0.000 0.975 700 R CB -0.144 29.694 30.300 -0.770 0.000 0.866 700 R HN 0.223 nan 8.270 nan 0.000 0.446 701 S N 0.315 115.961 115.700 -0.091 0.000 2.359 701 S HA -0.157 4.321 4.470 0.012 0.000 0.224 701 S C 1.635 176.213 174.600 -0.037 0.000 1.035 701 S CA 1.385 59.583 58.200 -0.002 0.000 1.018 701 S CB -0.100 63.128 63.200 0.046 0.000 0.876 701 S HN 0.366 nan 8.310 nan 0.000 0.448 702 E N 0.799 120.931 120.200 -0.114 0.000 2.107 702 E HA 0.019 4.377 4.350 0.012 0.000 0.191 702 E C 2.133 178.765 176.600 0.054 0.000 0.982 702 E CA 0.839 57.212 56.400 -0.045 0.000 0.809 702 E CB -0.420 29.177 29.700 -0.171 0.000 0.756 702 E HN 0.621 nan 8.360 nan 0.000 0.459 703 I N 1.150 121.722 120.570 0.004 0.000 2.286 703 I HA -0.246 3.932 4.170 0.012 0.000 0.248 703 I C 2.397 178.531 176.117 0.030 0.000 1.115 703 I CA 1.091 62.399 61.300 0.014 0.000 1.392 703 I CB -0.273 37.701 38.000 -0.043 0.000 1.065 703 I HN -0.012 nan 8.210 nan 0.000 0.418 704 A N 0.555 123.392 122.820 0.029 0.000 1.970 704 A HA -0.154 4.173 4.320 0.012 0.000 0.216 704 A C 1.880 179.510 177.584 0.078 0.000 1.170 704 A CA 1.261 53.333 52.037 0.058 0.000 0.645 704 A CB -0.280 18.754 19.000 0.057 0.000 0.816 704 A HN 0.653 nan 8.150 nan 0.000 0.447 705 Q N -1.456 118.389 119.800 0.075 0.000 2.115 705 Q HA 0.410 4.757 4.340 0.012 0.000 0.249 705 Q C -0.238 175.818 176.000 0.094 0.000 0.830 705 Q CA 0.196 56.050 55.803 0.086 0.000 1.104 705 Q CB 0.187 28.971 28.738 0.077 0.000 1.207 705 Q HN 0.217 nan 8.270 nan 0.000 0.464 706 S N 0.440 116.204 115.700 0.106 0.000 2.496 706 S HA 0.365 4.842 4.470 0.012 0.000 0.221 706 S C 0.146 174.818 174.600 0.121 0.000 1.260 706 S CA -0.601 57.679 58.200 0.133 0.000 1.181 706 S CB 0.713 64.012 63.200 0.165 0.000 1.136 706 S HN 0.439 nan 8.310 nan 0.000 0.467 707 R N 1.480 122.062 120.500 0.136 0.000 2.189 707 R HA -0.028 4.319 4.340 0.012 0.000 0.223 707 R C 1.102 177.389 176.300 -0.021 0.000 1.092 707 R CA 1.421 57.595 56.100 0.124 0.000 0.989 707 R CB -0.231 30.230 30.300 0.268 0.000 0.876 707 R HN 0.671 nan 8.270 nan 0.000 0.457 708 H N -1.770 117.101 119.070 -0.332 0.000 2.423 708 H HA -0.075 4.488 4.556 0.012 0.000 0.297 708 H C 0.491 175.420 175.328 -0.665 0.000 1.075 708 H CA 1.344 56.981 56.048 -0.686 0.000 1.342 708 H CB 0.191 29.496 29.762 -0.762 0.000 1.395 708 H HN 0.230 nan 8.280 nan 0.000 0.530 709 Y N -0.202 120.061 120.300 -0.061 0.000 2.717 709 Y HA 0.056 4.613 4.550 0.012 0.000 0.250 709 Y C 1.714 177.486 175.900 -0.214 0.000 1.149 709 Y CA -0.389 57.583 58.100 -0.214 0.000 1.211 709 Y CB 0.480 38.734 38.460 -0.343 0.000 1.289 709 Y HN 0.213 nan 8.280 nan 0.000 0.552 710 Q N 0.165 119.944 119.800 -0.036 0.000 2.124 710 Q HA -0.217 4.130 4.340 0.012 0.000 0.202 710 Q C 1.266 177.024 176.000 -0.405 0.000 0.977 710 Q CA 1.775 57.489 55.803 -0.149 0.000 0.850 710 Q CB -0.251 28.351 28.738 -0.227 0.000 0.901 710 Q HN 0.540 nan 8.270 nan 0.000 0.429 711 Q N 0.790 120.319 119.800 -0.453 0.000 2.020 711 Q HA -0.164 4.183 4.340 0.012 0.000 0.202 711 Q C 2.305 178.101 176.000 -0.340 0.000 0.982 711 Q CA 1.665 57.198 55.803 -0.451 0.000 0.838 711 Q CB -0.222 28.353 28.738 -0.272 0.000 0.899 711 Q HN 0.410 nan 8.270 nan 0.000 0.423 712 R N 0.338 120.617 120.500 -0.369 0.000 2.083 712 R HA -0.148 4.199 4.340 0.012 0.000 0.237 712 R C 2.045 178.233 176.300 -0.187 0.000 1.137 712 R CA 1.478 57.352 56.100 -0.377 0.000 0.951 712 R CB -0.280 29.845 30.300 -0.291 0.000 0.851 712 R HN 0.228 nan 8.270 nan 0.000 0.434 713 F N 0.424 120.320 119.950 -0.090 0.000 2.234 713 F HA -0.094 4.441 4.527 0.012 0.000 0.299 713 F C 2.622 178.354 175.800 -0.113 0.000 1.087 713 F CA 0.394 58.340 58.000 -0.089 0.000 1.340 713 F CB -0.152 38.793 39.000 -0.091 0.000 1.031 713 F HN 0.243 nan 8.300 nan 0.000 0.500 714 A N -0.004 122.829 122.820 0.023 0.000 1.902 714 A HA -0.145 4.182 4.320 0.012 0.000 0.217 714 A C 2.250 179.845 177.584 0.019 0.000 1.181 714 A CA 1.740 53.773 52.037 -0.006 0.000 0.623 714 A CB -1.148 17.829 19.000 -0.039 0.000 0.818 714 A HN 0.166 nan 8.150 nan 0.000 0.443 715 V N 0.237 120.147 119.914 -0.007 0.000 2.407 715 V HA -0.259 3.869 4.120 0.012 0.000 0.248 715 V C 2.380 178.495 176.094 0.035 0.000 1.055 715 V CA 1.973 64.275 62.300 0.003 0.000 1.049 715 V CB -0.640 31.159 31.823 -0.040 0.000 0.662 715 V HN 0.568 nan 8.190 nan 0.000 0.455 716 I N -0.743 119.863 120.570 0.061 0.000 2.286 716 I HA -0.183 3.994 4.170 0.012 0.000 0.245 716 I C 2.364 178.533 176.117 0.087 0.000 1.104 716 I CA 1.096 62.452 61.300 0.093 0.000 1.397 716 I CB -0.339 37.751 38.000 0.150 0.000 1.072 716 I HN 0.311 nan 8.210 nan 0.000 0.417 717 L N 1.163 122.418 121.223 0.053 0.000 2.046 717 L HA -0.223 4.124 4.340 0.012 0.000 0.208 717 L C 2.461 179.377 176.870 0.077 0.000 1.077 717 L CA 1.905 56.761 54.840 0.026 0.000 0.747 717 L CB -0.822 41.183 42.059 -0.091 0.000 0.896 717 L HN 0.258 nan 8.230 nan 0.000 0.432 718 E N -0.423 119.802 120.200 0.041 0.000 2.085 718 E HA -0.280 4.077 4.350 0.012 0.000 0.194 718 E C 2.042 178.670 176.600 0.047 0.000 0.994 718 E CA 1.358 57.774 56.400 0.027 0.000 0.801 718 E CB -0.160 29.549 29.700 0.014 0.000 0.743 718 E HN 0.617 nan 8.360 nan 0.000 0.453 719 A N 0.513 123.373 122.820 0.066 0.000 1.908 719 A HA -0.232 4.095 4.320 0.012 0.000 0.218 719 A C 2.082 179.720 177.584 0.090 0.000 1.181 719 A CA 1.713 53.791 52.037 0.069 0.000 0.627 719 A CB -1.041 18.003 19.000 0.073 0.000 0.818 719 A HN 0.614 nan 8.150 nan 0.000 0.445 720 Y N 0.451 120.761 120.300 0.016 0.000 2.163 720 Y HA -0.115 4.442 4.550 0.012 0.000 0.288 720 Y C 1.881 177.811 175.900 0.050 0.000 1.136 720 Y CA 1.827 59.944 58.100 0.027 0.000 1.147 720 Y CB -0.373 38.096 38.460 0.016 0.000 0.987 720 Y HN 0.190 nan 8.280 nan 0.000 0.509 721 L N 0.202 121.398 121.223 -0.045 0.000 2.265 721 L HA -0.175 4.173 4.340 0.012 0.000 0.215 721 L C 2.039 178.864 176.870 -0.075 0.000 1.117 721 L CA 1.193 55.972 54.840 -0.102 0.000 0.782 721 L CB -0.402 41.662 42.059 0.009 0.000 0.914 721 L HN 0.163 nan 8.230 nan 0.000 0.441 722 R N -0.496 119.985 120.500 -0.032 0.000 2.320 722 R HA 0.075 4.422 4.340 0.012 0.000 0.211 722 R C 1.445 177.738 176.300 -0.011 0.000 0.931 722 R CA 0.522 56.654 56.100 0.053 0.000 1.071 722 R CB 0.208 30.558 30.300 0.083 0.000 1.025 722 R HN 0.337 nan 8.270 nan 0.000 0.495 723 G N -0.686 108.043 108.800 -0.118 0.000 3.102 723 G HA2 -0.105 3.862 3.960 0.012 0.000 0.204 723 G HA3 -0.105 3.862 3.960 0.012 0.000 0.204 723 G C 1.212 175.995 174.900 -0.195 0.000 1.155 723 G CA -0.042 44.976 45.100 -0.136 0.000 0.931 723 G HN 0.405 nan 8.290 nan 0.000 0.691 724 C N -0.025 119.077 119.300 -0.331 0.000 2.432 724 C HA 0.536 5.004 4.460 0.012 0.000 0.280 724 C C 1.532 176.525 174.990 0.005 0.000 1.353 724 C CA 0.334 59.195 59.018 -0.263 0.000 1.766 724 C CB -1.079 26.355 27.740 -0.510 0.000 1.924 724 C HN 1.483 nan 8.230 nan 0.000 0.509 725 G N -1.041 107.751 108.800 -0.013 0.000 2.539 725 G HA2 0.073 4.040 3.960 0.012 0.000 0.686 725 G HA3 0.073 4.040 3.960 0.012 0.000 0.686 725 G C 0.024 174.942 174.900 0.031 0.000 1.258 725 G CA -0.090 45.030 45.100 0.033 0.000 0.846 725 G HN 0.258 nan 8.290 nan 0.000 0.647 726 T N 0.991 115.562 114.554 0.028 0.000 2.788 726 T HA 0.050 4.407 4.350 0.012 0.000 0.268 726 T C 2.877 177.591 174.700 0.023 0.000 1.044 726 T CA 2.873 64.993 62.100 0.033 0.000 1.139 726 T CB -0.438 68.435 68.868 0.008 0.000 0.867 726 T HN 1.543 nan 8.240 nan 0.000 0.454 727 A N 1.630 124.448 122.820 -0.004 0.000 1.865 727 A HA -0.092 4.235 4.320 0.012 0.000 0.217 727 A C 2.340 179.885 177.584 -0.064 0.000 1.191 727 A CA 1.694 53.717 52.037 -0.024 0.000 0.623 727 A CB -0.671 18.302 19.000 -0.046 0.000 0.826 727 A HN 0.464 nan 8.150 nan 0.000 0.444 728 M N -0.686 118.829 119.600 -0.141 0.000 2.254 728 M HA -0.008 4.480 4.480 0.012 0.000 0.265 728 M C 2.049 178.132 176.300 -0.363 0.000 1.066 728 M CA 0.935 56.009 55.300 -0.377 0.000 1.123 728 M CB -0.469 31.904 32.600 -0.379 0.000 1.388 728 M HN 0.346 nan 8.290 nan 0.000 0.425 729 L N -0.687 120.505 121.223 -0.051 0.000 2.127 729 L HA -0.265 4.082 4.340 0.012 0.000 0.211 729 L C 2.577 179.478 176.870 0.051 0.000 1.089 729 L CA 1.444 56.333 54.840 0.081 0.000 0.757 729 L CB -0.853 41.277 42.059 0.117 0.000 0.899 729 L HN 0.382 nan 8.230 nan 0.000 0.434 730 H N -0.250 118.780 119.070 -0.068 0.000 2.372 730 H HA -0.130 4.433 4.556 0.011 0.000 0.301 730 H C 1.904 177.180 175.328 -0.087 0.000 1.065 730 H CA 1.515 57.531 56.048 -0.053 0.000 1.364 730 H CB 0.098 29.831 29.762 -0.047 0.000 1.406 730 H HN 0.185 nan 8.280 nan 0.000 0.521 731 D N 0.153 120.389 120.400 -0.273 0.000 2.087 731 D HA -0.184 4.463 4.640 0.012 0.000 0.192 731 D C 2.223 178.353 176.300 -0.283 0.000 0.993 731 D CA 1.437 55.226 54.000 -0.351 0.000 0.828 731 D CB -0.684 39.857 40.800 -0.431 0.000 0.968 731 D HN 0.405 nan 8.370 nan 0.000 0.448 732 F N 1.255 121.038 119.950 -0.278 0.000 2.087 732 F HA -0.254 4.281 4.527 0.012 0.000 0.299 732 F C 2.772 178.432 175.800 -0.233 0.000 1.100 732 F CA 1.204 58.936 58.000 -0.447 0.000 1.226 732 F CB -0.692 37.809 39.000 -0.832 0.000 0.983 732 F HN -0.052 nan 8.300 nan 0.000 0.479 733 T N -0.569 113.982 114.554 -0.006 0.000 2.665 733 T HA -0.271 4.086 4.350 0.012 0.000 0.268 733 T C 1.831 176.508 174.700 -0.040 0.000 1.035 733 T CA 1.623 63.714 62.100 -0.017 0.000 1.151 733 T CB -0.402 68.450 68.868 -0.027 0.000 0.862 733 T HN 0.353 nan 8.240 nan 0.000 0.438 734 Q N 0.467 120.188 119.800 -0.133 0.000 2.084 734 Q HA -0.135 4.212 4.340 0.012 0.000 0.202 734 Q C 2.646 178.643 176.000 -0.004 0.000 0.978 734 Q CA 1.267 57.013 55.803 -0.095 0.000 0.844 734 Q CB -0.169 28.473 28.738 -0.160 0.000 0.898 734 Q HN 0.647 nan 8.270 nan 0.000 0.426 735 Q N -0.218 119.637 119.800 0.091 0.000 2.050 735 Q HA -0.148 4.199 4.340 0.012 0.000 0.202 735 Q C 2.215 178.362 176.000 0.244 0.000 0.980 735 Q CA 1.589 57.527 55.803 0.225 0.000 0.840 735 Q CB -0.110 28.940 28.738 0.520 0.000 0.898 735 Q HN 0.212 nan 8.270 nan 0.000 0.424 736 V N 1.262 121.332 119.914 0.259 0.000 2.407 736 V HA -0.271 3.856 4.120 0.012 0.000 0.248 736 V C 2.196 178.360 176.094 0.116 0.000 1.055 736 V CA 1.755 64.199 62.300 0.241 0.000 1.049 736 V CB -0.608 31.314 31.823 0.165 0.000 0.662 736 V HN 0.369 nan 8.190 nan 0.000 0.455 737 Q N -0.525 119.302 119.800 0.045 0.000 2.020 737 Q HA -0.194 4.153 4.340 0.012 0.000 0.202 737 Q C 2.497 178.469 176.000 -0.047 0.000 0.982 737 Q CA 2.045 57.847 55.803 -0.001 0.000 0.838 737 Q CB -0.508 28.220 28.738 -0.016 0.000 0.899 737 Q HN 0.584 nan 8.270 nan 0.000 0.423 738 V N 0.684 120.518 119.914 -0.133 0.000 2.427 738 V HA -0.221 3.906 4.120 0.012 0.000 0.248 738 V C 1.955 177.949 176.094 -0.168 0.000 1.051 738 V CA 1.374 63.523 62.300 -0.251 0.000 1.048 738 V CB -0.355 31.064 31.823 -0.672 0.000 0.666 738 V HN 0.334 nan 8.190 nan 0.000 0.456 739 I N 0.103 120.653 120.570 -0.034 0.000 2.179 739 I HA -0.243 3.934 4.170 0.012 0.000 0.242 739 I C 2.656 178.817 176.117 0.073 0.000 1.088 739 I CA 2.278 63.667 61.300 0.149 0.000 1.357 739 I CB -0.451 37.722 38.000 0.290 0.000 1.051 739 I HN 0.424 nan 8.210 nan 0.000 0.409 740 E N 0.499 120.735 120.200 0.059 0.000 2.058 740 E HA -0.255 4.102 4.350 0.012 0.000 0.194 740 E C 2.298 178.880 176.600 -0.030 0.000 0.997 740 E CA 1.456 57.877 56.400 0.034 0.000 0.801 740 E CB -0.142 29.581 29.700 0.037 0.000 0.746 740 E HN 0.463 nan 8.360 nan 0.000 0.450 741 M N 0.336 119.898 119.600 -0.063 0.000 2.117 741 M HA -0.174 4.313 4.480 0.012 0.000 0.262 741 M C 2.284 178.493 176.300 -0.152 0.000 1.065 741 M CA 1.367 56.615 55.300 -0.086 0.000 1.114 741 M CB -0.232 32.321 32.600 -0.078 0.000 1.361 741 M HN 0.136 nan 8.290 nan 0.000 0.408 742 L N -0.607 120.449 121.223 -0.278 0.000 2.109 742 L HA -0.175 4.173 4.340 0.012 0.000 0.207 742 L C 2.491 179.082 176.870 -0.464 0.000 1.086 742 L CA 1.066 55.598 54.840 -0.514 0.000 0.760 742 L CB -0.670 40.748 42.059 -1.069 0.000 0.910 742 L HN 0.379 nan 8.230 nan 0.000 0.437 743 Q N 0.211 119.844 119.800 -0.278 0.000 2.124 743 Q HA -0.204 4.143 4.340 0.012 0.000 0.202 743 Q C 2.177 178.150 176.000 -0.045 0.000 0.977 743 Q CA 1.296 57.075 55.803 -0.040 0.000 0.850 743 Q CB -0.010 28.787 28.738 0.099 0.000 0.901 743 Q HN 0.463 nan 8.270 nan 0.000 0.429 744 K N 0.049 120.412 120.400 -0.063 0.000 2.026 744 K HA -0.134 4.193 4.320 0.012 0.000 0.208 744 K C 2.103 178.675 176.600 -0.048 0.000 1.048 744 K CA 1.482 57.740 56.287 -0.048 0.000 0.929 744 K CB -0.149 32.326 32.500 -0.042 0.000 0.713 744 K HN 0.038 nan 8.250 nan 0.000 0.439 745 V N 1.364 121.236 119.914 -0.070 0.000 2.407 745 V HA -0.235 3.892 4.120 0.012 0.000 0.248 745 V C 2.168 178.248 176.094 -0.023 0.000 1.055 745 V CA 2.051 64.320 62.300 -0.051 0.000 1.049 745 V CB -0.715 31.064 31.823 -0.074 0.000 0.662 745 V HN 0.404 nan 8.190 nan 0.000 0.455 746 T N 0.666 115.206 114.554 -0.023 0.000 2.746 746 T HA -0.122 4.235 4.350 0.012 0.000 0.267 746 T C 1.858 176.590 174.700 0.054 0.000 1.039 746 T CA 1.614 63.743 62.100 0.048 0.000 1.142 746 T CB -0.280 68.659 68.868 0.118 0.000 0.866 746 T HN 0.336 nan 8.240 nan 0.000 0.444 747 L N 0.724 121.952 121.223 0.009 0.000 2.072 747 L HA -0.056 4.291 4.340 0.012 0.000 0.205 747 L C 2.408 179.281 176.870 0.005 0.000 1.079 747 L CA 1.095 55.925 54.840 -0.018 0.000 0.752 747 L CB -0.611 41.395 42.059 -0.089 0.000 0.906 747 L HN 0.115 nan 8.230 nan 0.000 0.436 748 D N 0.199 120.599 120.400 -0.001 0.000 2.178 748 D HA -0.150 4.497 4.640 0.012 0.000 0.201 748 D C 2.222 178.533 176.300 0.018 0.000 0.980 748 D CA 1.037 55.040 54.000 0.005 0.000 0.842 748 D CB 0.022 40.820 40.800 -0.003 0.000 0.948 748 D HN 0.151 nan 8.370 nan 0.000 0.472 749 I N 0.592 121.177 120.570 0.026 0.000 2.286 749 I HA -0.143 4.034 4.170 0.012 0.000 0.245 749 I C 2.188 178.334 176.117 0.048 0.000 1.104 749 I CA 0.831 62.152 61.300 0.036 0.000 1.397 749 I CB -0.623 37.404 38.000 0.043 0.000 1.072 749 I HN 0.023 nan 8.210 nan 0.000 0.417 750 K N 0.686 121.123 120.400 0.063 0.000 2.152 750 K HA -0.148 4.179 4.320 0.012 0.000 0.206 750 K C 2.242 178.879 176.600 0.062 0.000 1.048 750 K CA 1.428 57.762 56.287 0.078 0.000 0.933 750 K CB 0.189 32.762 32.500 0.121 0.000 0.721 750 K HN 0.138 nan 8.250 nan 0.000 0.447 751 S N 0.889 116.618 115.700 0.048 0.000 2.356 751 S HA -0.043 4.435 4.470 0.012 0.000 0.223 751 S C 0.975 175.594 174.600 0.032 0.000 1.032 751 S CA 0.743 58.966 58.200 0.038 0.000 1.005 751 S CB -0.175 63.041 63.200 0.028 0.000 0.867 751 S HN 0.177 nan 8.310 nan 0.000 0.449 758 D N 1.274 121.679 120.400 0.008 0.000 2.423 758 D HA 0.383 5.030 4.640 0.012 0.000 0.238 758 D C 0.066 176.371 176.300 0.009 0.000 1.142 758 D CA 0.595 54.598 54.000 0.006 0.000 0.884 758 D CB 2.346 43.149 40.800 0.004 0.000 1.199 758 D HN 0.313 nan 8.370 nan 0.000 0.438 759 V N 2.614 122.532 119.914 0.007 0.000 2.258 759 V HA 0.053 4.180 4.120 0.012 0.000 0.258 759 V C 0.979 177.076 176.094 0.006 0.000 1.121 759 V CA -0.517 61.788 62.300 0.009 0.000 0.942 759 V CB -0.200 31.627 31.823 0.007 0.000 1.170 759 V HN 0.565 nan 8.190 nan 0.000 0.487 760 S N 3.305 119.010 115.700 0.008 0.000 2.611 760 S HA 0.028 4.505 4.470 0.012 0.000 0.252 760 S C 1.654 176.257 174.600 0.005 0.000 1.369 760 S CA 0.218 58.422 58.200 0.006 0.000 0.975 760 S CB 0.602 63.806 63.200 0.007 0.000 0.937 760 S HN 0.871 nan 8.310 nan 0.000 0.584 761 S N -0.620 115.083 115.700 0.004 0.000 2.414 761 S HA -0.140 4.338 4.470 0.012 0.000 0.227 761 S C 1.917 176.521 174.600 0.006 0.000 1.022 761 S CA 0.826 59.029 58.200 0.004 0.000 0.958 761 S CB -0.806 62.396 63.200 0.003 0.000 0.797 761 S HN 0.802 nan 8.310 nan 0.000 0.493 762 Q N 0.519 120.323 119.800 0.007 0.000 2.170 762 Q HA -0.058 4.290 4.340 0.012 0.000 0.203 762 Q C 2.088 178.094 176.000 0.010 0.000 0.976 762 Q CA 1.529 57.337 55.803 0.008 0.000 0.858 762 Q CB -0.181 28.562 28.738 0.008 0.000 0.907 762 Q HN 0.527 nan 8.270 nan 0.000 0.433 763 V N -0.307 119.614 119.914 0.012 0.000 2.500 763 V HA -0.110 4.017 4.120 0.012 0.000 0.243 763 V C 1.900 178.004 176.094 0.016 0.000 1.039 763 V CA 1.024 63.334 62.300 0.016 0.000 1.053 763 V CB -0.167 31.668 31.823 0.020 0.000 0.695 763 V HN 0.406 nan 8.190 nan 0.000 0.463 764 I N 0.403 120.981 120.570 0.013 0.000 2.286 764 I HA -0.188 3.989 4.170 0.012 0.000 0.248 764 I C 2.749 178.873 176.117 0.011 0.000 1.115 764 I CA 1.893 63.201 61.300 0.013 0.000 1.392 764 I CB -0.507 37.497 38.000 0.007 0.000 1.065 764 I HN 0.416 nan 8.210 nan 0.000 0.418 765 S N 0.145 115.850 115.700 0.009 0.000 2.355 765 S HA -0.188 4.289 4.470 0.012 0.000 0.222 765 S C 2.080 176.685 174.600 0.008 0.000 1.031 765 S CA 1.202 59.406 58.200 0.008 0.000 0.993 765 S CB -0.071 63.133 63.200 0.006 0.000 0.859 765 S HN 0.355 nan 8.310 nan 0.000 0.453 766 Q N 0.493 120.299 119.800 0.009 0.000 2.084 766 Q HA -0.084 4.264 4.340 0.012 0.000 0.202 766 Q C 2.228 178.234 176.000 0.009 0.000 0.978 766 Q CA 1.146 56.955 55.803 0.009 0.000 0.844 766 Q CB -0.775 27.969 28.738 0.010 0.000 0.898 766 Q HN 0.540 nan 8.270 nan 0.000 0.426 767 L N 1.454 122.685 121.223 0.013 0.000 1.961 767 L HA -0.185 4.162 4.340 0.012 0.000 0.210 767 L C 2.018 178.893 176.870 0.009 0.000 1.072 767 L CA 1.974 56.822 54.840 0.014 0.000 0.749 767 L CB -0.543 41.531 42.059 0.026 0.000 0.889 767 L HN 0.019 nan 8.230 nan 0.000 0.432 768 K N -0.904 119.502 120.400 0.010 0.000 2.152 768 K HA -0.263 4.064 4.320 0.012 0.000 0.206 768 K C 2.117 178.718 176.600 0.002 0.000 1.048 768 K CA 1.562 57.853 56.287 0.006 0.000 0.933 768 K CB -0.238 32.267 32.500 0.008 0.000 0.721 768 K HN 0.399 nan 8.250 nan 0.000 0.447 769 Q N 1.828 121.630 119.800 0.004 0.000 2.016 769 Q HA -0.130 4.217 4.340 0.012 0.000 0.200 769 Q C 1.585 177.585 176.000 -0.000 0.000 0.978 769 Q CA 1.785 57.590 55.803 0.003 0.000 0.833 769 Q CB 0.042 28.782 28.738 0.004 0.000 0.895 769 Q HN 0.153 nan 8.270 nan 0.000 0.427 770 K N -0.137 120.262 120.400 -0.002 0.000 2.032 770 K HA -0.118 4.209 4.320 0.012 0.000 0.209 770 K C 2.146 178.740 176.600 -0.010 0.000 1.048 770 K CA 1.586 57.870 56.287 -0.006 0.000 0.927 770 K CB -0.330 32.165 32.500 -0.009 0.000 0.712 770 K HN 0.252 nan 8.250 nan 0.000 0.441 771 L N 1.021 122.237 121.223 -0.012 0.000 2.191 771 L HA -0.198 4.150 4.340 0.012 0.000 0.212 771 L C 2.192 179.057 176.870 -0.009 0.000 1.103 771 L CA 1.236 56.066 54.840 -0.018 0.000 0.769 771 L CB -0.392 41.652 42.059 -0.025 0.000 0.908 771 L HN 0.263 nan 8.230 nan 0.000 0.438 772 E N -0.070 120.127 120.200 -0.004 0.000 2.072 772 E HA -0.161 4.196 4.350 0.012 0.000 0.191 772 E C 1.920 178.522 176.600 0.004 0.000 0.985 772 E CA 0.834 57.235 56.400 0.001 0.000 0.801 772 E CB -0.047 29.654 29.700 0.003 0.000 0.750 772 E HN 0.514 nan 8.360 nan 0.000 0.452 773 N N 0.864 119.565 118.700 0.002 0.000 2.120 773 N HA -0.138 4.609 4.740 0.012 0.000 0.188 773 N C 2.054 177.566 175.510 0.004 0.000 1.024 773 N CA 0.904 53.955 53.050 0.003 0.000 0.852 773 N CB -0.122 38.365 38.487 0.000 0.000 1.003 773 N HN 0.161 nan 8.380 nan 0.000 0.424 774 L N 1.182 122.406 121.223 0.001 0.000 1.988 774 L HA -0.153 4.194 4.340 0.012 0.000 0.207 774 L C 2.627 179.507 176.870 0.017 0.000 1.071 774 L CA 1.118 55.960 54.840 0.003 0.000 0.744 774 L CB -0.570 41.484 42.059 -0.008 0.000 0.893 774 L HN 0.182 nan 8.230 nan 0.000 0.433 775 Q N 0.268 120.081 119.800 0.021 0.000 2.297 775 Q HA -0.144 4.203 4.340 0.012 0.000 0.208 775 Q C -0.015 176.005 176.000 0.034 0.000 0.981 775 Q CA 0.787 56.612 55.803 0.037 0.000 0.876 775 Q CB 0.146 28.903 28.738 0.032 0.000 0.921 775 Q HN 0.391 nan 8.270 nan 0.000 0.446 776 N N 0.905 119.619 118.700 0.024 0.000 2.602 776 N HA 0.017 4.764 4.740 0.012 0.000 0.238 776 N C -0.654 174.868 175.510 0.021 0.000 1.084 776 N CA 0.746 53.809 53.050 0.022 0.000 0.952 776 N CB 1.081 39.577 38.487 0.016 0.000 1.244 776 N HN 0.288 nan 8.380 nan 0.000 0.512 777 S N 0.601 116.316 115.700 0.026 0.000 3.476 777 S HA -0.285 4.192 4.470 0.012 0.000 0.309 777 S C 0.665 175.278 174.600 0.022 0.000 1.222 777 S CA 1.430 59.644 58.200 0.024 0.000 0.922 777 S CB -1.877 61.335 63.200 0.020 0.000 1.023 777 S HN 0.720 nan 8.310 nan 0.000 0.591 778 Q N -0.654 119.160 119.800 0.023 0.000 2.101 778 Q HA 0.575 4.922 4.340 0.012 0.000 0.236 778 Q C -0.002 176.008 176.000 0.018 0.000 0.772 778 Q CA -0.081 55.732 55.803 0.017 0.000 0.944 778 Q CB 0.654 29.398 28.738 0.010 0.000 1.171 778 Q HN 0.789 nan 8.270 nan 0.000 0.463 779 L N 2.222 123.463 121.223 0.030 0.000 2.362 779 L HA 0.638 4.986 4.340 0.012 0.000 0.271 779 L C -2.399 174.506 176.870 0.058 0.000 1.002 779 L CA -2.205 52.656 54.840 0.035 0.000 0.818 779 L CB 1.680 43.768 42.059 0.049 0.000 1.298 779 L HN -0.025 nan 8.230 nan 0.000 0.420 780 P HA 0.051 nan 4.420 nan 0.000 0.264 780 P C -0.179 177.200 177.300 0.132 0.000 1.193 780 P CA 0.044 63.193 63.100 0.082 0.000 0.763 780 P CB 0.741 32.480 31.700 0.065 0.000 0.810 781 E N 0.434 120.701 120.200 0.112 0.000 2.209 781 E HA -0.077 4.280 4.350 0.012 0.000 0.196 781 E C 0.676 177.354 176.600 0.129 0.000 0.993 781 E CA 0.966 57.432 56.400 0.112 0.000 0.819 781 E CB 0.140 29.886 29.700 0.078 0.000 0.745 781 E HN 0.406 nan 8.360 nan 0.000 0.477 782 S N -0.903 114.877 115.700 0.134 0.000 2.550 782 S HA 0.542 5.019 4.470 0.012 0.000 0.270 782 S C -1.771 172.922 174.600 0.155 0.000 1.145 782 S CA -0.971 57.281 58.200 0.086 0.000 0.852 782 S CB 0.979 64.180 63.200 0.002 0.000 1.119 782 S HN 0.197 nan 8.310 nan 0.000 0.465 783 F N 0.721 120.611 119.950 -0.100 0.000 2.665 783 F HA 0.639 5.171 4.527 0.008 0.000 0.308 783 F C -0.882 174.816 175.800 -0.171 0.000 1.112 783 F CA -1.144 56.780 58.000 -0.128 0.000 0.972 783 F CB 0.937 39.870 39.000 -0.113 0.000 1.295 783 F HN 0.511 nan 8.300 nan 0.000 0.440 784 R N 1.883 122.335 120.500 -0.081 0.000 2.491 784 R HA 0.458 4.805 4.340 0.012 0.000 0.283 784 R C -0.875 175.319 176.300 -0.177 0.000 1.072 784 R CA -0.776 55.196 56.100 -0.213 0.000 1.048 784 R CB 1.436 31.636 30.300 -0.167 0.000 0.983 784 R HN 0.605 nan 8.270 nan 0.000 0.450 785 V N 6.842 126.511 119.914 -0.409 0.000 2.446 785 V HA 0.007 4.134 4.120 0.012 0.000 0.276 785 V C -1.390 174.447 176.094 -0.428 0.000 1.030 785 V CA -0.973 61.045 62.300 -0.471 0.000 1.033 785 V CB 1.091 32.487 31.823 -0.712 0.000 0.993 785 V HN 0.663 nan 8.190 nan 0.000 0.477 786 P HA -0.162 nan 4.420 nan 0.000 0.216 786 P C 1.066 178.224 177.300 -0.236 0.000 1.150 786 P CA 1.456 64.351 63.100 -0.342 0.000 0.837 786 P CB -0.010 31.168 31.700 -0.871 0.000 0.786 787 Y N -2.406 117.827 120.300 -0.112 0.000 2.490 787 Y HA 0.432 4.990 4.550 0.012 0.000 0.281 787 Y C -0.133 175.851 175.900 0.139 0.000 1.174 787 Y CA -0.578 57.569 58.100 0.079 0.000 1.295 787 Y CB -0.514 37.987 38.460 0.068 0.000 1.062 787 Y HN -0.192 nan 8.280 nan 0.000 0.522 788 D N 0.114 120.391 120.400 -0.205 0.000 2.634 788 D HA 0.240 4.887 4.640 0.012 0.000 0.236 788 D C -2.542 173.560 176.300 -0.331 0.000 1.323 788 D CA -1.860 52.063 54.000 -0.128 0.000 0.884 788 D CB 1.101 41.862 40.800 -0.064 0.000 1.496 788 D HN -0.148 nan 8.370 nan 0.000 0.525 789 P HA -0.024 nan 4.420 nan 0.000 0.220 789 P C 1.455 178.508 177.300 -0.412 0.000 1.144 789 P CA 1.045 63.742 63.100 -0.671 0.000 0.800 789 P CB 0.351 31.481 31.700 -0.950 0.000 0.772 790 G N -0.635 107.998 108.800 -0.279 0.000 2.408 790 G HA2 -0.113 3.854 3.960 0.012 0.000 0.217 790 G HA3 -0.113 3.854 3.960 0.012 0.000 0.217 790 G C 0.526 175.282 174.900 -0.241 0.000 1.150 790 G CA 0.160 45.132 45.100 -0.214 0.000 0.776 790 G HN 0.227 nan 8.290 nan 0.000 0.542 791 L N 0.571 121.639 121.223 -0.258 0.000 2.380 791 L HA 0.319 4.666 4.340 0.012 0.000 0.273 791 L C -0.097 176.577 176.870 -0.328 0.000 1.138 791 L CA -0.125 54.555 54.840 -0.267 0.000 0.832 791 L CB 1.284 43.192 42.059 -0.253 0.000 1.124 791 L HN 0.013 nan 8.230 nan 0.000 0.454 792 K N 3.303 123.520 120.400 -0.305 0.000 2.464 792 K HA 0.512 4.839 4.320 0.012 0.000 0.252 792 K C -0.478 175.876 176.600 -0.410 0.000 1.000 792 K CA -0.457 55.619 56.287 -0.352 0.000 0.951 792 K CB 1.779 34.138 32.500 -0.236 0.000 1.183 792 K HN 0.656 nan 8.250 nan 0.000 0.445 793 A N 2.260 124.649 122.820 -0.718 0.000 2.386 793 A HA 0.600 4.927 4.320 0.012 0.000 0.248 793 A C 0.581 177.909 177.584 -0.426 0.000 1.082 793 A CA 0.201 51.807 52.037 -0.717 0.000 0.789 793 A CB 0.620 18.775 19.000 -1.409 0.000 1.025 793 A HN 0.833 nan 8.150 nan 0.000 0.490 794 G N -0.355 108.392 108.800 -0.088 0.000 3.414 794 G HA2 0.582 4.549 3.960 0.012 0.000 0.196 794 G HA3 0.582 4.549 3.960 0.012 0.000 0.196 794 G C 0.360 175.411 174.900 0.251 0.000 1.486 794 G CA 0.220 45.358 45.100 0.064 0.000 0.811 794 G HN 1.410 nan 8.290 nan 0.000 0.704 795 A N -0.587 122.349 122.820 0.193 0.000 2.322 795 A HA 0.659 4.986 4.320 0.012 0.000 0.269 795 A C 0.022 177.705 177.584 0.165 0.000 1.094 795 A CA -0.360 51.787 52.037 0.184 0.000 0.807 795 A CB 0.200 19.260 19.000 0.099 0.000 1.047 795 A HN 0.465 nan 8.150 nan 0.000 0.487 796 L N 0.736 121.990 121.223 0.052 0.000 2.452 796 L HA 0.363 4.710 4.340 0.012 0.000 0.267 796 L C 0.929 177.739 176.870 -0.100 0.000 1.188 796 L CA -0.009 54.717 54.840 -0.191 0.000 0.821 796 L CB 1.009 42.932 42.059 -0.227 0.000 1.102 796 L HN 0.762 nan 8.230 nan 0.000 0.470 797 A N 3.720 126.461 122.820 -0.132 0.000 2.969 797 A HA 0.375 4.702 4.320 0.012 0.000 0.328 797 A C 1.096 178.662 177.584 -0.030 0.000 1.355 797 A CA -0.439 51.574 52.037 -0.040 0.000 1.018 797 A CB -0.453 18.548 19.000 0.002 0.000 1.159 797 A HN 0.802 nan 8.150 nan 0.000 0.505 798 I N 0.041 120.592 120.570 -0.030 0.000 2.399 798 I HA -0.295 3.882 4.170 0.012 0.000 0.254 798 I C 1.933 178.057 176.117 0.011 0.000 1.146 798 I CA 1.379 62.669 61.300 -0.016 0.000 1.412 798 I CB -0.175 37.818 38.000 -0.011 0.000 1.076 798 I HN 0.528 nan 8.210 nan 0.000 0.432 799 E N 1.205 121.415 120.200 0.017 0.000 2.150 799 E HA -0.166 4.191 4.350 0.012 0.000 0.193 799 E C 1.901 178.525 176.600 0.040 0.000 0.985 799 E CA 1.052 57.467 56.400 0.024 0.000 0.814 799 E CB -0.128 29.586 29.700 0.023 0.000 0.752 799 E HN 0.464 nan 8.360 nan 0.000 0.466 