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 3dbs_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM AXXXXXXXXX XXXXEQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXCDRKFR VKIRGIDIPV LPRNTDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXLLY YVNLLLIDHR FLLRRGEYVL HMWQISGXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN XXHPIAXXXX XXXXXXXXXX DATA SEQUENCE XRAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHXXXXX XXXXXXXXER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 143 M HA 0.000 nan 4.480 nan 0.000 0.227 143 M C 0.000 176.308 176.300 0.014 0.000 1.140 143 M CA 0.000 55.311 55.300 0.018 0.000 0.988 143 M CB 0.000 32.616 32.600 0.027 0.000 1.302 144 S N -1.114 114.596 115.700 0.018 0.000 2.565 144 S HA 0.590 5.058 4.470 -0.003 0.000 0.269 144 S C 0.261 174.872 174.600 0.019 0.000 1.153 144 S CA 0.662 58.870 58.200 0.013 0.000 0.835 144 S CB 1.385 64.588 63.200 0.005 0.000 1.122 144 S HN 0.936 nan 8.310 nan 0.000 0.462 145 E N 1.050 121.258 120.200 0.014 0.000 2.021 145 E HA -0.154 4.194 4.350 -0.003 0.000 0.200 145 E C 1.319 177.934 176.600 0.025 0.000 1.015 145 E CA 1.724 58.134 56.400 0.017 0.000 0.824 145 E CB -0.088 29.619 29.700 0.011 0.000 0.762 145 E HN 0.695 nan 8.360 nan 0.000 0.454 146 E N 0.068 120.281 120.200 0.022 0.000 2.358 146 E HA -0.085 4.263 4.350 -0.003 0.000 0.195 146 E C 2.006 178.640 176.600 0.056 0.000 1.010 146 E CA 0.262 56.682 56.400 0.033 0.000 0.856 146 E CB 0.123 29.833 29.700 0.016 0.000 0.795 146 E HN 0.070 nan 8.360 nan 0.000 0.504 147 S N 0.450 116.178 115.700 0.046 0.000 2.423 147 S HA -0.152 4.316 4.470 -0.003 0.000 0.231 147 S C 1.782 176.460 174.600 0.130 0.000 1.014 147 S CA 1.060 59.303 58.200 0.072 0.000 0.965 147 S CB 0.125 63.349 63.200 0.039 0.000 0.785 147 S HN 0.213 nan 8.310 nan 0.000 0.495 148 Q N -0.179 119.674 119.800 0.089 0.000 2.302 148 Q HA 0.340 4.678 4.340 -0.003 0.000 0.202 148 Q C 2.304 178.350 176.000 0.077 0.000 0.936 148 Q CA 0.790 56.638 55.803 0.076 0.000 0.886 148 Q CB -0.189 28.575 28.738 0.043 0.000 0.986 148 Q HN 0.671 nan 8.270 nan 0.000 0.487 149 A N 0.045 122.917 122.820 0.087 0.000 2.121 149 A HA -0.156 4.162 4.320 -0.003 0.000 0.218 149 A C 1.662 179.328 177.584 0.137 0.000 1.154 149 A CA 0.695 52.783 52.037 0.085 0.000 0.679 149 A CB -0.489 18.555 19.000 0.073 0.000 0.795 149 A HN 0.451 nan 8.150 nan 0.000 0.458 150 F N 0.576 120.528 119.950 0.004 0.000 2.163 150 F HA -0.089 4.437 4.527 -0.002 0.000 0.297 150 F C 2.252 178.057 175.800 0.008 0.000 1.094 150 F CA 1.964 59.967 58.000 0.006 0.000 1.290 150 F CB -0.413 38.588 39.000 0.002 0.000 1.017 150 F HN 0.343 nan 8.300 nan 0.000 0.483 151 Q N 0.995 120.771 119.800 -0.040 0.000 2.297 151 Q HA -0.150 4.188 4.340 -0.003 0.000 0.204 151 Q C 2.184 178.113 176.000 -0.117 0.000 0.962 151 Q CA 1.601 57.319 55.803 -0.141 0.000 0.879 151 Q CB -0.351 28.370 28.738 -0.029 0.000 0.947 151 Q HN 0.579 nan 8.270 nan 0.000 0.462 152 R N -0.517 119.947 120.500 -0.060 0.000 2.240 152 R HA -0.060 4.278 4.340 -0.003 0.000 0.203 152 R C 2.024 178.291 176.300 -0.055 0.000 1.011 152 R CA 1.115 57.187 56.100 -0.046 0.000 1.007 152 R CB -0.316 29.974 30.300 -0.016 0.000 0.911 152 R HN 0.376 nan 8.270 nan 0.000 0.468 153 Q N 1.488 121.243 119.800 -0.076 0.000 2.083 153 Q HA -0.035 4.303 4.340 -0.003 0.000 0.198 153 Q C 2.039 177.959 176.000 -0.133 0.000 0.969 153 Q CA 1.108 56.864 55.803 -0.078 0.000 0.838 153 Q CB -0.068 28.642 28.738 -0.047 0.000 0.900 153 Q HN 0.451 nan 8.270 nan 0.000 0.436 154 L N 0.345 121.418 121.223 -0.251 0.000 2.046 154 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 154 L C 2.355 179.155 176.870 -0.116 0.000 1.077 154 L CA 1.659 56.358 54.840 -0.235 0.000 0.747 154 L CB -0.513 41.345 42.059 -0.336 0.000 0.896 154 L HN 0.341 nan 8.230 nan 0.000 0.432 155 T N -0.433 114.065 114.554 -0.094 0.000 2.915 155 T HA -0.078 4.270 4.350 -0.003 0.000 0.269 155 T C 1.917 176.594 174.700 -0.038 0.000 1.071 155 T CA 1.053 63.120 62.100 -0.056 0.000 1.132 155 T CB -0.074 68.756 68.868 -0.062 0.000 0.878 155 T HN 0.436 nan 8.240 nan 0.000 0.479 156 A N 1.046 123.844 122.820 -0.036 0.000 1.929 156 A HA 0.151 4.470 4.320 -0.003 0.000 0.216 156 A C 2.182 179.767 177.584 0.001 0.000 1.176 156 A CA 0.896 52.925 52.037 -0.013 0.000 0.628 156 A CB -0.550 18.447 19.000 -0.005 0.000 0.816 156 A HN 0.465 nan 8.150 nan 0.000 0.444 157 L N -0.882 120.341 121.223 0.000 0.000 2.179 157 L HA 0.010 4.348 4.340 -0.003 0.000 0.208 157 L C 2.264 179.094 176.870 -0.068 0.000 1.096 157 L CA 0.630 55.493 54.840 0.039 0.000 0.779 157 L CB -0.304 41.814 42.059 0.097 0.000 0.922 157 L HN 0.326 nan 8.230 nan 0.000 0.443 158 I N -0.287 120.234 120.570 -0.081 0.000 2.406 158 I HA -0.063 4.105 4.170 -0.003 0.000 0.249 158 I C 1.584 177.653 176.117 -0.079 0.000 1.122 158 I CA 0.994 62.219 61.300 -0.124 0.000 1.431 158 I CB -0.418 37.557 38.000 -0.041 0.000 1.087 158 I HN 0.417 nan 8.210 nan 0.000 0.424 159 G N 0.370 109.160 108.800 -0.017 0.000 2.160 159 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.244 159 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.244 159 G C -0.137 174.835 174.900 0.120 0.000 1.022 159 G CA 0.240 45.356 45.100 0.028 0.000 0.741 159 G HN 0.418 nan 8.290 nan 0.000 0.508 160 Y N -0.768 119.504 120.300 -0.047 0.000 2.573 160 Y HA 0.472 5.020 4.550 -0.003 0.000 0.328 160 Y C -1.583 174.295 175.900 -0.038 0.000 1.170 160 Y CA -1.030 57.050 58.100 -0.033 0.000 1.078 160 Y CB 1.760 40.205 38.460 -0.025 0.000 1.341 160 Y HN 0.077 nan 8.280 nan 0.000 0.459 161 D N 3.551 123.681 120.400 -0.451 0.000 2.428 161 D HA 0.242 4.880 4.640 -0.003 0.000 0.221 161 D C 0.783 177.048 176.300 -0.057 0.000 1.123 161 D CA -0.046 53.817 54.000 -0.228 0.000 0.869 161 D CB 1.373 42.004 40.800 -0.283 0.000 1.032 161 D HN 0.479 nan 8.370 nan 0.000 0.506 162 V N 1.810 121.788 119.914 0.108 0.000 3.380 162 V HA -0.025 4.093 4.120 -0.003 0.000 0.268 162 V C 1.611 177.746 176.094 0.067 0.000 1.168 162 V CA 1.544 63.932 62.300 0.146 0.000 1.156 162 V CB -0.980 30.900 31.823 0.096 0.000 0.785 162 V HN 0.614 nan 8.190 nan 0.000 0.487 163 T N -2.963 111.604 114.554 0.021 0.000 3.081 163 T HA 0.075 4.424 4.350 -0.003 0.000 0.255 163 T C 0.584 175.286 174.700 0.002 0.000 1.113 163 T CA 0.429 62.535 62.100 0.011 0.000 1.082 163 T CB -0.499 68.368 68.868 -0.002 0.000 0.939 163 T HN 0.550 nan 8.240 nan 0.000 0.506 164 D N 1.305 121.694 120.400 -0.018 0.000 2.414 164 D HA 0.264 4.902 4.640 -0.003 0.000 0.242 164 D C 0.759 177.067 176.300 0.015 0.000 1.129 164 D CA 0.267 54.250 54.000 -0.029 0.000 0.885 164 D CB 1.059 41.801 40.800 -0.097 0.000 1.198 164 D HN 0.190 nan 8.370 nan 0.000 0.437 165 V N 0.489 120.409 119.914 0.011 0.000 3.070 165 V HA 0.177 4.295 4.120 -0.003 0.000 0.355 165 V C 1.037 177.143 176.094 0.019 0.000 1.400 165 V CA 0.198 62.513 62.300 0.025 0.000 1.170 165 V CB -0.126 31.713 31.823 0.028 0.000 1.169 165 V HN 0.512 nan 8.190 nan 0.000 0.554 166 S N -0.290 115.415 115.700 0.008 0.000 2.562 166 S HA 0.121 4.589 4.470 -0.003 0.000 0.221 166 S C 0.928 175.530 174.600 0.002 0.000 0.975 166 S CA 1.029 59.227 58.200 -0.003 0.000 0.918 166 S CB -0.423 62.761 63.200 -0.025 0.000 0.772 166 S HN 0.628 nan 8.310 nan 0.000 0.531 167 N N 0.880 119.594 118.700 0.024 0.000 2.646 167 N HA 0.301 5.039 4.740 -0.003 0.000 0.303 167 N C -1.014 174.526 175.510 0.049 0.000 1.921 167 N CA -0.285 52.783 53.050 0.031 0.000 0.872 167 N CB 1.342 39.848 38.487 0.031 0.000 1.327 167 N HN 0.295 nan 8.380 nan 0.000 0.492 168 V N -0.979 118.963 119.914 0.048 0.000 3.049 168 V HA 0.559 4.678 4.120 -0.003 0.000 0.309 168 V C 0.392 176.522 176.094 0.060 0.000 1.148 168 V CA -0.788 61.512 62.300 0.001 0.000 0.990 168 V CB 1.876 33.689 31.823 -0.017 0.000 1.039 168 V HN 0.421 nan 8.190 nan 0.000 0.430 169 H N 0.186 119.334 119.070 0.130 0.000 2.923 169 H HA 0.433 4.987 4.556 -0.003 0.000 0.268 169 H C -0.550 174.894 175.328 0.194 0.000 1.148 169 H CA 0.364 56.512 56.048 0.168 0.000 1.146 169 H CB 0.891 30.819 29.762 0.277 0.000 1.607 169 H HN 0.880 nan 8.280 nan 0.000 0.566 170 D N 0.772 121.148 120.400 -0.041 0.000 3.103 170 D HA -0.012 4.626 4.640 -0.003 0.000 0.337 170 D C -0.307 176.023 176.300 0.051 0.000 1.356 170 D CA -0.297 53.749 54.000 0.078 0.000 0.951 170 D CB 0.368 41.260 40.800 0.155 0.000 1.438 170 D HN 0.072 nan 8.370 nan 0.000 0.562 171 D N -1.177 119.297 120.400 0.123 0.000 2.623 171 D HA 0.055 4.693 4.640 -0.003 0.000 0.252 171 D C 0.658 176.941 176.300 -0.027 0.000 1.294 171 D CA -0.238 53.822 54.000 0.101 0.000 0.824 171 D CB 0.286 41.189 40.800 0.172 0.000 1.070 171 D HN 0.554 nan 8.370 nan 0.000 0.487 172 E N 0.737 120.797 120.200 -0.233 0.000 2.058 172 E HA -0.154 4.194 4.350 -0.003 0.000 0.194 172 E C 1.897 178.464 176.600 -0.054 0.000 0.997 172 E CA 0.814 56.856 56.400 -0.597 0.000 0.801 172 E CB 0.046 29.517 29.700 -0.381 0.000 0.746 172 E HN 0.310 nan 8.360 nan 0.000 0.450 173 L N 0.775 122.047 121.223 0.083 0.000 2.083 173 L HA -0.170 4.168 4.340 -0.003 0.000 0.209 173 L C 2.716 179.627 176.870 0.069 0.000 1.083 173 L CA 1.025 55.904 54.840 0.064 0.000 0.752 173 L CB -0.275 41.773 42.059 -0.019 0.000 0.899 173 L HN 0.171 nan 8.230 nan 0.000 0.433 174 E N -0.413 119.838 120.200 0.086 0.000 2.158 174 E HA -0.174 4.175 4.350 -0.003 0.000 0.191 174 E C 1.997 178.678 176.600 0.135 0.000 0.982 174 E CA 0.766 57.224 56.400 0.096 0.000 0.823 174 E CB -0.011 29.745 29.700 0.094 0.000 0.766 174 E HN 0.429 nan 8.360 nan 0.000 0.468 175 F N 1.364 121.320 119.950 0.010 0.000 2.216 175 F HA -0.165 4.360 4.527 -0.003 0.000 0.300 175 F C 2.052 177.875 175.800 0.039 0.000 1.085 175 F CA 1.592 59.618 58.000 0.045 0.000 1.326 175 F CB -0.008 39.032 39.000 0.068 0.000 1.027 175 F HN -0.084 nan 8.300 nan 0.000 0.497 176 T N 0.468 115.154 114.554 0.219 0.000 2.942 176 T HA -0.058 4.290 4.350 -0.003 0.000 0.265 176 T C 1.929 176.650 174.700 0.035 0.000 1.062 176 T CA 0.920 63.100 62.100 0.134 0.000 1.139 176 T CB -0.222 68.757 68.868 0.186 0.000 0.883 176 T HN 0.273 nan 8.240 nan 0.000 0.468 177 R N 1.072 121.591 120.500 0.031 0.000 2.091 177 R HA 0.019 4.357 4.340 -0.003 0.000 0.238 177 R C 2.687 178.977 176.300 -0.018 0.000 1.136 177 R CA 1.191 57.300 56.100 0.015 0.000 0.959 177 R CB -0.168 30.147 30.300 0.025 0.000 0.856 177 R HN 0.345 nan 8.270 nan 0.000 0.437 178 R N -0.450 120.014 120.500 -0.060 0.000 2.115 178 R HA -0.024 4.314 4.340 -0.003 0.000 0.226 178 R C 2.337 178.545 176.300 -0.154 0.000 1.100 178 R CA 1.098 57.137 56.100 -0.102 0.000 0.980 178 R CB -0.274 29.948 30.300 -0.130 0.000 0.875 178 R HN 0.313 nan 8.270 nan 0.000 0.445 179 G N 1.047 109.714 108.800 -0.221 0.000 2.422 179 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.218 179 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.218 179 G C 1.342 176.203 174.900 -0.066 0.000 1.140 179 G CA 0.257 45.239 45.100 -0.196 0.000 0.775 179 G HN 0.143 nan 8.290 nan 0.000 0.545 180 L N 0.645 121.851 121.223 -0.028 0.000 2.558 180 L HA 0.104 4.442 4.340 -0.003 0.000 0.225 180 L C 2.561 179.436 176.870 0.008 0.000 1.128 180 L CA -0.323 54.524 54.840 0.011 0.000 0.868 180 L CB 0.185 42.265 42.059 0.035 0.000 1.006 180 L HN 0.024 nan 8.230 nan 0.000 0.454 181 V N -0.342 119.567 119.914 -0.009 0.000 2.343 181 V HA -0.280 3.838 4.120 -0.003 0.000 0.247 181 V C 2.509 178.601 176.094 -0.003 0.000 1.051 181 V CA 2.330 64.628 62.300 -0.004 0.000 1.036 181 V CB -0.593 31.223 31.823 -0.011 0.000 0.654 181 V HN 0.461 nan 8.190 nan 0.000 0.451 182 T N 0.185 114.734 114.554 -0.008 0.000 2.668 182 T HA -0.081 4.267 4.350 -0.003 0.000 0.262 182 T C 0.030 174.734 174.700 0.007 0.000 1.045 182 T CA 1.911 64.010 62.100 -0.003 0.000 1.152 182 T CB -1.178 67.687 68.868 -0.005 0.000 0.864 182 T HN 0.416 nan 8.240 nan 0.000 0.419 183 P HA -0.108 nan 4.420 nan 0.000 0.216 183 P C 1.437 178.749 177.300 0.019 0.000 1.150 183 P CA 1.215 64.331 63.100 0.026 0.000 0.843 183 P CB -0.044 31.681 31.700 0.042 0.000 0.787 184 R N -0.155 120.355 120.500 0.018 0.000 2.070 184 R HA -0.076 4.262 4.340 -0.003 0.000 0.233 184 R C 2.160 178.455 176.300 -0.008 0.000 1.137 184 R CA 2.051 58.158 56.100 0.012 0.000 0.945 184 R CB -0.729 29.581 30.300 0.016 0.000 0.845 184 R HN 0.056 nan 8.270 nan 0.000 0.430 185 M N 0.212 119.807 119.600 -0.008 0.000 2.229 185 M HA -0.020 4.458 4.480 -0.003 0.000 0.264 185 M C 2.471 178.759 176.300 -0.021 0.000 1.063 185 M CA 1.483 56.772 55.300 -0.018 0.000 1.114 185 M CB -0.486 32.106 32.600 -0.014 0.000 1.387 185 M HN 0.370 nan 8.290 nan 0.000 0.420 186 A N 0.662 123.475 122.820 -0.011 0.000 1.865 186 A HA -0.204 4.114 4.320 -0.003 0.000 0.217 186 A C 2.081 179.653 177.584 -0.019 0.000 1.191 186 A CA 2.159 54.190 52.037 -0.009 0.000 0.623 186 A CB -0.685 18.316 19.000 0.003 0.000 0.826 186 A HN 0.410 nan 8.150 nan 0.000 0.444 187 E N -0.117 120.071 120.200 -0.021 0.000 2.077 187 E HA -0.102 4.247 4.350 -0.003 0.000 0.193 187 E C 1.888 178.442 176.600 -0.076 0.000 0.989 187 E CA 1.476 57.854 56.400 -0.037 0.000 0.800 187 E CB -0.461 29.223 29.700 -0.028 0.000 0.746 187 E HN 0.250 nan 8.360 nan 0.000 0.452 188 V N 0.729 120.592 119.914 -0.084 0.000 2.295 188 V HA -0.227 3.892 4.120 -0.003 0.000 0.246 188 V C 2.358 178.389 176.094 -0.104 0.000 1.049 188 V CA 1.858 64.081 62.300 -0.128 0.000 1.024 188 V CB -0.940 30.822 31.823 -0.102 0.000 0.648 188 V HN 0.418 nan 8.190 nan 0.000 0.447 189 A N 0.374 123.154 122.820 -0.065 0.000 2.015 189 A HA -0.112 4.206 4.320 -0.003 0.000 0.219 189 A C 2.219 179.777 177.584 -0.043 0.000 1.163 189 A CA 1.751 53.759 52.037 -0.049 0.000 0.646 189 A CB -0.395 18.585 19.000 -0.032 0.000 0.806 189 A HN 0.685 nan 8.150 nan 0.000 0.448 190 S N -0.555 115.119 115.700 -0.043 0.000 2.575 190 S HA 0.209 4.677 4.470 -0.003 0.000 0.237 190 S C 0.514 175.093 174.600 -0.035 0.000 0.975 190 S CA -0.477 57.705 58.200 -0.030 0.000 0.960 190 S CB -0.286 62.905 63.200 -0.015 0.000 0.822 190 S HN 0.681 nan 8.310 nan 0.000 0.472 191 R N 0.920 121.381 120.500 -0.066 0.000 2.407 191 R HA 0.399 4.738 4.340 -0.003 0.000 0.303 191 R C -1.106 175.170 176.300 -0.040 0.000 0.981 191 R CA -0.596 55.461 56.100 -0.072 0.000 0.905 191 R CB 0.563 30.759 30.300 -0.174 0.000 1.099 191 R HN 0.025 nan 8.270 nan 0.000 0.459 192 D N 4.239 124.643 120.400 0.007 0.000 2.401 192 D HA 0.054 4.692 4.640 -0.003 0.000 0.254 192 D C -1.539 174.799 176.300 0.063 0.000 1.192 192 D CA -1.874 52.144 54.000 0.030 0.000 0.885 192 D CB 1.575 42.401 40.800 0.042 0.000 1.147 192 D HN 0.389 nan 8.370 nan 0.000 0.478 193 P HA -0.138 nan 4.420 nan 0.000 0.214 193 P C 1.293 178.641 177.300 0.081 0.000 1.163 193 P CA 1.229 64.375 63.100 0.077 0.000 0.883 193 P CB 0.342 32.061 31.700 0.032 0.000 0.788 194 K N -0.593 119.826 120.400 0.031 0.000 2.032 194 K HA -0.104 4.215 4.320 -0.003 0.000 0.209 194 K C 1.993 178.585 176.600 -0.013 0.000 1.048 194 K CA 1.326 57.607 56.287 -0.010 0.000 0.927 194 K CB -0.674 31.816 32.500 -0.017 0.000 0.712 194 K HN 0.130 nan 8.250 nan 0.000 0.441 195 L N -0.533 120.713 121.223 0.039 0.000 2.313 195 L HA -0.116 4.222 4.340 -0.003 0.000 0.214 195 L C 2.188 179.124 176.870 0.109 0.000 1.119 195 L CA 0.455 55.327 54.840 0.054 0.000 0.809 195 L CB -0.250 41.854 42.059 0.075 0.000 0.933 195 L HN 0.184 nan 8.230 nan 0.000 0.449 196 Y N 0.700 121.004 120.300 0.007 0.000 2.337 196 Y HA -0.061 4.487 4.550 -0.003 0.000 0.293 196 Y C 2.394 178.320 175.900 0.044 0.000 1.123 196 Y CA 0.743 58.863 58.100 0.033 0.000 1.201 196 Y CB -0.088 38.384 38.460 0.020 0.000 1.011 196 Y HN 0.071 nan 8.280 nan 0.000 0.545 197 A N -0.081 122.689 122.820 -0.083 0.000 1.968 197 A HA -0.090 4.228 4.320 -0.003 0.000 0.217 197 A C 2.129 179.598 177.584 -0.192 0.000 1.169 197 A CA 1.740 53.671 52.037 -0.177 0.000 0.638 197 A CB -0.522 18.397 19.000 -0.135 0.000 0.812 197 A HN 0.526 nan 8.150 nan 0.000 0.446 198 M N -0.846 118.590 119.600 -0.274 0.000 2.516 198 M HA 0.063 4.541 4.480 -0.003 0.000 0.259 198 M C 0.250 176.183 176.300 -0.613 0.000 1.146 198 M CA 0.591 55.568 55.300 -0.540 0.000 1.122 198 M CB -0.136 32.114 32.600 -0.584 0.000 1.341 198 M HN 0.769 nan 8.290 nan 0.000 0.478 199 H N -0.638 118.424 119.070 -0.014 0.000 2.604 199 H HA -0.071 4.483 4.556 -0.003 0.000 0.321 199 H C -2.471 172.948 175.328 0.150 0.000 1.132 199 H CA -0.336 55.737 56.048 0.042 0.000 1.129 199 H CB -2.496 27.246 29.762 -0.034 0.000 1.526 199 H HN 0.207 nan 8.280 nan 0.000 0.415 200 P HA -0.094 nan 4.420 nan 0.000 0.261 200 P C 0.234 177.740 177.300 0.343 0.000 1.183 200 P CA 0.359 63.626 63.100 0.279 0.000 0.761 200 P CB 0.308 32.172 31.700 0.274 0.000 0.785 201 W N 6.034 127.454 121.300 0.199 0.000 2.316 201 W HA 0.490 5.148 4.660 -0.003 0.000 0.308 201 W C -1.509 175.050 176.519 0.068 0.000 1.106 201 W CA -0.718 56.717 57.345 0.150 0.000 1.262 201 W CB 0.568 30.144 29.460 0.194 0.000 1.233 201 W HN 0.117 nan 8.180 nan 0.000 0.447 202 V N 4.920 124.963 119.914 0.215 0.000 3.120 202 V HA 0.595 4.714 4.120 -0.003 0.000 0.303 202 V C -0.740 175.337 176.094 -0.028 0.000 1.238 202 V CA -0.682 61.540 62.300 -0.130 0.000 1.008 202 V CB 2.493 34.131 31.823 -0.309 0.000 1.064 202 V HN 0.442 nan 8.190 nan 0.000 0.434 203 T N 0.845 115.341 114.554 -0.097 0.000 2.916 203 T HA 0.470 4.818 4.350 -0.003 0.000 0.305 203 T C 0.271 174.949 174.700 -0.037 0.000 1.119 203 T CA 0.202 62.286 62.100 -0.026 0.000 1.008 203 T CB 1.866 70.722 68.868 -0.021 0.000 1.129 203 T HN 0.661 nan 8.240 nan 0.000 0.480 204 S N 2.170 117.869 115.700 -0.002 0.000 2.540 204 S HA 0.279 4.747 4.470 -0.003 0.000 0.218 204 S C 0.567 175.171 174.600 0.008 0.000 0.977 204 S CA -0.421 57.779 58.200 0.000 0.000 0.918 204 S CB 0.018 63.224 63.200 0.011 0.000 0.806 204 S HN 0.583 nan 8.310 nan 0.000 0.496 205 K N 2.982 123.386 120.400 0.007 0.000 2.258 205 K HA 0.228 4.546 4.320 -0.003 0.000 0.264 205 K C -2.439 174.167 176.600 0.010 0.000 1.007 205 K CA -1.666 54.626 56.287 0.008 0.000 0.941 205 K CB 0.096 32.599 32.500 0.004 0.000 0.966 205 K HN 0.078 nan 8.250 nan 0.000 0.480 206 P HA -0.024 nan 4.420 nan 0.000 0.272 206 P C -0.427 176.892 177.300 0.031 0.000 1.223 206 P CA -0.079 63.054 63.100 0.055 0.000 0.784 206 P CB 0.533 32.270 31.700 0.061 0.000 0.923 207 L N 3.950 125.212 121.223 0.065 0.000 2.455 207 L HA 0.120 4.459 4.340 -0.003 0.000 0.272 207 L C -1.736 175.114 176.870 -0.034 0.000 1.174 207 L CA -1.463 53.330 54.840 -0.079 0.000 0.869 207 L CB 0.098 41.967 42.059 -0.316 0.000 1.130 207 L HN 0.300 nan 8.230 nan 0.000 0.474 208 P HA 0.022 nan 4.420 nan 0.000 0.271 208 P C 0.167 177.334 177.300 -0.220 0.000 1.233 208 P CA -0.261 62.613 63.100 -0.377 0.000 0.789 208 P CB 0.556 31.599 31.700 -1.095 0.000 0.951 209 E N 0.011 120.137 120.200 -0.123 0.000 2.106 209 E HA -0.197 4.151 4.350 -0.003 0.000 0.192 209 E C 1.461 178.074 176.600 0.022 0.000 0.984 209 E CA 1.194 57.618 56.400 0.040 0.000 0.806 209 E CB -0.445 29.293 29.700 0.063 0.000 0.750 209 E HN 0.621 nan 8.360 nan 0.000 0.458 210 Y N -0.967 119.354 120.300 0.035 0.000 2.632 210 Y HA 0.103 4.651 4.550 -0.003 0.000 0.301 210 Y C 1.420 177.296 175.900 -0.040 0.000 1.172 210 Y CA 0.307 58.395 58.100 -0.021 0.000 1.328 210 Y CB -0.293 38.116 38.460 -0.085 0.000 1.016 210 Y HN -0.061 nan 8.280 nan 0.000 0.529 211 L N -2.523 118.578 121.223 -0.202 0.000 2.749 211 L HA 0.183 4.521 4.340 -0.003 0.000 0.242 211 L C 1.068 177.818 176.870 -0.199 0.000 1.103 211 L CA -0.085 54.636 54.840 -0.199 0.000 0.906 211 L CB 0.021 41.872 42.059 -0.346 0.000 1.228 211 L HN 0.222 nan 8.230 