800 K N -0.403 120.037 120.400 0.068 0.000 2.379 800 K HA 0.168 4.496 4.320 0.012 0.000 0.194 800 K C -0.035 176.686 176.600 0.203 0.000 1.031 800 K CA -0.035 56.328 56.287 0.127 0.000 1.037 800 K CB 0.345 32.955 32.500 0.184 0.000 0.824 800 K HN 0.063 nan 8.250 nan 0.000 0.516 801 C N 3.112 122.501 119.300 0.148 0.000 2.593 801 C HA 0.230 4.697 4.460 0.012 0.000 0.409 801 C C 0.351 175.425 174.990 0.140 0.000 1.304 801 C CA -0.538 58.590 59.018 0.185 0.000 2.007 801 C CB -0.817 26.963 27.740 0.067 0.000 2.614 801 C HN 0.479 nan 8.230 nan 0.000 0.585 802 K N 0.987 121.502 120.400 0.192 0.000 2.571 802 K HA 0.739 5.066 4.320 0.012 0.000 0.289 802 K C -1.991 174.693 176.600 0.139 0.000 1.028 802 K CA -0.830 55.516 56.287 0.097 0.000 0.895 802 K CB 0.853 33.343 32.500 -0.017 0.000 1.534 802 K HN 0.179 nan 8.250 nan 0.000 0.421 803 V N 2.364 122.328 119.914 0.084 0.000 2.370 803 V HA 0.299 4.426 4.120 0.012 0.000 0.279 803 V C 0.067 176.206 176.094 0.075 0.000 1.029 803 V CA -0.724 61.634 62.300 0.097 0.000 0.870 803 V CB 0.922 32.787 31.823 0.071 0.000 0.984 803 V HN 0.674 nan 8.190 nan 0.000 0.451 804 M N 3.224 122.891 119.600 0.112 0.000 2.245 804 M HA 0.317 4.804 4.480 0.012 0.000 0.330 804 M C 0.938 177.269 176.300 0.052 0.000 1.098 804 M CA -0.016 55.333 55.300 0.080 0.000 1.172 804 M CB 0.584 33.270 32.600 0.144 0.000 1.467 804 M HN 0.681 nan 8.290 nan 0.000 0.454 805 A N 2.119 124.954 122.820 0.025 0.000 3.033 805 A HA 0.286 4.613 4.320 0.012 0.000 0.250 805 A C 0.263 177.864 177.584 0.028 0.000 1.633 805 A CA 0.026 52.075 52.037 0.019 0.000 1.290 805 A CB -0.583 18.418 19.000 0.002 0.000 1.048 805 A HN 0.699 nan 8.150 nan 0.000 0.648 806 S N -0.724 115.001 115.700 0.042 0.000 2.634 806 S HA 0.441 4.918 4.470 0.012 0.000 0.296 806 S C 0.660 175.285 174.600 0.041 0.000 1.104 806 S CA -0.687 57.539 58.200 0.043 0.000 0.920 806 S CB 1.210 64.445 63.200 0.059 0.000 1.111 806 S HN 0.428 nan 8.310 nan 0.000 0.493 807 K N 0.908 121.326 120.400 0.030 0.000 2.504 807 K HA 0.123 4.451 4.320 0.012 0.000 0.195 807 K C 0.795 177.413 176.600 0.030 0.000 1.036 807 K CA 0.643 56.943 56.287 0.021 0.000 0.984 807 K CB 0.029 32.531 32.500 0.003 0.000 0.788 807 K HN 0.453 nan 8.250 nan 0.000 0.488 808 K N 0.564 120.990 120.400 0.043 0.000 2.387 808 K HA 0.108 4.435 4.320 0.012 0.000 0.203 808 K C -0.606 176.047 176.600 0.088 0.000 1.030 808 K CA -0.107 56.212 56.287 0.054 0.000 1.099 808 K CB 0.649 33.170 32.500 0.035 0.000 0.863 808 K HN -0.087 nan 8.250 nan 0.000 0.529 809 K N 1.104 121.554 120.400 0.084 0.000 3.451 809 K HA -0.153 4.174 4.320 0.012 0.000 0.273 809 K C -2.849 173.828 176.600 0.128 0.000 0.944 809 K CA 0.029 56.373 56.287 0.096 0.000 0.734 809 K CB -1.486 31.065 32.500 0.085 0.000 1.437 809 K HN 0.192 nan 8.250 nan 0.000 0.454 810 P HA 0.055 nan 4.420 nan 0.000 0.275 810 P C 0.001 177.424 177.300 0.206 0.000 1.227 810 P CA -0.302 62.904 63.100 0.177 0.000 0.781 810 P CB 0.665 32.463 31.700 0.162 0.000 0.906 811 L N 2.850 124.217 121.223 0.240 0.000 2.331 811 L HA 0.262 4.610 4.340 0.012 0.000 0.278 811 L C 0.327 177.380 176.870 0.303 0.000 1.106 811 L CA -0.278 54.711 54.840 0.249 0.000 0.824 811 L CB 0.489 42.680 42.059 0.219 0.000 1.142 811 L HN 0.446 nan 8.230 nan 0.000 0.443 812 W N 7.017 128.381 121.300 0.108 0.000 2.288 812 W HA 0.464 5.130 4.660 0.009 0.000 0.325 812 W C -1.720 174.851 176.519 0.087 0.000 1.019 812 W CA -0.655 56.750 57.345 0.100 0.000 1.403 812 W CB 0.700 30.201 29.460 0.068 0.000 1.226 812 W HN 0.368 nan 8.180 nan 0.000 0.391 813 L N 5.610 126.830 121.223 -0.005 0.000 2.330 813 L HA 0.528 4.876 4.340 0.012 0.000 0.271 813 L C 0.121 176.924 176.870 -0.112 0.000 1.013 813 L CA -0.829 54.006 54.840 -0.008 0.000 0.816 813 L CB 2.079 44.190 42.059 0.087 0.000 1.287 813 L HN 0.213 nan 8.230 nan 0.000 0.435 814 E N 2.113 122.208 120.200 -0.175 0.000 2.275 814 E HA 0.506 4.863 4.350 0.012 0.000 0.270 814 E C -1.555 174.895 176.600 -0.250 0.000 0.882 814 E CA -0.416 55.937 56.400 -0.078 0.000 0.758 814 E CB 2.797 32.530 29.700 0.055 0.000 1.195 814 E HN 0.223 nan 8.360 nan 0.000 0.419 815 F N 0.821 120.806 119.950 0.060 0.000 2.556 815 F HA 0.420 4.953 4.527 0.011 0.000 0.327 815 F C 0.683 176.494 175.800 0.019 0.000 1.059 815 F CA -0.936 57.094 58.000 0.050 0.000 0.953 815 F CB 1.453 40.477 39.000 0.040 0.000 1.227 815 F HN -0.001 nan 8.300 nan 0.000 0.478 816 K N 0.548 121.068 120.400 0.200 0.000 2.143 816 K HA 0.359 4.686 4.320 0.012 0.000 0.272 816 K C -0.824 175.812 176.600 0.060 0.000 1.001 816 K CA -0.710 55.639 56.287 0.103 0.000 0.915 816 K CB 1.517 34.061 32.500 0.073 0.000 1.047 816 K HN 0.667 nan 8.250 nan 0.000 0.458 817 C N 2.787 122.097 119.300 0.016 0.000 2.651 817 C HA 0.132 4.599 4.460 0.012 0.000 0.410 817 C C 1.673 176.636 174.990 -0.045 0.000 1.372 817 C CA -0.198 58.795 59.018 -0.040 0.000 1.707 817 C CB -1.257 26.457 27.740 -0.042 0.000 2.501 817 C HN 0.924 nan 8.230 nan 0.000 0.598 818 A N 4.019 126.790 122.820 -0.081 0.000 2.209 818 A HA 0.032 4.360 4.320 0.012 0.000 0.212 818 A C 0.961 178.509 177.584 -0.061 0.000 1.158 818 A CA 0.801 52.800 52.037 -0.063 0.000 0.742 818 A CB -0.293 18.655 19.000 -0.087 0.000 0.790 818 A HN 0.923 nan 8.150 nan 0.000 0.472 819 D N -0.433 119.922 120.400 -0.076 0.000 2.313 819 D HA 0.305 4.952 4.640 0.012 0.000 0.239 819 D C -1.759 174.508 176.300 -0.055 0.000 1.142 819 D CA -1.979 51.975 54.000 -0.075 0.000 0.847 819 D CB 1.436 42.173 40.800 -0.105 0.000 1.082 819 D HN 0.005 nan 8.370 nan 0.000 0.480 820 P HA -0.098 nan 4.420 nan 0.000 0.217 820 P C 1.235 178.515 177.300 -0.034 0.000 1.150 820 P CA 1.251 64.335 63.100 -0.028 0.000 0.832 820 P CB 0.036 31.724 31.700 -0.019 0.000 0.787 821 T N -3.126 111.398 114.554 -0.051 0.000 3.163 821 T HA 0.181 4.538 4.350 0.012 0.000 0.260 821 T C 0.923 175.576 174.700 -0.078 0.000 1.156 821 T CA 0.091 62.153 62.100 -0.063 0.000 1.072 821 T CB -1.036 67.778 68.868 -0.090 0.000 0.937 821 T HN 0.081 nan 8.240 nan 0.000 0.528 822 A N 1.011 123.790 122.820 -0.069 0.000 2.561 822 A HA 0.453 4.781 4.320 0.012 0.000 0.234 822 A C 1.094 178.648 177.584 -0.051 0.000 1.055 822 A CA -0.395 51.604 52.037 -0.063 0.000 0.756 822 A CB -0.085 18.886 19.000 -0.048 0.000 0.986 822 A HN 0.329 nan 8.150 nan 0.000 0.505 823 L N 2.324 123.514 121.223 -0.055 0.000 2.004 823 L HA 0.042 4.389 4.340 0.012 0.000 0.205 823 L C 2.038 178.888 176.870 -0.034 0.000 1.089 823 L CA 2.209 57.010 54.840 -0.066 0.000 0.756 823 L CB -1.044 40.945 42.059 -0.117 0.000 0.900 823 L HN 0.794 nan 8.230 nan 0.000 0.440 824 S N -0.558 115.133 115.700 -0.014 0.000 2.589 824 S HA -0.012 4.466 4.470 0.012 0.000 0.265 824 S C 0.736 175.343 174.600 0.011 0.000 1.342 824 S CA -0.095 58.108 58.200 0.005 0.000 1.005 824 S CB 0.186 63.402 63.200 0.026 0.000 0.909 824 S HN 0.376 nan 8.310 nan 0.000 0.555 825 N N 0.969 119.680 118.700 0.020 0.000 2.235 825 N HA 0.188 4.935 4.740 0.012 0.000 0.209 825 N C -0.494 175.039 175.510 0.039 0.000 1.122 825 N CA -0.104 52.961 53.050 0.025 0.000 0.845 825 N CB 0.328 38.829 38.487 0.023 0.000 1.004 825 N HN 0.591 nan 8.380 nan 0.000 0.499 826 E N 0.760 120.987 120.200 0.046 0.000 2.415 826 E HA -0.002 4.355 4.350 0.012 0.000 0.262 826 E C 0.289 176.929 176.600 0.067 0.000 1.038 826 E CA 0.331 56.769 56.400 0.062 0.000 0.921 826 E CB 0.563 30.305 29.700 0.069 0.000 0.950 826 E HN 0.264 nan 8.360 nan 0.000 0.438 827 T N -0.323 114.281 114.554 0.083 0.000 2.899 827 T HA 0.414 4.771 4.350 0.012 0.000 0.284 827 T C 0.443 175.205 174.700 0.104 0.000 1.004 827 T CA -0.735 61.423 62.100 0.096 0.000 1.043 827 T CB 0.560 69.491 68.868 0.105 0.000 1.013 827 T HN 0.265 nan 8.240 nan 0.000 0.518 828 I N 1.917 122.566 120.570 0.131 0.000 2.337 828 I HA 0.393 4.571 4.170 0.012 0.000 0.291 828 I C 1.092 177.320 176.117 0.186 0.000 1.046 828 I CA -0.494 60.887 61.300 0.135 0.000 1.324 828 I CB 0.595 38.644 38.000 0.081 0.000 1.409 828 I HN 0.892 nan 8.210 nan 0.000 0.494 829 G N 7.764 116.621 108.800 0.095 0.000 2.322 829 G HA2 0.703 4.670 3.960 0.012 0.000 0.309 829 G HA3 0.703 4.670 3.960 0.012 0.000 0.309 829 G C -0.611 174.291 174.900 0.002 0.000 1.121 829 G CA -0.367 44.704 45.100 -0.047 0.000 0.886 829 G HN 0.531 nan 8.290 nan 0.000 0.447 830 I N 2.431 123.012 120.570 0.018 0.000 2.534 830 I HA 0.318 4.495 4.170 0.012 0.000 0.288 830 I C -0.532 175.594 176.117 0.016 0.000 1.077 830 I CA -0.696 60.669 61.300 0.108 0.000 1.051 830 I CB 2.524 40.739 38.000 0.357 0.000 1.234 830 I HN 0.236 nan 8.210 nan 0.000 0.425 831 I N 5.597 126.137 120.570 -0.050 0.000 2.321 831 I HA 0.290 4.467 4.170 0.012 0.000 0.291 831 I C -0.804 175.343 176.117 0.049 0.000 0.998 831 I CA -0.326 60.983 61.300 0.015 0.000 1.227 831 I CB 0.922 38.910 38.000 -0.021 0.000 1.368 831 I HN 0.355 nan 8.210 nan 0.000 0.466 832 F N 6.735 126.740 119.950 0.091 0.000 2.405 832 F HA 0.426 4.961 4.527 0.014 0.000 0.355 832 F C 0.301 176.168 175.800 0.111 0.000 1.121 832 F CA -0.227 57.834 58.000 0.103 0.000 1.112 832 F CB 1.070 40.135 39.000 0.108 0.000 1.126 832 F HN 0.332 nan 8.300 nan 0.000 0.481 833 K N 3.513 124.046 120.400 0.222 0.000 2.468 833 K HA 0.379 4.706 4.320 0.012 0.000 0.252 833 K C -1.904 174.837 176.600 0.234 0.000 0.932 833 K CA -0.804 55.603 56.287 0.201 0.000 0.794 833 K CB 1.394 33.967 32.500 0.121 0.000 1.241 833 K HN 0.745 nan 8.250 nan 0.000 0.428 834 H N 1.461 120.612 119.070 0.134 0.000 2.572 834 H HA 0.580 5.143 4.556 0.012 0.000 0.359 834 H C 0.398 175.781 175.328 0.093 0.000 1.134 834 H CA 0.824 56.940 56.048 0.113 0.000 1.187 834 H CB 2.043 31.872 29.762 0.112 0.000 1.597 834 H HN 0.767 nan 8.280 nan 0.000 0.524 835 G N 3.683 112.084 108.800 -0.664 0.000 2.797 835 G HA2 -0.168 3.799 3.960 0.012 0.000 0.195 835 G HA3 -0.168 3.799 3.960 0.012 0.000 0.195 835 G C -0.572 174.217 174.900 -0.185 0.000 1.026 835 G CA 0.021 44.824 45.100 -0.494 0.000 0.759 835 G HN 0.653 nan 8.290 nan 0.000 0.475 836 D N 0.599 120.959 120.400 -0.067 0.000 2.272 836 D HA 0.543 5.190 4.640 0.012 0.000 0.247 836 D C -0.994 175.326 176.300 0.034 0.000 0.990 836 D CA -0.343 53.669 54.000 0.019 0.000 0.931 836 D CB 1.711 42.564 40.800 0.087 0.000 1.195 836 D HN 0.068 nan 8.370 nan 0.000 0.477 837 D N 0.946 121.374 120.400 0.048 0.000 2.422 837 D HA 0.120 4.767 4.640 0.012 0.000 0.227 837 D C 0.719 177.049 176.300 0.050 0.000 1.190 837 D CA -0.118 53.910 54.000 0.047 0.000 0.905 837 D CB 0.230 41.052 40.800 0.038 0.000 1.034 837 D HN 0.251 nan 8.370 nan 0.000 0.507 838 L N 2.987 124.240 121.223 0.050 0.000 2.622 838 L HA 0.032 4.379 4.340 0.012 0.000 0.233 838 L C 2.227 179.112 176.870 0.025 0.000 1.156 838 L CA 0.285 55.153 54.840 0.047 0.000 0.866 838 L CB -0.080 42.006 42.059 0.044 0.000 0.980 838 L HN 0.340 nan 8.230 nan 0.000 0.448 839 R N -0.261 120.245 120.500 0.010 0.000 2.115 839 R HA -0.142 4.205 4.340 0.012 0.000 0.230 839 R C 2.139 178.412 176.300 -0.044 0.000 1.111 839 R CA 1.085 57.169 56.100 -0.028 0.000 0.976 839 R CB -0.141 30.139 30.300 -0.033 0.000 0.870 839 R HN 0.506 nan 8.270 nan 0.000 0.445 840 Q N 0.372 120.163 119.800 -0.014 0.000 2.119 840 Q HA -0.153 4.195 4.340 0.012 0.000 0.201 840 Q C 1.220 177.214 176.000 -0.010 0.000 0.972 840 Q CA 1.599 57.392 55.803 -0.016 0.000 0.847 840 Q CB 0.011 28.762 28.738 0.021 0.000 0.903 840 Q HN 0.353 nan 8.270 nan 0.000 0.433 841 D N 0.361 120.783 120.400 0.037 0.000 2.117 841 D HA -0.127 4.520 4.640 0.012 0.000 0.198 841 D C 1.793 178.070 176.300 -0.038 0.000 0.982 841 D CA 1.119 55.162 54.000 0.071 0.000 0.828 841 D CB 0.027 40.911 40.800 0.141 0.000 0.967 841 D HN 0.166 nan 8.370 nan 0.000 0.464 842 M N -0.091 119.476 119.600 -0.055 0.000 2.080 842 M HA -0.158 4.330 4.480 0.012 0.000 0.260 842 M C 2.113 178.312 176.300 -0.168 0.000 1.068 842 M CA 1.261 56.497 55.300 -0.107 0.000 1.109 842 M CB -0.389 32.139 32.600 -0.119 0.000 1.342 842 M HN 0.080 nan 8.290 nan 0.000 0.405 843 L N -0.015 121.107 121.223 -0.168 0.000 1.994 843 L HA -0.239 4.108 4.340 0.012 0.000 0.208 843 L C 2.524 179.278 176.870 -0.192 0.000 1.071 843 L CA 0.911 55.643 54.840 -0.180 0.000 0.745 843 L CB -0.677 41.287 42.059 -0.158 0.000 0.892 843 L HN 0.296 nan 8.230 nan 0.000 0.431 844 I N 0.035 120.475 120.570 -0.216 0.000 2.118 844 I HA -0.326 3.851 4.170 0.012 0.000 0.241 844 I C 2.579 178.483 176.117 -0.355 0.000 1.070 844 I CA 1.841 62.949 61.300 -0.321 0.000 1.327 844 I CB -1.083 36.607 38.000 -0.517 0.000 1.034 844 I HN 0.275 nan 8.210 nan 0.000 0.405 845 L N -0.089 120.936 121.223 -0.330 0.000 2.042 845 L HA -0.264 4.084 4.340 0.012 0.000 0.210 845 L C 2.676 179.410 176.870 -0.227 0.000 1.076 845 L CA 1.341 56.009 54.840 -0.286 0.000 0.749 845 L CB -0.613 41.287 42.059 -0.266 0.000 0.893 845 L HN 0.264 nan 8.230 nan 0.000 0.432 846 Q N 0.226 119.903 119.800 -0.204 0.000 2.124 846 Q HA -0.190 4.157 4.340 0.012 0.000 0.202 846 Q C 2.103 177.982 176.000 -0.201 0.000 0.977 846 Q CA 1.614 57.305 55.803 -0.186 0.000 0.850 846 Q CB -0.053 28.573 28.738 -0.186 0.000 0.901 846 Q HN 0.337 nan 8.270 nan 0.000 0.429 847 I N 0.151 120.603 120.570 -0.196 0.000 2.226 847 I HA -0.264 3.914 4.170 0.012 0.000 0.245 847 I C 2.130 178.101 176.117 -0.243 0.000 1.100 847 I CA 1.168 62.355 61.300 -0.189 0.000 1.374 847 I CB -1.163 36.748 38.000 -0.148 0.000 1.057 847 I HN 0.309 nan 8.210 nan 0.000 0.413 848 L N 0.107 121.182 121.223 -0.247 0.000 2.012 848 L HA -0.226 4.121 4.340 0.012 0.000 0.210 848 L C 2.793 179.504 176.870 -0.265 0.000 1.073 848 L CA 1.455 56.140 54.840 -0.260 0.000 0.748 848 L CB -0.684 41.243 42.059 -0.219 0.000 0.891 848 L HN 0.202 nan 8.230 nan 0.000 0.431 849 R N 0.004 120.366 120.500 -0.229 0.000 2.105 849 R HA -0.134 4.213 4.340 0.012 0.000 0.239 849 R C 2.267 178.347 176.300 -0.367 0.000 1.135 849 R CA 1.289 57.259 56.100 -0.217 0.000 0.967 849 R CB -0.362 29.852 30.300 -0.143 0.000 0.861 849 R HN 0.374 nan 8.270 nan 0.000 0.442 850 I N 0.520 120.841 120.570 -0.415 0.000 2.252 850 I HA -0.271 3.906 4.170 0.012 0.000 0.245 850 I C 2.365 178.190 176.117 -0.486 0.000 1.102 850 I CA 1.290 62.291 61.300 -0.498 0.000 1.385 850 I CB -0.125 37.663 38.000 -0.353 0.000 1.064 850 I HN 0.195 nan 8.210 nan 0.000 0.414 851 M N -0.172 119.118 119.600 -0.515 0.000 2.213 851 M HA -0.203 4.284 4.480 0.012 0.000 0.263 851 M C 2.066 177.828 176.300 -0.896 0.000 1.062 851 M CA 1.660 56.473 55.300 -0.810 0.000 1.105 851 M CB -0.420 31.644 32.600 -0.893 0.000 1.385 851 M HN 0.216 nan 8.290 nan 0.000 0.417 852 E N 0.309 120.233 120.200 -0.460 0.000 2.015 852 E HA -0.161 4.196 4.350 0.012 0.000 0.191 852 E C 2.133 178.685 176.600 -0.080 0.000 0.991 852 E CA 1.826 58.158 56.400 -0.113 0.000 0.802 852 E CB -0.125 29.553 29.700 -0.037 0.000 0.759 852 E HN 0.542 nan 8.360 nan 0.000 0.447 853 S N 1.156 116.741 115.700 -0.192 0.000 2.383 853 S HA -0.179 4.299 4.470 0.012 0.000 0.229 853 S C 2.101 176.624 174.600 -0.128 0.000 1.030 853 S CA 0.902 59.027 58.200 -0.126 0.000 1.002 853 S CB -0.618 62.423 63.200 -0.264 0.000 0.829 853 S HN 0.184 nan 8.310 nan 0.000 0.467 854 I N -0.237 120.153 120.570 -0.300 0.000 2.208 854 I HA -0.157 4.020 4.170 0.012 0.000 0.245 854 I C 2.447 178.486 176.117 -0.129 0.000 1.097 854 I CA 1.366 62.435 61.300 -0.384 0.000 1.363 854 I CB -0.420 37.170 38.000 -0.684 0.000 1.051 854 I HN 0.380 nan 8.210 nan 0.000 0.413 855 W N 1.183 122.423 121.300 -0.099 0.000 2.465 855 W HA -0.135 4.532 4.660 0.012 0.000 0.268 855 W C 2.468 179.018 176.519 0.053 0.000 1.242 855 W CA 0.939 58.264 57.345 -0.033 0.000 1.248 855 W CB -0.768 28.654 29.460 -0.063 0.000 1.118 855 W HN 0.325 nan 8.180 nan 0.000 0.587 856 E N 0.246 120.604 120.200 0.265 0.000 2.150 856 E HA -0.185 4.173 4.350 0.012 0.000 0.193 856 E C 2.114 178.822 176.600 0.180 0.000 0.985 856 E CA 2.027 58.584 56.400 0.261 0.000 0.814 856 E CB 0.017 29.830 29.700 0.189 0.000 0.752 856 E HN 0.169 nan 8.360 nan 0.000 0.466 857 T N -1.075 113.564 114.554 0.141 0.000 2.915 857 T HA -0.065 4.292 4.350 0.012 0.000 0.269 857 T C 1.310 176.098 174.700 0.146 0.000 1.071 857 T CA 0.809 62.984 62.100 0.125 0.000 1.132 857 T CB -0.018 68.927 68.868 0.128 0.000 0.878 857 T HN 0.062 nan 8.240 nan 0.000 0.479 858 E N 1.128 121.442 120.200 0.191 0.000 2.465 858 E HA 0.226 4.583 4.350 0.012 0.000 0.191 858 E C 0.756 177.462 176.600 0.177 0.000 1.053 858 E CA 0.151 56.662 56.400 0.185 0.000 0.869 858 E CB -0.007 29.825 29.700 0.221 0.000 0.977 858 E HN 0.541 nan 8.360 nan 0.000 0.483 859 S N -0.012 115.811 115.700 0.205 0.000 3.380 859 S HA -0.186 4.291 4.470 0.012 0.000 0.300 859 S C 0.384 175.238 174.600 0.424 0.000 1.255 859 S CA 0.426 58.773 58.200 0.245 0.000 0.963 859 S CB -1.685 61.589 63.200 0.123 0.000 1.106 859 S HN 0.307 nan 8.310 nan 0.000 0.629 860 L N 1.376 122.786 121.223 0.311 0.000 2.357 860 L HA 0.592 4.940 4.340 0.012 0.000 0.273 860 L C 0.192 177.028 176.870 -0.056 0.000 1.080 860 L CA -0.369 54.533 54.840 0.104 0.000 0.803 860 L CB 0.900 42.925 42.059 -0.056 0.000 1.174 860 L HN 0.072 nan 8.230 nan 0.000 0.443 861 D N 2.845 123.032 120.400 -0.354 0.000 2.389 861 D HA 0.276 4.924 4.640 0.012 0.000 0.256 861 D C -1.103 174.992 176.300 -0.341 0.000 1.239 861 D CA -0.395 53.262 54.000 -0.572 0.000 0.925 861 D CB 0.807 40.854 40.800 -1.255 0.000 1.145 861 D HN 0.050 nan 8.370 nan 0.000 0.542 862 L N 2.799 123.851 121.223 -0.285 0.000 2.292 862 L HA 0.299 4.647 4.340 0.012 0.000 0.284 862 L C 0.529 177.336 176.870 -0.104 0.000 1.065 862 L CA -0.507 54.195 54.840 -0.231 0.000 0.806 862 L CB 1.166 42.905 42.059 -0.533 0.000 1.175 862 L HN 0.567 nan 8.230 nan 0.000 0.431 863 C N 5.125 124.396 119.300 -0.048 0.000 3.089 863 C HA 0.268 4.736 4.460 0.012 0.000 0.548 863 C C 1.168 176.205 174.990 0.078 0.000 1.205 863 C CA -0.866 58.148 59.018 -0.007 0.000 1.398 863 C CB -1.876 25.864 27.740 0.001 0.000 1.764 863 C HN 0.500 nan 8.230 nan 0.000 0.638 864 L N 1.058 122.298 121.223 0.028 0.000 2.473 864 L HA 0.166 4.513 4.340 0.012 0.000 0.268 864 L C 0.285 177.250 176.870 0.158 0.000 1.215 864 L CA -0.118 54.738 54.840 0.026 0.000 0.823 864 L CB 0.274 42.230 42.059 -0.173 0.000 1.099 864 L HN 0.203 nan 8.230 nan 0.000 0.483 865 L N 3.888 125.306 121.223 0.324 0.000 2.581 865 L HA 0.362 4.709 4.340 0.012 0.000 0.241 865 L C -2.159 174.826 176.870 0.191 0.000 1.265 865 L CA -1.536 53.409 54.840 0.176 0.000 0.954 865 L CB 0.516 42.551 42.059 -0.039 0.000 1.269 865 L HN 0.258 nan 8.230 nan 0.000 0.475 866 P HA 0.159 nan 4.420 nan 0.000 0.244 866 P C -0.734 176.492 177.300 -0.124 0.000 1.769 866 P CA -0.184 62.863 63.100 -0.088 0.000 1.102 866 P CB -0.661 30.994 31.700 -0.075 0.000 1.937 867 Y N -0.102 120.201 120.300 0.005 0.000 2.335 867 Y HA 0.459 5.016 4.550 0.012 0.000 0.348 867 Y C 1.213 177.058 175.900 -0.091 0.000 1.280 867 Y CA -1.157 56.901 58.100 -0.071 0.000 1.504 867 Y CB -0.409 37.978 38.460 -0.122 0.000 1.366 867 Y HN 0.228 nan 8.280 nan 0.000 0.621 868 G N -0.561 108.206 108.800 -0.055 0.000 2.406 868 G HA2 0.333 4.300 3.960 0.012 0.000 0.251 868 G HA3 0.333 4.300 3.960 0.012 0.000 0.251 868 G C -1.343 173.455 174.900 -0.169 0.000 1.271 868 G CA -0.299 44.684 45.100 -0.195 0.000 0.859 868 G HN 1.017 nan 8.290 nan 0.000 0.540 869 C N 5.147 124.434 119.300 -0.021 0.000 2.789 869 C HA 0.509 4.976 4.460 0.012 0.000 0.367 869 C C -0.968 174.061 174.990 0.066 0.000 1.062 869 C CA -1.053 57.974 59.018 0.016 0.000 1.297 869 C CB -0.479 27.286 27.740 0.042 0.000 1.794 869 C HN 0.571 nan 8.230 nan 0.000 0.474 870 I N 4.739 125.336 120.570 0.044 0.000 2.378 870 I HA 0.337 4.515 4.170 0.012 0.000 0.291 870 I C 0.611 176.733 176.117 0.008 0.000 0.992 870 I CA 0.296 61.626 61.300 0.050 0.000 1.154 870 I CB 1.732 39.687 38.000 -0.075 0.000 1.315 870 I HN 0.693 nan 8.210 nan 0.000 0.448 871 S N 3.822 119.562 115.700 0.066 0.000 2.499 871 S HA 0.326 4.804 4.470 0.012 0.000 0.275 871 S C 1.073 175.736 174.600 0.106 0.000 1.257 871 S CA -0.193 58.045 58.200 0.063 0.000 1.050 871 S CB 0.340 63.574 63.200 0.056 0.000 0.937 871 S HN 0.798 nan 8.310 nan 0.000 0.490 872 T N 1.786 116.402 114.554 0.104 0.000 2.964 872 T HA 0.493 4.851 4.350 0.012 0.000 0.249 872 T C 0.856 175.655 174.700 0.165 0.000 1.000 872 T CA 0.308 62.517 62.100 0.182 0.000 0.992 872 T CB 0.243 69.218 68.868 0.178 0.000 1.087 872 T HN 0.716 nan 8.240 nan 0.000 0.489 873 G N 0.609 109.490 108.800 0.135 0.000 2.871 873 G HA2 0.477 4.444 3.960 0.012 0.000 0.282 873 G HA3 0.477 4.444 3.960 0.012 0.000 0.282 873 G C -1.979 172.992 174.900 0.119 0.000 1.212 873 G CA -0.556 44.618 45.100 0.124 0.000 0.812 873 G HN 0.134 nan 8.290 nan 0.000 0.547 874 D N 0.443 120.918 120.400 0.126 0.000 2.325 874 D HA 0.291 4.939 4.640 0.012 0.000 0.251 874 D C 0.444 176.858 176.300 0.189 0.000 1.196 874 D CA 0.029 54.110 54.000 0.135 0.000 0.866 874 D CB 0.362 41.238 40.800 0.127 0.000 1.101 874 D HN 0.468 nan 8.370 nan 0.000 0.476 875 K N 1.895 122.384 120.400 0.149 0.000 3.071 875 K HA -0.219 4.108 4.320 0.012 0.000 0.262 875 K C -0.394 176.334 176.600 0.213 0.000 0.977 875 K CA 0.515 56.881 56.287 0.132 0.000 0.721 875 K CB -1.331 31.219 32.500 0.084 0.000 1.293 875 K HN 0.585 nan 8.250 nan 0.000 0.475 876 I N -1.642 119.043 120.570 0.191 0.000 2.785 876 I HA 0.556 4.734 4.170 0.012 0.000 0.293 876 I C -0.320 175.874 176.117 0.128 0.000 1.446 876 I CA -0.283 61.145 61.300 0.212 0.000 1.028 876 I CB 1.988 40.156 38.000 0.281 0.000 1.349 876 I HN 0.180 nan 8.210 nan 0.000 0.438 877 G N 6.101 114.941 108.800 0.067 0.000 2.340 877 G HA2 0.460 4.427 3.960 0.012 0.000 0.299 877 G HA3 0.460 4.427 3.960 0.012 0.000 0.299 877 G C -1.750 172.974 174.900 -0.292 0.000 1.291 877 G CA -0.708 44.351 45.100 -0.068 0.000 0.841 877 G HN 0.722 nan 8.290 nan 0.000 0.500 878 M N -0.487 118.890 119.600 -0.371 0.000 2.664 878 M HA 0.859 5.347 4.480 0.012 0.000 0.314 878 M C -1.084 175.100 176.300 -0.195 0.000 1.200 878 M CA -0.979 54.037 55.300 -0.473 0.000 0.916 878 M CB 2.260 34.494 32.600 -0.611 0.000 1.717 878 M HN 0.325 nan 8.290 nan 0.000 0.470 879 I N 0.766 121.235 120.570 -0.168 0.000 2.730 879 I HA 0.396 4.574 4.170 0.012 0.000 0.298 879 I C -0.486 175.468 176.117 -0.271 0.000 1.089 879 I CA -0.382 60.829 61.300 -0.149 0.000 1.041 879 I CB 1.972 39.928 38.000 -0.073 0.000 1.235 879 I HN 0.927 nan 8.210 nan 0.000 0.423 880 E N 5.150 125.062 120.200 -0.479 0.000 2.338 880 E HA 0.329 4.686 4.350 0.012 0.000 0.272 880 E C -0.929 175.496 176.600 -0.292 0.000 1.029 880 E CA -0.446 55.630 56.400 -0.540 0.000 0.872 880 E CB 1.050 30.306 29.700 -0.740 0.000 1.015 880 E HN 0.429 nan 8.360 nan 0.000 0.417 881 I N 5.175 125.613 120.570 -0.221 0.000 2.322 881 I HA 0.077 4.254 4.170 0.012 0.000 0.292 881 I C -0.255 175.787 176.117 -0.125 0.000 1.060 881 I CA -0.705 60.445 61.300 -0.249 0.000 1.309 881 I CB 1.209 38.936 38.000 -0.453 0.000 1.415 881 I HN 0.328 nan 8.210 nan 0.000 0.492 882 V N 7.721 127.569 119.914 -0.110 0.000 2.508 882 V HA 0.076 4.203 4.120 0.012 0.000 0.281 882 V C 0.657 176.793 176.094 0.071 0.000 1.041 882 V CA -0.613 61.652 62.300 -0.059 0.000 1.016 882 V CB 0.419 32.112 31.823 -0.217 0.000 0.984 882 V HN 0.544 nan 8.190 nan 0.000 0.478 883 K N 3.510 123.961 120.400 0.085 0.000 2.382 883 K HA 0.110 4.437 4.320 0.012 0.000 0.275 883 K C 0.327 177.033 176.600 0.177 0.000 1.009 883 K CA 0.060 56.432 56.287 0.141 0.000 0.970 883 K CB 0.168 32.739 32.500 0.118 0.000 0.934 883 K HN 0.783 nan 8.250 nan 0.000 0.479 884 D N -0.685 119.842 120.400 0.212 0.000 2.746 884 D HA -0.190 4.458 4.640 0.012 0.000 0.236 884 D C -0.624 175.851 176.300 0.291 0.000 1.129 884 D CA 1.120 55.256 54.000 0.225 0.000 0.691 884 D CB -1.124 39.783 40.800 0.178 0.000 1.077 884 D HN 0.613 nan 8.370 nan 0.000 0.432 885 A N 0.296 123.296 122.820 0.300 0.000 2.342 885 A HA 0.779 5.106 4.320 0.012 0.000 0.323 885 A C 0.575 178.286 177.584 0.211 0.000 1.125 885 A CA 0.102 52.328 52.037 0.315 0.000 0.785 885 A CB 1.718 20.984 19.000 0.444 0.000 1.221 885 A HN 0.208 nan 8.150 nan 0.000 0.463 886 T N -1.227 113.379 114.554 0.087 0.000 2.906 886 T HA 0.660 5.017 4.350 0.012 0.000 0.295 886 T C -0.014 174.566 174.700 -0.201 0.000 1.075 886 T CA -0.512 61.566 62.100 -0.038 0.000 1.005 886 T CB 1.202 70.053 68.868 -0.028 0.000 1.136 886 T HN 0.482 nan 8.240 nan 0.000 0.498 887 T N 2.805 117.246 114.554 -0.188 0.000 2.930 887 T HA 0.184 4.541 4.350 0.012 0.000 0.306 887 T C 1.593 176.127 174.700 -0.276 0.000 1.045 887 T CA -0.664 61.294 62.100 -0.237 0.000 1.134 887 T CB 0.157 68.918 68.868 -0.179 0.000 0.961 887 T HN 0.498 nan 8.240 nan 0.000 0.545 888 I N 2.161 122.571 120.570 -0.266 0.000 2.226 888 I HA -0.159 4.019 4.170 0.012 0.000 0.245 888 I C 2.670 178.677 176.117 -0.183 0.000 1.100 888 I CA 1.403 62.586 61.300 -0.196 0.000 1.374 888 I CB -1.685 36.277 38.000 -0.064 0.000 1.057 888 I HN 0.763 nan 8.210 nan 0.000 0.413 889 A N 0.603 123.296 122.820 -0.212 0.000 1.972 889 A HA -0.197 4.131 4.320 0.012 0.000 0.219 889 A C 2.335 179.873 177.584 -0.077 0.000 1.169 889 A CA 1.350 53.290 52.037 -0.161 0.000 0.635 889 A CB -0.435 18.454 19.000 -0.184 0.000 0.810 889 A HN 0.369 nan 8.150 nan 0.000 0.446 890 K N -0.420 119.917 120.400 -0.105 0.000 2.148 890 K HA 0.038 4.365 4.320 0.012 0.000 0.204 890 K C 1.637 178.188 176.600 -0.080 0.000 1.050 890 K CA 1.221 57.467 56.287 -0.068 0.000 0.942 890 K CB -0.287 32.168 32.500 -0.075 0.000 0.724 890 K HN 0.535 nan 8.250 nan 0.000 0.446 891 I N 1.409 121.871 120.570 -0.181 0.000 2.454 891 I HA -0.262 3.915 4.170 0.012 0.000 0.254 891 I C 2.281 178.360 176.117 -0.062 0.000 1.156 891 I CA 1.008 62.184 61.300 -0.207 0.000 1.433 891 I CB -0.182 37.534 38.000 -0.474 0.000 1.082 891 I HN 0.218 nan 8.210 nan 0.000 0.432 892 Q N 0.492 120.264 119.800 -0.047 0.000 2.096 892 Q HA -0.143 4.205 4.340 0.012 0.000 0.197 892 Q C 2.084 178.101 176.000 0.028 0.000 0.964 892 Q CA 1.117 56.921 55.803 0.001 0.000 0.838 892 Q CB -0.300 28.445 28.738 0.013 0.000 0.906 892 Q HN 0.600 nan 8.270 nan 0.000 0.444 893 Q N 0.378 120.204 119.800 0.042 0.000 2.364 893 Q HA -0.069 4.278 4.340 0.012 0.000 0.209 893 Q C 2.081 178.102 176.000 