nan 0.000 0.517 212 W N 1.380 122.618 121.300 -0.103 0.000 2.800 212 W HA -0.061 4.597 4.660 -0.003 0.000 0.249 212 W C 2.523 179.023 176.519 -0.032 0.000 1.294 212 W CA 0.429 57.737 57.345 -0.061 0.000 1.402 212 W CB 0.281 29.704 29.460 -0.062 0.000 1.126 212 W HN 0.009 nan 8.180 nan 0.000 0.652 213 K N 1.615 122.113 120.400 0.163 0.000 2.148 213 K HA -0.160 4.158 4.320 -0.003 0.000 0.204 213 K C 1.349 177.991 176.600 0.070 0.000 1.050 213 K CA 1.315 57.667 56.287 0.108 0.000 0.942 213 K CB -0.497 32.056 32.500 0.088 0.000 0.724 213 K HN 0.109 nan 8.250 nan 0.000 0.446 214 K N 1.390 121.810 120.400 0.033 0.000 2.589 214 K HA 0.115 4.434 4.320 -0.003 0.000 0.204 214 K C -0.438 176.166 176.600 0.006 0.000 1.029 214 K CA -0.013 56.273 56.287 -0.000 0.000 1.177 214 K CB -0.164 32.311 32.500 -0.042 0.000 0.902 214 K HN 0.301 nan 8.250 nan 0.000 0.501 215 I N -1.005 119.602 120.570 0.061 0.000 2.576 215 I HA 0.210 4.378 4.170 -0.003 0.000 0.279 215 I C 0.068 176.272 176.117 0.145 0.000 1.114 215 I CA -0.536 60.824 61.300 0.100 0.000 1.076 215 I CB 1.751 39.808 38.000 0.095 0.000 1.212 215 I HN -0.225 nan 8.210 nan 0.000 0.472 216 A N 4.496 127.378 122.820 0.104 0.000 2.370 216 A HA 0.204 4.522 4.320 -0.003 0.000 0.238 216 A C 1.019 178.655 177.584 0.087 0.000 1.289 216 A CA 0.401 52.492 52.037 0.089 0.000 0.885 216 A CB -0.481 18.556 19.000 0.062 0.000 0.961 216 A HN 0.840 nan 8.150 nan 0.000 0.499 217 N N -1.718 117.048 118.700 0.109 0.000 1.938 217 N HA -0.056 4.683 4.740 -0.003 0.000 0.225 217 N C -0.038 175.533 175.510 0.101 0.000 1.400 217 N CA 0.337 53.444 53.050 0.094 0.000 0.772 217 N CB -1.115 37.430 38.487 0.096 0.000 1.124 217 N HN 0.359 nan 8.380 nan 0.000 0.513 218 N N 0.057 118.844 118.700 0.146 0.000 2.735 218 N HA -0.218 4.520 4.740 -0.003 0.000 0.248 218 N C -1.299 174.266 175.510 0.092 0.000 1.083 218 N CA 0.840 53.987 53.050 0.161 0.000 0.703 218 N CB -1.361 37.204 38.487 0.130 0.000 1.005 218 N HN 0.581 nan 8.380 nan 0.000 0.550 219 C N 1.335 120.681 119.300 0.077 0.000 2.522 219 C HA 0.677 5.135 4.460 -0.003 0.000 0.344 219 C C -0.227 174.791 174.990 0.047 0.000 1.104 219 C CA -0.814 58.213 59.018 0.015 0.000 1.317 219 C CB 0.388 28.125 27.740 -0.005 0.000 1.896 219 C HN 0.289 nan 8.230 nan 0.000 0.443 220 I N 4.684 125.242 120.570 -0.020 0.000 2.525 220 I HA 0.542 4.711 4.170 -0.003 0.000 0.301 220 I C -0.702 175.391 176.117 -0.041 0.000 0.992 220 I CA -0.414 60.915 61.300 0.049 0.000 1.162 220 I CB 1.538 39.528 38.000 -0.017 0.000 1.332 220 I HN 0.506 nan 8.210 nan 0.000 0.458 221 F N 6.209 126.113 119.950 -0.076 0.000 2.385 221 F HA 0.453 4.978 4.527 -0.003 0.000 0.360 221 F C -0.011 175.722 175.800 -0.113 0.000 1.122 221 F CA -0.516 57.434 58.000 -0.084 0.000 1.090 221 F CB 0.692 39.644 39.000 -0.080 0.000 1.150 221 F HN 0.000 nan 8.300 nan 0.000 0.472 222 I N 3.803 124.356 120.570 -0.029 0.000 2.648 222 I HA 0.542 4.710 4.170 -0.003 0.000 0.304 222 I C -0.483 175.574 176.117 -0.101 0.000 1.009 222 I CA -1.166 60.087 61.300 -0.079 0.000 1.114 222 I CB 1.793 39.725 38.000 -0.113 0.000 1.293 222 I HN 0.091 nan 8.210 nan 0.000 0.449 223 V N 5.502 125.342 119.914 -0.124 0.000 2.445 223 V HA 0.421 4.539 4.120 -0.003 0.000 0.283 223 V C 0.021 176.133 176.094 0.031 0.000 1.014 223 V CA -0.457 61.800 62.300 -0.073 0.000 0.852 223 V CB 1.546 33.297 31.823 -0.120 0.000 1.021 223 V HN 0.456 nan 8.190 nan 0.000 0.435 224 I N 4.104 124.612 120.570 -0.104 0.000 2.519 224 I HA 0.440 4.609 4.170 -0.003 0.000 0.287 224 I C 0.026 176.147 176.117 0.007 0.000 1.047 224 I CA -0.113 61.085 61.300 -0.170 0.000 1.381 224 I CB 0.826 38.395 38.000 -0.718 0.000 1.417 224 I HN 0.581 nan 8.210 nan 0.000 0.540 225 H N 4.995 124.001 119.070 -0.106 0.000 2.731 225 H HA 0.661 5.215 4.556 -0.003 0.000 0.368 225 H C -0.777 174.551 175.328 -0.000 0.000 1.168 225 H CA -0.758 55.278 56.048 -0.021 0.000 1.181 225 H CB 1.477 31.242 29.762 0.005 0.000 1.743 225 H HN 0.254 nan 8.280 nan 0.000 0.547 226 R N 1.475 122.032 120.500 0.096 0.000 2.745 226 R HA 0.165 4.503 4.340 -0.003 0.000 0.290 226 R C 0.310 176.649 176.300 0.066 0.000 1.260 226 R CA 0.310 56.460 56.100 0.083 0.000 1.045 226 R CB 0.856 31.198 30.300 0.068 0.000 1.257 226 R HN 1.055 nan 8.270 nan 0.000 0.400 227 S N 0.942 116.689 115.700 0.078 0.000 4.157 227 S HA -0.371 4.097 4.470 -0.003 0.000 0.538 227 S C 1.443 176.077 174.600 0.056 0.000 1.384 227 S CA 2.314 60.553 58.200 0.064 0.000 3.765 227 S CB -1.306 61.924 63.200 0.050 0.000 1.819 227 S HN 0.524 nan 8.310 nan 0.000 0.455 228 T N 3.867 118.441 114.554 0.033 0.000 2.634 228 T HA 0.239 4.588 4.350 -0.003 0.000 0.243 228 T C 1.349 176.040 174.700 -0.014 0.000 1.121 228 T CA 1.722 63.832 62.100 0.017 0.000 1.315 228 T CB -1.061 67.814 68.868 0.013 0.000 0.944 228 T HN 1.180 nan 8.240 nan 0.000 0.402 229 T N 1.365 115.904 114.554 -0.025 0.000 2.766 229 T HA 0.452 4.800 4.350 -0.003 0.000 0.295 229 T C -0.353 174.271 174.700 -0.127 0.000 1.024 229 T CA -0.575 61.489 62.100 -0.059 0.000 1.018 229 T CB 0.668 69.518 68.868 -0.030 0.000 1.002 229 T HN 0.546 nan 8.240 nan 0.000 0.532 230 S N -0.075 115.527 115.700 -0.164 0.000 2.428 230 S HA 0.315 4.783 4.470 -0.003 0.000 0.269 230 S C -1.113 173.402 174.600 -0.141 0.000 1.026 230 S CA -1.057 56.982 58.200 -0.269 0.000 1.019 230 S CB 0.760 63.458 63.200 -0.836 0.000 1.191 230 S HN 0.847 nan 8.310 nan 0.000 0.429 231 Q N 1.464 121.245 119.800 -0.033 0.000 2.260 231 Q HA 0.696 5.035 4.340 -0.003 0.000 0.238 231 Q C -0.230 175.771 176.000 0.001 0.000 0.948 231 Q CA 0.068 55.878 55.803 0.013 0.000 0.895 231 Q CB 1.123 29.905 28.738 0.074 0.000 1.218 231 Q HN 0.762 nan 8.270 nan 0.000 0.470 232 T N 1.882 116.443 114.554 0.012 0.000 2.929 232 T HA 0.668 5.016 4.350 -0.003 0.000 0.284 232 T C -0.687 173.998 174.700 -0.026 0.000 1.014 232 T CA -0.405 61.697 62.100 0.004 0.000 1.051 232 T CB 0.563 69.471 68.868 0.068 0.000 1.028 232 T HN 0.378 nan 8.240 nan 0.000 0.485 233 I N 1.804 122.321 120.570 -0.088 0.000 2.533 233 I HA 0.347 4.516 4.170 -0.003 0.000 0.290 233 I C -0.218 175.751 176.117 -0.245 0.000 1.056 233 I CA -0.741 60.487 61.300 -0.120 0.000 1.057 233 I CB 2.073 40.021 38.000 -0.087 0.000 1.240 233 I HN 0.344 nan 8.210 nan 0.000 0.423 234 K N 4.179 124.430 120.400 -0.248 0.000 2.349 234 K HA 0.638 4.956 4.320 -0.003 0.000 0.288 234 K C -1.089 175.387 176.600 -0.206 0.000 1.058 234 K CA -0.092 56.001 56.287 -0.323 0.000 0.953 234 K CB 0.882 33.240 32.500 -0.237 0.000 0.997 234 K HN 0.332 nan 8.250 nan 0.000 0.477 235 V N 1.664 121.450 119.914 -0.213 0.000 2.841 235 V HA 0.301 4.419 4.120 -0.003 0.000 0.310 235 V C -0.621 175.424 176.094 -0.081 0.000 1.090 235 V CA -0.952 61.276 62.300 -0.119 0.000 0.930 235 V CB 2.143 33.901 31.823 -0.108 0.000 1.014 235 V HN 0.733 nan 8.190 nan 0.000 0.425 236 S N 3.590 119.270 115.700 -0.034 0.000 2.541 236 S HA 0.472 4.941 4.470 -0.003 0.000 0.283 236 S C -1.636 172.974 174.600 0.018 0.000 1.196 236 S CA -1.507 56.696 58.200 0.005 0.000 1.062 236 S CB 1.685 64.900 63.200 0.025 0.000 1.009 236 S HN 0.576 nan 8.310 nan 0.000 0.502 237 P HA -0.115 nan 4.420 nan 0.000 0.217 237 P C 0.307 177.637 177.300 0.051 0.000 1.151 237 P CA 1.238 64.346 63.100 0.012 0.000 0.849 237 P CB 0.064 31.767 31.700 0.007 0.000 0.787 238 D N -1.213 119.235 120.400 0.080 0.000 2.349 238 D HA 0.006 4.644 4.640 -0.003 0.000 0.224 238 D C 0.262 176.601 176.300 0.065 0.000 1.029 238 D CA 0.500 54.548 54.000 0.080 0.000 0.879 238 D CB -0.357 40.495 40.800 0.086 0.000 0.906 238 D HN 0.219 nan 8.370 nan 0.000 0.528 239 D N 0.234 120.665 120.400 0.052 0.000 2.369 239 D HA 0.146 4.784 4.640 -0.003 0.000 0.241 239 D C 0.283 176.625 176.300 0.069 0.000 1.271 239 D CA 0.617 54.644 54.000 0.045 0.000 0.942 239 D CB 0.779 41.590 40.800 0.019 0.000 1.129 239 D HN -0.221 nan 8.370 nan 0.000 0.476 240 T N 0.238 114.832 114.554 0.067 0.000 2.893 240 T HA 0.304 4.653 4.350 -0.003 0.000 0.291 240 T C -1.821 172.921 174.700 0.070 0.000 1.028 240 T CA -1.387 60.772 62.100 0.098 0.000 0.995 240 T CB 1.973 70.898 68.868 0.094 0.000 1.051 240 T HN 0.053 nan 8.240 nan 0.000 0.470 241 P HA -0.190 nan 4.420 nan 0.000 0.219 241 P C 1.603 178.937 177.300 0.056 0.000 1.161 241 P CA 1.578 64.696 63.100 0.030 0.000 0.909 241 P CB -0.089 31.648 31.700 0.062 0.000 0.793 242 G N -0.391 108.460 108.800 0.084 0.000 2.446 242 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.217 242 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.217 242 G C 1.685 176.640 174.900 0.091 0.000 1.168 242 G CA 1.141 46.298 45.100 0.095 0.000 0.771 242 G HN 0.390 nan 8.290 nan 0.000 0.551 243 A N 1.094 123.958 122.820 0.072 0.000 1.972 243 A HA 0.031 4.349 4.320 -0.003 0.000 0.219 243 A C 2.386 180.001 177.584 0.051 0.000 1.169 243 A CA 1.474 53.548 52.037 0.062 0.000 0.635 243 A CB -0.404 18.627 19.000 0.052 0.000 0.810 243 A HN 0.703 nan 8.150 nan 0.000 0.446 244 I N -3.401 117.187 120.570 0.031 0.000 2.876 244 I HA 0.005 4.174 4.170 -0.003 0.000 0.264 244 I C 1.799 177.923 176.117 0.011 0.000 1.204 244 I CA 0.776 62.076 61.300 -0.001 0.000 1.485 244 I CB -0.391 37.578 38.000 -0.051 0.000 1.103 244 I HN 0.148 nan 8.210 nan 0.000 0.446 245 L N 0.754 122.009 121.223 0.053 0.000 2.217 245 L HA -0.096 4.242 4.340 -0.003 0.000 0.211 245 L C 2.728 179.733 176.870 0.225 0.000 1.107 245 L CA 1.188 56.105 54.840 0.128 0.000 0.783 245 L CB -0.565 41.647 42.059 0.255 0.000 0.919 245 L HN 0.308 nan 8.230 nan 0.000 0.442 246 Q N -0.492 119.407 119.800 0.166 0.000 2.172 246 Q HA -0.136 4.202 4.340 -0.003 0.000 0.200 246 Q C 1.867 177.930 176.000 0.105 0.000 0.964 246 Q CA 1.462 57.353 55.803 0.147 0.000 0.855 246 Q CB 0.147 28.945 28.738 0.100 0.000 0.918 246 Q HN 0.457 nan 8.270 nan 0.000 0.444 247 S N -1.014 114.733 115.700 0.079 0.000 2.573 247 S HA 0.092 4.560 4.470 -0.003 0.000 0.244 247 S C 0.464 175.113 174.600 0.082 0.000 0.984 247 S CA -0.548 57.683 58.200 0.052 0.000 1.001 247 S CB 0.121 63.335 63.200 0.023 0.000 0.788 247 S HN 0.378 nan 8.310 nan 0.000 0.456 248 F N 0.482 120.346 119.950 -0.144 0.000 2.421 248 F HA 0.453 4.978 4.527 -0.003 0.000 0.270 248 F C 1.003 176.642 175.800 -0.269 0.000 0.894 248 F CA -0.526 57.308 58.000 -0.277 0.000 1.128 248 F CB -0.258 38.455 39.000 -0.477 0.000 1.011 248 F HN 0.232 nan 8.300 nan 0.000 0.788 249 F N 1.166 121.032 119.950 -0.140 0.000 2.113 249 F HA -0.124 4.401 4.527 -0.003 0.000 0.297 249 F C 2.322 178.022 175.800 -0.166 0.000 1.103 249 F CA 1.879 59.737 58.000 -0.236 0.000 1.248 249 F CB -0.960 37.989 39.000 -0.084 0.000 0.999 249 F HN -0.108 nan 8.300 nan 0.000 0.475 250 T N -1.011 113.605 114.554 0.103 0.000 2.962 250 T HA -0.154 4.194 4.350 -0.003 0.000 0.270 250 T C 1.347 176.038 174.700 -0.016 0.000 1.088 250 T CA 0.633 62.757 62.100 0.040 0.000 1.127 250 T CB -0.184 68.716 68.868 0.053 0.000 0.883 250 T HN 0.003 nan 8.240 nan 0.000 0.493 251 K N 0.573 120.942 120.400 -0.052 0.000 2.758 251 K HA 0.377 4.696 4.320 -0.003 0.000 0.250 251 K C 0.011 176.521 176.600 -0.150 0.000 1.268 251 K CA 0.020 56.261 56.287 -0.076 0.000 1.228 251 K CB -0.112 32.362 32.500 -0.044 0.000 1.715 251 K HN 0.217 nan 8.250 nan 0.000 0.334 252 M N -0.361 119.162 119.600 -0.127 0.000 1.522 252 M HA 0.080 4.559 4.480 -0.003 0.000 0.220 252 M C -0.536 175.710 176.300 -0.088 0.000 0.919 252 M CA 0.853 56.063 55.300 -0.150 0.000 0.880 252 M CB 0.318 32.759 32.600 -0.264 0.000 1.807 252 M HN 0.318 nan 8.290 nan 0.000 0.688 268 Q N 1.186 120.973 119.800 -0.022 0.000 2.225 268 Q HA 0.046 4.384 4.340 -0.003 0.000 0.222 268 Q C -0.597 175.475 176.000 0.119 0.000 0.887 268 Q CA 0.702 56.548 55.803 0.073 0.000 0.958 268 Q CB 0.317 29.088 28.738 0.054 0.000 1.058 268 Q HN 0.283 nan 8.270 nan 0.000 0.459 269 D N -1.402 119.063 120.400 0.109 0.000 2.772 269 D HA 0.198 4.836 4.640 -0.003 0.000 0.272 269 D C -0.287 175.944 176.300 -0.116 0.000 1.314 269 D CA -0.297 53.694 54.000 -0.015 0.000 0.835 269 D CB -0.233 40.505 40.800 -0.102 0.000 1.080 269 D HN -0.110 nan 8.370 nan 0.000 0.482 270 F N -0.281 119.722 119.950 0.088 0.000 2.525 270 F HA 0.710 5.235 4.527 -0.002 0.000 0.346 270 F C 0.118 175.983 175.800 0.108 0.000 1.072 270 F CA -1.221 56.853 58.000 0.123 0.000 1.033 270 F CB 1.724 40.861 39.000 0.228 0.000 1.324 270 F HN -0.182 nan 8.300 nan 0.000 0.491 271 V N 1.538 121.645 119.914 0.322 0.000 3.048 271 V HA 0.371 4.489 4.120 -0.003 0.000 0.303 271 V C -1.281 174.909 176.094 0.159 0.000 1.214 271 V CA -0.905 61.511 62.300 0.193 0.000 0.984 271 V CB 2.501 34.406 31.823 0.137 0.000 1.054 271 V HN 0.457 nan 8.190 nan 0.000 0.430 272 L N 5.457 126.732 121.223 0.086 0.000 2.352 272 L HA 0.506 4.844 4.340 -0.003 0.000 0.272 272 L C 0.480 177.333 176.870 -0.029 0.000 1.109 272 L CA -0.072 54.763 54.840 -0.009 0.000 0.952 272 L CB 0.464 42.469 42.059 -0.089 0.000 1.314 272 L HN 0.586 nan 8.230 nan 0.000 0.427 273 R N 1.541 122.007 120.500 -0.057 0.000 2.500 273 R HA 0.480 4.818 4.340 -0.003 0.000 0.275 273 R C -0.638 175.479 176.300 -0.305 0.000 1.051 273 R CA -0.567 55.354 56.100 -0.297 0.000 1.088 273 R CB 1.596 31.678 30.300 -0.364 0.000 1.063 273 R HN 0.226 nan 8.270 nan 0.000 0.511 274 V N 3.219 122.872 119.914 -0.434 0.000 2.732 274 V HA 0.082 4.200 4.120 -0.003 0.000 0.297 274 V C 0.099 175.986 176.094 -0.344 0.000 1.060 274 V CA -0.621 61.437 62.300 -0.404 0.000 1.038 274 V CB 1.345 32.730 31.823 -0.729 0.000 1.003 274 V HN 0.873 nan 8.190 nan 0.000 0.481 275 C N 4.659 123.818 119.300 -0.236 0.000 2.663 275 C HA 0.510 4.968 4.460 -0.003 0.000 0.398 275 C C 1.468 176.337 174.990 -0.200 0.000 1.356 275 C CA 0.781 59.675 59.018 -0.207 0.000 1.629 275 C CB -1.254 26.364 27.740 -0.202 0.000 2.402 275 C HN 1.299 nan 8.230 nan 0.000 0.598 276 G N 3.953 112.632 108.800 -0.202 0.000 2.218 276 G HA2 -0.143 3.816 3.960 -0.003 0.000 0.216 276 G HA3 -0.143 3.816 3.960 -0.003 0.000 0.216 276 G C 0.050 174.819 174.900 -0.218 0.000 0.994 276 G CA -0.159 44.837 45.100 -0.173 0.000 0.637 276 G HN 0.664 nan 8.290 nan 0.000 0.505 277 R N -0.463 119.855 120.500 -0.302 0.000 3.018 277 R HA 0.613 4.952 4.340 -0.003 0.000 0.243 277 R C -1.521 174.572 176.300 -0.345 0.000 1.315 277 R CA -0.894 55.006 56.100 -0.334 0.000 1.039 277 R CB 0.686 30.710 30.300 -0.460 0.000 1.315 277 R HN -0.016 nan 8.270 nan 0.000 0.492 278 D N 1.293 121.514 120.400 -0.299 0.000 2.736 278 D HA 0.210 4.848 4.640 -0.003 0.000 0.293 278 D C -1.169 174.985 176.300 -0.244 0.000 1.241 278 D CA 0.001 53.840 54.000 -0.268 0.000 0.965 278 D CB 0.681 41.429 40.800 -0.087 0.000 0.992 278 D HN 0.231 nan 8.370 nan 0.000 0.510 279 E N 0.720 120.604 120.200 -0.527 0.000 2.283 279 E HA 0.272 4.621 4.350 -0.003 0.000 0.258 279 E C -1.574 174.722 176.600 -0.507 0.000 0.893 279 E CA -0.642 55.536 56.400 -0.370 0.000 0.798 279 E CB 0.630 30.098 29.700 -0.387 0.000 1.242 279 E HN 0.053 nan 8.360 nan 0.000 0.414 280 Y N 3.016 123.206 120.300 -0.183 0.000 2.387 280 Y HA 0.435 4.983 4.550 -0.003 0.000 0.336 280 Y C -0.335 175.504 175.900 -0.102 0.000 1.067 280 Y CA -1.172 56.836 58.100 -0.153 0.000 1.114 280 Y CB 1.065 39.427 38.460 -0.163 0.000 1.208 280 Y HN 0.351 nan 8.280 nan 0.000 0.458 281 L N 5.172 126.344 121.223 -0.085 0.000 2.288 281 L HA 0.511 4.849 4.340 -0.003 0.000 0.283 281 L C -0.358 176.411 176.870 -0.169 0.000 1.072 281 L CA -0.509 54.058 54.840 -0.455 0.000 0.862 281 L CB -0.306 41.410 42.059 -0.571 0.000 1.245 281 L HN 0.502 nan 8.230 nan 0.000 0.432 282 V N -0.211 119.781 119.914 0.130 0.000 3.258 282 V HA 1.037 5.155 4.120 -0.003 0.000 0.299 282 V C 0.072 176.380 176.094 0.356 0.000 1.376 282 V CA -0.661 61.769 62.300 0.217 0.000 1.063 282 V CB 1.133 33.027 31.823 0.117 0.000 1.103 282 V HN 0.908 nan 8.190 nan 0.000 0.451 283 G N 0.830 109.757 108.800 0.211 0.000 2.730 283 G HA2 -0.000 3.958 3.960 -0.003 0.000 0.686 283 G HA3 -0.000 3.958 3.960 -0.003 0.000 0.686 283 G C -0.606 174.396 174.900 0.169 0.000 1.343 283 G CA -0.175 45.022 45.100 0.162 0.000 0.826 283 G HN 1.155 nan 8.290 nan 0.000 0.582 284 E N 1.338 121.601 120.200 0.104 0.000 1.842 284 E HA 0.340 4.688 4.350 -0.003 0.000 0.278 284 E C 0.386 177.027 176.600 0.068 0.000 1.171 284 E CA 0.509 56.963 56.400 0.090 0.000 1.127 284 E CB -0.167 29.571 29.700 0.063 0.000 1.100 284 E HN 0.576 nan 8.360 nan 0.000 0.456 285 T N 1.446 116.062 114.554 0.104 0.000 2.900 285 T HA 0.427 4.775 4.350 -0.003 0.000 0.295 285 T C -2.591 172.207 174.700 0.162 0.000 1.044 285 T CA -1.867 60.253 62.100 0.033 0.000 0.995 285 T CB 2.072 70.783 68.868 -0.263 0.000 1.072 285 T HN 0.005 nan 8.240 nan 0.000 0.473 286 P HA 0.197 nan 4.420 nan 0.000 0.269 286 P C 1.077 178.540 177.300 0.273 0.000 1.215 286 P CA -0.457 62.731 63.100 0.147 0.000 0.780 286 P CB 0.319 32.070 31.700 0.085 0.000 0.898 287 I N 0.946 121.659 120.570 0.238 0.000 2.546 287 I HA -0.181 3.987 4.170 -0.003 0.000 0.255 287 I C 2.023 178.241 176.117 0.167 0.000 1.163 287 I CA 1.187 62.648 61.300 0.269 0.000 1.457 287 I CB -0.926 37.110 38.000 0.059 0.000 1.092 287 I HN 0.261 nan 8.210 nan 0.000 0.434 288 K N 1.600 122.030 120.400 0.050 0.000 2.113 288 K HA -0.227 4.091 4.320 -0.003 0.000 0.208 288 K C 1.068 177.649 176.600 -0.032 0.000 1.047 288 K CA 2.282 58.535 56.287 -0.057 0.000 0.928 288 K CB -0.459 31.981 32.500 -0.099 0.000 0.716 288 K HN 0.330 nan 8.250 nan 0.000 0.446 289 N N -0.316 118.394 118.700 0.017 0.000 2.314 289 N HA 0.134 4.873 4.740 -0.003 0.000 0.200 289 N C -1.043 174.383 175.510 -0.141 0.000 1.135 289 N CA 0.102 53.115 53.050 -0.062 0.000 0.835 289 N CB 0.107 38.544 38.487 -0.083 0.000 0.989 289 N HN 0.080 nan 8.380 nan 0.000 0.478 290 F N 0.821 120.747 119.950 -0.040 0.000 2.404 290 F HA 0.220 4.745 4.527 -0.003 0.000 0.345 290 F C 1.734 177.469 175.800 -0.109 0.000 1.110 290 F CA -0.547 57.437 58.000 -0.027 0.000 1.130 290 F CB 1.411 40.432 39.000 0.035 0.000 1.129 290 F HN -0.121 nan 8.300 nan 0.000 0.500 291 Q N 3.405 123.151 119.800 -0.090 0.000 2.124 291 Q HA -0.239 4.099 4.340 -0.003 0.000 0.202 291 Q C 2.170 178.079 176.000 -0.151 0.000 0.977 291 Q CA 1.334 56.911 55.803 -0.376 0.000 0.850 291 Q CB -0.380 27.609 28.738 -1.247 0.000 0.901 291 Q HN 0.880 nan 8.270 nan 0.000 0.429 292 W N 0.633 121.866 121.300 -0.112 0.000 2.374 292 W HA -0.149 4.509 4.660 -0.002 0.000 0.288 292 W C 1.422 177.958 176.519 0.028 0.000 1.218 292 W CA 1.105 58.437 57.345 -0.022 0.000 1.245 292 W CB 0.343 29.816 29.460 0.022 0.000 1.126 292 W HN -0.062 nan 8.180 nan 0.000 0.545 293 V N 1.291 121.194 119.914 -0.018 0.000 2.488 293 V HA -0.202 3.917 4.120 -0.003 0.000 0.246 293 V C 2.464 178.447 176.094 -0.186 0.000 1.046 293 V CA 1.570 63.798 62.300 -0.120 0.000 1.053 293 V CB -0.744 31.078 31.823 -0.000 0.000 0.679 293 V HN 0.074 nan 8.190 nan 0.000 0.458 294 R N -0.244 120.166 120.500 -0.150 0.000 2.115 294 R HA -0.182 4.156 4.340 -0.003 0.000 0.230 294 R C 2.274 178.463 176.300 -0.184 0.000 1.111 294 R CA 1.762 57.760 56.100 -0.170 0.000 0.976 294 R CB -0.530 29.681 30.300 -0.149 0.000 0.870 294 R HN 0.689 nan 8.270 nan 0.000 0.445 295 H N 0.080 118.960 119.070 -0.317 0.000 2.363 295 H HA -0.055 4.499 4.556 -0.003 0.000 0.301 295 H C 1.942 177.029 175.328 -0.403 0.000 1.074 295 H CA 1.743 57.580 56.048 -0.351 0.000 1.354 295 H CB -0.114 29.387 29.762 -0.436 0.000 1.397 295 H HN 0.103 nan 8.280 nan 0.000 0.516 296 C N 0.190 119.138 119.300 -0.588 0.000 2.453 296 C HA -0.028 4.430 4.460 -0.003 0.000 0.277 296 C C 2.863 177.640 174.990 -0.355 0.000 1.262 296 C CA 0.766 59.466 59.018 -0.530 0.000 1.718 296 C CB -1.072 26.402 27.740 -0.442 