0.035 0.000 0.977 893 Q CA 0.949 56.786 55.803 0.057 0.000 0.885 893 Q CB 0.034 28.814 28.738 0.069 0.000 0.941 893 Q HN 0.208 nan 8.270 nan 0.000 0.464 894 S N 0.123 115.842 115.700 0.031 0.000 2.356 894 S HA -0.132 4.345 4.470 0.012 0.000 0.223 894 S C 2.001 176.614 174.600 0.021 0.000 1.032 894 S CA 1.682 59.906 58.200 0.039 0.000 1.005 894 S CB -0.254 62.991 63.200 0.074 0.000 0.867 894 S HN 0.438 nan 8.310 nan 0.000 0.449 895 T N 1.147 115.705 114.554 0.005 0.000 2.735 895 T HA 0.105 4.462 4.350 0.012 0.000 0.256 895 T C 0.563 175.244 174.700 -0.031 0.000 1.042 895 T CA 0.738 62.824 62.100 -0.022 0.000 1.147 895 T CB 0.019 68.858 68.868 -0.049 0.000 0.865 895 T HN 0.136 nan 8.240 nan 0.000 0.421 896 V N 1.648 121.541 119.914 -0.034 0.000 2.340 896 V HA 0.558 4.685 4.120 0.012 0.000 0.277 896 V C 1.083 177.168 176.094 -0.015 0.000 1.017 896 V CA -0.685 61.587 62.300 -0.046 0.000 0.820 896 V CB 0.905 32.668 31.823 -0.100 0.000 1.028 896 V HN 0.503 nan 8.190 nan 0.000 0.436 897 G N 3.211 112.020 108.800 0.014 0.000 2.551 897 G HA2 -0.094 3.873 3.960 0.012 0.000 0.214 897 G HA3 -0.094 3.873 3.960 0.012 0.000 0.214 897 G C 1.208 176.170 174.900 0.104 0.000 1.250 897 G CA 0.648 45.784 45.100 0.059 0.000 0.825 897 G HN 0.560 nan 8.290 nan 0.000 0.549 898 N N 0.703 119.453 118.700 0.083 0.000 2.027 898 N HA -0.098 4.649 4.740 0.012 0.000 0.200 898 N C 1.669 177.317 175.510 0.230 0.000 1.042 898 N CA 1.634 54.759 53.050 0.126 0.000 0.871 898 N CB -0.996 37.532 38.487 0.068 0.000 1.063 898 N HN 0.508 nan 8.380 nan 0.000 0.438 899 T N -2.997 111.599 114.554 0.070 0.000 2.868 899 T HA 0.429 4.787 4.350 0.012 0.000 0.292 899 T C 1.074 175.452 174.700 -0.536 0.000 1.028 899 T CA -0.355 61.708 62.100 -0.062 0.000 1.059 899 T CB 1.380 70.175 68.868 -0.122 0.000 0.991 899 T HN 0.223 nan 8.240 nan 0.000 0.531 900 G N 0.049 108.067 108.800 -1.304 0.000 3.424 900 G HA2 0.449 4.417 3.960 0.012 0.000 0.263 900 G HA3 0.449 4.417 3.960 0.012 0.000 0.263 900 G C 0.586 174.514 174.900 -1.620 0.000 1.310 900 G CA -0.296 43.491 45.100 -2.188 0.000 1.089 900 G HN 1.155 nan 8.290 nan 0.000 0.534 901 A N 0.970 123.252 122.820 -0.898 0.000 2.981 901 A HA 0.554 4.881 4.320 0.012 0.000 0.280 901 A C 0.057 177.276 177.584 -0.608 0.000 1.743 901 A CA -0.605 51.045 52.037 -0.646 0.000 1.430 901 A CB -0.847 17.933 19.000 -0.366 0.000 1.085 901 A HN 0.355 nan 8.150 nan 0.000 0.597 902 F N 0.983 120.552 119.950 -0.636 0.000 2.518 902 F HA 0.232 4.766 4.527 0.012 0.000 0.359 902 F C 0.998 176.323 175.800 -0.792 0.000 1.118 902 F CA 0.265 57.714 58.000 -0.919 0.000 1.287 902 F CB 0.893 38.800 39.000 -1.823 0.000 1.132 902 F HN 0.301 nan 8.300 nan 0.000 0.587 903 K N 1.687 121.904 120.400 -0.305 0.000 2.316 903 K HA 0.190 4.517 4.320 0.012 0.000 0.251 903 K C -0.415 176.204 176.600 0.032 0.000 0.934 903 K CA -0.833 55.367 56.287 -0.146 0.000 0.802 903 K CB 1.873 34.292 32.500 -0.134 0.000 1.171 903 K HN 0.450 nan 8.250 nan 0.000 0.426 904 D N 1.499 121.952 120.400 0.088 0.000 2.224 904 D HA -0.112 4.536 4.640 0.012 0.000 0.205 904 D C 0.721 176.916 176.300 -0.175 0.000 0.965 904 D CA 1.339 55.422 54.000 0.139 0.000 0.852 904 D CB 0.368 41.228 40.800 0.100 0.000 0.947 904 D HN 0.547 nan 8.370 nan 0.000 0.494 905 E N -0.065 119.905 120.200 -0.384 0.000 2.340 905 E HA 0.017 4.374 4.350 0.012 0.000 0.194 905 E C 2.090 178.730 176.600 0.067 0.000 0.996 905 E CA -0.057 55.982 56.400 -0.602 0.000 0.869 905 E CB 0.498 29.866 29.700 -0.553 0.000 0.835 905 E HN 0.028 nan 8.360 nan 0.000 0.493 906 V N 1.887 121.830 119.914 0.049 0.000 2.278 906 V HA -0.303 3.824 4.120 0.012 0.000 0.251 906 V C 2.353 178.603 176.094 0.260 0.000 1.062 906 V CA 1.686 64.058 62.300 0.121 0.000 1.038 906 V CB -0.499 31.352 31.823 0.047 0.000 0.646 906 V HN 0.253 nan 8.190 nan 0.000 0.447 907 L N 0.806 122.166 121.223 0.228 0.000 2.012 907 L HA -0.202 4.145 4.340 0.012 0.000 0.210 907 L C 2.166 179.211 176.870 0.292 0.000 1.073 907 L CA 2.400 57.376 54.840 0.227 0.000 0.748 907 L CB -1.068 41.099 42.059 0.181 0.000 0.891 907 L HN 0.366 nan 8.230 nan 0.000 0.431 908 N N -1.389 117.505 118.700 0.324 0.000 2.223 908 N HA -0.190 4.557 4.740 0.012 0.000 0.185 908 N C 1.833 177.518 175.510 0.292 0.000 1.016 908 N CA 1.433 54.686 53.050 0.338 0.000 0.863 908 N CB -0.108 38.665 38.487 0.475 0.000 0.983 908 N HN 0.565 nan 8.380 nan 0.000 0.429 909 H N -2.161 117.057 119.070 0.247 0.000 2.321 909 H HA -0.046 4.517 4.556 0.012 0.000 0.300 909 H C 1.398 176.843 175.328 0.196 0.000 1.087 909 H CA 1.897 58.047 56.048 0.169 0.000 1.319 909 H CB -0.431 29.404 29.762 0.122 0.000 1.379 909 H HN 0.343 nan 8.280 nan 0.000 0.501 910 W N 1.037 122.459 121.300 0.203 0.000 2.350 910 W HA -0.180 4.487 4.660 0.011 0.000 0.289 910 W C 1.540 178.137 176.519 0.130 0.000 1.215 910 W CA 1.404 58.830 57.345 0.134 0.000 1.236 910 W CB -0.237 29.287 29.460 0.106 0.000 1.130 910 W HN 0.127 nan 8.180 nan 0.000 0.541 911 L N 0.109 121.556 121.223 0.373 0.000 2.044 911 L HA -0.155 4.192 4.340 0.012 0.000 0.205 911 L C 2.493 179.512 176.870 0.249 0.000 1.075 911 L CA 1.364 56.373 54.840 0.282 0.000 0.747 911 L CB -0.869 41.390 42.059 0.333 0.000 0.903 911 L HN -0.170 nan 8.230 nan 0.000 0.435 912 K N -0.071 120.464 120.400 0.226 0.000 2.152 912 K HA -0.254 4.073 4.320 0.012 0.000 0.206 912 K C 2.003 178.560 176.600 -0.071 0.000 1.048 912 K CA 1.545 57.789 56.287 -0.072 0.000 0.933 912 K CB -0.036 32.270 32.500 -0.324 0.000 0.721 912 K HN 0.336 nan 8.250 nan 0.000 0.447 913 E N 0.833 120.987 120.200 -0.078 0.000 2.046 913 E HA -0.141 4.217 4.350 0.012 0.000 0.190 913 E C 1.346 177.832 176.600 -0.191 0.000 0.982 913 E CA 0.891 57.212 56.400 -0.133 0.000 0.800 913 E CB 0.312 29.920 29.700 -0.153 0.000 0.756 913 E HN -0.012 nan 8.360 nan 0.000 0.449 914 K N 0.783 120.999 120.400 -0.307 0.000 2.459 914 K HA 0.059 4.386 4.320 0.012 0.000 0.193 914 K C 0.341 176.856 176.600 -0.142 0.000 1.030 914 K CA 0.264 56.356 56.287 -0.326 0.000 1.026 914 K CB 0.602 32.721 32.500 -0.635 0.000 0.809 914 K HN 0.082 nan 8.250 nan 0.000 0.504 915 S N 0.571 116.237 115.700 -0.057 0.000 2.472 915 S HA 0.435 4.912 4.470 0.012 0.000 0.303 915 S C -2.281 172.319 174.600 -0.001 0.000 1.099 915 S CA -1.334 56.873 58.200 0.011 0.000 1.077 915 S CB 2.215 65.478 63.200 0.106 0.000 1.031 915 S HN -0.203 nan 8.310 nan 0.000 0.487 916 P HA 0.093 nan 4.420 nan 0.000 0.206 916 P C 0.853 178.155 177.300 0.005 0.000 1.198 916 P CA 0.798 63.894 63.100 -0.008 0.000 0.902 916 P CB -0.577 31.119 31.700 -0.007 0.000 0.740 917 T N -0.025 114.539 114.554 0.017 0.000 2.937 917 T HA -0.047 4.311 4.350 0.012 0.000 0.316 917 T C 1.226 175.956 174.700 0.050 0.000 1.079 917 T CA -0.015 62.100 62.100 0.024 0.000 1.131 917 T CB 0.331 69.216 68.868 0.029 0.000 1.000 917 T HN 0.010 nan 8.240 nan 0.000 0.549 918 E N 1.548 121.773 120.200 0.042 0.000 2.268 918 E HA -0.147 4.210 4.350 0.012 0.000 0.195 918 E C 1.906 178.596 176.600 0.151 0.000 0.995 918 E CA 1.452 57.897 56.400 0.074 0.000 0.836 918 E CB -0.007 29.702 29.700 0.016 0.000 0.763 918 E HN 0.989 nan 8.360 nan 0.000 0.491 919 E N 0.515 120.774 120.200 0.098 0.000 2.077 919 E HA -0.198 4.159 4.350 0.012 0.000 0.193 919 E C 1.911 178.568 176.600 0.095 0.000 0.989 919 E CA 1.046 57.501 56.400 0.092 0.000 0.800 919 E CB -0.272 29.462 29.700 0.057 0.000 0.746 919 E HN 0.067 nan 8.360 nan 0.000 0.452 920 K N 0.006 120.460 120.400 0.091 0.000 2.147 920 K HA -0.112 4.216 4.320 0.012 0.000 0.205 920 K C 1.935 178.593 176.600 0.096 0.000 1.049 920 K CA 1.316 57.648 56.287 0.075 0.000 0.936 920 K CB -0.318 32.218 32.500 0.061 0.000 0.722 920 K HN 0.141 nan 8.250 nan 0.000 0.446 921 F N 2.482 122.433 119.950 0.002 0.000 2.126 921 F HA -0.237 4.297 4.527 0.012 0.000 0.299 921 F C 2.204 178.007 175.800 0.006 0.000 1.096 921 F CA 1.510 59.509 58.000 -0.002 0.000 1.255 921 F CB -0.018 38.974 39.000 -0.014 0.000 0.997 921 F HN -0.026 nan 8.300 nan 0.000 0.479 922 Q N 0.476 120.257 119.800 -0.031 0.000 2.119 922 Q HA -0.073 4.274 4.340 0.012 0.000 0.201 922 Q C 2.472 178.410 176.000 -0.103 0.000 0.972 922 Q CA 1.364 57.100 55.803 -0.112 0.000 0.847 922 Q CB -0.922 27.861 28.738 0.074 0.000 0.903 922 Q HN 0.564 nan 8.270 nan 0.000 0.433 923 A N 0.599 123.395 122.820 -0.040 0.000 2.066 923 A HA 0.067 4.394 4.320 0.012 0.000 0.218 923 A C 2.190 179.753 177.584 -0.036 0.000 1.157 923 A CA 1.395 53.420 52.037 -0.020 0.000 0.670 923 A CB -0.277 18.725 19.000 0.003 0.000 0.804 923 A HN 0.323 nan 8.150 nan 0.000 0.453 924 A N -0.711 122.056 122.820 -0.089 0.000 1.935 924 A HA 0.170 4.497 4.320 0.012 0.000 0.214 924 A C 2.123 179.643 177.584 -0.107 0.000 1.178 924 A CA 1.327 53.324 52.037 -0.067 0.000 0.640 924 A CB -0.565 18.399 19.000 -0.060 0.000 0.825 924 A HN 0.284 nan 8.150 nan 0.000 0.447 925 V N 0.157 119.881 119.914 -0.316 0.000 2.307 925 V HA -0.245 3.882 4.120 0.012 0.000 0.245 925 V C 2.513 178.555 176.094 -0.086 0.000 1.045 925 V CA 2.266 64.368 62.300 -0.330 0.000 1.024 925 V CB -0.644 30.809 31.823 -0.617 0.000 0.651 925 V HN 0.792 nan 8.190 nan 0.000 0.449 926 E N 0.321 120.495 120.200 -0.044 0.000 2.077 926 E HA -0.295 4.062 4.350 0.012 0.000 0.193 926 E C 2.335 179.071 176.600 0.226 0.000 0.989 926 E CA 1.332 57.812 56.400 0.134 0.000 0.800 926 E CB -0.075 29.712 29.700 0.146 0.000 0.746 926 E HN 0.344 nan 8.360 nan 0.000 0.452 927 R N -0.040 120.535 120.500 0.124 0.000 2.096 927 R HA -0.144 4.203 4.340 0.012 0.000 0.235 927 R C 2.003 178.412 176.300 0.181 0.000 1.127 927 R CA 1.610 57.782 56.100 0.120 0.000 0.968 927 R CB -0.855 29.491 30.300 0.076 0.000 0.861 927 R HN 0.345 nan 8.270 nan 0.000 0.440 928 F N -0.351 119.615 119.950 0.026 0.000 2.113 928 F HA -0.128 4.406 4.527 0.012 0.000 0.297 928 F C 1.816 177.636 175.800 0.033 0.000 1.103 928 F CA 1.466 59.463 58.000 -0.005 0.000 1.248 928 F CB -0.283 38.663 39.000 -0.090 0.000 0.999 928 F HN -0.152 nan 8.300 nan 0.000 0.475 929 V N -0.360 119.704 119.914 0.249 0.000 2.392 929 V HA -0.331 3.796 4.120 0.012 0.000 0.249 929 V C 1.983 178.099 176.094 0.036 0.000 1.059 929 V CA 2.068 64.467 62.300 0.165 0.000 1.051 929 V CB -1.106 30.815 31.823 0.164 0.000 0.658 929 V HN 0.404 nan 8.190 nan 0.000 0.455 930 Y N 1.150 121.447 120.300 -0.004 0.000 2.176 930 Y HA -0.172 4.385 4.550 0.012 0.000 0.291 930 Y C 2.940 178.779 175.900 -0.102 0.000 1.122 930 Y CA 1.632 59.684 58.100 -0.080 0.000 1.128 930 Y CB -0.640 37.758 38.460 -0.103 0.000 1.005 930 Y HN 0.362 nan 8.280 nan 0.000 0.509 931 S N -1.396 114.360 115.700 0.093 0.000 2.400 931 S HA -0.270 4.207 4.470 0.012 0.000 0.232 931 S C 2.147 176.804 174.600 0.094 0.000 1.025 931 S CA 1.200 59.464 58.200 0.106 0.000 0.993 931 S CB -1.377 61.905 63.200 0.135 0.000 0.808 931 S HN 0.590 nan 8.310 nan 0.000 0.478 932 C N 1.870 121.085 119.300 -0.141 0.000 2.457 932 C HA 0.298 4.765 4.460 0.012 0.000 0.278 932 C C 3.125 178.203 174.990 0.147 0.000 1.309 932 C CA 0.663 59.601 59.018 -0.133 0.000 1.735 932 C CB -1.693 25.740 27.740 -0.512 0.000 1.992 932 C HN 0.697 nan 8.230 nan 0.000 0.493 933 A N 0.564 123.451 122.820 0.112 0.000 1.877 933 A HA 0.092 4.419 4.320 0.012 0.000 0.216 933 A C 2.472 179.944 177.584 -0.186 0.000 1.186 933 A CA 2.143 54.115 52.037 -0.109 0.000 0.620 933 A CB -1.533 17.222 19.000 -0.408 0.000 0.822 933 A HN 0.664 nan 8.150 nan 0.000 0.443 934 G N -1.791 106.889 108.800 -0.199 0.000 2.421 934 G HA2 -0.232 3.735 3.960 0.012 0.000 0.216 934 G HA3 -0.232 3.735 3.960 0.012 0.000 0.216 934 G C 1.469 176.331 174.900 -0.064 0.000 1.171 934 G CA 1.175 46.133 45.100 -0.236 0.000 0.775 934 G HN 0.573 nan 8.290 nan 0.000 0.543 935 Y N -0.122 120.175 120.300 -0.004 0.000 2.439 935 Y HA -0.056 4.501 4.550 0.012 0.000 0.292 935 Y C 2.964 178.827 175.900 -0.060 0.000 1.130 935 Y CA 0.404 58.474 58.100 -0.050 0.000 1.254 935 Y CB -0.045 38.354 38.460 -0.101 0.000 1.000 935 Y HN 0.232 nan 8.280 nan 0.000 0.554 936 C N -1.539 117.786 119.300 0.041 0.000 2.486 936 C HA -0.087 4.381 4.460 0.012 0.000 0.279 936 C C 2.658 177.512 174.990 -0.225 0.000 1.302 936 C CA 0.629 59.479 59.018 -0.280 0.000 1.720 936 C CB -0.918 26.538 27.740 -0.473 0.000 2.030 936 C HN 0.321 nan 8.230 nan 0.000 0.490 937 V N 1.544 121.442 119.914 -0.027 0.000 2.244 937 V HA -0.167 3.960 4.120 0.012 0.000 0.244 937 V C 2.754 179.006 176.094 0.263 0.000 1.042 937 V CA 2.282 64.661 62.300 0.131 0.000 1.006 937 V CB -1.390 30.460 31.823 0.044 0.000 0.641 937 V HN 0.558 nan 8.190 nan 0.000 0.446 938 A N -0.856 122.089 122.820 0.208 0.000 1.940 938 A HA -0.272 4.055 4.320 0.012 0.000 0.219 938 A C 2.438 180.109 177.584 0.145 0.000 1.176 938 A CA 2.631 54.742 52.037 0.123 0.000 0.631 938 A CB -0.945 18.063 19.000 0.013 0.000 0.814 938 A HN 0.473 nan 8.150 nan 0.000 0.446 939 T N -1.944 112.723 114.554 0.189 0.000 2.904 939 T HA -0.067 4.290 4.350 0.012 0.000 0.267 939 T C 1.513 176.435 174.700 0.370 0.000 1.059 939 T CA 1.425 63.677 62.100 0.253 0.000 1.137 939 T CB -0.379 68.654 68.868 0.274 0.000 0.879 939 T HN 0.450 nan 8.240 nan 0.000 