0.000 2.031 296 C HN 0.561 nan 8.230 nan 0.000 0.480 297 L N 0.919 121.974 121.223 -0.280 0.000 2.079 297 L HA -0.187 4.152 4.340 -0.003 0.000 0.210 297 L C 2.711 179.467 176.870 -0.190 0.000 1.081 297 L CA 1.509 56.225 54.840 -0.206 0.000 0.752 297 L CB -0.699 41.242 42.059 -0.197 0.000 0.896 297 L HN 0.369 nan 8.230 nan 0.000 0.433 298 K N 0.040 120.305 120.400 -0.224 0.000 2.148 298 K HA -0.125 4.193 4.320 -0.003 0.000 0.204 298 K C 1.628 178.110 176.600 -0.197 0.000 1.050 298 K CA 1.133 57.319 56.287 -0.167 0.000 0.942 298 K CB 0.037 32.447 32.500 -0.151 0.000 0.724 298 K HN 0.446 nan 8.250 nan 0.000 0.446 299 N N -0.915 117.611 118.700 -0.290 0.000 2.356 299 N HA -0.021 4.717 4.740 -0.003 0.000 0.178 299 N C 0.607 176.023 175.510 -0.156 0.000 1.075 299 N CA 0.798 53.704 53.050 -0.240 0.000 0.889 299 N CB 0.873 39.151 38.487 -0.349 0.000 0.999 299 N HN 0.354 nan 8.380 nan 0.000 0.464 300 G N 1.699 110.407 108.800 -0.154 0.000 2.132 300 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.234 300 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.234 300 G C -0.211 174.628 174.900 -0.101 0.000 0.989 300 G CA -0.099 44.935 45.100 -0.109 0.000 0.676 300 G HN 0.335 nan 8.290 nan 0.000 0.522 301 E N 0.256 120.375 120.200 -0.136 0.000 2.283 301 E HA 0.509 4.857 4.350 -0.003 0.000 0.267 301 E C 0.065 176.624 176.600 -0.068 0.000 1.045 301 E CA -0.470 55.877 56.400 -0.089 0.000 0.884 301 E CB 0.806 30.436 29.700 -0.116 0.000 1.106 301 E HN 0.541 nan 8.360 nan 0.000 0.408 302 E N 1.418 121.638 120.200 0.034 0.000 2.166 302 E HA 0.273 4.621 4.350 -0.003 0.000 0.275 302 E C -0.753 175.895 176.600 0.080 0.000 0.941 302 E CA -0.653 55.764 56.400 0.028 0.000 0.784 302 E CB 1.358 31.076 29.700 0.030 0.000 1.115 302 E HN 0.286 nan 8.360 nan 0.000 0.399 303 I N 3.490 124.050 120.570 -0.017 0.000 2.578 303 I HA -0.021 4.147 4.170 -0.003 0.000 0.286 303 I C -0.123 175.968 176.117 -0.042 0.000 1.126 303 I CA 0.640 61.962 61.300 0.037 0.000 1.380 303 I CB -0.378 37.624 38.000 0.003 0.000 1.408 303 I HN 0.393 nan 8.210 nan 0.000 0.532 304 H N 4.369 123.505 119.070 0.112 0.000 2.492 304 H HA 0.797 5.351 4.556 -0.003 0.000 0.345 304 H C -0.798 174.494 175.328 -0.060 0.000 1.136 304 H CA -0.669 55.385 56.048 0.010 0.000 1.202 304 H CB 1.735 31.465 29.762 -0.052 0.000 1.524 304 H HN 0.252 nan 8.280 nan 0.000 0.506 305 V N 3.119 123.005 119.914 -0.046 0.000 2.891 305 V HA 0.224 4.342 4.120 -0.003 0.000 0.304 305 V C -0.922 175.114 176.094 -0.097 0.000 1.171 305 V CA -0.741 61.502 62.300 -0.095 0.000 0.943 305 V CB 2.545 34.313 31.823 -0.092 0.000 1.037 305 V HN 0.511 nan 8.190 nan 0.000 0.427 306 V N 5.005 124.858 119.914 -0.101 0.000 2.732 306 V HA 0.644 4.763 4.120 -0.003 0.000 0.310 306 V C -0.677 175.417 176.094 0.001 0.000 1.053 306 V CA -0.711 61.578 62.300 -0.018 0.000 0.957 306 V CB 1.992 33.801 31.823 -0.023 0.000 1.018 306 V HN 0.743 nan 8.190 nan 0.000 0.452 307 L N 5.786 127.040 121.223 0.051 0.000 2.262 307 L HA 0.628 4.966 4.340 -0.003 0.000 0.288 307 L C -0.849 176.162 176.870 0.234 0.000 1.035 307 L CA 0.239 55.150 54.840 0.119 0.000 0.820 307 L CB 0.781 42.873 42.059 0.055 0.000 1.204 307 L HN 0.898 nan 8.230 nan 0.000 0.424 308 D N 1.095 121.655 120.400 0.267 0.000 2.652 308 D HA 0.367 5.006 4.640 -0.003 0.000 0.285 308 D C -0.783 175.621 176.300 0.173 0.000 1.173 308 D CA -0.659 53.490 54.000 0.249 0.000 0.981 308 D CB 0.874 41.757 40.800 0.139 0.000 1.440 308 D HN 0.211 nan 8.370 nan 0.000 0.485 309 T N 1.356 115.928 114.554 0.031 0.000 2.851 309 T HA 0.415 4.763 4.350 -0.003 0.000 0.298 309 T C -2.250 172.427 174.700 -0.039 0.000 0.977 309 T CA -0.620 61.418 62.100 -0.104 0.000 1.126 309 T CB 0.497 69.278 68.868 -0.145 0.000 0.916 309 T HN 0.229 nan 8.240 nan 0.000 0.529 310 P HA 0.066 nan 4.420 nan 0.000 0.264 310 P C -2.269 174.960 177.300 -0.118 0.000 1.173 310 P CA -0.883 62.145 63.100 -0.121 0.000 0.761 310 P CB -0.329 31.289 31.700 -0.136 0.000 0.794 311 P HA 0.068 nan 4.420 nan 0.000 0.271 311 P C -0.435 176.803 177.300 -0.104 0.000 1.216 311 P CA 0.076 63.114 63.100 -0.103 0.000 0.776 311 P CB 0.535 32.168 31.700 -0.111 0.000 0.881 312 D N 3.381 123.738 120.400 -0.071 0.000 2.383 312 D HA 0.085 4.723 4.640 -0.003 0.000 0.252 312 D C -1.364 174.907 176.300 -0.049 0.000 1.166 312 D CA -1.971 51.994 54.000 -0.060 0.000 0.879 312 D CB 0.564 41.334 40.800 -0.050 0.000 1.164 312 D HN 0.127 nan 8.370 nan 0.000 0.462 313 P HA -0.138 nan 4.420 nan 0.000 0.218 313 P C 0.941 178.241 177.300 -0.000 0.000 1.146 313 P CA 1.287 64.385 63.100 -0.005 0.000 0.813 313 P CB 0.134 31.835 31.700 0.001 0.000 0.778 314 A N -0.584 122.226 122.820 -0.017 0.000 2.042 314 A HA -0.200 4.119 4.320 -0.003 0.000 0.222 314 A C 2.043 179.615 177.584 -0.020 0.000 1.167 314 A CA 1.516 53.541 52.037 -0.020 0.000 0.649 314 A CB -1.620 17.363 19.000 -0.029 0.000 0.809 314 A HN 0.204 nan 8.150 nan 0.000 0.457 315 L N -0.774 120.435 121.223 -0.023 0.000 2.395 315 L HA -0.046 4.292 4.340 -0.003 0.000 0.218 315 L C 0.987 177.850 176.870 -0.010 0.000 1.130 315 L CA 0.666 55.489 54.840 -0.029 0.000 0.826 315 L CB -0.208 41.825 42.059 -0.043 0.000 0.941 315 L HN 0.267 nan 8.230 nan 0.000 0.451 316 D N -0.383 120.031 120.400 0.022 0.000 2.339 316 D HA -0.021 4.617 4.640 -0.003 0.000 0.217 316 D C 0.706 177.046 176.300 0.065 0.000 1.050 316 D CA 0.169 54.218 54.000 0.081 0.000 0.856 316 D CB 0.249 41.176 40.800 0.211 0.000 0.922 316 D HN 0.341 nan 8.370 nan 0.000 0.518 317 E N 1.136 121.348 120.200 0.019 0.000 2.413 317 E HA 0.078 4.426 4.350 -0.003 0.000 0.263 317 E C -0.504 176.085 176.600 -0.019 0.000 1.015 317 E CA 0.078 56.475 56.400 -0.005 0.000 0.916 317 E CB 1.138 30.825 29.700 -0.023 0.000 0.947 317 E HN -0.190 nan 8.360 nan 0.000 0.440 318 V N 4.616 124.510 119.914 -0.034 0.000 2.532 318 V HA 0.262 4.380 4.120 -0.003 0.000 0.295 318 V C 0.528 176.571 176.094 -0.085 0.000 1.041 318 V CA -0.616 61.656 62.300 -0.046 0.000 0.926 318 V CB 1.446 33.244 31.823 -0.042 0.000 0.992 318 V HN 0.705 nan 8.190 nan 0.000 0.457 319 R N 3.673 124.087 120.500 -0.143 0.000 2.738 319 R HA 0.205 4.543 4.340 -0.003 0.000 0.268 319 R C -0.034 176.167 176.300 -0.164 0.000 1.062 319 R CA -0.422 55.543 56.100 -0.225 0.000 1.158 319 R CB 0.453 30.457 30.300 -0.493 0.000 1.046 319 R HN 0.602 nan 8.270 nan 0.000 0.493 320 K N 2.794 123.106 120.400 -0.146 0.000 2.472 320 K HA -0.042 4.276 4.320 -0.003 0.000 0.280 320 K C -0.194 176.355 176.600 -0.085 0.000 1.028 320 K CA 0.649 56.879 56.287 -0.095 0.000 1.045 320 K CB 0.535 32.988 32.500 -0.079 0.000 0.902 320 K HN 0.596 nan 8.250 nan 0.000 0.478 321 E N 1.488 121.661 120.200 -0.045 0.000 2.292 321 E HA 0.296 4.644 4.350 -0.003 0.000 0.258 321 E C 0.218 176.821 176.600 0.006 0.000 1.115 321 E CA -0.325 56.068 56.400 -0.011 0.000 0.929 321 E CB 1.067 30.767 29.700 0.000 0.000 1.161 321 E HN 0.703 nan 8.360 nan 0.000 0.453 358 D N 1.239 121.661 120.400 0.036 0.000 2.339 358 D HA 0.095 4.733 4.640 -0.003 0.000 0.217 358 D C 0.832 177.149 176.300 0.028 0.000 1.050 358 D CA 0.291 54.308 54.000 0.028 0.000 0.856 358 D CB 0.113 40.922 40.800 0.016 0.000 0.922 358 D HN 0.545 nan 8.370 nan 0.000 0.518 359 R N 1.739 122.257 120.500 0.030 0.000 2.538 359 R HA 0.005 4.344 4.340 -0.003 0.000 0.282 359 R C -0.154 176.173 176.300 0.045 0.000 1.009 359 R CA 0.074 56.185 56.100 0.019 0.000 1.063 359 R CB 0.165 30.467 30.300 0.005 0.000 0.945 359 R HN -0.212 nan 8.270 nan 0.000 0.414 360 K N 4.068 124.494 120.400 0.043 0.000 2.436 360 K HA -0.027 4.292 4.320 -0.003 0.000 0.275 360 K C -0.046 176.631 176.600 0.128 0.000 0.999 360 K CA 0.027 56.371 56.287 0.096 0.000 0.980 360 K CB 0.223 32.775 32.500 0.087 0.000 0.919 360 K HN 0.510 nan 8.250 nan 0.000 0.484 361 F N 3.641 123.624 119.950 0.054 0.000 2.506 361 F HA 0.065 4.591 4.527 -0.003 0.000 0.351 361 F C 0.332 176.230 175.800 0.163 0.000 1.136 361 F CA 0.207 58.234 58.000 0.044 0.000 1.298 361 F CB 0.537 39.498 39.000 -0.065 0.000 1.145 361 F HN 0.517 nan 8.300 nan 0.000 0.593 362 R N 4.495 124.473 120.500 -0.870 0.000 2.643 362 R HA 0.737 5.075 4.340 -0.003 0.000 0.269 362 R C -2.443 173.540 176.300 -0.528 0.000 1.037 362 R CA -1.164 54.674 56.100 -0.437 0.000 0.894 362 R CB 1.489 31.687 30.300 -0.170 0.000 1.238 362 R HN 0.627 nan 8.270 nan 0.000 0.459 363 V N 1.722 121.628 119.914 -0.013 0.000 2.686 363 V HA 0.431 4.550 4.120 -0.003 0.000 0.306 363 V C -0.922 175.228 176.094 0.092 0.000 1.065 363 V CA -0.875 61.473 62.300 0.081 0.000 0.894 363 V CB 2.107 34.001 31.823 0.118 0.000 1.004 363 V HN 0.828 nan 8.190 nan 0.000 0.424 364 K N 6.173 126.425 120.400 -0.248 0.000 2.276 364 K HA 0.466 4.784 4.320 -0.003 0.000 0.283 364 K C -0.700 175.731 176.600 -0.280 0.000 1.044 364 K CA -0.631 55.280 56.287 -0.627 0.000 0.944 364 K CB 0.757 32.560 32.500 -1.161 0.000 1.012 364 K HN 0.596 nan 8.250 nan 0.000 0.472 365 I N 6.631 127.073 120.570 -0.213 0.000 2.310 365 I HA 0.138 4.306 4.170 -0.003 0.000 0.287 365 I C 1.351 177.434 176.117 -0.056 0.000 1.073 365 I CA -0.117 61.108 61.300 -0.124 0.000 1.216 365 I CB 0.562 38.457 38.000 -0.175 0.000 1.415 365 I HN 0.699 nan 8.210 nan 0.000 0.480 366 R N 3.635 124.097 120.500 -0.063 0.000 2.091 366 R HA 0.064 4.402 4.340 -0.003 0.000 0.238 366 R C 0.994 177.351 176.300 0.095 0.000 1.136 366 R CA 0.887 56.973 56.100 -0.023 0.000 0.959 366 R CB 0.051 30.322 30.300 -0.048 0.000 0.856 366 R HN 0.777 nan 8.270 nan 0.000 0.437 367 G N 0.350 109.242 108.800 0.154 0.000 2.369 367 G HA2 0.244 4.202 3.960 -0.003 0.000 0.293 367 G HA3 0.244 4.202 3.960 -0.003 0.000 0.293 367 G C -1.350 173.656 174.900 0.177 0.000 1.301 367 G CA -0.550 44.721 45.100 0.286 0.000 0.913 367 G HN 0.196 nan 8.290 nan 0.000 0.540 368 I N -2.827 117.862 120.570 0.197 0.000 3.002 368 I HA 0.939 5.107 4.170 -0.003 0.000 0.310 368 I C -1.493 174.645 176.117 0.034 0.000 1.087 368 I CA -0.999 60.349 61.300 0.081 0.000 1.017 368 I CB 2.778 40.841 38.000 0.104 0.000 1.226 368 I HN 0.555 nan 8.210 nan 0.000 0.443 369 D N 2.525 122.909 120.400 -0.026 0.000 2.736 369 D HA 0.593 5.232 4.640 -0.003 0.000 0.223 369 D C -1.841 174.427 176.300 -0.053 0.000 1.231 369 D CA -0.279 53.705 54.000 -0.027 0.000 0.818 369 D CB 3.452 44.229 40.800 -0.038 0.000 1.587 369 D HN 0.787 nan 8.370 nan 0.000 0.463 370 I N 3.116 123.667 120.570 -0.031 0.000 2.667 370 I HA 0.275 4.443 4.170 -0.003 0.000 0.288 370 I C -2.194 173.904 176.117 -0.031 0.000 1.267 370 I CA -1.847 59.431 61.300 -0.038 0.000 1.055 370 I CB 2.511 40.488 38.000 -0.039 0.000 1.294 370 I HN 0.075 nan 8.210 nan 0.000 0.429 371 P HA -0.123 nan 4.420 nan 0.000 0.216 371 P C -0.479 176.802 177.300 -0.032 0.000 1.157 371 P CA 1.360 64.447 63.100 -0.021 0.000 0.880 371 P CB -0.108 31.586 31.700 -0.010 0.000 0.791 372 V N -4.192 115.705 119.914 -0.028 0.000 2.851 372 V HA 0.333 4.451 4.120 -0.003 0.000 0.307 372 V C 0.423 176.496 176.094 -0.036 0.000 1.129 372 V CA -0.868 61.407 62.300 -0.041 0.000 0.932 372 V CB 1.637 33.445 31.823 -0.024 0.000 1.024 372 V HN -0.100 nan 8.190 nan 0.000 0.426 373 L N 0.405 121.575 121.223 -0.089 0.000 2.609 373 L HA 0.646 4.984 4.340 -0.003 0.000 0.230 373 L C -1.463 175.375 176.870 -0.054 0.000 1.064 373 L CA -0.268 54.520 54.840 -0.087 0.000 0.873 373 L CB -2.013 39.860 42.059 -0.311 0.000 1.139 373 L HN 0.507 nan 8.230 nan 0.000 0.490 374 P HA -0.032 nan 4.420 nan 0.000 0.262 374 P C -0.184 177.111 177.300 -0.008 0.000 1.151 374 P CA 0.762 63.835 63.100 -0.044 0.000 0.757 374 P CB 0.584 32.264 31.700 -0.034 0.000 0.754 375 R N 2.126 122.625 120.500 -0.001 0.000 2.580 375 R HA 0.337 4.676 4.340 -0.003 0.000 0.169 375 R C 1.191 177.499 176.300 0.015 0.000 1.399 375 R CA -0.133 55.979 56.100 0.019 0.000 1.206 375 R CB -0.079 30.244 30.300 0.039 0.000 1.215 375 R HN 0.302 nan 8.270 nan 0.000 0.486 376 N N -1.484 117.225 118.700 0.015 0.000 2.378 376 N HA 0.034 4.772 4.740 -0.003 0.000 0.317 376 N C -0.964 174.554 175.510 0.013 0.000 0.705 376 N CA 0.914 53.971 53.050 0.013 0.000 0.671 376 N CB 1.136 39.633 38.487 0.017 0.000 2.307 376 N HN 0.236 nan 8.380 nan 0.000 1.211 377 T N 1.227 115.795 114.554 0.024 0.000 2.887 377 T HA 0.456 4.805 4.350 -0.003 0.000 0.288 377 T C -1.002 173.723 174.700 0.041 0.000 1.021 377 T CA -0.748 61.369 62.100 0.028 0.000 1.000 377 T CB 2.294 71.182 68.868 0.033 0.000 1.034 377 T HN 0.141 nan 8.240 nan 0.000 0.467 378 D N 1.295 121.718 120.400 0.038 0.000 2.255 378 D HA 0.556 5.195 4.640 -0.003 0.000 0.249 378 D C -0.175 176.181 176.300 0.094 0.000 1.078 378 D CA -0.808 53.225 54.000 0.056 0.000 0.896 378 D CB 0.888 41.707 40.800 0.031 0.000 1.194 378 D HN 0.265 nan 8.370 nan 0.000 0.429 379 L N 0.497 121.812 121.223 0.153 0.000 2.225 379 L HA 0.570 4.908 4.340 -0.003 0.000 0.257 379 L C 0.003 176.987 176.870 0.189 0.000 1.101 379 L CA -0.907 54.029 54.840 0.160 0.000 1.073 379 L CB 2.133 44.291 42.059 0.164 0.000 1.627 379 L HN 0.566 nan 8.230 nan 0.000 0.518 380 T N -0.495 114.161 114.554 0.170 0.000 2.949 380 T HA 0.661 5.009 4.350 -0.003 0.000 0.287 380 T C -1.259 173.532 174.700 0.152 0.000 1.034 380 T CA -0.339 61.865 62.100 0.173 0.000 1.018 380 T CB 1.679 70.641 68.868 0.158 0.000 1.135 380 T HN 0.251 nan 8.240 nan 0.000 0.532 381 V N 3.153 123.170 119.914 0.172 0.000 2.891 381 V HA 0.705 4.823 4.120 -0.003 0.000 0.304 381 V C -1.492 174.807 176.094 0.343 0.000 1.171 381 V CA -0.792 61.548 62.300 0.067 0.000 0.943 381 V CB 1.709 33.387 31.823 -0.242 0.000 1.037 381 V HN 0.845 nan 8.190 nan 0.000 0.427 382 F N 3.799 123.840 119.950 0.152 0.000 2.613 382 F HA 0.921 5.446 4.527 -0.003 0.000 0.314 382 F C -1.199 174.544 175.800 -0.094 0.000 1.075 382 F CA -1.208 56.835 58.000 0.072 0.000 0.945 382 F CB 1.796 40.818 39.000 0.038 0.000 1.310 382 F HN 0.184 nan 8.300 nan 0.000 0.467 383 V N 1.714 121.528 119.914 -0.167 0.000 2.394 383 V HA 0.327 4.445 4.120 -0.003 0.000 0.282 383 V C -0.562 175.568 176.094 0.059 0.000 1.031 383 V CA -0.523 61.658 62.300 -0.197 0.000 0.881 383 V CB 1.336 32.863 31.823 -0.493 0.000 0.982 383 V HN 0.870 nan 8.190 nan 0.000 0.451 384 E N 3.693 123.996 120.200 0.172 0.000 2.145 384 E HA 0.669 5.018 4.350 -0.003 0.000 0.270 384 E C -0.647 176.051 176.600 0.165 0.000 0.906 384 E CA -0.652 55.883 56.400 0.226 0.000 0.761 384 E CB 1.572 31.506 29.700 0.390 0.000 1.116 384 E HN 0.794 nan 8.360 nan 0.000 0.408 385 A N 5.194 128.112 122.820 0.163 0.000 2.260 385 A HA 0.434 4.752 4.320 -0.003 0.000 0.314 385 A C -0.687 177.106 177.584 0.348 0.000 1.257 385 A CA -0.794 51.398 52.037 0.258 0.000 0.871 385 A CB 0.592 19.815 19.000 0.371 0.000 1.166 385 A HN 0.677 nan 8.150 nan 0.000 0.522 386 N N 2.731 121.571 118.700 0.233 0.000 2.372 386 N HA 0.325 5.064 4.740 -0.003 0.000 0.285 386 N C -0.810 174.726 175.510 0.042 0.000 1.008 386 N CA -0.445 52.713 53.050 0.180 0.000 0.880 386 N CB 1.749 40.303 38.487 0.112 0.000 1.239 386 N HN 0.491 nan 8.380 nan 0.000 0.484 387 I N 1.841 122.386 120.570 -0.041 0.000 2.396 387 I HA 0.155 4.323 4.170 -0.003 0.000 0.289 387 I C 0.557 176.627 176.117 -0.078 0.000 1.056 387 I CA 0.213 61.389 61.300 -0.207 0.000 1.365 387 I CB 0.244 38.026 38.000 -0.364 0.000 1.407 387 I HN 0.335 nan 8.210 nan 0.000 0.509 388 Q N 5.087 124.844 119.800 -0.072 0.000 2.377 388 Q HA 0.429 4.767 4.340 -0.003 0.000 0.271 388 Q C -1.061 174.944 176.000 0.008 0.000 1.077 388 Q CA -0.670 55.118 55.803 -0.025 0.000 0.820 388 Q CB 2.757 31.474 28.738 -0.034 0.000 1.347 388 Q HN 0.565 nan 8.270 nan 0.000 0.444 389 H N 0.752 119.756 119.070 -0.110 0.000 3.277 389 H HA 0.225 4.779 4.556 -0.003 0.000 0.329 389 H C -0.363 174.848 175.328 -0.195 0.000 1.034 389 H CA 0.686 56.640 56.048 -0.158 0.000 1.530 389 H CB 1.109 30.786 29.762 -0.141 0.000 1.837 389 H HN 0.958 nan 8.280 nan 0.000 0.493 390 G N 5.278 113.831 108.800 -0.412 0.000 2.350 390 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.298 390 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.298 390 G C 0.478 175.243 174.900 -0.224 0.000 1.037 390 G CA 0.867 45.749 45.100 -0.363 0.000 1.074 390 G HN 0.835 nan 8.290 nan 0.000 0.511 391 Q N -2.607 117.106 119.800 -0.144 0.000 2.406 391 Q HA -0.243 4.095 4.340 -0.003 0.000 0.236 391 Q C 0.563 176.533 176.000 -0.051 0.000 0.799 391 Q CA 2.029 57.782 55.803 -0.084 0.000 1.286 391 Q CB -1.100 27.580 28.738 -0.097 0.000 1.615 391 Q HN 0.919 nan 8.270 nan 0.000 0.621 392 Q N 1.070 120.846 119.800 -0.041 0.000 2.347 392 Q HA 0.424 4.762 4.340 -0.003 0.000 0.262 392 Q C -0.127 175.885 176.000 0.020 0.000 0.980 392 Q CA -0.376 55.429 55.803 0.003 0.000 0.867 392 Q CB 1.527 30.287 28.738 0.037 0.000 1.242 392 Q HN 0.206 nan 8.270 nan 0.000 0.453 393 V N 3.546 123.475 119.914 0.025 0.000 2.415 393 V HA 0.133 4.251 4.120 -0.003 0.000 0.267 393 V C 0.692 176.809 176.094 0.039 0.000 1.042 393 V CA 0.135 62.456 62.300 0.036 0.000 1.000 393 V CB 0.237 32.089 31.823 0.048 0.000 1.015 393 V HN 0.910 nan 8.190 nan 0.000 0.478 394 L N 3.281 124.524 121.223 0.034 0.000 2.209 394 L HA 0.253 4.592 4.340 -0.003 0.000 0.207 394 L C 1.016 177.920 176.870 0.057 0.000 1.094 394 L CA 0.846 55.702 54.840 0.027 0.000 0.790 394 L CB 0.078 42.134 42.059 -0.005 0.000 0.932 394 L HN 0.776 nan 8.230 nan 0.000 0.447 395 C N -0.991 118.370 119.300 0.103 0.000 3.284 395 C HA 0.410 4.868 4.460 -0.003 0.000 0.338 395 C C -1.384 173.792 174.990 0.311 0.000 1.237 395 C CA -0.733 58.412 59.018 0.212 0.000 1.276 395 C CB 1.980 29.921 27.740 0.336 0.000 1.601 395 C HN 0.405 nan 8.230 nan 0.000 0.494 396 Q N 3.958 123.907 119.800 0.249 0.000 2.296 396 Q HA 0.507 4.845 4.340 -0.003 0.000 0.254 396 Q C -1.246 174.726 176.000 -0.046 0.000 0.936 396 Q CA -0.517 55.395 55.803 0.181 0.000 0.834 396 Q CB 1.123 29.922 28.738 0.101 0.000 1.340 396 Q HN 0.740 nan 8.270 nan 0.000 0.428 397 R N 2.276 122.636 120.500 -0.234 0.000 2.856 397 R HA 0.662 5.001 4.340 -0.003 0.000 0.258 397 R C -0.575 175.622 176.300 -0.172 0.000 1.066 397 R CA -0.699 55.189 56.100 -0.353 0.000 1.045 397 R CB 1.792 31.653 30.300 -0.733 0.000 1.178 397 R HN 0.655 nan 8.270 nan 0.000 0.499 398 R N -0.574 119.820 120.500 -0.177 0.000 2.771 398 R HA 0.317 4.655 4.340 -0.003 0.000 0.274 398 R C -0.550 175.647 176.300 -0.171 0.000 0.987 398 R CA -0.498 55.517 56.100 -0.142 0.000 0.908 398 R CB 2.236 32.404 30.300 -0.220 0.000 1.213 398 R HN 0.810 nan 8.270 nan 0.000 0.468 399 T N -0.781 113.657 114.554 -0.194 0.000 2.874 399 T HA 0.240 4.588 4.350 -0.003 0.000 0.281 399 T C 0.493 175.138 174.700 -0.090 0.000 0.994 399 T CA -0.757 61.191 62.100 -0.252 0.000 1.015 399 T CB 1.205 69.605 68.868 -0.781 0.000 1.028 399 T HN 0.604 nan 8.240 nan 0.000 0.523 400 S N 2.045 117.782 115.700 0.063 0.000 2.559 400 S HA 0.248 4.716 4.470 -0.003 0.000 0.282 400 S C -2.255 172.576 174.600 0.385 0.000 1.336 400 S CA -0.968 57.334 58.200 0.171 0.000 1.037 400 S CB -0.548 62.784 63.200 0.221 0.000 0.853 400 S HN 0.790 nan 8.310 nan 0.000 0.523 401 P HA 0.472 nan 4.420 nan 0.000 0.278 401 P C -0.819 176.684 177.300 0.338 0.000 1.258 401 P CA -0.624 62.717 63.100 0.402 0.000 0.811 401 P CB 0.646 32.495 31.700 0.249 0.000 1.063 402 K N 0.400 120.965 120.400 0.276 0.000 2.555 402 K HA 0.467 4.785 4.320 -0.003 0.000 0.279 402 K C -2.845 173.781 176.600 0.044 0.000 0.986 402 K CA -2.093 54.201 56.287 0.012 0.000 0.880 402 K CB 1.683 33.950 32.500 -0.389 0.000 1.474 402 K HN 0.200 nan 8.250 nan 0.000 0.433 403 P HA 0.030 nan 4.420 nan 0.000 0.271 403 P C -0.629 176.754 177.300 0.138 0.000 1.216 403 P CA -0.198 62.943 63.100 0.068 0.000 0.776 403 P CB 0.201 31.914 31.700 