0.467 940 F N 1.353 121.483 119.950 0.300 0.000 2.163 940 F HA 0.043 4.577 4.527 0.012 0.000 0.297 940 F C 2.070 178.110 175.800 0.399 0.000 1.094 940 F CA 0.764 59.017 58.000 0.420 0.000 1.290 940 F CB -0.558 38.756 39.000 0.523 0.000 1.017 940 F HN -0.034 nan 8.300 nan 0.000 0.483 941 V N 0.917 120.956 119.914 0.208 0.000 2.343 941 V HA -0.283 3.844 4.120 0.012 0.000 0.247 941 V C 2.337 178.449 176.094 0.031 0.000 1.051 941 V CA 1.856 64.181 62.300 0.042 0.000 1.036 941 V CB -0.741 31.138 31.823 0.094 0.000 0.654 941 V HN 0.365 nan 8.190 nan 0.000 0.451 942 L N 0.281 121.569 121.223 0.107 0.000 2.554 942 L HA 0.276 4.623 4.340 0.012 0.000 0.226 942 L C 1.641 178.587 176.870 0.127 0.000 1.137 942 L CA 0.751 55.685 54.840 0.156 0.000 0.863 942 L CB -0.608 41.544 42.059 0.155 0.000 0.985 942 L HN 0.562 nan 8.230 nan 0.000 0.451 943 G N 2.005 110.856 108.800 0.085 0.000 2.246 943 G HA2 -0.286 3.682 3.960 0.012 0.000 0.273 943 G HA3 -0.286 3.682 3.960 0.012 0.000 0.273 943 G C 0.520 175.427 174.900 0.012 0.000 1.055 943 G CA 0.580 45.589 45.100 -0.151 0.000 0.851 943 G HN 0.622 nan 8.290 nan 0.000 0.500 944 I N -3.726 116.948 120.570 0.173 0.000 3.491 944 I HA 0.547 4.724 4.170 0.012 0.000 0.332 944 I C 1.286 177.597 176.117 0.323 0.000 1.565 944 I CA 0.034 61.473 61.300 0.230 0.000 1.050 944 I CB 0.300 38.451 38.000 0.252 0.000 1.348 944 I HN 0.025 nan 8.210 nan 0.000 0.506 945 G N 0.442 109.463 108.800 0.368 0.000 2.623 945 G HA2 -0.103 3.864 3.960 0.012 0.000 0.214 945 G HA3 -0.103 3.864 3.960 0.012 0.000 0.214 945 G C 0.352 175.491 174.900 0.399 0.000 1.138 945 G CA 0.216 45.595 45.100 0.465 0.000 0.794 945 G HN 0.382 nan 8.290 nan 0.000 0.535 946 D N 1.122 121.725 120.400 0.339 0.000 2.494 946 D HA 0.227 4.874 4.640 0.012 0.000 0.217 946 D C 0.140 176.598 176.300 0.264 0.000 1.153 946 D CA -0.133 54.084 54.000 0.361 0.000 0.954 946 D CB 0.127 41.173 40.800 0.411 0.000 1.034 946 D HN 0.109 nan 8.370 nan 0.000 0.518 947 R N 1.585 122.097 120.500 0.021 0.000 2.854 947 R HA 0.293 4.640 4.340 0.012 0.000 0.271 947 R C -0.185 175.662 176.300 -0.755 0.000 0.994 947 R CA -1.004 54.853 56.100 -0.405 0.000 0.945 947 R CB 0.973 31.118 30.300 -0.259 0.000 1.194 947 R HN 0.371 nan 8.270 nan 0.000 0.476 948 H N 1.777 120.121 119.070 -1.210 0.000 2.683 948 H HA 0.041 4.605 4.556 0.012 0.000 0.339 948 H C 0.850 175.910 175.328 -0.446 0.000 1.081 948 H CA -0.288 55.254 56.048 -0.844 0.000 1.432 948 H CB 0.798 30.169 29.762 -0.651 0.000 1.462 948 H HN 0.566 nan 8.280 nan 0.000 0.557 949 N N 2.375 120.648 118.700 -0.711 0.000 2.626 949 N HA -0.130 4.618 4.740 0.012 0.000 0.193 949 N C 0.586 175.746 175.510 -0.583 0.000 1.213 949 N CA 0.746 53.466 53.050 -0.549 0.000 0.914 949 N CB -0.065 38.194 38.487 -0.381 0.000 0.994 949 N HN 0.663 nan 8.380 nan 0.000 0.447 950 D N 0.478 120.429 120.400 -0.749 0.000 2.249 950 D HA 0.011 4.658 4.640 0.012 0.000 0.205 950 D C 0.302 176.410 176.300 -0.319 0.000 0.962 950 D CA 0.653 54.410 54.000 -0.404 0.000 0.860 950 D CB -0.244 40.453 40.800 -0.172 0.000 0.955 950 D HN 0.413 nan 8.370 nan 0.000 0.505 951 N N -0.687 117.788 118.700 -0.375 0.000 2.362 951 N HA 0.197 4.944 4.740 0.012 0.000 0.204 951 N C -0.495 174.709 175.510 -0.510 0.000 1.166 951 N CA 0.074 52.884 53.050 -0.399 0.000 0.831 951 N CB 0.730 38.975 38.487 -0.403 0.000 1.008 951 N HN 0.211 nan 8.380 nan 0.000 0.472 952 I N 0.824 121.093 120.570 -0.500 0.000 2.498 952 I HA 0.375 4.552 4.170 0.012 0.000 0.290 952 I C -0.527 175.294 176.117 -0.492 0.000 1.032 952 I CA -0.582 60.391 61.300 -0.544 0.000 1.073 952 I CB 1.720 39.439 38.000 -0.468 0.000 1.251 952 I HN -0.152 nan 8.210 nan 0.000 0.426 953 M N 6.134 125.312 119.600 -0.704 0.000 2.716 953 M HA 0.636 5.123 4.480 0.012 0.000 0.307 953 M C -1.021 174.884 176.300 -0.658 0.000 1.223 953 M CA -0.809 54.043 55.300 -0.746 0.000 0.871 953 M CB 3.393 35.391 32.600 -1.004 0.000 1.739 953 M HN 0.470 nan 8.290 nan 0.000 0.475 954 I N -0.121 120.253 120.570 -0.328 0.000 2.722 954 I HA 0.413 4.591 4.170 0.012 0.000 0.295 954 I C -0.839 175.406 176.117 0.214 0.000 1.161 954 I CA -0.274 61.011 61.300 -0.026 0.000 1.032 954 I CB 2.612 40.584 38.000 -0.047 0.000 1.244 954 I HN 0.611 nan 8.210 nan 0.000 0.421 955 T N 4.694 119.471 114.554 0.372 0.000 2.913 955 T HA 0.170 4.528 4.350 0.012 0.000 0.287 955 T C 0.986 175.946 174.700 0.434 0.000 1.008 955 T CA -0.360 61.970 62.100 0.383 0.000 1.067 955 T CB 1.204 70.249 68.868 0.295 0.000 0.996 955 T HN 0.612 nan 8.240 nan 0.000 0.513 956 E N 0.812 121.251 120.200 0.399 0.000 2.331 956 E HA -0.098 4.260 4.350 0.012 0.000 0.199 956 E C 1.243 177.946 176.600 0.171 0.000 1.008 956 E CA 0.955 57.507 56.400 0.253 0.000 0.843 956 E CB -0.037 29.703 29.700 0.066 0.000 0.761 956 E HN 0.537 nan 8.360 nan 0.000 0.507 957 T N -0.770 113.891 114.554 0.179 0.000 3.144 957 T HA 0.202 4.559 4.350 0.012 0.000 0.249 957 T C 1.161 175.947 174.700 0.143 0.000 1.089 957 T CA 0.462 62.636 62.100 0.124 0.000 0.989 957 T CB 0.685 69.610 68.868 0.095 0.000 0.992 957 T HN 0.363 nan 8.240 nan 0.000 0.540 958 G N 2.247 111.179 108.800 0.220 0.000 2.132 958 G HA2 -0.245 3.722 3.960 0.012 0.000 0.234 958 G HA3 -0.245 3.722 3.960 0.012 0.000 0.234 958 G C -0.091 174.966 174.900 0.261 0.000 0.989 958 G CA -0.301 44.947 45.100 0.247 0.000 0.676 958 G HN 0.586 nan 8.290 nan 0.000 0.522 959 N N 0.018 118.863 118.700 0.243 0.000 2.406 959 N HA 0.542 5.290 4.740 0.012 0.000 0.251 959 N C 0.244 175.941 175.510 0.313 0.000 1.069 959 N CA -0.666 52.527 53.050 0.239 0.000 0.947 959 N CB 0.471 39.083 38.487 0.208 0.000 1.111 959 N HN 0.300 nan 8.380 nan 0.000 0.497 960 L N 5.179 126.518 121.223 0.193 0.000 2.399 960 L HA 0.639 4.986 4.340 0.012 0.000 0.266 960 L C -1.079 175.898 176.870 0.177 0.000 1.114 960 L CA -0.114 54.760 54.840 0.056 0.000 0.804 960 L CB 0.401 42.318 42.059 -0.237 0.000 1.146 960 L HN 0.556 nan 8.230 nan 0.000 0.451 961 F N 0.469 120.238 119.950 -0.303 0.000 2.704 961 F HA 0.422 4.956 4.527 0.012 0.000 0.312 961 F C -1.015 174.617 175.800 -0.280 0.000 1.108 961 F CA -0.996 56.667 58.000 -0.563 0.000 1.005 961 F CB 0.566 39.585 39.000 0.031 0.000 1.277 961 F HN 0.497 nan 8.300 nan 0.000 0.445 962 H N 3.056 121.867 119.070 -0.431 0.000 2.508 962 H HA 0.818 5.381 4.556 0.012 0.000 0.358 962 H C -0.103 175.177 175.328 -0.080 0.000 1.212 962 H CA -0.219 55.695 56.048 -0.223 0.000 1.356 962 H CB 2.198 31.963 29.762 0.005 0.000 1.525 962 H HN 0.757 nan 8.280 nan 0.000 0.578 963 I N -2.585 117.782 120.570 -0.339 0.000 3.354 963 I HA 0.276 4.453 4.170 0.012 0.000 0.316 963 I C -0.998 174.694 176.117 -0.708 0.000 1.182 963 I CA -1.122 59.981 61.300 -0.328 0.000 0.942 963 I CB 2.163 40.050 38.000 -0.188 0.000 1.299 963 I HN 0.438 nan 8.210 nan 0.000 0.473 964 D N 1.459 121.577 120.400 -0.469 0.000 2.927 964 D HA -0.203 4.444 4.640 0.012 0.000 0.236 964 D C -0.065 175.885 176.300 -0.584 0.000 1.163 964 D CA 1.025 54.680 54.000 -0.574 0.000 0.801 964 D CB -1.018 39.304 40.800 -0.796 0.000 0.975 964 D HN 0.576 nan 8.370 nan 0.000 0.413 965 F N -0.586 119.311 119.950 -0.087 0.000 2.765 965 F HA 0.197 4.731 4.527 0.012 0.000 0.302 965 F C 2.477 178.275 175.800 -0.004 0.000 1.111 965 F CA 0.273 58.259 58.000 -0.023 0.000 1.359 965 F CB 0.382 39.396 39.000 0.023 0.000 1.097 965 F HN 0.307 nan 8.300 nan 0.000 0.577 966 G N -0.316 108.558 108.800 0.123 0.000 2.408 966 G HA2 -0.201 3.766 3.960 0.012 0.000 0.217 966 G HA3 -0.201 3.766 3.960 0.012 0.000 0.217 966 G C 1.341 176.378 174.900 0.228 0.000 1.150 966 G CA 0.675 45.873 45.100 0.164 0.000 0.776 966 G HN 0.426 nan 8.290 nan 0.000 0.542 967 H N -0.624 118.468 119.070 0.037 0.000 2.321 967 H HA -0.021 4.542 4.556 0.012 0.000 0.300 967 H C 1.475 176.828 175.328 0.042 0.000 1.087 967 H CA 0.307 56.365 56.048 0.017 0.000 1.319 967 H CB 0.057 29.801 29.762 -0.030 0.000 1.379 967 H HN 0.379 nan 8.280 nan 0.000 0.501 983 V N -0.550 119.406 119.914 0.071 0.000 2.876 983 V HA 0.564 4.692 4.120 0.012 0.000 0.312 983 V C -2.391 173.710 176.094 0.011 0.000 1.085 983 V CA -2.021 60.273 62.300 -0.011 0.000 0.945 983 V CB 2.083 33.883 31.823 -0.037 0.000 1.017 983 V HN 0.542 nan 8.190 nan 0.000 0.428 984 P HA 0.016 nan 4.420 nan 0.000 0.215 984 P C -0.093 177.324 177.300 0.194 0.000 1.157 984 P CA 1.919 64.996 63.100 -0.038 0.000 0.874 984 P CB -0.076 31.260 31.700 -0.606 0.000 0.790 985 F N -6.115 113.927 119.950 0.152 0.000 3.360 985 F HA 0.501 5.035 4.527 0.012 0.000 0.327 985 F C -1.301 174.588 175.800 0.148 0.000 1.186 985 F CA -1.420 56.704 58.000 0.207 0.000 0.903 985 F CB 0.268 39.415 39.000 0.245 0.000 1.533 985 F HN -0.585 nan 8.300 nan 0.000 0.515 986 V N 2.225 122.448 119.914 0.516 0.000 2.294 986 V HA 0.474 4.602 4.120 0.012 0.000 0.272 986 V C -0.900 175.367 176.094 0.289 0.000 1.027 986 V CA -0.144 62.309 62.300 0.256 0.000 0.823 986 V CB 0.840 32.773 31.823 0.183 0.000 1.030 986 V HN 0.586 nan 8.190 nan 0.000 0.457 987 L N 6.373 127.646 121.223 0.084 0.000 2.783 987 L HA 0.407 4.754 4.340 0.012 0.000 0.265 987 L C 0.854 177.584 176.870 -0.233 0.000 1.398 987 L CA 0.060 54.941 54.840 0.069 0.000 0.802 987 L CB 0.746 42.931 42.059 0.210 0.000 1.126 987 L HN 0.733 nan 8.230 nan 0.000 0.529 988 T N -1.492 112.706 114.554 -0.594 0.000 2.855 988 T HA 0.200 4.557 4.350 0.012 0.000 0.314 988 T C -1.674 172.615 174.700 -0.685 0.000 1.077 988 T CA -0.951 60.618 62.100 -0.884 0.000 1.095 988 T CB 0.316 68.376 68.868 -1.346 0.000 0.987 988 T HN 0.176 nan 8.240 nan 0.000 0.546 989 P HA -0.130 nan 4.420 nan 0.000 0.219 989 P C 1.381 178.657 177.300 -0.040 0.000 1.146 989 P CA 1.159 64.053 63.100 -0.344 0.000 0.808 989 P CB -0.033 31.468 31.700 -0.332 0.000 0.779 990 D N -1.267 119.122 120.400 -0.019 0.000 2.144 990 D HA -0.172 4.476 4.640 0.012 0.000 0.200 990 D C 1.691 178.226 176.300 0.393 0.000 0.978 990 D CA 1.135 55.309 54.000 0.289 0.000 0.833 990 D CB -1.185 39.878 40.800 0.439 0.000 0.961 990 D HN 0.088 nan 8.370 nan 0.000 0.470 991 F N 1.184 121.179 119.950 0.075 0.000 2.102 991 F HA 0.056 4.590 4.527 0.012 0.000 0.298 991 F C 2.584 178.444 175.800 0.100 0.000 1.105 991 F CA 0.154 58.256 58.000 0.170 0.000 1.239 991 F CB -1.162 38.004 39.000 0.276 0.000 0.991 991 F HN -0.044 nan 8.300 nan 0.000 0.474 992 L N -1.422 119.942 121.223 0.236 0.000 2.127 992 L HA -0.257 4.090 4.340 0.012 0.000 0.211 992 L C 2.468 179.404 176.870 0.110 0.000 1.089 992 L CA 1.182 56.082 54.840 0.100 0.000 0.757 992 L CB -0.804 41.239 42.059 -0.026 0.000 0.899 992 L HN 0.044 nan 8.230 nan 0.000 0.434 993 F N 0.124 120.096 119.950 0.036 0.000 2.186 993 F HA -0.167 4.367 4.527 0.012 0.000 0.299 993 F C 2.193 178.004 175.800 0.018 0.000 1.090 993 F CA 1.274 59.297 58.000 0.039 0.000 1.307 993 F CB -0.095 38.953 39.000 0.081 0.000 1.019 993 F HN -0.249 nan 8.300 nan 0.000 0.489 994 V N 0.637 120.587 119.914 0.061 0.000 2.720 994 V HA -0.305 3.822 4.120 0.012 0.000 0.256 994 V C 2.086 178.069 176.094 -0.185 0.000 1.082 994 V CA 1.948 64.162 62.300 -0.142 0.000 1.101 994 V CB -0.727 30.843 31.823 -0.421 0.000 0.693 994 V HN 0.401 nan 8.190 nan 0.000 0.479 995 M N -0.212 119.348 119.600 -0.066 0.000 2.556 995 M HA 0.283 4.770 4.480 0.012 0.000 0.245 995 M C 1.371 177.699 176.300 0.047 0.000 1.128 995 M CA 0.957 56.276 55.300 0.031 0.000 1.069 995 M CB 0.268 32.964 32.600 0.159 0.000 1.469 995 M HN 0.456 nan 8.290 nan 0.000 0.494 996 G N 1.901 110.635 108.800 -0.110 0.000 2.325 996 G HA2 -0.166 3.801 3.960 0.012 0.000 0.248 996 G HA3 -0.166 3.801 3.960 0.012 0.000 0.248 996 G C -0.296 174.543 174.900 -0.102 0.000 1.108 996 G CA 0.029 45.038 45.100 -0.151 0.000 0.881 996 G HN 0.387 nan 8.290 nan 0.000 0.494 997 T N -0.464 114.021 114.554 -0.115 0.000 2.894 997 T HA 0.777 5.135 4.350 0.012 0.000 0.309 997 T C -0.251 174.417 174.700 -0.053 0.000 1.208 997 T CA 0.019 62.047 62.100 -0.119 0.000 1.016 997 T CB 2.165 70.870 68.868 -0.272 0.000 1.192 997 T HN 1.528 nan 8.240 nan 0.000 0.491 998 S N 0.293 115.964 115.700 -0.048 0.000 2.387 998 S HA 0.680 5.157 4.470 0.012 0.000 0.211 998 S C 0.392 174.975 174.600 -0.029 0.000 1.055 998 S CA -0.096 58.111 58.200 0.012 0.000 1.133 998 S CB 0.707 63.977 63.200 0.117 0.000 1.235 998 S HN 1.851 nan 8.310 nan 0.000 0.425 999 G N 2.083 110.840 108.800 -0.071 0.000 2.520 999 G HA2 0.185 4.152 3.960 0.012 0.000 0.248 999 G HA3 0.185 4.152 3.960 0.012 0.000 0.248 999 G C 0.233 175.078 174.900 -0.091 0.000 1.161 999 G CA 0.059 45.118 45.100 -0.068 0.000 0.946 999 G HN 1.795 nan 8.290 nan 0.000 0.565 1000 K N 0.849 121.214 120.400 -0.058 0.000 2.449 1000 K HA 0.615 4.942 4.320 0.012 0.000 0.237 1000 K C 0.524 177.092 176.600 -0.053 0.000 1.265 1000 K CA 1.437 57.692 56.287 -0.052 0.000 1.193 1000 K CB -0.590 31.893 32.500 -0.028 0.000 1.515 1000 K HN 0.811 nan 8.250 nan 0.000 0.259 1001 K N -1.041 119.305 120.400 -0.091 0.000 2.152 1001 K HA 0.682 5.009 4.320 0.012 0.000 0.257 1001 K C -0.295 176.239 176.600 -0.110 0.000 0.961 1001 K CA -0.654 55.587 56.287 -0.077 0.000 0.816 1001 K CB 1.988 34.446 32.500 -0.069 0.000 1.501 1001 K HN 0.272 nan 8.250 nan 0.000 0.417 1002 T N -1.114 113.400 114.554 -0.067 0.000 2.630 1002 T HA 0.552 4.909 4.350 0.012 0.000 0.300 1002 T C -1.856 172.876 174.700 0.052 0.000 1.261 1002 T CA -0.357 61.748 62.100 0.007 0.000 1.060 1002 T CB 1.456 70.400 68.868 0.127 0.000 1.670 1002 T HN 0.515 nan 8.240 nan 0.000 0.473 1003 S N -0.581 115.214 115.700 0.160 0.000 2.614 1003 S HA 0.460 4.937 4.470 0.012 0.000 0.280 1003 S C -2.604 172.070 174.600 0.124 0.000 1.111 1003 S CA -0.606 57.670 58.200 0.126 0.000 0.847 1003 S CB 1.265 64.549 63.200 0.140 0.000 1.079 1003 S HN 0.440 nan 8.310 nan 0.000 0.452 1004 P HA -0.073 nan 4.420 nan 0.000 0.220 1004 P C 0.960 178.195 177.300 -0.108 0.000 1.144 1004 P CA 1.209 64.265 63.100 -0.074 0.000 0.800 1004 P CB -0.034 31.560 31.700 -0.177 0.000 0.772 1005 H N -3.233 115.895 119.070 0.096 0.000 2.486 1005 H HA 0.108 4.671 4.556 0.012 0.000 0.287 1005 H C 1.745 177.172 175.328 0.164 0.000 1.010 1005 H CA 0.649 56.760 56.048 0.105 0.000 1.324 1005 H CB -0.599 29.217 29.762 0.090 0.000 1.446 1005 H HN 0.140 nan 8.280 nan 0.000 0.537 1006 F N 2.320 122.371 119.950 0.168 0.000 2.206 1006 F HA -0.106 4.429 4.527 0.012 0.000 0.298 1006 F C 2.364 178.267 175.800 0.172 0.000 1.090 1006 F CA 1.046 59.142 58.000 0.160 0.000 1.323 1006 F CB 0.006 39.060 39.000 0.091 0.000 1.028 1006 F HN 0.001 nan 8.300 nan 0.000 0.492 1007 Q N 0.271 120.136 119.800 0.109 0.000 2.135 1007 Q HA -0.261 4.086 4.340 0.012 0.000 0.204 1007 Q C 2.248 178.202 176.000 -0.076 0.000 0.981 1007 Q CA 1.934 57.729 55.803 -0.014 0.000 0.856 1007 Q CB -0.307 28.456 28.738 0.041 0.000 0.902 1007 Q HN 0.432 nan 8.270 nan 0.000 0.425 1008 K N 0.430 120.816 120.400 -0.023 0.000 2.002 1008 K HA -0.190 4.137 4.320 0.012 0.000 0.209 1008 K C 1.923 178.447 176.600 -0.127 0.000 1.048 1008 K CA 1.290 57.542 56.287 -0.059 0.000 0.930 1008 K CB -0.243 32.258 32.500 0.001 0.000 0.714 1008 K HN 0.121 nan 8.250 nan 0.000 0.438 1009 F N 2.154 121.973 119.950 -0.218 0.000 2.065 1009 F HA -0.281 4.253 4.527 0.012 0.000 0.298 1009 F C 2.179 177.803 175.800 -0.293 0.000 1.112 1009 F CA 1.860 59.704 58.000 -0.259 0.000 1.212 1009 F CB -0.269 38.627 39.000 -0.174 0.000 0.975 1009 F HN 0.172 nan 8.300 nan 0.000 0.476 1010 Q N -0.525 119.056 119.800 -0.364 0.000 2.226 1010 Q HA -0.238 4.109 4.340 0.012 0.000 0.204 1010 Q C 1.779 177.593 176.000 -0.309 0.000 0.975 1010 Q CA 1.639 57.209 55.803 -0.389 0.000 0.866 1010 Q CB -0.351 28.180 28.738 -0.346 0.000 0.915 1010 Q HN 0.519 nan 8.270 nan 0.000 0.440 1011 D N 0.523 120.764 120.400 -0.264 0.000 2.123 1011 D HA -0.088 4.560 4.640 0.012 0.000 0.200 1011 D C 1.623 177.767 176.300 -0.260 0.000 0.976 1011 D CA 0.851 54.729 54.000 -0.203 0.000 0.831 1011 D CB 0.000 40.714 40.800 -0.144 0.000 0.974 1011 D HN 0.175 nan 8.370 nan 0.000 0.469 1012 I N -0.064 120.288 120.570 -0.364 0.000 2.315 1012 I HA -0.250 3.927 4.170 0.012 0.000 0.248 1012 I C 2.390 178.223 176.117 -0.473 0.000 1.117 1012 I CA 0.367 61.413 61.300 -0.423 0.000 1.404 1012 I CB -0.134 37.522 38.000 -0.572 0.000 1.071 1012 I HN 0.190 nan 8.210 nan 0.000 0.419 1013 C N 0.092 119.056 119.300 -0.559 0.000 2.436 1013 C HA -0.121 4.346 4.460 0.012 0.000 0.277 1013 C C 2.885 177.599 174.990 -0.461 0.000 1.241 1013 C CA 0.563 59.251 59.018 -0.550 0.000 1.721 1013 C CB -0.703 26.739 27.740 -0.496 0.000 2.043 1013 C HN 0.337 nan 8.230 nan 0.000 0.472 1014 V N 1.128 120.861 119.914 -0.302 0.000 2.392 1014 V HA -0.245 3.883 4.120 0.012 0.000 0.249 1014 V C 2.428 178.441 176.094 -0.136 0.000 1.059 1014 V CA 1.830 64.030 62.300 -0.168 0.000 1.051 1014 V CB -0.680 31.101 31.823 -0.071 0.000 0.658 1014 V HN 0.575 nan 8.190 nan 0.000 0.455 1015 K N 0.306 120.602 120.400 -0.174 0.000 2.002 1015 K HA -0.160 4.168 4.320 0.012 0.000 0.209 1015 K C 2.368 178.878 176.600 -0.149 0.000 1.048 1015 K CA 1.608 57.809 56.287 -0.143 0.000 0.930 1015 K CB -0.475 31.931 32.500 -0.157 0.000 0.714 1015 K HN 0.472 nan 8.250 nan 0.000 0.438 1016 A N 0.741 123.404 122.820 -0.262 0.000 1.902 1016 A HA -0.213 4.114 4.320 0.012 0.000 0.217 1016 A C 2.096 179.747 177.584 0.111 0.000 1.181 1016 A CA 1.407 53.317 52.037 -0.213 0.000 0.623 1016 A CB -0.790 17.864 19.000 -0.577 0.000 0.818 1016 A HN 0.411 nan 8.150 nan 0.000 0.443 1017 Y N 0.519 120.672 120.300 -0.245 0.000 2.114 1017 Y HA -0.147 4.411 4.550 0.012 0.000 0.284 1017 Y C 1.980 177.792 175.900 -0.146 0.000 1.143 1017 Y CA 1.853 59.800 58.100 -0.255 0.000 1.135 1017 Y CB -0.449 37.665 38.460 -0.577 0.000 0.980 1017 Y HN 0.203 nan 8.280 nan 0.000 0.499 1018 L N -0.380 120.715 121.223 -0.214 0.000 2.191 1018 L HA -0.200 4.147 4.340 0.012 0.000 0.212 1018 L C 2.653 179.223 176.870 -0.500 0.000 1.103 1018 L CA 1.019 55.645 54.840 -0.358 0.000 0.769 1018 L CB -0.843 41.089 42.059 -0.211 0.000 0.908 1018 L HN 0.339 nan 8.230 nan 0.000 0.438 1019 A N -0.096 122.595 122.820 -0.215 0.000 1.968 1019 A HA -0.079 4.248 4.320 0.012 0.000 0.217 1019 A C 2.216 179.808 177.584 0.013 0.000 1.169 1019 A CA 1.043 53.054 52.037 -0.043 0.000 0.638 1019 A CB -0.408 18.737 19.000 0.243 0.000 0.812 1019 A HN 0.360 nan 8.150 nan 0.000 0.446 1020 L N -1.135 120.060 121.223 -0.047 0.000 2.156 1020 L HA -0.083 4.264 4.340 0.012 0.000 0.208 1020 L C 2.612 179.418 176.870 -0.106 0.000 1.095 1020 L CA 0.844 55.627 54.840 -0.095 0.000 0.770 1020 L CB -0.417 41.567 42.059 -0.125 0.000 0.914 1020 L HN 0.342 nan 8.230 nan 0.000 0.439 1021 R N -0.797 119.545 120.500 -0.264 0.000 2.237 1021 R HA -0.119 4.228 4.340 0.012 0.000 0.219 1021 R C 1.683 177.937 176.300 -0.077 0.000 1.080 1021 R CA 0.804 56.757 56.100 -0.245 0.000 0.995 1021 R CB -0.369 29.701 30.300 -0.384 0.000 0.875 1021 R HN 0.541 nan 8.270 nan 0.000 0.462 1022 H N -1.444 117.598 119.070 -0.047 0.000 2.555 1022 H HA 0.003 4.566 4.556 0.012 0.000 0.269 1022 H C 0.238 175.397 175.328 -0.282 0.000 0.988 1022 H CA 0.384 56.366 56.048 -0.110 0.000 1.178 1022 H CB 0.270 29.997 29.762 -0.058 0.000 1.373 1022 H HN 0.282 nan 8.280 nan 0.000 0.588 1023 H N -1.637 117.446 119.070 0.022 0.000 2.651 1023 H HA 0.127 4.691 4.556 0.012 0.000 0.241 1023 H C 1.170 176.470 175.328 -0.046 0.000 1.225 1023 H CA -0.214 55.824 56.048 -0.018 0.000 0.942 1023 H CB 0.613 30.350 29.762 -0.041 0.000 1.996 1023 H HN 0.091 nan 8.280 nan 0.000 0.600 1024 T N 0.353 114.917 114.554 0.017 0.000 2.607 1024 T HA -0.211 4.146 4.350 0.012 0.000 0.267 1024 T C 1.843 176.540 174.700 -0.005 0.000 1.049 1024 T CA 1.900 63.987 62.100 -0.021 0.000 1.162 1024 T CB -0.075 68.765 68.868 -0.047 0.000 0.863 1024 T HN 0.453 nan 8.240 nan 0.000 0.424 1025 N N 1.317 120.018 118.700 0.001 0.000 2.091 1025 N HA -0.073 4.674 4.740 0.012 0.000 0.193 1025 N C 1.727 177.252 175.510 0.026 0.000 1.021 1025 N CA 0.689 53.747 53.050 0.014 0.000 0.862 1025 N CB -0.719 37.777 38.487 0.014 0.000 1.018 1025 N HN 0.215 nan 8.380 nan 0.000 0.429 1026 L N -0.012 121.233 121.223 0.037 0.000 2.056 1026 L HA -0.077 4.270 4.340 0.012 0.000 0.207 1026 L C 1.535 178.430 176.870 0.042 0.000 1.078 1026 L CA 1.397 56.263 54.840 0.043 0.000 0.749 1026 L CB -0.444 41.664 42.059 0.082 0.000 0.901 1026 L HN 0.119 nan 8.230 nan 0.000 0.433 1027 L N 0.131 121.373 121.223 0.031 0.000 2.056 1027 L HA -0.184 4.163 4.340 0.012 0.000 0.207 1027 L C 2.591 179.496 176.870 0.059 0.000 1.078 1027 L CA 1.532 56.384 54.840 0.020 0.000 0.749 1027 L CB -0.993 41.049 42.059 -0.028 0.000 0.901 1027 L HN 0.214 nan 8.230 nan 0.000 0.433 1028 I N -0.915 119.676 120.570 0.037 0.000 2.127 1028 I HA -0.330 3.847 4.170 0.012 0.000 0.241 1028 I C 2.453 178.638 176.117 0.113 0.000 1.075 1028 I CA 1.219 62.555 61.300 0.060 0.000 1.334 1028 I CB -0.241 37.771 38.000 0.020 0.000 1.040 1028 I HN 0.200 nan 8.210 nan 0.000 0.405 1029 I N 0.768 121.384 120.570 0.076 0.000 2.315 1029 I HA -0.246 3.931 4.170 0.012 0.000 0.248 1029 I C 2.211 178.376 176.117 0.079 0.000 1.117 1029 I CA 1.654 62.995 61.300 0.068 0.000 1.404 1029 I CB -0.203 37.825 38.000 0.047 0.000 1.071 1029 I HN 0.088 nan 8.210 nan 0.000 0.419 1030 L N -1.071 120.203 121.223 0.086 0.000 2.056 1030 L HA -0.196 4.151 4.340 0.012 0.000 0.207 1030 L C 2.471 179.394 176.870 0.088 0.000 1.078 1030 L CA 1.482 56.369 54.840 0.078 0.000 0.749 1030 L CB -0.830 41.272 42.059 0.071 0.000 0.901 1030 L HN 0.270 nan 8.230 nan 0.000 0.433 1031 F N 0.313 120.255 119.950 -0.013 0.000 2.102 1031 F HA -0.274 4.261 4.527 0.012 0.000 0.298 1031 F C 2.909 178.702 175.800 -0.011 0.000 1.105 1031 F CA 1.802 59.793 58.000 -0.015 0.000 1.239 1031 F CB -0.280 38.716 39.000 -0.006 0.000 0.991 1031 F HN -0.021 nan 8.300 nan 0.000 0.474 1032 S N 0.284 116.069 115.700 0.141 0.000 2.359 1032 S HA -0.272 4.205 4.470 0.012 0.000 0.224 1032 S C 2.159 176.732 174.600 -0.044 0.000 1.035 1032 S CA 1.875 60.086 58.200 0.019 0.000 1.018 1032 S CB -0.394 62.829 63.200 0.039 0.000 0.876 1032 S HN 0.507 nan 8.310 nan 0.000 0.448 1033 M N 0.374 119.983 119.600 0.015 0.000 2.117 1033 M HA -0.111 4.377 4.480 0.012 0.000 0.262 1033 M C 2.400 178.702 176.300 0.005 0.000 1.065 1033 M CA 1.832 57.184 55.300 0.086 0.000 1.114 1033 M CB -0.408 32.272 32.600 0.134 0.000 1.361 1033 M HN 0.518 nan 8.290 nan 0.000 0.408 1034 M N 0.678 120.219 119.600 -0.097 0.000 2.080 1034 M HA -0.254 4.234 4.480 0.012 0.000 0.260 1034 M C 1.876 178.061 176.300 -0.191 0.000 1.068 1034 M CA 1.825 57.025 55.300 -0.166 0.000 1.109 1034 M CB -0.129 32.328 32.600 -0.238 0.000 1.342 1034 M HN 0.250 nan 8.290 nan 0.000 0.405 1035 L N -0.392 120.671 121.223 -0.267 0.000 2.056 1035 L HA -0.211 4.136 4.340 0.012 0.000 0.207 1035 L C 2.565 179.386 176.870 -0.082 0.000 1.078 1035 L CA 1.301 56.013 54.840 -0.214 0.000 0.749 1035 L CB -0.635 41.260 42.059 -0.274 0.000 0.901 1035 L HN 0.445 nan 8.230 nan 0.000 0.433 1036 M N -0.712 118.878 119.600 -0.016 0.000 2.229 1036 M HA -0.117 4.371 4.480 0.012 0.000 0.264 1036 M C 2.034 178.360 176.300 0.044 0.000 1.063 1036 M CA 2.035 57.385 55.300 0.083 0.000 1.114 1036 M CB -0.336 32.397 32.600 0.220 0.000 1.387 1036 M HN 0.424 nan 8.290 nan 0.000 0.420 1037 T N -4.832 109.711 114.554 -0.018 0.000 2.985 1037 T HA 0.275 4.632 4.350 0.012 0.000 0.254 1037 T C 1.352 175.986 174.700 -0.109 0.000 1.021 1037 T CA 0.494 62.528 62.100 -0.111 0.000 0.957 1037 T CB 0.439 69.184 68.868 -0.205 0.000 1.047 1037 T HN 0.358 nan 8.240 nan 0.000 0.511 1038 G N 1.013 109.757 108.800 -0.094 0.000 2.801 1038 G HA2 0.348 4.315 3.960 0.012 0.000 0.213 1038 G HA3 0.348 4.315 3.960 0.012 0.000 0.213 1038 G C 0.508 175.365 174.900 -0.072 0.000 1.052 1038 G CA -0.377 44.668 45.100 -0.091 0.000 0.868 1038 G HN 0.438 nan 8.290 nan 0.000 0.589 1039 M N 1.361 120.918 119.600 -0.073 0.000 2.236 1039 M HA 0.277 4.764 4.480 0.012 0.000 0.228 1039 M C -2.547 173.729 176.300 -0.039 0.000 0.906 1039 M CA -1.489 53.778 55.300 -0.056 0.000 0.761 1039 M CB 2.033 34.587 32.600 -0.077 0.000 1.439 1039 M HN -0.172 nan 8.290 nan 0.000 0.394 1040 P HA -0.203 nan 4.420 nan 0.000 0.218 1040 P C 1.519 178.813 177.300 -0.009 0.000 1.146 1040 P CA 1.434 64.517 63.100 -0.028 0.000 0.813 1040 P CB 0.095 31.774 31.700 -0.035 0.000 0.778 1041 Q N -1.157 118.642 119.800 -0.002 0.000 2.402 1041 Q HA 0.020 4.367 4.340 0.012 0.000 0.206 1041 Q C 0.218 176.228 176.000 0.017 0.000 0.919 1041 Q CA 0.922 56.732 55.803 0.011 0.000 0.923 1041 Q CB -0.401 28.347 28.738 0.017 0.000 1.048 1041 Q HN 0.217 nan 8.270 nan 0.000 0.515 1042 L N 2.747 123.973 121.223 0.004 0.000 2.506 1042 L HA 0.329 4.677 4.340 0.012 0.000 0.247 1042 L C -0.429 176.441 176.870 0.001 0.000 1.141 1042 L CA 0.221 55.063 54.840 0.003 0.000 0.973 1042 L CB 1.323 43.368 42.059 -0.024 0.000 1.319 1042 L HN 0.211 nan 8.230 nan 0.000 0.455 1043 T N -3.068 111.516 114.554 0.050 0.000 3.823 1043 T HA 0.367 4.724 4.350 0.012 0.000 0.261 1043 T C 0.274 175.114 174.700 0.232 0.000 0.983 1043 T CA -0.215 61.947 62.100 0.103 0.000 1.151 1043 T CB 0.262 69.194 68.868 0.107 0.000 1.062 1043 T HN 0.290 nan 8.240 nan 0.000 0.542 1044 S N 0.342 116.150 115.700 0.180 0.000 2.745 1044 S HA 0.534 5.011 4.470 0.012 0.000 0.292 1044 S C 1.216 175.913 174.600 0.162 0.000 1.127 1044 S CA -0.902 57.456 58.200 0.263 0.000 1.007 1044 S CB 2.252 65.550 63.200 0.163 0.000 1.165 1044 S HN 0.313 nan 8.310 nan 0.000 0.544 1045 K N 0.105 120.645 120.400 0.233 0.000 2.062 1045 K HA -0.037 4.290 4.320 0.012 0.000 0.205 1045 K C 1.436 178.051 176.600 0.025 0.000 1.051 1045 K CA 1.415 57.736 56.287 0.057 0.000 0.941 1045 K CB -0.301 32.320 32.500 0.202 0.000 0.719 1045 K HN 0.646 nan 8.250 nan 0.000 0.440 1046 E N 0.959 121.209 120.200 0.083 0.000 2.216 1046 E HA -0.094 4.264 4.350 0.012 0.000 0.192 1046 E C 1.515 178.189 176.600 0.123 0.000 0.988 1046 E CA 0.845 57.300 56.400 0.092 0.000 0.834 1046 E CB -0.019 29.740 29.700 0.098 0.000 0.772 1046 E HN 0.300 nan 8.360 nan 0.000 0.479 1047 D N 0.352 120.822 120.400 0.115 0.000 2.123 1047 D HA -0.129 4.518 4.640 0.012 0.000 0.196 1047 D C 1.838 178.288 176.300 0.250 0.000 0.992 1047 D CA 0.985 55.072 