0.021 0.000 0.881 404 F N 4.030 123.984 119.950 0.007 0.000 2.640 404 F HA 0.127 4.652 4.527 -0.003 0.000 0.354 404 F C 0.463 176.260 175.800 -0.005 0.000 1.213 404 F CA -0.797 57.213 58.000 0.016 0.000 1.314 404 F CB -1.351 37.682 39.000 0.056 0.000 1.679 404 F HN 0.145 nan 8.300 nan 0.000 0.622 405 T N -0.927 113.671 114.554 0.074 0.000 2.726 405 T HA 0.112 4.460 4.350 -0.003 0.000 0.294 405 T C 1.233 175.877 174.700 -0.094 0.000 1.013 405 T CA -0.468 61.592 62.100 -0.066 0.000 0.996 405 T CB 0.823 69.663 68.868 -0.046 0.000 1.016 405 T HN 0.429 nan 8.240 nan 0.000 0.529 406 E N 0.086 120.211 120.200 -0.124 0.000 2.268 406 E HA -0.016 4.332 4.350 -0.003 0.000 0.195 406 E C 0.685 177.270 176.600 -0.026 0.000 0.995 406 E CA 0.783 57.122 56.400 -0.103 0.000 0.836 406 E CB 0.171 29.813 29.700 -0.096 0.000 0.763 406 E HN 0.737 nan 8.360 nan 0.000 0.491 407 E N 0.101 120.288 120.200 -0.021 0.000 2.248 407 E HA 0.375 4.723 4.350 -0.003 0.000 0.267 407 E C -1.582 174.996 176.600 -0.037 0.000 0.877 407 E CA -0.683 55.708 56.400 -0.014 0.000 0.759 407 E CB 1.726 31.406 29.700 -0.033 0.000 1.182 407 E HN -0.193 nan 8.360 nan 0.000 0.418 408 V N 5.402 125.284 119.914 -0.052 0.000 2.524 408 V HA 0.363 4.481 4.120 -0.003 0.000 0.297 408 V C -0.663 175.260 176.094 -0.285 0.000 1.035 408 V CA -0.693 61.461 62.300 -0.243 0.000 0.867 408 V CB 1.268 32.887 31.823 -0.341 0.000 1.004 408 V HN 0.646 nan 8.190 nan 0.000 0.426 409 L N 3.895 124.920 121.223 -0.330 0.000 2.313 409 L HA 0.497 4.835 4.340 -0.003 0.000 0.283 409 L C 0.417 177.144 176.870 -0.239 0.000 1.013 409 L CA -0.205 54.542 54.840 -0.154 0.000 0.816 409 L CB 1.962 43.968 42.059 -0.087 0.000 1.236 409 L HN 0.660 nan 8.230 nan 0.000 0.419 410 W N 0.804 122.081 121.300 -0.039 0.000 2.699 410 W HA 0.051 4.709 4.660 -0.003 0.000 0.267 410 W C 1.075 177.555 176.519 -0.064 0.000 1.182 410 W CA 0.047 57.369 57.345 -0.038 0.000 1.453 410 W CB 0.207 29.648 29.460 -0.033 0.000 1.054 410 W HN 0.843 nan 8.180 nan 0.000 0.595 411 N N 0.385 119.173 118.700 0.146 0.000 2.741 411 N HA -0.178 4.561 4.740 -0.003 0.000 0.250 411 N C -0.908 174.549 175.510 -0.088 0.000 1.115 411 N CA 0.578 53.617 53.050 -0.018 0.000 0.724 411 N CB -1.381 37.091 38.487 -0.026 0.000 1.090 411 N HN -0.224 nan 8.380 nan 0.000 0.558 412 V N 0.640 120.532 119.914 -0.038 0.000 2.481 412 V HA 0.359 4.478 4.120 -0.003 0.000 0.286 412 V C 0.579 176.578 176.094 -0.158 0.000 1.042 412 V CA -0.566 61.712 62.300 -0.037 0.000 0.928 412 V CB 0.778 32.635 31.823 0.056 0.000 0.986 412 V HN 0.221 nan 8.190 nan 0.000 0.462 413 W N 5.011 126.310 121.300 -0.002 0.000 2.287 413 W HA 0.505 5.164 4.660 -0.003 0.000 0.313 413 W C -0.160 176.327 176.519 -0.053 0.000 1.267 413 W CA -0.445 56.883 57.345 -0.029 0.000 1.201 413 W CB 0.684 30.125 29.460 -0.031 0.000 1.196 413 W HN 0.352 nan 8.180 nan 0.000 0.536 414 L N 3.842 125.191 121.223 0.210 0.000 2.272 414 L HA 0.248 4.586 4.340 -0.003 0.000 0.284 414 L C 0.242 177.145 176.870 0.055 0.000 1.045 414 L CA -0.605 54.254 54.840 0.032 0.000 0.842 414 L CB 0.700 42.725 42.059 -0.055 0.000 1.224 414 L HN 0.432 nan 8.230 nan 0.000 0.430 415 E N 2.991 123.193 120.200 0.004 0.000 2.259 415 E HA 0.280 4.628 4.350 -0.003 0.000 0.281 415 E C -0.976 175.606 176.600 -0.030 0.000 1.037 415 E CA -0.435 55.980 56.400 0.025 0.000 0.854 415 E CB 0.716 30.412 29.700 -0.006 0.000 1.051 415 E HN 0.267 nan 8.360 nan 0.000 0.409 416 F N 1.626 121.627 119.950 0.084 0.000 2.411 416 F HA 0.129 4.654 4.527 -0.003 0.000 0.324 416 F C 1.789 177.636 175.800 0.079 0.000 1.086 416 F CA 0.001 58.072 58.000 0.120 0.000 1.028 416 F CB 1.592 40.742 39.000 0.251 0.000 1.284 416 F HN 0.632 nan 8.300 nan 0.000 0.501 417 S N 0.318 116.177 115.700 0.265 0.000 2.421 417 S HA 0.104 4.572 4.470 -0.003 0.000 0.224 417 S C 0.664 175.350 174.600 0.144 0.000 1.035 417 S CA 0.130 58.419 58.200 0.148 0.000 0.953 417 S CB -0.248 63.008 63.200 0.093 0.000 0.810 417 S HN 0.262 nan 8.310 nan 0.000 0.497 418 I N 3.768 124.443 120.570 0.174 0.000 2.752 418 I HA 0.130 4.299 4.170 -0.003 0.000 0.289 418 I C 0.689 176.868 176.117 0.104 0.000 1.197 418 I CA -0.025 61.331 61.300 0.093 0.000 1.432 418 I CB -0.386 37.630 38.000 0.027 0.000 1.359 418 I HN 0.320 nan 8.210 nan 0.000 0.571 419 K N 5.846 126.283 120.400 0.062 0.000 2.126 419 K HA 0.268 4.586 4.320 -0.003 0.000 0.257 419 K C 1.074 177.712 176.600 0.064 0.000 1.007 419 K CA -0.889 55.439 56.287 0.068 0.000 0.928 419 K CB 1.315 33.839 32.500 0.041 0.000 1.013 419 K HN 0.276 nan 8.250 nan 0.000 0.473 420 I N 1.643 122.267 120.570 0.090 0.000 2.208 420 I HA -0.239 3.929 4.170 -0.003 0.000 0.245 420 I C 1.945 178.101 176.117 0.065 0.000 1.097 420 I CA 1.528 62.887 61.300 0.098 0.000 1.363 420 I CB -0.764 37.313 38.000 0.129 0.000 1.051 420 I HN 0.530 nan 8.210 nan 0.000 0.413 421 K N 0.669 121.103 120.400 0.057 0.000 2.148 421 K HA -0.120 4.199 4.320 -0.003 0.000 0.204 421 K C 1.438 178.048 176.600 0.015 0.000 1.050 421 K CA 0.917 57.230 56.287 0.044 0.000 0.942 421 K CB -0.452 32.068 32.500 0.034 0.000 0.724 421 K HN 0.362 nan 8.250 nan 0.000 0.446 422 D N 0.659 121.058 120.400 -0.001 0.000 2.371 422 D HA -0.040 4.599 4.640 -0.003 0.000 0.221 422 D C 0.452 176.722 176.300 -0.050 0.000 0.986 422 D CA 0.218 54.200 54.000 -0.030 0.000 0.899 422 D CB 0.092 40.873 40.800 -0.032 0.000 0.902 422 D HN 0.128 nan 8.370 nan 0.000 0.530 423 L N 3.034 124.229 121.223 -0.047 0.000 2.462 423 L HA 0.134 4.472 4.340 -0.003 0.000 0.272 423 L C -1.979 174.861 176.870 -0.049 0.000 1.166 423 L CA -1.251 53.538 54.840 -0.085 0.000 0.880 423 L CB 0.364 42.358 42.059 -0.110 0.000 1.142 423 L HN -0.188 nan 8.230 nan 0.000 0.473 424 P HA 0.152 nan 4.420 nan 0.000 0.288 424 P C -0.985 176.341 177.300 0.043 0.000 1.267 424 P CA -0.863 62.217 63.100 -0.033 0.000 0.815 424 P CB 1.152 32.725 31.700 -0.212 0.000 0.989 425 K N 1.438 121.895 120.400 0.096 0.000 2.484 425 K HA 0.223 4.542 4.320 -0.003 0.000 0.280 425 K C 1.102 177.816 176.600 0.190 0.000 1.013 425 K CA 1.233 57.578 56.287 0.097 0.000 1.029 425 K CB -0.653 31.851 32.500 0.008 0.000 0.902 425 K HN 0.812 nan 8.250 nan 0.000 0.481 426 G N 1.879 110.787 108.800 0.180 0.000 2.213 426 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.236 426 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.236 426 G C 0.083 174.950 174.900 -0.054 0.000 0.991 426 G CA -0.017 45.100 45.100 0.028 0.000 0.629 426 G HN 0.923 nan 8.290 nan 0.000 0.517 427 A N 0.386 123.254 122.820 0.079 0.000 2.462 427 A HA 0.673 4.992 4.320 -0.003 0.000 0.243 427 A C 0.309 177.824 177.584 -0.115 0.000 1.076 427 A CA 0.336 52.386 52.037 0.022 0.000 0.773 427 A CB 0.317 19.310 19.000 -0.012 0.000 1.010 427 A HN 0.895 nan 8.150 nan 0.000 0.493 428 L N 2.602 123.748 121.223 -0.128 0.000 2.305 428 L HA 0.300 4.638 4.340 -0.003 0.000 0.284 428 L C -0.378 176.404 176.870 -0.146 0.000 1.013 428 L CA -0.924 53.833 54.840 -0.138 0.000 0.819 428 L CB 1.624 43.619 42.059 -0.105 0.000 1.227 428 L HN 0.701 nan 8.230 nan 0.000 0.417 429 L N 5.138 126.261 121.223 -0.166 0.000 2.565 429 L HA 0.114 4.452 4.340 -0.003 0.000 0.275 429 L C 0.319 177.162 176.870 -0.046 0.000 1.137 429 L CA 0.668 55.431 54.840 -0.127 0.000 0.915 429 L CB -0.141 41.856 42.059 -0.103 0.000 1.232 429 L HN 0.587 nan 8.230 nan 0.000 0.473 430 N N 6.505 125.203 118.700 -0.004 0.000 2.485 430 N HA 0.218 4.956 4.740 -0.003 0.000 0.243 430 N C -1.295 174.262 175.510 0.078 0.000 0.987 430 N CA -0.568 52.509 53.050 0.044 0.000 0.940 430 N CB 0.574 39.085 38.487 0.041 0.000 1.122 430 N HN 0.624 nan 8.380 nan 0.000 0.509 431 L N 3.027 124.294 121.223 0.073 0.000 2.265 431 L HA 0.354 4.692 4.340 -0.003 0.000 0.288 431 L C 0.237 177.154 176.870 0.079 0.000 1.058 431 L CA -0.422 54.458 54.840 0.065 0.000 0.809 431 L CB 1.201 43.272 42.059 0.019 0.000 1.179 431 L HN 0.385 nan 8.230 nan 0.000 0.429 432 Q N 3.963 123.806 119.800 0.072 0.000 2.394 432 Q HA 0.645 4.984 4.340 -0.003 0.000 0.273 432 Q C -1.134 174.829 176.000 -0.062 0.000 1.089 432 Q CA -0.787 55.024 55.803 0.013 0.000 0.812 432 Q CB 3.432 32.166 28.738 -0.008 0.000 1.353 432 Q HN 0.536 nan 8.270 nan 0.000 0.438 433 I N 2.107 122.571 120.570 -0.176 0.000 2.406 433 I HA 0.394 4.562 4.170 -0.003 0.000 0.290 433 I C -1.204 174.667 176.117 -0.410 0.000 0.999 433 I CA -0.540 60.631 61.300 -0.215 0.000 1.124 433 I CB 0.925 38.870 38.000 -0.092 0.000 1.289 433 I HN 0.537 nan 8.210 nan 0.000 0.441 434 Y N 4.385 124.350 120.300 -0.558 0.000 2.598 434 Y HA 0.651 5.199 4.550 -0.003 0.000 0.340 434 Y C 0.334 175.894 175.900 -0.566 0.000 1.038 434 Y CA -0.805 56.965 58.100 -0.550 0.000 1.100 434 Y CB 1.653 39.701 38.460 -0.686 0.000 1.281 434 Y HN 0.598 nan 8.280 nan 0.000 0.488 461 L N 2.691 123.734 121.223 -0.300 0.000 2.357 461 L HA 0.352 4.690 4.340 -0.003 0.000 0.211 461 L C -0.363 176.162 176.870 -0.574 0.000 1.075 461 L CA 0.436 55.044 54.840 -0.386 0.000 0.830 461 L CB 0.091 41.956 42.059 -0.323 0.000 0.996 461 L HN 0.469 nan 8.230 nan 0.000 0.467 462 Y N -1.217 119.030 120.300 -0.088 0.000 2.588 462 Y HA 0.527 5.075 4.550 -0.003 0.000 0.343 462 Y C -0.832 175.089 175.900 0.035 0.000 1.065 462 Y CA -1.435 56.645 58.100 -0.033 0.000 1.038 462 Y CB 1.782 40.194 38.460 -0.081 0.000 1.297 462 Y HN -0.034 nan 8.280 nan 0.000 0.467 463 Y N -1.016 119.378 120.300 0.158 0.000 2.581 463 Y HA 0.866 5.414 4.550 -0.003 0.000 0.337 463 Y C -2.188 173.820 175.900 0.180 0.000 1.108 463 Y CA -1.407 56.753 58.100 0.099 0.000 1.033 463 Y CB 1.407 39.895 38.460 0.048 0.000 1.318 463 Y HN 0.617 nan 8.280 nan 0.000 0.459 464 V N 2.367 122.419 119.914 0.230 0.000 3.204 464 V HA 0.573 4.691 4.120 -0.003 0.000 0.298 464 V C -1.898 174.295 176.094 0.164 0.000 1.328 464 V CA -0.793 61.608 62.300 0.169 0.000 1.035 464 V CB 2.557 34.372 31.823 -0.013 0.000 1.095 464 V HN 0.995 nan 8.190 nan 0.000 0.442 465 N N 2.820 121.604 118.700 0.141 0.000 2.265 465 N HA 0.751 5.489 4.740 -0.003 0.000 0.300 465 N C -1.773 173.732 175.510 -0.008 0.000 1.148 465 N CA -0.401 52.687 53.050 0.063 0.000 0.772 465 N CB 2.520 41.051 38.487 0.074 0.000 1.434 465 N HN 0.544 nan 8.380 nan 0.000 0.481 466 L N 1.363 122.543 121.223 -0.072 0.000 2.482 466 L HA 0.453 4.791 4.340 -0.003 0.000 0.269 466 L C -1.227 175.561 176.870 -0.136 0.000 0.967 466 L CA -0.406 54.353 54.840 -0.134 0.000 0.851 466 L CB 1.321 43.220 42.059 -0.268 0.000 1.242 466 L HN 0.467 nan 8.230 nan 0.000 0.404 467 L N 5.738 126.886 121.223 -0.124 0.000 2.584 467 L HA 0.015 4.353 4.340 -0.003 0.000 0.272 467 L C 1.290 178.090 176.870 -0.116 0.000 1.195 467 L CA 0.371 55.121 54.840 -0.150 0.000 0.920 467 L CB 0.399 42.344 42.059 -0.190 0.000 1.173 467 L HN 0.759 nan 8.230 nan 0.000 0.489 468 L N 4.744 125.887 121.223 -0.134 0.000 2.240 468 L HA 0.052 4.390 4.340 -0.003 0.000 0.211 468 L C 0.505 177.343 176.870 -0.053 0.000 1.106 468 L CA 0.856 55.621 54.840 -0.126 0.000 0.793 468 L CB 0.078 41.984 42.059 -0.255 0.000 0.927 468 L HN 0.523 nan 8.230 nan 0.000 0.446 469 I N 0.274 120.831 120.570 -0.023 0.000 2.389 469 I HA 0.124 4.293 4.170 -0.003 0.000 0.288 469 I C -0.289 175.874 176.117 0.077 0.000 0.999 469 I CA -0.881 60.431 61.300 0.021 0.000 1.129 469 I CB 1.465 39.474 38.000 0.015 0.000 1.288 469 I HN 0.014 nan 8.210 nan 0.000 0.444 470 D N 5.572 125.996 120.400 0.039 0.000 2.414 470 D HA -0.043 4.596 4.640 -0.003 0.000 0.259 470 D C 1.171 177.445 176.300 -0.043 0.000 1.269 470 D CA 0.122 54.158 54.000 0.060 0.000 1.028 470 D CB 0.406 41.191 40.800 -0.026 0.000 1.093 470 D HN 0.654 nan 8.370 nan 0.000 0.545 471 H N -0.715 118.285 119.070 -0.117 0.000 2.559 471 H HA 0.101 4.655 4.556 -0.003 0.000 0.273 471 H C 0.804 175.886 175.328 -0.410 0.000 1.000 471 H CA 0.366 56.194 56.048 -0.367 0.000 1.195 471 H CB -0.131 29.389 29.762 -0.404 0.000 1.368 471 H HN 0.324 nan 8.280 nan 0.000 0.592 472 R N -0.325 119.855 120.500 -0.533 0.000 2.552 472 R HA 0.110 4.448 4.340 -0.003 0.000 0.314 472 R C -0.461 175.944 176.300 0.176 0.000 1.041 472 R CA -0.395 55.606 56.100 -0.165 0.000 1.076 472 R CB -0.020 30.130 30.300 -0.250 0.000 1.290 472 R HN 0.079 nan 8.270 nan 0.000 0.563 473 F N -0.929 118.939 119.950 -0.137 0.000 3.006 473 F HA -0.295 4.230 4.527 -0.003 0.000 0.289 473 F C -0.103 175.693 175.800 -0.006 0.000 0.772 473 F CA 0.415 58.386 58.000 -0.049 0.000 1.162 473 F CB -1.569 37.417 39.000 -0.022 0.000 1.382 473 F HN 0.077 nan 8.300 nan 0.000 0.406 474 L N 0.890 122.168 121.223 0.091 0.000 2.326 474 L HA 0.368 4.706 4.340 -0.003 0.000 0.278 474 L C 0.555 177.467 176.870 0.069 0.000 1.092 474 L CA -1.033 53.863 54.840 0.092 0.000 0.810 474 L CB 0.873 42.956 42.059 0.041 0.000 1.153 474 L HN -0.018 nan 8.230 nan 0.000 0.439 475 L N 3.459 124.727 121.223 0.074 0.000 2.456 475 L HA 0.113 4.451 4.340 -0.003 0.000 0.272 475 L C 0.484 177.367 176.870 0.021 0.000 1.189 475 L CA 0.362 55.212 54.840 0.017 0.000 0.846 475 L CB 0.416 42.424 42.059 -0.086 0.000 1.111 475 L HN 0.505 nan 8.230 nan 0.000 0.475 476 R N 4.658 125.187 120.500 0.049 0.000 2.347 476 R HA 0.369 4.708 4.340 -0.003 0.000 0.304 476 R C -0.670 175.715 176.300 0.141 0.000 1.072 476 R CA 0.026 56.184 56.100 0.097 0.000 0.980 476 R CB 0.315 30.639 30.300 0.041 0.000 0.986 476 R HN 0.694 nan 8.270 nan 0.000 0.448 477 R N 2.763 123.381 120.500 0.196 0.000 2.673 477 R HA 0.554 4.892 4.340 -0.003 0.000 0.281 477 R C -0.991 175.433 176.300 0.206 0.000 0.991 477 R CA -0.045 56.159 56.100 0.173 0.000 0.896 477 R CB 2.205 32.546 30.300 0.068 0.000 1.201 477 R HN 0.961 nan 8.270 nan 0.000 0.457 478 G N 1.888 110.785 108.800 0.162 0.000 2.316 478 G HA2 -0.119 3.839 3.960 -0.003 0.000 0.349 478 G HA3 -0.119 3.839 3.960 -0.003 0.000 0.349 478 G C -1.562 173.301 174.900 -0.061 0.000 1.274 478 G CA -0.890 44.206 45.100 -0.006 0.000 1.018 478 G HN 0.421 nan 8.290 nan 0.000 0.486 479 E N 0.319 120.374 120.200 -0.242 0.000 2.115 479 E HA 0.503 4.852 4.350 -0.003 0.000 0.282 479 E C -1.220 175.139 176.600 -0.401 0.000 0.987 479 E CA -0.126 56.159 56.400 -0.191 0.000 0.797 479 E CB 1.346 30.969 29.700 -0.129 0.000 1.086 479 E HN 0.379 nan 8.360 nan 0.000 0.397 480 Y N 0.541 120.808 120.300 -0.055 0.000 2.364 480 Y HA 0.283 4.831 4.550 -0.003 0.000 0.340 480 Y C 0.156 175.993 175.900 -0.104 0.000 0.975 480 Y CA -0.941 57.105 58.100 -0.091 0.000 1.089 480 Y CB 1.749 40.114 38.460 -0.158 0.000 1.192 480 Y HN 0.141 nan 8.280 nan 0.000 0.454 481 V N 5.724 125.652 119.914 0.022 0.000 2.313 481 V HA 0.338 4.457 4.120 -0.003 0.000 0.278 481 V C -0.425 175.615 176.094 -0.090 0.000 1.017 481 V CA -0.737 61.526 62.300 -0.062 0.000 0.823 481 V CB 0.789 32.568 31.823 -0.073 0.000 1.010 481 V HN 0.580 nan 8.190 nan 0.000 0.443 482 L N 5.252 126.375 121.223 -0.166 0.000 2.280 482 L HA 0.536 4.875 4.340 -0.003 0.000 0.287 482 L C 0.025 176.715 176.870 -0.300 0.000 1.023 482 L CA -0.539 54.200 54.840 -0.168 0.000 0.819 482 L CB 0.882 42.849 42.059 -0.154 0.000 1.212 482 L HN 0.574 nan 8.230 nan 0.000 0.420 483 H N 4.898 123.860 119.070 -0.180 0.000 2.580 483 H HA 0.421 4.976 4.556 -0.003 0.000 0.322 483 H C -0.318 174.749 175.328 -0.435 0.000 1.082 483 H CA -0.029 55.859 56.048 -0.266 0.000 1.383 483 H CB 1.532 31.142 29.762 -0.254 0.000 1.450 483 H HN 0.475 nan 8.280 nan 0.000 0.505 484 M N 2.220 121.622 119.600 -0.331 0.000 2.598 484 M HA 0.236 4.714 4.480 -0.003 0.000 0.317 484 M C -0.683 175.335 176.300 -0.469 0.000 1.201 484 M CA -0.809 54.252 55.300 -0.398 0.000 0.971 484 M CB 1.814 34.301 32.600 -0.190 0.000 1.657 484 M HN 0.417 nan 8.290 nan 0.000 0.470 485 W N 1.131 122.235 121.300 -0.327 0.000 2.315 485 W HA 0.399 5.057 4.660 -0.003 0.000 0.316 485 W C 0.293 176.674 176.519 -0.230 0.000 1.211 485 W CA -0.281 56.840 57.345 -0.372 0.000 1.201 485 W CB 0.446 29.475 29.460 -0.719 0.000 1.184 485 W HN 0.515 nan 8.180 nan 0.000 0.544 486 Q N 2.092 121.988 119.800 0.160 0.000 2.260 486 Q HA 0.331 4.669 4.340 -0.003 0.000 0.238 486 Q C -0.466 175.571 176.000 0.061 0.000 0.948 486 Q CA -0.681 55.104 55.803 -0.031 0.000 0.895 486 Q CB 0.966 29.685 28.738 -0.032 0.000 1.218 486 Q HN 0.321 nan 8.270 nan 0.000 0.470 487 I N 2.968 123.512 120.570 -0.043 0.000 2.325 487 I HA 0.070 4.238 4.170 -0.003 0.000 0.291 487 I C 0.246 176.369 176.117 0.011 0.000 1.019 487 I CA -0.046 61.278 61.300 0.040 0.000 1.302 487 I CB 0.951 38.938 38.000 -0.021 0.000 1.401 487 I HN 0.626 nan 8.210 nan 0.000 0.485 488 S N 4.830 120.563 115.700 0.055 0.000 2.525 488 S HA 0.300 4.769 4.470 -0.003 0.000 0.285 488 S C 0.623 175.241 174.600 0.029 0.000 1.283 488 S CA -0.664 57.563 58.200 0.046 0.000 1.072 488 S CB 0.821 64.058 63.200 0.061 0.000 0.867 488 S HN 0.795 nan 8.310 nan 0.000 0.492 498 N N 0.717 119.506 118.700 0.148 0.000 2.455 498 N HA 0.554 5.293 4.740 -0.003 0.000 0.278 498 N C 0.165 175.711 175.510 0.059 0.000 1.291 498 N CA 0.141 53.232 53.050 0.068 0.000 0.780 498 N CB 1.505 40.004 38.487 0.020 0.000 1.520 498 N HN 0.250 nan 8.380 nan 0.000 0.486 499 A N 0.255 123.118 122.820 0.073 0.000 2.067 499 A HA -0.085 4.233 4.320 -0.003 0.000 0.219 499 A C 1.082 178.725 177.584 0.099 0.000 1.158 499 A CA 1.316 53.407 52.037 0.090 0.000 0.661 499 A CB -0.564 18.358 19.000 -0.130 0.000 0.801 499 A HN 0.734 nan 8.150 nan 0.000 0.452 500 D N 0.075 120.447 120.400 -0.046 0.000 2.218 500 D HA -0.101 4.537 4.640 -0.003 0.000 0.204 500 D C 1.614 177.846 176.300 -0.113 0.000 0.976 500 D CA 0.996 54.851 54.000 -0.242 0.000 0.853 500 D CB -0.200 40.134 40.800 -0.776 0.000 0.939 500 D HN 0.459 nan 8.370 nan 0.000 0.481 501 K N 0.099 120.403 120.400 -0.161 0.000 2.442 501 K HA 0.028 4.346 4.320 -0.003 0.000 0.198 501 K C 1.600 178.157 176.600 -0.072 0.000 1.042 501 K CA 0.302 56.390 56.287 -0.332 0.000 0.958 501 K CB 0.177 32.429 32.500 -0.414 0.000 0.766 501 K HN 0.210 nan 8.250 nan 0.000 0.474 502 L N 0.076 121.324 121.223 0.042 0.000 2.607 502 L HA 0.049 4.387 4.340 -0.003 0.000 0.228 502 L C 1.110 178.029 176.870 0.082 0.000 1.123 502 L CA -0.077 54.809 54.840 0.077 0.000 0.890 502 L CB 0.213 42.348 42.059 0.128 0.000 1.103 502 L HN -0.023 nan 8.230 nan 0.000 0.468 503 T N -0.479 114.099 114.554 0.039 0.000 2.919 503 T HA 0.025 4.374 4.350 -0.003 0.000 0.302 503 T C 1.315 176.022 174.700 0.012 0.000 1.031 503 T CA 0.237 62.267 62.100 -0.117 0.000 1.127 503 T CB 1.140 69.663 68.868 -0.574 0.000 0.952 503 T HN 0.322 nan 8.240 nan 0.000 0.540 504 S N 3.283 118.979 115.700 -0.007 0.000 2.562 504 S HA 0.315 4.783 4.470 -0.003 0.000 0.221 504 S C 0.955 175.632 174.600 0.129 0.000 0.975 504 S CA -0.042 58.179 58.200 0.034 0.000 0.918 504 S CB -0.180 62.973 63.200 -0.078 0.000 0.772 504 S HN 0.926 nan 8.310 nan 0.000 0.531 505 A N 2.318 125.213 122.820 0.125 0.000 2.407 505 A HA 0.539 4.858 4.320 -0.003 0.000 0.248 505 A C 0.721 178.511 177.584 0.344 0.000 1.082 505 A CA -0.006 52.153 52.037 0.204 0.000 0.785 505 A CB 0.047 19.134 19.000 0.144 0.000 1.020 505 A HN 0.612 nan 8.150 nan 0.000 0.489 506 T N 0.068 114.724 114.554 0.170 0.000 2.943 506 T HA 0.365 4.713 4.350 -0.003 0.000 0.284 506 T C 0.136 174.525 174.700 -0.518 0.000 1.015 506 T CA -0.958 61.064 62.100 -0.131 0.000 1.042 506 T CB 0.730 69.577 68.868 -0.035 0.000 1.055 506 T HN 0.559 nan 8.240 nan 0.000 0.500 507 N N 2.997 120.982 118.700 -1.191 0.000 2.414 507 N HA 0.085 4.823 4.740 -0.003 0.000 0.268 507 N C -1.167 174.039 175.510 -0.506 0.000 1.286 507 N CA -1.839 50.448 53.050 -1.272 0.000 0.896 507 N CB 0.982 38.815 38.487 -1.090 0.000 1.093 507 N HN 0.452 nan 8.380 nan 0.000 0.480 508 P HA -0.095 nan 4.420 nan 0.000 0.219 508 P