54.000 0.145 0.000 0.833 1047 D CB -0.017 40.836 40.800 0.089 0.000 0.954 1047 D HN 0.241 nan 8.370 nan 0.000 0.455 1048 I N 0.784 121.458 120.570 0.173 0.000 2.500 1048 I HA -0.113 4.065 4.170 0.012 0.000 0.252 1048 I C 1.678 177.926 176.117 0.219 0.000 1.142 1048 I CA 0.656 62.124 61.300 0.280 0.000 1.451 1048 I CB -0.181 37.836 38.000 0.027 0.000 1.093 1048 I HN -0.120 nan 8.210 nan 0.000 0.430 1049 E N 0.187 120.451 120.200 0.107 0.000 2.505 1049 E HA -0.177 4.181 4.350 0.012 0.000 0.197 1049 E C 1.451 178.076 176.600 0.042 0.000 1.111 1049 E CA 0.246 56.674 56.400 0.046 0.000 0.887 1049 E CB 0.019 29.734 29.700 0.025 0.000 0.913 1049 E HN 0.548 nan 8.360 nan 0.000 0.517 1050 Y N 0.535 120.811 120.300 -0.041 0.000 2.243 1050 Y HA -0.098 4.460 4.550 0.012 0.000 0.293 1050 Y C 1.958 177.721 175.900 -0.230 0.000 1.124 1050 Y CA 1.047 59.090 58.100 -0.094 0.000 1.159 1050 Y CB 0.048 38.481 38.460 -0.046 0.000 1.008 1050 Y HN 0.023 nan 8.280 nan 0.000 0.527 1051 I N 0.333 120.729 120.570 -0.290 0.000 2.614 1051 I HA -0.263 3.914 4.170 0.012 0.000 0.258 1051 I C 2.090 178.010 176.117 -0.329 0.000 1.189 1051 I CA 0.986 62.007 61.300 -0.465 0.000 1.462 1051 I CB -0.198 37.347 38.000 -0.759 0.000 1.092 1051 I HN 0.309 nan 8.210 nan 0.000 0.442 1052 R N 0.546 120.904 120.500 -0.237 0.000 2.070 1052 R HA -0.172 4.175 4.340 0.012 0.000 0.233 1052 R C 1.859 178.040 176.300 -0.198 0.000 1.137 1052 R CA 1.899 57.897 56.100 -0.169 0.000 0.945 1052 R CB -0.490 29.745 30.300 -0.108 0.000 0.845 1052 R HN 0.390 nan 8.270 nan 0.000 0.430 1053 D N 0.802 121.053 120.400 -0.248 0.000 2.117 1053 D HA -0.132 4.515 4.640 0.012 0.000 0.197 1053 D C 1.882 178.020 176.300 -0.271 0.000 0.987 1053 D CA 1.523 55.375 54.000 -0.246 0.000 0.829 1053 D CB -0.358 40.300 40.800 -0.236 0.000 0.961 1053 D HN 0.256 nan 8.370 nan 0.000 0.460 1054 A N 0.751 123.306 122.820 -0.442 0.000 1.940 1054 A HA -0.123 4.204 4.320 0.012 0.000 0.219 1054 A C 2.197 179.811 177.584 0.049 0.000 1.176 1054 A CA 0.982 52.790 52.037 -0.382 0.000 0.631 1054 A CB -0.679 17.885 19.000 -0.726 0.000 0.814 1054 A HN 0.243 nan 8.150 nan 0.000 0.446 1055 L N 0.558 121.744 121.223 -0.062 0.000 2.611 1055 L HA 0.044 4.391 4.340 0.012 0.000 0.229 1055 L C 0.957 177.787 176.870 -0.067 0.000 1.137 1055 L CA 0.555 55.376 54.840 -0.031 0.000 0.901 1055 L CB -0.595 41.389 42.059 -0.124 0.000 1.098 1055 L HN 0.641 nan 8.230 nan 0.000 0.456 1056 T N -2.561 111.931 114.554 -0.103 0.000 3.549 1056 T HA -0.187 4.171 4.350 0.012 0.000 0.398 1056 T C 0.165 174.794 174.700 -0.118 0.000 0.766 1056 T CA -0.173 61.821 62.100 -0.178 0.000 2.007 1056 T CB -2.890 65.865 68.868 -0.189 0.000 1.727 1056 T HN -0.008 nan 8.240 nan 0.000 0.693 1057 V N 1.451 121.299 119.914 -0.109 0.000 2.617 1057 V HA 0.419 4.546 4.120 0.012 0.000 0.304 1057 V C 1.890 177.948 176.094 -0.060 0.000 1.040 1057 V CA 1.113 63.365 62.300 -0.079 0.000 1.149 1057 V CB 0.084 31.864 31.823 -0.071 0.000 0.914 1057 V HN 2.071 nan 8.190 nan 0.000 0.487 1058 G N 3.798 112.573 108.800 -0.043 0.000 2.324 1058 G HA2 -0.182 3.785 3.960 0.012 0.000 0.292 1058 G HA3 -0.182 3.785 3.960 0.012 0.000 0.292 1058 G C -0.217 174.668 174.900 -0.026 0.000 1.079 1058 G CA -0.011 45.072 45.100 -0.028 0.000 1.026 1058 G HN 0.562 nan 8.290 nan 0.000 0.506 1059 K N -0.490 119.896 120.400 -0.024 0.000 2.512 1059 K HA 0.399 4.726 4.320 0.012 0.000 0.263 1059 K C -0.002 176.600 176.600 0.004 0.000 0.966 1059 K CA -1.152 55.128 56.287 -0.012 0.000 0.851 1059 K CB 1.125 33.611 32.500 -0.024 0.000 1.395 1059 K HN 0.152 nan 8.250 nan 0.000 0.440 1060 N N 1.416 120.127 118.700 0.018 0.000 2.482 1060 N HA 0.045 4.792 4.740 0.012 0.000 0.260 1060 N C 1.038 176.571 175.510 0.039 0.000 1.236 1060 N CA -0.041 53.025 53.050 0.027 0.000 0.938 1060 N CB 0.717 39.222 38.487 0.031 0.000 1.128 1060 N HN 0.481 nan 8.380 nan 0.000 0.448 1061 E N 1.060 121.284 120.200 0.039 0.000 2.118 1061 E HA -0.206 4.151 4.350 0.012 0.000 0.195 1061 E C 0.941 177.581 176.600 0.065 0.000 0.992 1061 E CA 1.235 57.662 56.400 0.044 0.000 0.804 1061 E CB 0.130 29.856 29.700 0.043 0.000 0.741 1061 E HN 0.586 nan 8.360 nan 0.000 0.458 1062 E N 0.743 120.978 120.200 0.059 0.000 2.031 1062 E HA -0.192 4.165 4.350 0.012 0.000 0.193 1062 E C 1.866 178.520 176.600 0.090 0.000 0.994 1062 E CA 1.215 57.654 56.400 0.066 0.000 0.800 1062 E CB -0.037 29.694 29.700 0.051 0.000 0.752 1062 E HN 0.237 nan 8.360 nan 0.000 0.447 1063 D N 0.784 121.236 120.400 0.086 0.000 2.092 1063 D HA -0.192 4.455 4.640 0.012 0.000 0.193 1063 D C 1.969 178.373 176.300 0.173 0.000 0.994 1063 D CA 1.473 55.538 54.000 0.108 0.000 0.828 1063 D CB -0.386 40.461 40.800 0.078 0.000 0.963 1063 D HN 0.173 nan 8.370 nan 0.000 0.450 1064 A N 1.422 124.350 122.820 0.179 0.000 1.883 1064 A HA -0.252 4.075 4.320 0.012 0.000 0.217 1064 A C 2.099 179.921 177.584 0.396 0.000 1.186 1064 A CA 2.245 54.474 52.037 0.319 0.000 0.624 1064 A CB -0.659 18.504 19.000 0.271 0.000 0.822 1064 A HN 0.257 nan 8.150 nan 0.000 0.444 1065 K N 0.087 120.644 120.400 0.262 0.000 2.059 1065 K HA -0.257 4.071 4.320 0.012 0.000 0.212 1065 K C 1.943 178.651 176.600 0.180 0.000 1.050 1065 K CA 2.069 58.478 56.287 0.204 0.000 0.927 1065 K CB -0.258 32.312 32.500 0.117 0.000 0.714 1065 K HN 0.498 nan 8.250 nan 0.000 0.447 1066 K N -0.509 119.986 120.400 0.158 0.000 2.097 1066 K HA -0.181 4.146 4.320 0.012 0.000 0.205 1066 K C 2.197 178.869 176.600 0.121 0.000 1.050 1066 K CA 1.505 57.862 56.287 0.116 0.000 0.938 1066 K CB -0.418 32.142 32.500 0.100 0.000 0.718 1066 K HN 0.265 nan 8.250 nan 0.000 0.442 1067 Y N 0.829 121.170 120.300 0.068 0.000 2.114 1067 Y HA -0.322 4.235 4.550 0.012 0.000 0.282 1067 Y C 2.043 177.923 175.900 -0.034 0.000 1.165 1067 Y CA 1.656 59.783 58.100 0.046 0.000 1.148 1067 Y CB -0.328 38.201 38.460 0.115 0.000 0.972 1067 Y HN 0.020 nan 8.280 nan 0.000 0.504 1068 F N 0.030 119.862 119.950 -0.197 0.000 2.206 1068 F HA -0.142 4.392 4.527 0.012 0.000 0.298 1068 F C 1.934 177.550 175.800 -0.307 0.000 1.090 1068 F CA 1.353 59.074 58.000 -0.465 0.000 1.323 1068 F CB -0.407 38.225 39.000 -0.613 0.000 1.028 1068 F HN 0.041 nan 8.300 nan 0.000 0.492 1069 L N -0.116 121.076 121.223 -0.051 0.000 2.127 1069 L HA -0.243 4.104 4.340 0.012 0.000 0.211 1069 L C 2.046 178.823 176.870 -0.155 0.000 1.089 1069 L CA 1.280 56.081 54.840 -0.066 0.000 0.757 1069 L CB -0.736 41.332 42.059 0.016 0.000 0.899 1069 L HN 0.115 nan 8.230 nan 0.000 0.434 1070 D N -0.586 119.691 120.400 -0.206 0.000 2.117 1070 D HA -0.168 4.480 4.640 0.012 0.000 0.198 1070 D C 2.317 178.409 176.300 -0.347 0.000 0.982 1070 D CA 0.922 54.785 54.000 -0.227 0.000 0.828 1070 D CB -0.129 40.542 40.800 -0.215 0.000 0.967 1070 D HN 0.319 nan 8.370 nan 0.000 0.464 1071 Q N 0.528 119.988 119.800 -0.566 0.000 2.096 1071 Q HA -0.112 4.235 4.340 0.012 0.000 0.204 1071 Q C 2.620 178.245 176.000 -0.625 0.000 0.982 1071 Q CA 0.631 56.013 55.803 -0.703 0.000 0.850 1071 Q CB -0.382 27.709 28.738 -1.077 0.000 0.901 1071 Q HN 0.450 nan 8.270 nan 0.000 0.422 1072 I N 1.127 121.417 120.570 -0.466 0.000 2.163 1072 I HA -0.249 3.928 4.170 0.012 0.000 0.243 1072 I C 2.136 178.178 176.117 -0.124 0.000 1.085 1072 I CA 1.126 62.322 61.300 -0.173 0.000 1.347 1072 I CB -0.316 37.711 38.000 0.044 0.000 1.044 1072 I HN 0.152 nan 8.210 nan 0.000 0.408 1073 E N 0.497 120.629 120.200 -0.112 0.000 2.204 1073 E HA -0.143 4.215 4.350 0.012 0.000 0.195 1073 E C 2.339 178.864 176.600 -0.126 0.000 0.990 1073 E CA 0.963 57.320 56.400 -0.073 0.000 0.821 1073 E CB -0.233 29.434 29.700 -0.055 0.000 0.750 1073 E HN 0.377 nan 8.360 nan 0.000 0.477 1074 V N 0.402 120.194 119.914 -0.203 0.000 2.515 1074 V HA -0.238 3.889 4.120 0.012 0.000 0.250 1074 V C 2.428 178.399 176.094 -0.205 0.000 1.058 1074 V CA 1.323 63.502 62.300 -0.201 0.000 1.064 1074 V CB -0.537 31.137 31.823 -0.247 0.000 0.675 1074 V HN 0.311 nan 8.190 nan 0.000 0.461 1075 C N -0.190 118.951 119.300 -0.265 0.000 2.450 1075 C HA -0.051 4.416 4.460 0.012 0.000 0.279 1075 C C 2.843 177.731 174.990 -0.170 0.000 1.335 1075 C CA 0.426 59.301 59.018 -0.239 0.000 1.749 1075 C CB -1.113 26.460 27.740 -0.277 0.000 1.963 1075 C HN 0.487 nan 8.230 nan 0.000 0.501 1076 R N 1.089 121.511 120.500 -0.130 0.000 2.090 1076 R HA -0.071 4.277 4.340 0.012 0.000 0.228 1076 R C 1.342 177.579 176.300 -0.105 0.000 1.110 1076 R CA 1.292 57.322 56.100 -0.115 0.000 0.973 1076 R CB -0.519 29.731 30.300 -0.084 0.000 0.869 1076 R HN 0.515 nan 8.270 nan 0.000 0.440 1077 D N 0.369 120.714 120.400 -0.093 0.000 2.277 1077 D HA -0.060 4.588 4.640 0.012 0.000 0.208 1077 D C 1.627 177.889 176.300 -0.063 0.000 0.962 1077 D CA 0.890 54.848 54.000 -0.071 0.000 0.865 1077 D CB 0.159 40.920 40.800 -0.064 0.000 0.939 1077 D HN -0.029 nan 8.370 nan 0.000 0.510 1078 K N -0.141 120.211 120.400 -0.079 0.000 2.242 1078 K HA 0.179 4.506 4.320 0.012 0.000 0.200 1078 K C 1.597 178.167 176.600 -0.050 0.000 1.050 1078 K CA 0.792 57.047 56.287 -0.052 0.000 0.981 1078 K CB -0.187 32.281 32.500 -0.054 0.000 0.795 1078 K HN 0.161 nan 8.250 nan 0.000 0.477 1079 G N 1.067 109.792 108.800 -0.125 0.000 2.634 1079 G HA2 -0.334 3.634 3.960 0.012 0.000 0.318 1079 G HA3 -0.334 3.634 3.960 0.012 0.000 0.318 1079 G C 0.619 175.373 174.900 -0.243 0.000 1.207 1079 G CA 0.570 45.542 45.100 -0.212 0.000 0.987 1079 G HN 0.438 nan 8.290 nan 0.000 0.547 1080 W N 1.385 122.715 121.300 0.049 0.000 3.290 1080 W HA 0.356 5.023 4.660 0.012 0.000 0.287 1080 W C 2.743 179.386 176.519 0.207 0.000 1.288 1080 W CA 0.602 58.033 57.345 0.144 0.000 1.725 1080 W CB 0.002 29.595 29.460 0.221 0.000 1.103 1080 W HN 0.504 nan 8.180 nan 0.000 0.670 1081 T N 0.597 115.324 114.554 0.288 0.000 2.597 1081 T HA -0.302 4.055 4.350 0.012 0.000 0.267 1081 T C 1.882 176.760 174.700 0.297 0.000 1.053 1081 T CA 2.068 64.314 62.100 0.244 0.000 1.165 1081 T CB -0.839 68.099 68.868 0.117 0.000 0.863 1081 T HN 0.064 nan 8.240 nan 0.000 0.427 1082 V N 1.109 121.159 119.914 0.225 0.000 2.427 1082 V HA -0.146 3.981 4.120 0.012 0.000 0.248 1082 V C 2.514 178.843 176.094 0.392 0.000 1.051 1082 V CA 1.643 64.063 62.300 0.199 0.000 1.048 1082 V CB -0.467 31.463 31.823 0.178 0.000 0.666 1082 V HN 0.408 nan 8.190 nan 0.000 0.456 1083 Q N -0.590 119.527 119.800 0.528 0.000 2.050 1083 Q HA -0.207 4.141 4.340 0.012 0.000 0.202 1083 Q C 2.101 178.590 176.000 0.814 0.000 0.980 1083 Q CA 2.353 58.569 55.803 0.688 0.000 0.840 1083 Q CB -0.712 28.361 28.738 0.558 0.000 0.898 1083 Q HN 0.757 nan 8.270 nan 0.000 0.424 1084 F N 2.392 122.736 119.950 0.655 0.000 2.161 1084 F HA -0.236 4.298 4.527 0.012 0.000 0.300 1084 F C 1.624 177.638 175.800 0.357 0.000 1.089 1084 F CA 1.454 59.735 58.000 0.467 0.000 1.282 1084 F CB -0.172 38.959 39.000 0.218 0.000 1.010 1084 F HN 0.101 nan 8.300 nan 0.000 0.485 1085 N N -0.341 118.519 118.700 0.268 0.000 2.142 1085 N HA -0.192 4.555 4.740 0.012 0.000 0.186 1085 N C 1.583 177.079 175.510 -0.022 0.000 1.023 1085 N CA 1.742 54.804 53.050 0.020 0.000 0.852 1085 N CB -0.885 37.583 38.487 -0.032 0.000 0.998 1085 N HN 0.479 nan 8.380 nan 0.000 0.424 1086 W N 0.101 121.468 121.300 0.112 0.000 2.342 1086 W HA -0.085 4.582 4.660 0.013 0.000 0.297 1086 W C 1.915 178.320 176.519 -0.190 0.000 1.213 1086 W CA 0.257 57.584 57.345 -0.029 0.000 1.251 1086 W CB -0.511 28.981 29.460 0.053 0.000 1.136 1086 W HN 0.025 nan 8.180 nan 0.000 0.526 1087 F N 0.247 120.237 119.950 0.066 0.000 2.234 1087 F HA -0.145 4.389 4.527 0.012 0.000 0.299 1087 F C 1.898 177.608 175.800 -0.149 0.000 1.087 1087 F CA 1.545 59.531 58.000 -0.023 0.000 1.340 1087 F CB -0.299 38.766 39.000 0.108 0.000 1.031 1087 F HN -0.244 nan 8.300 nan 0.000 0.500 1088 L N -1.035 120.108 121.223 -0.132 0.000 2.131 1088 L HA -0.151 4.196 4.340 0.012 0.000 0.206 1088 L C 2.431 179.229 176.870 -0.120 0.000 1.087 1088 L CA 0.993 55.715 54.840 -0.197 0.000 0.767 1088 L CB -0.873 41.054 42.059 -0.220 0.000 0.917 1088 L HN 0.215 nan 8.230 nan 0.000 0.441 1089 H N 0.486 119.457 119.070 -0.164 0.000 2.287 1089 H HA -0.002 4.561 4.556 0.012 0.000 0.309 1089 H C 2.201 177.466 175.328 -0.105 0.000 1.059 1089 H CA 1.403 57.383 56.048 -0.114 0.000 1.357 1089 H CB -0.167 29.542 29.762 -0.089 0.000 1.409 1089 H HN 0.091 nan 8.280 nan 0.000 0.515 1090 L N -0.161 121.081 121.223 0.031 0.000 2.027 1090 L HA -0.135 4.213 4.340 0.012 0.000 0.206 1090 L C 2.769 179.548 176.870 -0.152 0.000 1.074 1090 L CA 1.154 55.933 54.840 -0.101 0.000 0.745 1090 L CB -0.230 41.706 42.059 -0.205 0.000 0.898 1090 L HN 0.114 nan 8.230 nan 0.000 0.433 1091 V N -0.503 119.230 119.914 -0.300 0.000 2.379 1091 V HA -0.117 4.010 4.120 0.012 0.000 0.245 1091 V C 1.104 177.013 176.094 -0.309 0.000 1.044 1091 V CA 1.156 63.213 62.300 -0.406 0.000 1.036 1091 V CB -0.173 31.093 31.823 -0.929 0.000 0.664 1091 V HN 0.182 nan 8.190 nan 0.000 0.453 1092 L N 0.000 121.059 121.223 -0.273 0.000 2.949 1092 L HA 0.000 4.347 4.340 0.012 0.000 0.249 1092 L CA 0.000 54.740 54.840 -0.167 0.000 0.813 1092 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502