C 0.066 177.256 177.300 -0.183 0.000 1.150 508 P CA 0.690 63.698 63.100 -0.153 0.000 0.814 508 P CB 0.128 31.817 31.700 -0.020 0.000 0.787 509 D N 0.924 121.219 120.400 -0.175 0.000 2.429 509 D HA -0.026 4.612 4.640 -0.003 0.000 0.253 509 D C 1.041 177.213 176.300 -0.214 0.000 1.294 509 D CA 0.278 54.191 54.000 -0.144 0.000 1.063 509 D CB -0.138 40.612 40.800 -0.082 0.000 1.096 509 D HN 0.008 nan 8.370 nan 0.000 0.516 510 K N 1.731 121.964 120.400 -0.279 0.000 2.418 510 K HA -0.017 4.301 4.320 -0.003 0.000 0.195 510 K C 1.434 177.902 176.600 -0.220 0.000 1.035 510 K CA 0.238 56.254 56.287 -0.453 0.000 1.003 510 K CB 0.430 32.616 32.500 -0.524 0.000 0.793 510 K HN 0.426 nan 8.250 nan 0.000 0.494 511 E N 0.462 120.587 120.200 -0.125 0.000 2.230 511 E HA -0.067 4.281 4.350 -0.003 0.000 0.192 511 E C 0.862 177.443 176.600 -0.032 0.000 0.987 511 E CA 0.723 57.085 56.400 -0.063 0.000 0.841 511 E CB 0.368 30.039 29.700 -0.049 0.000 0.783 511 E HN 0.217 nan 8.360 nan 0.000 0.481 512 N N -0.298 118.385 118.700 -0.029 0.000 2.382 512 N HA -0.031 4.707 4.740 -0.003 0.000 0.200 512 N C 0.316 175.839 175.510 0.021 0.000 1.122 512 N CA 0.220 53.271 53.050 0.002 0.000 0.870 512 N CB 0.531 39.024 38.487 0.011 0.000 1.176 512 N HN -0.030 nan 8.380 nan 0.000 0.474 513 S N 0.570 116.275 115.700 0.008 0.000 2.585 513 S HA 0.291 4.760 4.470 -0.003 0.000 0.273 513 S C 0.427 175.034 174.600 0.011 0.000 1.339 513 S CA -0.652 57.560 58.200 0.021 0.000 1.028 513 S CB 0.982 64.155 63.200 -0.045 0.000 0.906 513 S HN 0.169 nan 8.310 nan 0.000 0.528 514 M N 2.918 122.452 119.600 -0.110 0.000 2.243 514 M HA 0.407 4.885 4.480 -0.003 0.000 0.341 514 M C -0.130 176.004 176.300 -0.276 0.000 1.130 514 M CA 0.396 55.513 55.300 -0.306 0.000 1.162 514 M CB 0.899 32.963 32.600 -0.894 0.000 1.497 514 M HN 0.908 nan 8.290 nan 0.000 0.456 515 S N 5.629 121.151 115.700 -0.298 0.000 2.538 515 S HA 0.698 5.166 4.470 -0.003 0.000 0.288 515 S C -0.904 173.537 174.600 -0.265 0.000 1.108 515 S CA -1.019 56.934 58.200 -0.411 0.000 0.971 515 S CB 1.081 63.886 63.200 -0.659 0.000 1.041 515 S HN 0.901 nan 8.310 nan 0.000 0.483 516 I N 2.506 122.936 120.570 -0.234 0.000 2.607 516 I HA 0.652 4.821 4.170 -0.003 0.000 0.305 516 I C -0.653 175.394 176.117 -0.117 0.000 0.995 516 I CA -0.263 60.954 61.300 -0.138 0.000 1.148 516 I CB 2.110 40.042 38.000 -0.113 0.000 1.323 516 I HN 0.769 nan 8.210 nan 0.000 0.461 517 S N 7.148 122.808 115.700 -0.067 0.000 2.605 517 S HA 0.660 5.128 4.470 -0.003 0.000 0.308 517 S C -0.649 173.928 174.600 -0.038 0.000 1.113 517 S CA -0.511 57.659 58.200 -0.050 0.000 1.049 517 S CB 1.188 64.359 63.200 -0.048 0.000 1.001 517 S HN 0.511 nan 8.310 nan 0.000 0.480 518 I N 0.360 120.922 120.570 -0.013 0.000 3.145 518 I HA 0.891 5.059 4.170 -0.003 0.000 0.313 518 I C -1.715 174.412 176.117 0.017 0.000 1.122 518 I CA -1.399 59.892 61.300 -0.014 0.000 0.987 518 I CB 1.810 39.817 38.000 0.012 0.000 1.236 518 I HN 0.460 nan 8.210 nan 0.000 0.453 519 L N 3.242 124.456 121.223 -0.014 0.000 2.476 519 L HA 0.620 4.958 4.340 -0.003 0.000 0.269 519 L C -1.992 174.945 176.870 0.112 0.000 0.965 519 L CA -0.398 54.460 54.840 0.031 0.000 0.845 519 L CB 1.817 43.836 42.059 -0.066 0.000 1.259 519 L HN 0.530 nan 8.230 nan 0.000 0.403 520 L N 4.458 125.787 121.223 0.176 0.000 2.282 520 L HA 0.538 4.876 4.340 -0.003 0.000 0.288 520 L C -0.139 176.820 176.870 0.149 0.000 1.033 520 L CA 0.078 55.018 54.840 0.167 0.000 0.807 520 L CB 1.199 43.374 42.059 0.193 0.000 1.209 520 L HN 0.637 nan 8.230 nan 0.000 0.423 521 D N 2.027 122.507 120.400 0.132 0.000 2.952 521 D HA 0.169 4.807 4.640 -0.003 0.000 0.373 521 D C -0.103 176.195 176.300 -0.002 0.000 1.360 521 D CA -0.154 53.891 54.000 0.075 0.000 0.788 521 D CB 0.494 41.362 40.800 0.115 0.000 1.192 521 D HN 0.408 nan 8.370 nan 0.000 0.462 526 P HA 0.383 nan 4.420 nan 0.000 0.319 526 P C -0.325 177.041 177.300 0.109 0.000 1.291 526 P CA -0.465 62.712 63.100 0.129 0.000 0.817 526 P CB 1.302 33.099 31.700 0.162 0.000 1.349 527 I N -2.176 118.448 120.570 0.091 0.000 3.704 527 I HA -0.049 4.119 4.170 -0.003 0.000 0.126 527 I C 0.108 176.257 176.117 0.052 0.000 1.017 527 I CA 0.409 61.761 61.300 0.087 0.000 2.740 527 I CB -2.169 35.916 38.000 0.142 0.000 1.302 527 I HN 0.627 nan 8.210 nan 0.000 0.342 545 A N 1.313 124.134 122.820 0.003 0.000 2.435 545 A HA -0.128 4.190 4.320 -0.003 0.000 0.686 545 A C -0.843 176.771 177.584 0.051 0.000 0.138 545 A CA 1.021 53.077 52.037 0.031 0.000 0.025 545 A CB -0.477 18.552 19.000 0.048 0.000 3.974 545 A HN 0.579 nan 8.150 nan 0.000 0.548 546 E N 1.997 122.226 120.200 0.048 0.000 2.210 546 E HA 0.714 5.063 4.350 -0.003 0.000 0.266 546 E C 0.289 176.908 176.600 0.033 0.000 0.883 546 E CA -0.643 55.778 56.400 0.036 0.000 0.761 546 E CB 0.940 30.648 29.700 0.013 0.000 1.156 546 E HN 0.615 nan 8.360 nan 0.000 0.412 547 M N 5.042 124.634 119.600 -0.013 0.000 2.250 547 M HA 0.170 4.648 4.480 -0.003 0.000 0.337 547 M C -1.710 174.546 176.300 -0.073 0.000 1.161 547 M CA -1.243 53.997 55.300 -0.099 0.000 1.088 547 M CB 0.205 32.600 32.600 -0.341 0.000 1.639 547 M HN 0.351 nan 8.290 nan 0.000 0.447 548 P HA 0.009 nan 4.420 nan 0.000 0.267 548 P C -0.385 176.876 177.300 -0.066 0.000 1.205 548 P CA 0.026 63.105 63.100 -0.036 0.000 0.765 548 P CB 0.163 31.857 31.700 -0.010 0.000 0.828 549 N N 3.019 121.692 118.700 -0.046 0.000 2.334 549 N HA -0.259 4.480 4.740 -0.003 0.000 0.187 549 N C 1.489 176.966 175.510 -0.055 0.000 1.016 549 N CA 1.514 54.534 53.050 -0.050 0.000 0.879 549 N CB -0.422 38.046 38.487 -0.032 0.000 0.965 549 N HN 0.332 nan 8.380 nan 0.000 0.438 550 Q N -0.458 119.315 119.800 -0.045 0.000 2.269 550 Q HA 0.253 4.591 4.340 -0.003 0.000 0.201 550 Q C 1.797 177.768 176.000 -0.049 0.000 0.946 550 Q CA 0.700 56.481 55.803 -0.038 0.000 0.877 550 Q CB 0.070 28.795 28.738 -0.021 0.000 0.963 550 Q HN 0.472 nan 8.270 nan 0.000 0.472 551 L N -0.568 120.611 121.223 -0.073 0.000 2.162 551 L HA -0.016 4.323 4.340 -0.003 0.000 0.205 551 L C 2.382 179.157 176.870 -0.158 0.000 1.086 551 L CA 0.801 55.582 54.840 -0.098 0.000 0.778 551 L CB -0.284 41.706 42.059 -0.116 0.000 0.928 551 L HN 0.159 nan 8.230 nan 0.000 0.446 552 R N 0.973 121.357 120.500 -0.193 0.000 2.103 552 R HA -0.243 4.096 4.340 -0.003 0.000 0.242 552 R C 2.167 178.398 176.300 -0.115 0.000 1.142 552 R CA 1.850 57.843 56.100 -0.177 0.000 0.960 552 R CB -0.108 30.110 30.300 -0.137 0.000 0.858 552 R HN 0.182 nan 8.270 nan 0.000 0.439 553 K N 0.098 120.448 120.400 -0.083 0.000 2.057 553 K HA -0.170 4.149 4.320 -0.003 0.000 0.207 553 K C 2.353 178.919 176.600 -0.055 0.000 1.049 553 K CA 1.740 57.991 56.287 -0.060 0.000 0.931 553 K CB -0.128 32.346 32.500 -0.043 0.000 0.714 553 K HN 0.296 nan 8.250 nan 0.000 0.440 554 Q N 0.527 120.297 119.800 -0.050 0.000 2.135 554 Q HA -0.204 4.134 4.340 -0.003 0.000 0.204 554 Q C 2.159 178.138 176.000 -0.035 0.000 0.981 554 Q CA 1.409 57.193 55.803 -0.032 0.000 0.856 554 Q CB -0.035 28.694 28.738 -0.015 0.000 0.902 554 Q HN 0.247 nan 8.270 nan 0.000 0.425 555 L N 0.472 121.659 121.223 -0.060 0.000 2.131 555 L HA -0.100 4.239 4.340 -0.003 0.000 0.206 555 L C 1.943 178.761 176.870 -0.088 0.000 1.087 555 L CA 1.539 56.343 54.840 -0.060 0.000 0.767 555 L CB -0.086 41.917 42.059 -0.093 0.000 0.917 555 L HN 0.117 nan 8.230 nan 0.000 0.441 556 E N -0.431 119.702 120.200 -0.113 0.000 2.072 556 E HA -0.196 4.152 4.350 -0.003 0.000 0.191 556 E C 2.220 178.768 176.600 -0.087 0.000 0.985 556 E CA 1.033 57.350 56.400 -0.139 0.000 0.801 556 E CB -0.257 29.369 29.700 -0.123 0.000 0.750 556 E HN 0.644 nan 8.360 nan 0.000 0.452 557 A N 1.101 123.886 122.820 -0.058 0.000 1.892 557 A HA -0.243 4.075 4.320 -0.003 0.000 0.218 557 A C 2.159 179.727 177.584 -0.027 0.000 1.188 557 A CA 1.450 53.466 52.037 -0.036 0.000 0.631 557 A CB -0.748 18.236 19.000 -0.027 0.000 0.822 557 A HN 0.193 nan 8.150 nan 0.000 0.447 558 I N -0.505 120.051 120.570 -0.023 0.000 2.127 558 I HA -0.293 3.875 4.170 -0.003 0.000 0.241 558 I C 2.318 178.433 176.117 -0.005 0.000 1.075 558 I CA 1.656 62.952 61.300 -0.006 0.000 1.334 558 I CB -0.250 37.753 38.000 0.005 0.000 1.040 558 I HN 0.326 nan 8.210 nan 0.000 0.405 559 I N 0.251 120.805 120.570 -0.027 0.000 2.361 559 I HA -0.283 3.885 4.170 -0.003 0.000 0.251 559 I C 2.616 178.727 176.117 -0.009 0.000 1.133 559 I CA 1.191 62.479 61.300 -0.021 0.000 1.413 559 I CB -0.393 37.553 38.000 -0.089 0.000 1.073 559 I HN 0.203 nan 8.210 nan 0.000 0.424 560 A N 0.340 123.145 122.820 -0.025 0.000 1.969 560 A HA -0.108 4.211 4.320 -0.003 0.000 0.218 560 A C 1.624 179.205 177.584 -0.005 0.000 1.169 560 A CA 1.536 53.563 52.037 -0.016 0.000 0.635 560 A CB -1.196 17.790 19.000 -0.025 0.000 0.810 560 A HN 0.498 nan 8.150 nan 0.000 0.445 561 T N 0.048 114.602 114.554 -0.001 0.000 2.680 561 T HA 0.284 4.632 4.350 -0.003 0.000 0.314 561 T C 0.096 174.803 174.700 0.012 0.000 1.045 561 T CA -0.032 62.069 62.100 0.002 0.000 1.025 561 T CB 0.162 69.034 68.868 0.005 0.000 1.000 561 T HN 0.545 nan 8.240 nan 0.000 0.535 562 D N 0.082 120.488 120.400 0.009 0.000 2.340 562 D HA 0.220 4.858 4.640 -0.003 0.000 0.251 562 D C -2.165 174.155 176.300 0.032 0.000 1.080 562 D CA -2.135 51.874 54.000 0.014 0.000 0.971 562 D CB 0.927 41.726 40.800 -0.002 0.000 1.137 562 D HN 0.187 nan 8.370 nan 0.000 0.475 563 P HA -0.012 nan 4.420 nan 0.000 0.225 563 P C 1.207 178.539 177.300 0.053 0.000 1.148 563 P CA 0.852 63.990 63.100 0.063 0.000 0.779 563 P CB 0.165 31.905 31.700 0.067 0.000 0.780 564 L N -2.488 118.756 121.223 0.035 0.000 2.513 564 L HA 0.139 4.477 4.340 -0.003 0.000 0.222 564 L C 0.888 177.769 176.870 0.018 0.000 1.096 564 L CA -0.211 54.645 54.840 0.026 0.000 0.857 564 L CB -0.542 41.531 42.059 0.023 0.000 1.026 564 L HN -0.133 nan 8.230 nan 0.000 0.469 565 N N 2.355 121.065 118.700 0.017 0.000 2.414 565 N HA 0.040 4.778 4.740 -0.003 0.000 0.268 565 N C -2.265 173.256 175.510 0.019 0.000 1.286 565 N CA -0.960 52.098 53.050 0.013 0.000 0.896 565 N CB 0.472 38.965 38.487 0.011 0.000 1.093 565 N HN -0.046 nan 8.380 nan 0.000 0.480 566 P HA 0.137 nan 4.420 nan 0.000 0.275 566 P C -0.678 176.633 177.300 0.017 0.000 1.227 566 P CA -0.158 62.950 63.100 0.014 0.000 0.781 566 P CB 0.792 32.497 31.700 0.009 0.000 0.906 567 L N 2.033 123.269 121.223 0.021 0.000 2.312 567 L HA 0.312 4.650 4.340 -0.003 0.000 0.281 567 L C 1.143 178.023 176.870 0.018 0.000 1.070 567 L CA -0.370 54.484 54.840 0.024 0.000 0.805 567 L CB 0.737 42.815 42.059 0.033 0.000 1.174 567 L HN 0.340 nan 8.230 nan 0.000 0.434 568 T N 0.965 115.529 114.554 0.017 0.000 2.788 568 T HA 0.165 4.513 4.350 -0.003 0.000 0.287 568 T C 1.276 175.984 174.700 0.013 0.000 1.007 568 T CA 0.066 62.174 62.100 0.013 0.000 1.005 568 T CB 1.417 70.293 68.868 0.013 0.000 1.012 568 T HN 0.740 nan 8.240 nan 0.000 0.530 569 A N 0.284 123.109 122.820 0.008 0.000 1.902 569 A HA -0.097 4.222 4.320 -0.003 0.000 0.217 569 A C 2.211 179.802 177.584 0.012 0.000 1.181 569 A CA 1.391 53.430 52.037 0.004 0.000 0.623 569 A CB -0.658 18.340 19.000 -0.003 0.000 0.818 569 A HN 0.905 nan 8.150 nan 0.000 0.443 570 E N 0.018 120.227 120.200 0.014 0.000 2.118 570 E HA -0.238 4.110 4.350 -0.003 0.000 0.195 570 E C 1.205 177.828 176.600 0.038 0.000 0.992 570 E CA 1.613 58.026 56.400 0.022 0.000 0.804 570 E CB -0.175 29.536 29.700 0.018 0.000 0.741 570 E HN 0.558 nan 8.360 nan 0.000 0.458 571 D N 0.306 120.727 120.400 0.036 0.000 2.103 571 D HA -0.095 4.543 4.640 -0.003 0.000 0.199 571 D C 1.934 178.271 176.300 0.061 0.000 0.978 571 D CA 0.887 54.914 54.000 0.046 0.000 0.829 571 D CB -0.149 40.672 40.800 0.035 0.000 0.981 571 D HN 0.124 nan 8.370 nan 0.000 0.464 572 K N 0.620 121.050 120.400 0.049 0.000 2.063 572 K HA -0.141 4.177 4.320 -0.003 0.000 0.208 572 K C 2.056 178.712 176.600 0.093 0.000 1.048 572 K CA 1.057 57.377 56.287 0.055 0.000 0.928 572 K CB -0.050 32.462 32.500 0.020 0.000 0.713 572 K HN 0.222 nan 8.250 nan 0.000 0.442 573 E N 0.702 120.950 120.200 0.079 0.000 2.150 573 E HA -0.132 4.216 4.350 -0.003 0.000 0.193 573 E C 2.037 178.722 176.600 0.142 0.000 0.985 573 E CA 0.445 56.910 56.400 0.109 0.000 0.814 573 E CB 0.066 29.797 29.700 0.052 0.000 0.752 573 E HN 0.225 nan 8.360 nan 0.000 0.466 574 L N 0.606 121.910 121.223 0.134 0.000 1.994 574 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 574 L C 2.295 179.313 176.870 0.246 0.000 1.071 574 L CA 0.971 55.937 54.840 0.210 0.000 0.745 574 L CB -0.283 41.885 42.059 0.182 0.000 0.892 574 L HN 0.256 nan 8.230 nan 0.000 0.431 575 L N -0.554 120.768 121.223 0.166 0.000 2.013 575 L HA -0.322 4.016 4.340 -0.003 0.000 0.212 575 L C 2.230 179.152 176.870 0.087 0.000 1.073 575 L CA 1.967 56.877 54.840 0.117 0.000 0.753 575 L CB -1.448 40.660 42.059 0.080 0.000 0.890 575 L HN 0.528 nan 8.230 nan 0.000 0.432 576 W N -0.661 120.598 121.300 -0.067 0.000 2.453 576 W HA -0.183 4.475 4.660 -0.003 0.000 0.289 576 W C 2.556 178.986 176.519 -0.149 0.000 1.215 576 W CA 1.179 58.440 57.345 -0.140 0.000 1.297 576 W CB -0.324 29.052 29.460 -0.139 0.000 1.113 576 W HN 0.356 nan 8.180 nan 0.000 0.551 577 H N -0.664 118.240 119.070 -0.277 0.000 2.423 577 H HA -0.110 4.444 4.556 -0.003 0.000 0.297 577 H C 0.162 175.074 175.328 -0.693 0.000 1.075 577 H CA 1.208 56.928 56.048 -0.547 0.000 1.342 577 H CB -0.524 28.883 29.762 -0.593 0.000 1.395 577 H HN 0.024 nan 8.280 nan 0.000 0.530 578 F N 0.667 120.512 119.950 -0.174 0.000 2.942 578 F HA 0.264 4.789 4.527 -0.003 0.000 0.324 578 F C 1.523 177.176 175.800 -0.245 0.000 1.265 578 F CA -0.570 57.331 58.000 -0.164 0.000 1.255 578 F CB 0.351 39.335 39.000 -0.025 0.000 1.048 578 F HN -0.114 nan 8.300 nan 0.000 0.512 579 R N -0.364 119.905 120.500 -0.386 0.000 2.113 579 R HA -0.240 4.098 4.340 -0.003 0.000 0.244 579 R C 1.300 177.329 176.300 -0.450 0.000 1.142 579 R CA 2.279 58.023 56.100 -0.592 0.000 0.953 579 R CB -0.502 29.117 30.300 -1.134 0.000 0.860 579 R HN 0.439 nan 8.270 nan 0.000 0.438 580 Y N -0.715 119.493 120.300 -0.153 0.000 2.337 580 Y HA -0.104 4.444 4.550 -0.003 0.000 0.293 580 Y C 2.385 178.277 175.900 -0.013 0.000 1.123 580 Y CA 0.963 59.011 58.100 -0.086 0.000 1.201 580 Y CB 0.014 38.422 38.460 -0.087 0.000 1.011 580 Y HN 0.074 nan 8.280 nan 0.000 0.545 581 E N 0.223 120.519 120.200 0.160 0.000 2.106 581 E HA -0.142 4.206 4.350 -0.003 0.000 0.192 581 E C 2.114 178.822 176.600 0.179 0.000 0.984 581 E CA 1.660 58.147 56.400 0.144 0.000 0.806 581 E CB -0.209 29.562 29.700 0.119 0.000 0.750 581 E HN 0.192 nan 8.360 nan 0.000 0.458 582 S N -0.085 115.682 115.700 0.112 0.000 2.423 582 S HA -0.088 4.380 4.470 -0.003 0.000 0.231 582 S C 1.605 176.288 174.600 0.137 0.000 1.014 582 S CA 0.667 58.939 58.200 0.119 0.000 0.965 582 S CB -0.224 62.960 63.200 -0.027 0.000 0.785 582 S HN 0.216 nan 8.310 nan 0.000 0.495 583 L N 1.792 123.041 121.223 0.043 0.000 2.275 583 L HA 0.060 4.398 4.340 -0.003 0.000 0.215 583 L C 1.783 178.830 176.870 0.295 0.000 1.119 583 L CA 1.450 56.353 54.840 0.104 0.000 0.790 583 L CB -0.368 41.709 42.059 0.029 0.000 0.919 583 L HN 0.141 nan 8.230 nan 0.000 0.443 584 K N -1.303 119.186 120.400 0.148 0.000 2.365 584 K HA -0.017 4.301 4.320 -0.003 0.000 0.199 584 K C -0.077 176.419 176.600 -0.173 0.000 1.045 584 K CA 0.525 56.794 56.287 -0.031 0.000 0.962 584 K CB -0.125 32.268 32.500 -0.178 0.000 0.759 584 K HN 0.400 nan 8.250 nan 0.000 0.469 585 H N 0.356 119.553 119.070 0.212 0.000 2.638 585 H HA 0.124 4.678 4.556 -0.003 0.000 0.303 585 H C -2.094 173.416 175.328 0.303 0.000 1.034 585 H CA -2.177 53.984 56.048 0.188 0.000 1.225 585 H CB 1.509 31.352 29.762 0.135 0.000 1.394 585 H HN -0.113 nan 8.280 nan 0.000 0.477 586 P HA -0.185 nan 4.420 nan 0.000 0.216 586 P C 1.550 179.012 177.300 0.270 0.000 1.153 586 P CA 1.316 64.475 63.100 0.097 0.000 0.858 586 P CB 0.432 32.083 31.700 -0.082 0.000 0.789 587 K N -0.656 119.879 120.400 0.225 0.000 2.211 587 K HA -0.060 4.259 4.320 -0.003 0.000 0.204 587 K C 1.933 178.686 176.600 0.254 0.000 1.047 587 K CA 1.359 57.767 56.287 0.201 0.000 0.935 587 K CB -0.570 32.004 32.500 0.124 0.000 0.728 587 K HN 0.103 nan 8.250 nan 0.000 0.452 588 A N 0.392 123.406 122.820 0.325 0.000 2.119 588 A HA -0.126 4.193 4.320 -0.003 0.000 0.217 588 A C 1.537 179.301 177.584 0.300 0.000 1.153 588 A CA 0.759 52.954 52.037 0.263 0.000 0.692 588 A CB -0.438 18.694 19.000 0.220 0.000 0.799 588 A HN 0.182 nan 8.150 nan 0.000 0.458 589 Y N 0.436 120.837 120.300 0.167 0.000 2.097 589 Y HA -0.128 4.420 4.550 -0.003 0.000 0.282 589 Y C -0.179 175.884 175.900 0.272 0.000 1.152 589 Y CA 1.999 60.210 58.100 0.185 0.000 1.136 589 Y CB -1.818 36.728 38.460 0.143 0.000 0.975 589 Y HN 0.287 nan 8.280 nan 0.000 0.498 590 P HA -0.166 nan 4.420 nan 0.000 0.216 590 P C 1.267 178.850 177.300 0.472 0.000 1.150 590 P CA 2.110 65.427 63.100 0.362 0.000 0.837 590 P CB -0.014 31.845 31.700 0.265 0.000 0.786 591 K N -1.145 119.422 120.400 0.279 0.000 2.155 591 K HA -0.042 4.277 4.320 -0.003 0.000 0.203 591 K C 1.919 178.598 176.600 0.132 0.000 1.052 591 K CA 0.809 57.211 56.287 0.191 0.000 0.948 591 K CB -0.824 31.750 32.500 0.124 0.000 0.728 591 K HN 0.131 nan 8.250 nan 0.000 0.448 592 L N 0.398 121.643 121.223 0.038 0.000 2.044 592 L HA 0.003 4.341 4.340 -0.003 0.000 0.205 592 L C 1.744 178.495 176.870 -0.199 0.000 1.075 592 L CA 1.567 56.295 54.840 -0.187 0.000 0.747 592 L CB -0.505 41.243 42.059 -0.518 0.000 0.903 592 L HN -0.027 nan 8.230 nan 0.000 0.435 593 F N -0.934 119.165 119.950 0.248 0.000 2.748 593 F HA 0.006 4.531 4.527 -0.003 0.000 0.299 593 F C 2.350 178.452 175.800 0.504 0.000 1.154 593 F CA 0.720 58.972 58.000 0.419 0.000 1.446 593 F CB -0.453 38.873 39.000 0.544 0.000 1.112 593 F HN 0.026 nan 8.300 nan 0.000 0.584 594 S N -0.870 115.101 115.700 0.451 0.000 2.414 594 S HA -0.105 4.363 4.470 -0.003 0.000 0.227 594 S C 2.030 176.708 174.600 0.130 0.000 1.022 594 S CA 0.962 59.298 58.200 0.226 0.000 0.958 594 S CB -0.199 63.076 63.200 0.125 0.000 0.797 594 S HN 0.228 nan 8.310 nan 0.000 0.493 595 S N 1.168 116.914 115.700 0.077 0.000 2.603 595 S HA 0.090 4.559 4.470 -0.003 0.000 0.229 595 S C 0.581 175.059 174.600 -0.204 0.000 0.972 595 S CA 0.084 58.275 58.200 -0.015 0.000 0.935 595 S CB -0.095 63.133 63.200 0.048 0.000 0.769 595 S HN 0.197 nan 8.310 nan 0.000 0.536 596 V N 2.564 122.312 119.914 -0.277 0.000 2.614 596 V HA 0.118 4.237 4.120 -0.003 0.000 0.291 596 V C 0.370 176.022 176.094 -0.736 0.000 1.049 596 V CA -0.287 61.545 62.300 -0.780 0.000 1.038 596 V CB 0.989 32.134 31.823 -1.130 0.000 0.980 596 V HN 0.215 nan 8.190 nan 0.000 0.481 597 K N 4.855 124.790 120.400 -0.776 0.000 2.171 597 K HA 0.114 4.432 4.320 -0.003 0.000 0.274 597 K C 0.125 176.424 176.600 -0.501 0.000 1.110 597 K CA 0.129 56.121 56.287 -0.491 0.000 0.952 597 K CB 0.175 32.419 32.500 -0.427 0.000 1.309 597 K HN 0.679 nan 8.250 nan 0.000 0.414 598 W N 1.001 122.156 121.300 -0.243 0.000 2.465 598 W HA -0.028 4.630 4.660 -0.003 0.000 0.268 598 W C 1.905 178.234 176.519 -0.315 0.000 1.242 598 W CA 0.240 57.398 57.345 -0.313 0.000 1.248 598 W CB 0.077 29.263 29.460 -0.457 0.000 1.118 598 W HN 0.641 nan 8.180 nan 0.000 0.587 599 G N -0.089 108.669 108.800 -0.070 0.000 2.882 599 G HA2 -0.034 3.924 3.960 -0.003 0.000 0.206 599 G HA3 -0.034 3.924 3.960 -0.003 0.000 0.206 599 G C 0.349 175.186 174.900 -0.104 0.000 1.155 599 G CA -0.047 45.001 45.100 -0.087 0.000 0.800 599 G HN 0.192 nan 8.290 nan 0.000 0.524 600 Q N -1.014 118.699 119.800 -0.147 0.000 2.304 600 Q HA 0.238 4.577 4.340 -0.003 0.000 0.270 600 Q C 0.646 176.557 176.000 -0.149 0.000 1.035 600 Q CA -0.655 55.063 55.803 -0.141 0.000 0.781 600 Q CB 2.075 30.708 28.738 -0.174 0.000 1.261 600 Q HN 0.169 nan 8.270 nan 0.000 0.444 601 Q N 2.364 122.102 119.800 -0.102 0.000 2.020 601 Q HA -0.229 4.109 4.340 -0.003 0.000 0.202 601 Q C 1.183 177.117 176.000 -0.110 0.000 0.982 601 Q CA 2.230 57.977 55.803 -0.093 0.000 0.838 601 Q CB 0.160 28.869 28.738 -0.049 0.000 0.899 601 Q HN 0.749 nan 8.270 nan 0.000 0.423 602 E N -0.413 119.736 120.200 -0.085 0.000 2.070 602 E HA -0.197 4.151 4.350 -0.003 0.000 0.197 602 E C 1.948 178.500 176.600 -0.080 0.000 1.004 602 E CA 1.574 57.937 56.400 -0.063 0.000 0.805 602 E CB -0.197 29.481 29.700 -0.037 0.000 0.744 602 E HN 0.496 nan 8.360 nan 0.000 0.451 603 I N -0.275 120.205 120.570 -0.150 0.000 2.353 603 I HA -0.223 3.945 4.170 -0.003 0.000 0.248 603 I C 2.100 178.040 176.117 -0.296 0.000 1.119 603 I CA 0.435 61.602 61.300 -0.223 0.000 1.417 603 I CB 0.129 37.853 38.000 -0.459 0.000 1.078 603 I HN 0.026 nan 8.210 nan 0.000 0.421 604 V N 0.771 120.474 119.914 -0.351 0.000 2.407 604 V HA -0.296 3.822 4.120 -0.003 0.000 0.248 604 V C 2.623 178.444 176.094 -0.454 0.000 1.055 604 V CA 1.928 63.963 62.300 -0.441 0.000 1.049 604 V CB -0.981 30.634 31.823 -0.348 0.000 0.662 604 V HN 0.499 nan 8.190 nan 0.000 0.455 605 A N -0.490 122.158 122.820 -0.287 0.000 1.898 605 A HA -0.196 4.122 4.320 -0.003 0.000 0.216 605 A C 2.303 179.886 177.584 -0.002 0.000 1.181 605 A CA 1.640 53.578 52.037 -0.165 0.000 0.620 605 A CB -0.383 18.577 19.000 -0.067 0.000 0.819 605 A HN 0.499 nan 8.150 nan 0.000 0.442 606 K N -0.718 119.704 120.400 0.036 0.000 2.148 606 K HA -0.085 4.233 4.320 -0.003 0.000 0.204 606 K C 1.922 178.623 176.600 0.169 0.000 1.050 606 K CA 1.614 57.977 56.287 0.127 0.000 0.942 606 K CB -0.335 32.294 32.500 0.215 0.000 0.724 606 K HN 0.499 nan 8.250 nan 0.000 0.446 607 T N 0.437 115.096 114.554 0.175 0.000 2.867 607 T HA -0.108 4.240 4.350 -0.003 0.000 0.268 607 T C 1.631 176.574 174.700 0.406 0.000 1.057 607 T CA 1.027 63.275 62.100 0.246 0.000 1.136 607 T CB -0.228 68.682 68.868 0.070 0.000 0.874 607 T HN 0.333 nan 8.240 nan 0.000 0.466 608 Y N 1.298 121.673 120.300 0.126 0.000 2.337 608 Y HA -0.057 4.491 4.550 -0.003 0.000 0.293 608 Y C 2.911 178.870 175.900 0.098 0.000 1.123 608 Y CA 0.148 58.319 58.100 0.117 0.000 1.201 608 Y CB -0.110 38.416 38.460 0.110 0.000 1.011 608 Y HN 0.255 nan 8.280 nan 0.000 0.545 609 Q N 0.247 120.199 119.800 0.253 0.000 2.124 609 Q HA -0.196 4.142 4.340 -0.003 0.000 0.202 609 Q C 2.298 178.398 176.000 0.166 0.000 0.977 609 Q CA 1.072 56.981 55.803 0.177 0.000 0.850 609 Q CB -0.020 28.806 28.738 0.148 0.000 0.901 609 Q HN 0.532 nan 8.270 nan 0.000 0.429 610 L N 0.285 121.593 121.223 0.142 0.000 2.005 610 L HA -0.181 4.157 4.340 -0.003 0.000 0.207 610 L C 2.170 179.115 176.870 0.124 0.000 1.072 610 L CA 1.215 56.096 54.840 0.068 0.000 0.744 610 L CB -0.334 41.700 42.059 -0.043 0.000 0.895 610 L HN 0.324 nan 8.230 nan 0.000 0.433 611 L N -0.544 120.779 121.223 0.167 0.000 2.353 611 L HA -0.159 4.179 4.340 -0.003 0.000 0.220 611 L C 2.599 179.524 176.870 0.092 0.000 1.133 611 L CA 0.695 55.604 54.840 0.115 0.000 0.798 611 L CB -0.573 41.515 42.059 0.049 0.000 0.922 611 L HN 0.250 nan 8.230 nan 0.000 0.445 612 A N 0.700 123.584 122.820 0.108 0.000 2.016 612 A HA -0.074 4.244 4.320 -0.003 0.000 0.217 612 A C 1.449 179.095 177.584 0.103 0.000 1.162 612 A CA 0.406 52.498 52.037 0.092 0.000 0.662 612 A CB -0.199 18.858 19.000 0.095 0.000 0.812 612 A HN 0.467 nan 8.150 nan 0.000 0.450 613 R N -0.274 120.302 120.500 0.126 0.000 2.937 613 R HA 0.420 4.758 4.340 -0.003 0.000 0.264 613 R C -0.329 176.068 176.300 0.163 0.000 1.334 613 R CA -0.389 55.789 56.100 0.130 0.000 1.516 613 R CB 0.086 30.464 30.300 0.131 0.000 1.187 613 R HN 0.173 nan 8.270 nan 0.000 0.609 614 R N 1.617 122.219 120.500 0.169 0.000 2.831 614 R HA 0.074 4.412 4.340 -0.003 0.000 0.337 614 R C 0.098 176.542 176.300 0.240 0.000 1.200 614 R CA -0.063 56.181 56.100 0.241 0.000 1.088 614 R CB 0.357 30.793 30.300 0.227 0.000 1.397 614 R HN 0.621 nan 8.270 nan 0.000 0.581 615 E N -0.448 119.859 120.200 0.177 0.000 2.051 615 E HA -0.176 4.172 4.350 -0.003 0.000 0.192 615 E C 1.639 178.319 176.600 0.132 0.000 0.991 615 E CA 1.338 57.815 56.400 0.129 0.000 0.799 615 E CB 0.146 29.899 29.700 0.090 0.000 0.748 615 E HN 0.086 nan 8.360 nan 0.000 0.449 616 V N 1.064 121.076 119.914 0.163 0.000 2.427 616 V HA -0.202 3.916 4.120 -0.003 0.000 0.248 616 V C 1.892 178.058 176.094 0.119 0.000 1.051 616 V CA 1.358 63.732 62.300 0.123 0.000 1.048 616 V CB -0.557 31.344 31.823 0.129 0.000 0.666 616 V HN 0.520 nan 8.190 nan 0.000 0.456 617 W N 1.339 122.636 121.300 -0.004 0.000 2.354 617 W HA -0.190 4.468 4.660 -0.003 0.000 0.315 617 W C 2.089 178.562 176.519 -0.077 0.000 1.206 617 W CA 2.050 59.323 57.345 -0.119 0.000 1.290 617 W CB -0.313 29.099 29.460 -0.080 0.000 1.152 617 W HN 0.341 nan 8.180 nan 0.000 0.489 618 D N 0.203 120.675 120.400 0.119 0.000 2.149 618 D HA -0.223 4.415 4.640 -0.003 0.000 0.198 618 D C 2.043 178.294 176.300 -0.081 0.000 0.990 618 D CA 1.707 55.715 54.000 0.013 0.000 0.839 618 D CB -0.596 40.264 40.800 0.099 0.000 0.948 618 D HN 0.323 nan 8.370 nan 0.000 0.460 619 Q N 0.174 119.941 119.800 -0.055 0.000 2.389 619 Q HA 0.035 4.373 4.340 -0.003 0.000 0.204 619 Q C 0.533 176.458 176.000 -0.125 0.000 0.944 619 Q CA 0.052 55.813 55.803 -0.069 0.000 0.908 619 Q CB 0.267 28.987 28.738 -0.030 0.000 1.002 619 Q HN 0.198 nan 8.270 nan 0.000 0.493 620 S N -0.093 115.487 115.700 -0.200 0.000 2.579 620 S HA 0.417 4.885 4.470 -0.003 0.000 0.275 620 S C 0.217 174.661 174.600 -0.260 0.000 1.345 620 S CA -0.538 57.517 58.200 -0.242 0.000 1.031 620 S CB 1.091 64.081 63.200 -0.351 0.000 0.892 620 S HN 0.246 nan 8.310 nan 0.000 0.529 621 A N 2.093 124.791 122.820 -0.204 0.000 2.407 621 A HA 0.474 4.792 4.320 -0.003 0.000 0.248 621 A C 0.166 177.611 177.584 -0.231 0.000 1.082 621 A CA -0.683 51.248 52.037 -0.176 0.000 0.785 621 A CB -0.121 18.806 19.000 -0.121 0.000 1.020 621 A HN 1.122 nan 8.150 nan 0.000 0.489 622 L N 1.559 122.662 121.223 -0.199 0.000 2.490 622 L HA 0.245 4.583 4.340 -0.003 0.000 0.274 622 L C -0.298 176.462 176.870 -0.183 0.000 1.201 622 L CA 0.662 55.372 54.840 -0.217 0.000 0.869 622 L CB 0.316 42.288 42.059 -0.145 0.000 1.123 622 L HN 0.656 nan 8.230 nan 0.000 0.484 623 D N 3.683 123.956 120.400 -0.212 0.000 2.505 623 D HA 0.179 4.817 4.640 -0.003 0.000 0.250 623 D C 0.683 176.895 176.300 -0.147 0.000 1.164 623 D CA -0.358 53.552 54.000 -0.149 0.000 0.870 623 D CB 1.760 42.475 40.800 -0.142 0.000 1.160 623 D HN 0.423 nan 8.370 nan 0.000 0.549 624 V N 3.573 123.393 119.914 -0.157 0.000 2.427 624 V HA -0.053 4.066 4.120 -0.003 0.000 0.248 624 V C 2.438 178.413 176.094 -0.198 0.000 1.051 624 V CA 2.072 64.213 62.300 -0.265 0.000 1.048 624 V CB -0.368 31.140 31.823 -0.526 0.000 0.666 624 V HN 0.684 nan 8.190 nan 0.000 0.456 625 G N -0.404 108.330 108.800 -0.111 0.000 2.446 625 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.217 625 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.217 625 G C 1.633 176.517 174.900 -0.027 0.000 1.168 625 G CA 0.938 46.008 45.100 -0.050 0.000 0.771 625 G HN 0.414 nan 8.290 nan 0.000 0.551 626 L N 0.460 121.671 121.223 -0.020 0.000 2.046 626 L HA -0.101 4.238 4.340 -0.003 0.000 0.208 626 L C 3.017 179.915 176.870 0.047 0.000 1.077 626 L CA 2.013 56.872 54.840 0.033 0.000 0.747 626 L CB -0.515 41.560 42.059 0.028 0.000 0.896 626 L HN 0.254 nan 8.230 nan 0.000 0.432 627 T N -0.374 114.175 114.554 -0.007 0.000 2.770 627 T HA -0.158 4.190 4.350 -0.003 0.000 0.263 627 T C 1.989 176.665 174.700 -0.040 0.000 1.039 627 T CA 1.096 63.197 62.100 0.002 0.000 1.142 627 T CB -0.085 68.738 68.868 -0.074 0.000 0.868 627 T HN 0.155 nan 8.240 nan 0.000 0.435 628 M N 1.569 121.128 119.600 -0.068 0.000 2.108 628 M HA -0.181 4.297 4.480 -0.003 0.000 0.257 628 M C 2.255 178.546 176.300 -0.015 0.000 1.071 628 M CA 1.606 56.881 55.300 -0.042 0.000 1.093 628 M CB -1.326 31.247 32.600 -0.045 0.000 1.345 628 M HN 0.370 nan 8.290 nan 0.000 0.403 629 Q N -0.267 119.526 119.800 -0.011 0.000 2.170 629 Q HA -0.099 4.239 4.340 -0.003 0.000 0.203 629 Q C 2.053 178.006 176.000 -0.079 0.000 0.976 629 Q CA 1.016 56.829 55.803 0.016 0.000 0.858 629 Q CB -0.189 28.578 28.738 0.050 0.000 0.907 629 Q HN 0.522 nan 8.270 nan 0.000 0.433 630 L N -0.011 121.062 121.223 -0.250 0.000 2.478 630 L HA -0.050 4.288 4.340 -0.003 0.000 0.223 630 L C 1.582 178.316 176.870 -0.226 0.000 1.140 630 L CA 0.352 54.852 54.840 -0.567 0.000 0.842 630 L CB 0.002 41.785 42.059 -0.461 0.000 0.953 630 L HN 0.217 nan 8.230 nan 0.000 0.452 631 L N -0.350 120.835 121.223 -0.063 0.000 2.607 631 L HA 0.066 4.404 4.340 -0.003 0.000 0.228 631 L C 0.772 177.694 176.870 0.087 0.000 1.123 631 L CA -0.432 54.430 54.840 0.035 0.000 0.890 631 L CB -0.478 41.610 42.059 0.049 0.000 1.103 631 L HN 0.308 nan 8.230 nan 0.000 0.468 632 D N -0.495 119.903 120.400 -0.003 0.000 2.398 632 D HA -0.065 4.573 4.640 -0.003 0.000 0.264 632 D C 1.494 177.439 176.300 -0.593 0.000 1.263 632 D CA -0.222 53.553 54.000 -0.377 0.000 1.037 632 D CB 0.415 41.059 40.800 -0.259 0.000 1.101 632 D HN 0.154 nan 8.370 nan 0.000 0.551 633 C N -1.338 117.269 119.300 -1.155 0.000 2.437 633 C HA 0.058 4.516 4.460 -0.003 0.000 0.283 633 C C 1.573 176.342 174.990 -0.368 0.000 1.424 633 C CA 0.092 58.675 59.018 -0.725 0.000 1.782 633 C CB -1.913 25.452 27.740 -0.624 0.000 1.833 633 C HN 0.534 nan 8.230 nan 0.000 0.532 634 N N -0.507 117.979 118.700 -0.358 0.000 2.521 634 N HA 0.175 4.914 4.740 -0.003 0.000 0.188 634 N C -0.647 174.352 175.510 -0.850 0.000 1.146 634 N CA 0.556 53.285 53.050 -0.535 0.000 0.893 634 N CB -0.044 38.069 38.487 -0.623 0.000 0.975 634 N HN 0.576 nan 8.380 nan 0.000 0.451 635 F N -0.836 118.982 119.950 -0.220 0.000 2.577 635 F HA 0.329 4.854 4.527 -0.003 0.000 0.344 635 F C 0.337 175.934 175.800 -0.338 0.000 1.145 635 F CA -0.800 57.047 58.000 -0.254 0.000 0.996 635 F CB 1.844 40.751 39.000 -0.155 0.000 1.248 635 F HN -0.173 nan 8.300 nan 0.000 0.447 636 S N 0.244 115.670 115.700 -0.456 0.000 2.559 636 S HA 0.023 4.491 4.470 -0.003 0.000 0.226 636 S C -0.176 174.185 174.600 -0.399 0.000 1.000 636 S CA -0.362 57.530 58.200 -0.514 0.000 0.948 636 S CB -0.177 62.474 63.200 -0.916 0.000 0.870 636 S HN 0.631 nan 8.310 nan 0.000 0.497 637 D N 2.245 122.428 120.400 -0.362 0.000 2.277 637 D HA 0.109 4.747 4.640 -0.003 0.000 0.249 637 D C 1.256 177.527 176.300 -0.048 0.000 1.134 637 D CA -0.204 53.693 54.000 -0.173 0.000 0.863 637 D CB 0.781 41.396 40.800 -0.309 0.000 1.143 637 D HN 0.250 nan 8.370 nan 0.000 0.458 638 E N 3.364 123.581 120.200 0.029 0.000 2.204 638 E HA -0.252 4.096 4.350 -0.003 0.000 0.194 638 E C 0.549 177.132 176.600 -0.029 0.000 0.989 638 E CA 0.858 57.268 56.400 0.017 0.000 0.824 638 E CB 0.079 29.801 29.700 0.036 0.000 0.756 638 E HN 0.402 nan 8.360 nan 0.000 0.477 639 N N 0.832 119.497 118.700 -0.057 0.000 2.207 639 N HA -0.079 4.659 4.740 -0.003 0.000 0.182 639 N C 2.062 177.464 175.510 -0.180 0.000 1.020 639 N CA 1.146 54.104 53.050 -0.153 0.000 0.858 639 N CB -0.247 38.029 38.487 -0.351 0.000 0.991 639 N HN 0.057 nan 8.380 nan 0.000 0.427 640 V N 2.117 121.925 119.914 -0.177 0.000 2.252 640 V HA -0.249 3.869 4.120 -0.003 0.000 0.249 640 V C 2.306 178.232 176.094 -0.280 0.000 1.056 640 V CA 1.708 63.798 62.300 -0.351 0.000 1.022 640 V CB -0.438 31.210 31.823 -0.291 0.000 0.641 640 V HN 0.294 nan 8.190 nan 0.000 0.445 641 R N -0.058 120.345 120.500 -0.163 0.000 2.152 641 R HA -0.065 4.273 4.340 -0.003 0.000 0.232 641 R C 2.314 178.564 176.300 -0.083 0.000 1.117 641 R CA 1.254 57.287 56.100 -0.112 0.000 0.981 641 R CB -0.494 29.779 30.300 -0.046 0.000 0.870 641 R HN 0.563 nan 8.270 nan 0.000 0.451 642 A N 1.750 124.524 122.820 -0.077 0.000 1.968 642 A HA -0.094 4.225 4.320 -0.003 0.000 0.217 642 A C 2.179 179.746 177.584 -0.029 0.000 1.169 642 A CA 1.015 53.027 52.037 -0.042 0.000 0.638 642 A CB -0.468 18.512 19.000 -0.032 0.000 0.812 642 A HN 0.434 nan 8.150 nan 0.000 0.446 643 I N -2.982 117.544 120.570 -0.074 0.000 2.493 643 I HA 0.013 4.182 4.170 -0.003 0.000 0.254 643 I C 2.242 178.475 176.117 0.193 0.000 1.160 643 I CA 1.251 62.559 61.300 0.013 0.000 1.445 643 I CB -0.337 37.505 38.000 -0.263 0.000 1.086 643 I HN 0.140 nan 8.210 nan 0.000 0.433 644 A N 1.483 124.334 122.820 0.053 0.000 1.872 644 A HA -0.015 4.303 4.320 -0.003 0.000 0.214 644 A C 2.379 179.956 177.584 -0.013 0.000 1.187 644 A CA 1.714 53.806 52.037 0.091 0.000 0.614 644 A CB -1.070 17.916 19.000 -0.023 0.000 0.826 644 A HN 0.291 nan 8.150 nan 0.000 0.442 645 V N 0.796 120.667 119.914 -0.070 0.000 2.469 645 V HA -0.335 3.783 4.120 -0.003 0.000 0.251 645 V C 2.737 178.731 176.094 -0.166 0.000 1.064 645 V CA 2.295 64.487 62.300 -0.180 0.000 1.066 645 V CB -0.893 30.859 31.823 -0.118 0.000 0.667 645 V HN 0.808 nan 8.190 nan 0.000 0.461 646 Q N 0.241 120.025 119.800 -0.027 0.000 2.061 646 Q HA -0.330 4.008 4.340 -0.003 0.000 0.204 646 Q C 2.272 178.259 176.000 -0.020 0.000 0.984 646 Q CA 2.165 57.979 55.803 0.018 0.000 0.846 646 Q CB -0.100 28.699 28.738 0.102 0.000 0.902 646 Q HN 0.443 nan 8.270 nan 0.000 0.421 647 K N 0.496 120.880 120.400 -0.027 0.000 2.097 647 K HA -0.064 4.255 4.320 -0.003 0.000 0.206 647 K C 2.015 178.535 176.600 -0.133 0.000 1.049 647 K CA 1.150 57.367 56.287 -0.115 0.000 0.933 647 K CB -0.288 32.110 32.500 -0.170 0.000 0.717 647 K HN 0.291 nan 8.250 nan 0.000 0.442 648 L N 0.863 121.959 121.223 -0.213 0.000 2.131 648 L HA -0.165 4.174 4.340 -0.003 0.000 0.210 648 L C 1.867 178.667 176.870 -0.116 0.000 1.092 648 L CA 1.051 55.712 54.840 -0.298 0.000 0.759 648 L CB -0.468 41.147 42.059 -0.740 0.000 0.903 648 L HN 0.225 nan 8.230 nan 0.000 0.435 649 E N 0.019 120.187 120.200 -0.052 0.000 2.331 649 E HA -0.209 4.140 4.350 -0.003 0.000 0.199 649 E C 2.197 178.900 176.600 0.171 0.000 1.008 649 E CA 1.537 58.072 56.400 0.224 0.000 0.843 649 E CB -0.133 29.664 29.700 0.162 0.000 0.761 649 E HN 0.550 nan 8.360 nan 0.000 0.507 650 S N 0.021 115.769 115.700 0.079 0.000 2.548 650 S HA 0.050 4.518 4.470 -0.003 0.000 0.215 650 S C 0.979 175.625 174.600 0.077 0.000 0.976 650 S CA -0.318 57.916 58.200 0.056 0.000 0.908 650 S CB -0.148 63.051 63.200 -0.002 0.000 0.781 650 S HN 0.039 nan 8.310 nan 0.000 0.519 651 L N 2.995 124.290 121.223 0.119 0.000 2.456 651 L HA 0.235 4.573 4.340 -0.003 0.000 0.272 651 L C 0.751 177.717 176.870 0.159 0.000 1.189 651 L CA -0.309 54.621 54.840 0.150 0.000 0.846 651 L CB 0.400 42.593 42.059 0.223 0.000 1.111 651 L HN 0.489 nan 8.230 nan 0.000 0.475 652 E N 1.325 121.609 120.200 0.140 0.000 2.312 652 E HA 0.118 4.466 4.350 -0.003 0.000 0.259 652 E C -0.385 176.313 176.600 0.163 0.000 1.122 652 E CA -0.869 55.610 56.400 0.132 0.000 0.922 652 E CB 0.888 30.652 29.700 0.106 0.000 1.109 652 E HN 0.446 nan 8.360 nan 0.000 0.442 653 D N 0.561 121.052 120.400 0.151 0.000 2.178 653 D HA -0.176 4.463 4.640 -0.003 0.000 0.201 653 D C 1.260 177.682 176.300 0.203 0.000 0.980 653 D CA 1.295 55.387 54.000 0.154 0.000 0.842 653 D CB -0.290 40.591 40.800 0.134 0.000 0.948 653 D HN 0.588 nan 8.370 nan 0.000 0.472 654 D N 0.698 121.252 120.400 0.257 0.000 2.104 654 D HA -0.155 4.483 4.640 -0.003 0.000 0.194 654 D C 1.333 177.867 176.300 0.390 0.000 0.994 654 D CA 1.167 55.373 54.000 0.344 0.000 0.830 654 D CB 0.056 41.023 40.800 0.278 0.000 0.959 654 D HN 0.007 nan 8.370 nan 0.000 0.452 655 D N -0.781 119.805 120.400 0.310 0.000 2.213 655 D HA -0.048 4.590 4.640 -0.003 0.000 0.205 655 D C 2.301 178.814 176.300 0.354 0.000 0.961 655 D CA 0.275 54.470 54.000 0.326 0.000 0.853 655 D CB 0.053 41.022 40.800 0.282 0.000 0.967 655 D HN 0.151 nan 8.370 nan 0.000 0.496 656 V N 1.383 121.474 119.914 0.296 0.000 2.287 656 V HA -0.230 3.888 4.120 -0.003 0.000 0.248 656 V C 2.664 178.883 176.094 0.208 0.000 1.053 656 V CA 1.208 63.679 62.300 0.285 0.000 1.027 656 V CB -0.529 31.418 31.823 0.207 0.000 0.646 656 V HN 0.172 nan 8.190 nan 0.000 0.447 657 L N -0.858 120.438 121.223 0.122 0.000 2.127 657 L HA -0.223 4.115 4.340 -0.003 0.000 0.211 657 L C 2.469 179.295 176.870 -0.072 0.000 1.089 657 L CA 1.684 56.527 54.840 0.005 0.000 0.757 657 L CB -0.748 41.261 42.059 -0.083 0.000 0.899 657 L HN 0.409 nan 8.230 nan 0.000 0.434 658 H N -2.062 116.941 119.070 -0.111 0.000 2.421 658 H HA -0.138 4.416 4.556 -0.003 0.000 0.298 658 H C 1.073 176.116 175.328 -0.474 0.000 1.087 658 H CA 1.786 57.611 56.048 -0.373 0.000 1.330 658 H CB 0.116 29.498 29.762 -0.633 0.000 1.388 658 H HN 0.338 nan 8.280 nan 0.000 0.526 659 Y N -1.577 118.821 120.300 0.164 0.000 2.481 659 Y HA 0.082 4.630 4.550 -0.003 0.000 0.247 659 Y C 1.580 177.545 175.900 0.107 0.000 1.151 659 Y CA -0.430 57.736 58.100 0.109 0.000 1.238 659 Y CB 0.527 39.052 38.460 0.108 0.000 1.179 659 Y HN 0.085 nan 8.280 nan 0.000 0.524 660 L N 0.240 121.604 121.223 0.235 0.000 2.012 660 L HA -0.209 4.129 4.340 -0.003 0.000 0.210 660 L C 2.163 179.176 176.870 0.239 0.000 1.073 660 L CA 1.624 56.624 54.840 0.267 0.000 0.748 660 L CB -0.628 41.605 42.059 0.289 0.000 0.891 660 L HN 0.316 nan 8.230 nan 0.000 0.431 661 L N -0.650 120.632 121.223 0.098 0.000 2.012 661 L HA -0.247 4.091 4.340 -0.003 0.000 0.210 661 L C 2.481 179.262 176.870 -0.149 0.000 1.073 661 L CA 1.890 56.539 54.840 -0.318 0.000 0.748 661 L CB -0.778 40.860 42.059 -0.702 0.000 0.891 661 L HN 0.397 nan 8.230 nan 0.000 0.431 662 Q N -1.022 118.758 119.800 -0.033 0.000 2.224 662 Q HA -0.077 4.262 4.340 -0.003 0.000 0.203 662 Q C 2.145 178.183 176.000 0.063 0.000 0.970 662 Q CA 1.453 57.267 55.803 0.019 0.000 0.865 662 Q CB -0.142 28.648 28.738 0.086 0.000 0.922 662 Q HN 0.568 nan 8.270 nan 0.000 0.445 663 L N -1.236 120.056 121.223 0.115 0.000 2.156 663 L HA -0.099 4.239 4.340 -0.003 0.000 0.208 663 L C 2.000 178.939 176.870 0.116 0.000 1.095 663 L CA 0.390 55.311 54.840 0.135 0.000 0.770 663 L CB -0.197 41.987 42.059 0.209 0.000 0.914 663 L HN 0.093 nan 8.230 nan 0.000 0.439 664 V N -0.603 119.364 119.914 0.088 0.000 2.379 664 V HA -0.220 3.899 4.120 -0.003 0.000 0.245 664 V C 2.513 178.617 176.094 0.016 0.000 1.044 664 V CA 1.335 63.670 62.300 0.058 0.000 1.036 664 V CB -0.379 31.449 31.823 0.009 0.000 0.664 664 V HN 0.456 nan 8.190 nan 0.000 0.453 665 Q N 0.075 119.832 119.800 -0.071 0.000 2.170 665 Q HA -0.083 4.256 4.340 -0.003 0.000 0.203 665 Q C 2.314 178.187 176.000 -0.212 0.000 0.976 665 Q CA 1.688 57.410 55.803 -0.135 0.000 0.858 665 Q CB -0.679 27.961 28.738 -0.163 0.000 0.907 665 Q HN 0.646 nan 8.270 nan 0.000 0.433 666 A N 0.346 123.121 122.820 -0.076 0.000 2.172 666 A HA -0.032 4.286 4.320 -0.003 0.000 0.216 666 A C 2.269 179.818 177.584 -0.058 0.000 1.154 666 A CA 0.600 52.627 52.037 -0.016 0.000 0.701 666 A CB -0.318 18.777 19.000 0.158 0.000 0.789 666 A HN 0.183 nan 8.150 nan 0.000 0.465 667 V N 0.131 120.021 119.914 -0.040 0.000 2.720 667 V HA -0.246 3.873 4.120 -0.003 0.000 0.256 667 V C 2.245 178.150 176.094 -0.314 0.000 1.082 667 V CA 2.097 64.361 62.300 -0.061 0.000 1.101 667 V CB -0.612 31.267 31.823 0.094 0.000 0.693 667 V HN 0.574 nan 8.190 nan 0.000 0.479 668 K N -0.449 119.599 120.400 -0.587 0.000 2.280 668 K HA -0.091 4.228 4.320 -0.003 0.000 0.202 668 K C 1.675 177.911 176.600 -0.606 0.000 1.047 668 K CA 1.424 57.080 56.287 -1.052 0.000 0.942 668 K CB -0.196 31.537 32.500 -1.279 0.000 0.739 668 K HN 0.508 nan 8.250 nan 0.000 0.457 669 F N 1.234 121.085 119.950 -0.165 0.000 2.776 669 F HA 0.074 4.599 4.527 -0.003 0.000 0.300 669 F C 0.653 176.408 175.800 -0.075 0.000 1.116 669 F CA -0.455 57.492 58.000 -0.088 0.000 1.375 669 F CB 0.353 39.317 39.000 -0.059 0.000 1.109 669 F HN -0.189 nan 8.300 nan 0.000 0.585 670 E N 2.872 123.111 120.200 0.064 0.000 2.324 670 E HA 0.013 4.361 4.350 -0.003 0.000 0.271 670 E C -1.442 175.142 176.600 -0.027 0.000 1.028 670 E CA -1.349 55.072 56.400 0.036 0.000 0.890 670 E CB 0.650 30.376 29.700 0.043 0.000 1.004 670 E HN 0.073 nan 8.360 nan 0.000 0.431 671 P HA -0.148 nan 4.420 nan 0.000 0.217 671 P C -0.116 176.857 177.300 -0.545 0.000 1.150 671 P CA 1.417 64.322 63.100 -0.326 0.000 0.832 671 P CB 0.160 31.621 31.700 -0.399 0.000 0.787 672 Y N -1.925 118.315 120.300 -0.100 0.000 2.446 672 Y HA 0.268 4.817 4.550 -0.003 0.000 0.338 672 Y C 2.229 178.086 175.900 -0.070 0.000 1.055 672 Y CA -0.742 57.269 58.100 -0.148 0.000 1.101 672 Y CB 0.655 39.063 38.460 -0.086 0.000 1.221 672 Y HN -0.130 nan 8.280 nan 0.000 0.460 673 H N -0.573 118.571 119.070 0.124 0.000 2.352 673 H HA -0.122 4.433 4.556 -0.003 0.000 0.299 673 H C 0.089 175.473 175.328 0.094 0.000 1.097 673 H CA 1.320 57.403 56.048 0.059 0.000 1.311 673 H CB -0.015 29.761 29.762 0.025 0.000 1.377 673 H HN 0.549 nan 8.280 nan 0.000 0.504 674 D N 1.238 121.796 120.400 0.264 0.000 2.277 674 D HA 0.196 4.834 4.640 -0.003 0.000 0.249 674 D C -0.336 176.070 176.300 0.178 0.000 1.134 674 D CA -0.044 54.080 54.000 0.207 0.000 0.863 674 D CB 0.668 41.608 40.800 0.234 0.000 1.143 674 D HN 0.275 nan 8.370 nan 0.000 0.458 675 S N 1.263 117.051 115.700 0.147 0.000 2.570 675 S HA 0.612 5.080 4.470 -0.003 0.000 0.270 675 S C 0.840 175.511 174.600 0.119 0.000 1.149 675 S CA -0.414 57.862 58.200 0.127 0.000 0.837 675 S CB 1.351 64.624 63.200 0.122 0.000 1.124 675 S HN 0.300 nan 8.310 nan 0.000 0.465 676 A N 0.560 123.441 122.820 0.101 0.000 1.986 676 A HA -0.058 4.260 4.320 -0.003 0.000 0.220 676 A C 1.911 179.581 177.584 0.143 0.000 1.171 676 A CA 1.876 53.976 52.037 0.105 0.000 0.640 676 A CB -0.839 18.201 19.000 0.066 0.000 0.811 676 A HN 0.925 nan 8.150 nan 0.000 0.451 677 L N -0.465 120.835 121.223 0.127 0.000 2.023 677 L HA 0.064 4.403 4.340 -0.003 0.000 0.205 677 L C 2.715 179.719 176.870 0.224 0.000 1.073 677 L CA 2.171 57.110 54.840 0.166 0.000 0.745 677 L CB -1.032 41.096 42.059 0.116 0.000 0.900 677 L HN 0.317 nan 8.230 nan 0.000 0.435 678 A N -0.374 122.547 122.820 0.169 0.000 1.948 678 A HA -0.266 4.053 4.320 -0.003 0.000 0.220 678 A C 2.452 180.129 177.584 0.155 0.000 1.177 678 A CA 2.112 54.244 52.037 0.159 0.000 0.636 678 A CB -0.613 18.466 19.000 0.132 0.000 0.815 678 A HN 0.531 nan 8.150 nan 0.000 0.449 679 R N -2.293 118.303 120.500 0.160 0.000 2.115 679 R HA -0.005 4.333 4.340 -0.003 0.000 0.226 679 R C 1.960 178.356 176.300 0.159 0.000 1.100 679 R CA 1.237 57.421 56.100 0.140 0.000 0.980 679 R CB -0.363 30.015 30.300 0.131 0.000 0.875 679 R HN 0.653 nan 8.270 nan 0.000 0.445 680 F N 1.399 121.390 119.950 0.068 0.000 2.146 680 F HA -0.118 4.407 4.527 -0.003 0.000 0.298 680 F C 1.647 177.489 175.800 0.070 0.000 1.096 680 F CA 1.322 59.362 58.000 0.066 0.000 1.275 680 F CB -0.095 38.944 39.000 0.064 0.000 1.008 680 F HN -0.122 nan 8.300 nan 0.000 0.480 681 L N -0.174 121.070 121.223 0.036 0.000 2.056 681 L HA -0.207 4.131 4.340 -0.003 0.000 0.207 681 L C 2.631 179.448 176.870 -0.088 0.000 1.078 681 L CA 0.912 55.709 54.840 -0.071 0.000 0.749 681 L CB -0.925 41.185 42.059 0.085 0.000 0.901 681 L HN 0.258 nan 8.230 nan 0.000 0.433 682 L N 0.457 121.683 121.223 0.004 0.000 2.013 682 L HA -0.303 4.035 4.340 -0.003 0.000 0.212 682 L C 2.774 179.659 176.870 0.026 0.000 1.073 682 L CA 1.928 56.798 54.840 0.050 0.000 0.753 682 L CB -0.314 41.793 42.059 0.081 0.000 0.890 682 L HN 0.363 nan 8.230 nan 0.000 0.432 683 K N -0.753 119.625 120.400 -0.037 0.000 2.031 683 K HA -0.177 4.141 4.320 -0.003 0.000 0.205 683 K C 2.173 178.710 176.600 -0.105 0.000 1.049 683 K CA 0.842 57.096 56.287 -0.054 0.000 0.939 683 K CB 0.052 32.523 32.500 -0.048 0.000 0.717 683 K HN 0.156 nan 8.250 nan 0.000 0.438 684 R N 0.046 120.395 120.500 -0.253 0.000 2.115 684 R HA -0.028 4.310 4.340 -0.003 0.000 0.230 684 R C 2.317 178.561 176.300 -0.093 0.000 1.111 684 R CA 1.295 57.251 56.100 -0.240 0.000 0.976 684 R CB -1.048 28.966 30.300 -0.477 0.000 0.870 684 R HN 0.447 nan 8.270 nan 0.000 0.445 685 G N 0.780 109.533 108.800 -0.078 0.000 2.402 685 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.216 685 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.216 685 G C 1.550 176.565 174.900 0.191 0.000 1.162 685 G CA 0.172 45.249 45.100 -0.038 0.000 0.777 685 G HN 0.210 nan 8.290 nan 0.000 0.539 686 L N -0.190 121.169 121.223 0.227 0.000 2.201 686 L HA 0.085 4.423 4.340 -0.003 0.000 0.212 686 L C 2.793 179.715 176.870 0.086 0.000 1.105 686 L CA 0.694 55.664 54.840 0.217 0.000 0.775 686 L CB -0.221 41.890 42.059 0.087 0.000 0.913 686 L HN 0.164 nan 8.230 nan 0.000 0.440 687 R N 0.178 120.718 120.500 0.066 0.000 2.236 687 R HA -0.026 4.312 4.340 -0.003 0.000 0.208 687 R C 0.370 176.787 176.300 0.195 0.000 1.036 687 R CA 0.459 56.591 56.100 0.054 0.000 1.001 687 R CB 0.278 30.590 30.300 0.020 0.000 0.896 687 R HN 0.225 nan 8.270 nan 0.000 0.464 688 N N 0.501 119.339 118.700 0.230 0.000 2.533 688 N HA 0.073 4.811 4.740 -0.003 0.000 0.289 688 N C -0.391 175.221 175.510 0.169 0.000 1.103 688 N CA -0.236 52.939 53.050 0.208 0.000 0.877 688 N CB 1.684 40.236 38.487 0.107 0.000 1.419 688 N HN -0.066 nan 8.380 nan 0.000 0.517 689 K N 1.564 122.014 120.400 0.084 0.000 2.152 689 K HA -0.138 4.180 4.320 -0.003 0.000 0.206 689 K C 1.685 178.198 176.600 -0.146 0.000 1.048 689 K CA 1.124 57.354 56.287 -0.095 0.000 0.933 689 K CB 0.298 32.558 32.500 -0.401 0.000 0.721 689 K HN 0.483 nan 8.250 nan 0.000 0.447 690 R N 0.940 121.330 120.500 -0.182 0.000 2.062 690 R HA -0.066 4.272 4.340 -0.003 0.000 0.231 690 R C 2.290 178.567 176.300 -0.039 0.000 1.136 690 R CA 1.195 57.177 56.100 -0.196 0.000 0.948 690 R CB -0.230 29.904 30.300 -0.277 0.000 0.845 690 R HN 0.078 nan 8.270 nan 0.000 0.430 691 I N 0.310 120.870 120.570 -0.016 0.000 2.208 691 I HA -0.231 3.938 4.170 -0.003 0.000 0.245 691 I C 2.478 178.550 176.117 -0.075 0.000 1.097 691 I CA 1.612 62.910 61.300 -0.004 0.000 1.363 691 I CB -0.611 37.382 38.000 -0.012 0.000 1.051 691 I HN 0.414 nan 8.210 nan 0.000 0.413 692 G N -0.262 108.510 108.800 -0.046 0.000 2.476 692 G HA2 -0.384 3.574 3.960 -0.003 0.000 0.218 692 G HA3 -0.384 3.574 3.960 -0.003 0.000 0.218 692 G C 1.507 176.333 174.900 -0.123 0.000 1.164 692 G CA 1.570 46.585 45.100 -0.142 0.000 0.768 692 G HN 0.483 nan 8.290 nan 0.000 0.560 693 H N -0.227 118.796 119.070 -0.078 0.000 2.321 693 H HA 0.007 4.561 4.556 -0.003 0.000 0.300 693 H C 2.155 177.362 175.328 -0.201 0.000 1.087 693 H CA 1.726 57.732 56.048 -0.069 0.000 1.319 693 H CB -0.331 29.223 29.762 -0.348 0.000 1.379 693 H HN 0.380 nan 8.280 nan 0.000 0.501 694 F N -0.768 119.080 119.950 -0.171 0.000 2.456 694 F HA -0.031 4.495 4.527 -0.003 0.000 0.298 694 F C 2.145 177.404 175.800 -0.903 0.000 1.104 694 F CA 0.256 57.897 58.000 -0.598 0.000 1.435 694 F CB 0.024 38.620 39.000 -0.672 0.000 1.078 694 F HN 0.242 nan 8.300 nan 0.000 0.546 695 L N -0.495 120.482 121.223 -0.410 0.000 2.109 695 L HA -0.132 4.206 4.340 -0.003 0.000 0.207 695 L C 2.136 178.768 176.870 -0.397 0.000 1.086 695 L CA 1.485 56.101 54.840 -0.373 0.000 0.760 695 L CB -1.077 40.742 42.059 -0.401 0.000 0.910 695 L HN 0.158 nan 8.230 nan 0.000 0.437 696 F N -0.399 119.159 119.950 -0.653 0.000 2.025 696 F HA -0.307 4.219 4.527 -0.003 0.000 0.297 696 F C 1.874 177.285 175.800 -0.648 0.000 1.132 696 F CA 2.377 59.920 58.000 -0.761 0.000 1.191 696 F CB -0.720 37.547 39.000 -1.223 0.000 0.963 696 F HN 0.135 nan 8.300 nan 0.000 0.481 697 W N -0.503 120.603 121.300 -0.324 0.000 2.425 697 W HA -0.070 4.588 4.660 -0.003 0.000 0.277 697 W C 2.435 178.926 176.519 -0.046 0.000 1.231 697 W CA 0.898 58.109 57.345 -0.224 0.000 1.248 697 W CB -0.714 28.715 29.460 -0.052 0.000 1.117 697 W HN 0.047 nan 8.180 nan 0.000 0.568 698 F N -0.324 119.616 119.950 -0.016 0.000 2.163 698 F HA -0.177 4.348 4.527 -0.003 0.000 0.297 698 F C 2.163 177.768 175.800 -0.326 0.000 1.094 698 F CA 0.486 58.412 58.000 -0.123 0.000 1.290 698 F CB -0.753 38.182 39.000 -0.108 0.000 1.017 698 F HN -0.210 nan 8.300 nan 0.000 0.483 699 L N 0.141 121.236 121.223 -0.214 0.000 2.017 699 L HA -0.225 4.113 4.340 -0.003 0.000 0.208 699 L C 2.598 179.236 176.870 -0.386 0.000 1.073 699 L CA 1.350 55.939 54.840 -0.417 0.000 0.745 699 L CB -0.589 41.266 42.059 -0.341 0.000 0.894 699 L HN 0.091 nan 8.230 nan 0.000 0.432 700 R N -0.120 120.115 120.500 -0.441 0.000 2.115 700 R HA -0.158 4.181 4.340 -0.003 0.000 0.230 700 R C 2.592 178.795 176.300 -0.162 0.000 1.111 700 R CA 1.393 57.250 56.100 -0.405 0.000 0.976 700 R CB -0.115 29.733 30.300 -0.753 0.000 0.870 700 R HN 0.369 nan 8.270 nan 0.000 0.445 701 S N 0.483 116.142 115.700 -0.070 0.000 2.359 701 S HA -0.155 4.313 4.470 -0.003 0.000 0.224 701 S C 1.638 176.210 174.600 -0.046 0.000 1.035 701 S CA 1.276 59.478 58.200 0.005 0.000 1.018 701 S CB -0.184 63.047 63.200 0.051 0.000 0.876 701 S HN 0.383 nan 8.310 nan 0.000 0.448 702 E N 1.154 121.271 120.200 -0.138 0.000 2.072 702 E HA -0.007 4.341 4.350 -0.003 0.000 0.191 702 E C 2.192 178.796 176.600 0.007 0.000 0.985 702 E CA 1.130 57.469 56.400 -0.103 0.000 0.801 702 E CB -0.523 28.982 29.700 -0.325 0.000 0.750 702 E HN 0.649 nan 8.360 nan 0.000 0.452 703 I N 1.299 121.848 120.570 -0.036 0.000 2.264 703 I HA -0.263 3.905 4.170 -0.003 0.000 0.248 703 I C 2.430 178.564 176.117 0.028 0.000 1.111 703 I CA 1.209 62.508 61.300 -0.002 0.000 1.382 703 I CB -0.251 37.713 38.000 -0.059 0.000 1.060 703 I HN -0.000 nan 8.210 nan 0.000 0.418 704 A N 0.185 123.018 122.820 0.021 0.000 2.014 704 A HA -0.170 4.148 4.320 -0.003 0.000 0.218 704 A C 1.915 179.542 177.584 0.071 0.000 1.163 704 A CA 1.475 53.544 52.037 0.053 0.000 0.652 704 A CB -0.318 18.712 19.000 0.050 0.000 0.808 704 A HN 0.657 nan 8.150 nan 0.000 0.449 705 Q N -1.329 118.512 119.800 0.068 0.000 2.089 705 Q HA 0.377 4.715 4.340 -0.003 0.000 0.248 705 Q C -0.357 175.700 176.000 0.095 0.000 0.828 705 Q CA 0.225 56.077 55.803 0.080 0.000 1.102 705 Q CB 0.144 28.924 28.738 0.071 0.000 1.221 705 Q HN 0.249 nan 8.270 nan 0.000 0.455 706 S N 0.519 116.286 115.700 0.112 0.000 2.673 706 S HA 0.340 4.808 4.470 -0.003 0.000 0.256 706 S C 0.377 175.058 174.600 0.135 0.000 1.141 706 S CA -0.655 57.633 58.200 0.146 0.000 1.109 706 S CB 0.892 64.198 63.200 0.177 0.000 1.101 706 S HN 0.415 nan 8.310 nan 0.000 0.471 707 R N 2.222 122.804 120.500 0.136 0.000 2.189 707 R HA -0.054 4.284 4.340 -0.003 0.000 0.223 707 R C 0.854 177.138 176.300 -0.027 0.000 1.092 707 R CA 1.247 57.421 56.100 0.124 0.000 0.989 707 R CB -0.395 30.065 30.300 0.266 0.000 0.876 707 R HN 0.720 nan 8.270 nan 0.000 0.457 708 H N -1.303 117.571 119.070 -0.326 0.000 2.457 708 H HA -0.072 4.482 4.556 -0.003 0.000 0.294 708 H C 0.471 175.384 175.328 -0.691 0.000 1.064 708 H CA 1.314 56.933 56.048 -0.715 0.000 1.330 708 H CB 0.107 29.385 29.762 -0.806 0.000 1.395 708 H HN 0.234 nan 8.280 nan 0.000 0.541 709 Y N -0.338 119.947 120.300 -0.025 0.000 2.767 709 Y HA 0.042 4.590 4.550 -0.003 0.000 0.254 709 Y C 1.729 177.555 175.900 -0.124 0.000 1.133 709 Y CA -0.406 57.612 58.100 -0.138 0.000 1.225 709 Y CB 0.533 38.882 38.460 -0.185 0.000 1.312 709 Y HN 0.208 nan 8.280 nan 0.000 0.560 710 Q N 0.376 120.175 119.800 -0.002 0.000 2.119 710 Q HA -0.201 4.138 4.340 -0.003 0.000 0.201 710 Q C 1.047 176.812 176.000 -0.392 0.000 0.972 710 Q CA 1.866 57.590 55.803 -0.133 0.000 0.847 710 Q CB -0.223 28.386 28.738 -0.214 0.000 0.903 710 Q HN 0.566 nan 8.270 nan 0.000 0.433 711 Q N 0.790 120.319 119.800 -0.452 0.000 2.079 711 Q HA -0.114 4.224 4.340 -0.003 0.000 0.200 711 Q C 2.259 178.040 176.000 -0.365 0.000 0.974 711 Q CA 1.293 56.803 55.803 -0.488 0.000 0.840 711 Q CB -0.306 28.251 28.738 -0.301 0.000 0.898 711 Q HN 0.377 nan 8.270 nan 0.000 0.430 712 R N 0.841 121.101 120.500 -0.400 0.000 2.082 712 R HA -0.146 4.193 4.340 -0.003 0.000 0.234 712 R C 2.045 178.216 176.300 -0.215 0.000 1.136 712 R CA 1.593 57.439 56.100 -0.423 0.000 0.935 712 R CB -0.330 29.738 30.300 -0.387 0.000 0.842 712 R HN 0.232 nan 8.270 nan 0.000 0.430 713 F N 0.562 120.443 119.950 -0.115 0.000 2.216 713 F HA -0.147 4.378 4.527 -0.003 0.000 0.300 713 F C 2.600 178.323 175.800 -0.129 0.000 1.085 713 F CA 0.538 58.475 58.000 -0.105 0.000 1.326 713 F CB -0.166 38.772 39.000 -0.103 0.000 1.027 713 F HN 0.281 nan 8.300 nan 0.000 0.497 714 A N -0.155 122.665 122.820 -0.001 0.000 1.898 714 A HA -0.127 4.191 4.320 -0.003 0.000 0.216 714 A C 2.269 179.848 177.584 -0.008 0.000 1.181 714 A CA 1.610 53.623 52.037 -0.040 0.000 0.620 714 A CB -1.115 17.820 19.000 -0.108 0.000 0.819 714 A HN 0.163 nan 8.150 nan 0.000 0.442 715 V N 0.126 120.021 119.914 -0.031 0.000 2.407 715 V HA -0.264 3.854 4.120 -0.003 0.000 0.248 715 V C 2.392 178.502 176.094 0.028 0.000 1.055 715 V CA 2.063 64.358 62.300 -0.008 0.000 1.049 715 V CB -0.605 31.190 31.823 -0.046 0.000 0.662 715 V HN 0.574 nan 8.190 nan 0.000 0.455 716 I N -0.938 119.660 120.570 0.048 0.000 2.286 716 I HA -0.214 3.954 4.170 -0.003 0.000 0.245 716 I C 2.341 178.512 176.117 0.089 0.000 1.104 716 I CA 1.266 62.617 61.300 0.085 0.000 1.397 716 I CB -0.220 37.859 38.000 0.132 0.000 1.072 716 I HN 0.263 nan 8.210 nan 0.000 0.417 717 L N 0.759 122.016 121.223 0.057 0.000 2.017 717 L HA -0.244 4.095 4.340 -0.003 0.000 0.208 717 L C 2.627 179.543 176.870 0.077 0.000 1.073 717 L CA 1.787 56.651 54.840 0.041 0.000 0.745 717 L CB -0.457 41.552 42.059 -0.084 0.000 0.894 717 L HN 0.367 nan 8.230 nan 0.000 0.432 718 E N 0.010 120.229 120.200 0.032 0.000 2.070 718 E HA -0.291 4.057 4.350 -0.003 0.000 0.197 718 E C 1.996 178.617 176.600 0.035 0.000 1.004 718 E CA 1.548 57.956 56.400 0.013 0.000 0.805 718 E CB -0.010 29.693 29.700 0.004 0.000 0.744 718 E HN 0.573 nan 8.360 nan 0.000 0.451 719 A N 0.494 123.352 122.820 0.062 0.000 1.902 719 A HA -0.222 4.096 4.320 -0.003 0.000 0.217 719 A C 2.089 179.728 177.584 0.091 0.000 1.181 719 A CA 1.617 53.696 52.037 0.070 0.000 0.623 719 A CB -1.075 17.970 19.000 0.076 0.000 0.818 719 A HN 0.605 nan 8.150 nan 0.000 0.443 720 Y N 0.607 120.920 120.300 0.023 0.000 2.165 720 Y HA -0.189 4.359 4.550 -0.002 0.000 0.286 720 Y C 1.867 177.806 175.900 0.065 0.000 1.155 720 Y CA 1.955 60.077 58.100 0.036 0.000 1.164 720 Y CB -0.411 38.061 38.460 0.021 0.000 0.978 720 Y HN 0.215 nan 8.280 nan 0.000 0.513 721 L N -0.324 120.797 121.223 -0.171 0.000 2.217 721 L HA -0.120 4.218 4.340 -0.003 0.000 0.211 721 L C 2.360 179.168 176.870 -0.105 0.000 1.107 721 L CA 1.065 55.778 54.840 -0.212 0.000 0.783 721 L CB -0.389 41.636 42.059 -0.057 0.000 0.919 721 L HN 0.068 nan 8.230 nan 0.000 0.442 722 R N -0.333 120.149 120.500 -0.030 0.000 2.307 722 R HA 0.009 4.347 4.340 -0.003 0.000 0.199 722 R C 1.686 178.001 176.300 0.025 0.000 1.000 722 R CA 0.788 56.941 56.100 0.087 0.000 1.023 722 R CB -0.037 30.326 30.300 0.104 0.000 0.908 722 R HN 0.350 nan 8.270 nan 0.000 0.473 723 G N -0.672 108.081 108.800 -0.077 0.000 3.274 723 G HA2 -0.068 3.890 3.960 -0.003 0.000 0.250 723 G HA3 -0.068 3.890 3.960 -0.003 0.000 0.250 723 G C 1.156 175.974 174.900 -0.136 0.000 1.024 723 G CA -0.083 44.964 45.100 -0.087 0.000 0.840 723 G HN 0.425 nan 8.290 nan 0.000 0.522 724 C N -0.567 118.586 119.300 -0.246 0.000 2.514 724 C HA 0.568 5.026 4.460 -0.003 0.000 0.271 724 C C 1.471 176.492 174.990 0.052 0.000 1.399 724 C CA -0.023 58.887 59.018 -0.180 0.000 1.765 724 C CB -1.007 26.415 27.740 -0.530 0.000 1.893 724 C HN 1.294 nan 8.230 nan 0.000 0.531 725 G N 0.481 109.293 108.800 0.019 0.000 2.719 725 G HA2 0.013 3.971 3.960 -0.003 0.000 0.686 725 G HA3 0.013 3.971 3.960 -0.003 0.000 0.686 725 G C 0.333 175.255 174.900 0.037 0.000 1.201 725 G CA 0.304 45.439 45.100 0.058 0.000 0.768 725 G HN 1.144 nan 8.290 nan 0.000 0.629 726 T N -1.226 113.347 114.554 0.032 0.000 2.929 726 T HA 0.181 4.530 4.350 -0.003 0.000 0.271 726 T C 2.541 177.252 174.700 0.019 0.000 1.085 726 T CA 2.240 64.361 62.100 0.035 0.000 1.125 726 T CB -0.119 68.759 68.868 0.017 0.000 0.874 726 T HN 2.038 nan 8.240 nan 0.000 0.494 727 A N 1.983 124.796 122.820 -0.012 0.000 1.873 727 A HA 0.159 4.477 4.320 -0.003 0.000 0.215 727 A C 2.517 180.041 177.584 -0.101 0.000 1.186 727 A CA 1.444 53.461 52.037 -0.033 0.000 0.616 727 A CB -0.639 18.324 19.000 -0.062 0.000 0.823 727 A HN 0.501 nan 8.150 nan 0.000 0.442 728 M N -0.720 118.774 119.600 -0.177 0.000 2.319 728 M HA 0.012 4.490 4.480 -0.003 0.000 0.265 728 M C 1.983 177.996 176.300 -0.478 0.000 1.068 728 M CA 0.961 56.006 55.300 -0.424 0.000 1.118 728 M CB -0.588 31.817 32.600 -0.326 0.000 1.395 728 M HN 0.376 nan 8.290 nan 0.000 0.435 729 L N -1.049 120.104 121.223 -0.117 0.000 2.109 729 L HA -0.198 4.140 4.340 -0.003 0.000 0.207 729 L C 2.592 179.472 176.870 0.015 0.000 1.086 729 L CA 1.183 56.044 54.840 0.036 0.000 0.760 729 L CB -0.808 41.315 42.059 0.108 0.000 0.910 729 L HN 0.328 nan 8.230 nan 0.000 0.437 730 H N -0.051 118.973 119.070 -0.078 0.000 2.389 730 H HA -0.166 4.388 4.556 -0.002 0.000 0.299 730 H C 1.746 177.016 175.328 -0.096 0.000 1.081 730 H CA 1.892 57.905 56.048 -0.058 0.000 1.345 730 H CB 0.013 29.744 29.762 -0.053 0.000 1.393 730 H HN 0.193 nan 8.280 nan 0.000 0.520 731 D N -0.268 119.912 120.400 -0.366 0.000 2.084 731 D HA -0.146 4.492 4.640 -0.003 0.000 0.194 731 D C 1.940 178.032 176.300 -0.346 0.000 0.990 731 D CA 1.524 55.257 54.000 -0.445 0.000 0.826 731 D CB -0.445 40.052 40.800 -0.506 0.000 0.971 731 D HN 0.447 nan 8.370 nan 0.000 0.453 732 F N 0.373 120.147 119.950 -0.293 0.000 2.171 732 F HA -0.167 4.358 4.527 -0.003 0.000 0.300 732 F C 2.586 178.257 175.800 -0.216 0.000 1.090 732 F CA 0.866 58.615 58.000 -0.418 0.000 1.293 732 F CB -0.389 38.120 39.000 -0.819 0.000 1.013 732 F HN -0.073 nan 8.300 nan 0.000 0.486 733 T N -0.711 113.843 114.554 -0.001 0.000 2.821 733 T HA -0.169 4.180 4.350 -0.003 0.000 0.267 733 T C 1.958 176.654 174.700 -0.008 0.000 1.046 733 T CA 1.002 63.108 62.100 0.010 0.000 1.139 733 T CB -0.197 68.678 68.868 0.012 0.000 0.871 733 T HN 0.195 nan 8.240 nan 0.000 0.454 734 Q N 1.219 120.963 119.800 -0.093 0.000 2.050 734 Q HA -0.115 4.223 4.340 -0.003 0.000 0.202 734 Q C 2.422 178.453 176.000 0.052 0.000 0.980 734 Q CA 1.501 57.274 55.803 -0.050 0.000 0.840 734 Q CB -0.377 28.290 28.738 -0.119 0.000 0.898 734 Q HN 0.660 nan 8.270 nan 0.000 0.424 735 Q N -0.181 119.701 119.800 0.135 0.000 2.079 735 Q HA -0.080 4.259 4.340 -0.003 0.000 0.200 735 Q C 2.277 178.452 176.000 0.292 0.000 0.974 735 Q CA 1.264 57.236 55.803 0.283 0.000 0.840 735 Q CB 0.018 29.085 28.738 0.548 0.000 0.898 735 Q HN 0.142 nan 8.270 nan 0.000 0.430 736 V N 0.984 121.059 119.914 0.269 0.000 2.427 736 V HA -0.261 3.857 4.120 -0.003 0.000 0.248 736 V C 2.085 178.263 176.094 0.139 0.000 1.051 736 V CA 1.716 64.168 62.300 0.253 0.000 1.048 736 V CB -0.467 31.463 31.823 0.179 0.000 0.666 736 V HN 0.350 nan 8.190 nan 0.000 0.456 737 Q N -0.521 119.324 119.800 0.075 0.000 2.020 737 Q HA -0.172 4.166 4.340 -0.003 0.000 0.202 737 Q C 2.387 178.377 176.000 -0.017 0.000 0.982 737 Q CA 2.017 57.836 55.803 0.026 0.000 0.838 737 Q CB -0.369 28.377 28.738 0.013 0.000 0.899 737 Q HN 0.506 nan 8.270 nan 0.000 0.423 738 V N 1.494 121.360 119.914 -0.080 0.000 2.231 738 V HA -0.301 3.818 4.120 -0.003 0.000 0.248 738 V C 2.285 178.296 176.094 -0.138 0.000 1.054 738 V CA 2.186 64.356 62.300 -0.216 0.000 1.015 738 V CB -0.750 30.706 31.823 -0.611 0.000 0.638 738 V HN 0.522 nan 8.190 nan 0.000 0.444 739 I N -1.256 119.309 120.570 -0.009 0.000 2.493 739 I HA -0.141 4.027 4.170 -0.003 0.000 0.254 739 I C 2.106 178.275 176.117 0.086 0.000 1.160 739 I CA 1.649 63.032 61.300 0.138 0.000 1.445 739 I CB -0.783 37.399 38.000 0.303 0.000 1.086 739 I HN 0.303 nan 8.210 nan 0.000 0.433 740 E N 0.842 121.079 120.200 0.061 0.000 2.150 740 E HA -0.131 4.218 4.350 -0.003 0.000 0.193 740 E C 2.178 178.767 176.600 -0.019 0.000 0.985 740 E CA 1.438 57.860 56.400 0.037 0.000 0.814 740 E CB -0.211 29.515 29.700 0.043 0.000 0.752 740 E HN 0.594 nan 8.360 nan 0.000 0.466 741 M N 0.113 119.681 119.600 -0.053 0.000 2.229 741 M HA -0.109 4.369 4.480 -0.003 0.000 0.264 741 M C 2.023 178.242 176.300 -0.135 0.000 1.063 741 M CA 1.146 56.398 55.300 -0.079 0.000 1.114 741 M CB 0.067 32.619 32.600 -0.079 0.000 1.387 741 M HN 0.100 nan 8.290 nan 0.000 0.420 742 L N -0.970 120.112 121.223 -0.234 0.000 2.221 742 L HA -0.068 4.270 4.340 -0.003 0.000 0.202 742 L C 2.467 179.127 176.870 -0.351 0.000 1.074 742 L CA 0.689 55.269 54.840 -0.433 0.000 0.795 742 L CB -0.500 40.984 42.059 -0.959 0.000 0.960 742 L HN 0.260 nan 8.230 nan 0.000 0.458 743 Q N 0.320 120.005 119.800 -0.191 0.000 2.112 743 Q HA -0.292 4.046 4.340 -0.003 0.000 0.206 743 Q C 2.158 178.138 176.000 -0.033 0.000 0.987 743 Q CA 1.677 57.480 55.803 0.001 0.000 0.858 743 Q CB -0.161 28.636 28.738 0.097 0.000 0.905 743 Q HN 0.323 nan 8.270 nan 0.000 0.420 744 K N 0.565 120.935 120.400 -0.051 0.000 2.044 744 K HA -0.189 4.129 4.320 -0.003 0.000 0.210 744 K C 1.969 178.545 176.600 -0.041 0.000 1.049 744 K CA 1.618 57.880 56.287 -0.041 0.000 0.927 744 K CB -0.069 32.407 32.500 -0.040 0.000 0.713 744 K HN 0.070 nan 8.250 nan 0.000 0.443 745 V N 1.004 120.879 119.914 -0.066 0.000 2.407 745 V HA -0.219 3.900 4.120 -0.003 0.000 0.248 745 V C 2.236 178.317 176.094 -0.022 0.000 1.055 745 V CA 2.253 64.522 62.300 -0.053 0.000 1.049 745 V CB -0.639 31.135 31.823 -0.082 0.000 0.662 745 V HN 0.471 nan 8.190 nan 0.000 0.455 746 T N 0.780 115.325 114.554 -0.014 0.000 2.777 746 T HA -0.092 4.257 4.350 -0.003 0.000 0.266 746 T C 1.860 176.608 174.700 0.080 0.000 1.040 746 T CA 1.515 63.649 62.100 0.056 0.000 1.141 746 T CB -0.286 68.655 68.868 0.122 0.000 0.868 746 T HN 0.349 nan 8.240 nan 0.000 0.444 747 L N 0.938 122.192 121.223 0.052 0.000 2.093 747 L HA -0.069 4.269 4.340 -0.003 0.000 0.208 747 L C 2.195 179.092 176.870 0.045 0.000 1.085 747 L CA 1.124 55.997 54.840 0.055 0.000 0.755 747 L CB -0.725 41.320 42.059 -0.023 0.000 0.904 747 L HN 0.124 nan 8.230 nan 0.000 0.435 748 D N -0.010 120.402 120.400 0.021 0.000 2.310 748 D HA -0.097 4.541 4.640 -0.003 0.000 0.212 748 D C 1.986 178.297 176.300 0.018 0.000 0.965 748 D CA 0.982 54.991 54.000 0.014 0.000 0.879 748 D CB 0.134 40.934 40.800 0.000 0.000 0.921 748 D HN 0.237 nan 8.370 nan 0.000 0.510 749 I N 0.125 120.711 120.570 0.027 0.000 2.867 749 I HA -0.029 4.139 4.170 -0.003 0.000 0.265 749 I C 2.019 178.154 176.117 0.030 0.000 1.162 749 I CA 0.570 61.885 61.300 0.024 0.000 1.471 749 I CB 0.183 38.198 38.000 0.025 0.000 1.123 749 I HN -0.222 nan 8.210 nan 0.000 0.440 750 K N 0.049 120.480 120.400 0.053 0.000 2.074 750 K HA -0.185 4.133 4.320 -0.003 0.000 0.209 750 K C 2.148 178.769 176.600 0.035 0.000 1.048 750 K CA 2.003 58.323 56.287 0.055 0.000 0.926 750 K CB -0.110 32.446 32.500 0.093 0.000 0.713 750 K HN 0.255 nan 8.250 nan 0.000 0.444 751 S N 1.060 116.782 115.700 0.036 0.000 2.402 751 S HA -0.050 4.418 4.470 -0.003 0.000 0.229 751 S C 1.825 176.432 174.600 0.011 0.000 1.021 751 S CA 0.916 59.132 58.200 0.028 0.000 0.974 751 S CB -0.149 63.069 63.200 0.029 0.000 0.800 751 S HN 0.222 nan 8.310 nan 0.000 0.484 752 L N 1.790 123.014 121.223 0.003 0.000 2.240 752 L HA 0.092 4.430 4.340 -0.003 0.000 0.211 752 L C 1.310 178.161 176.870 -0.032 0.000 1.106 752 L CA 0.173 55.006 54.840 -0.011 0.000 0.793 752 L CB -0.921 41.131 42.059 -0.012 0.000 0.927 752 L HN 0.225 nan 8.230 nan 0.000 0.446 753 S N 0.686 116.365 115.700 -0.034 0.000 2.603 753 S HA 0.553 5.021 4.470 -0.003 0.000 0.268 753 S C 0.364 174.923 174.600 -0.069 0.000 1.317 753 S CA -0.582 57.577 58.200 -0.068 0.000 1.012 753 S CB 1.467 64.638 63.200 -0.050 0.000 0.926 753 S HN 0.185 nan 8.310 nan 0.000 0.539 754 A N 0.978 123.714 122.820 -0.139 0.000 2.409 754 A HA 0.268 4.587 4.320 -0.003 0.000 0.246 754 A C 1.415 179.006 177.584 0.013 0.000 1.099 754 A CA 0.187 52.178 52.037 -0.076 0.000 0.789 754 A CB -0.449 18.428 19.000 -0.205 0.000 1.053 754 A HN 1.042 nan 8.150 nan 0.000 0.503 755 E N 0.112 120.355 120.200 0.072 0.000 2.085 755 E HA -0.125 4.223 4.350 -0.003 0.000 0.194 755 E C 0.295 176.942 176.600 0.078 0.000 0.994 755 E CA 1.900 58.341 56.400 0.070 0.000 0.801 755 E CB 0.084 29.829 29.700 0.075 0.000 0.743 755 E HN 0.431 nan 8.360 nan 0.000 0.453 756 K N -0.533 119.949 120.400 0.137 0.000 2.707 756 K HA 0.116 4.435 4.320 -0.003 0.000 0.283 756 K C -1.990 174.804 176.600 0.324 0.000 1.105 756 K CA -0.567 55.807 56.287 0.145 0.000 1.018 756 K CB 0.213 32.772 32.500 0.099 0.000 1.315 756 K HN 0.199 nan 8.250 nan 0.000 0.495 757 Y N 1.188 121.492 120.300 0.008 0.000 2.299 757 Y HA 0.341 4.889 4.550 -0.003 0.000 0.318 757 Y C -0.346 175.556 175.900 0.004 0.000 1.205 757 Y CA -1.153 56.950 58.100 0.006 0.000 1.106 757 Y CB 0.907 39.370 38.460 0.006 0.000 1.246 757 Y HN 0.552 nan 8.280 nan 0.000 0.415 758 D N 0.705 121.148 120.400 0.071 0.000 3.455 758 D HA -0.213 4.425 4.640 -0.003 0.000 0.216 758 D C -1.260 175.016 176.300 -0.039 0.000 1.510 758 D CA 0.874 54.882 54.000 0.013 0.000 1.128 758 D CB -0.544 40.274 40.800 0.029 0.000 0.680 758 D HN 0.602 nan 8.370 nan 0.000 0.828 759 V N -0.082 119.801 119.914 -0.051 0.000 2.697 759 V HA 0.401 4.519 4.120 -0.003 0.000 0.300 759 V C -0.110 175.948 176.094 -0.061 0.000 1.115 759 V CA -0.513 61.753 62.300 -0.055 0.000 0.912 759 V CB 1.970 33.773 31.823 -0.033 0.000 1.024 759 V HN 0.545 nan 8.190 nan 0.000 0.431 760 S N 1.989 117.645 115.700 -0.073 0.000 2.593 760 S HA 0.166 4.634 4.470 -0.003 0.000 0.269 760 S C 1.567 176.142 174.600 -0.042 0.000 1.334 760 S CA 0.692 58.852 58.200 -0.067 0.000 1.015 760 S CB 1.422 64.577 63.200 -0.075 0.000 0.912 760 S HN 1.087 nan 8.310 nan 0.000 0.541 761 S N 1.826 117.506 115.700 -0.034 0.000 2.348 761 S HA -0.189 4.279 4.470 -0.003 0.000 0.221 761 S C 1.759 176.345 174.600 -0.023 0.000 1.033 761 S CA 1.788 59.974 58.200 -0.024 0.000 1.010 761 S CB -0.591 62.598 63.200 -0.018 0.000 0.891 761 S HN 0.796 nan 8.310 nan 0.000 0.442 762 Q N -0.230 119.555 119.800 -0.024 0.000 2.508 762 Q HA 0.001 4.339 4.340 -0.003 0.000 0.214 762 Q C 1.553 177.540 176.000 -0.022 0.000 0.979 762 Q CA 0.910 56.700 55.803 -0.021 0.000 0.911 762 Q CB -0.005 28.721 28.738 -0.021 0.000 0.969 762 Q HN 0.555 nan 8.270 nan 0.000 0.504 763 V N -0.256 119.642 119.914 -0.027 0.000 2.795 763 V HA -0.107 4.011 4.120 -0.003 0.000 0.243 763 V C 1.856 177.940 176.094 -0.017 0.000 1.069 763 V CA 0.415 62.700 62.300 -0.024 0.000 1.089 763 V CB 0.045 31.848 31.823 -0.034 0.000 0.756 763 V HN 0.405 nan 8.190 nan 0.000 0.471 764 I N 0.061 120.620 120.570 -0.018 0.000 2.676 764 I HA -0.116 4.052 4.170 -0.003 0.000 0.259 764 I C 2.509 178.619 176.117 -0.012 0.000 1.194 764 I CA 1.310 62.602 61.300 -0.014 0.000 1.473 764 I CB -0.639 37.350 38.000 -0.018 0.000 1.096 764 I HN 0.282 nan 8.210 nan 0.000 0.443 765 S N 0.305 115.997 115.700 -0.014 0.000 2.348 765 S HA -0.177 4.292 4.470 -0.003 0.000 0.221 765 S C 1.693 176.287 174.600 -0.011 0.000 1.033 765 S CA 1.172 59.365 58.200 -0.012 0.000 1.010 765 S CB 0.012 63.205 63.200 -0.012 0.000 0.891 765 S HN 0.467 nan 8.310 nan 0.000 0.442 766 Q N 0.314 120.107 119.800 -0.011 0.000 2.482 766 Q HA 0.114 4.452 4.340 -0.003 0.000 0.209 766 Q C 1.708 177.702 176.000 -0.010 0.000 0.961 766 Q CA 0.164 55.961 55.803 -0.010 0.000 0.945 766 Q CB 0.067 28.799 28.738 -0.010 0.000 1.012 766 Q HN 0.478 nan 8.270 nan 0.000 0.515 767 L N -0.153 121.065 121.223 -0.009 0.000 2.286 767 L HA -0.009 4.329 4.340 -0.003 0.000 0.203 767 L C 1.829 178.691 176.870 -0.013 0.000 1.068 767 L CA 0.759 55.594 54.840 -0.008 0.000 0.811 767 L CB 0.091 42.151 42.059 0.001 0.000 0.989 767 L HN 0.038 nan 8.230 nan 0.000 0.467 768 K N 0.157 120.551 120.400 -0.011 0.000 1.984 768 K HA -0.186 4.132 4.320 -0.003 0.000 0.209 768 K C 1.872 178.464 176.600 -0.014 0.000 1.046 768 K CA 1.277 57.556 56.287 -0.013 0.000 0.934 768 K CB -0.406 32.088 32.500 -0.010 0.000 0.717 768 K HN 0.358 nan 8.250 nan 0.000 0.438 769 Q N 1.040 120.833 119.800 -0.012 0.000 2.082 769 Q HA -0.193 4.145 4.340 -0.003 0.000 0.211 769 Q C 2.169 178.162 176.000 -0.013 0.000 1.002 769 Q CA 1.879 57.676 55.803 -0.011 0.000 0.868 769 Q CB -0.022 28.711 28.738 -0.009 0.000 0.931 769 Q HN 0.194 nan 8.270 nan 0.000 0.414 770 K N 0.134 120.525 120.400 -0.016 0.000 2.057 770 K HA -0.136 4.182 4.320 -0.003 0.000 0.207 770 K C 2.063 178.648 176.600 -0.025 0.000 1.049 770 K CA 1.043 57.318 56.287 -0.020 0.000 0.931 770 K CB -0.162 32.324 32.500 -0.022 0.000 0.714 770 K HN 0.271 nan 8.250 nan 0.000 0.440 771 L N 0.559 121.764 121.223 -0.030 0.000 2.217 771 L HA -0.082 4.256 4.340 -0.003 0.000 0.211 771 L C 2.413 179.268 176.870 -0.026 0.000 1.107 771 L CA 0.740 55.557 54.840 -0.038 0.000 0.783 771 L CB -0.234 41.794 42.059 -0.052 0.000 0.919 771 L HN 0.223 nan 8.230 nan 0.000 0.442 772 E N 0.405 120.594 120.200 -0.018 0.000 2.150 772 E HA -0.189 4.159 4.350 -0.003 0.000 0.193 772 E C 1.637 178.234 176.600 -0.006 0.000 0.985 772 E CA 0.842 57.236 56.400 -0.010 0.000 0.814 772 E CB 0.214 29.909 29.700 -0.007 0.000 0.752 772 E HN 0.471 nan 8.360 nan 0.000 0.466 773 N N 0.336 119.032 118.700 -0.008 0.000 2.216 773 N HA -0.074 4.664 4.740 -0.003 0.000 0.183 773 N C 1.882 177.390 175.510 -0.005 0.000 1.017 773 N CA 0.593 53.639 53.050 -0.006 0.000 0.861 773 N CB -0.115 38.367 38.487 -0.007 0.000 0.986 773 N HN 0.191 nan 8.380 nan 0.000 0.428 774 L N 0.578 121.795 121.223 -0.010 0.000 1.988 774 L HA -0.174 4.164 4.340 -0.003 0.000 0.207 774 L C 2.506 179.379 176.870 0.006 0.000 1.071 774 L CA 1.137 55.973 54.840 -0.008 0.000 0.744 774 L CB -0.692 41.355 42.059 -0.021 0.000 0.893 774 L HN 0.145 nan 8.230 nan 0.000 0.433 775 Q N 0.993 120.798 119.800 0.008 0.000 2.103 775 Q HA -0.286 4.053 4.340 -0.003 0.000 0.213 775 Q C 1.646 177.664 176.000 0.030 0.000 1.008 775 Q CA 2.580 58.397 55.803 0.024 0.000 0.879 775 Q CB -0.304 28.442 28.738 0.014 0.000 0.946 775 Q HN 0.426 nan 8.270 nan 0.000 0.413 776 N N -0.836 117.876 118.700 0.020 0.000 2.097 776 N HA -0.014 4.725 4.740 -0.003 0.000 0.184 776 N C -0.404 175.119 175.510 0.023 0.000 1.082 776 N CA 1.521 54.584 53.050 0.021 0.000 0.909 776 N CB -0.063 38.432 38.487 0.014 0.000 1.051 776 N HN 0.171 nan 8.380 nan 0.000 0.449 777 S N 0.357 116.067 115.700 0.017 0.000 3.489 777 S HA 0.281 4.750 4.470 -0.003 0.000 0.227 777 S C 0.092 174.701 174.600 0.016 0.000 1.360 777 S CA -0.378 57.832 58.200 0.018 0.000 0.934 777 S CB 0.664 63.872 63.200 0.014 0.000 1.410 777 S HN 0.359 nan 8.310 nan 0.000 0.483 778 Q N 0.331 120.143 119.800 0.019 0.000 1.978 778 Q HA 0.183 4.521 4.340 -0.003 0.000 0.151 778 Q C -0.142 175.869 176.000 0.019 0.000 0.615 778 Q CA -0.096 55.716 55.803 0.014 0.000 0.891 778 Q CB 0.173 28.913 28.738 0.005 0.000 1.073 778 Q HN 0.531 nan 8.270 nan 0.000 0.285 779 L N 4.461 125.699 121.223 0.025 0.000 2.426 779 L HA 0.212 4.550 4.340 -0.003 0.000 0.271 779 L C -2.014 174.893 176.870 0.061 0.000 1.169 779 L CA -1.295 53.566 54.840 0.035 0.000 0.836 779 L CB 0.616 42.710 42.059 0.058 0.000 1.112 779 L HN 0.007 nan 8.230 nan 0.000 0.465 780 P HA -0.043 nan 4.420 nan 0.000 0.265 780 P C 0.187 177.564 177.300 0.127 0.000 1.187 780 P CA 0.003 63.160 63.100 0.096 0.000 0.766 780 P CB 0.447 32.212 31.700 0.110 0.000 0.820 781 E N 0.522 120.783 120.200 0.102 0.000 2.171 781 E HA -0.123 4.225 4.350 -0.003 0.000 0.197 781 E C 0.589 177.253 176.600 0.106 0.000 0.997 781 E CA 1.481 57.938 56.400 0.094 0.000 0.810 781 E CB 0.038 29.779 29.700 0.068 0.000 0.738 781 E HN 0.585 nan 8.360 nan 0.000 0.467 782 S N -0.746 115.022 115.700 0.114 0.000 2.543 782 S HA 0.474 4.942 4.470 -0.003 0.000 0.274 782 S C -1.062 173.610 174.600 0.119 0.000 1.149 782 S CA -1.093 57.158 58.200 0.084 0.000 0.866 782 S CB 0.831 64.019 63.200 -0.020 0.000 1.111 782 S HN 0.133 nan 8.310 nan 0.000 0.457 783 F N 0.241 120.134 119.950 -0.095 0.000 2.576 783 F HA 0.748 5.273 4.527 -0.003 0.000 0.313 783 F C -0.227 175.471 175.800 -0.169 0.000 1.078 783 F CA -1.216 56.710 58.000 -0.124 0.000 0.921 783 F CB 1.302 40.242 39.000 -0.101 0.000 1.232 783 F HN 0.726 nan 8.300 nan 0.000 0.459 784 R N 1.771 122.194 120.500 -0.128 0.000 2.491 784 R HA 0.417 4.756 4.340 -0.003 0.000 0.283 784 R C -0.953 175.209 176.300 -0.231 0.000 1.072 784 R CA -0.575 55.376 56.100 -0.250 0.000 1.048 784 R CB 1.313 31.500 30.300 -0.188 0.000 0.983 784 R HN 0.666 nan 8.270 nan 0.000 0.450 785 V N 7.585 127.232 119.914 -0.445 0.000 2.439 785 V HA 0.026 4.144 4.120 -0.003 0.000 0.271 785 V C -1.460 174.375 176.094 -0.432 0.000 1.040 785 V CA -1.069 60.922 62.300 -0.515 0.000 1.002 785 V CB 1.202 32.599 31.823 -0.710 0.000 1.000 785 V HN 0.717 nan 8.190 nan 0.000 0.477 786 P HA -0.156 nan 4.420 nan 0.000 0.216 786 P C 1.206 178.467 177.300 -0.064 0.000 1.150 786 P CA 1.419 64.385 63.100 -0.224 0.000 0.837 786 P CB -0.013 31.211 31.700 -0.793 0.000 0.786 787 Y N -1.768 118.534 120.300 0.003 0.000 2.546 787 Y HA 0.293 4.841 4.550 -0.003 0.000 0.287 787 Y C 0.151 176.187 175.900 0.227 0.000 1.158 787 Y CA -0.195 58.018 58.100 0.188 0.000 1.307 787 Y CB -0.749 37.764 38.460 0.088 0.000 1.036 787 Y HN -0.146 nan 8.280 nan 0.000 0.532 788 D N 1.075 121.441 120.400 -0.057 0.000 2.586 788 D HA 0.218 4.856 4.640 -0.003 0.000 0.254 788 D C -2.404 173.735 176.300 -0.269 0.000 1.248 788 D CA -2.285 51.700 54.000 -0.025 0.000 0.843 788 D CB 1.063 41.884 40.800 0.035 0.000 1.332 788 D HN -0.075 nan 8.370 nan 0.000 0.523 789 P HA 0.016 nan 4.420 nan 0.000 0.231 789 P C 1.387 178.428 177.300 -0.431 0.000 1.158 789 P CA 0.465 63.164 63.100 -0.668 0.000 0.763 789 P CB 0.338 31.306 31.700 -1.220 0.000 0.805 790 G N 0.745 109.376 108.800 -0.281 0.000 2.414 790 G HA2 -0.139 3.819 3.960 -0.003 0.000 0.215 790 G HA3 -0.139 3.819 3.960 -0.003 0.000 0.215 790 G C 0.681 175.432 174.900 -0.248 0.000 1.188 790 G CA -0.028 44.941 45.100 -0.218 0.000 0.783 790 G HN 0.249 nan 8.290 nan 0.000 0.537 791 L N 1.476 122.551 121.223 -0.247 0.000 2.477 791 L HA 0.152 4.490 4.340 -0.003 0.000 0.272 791 L C 0.056 176.730 176.870 -0.327 0.000 1.157 791 L CA -0.009 54.678 54.840 -0.255 0.000 0.889 791 L CB 0.697 42.624 42.059 -0.221 0.000 1.158 791 L HN 0.074 nan 8.230 nan 0.000 0.473 792 K N 4.428 124.648 120.400 -0.300 0.000 2.281 792 K HA 0.446 4.765 4.320 -0.003 0.000 0.272 792 K C -0.296 176.065 176.600 -0.399 0.000 1.048 792 K CA -0.438 55.639 56.287 -0.350 0.000 0.898 792 K CB 1.618 33.974 32.500 -0.241 0.000 1.128 792 K HN 0.625 nan 8.250 nan 0.000 0.460 793 A N 2.728 125.135 122.820 -0.688 0.000 2.340 793 A HA 0.607 4.925 4.320 -0.003 0.000 0.268 793 A C 0.566 177.894 177.584 -0.428 0.000 1.100 793 A CA -0.034 51.593 52.037 -0.683 0.000 0.803 793 A CB 0.879 19.106 19.000 -1.288 0.000 1.043 793 A HN 0.824 nan 8.150 nan 0.000 0.488 794 G N -0.287 108.469 108.800 -0.074 0.000 3.414 794 G HA2 0.589 4.547 3.960 -0.003 0.000 0.189 794 G HA3 0.589 4.547 3.960 -0.003 0.000 0.189 794 G C 0.316 175.378 174.900 0.270 0.000 1.329 794 G CA 0.169 45.316 45.100 0.079 0.000 0.851 794 G HN 1.400 nan 8.290 nan 0.000 0.671 795 A N -0.658 122.286 122.820 0.206 0.000 2.340 795 A HA 0.641 4.959 4.320 -0.003 0.000 0.268 795 A C -0.042 177.656 177.584 0.190 0.000 1.100 795 A CA -0.383 51.774 52.037 0.200 0.000 0.803 795 A CB 0.235 19.302 19.000 0.111 0.000 1.043 795 A HN 0.469 nan 8.150 nan 0.000 0.488 796 L N 1.216 122.496 121.223 0.095 0.000 2.456 796 L HA 0.286 4.624 4.340 -0.003 0.000 0.272 796 L C 1.027 177.853 176.870 -0.074 0.000 1.189 796 L CA 0.060 54.819 54.840 -0.134 0.000 0.846 796 L CB 0.968 42.893 42.059 -0.225 0.000 1.111 796 L HN 0.770 nan 8.230 nan 0.000 0.475 797 A N 4.592 127.354 122.820 -0.098 0.000 2.922 797 A HA 0.289 4.607 4.320 -0.003 0.000 0.298 797 A C 1.111 178.671 177.584 -0.040 0.000 1.588 797 A CA -0.348 51.671 52.037 -0.031 0.000 1.288 797 A CB -0.530 18.477 19.000 0.011 0.000 1.130 797 A HN 0.791 nan 8.150 nan 0.000 0.557 798 I N 0.741 121.289 120.570 -0.038 0.000 2.248 798 I HA -0.297 3.871 4.170 -0.003 0.000 0.248 798 I C 2.218 178.329 176.117 -0.010 0.000 1.107 798 I CA 1.783 63.062 61.300 -0.035 0.000 1.373 798 I CB -0.190 37.795 38.000 -0.025 0.000 1.055 798 I HN 0.657 nan 8.210 nan 0.000 0.418 799 E N 0.441 120.642 120.200 0.001 0.000 2.160 799 E HA -0.239 4.110 4.350 -0.003 0.000 0.195 799 E C 1.828 178.440 176.600 0.021 0.000 0.991 799 E CA 1.156 57.562 56.400 0.009 0.000 0.810 799 E CB -0.091 29.616 29.700 0.012 0.000 0.742 799 E HN 0.462 nan 8.360 nan 0.000 0.466 800 K N -0.381 120.044 120.400 0.042 0.000 2.404 800 K HA 0.137 4.455 4.320 -0.003 0.000 0.194 800 K C -0.139 176.548 176.600 0.145 0.000 1.023 800 K CA -0.181 56.159 56.287 0.088 0.000 1.094 800 K CB 0.476 33.053 32.500 0.129 0.000 0.841 800 K HN 0.053 nan 8.250 nan 0.000 0.523 801 C N 2.661 122.018 119.300 0.094 0.000 2.539 801 C HA 0.361 4.819 4.460 -0.003 0.000 0.392 801 C C 0.044 175.092 174.990 0.095 0.000 1.269 801 C CA -0.690 58.404 59.018 0.126 0.000 2.250 801 C CB -0.258 27.497 27.740 0.025 0.000 2.584 801 C HN 0.464 nan 8.230 nan 0.000 0.589 802 K N 0.757 121.241 120.400 0.139 0.000 2.597 802 K HA 0.626 4.944 4.320 -0.003 0.000 0.282 802 K C -1.760 174.904 176.600 0.106 0.000 0.975 802 K CA -0.756 55.573 56.287 0.070 0.000 0.867 802 K CB 0.604 33.093 32.500 -0.018 0.000 1.465 802 K HN 0.244 nan 8.250 nan 0.000 0.417 803 V N 2.076 122.026 119.914 0.060 0.000 2.686 803 V HA 0.204 4.322 4.120 -0.003 0.000 0.295 803 V C 0.196 176.324 176.094 0.057 0.000 1.055 803 V CA -0.295 62.046 62.300 0.068 0.000 1.050 803 V CB 0.900 32.744 31.823 0.036 0.000 0.984 803 V HN 0.686 nan 8.190 nan 0.000 0.482 804 M N 3.606 123.255 119.600 0.082 0.000 2.113 804 M HA 0.417 4.895 4.480 -0.003 0.000 0.352 804 M C 0.515 176.833 176.300 0.030 0.000 1.170 804 M CA -0.420 54.918 55.300 0.063 0.000 1.053 804 M CB 1.385 34.062 32.600 0.128 0.000 1.601 804 M HN 0.754 nan 8.290 nan 0.000 0.459 805 A N 3.522 126.342 122.820 0.001 0.000 3.092 805 A HA 0.296 4.614 4.320 -0.003 0.000 0.278 805 A C 0.414 178.001 177.584 0.004 0.000 1.956 805 A CA 0.526 52.561 52.037 -0.003 0.000 1.501 805 A CB -0.962 18.029 19.000 -0.016 0.000 0.977 805 A HN 0.884 nan 8.150 nan 0.000 0.607 806 S N 0.384 116.093 115.700 0.014 0.000 2.873 806 S HA 0.544 5.013 4.470 -0.003 0.000 0.303 806 S C -0.828 173.778 174.600 0.011 0.000 1.222 806 S CA -0.934 57.273 58.200 0.010 0.000 0.923 806 S CB 0.417 63.629 63.200 0.019 0.000 1.286 806 S HN 0.329 nan 8.310 nan 0.000 0.571 807 K N 1.872 122.273 120.400 0.002 0.000 2.315 807 K HA 0.430 4.748 4.320 -0.003 0.000 0.291 807 K C -0.574 176.028 176.600 0.004 0.000 1.074 807 K CA -0.156 56.129 56.287 -0.002 0.000 0.936 807 K CB 0.134 32.624 32.500 -0.016 0.000 1.049 807 K HN 0.622 nan 8.250 nan 0.000 0.471 808 K N 2.469 122.873 120.400 0.005 0.000 3.251 808 K HA -0.176 4.142 4.320 -0.003 0.000 0.282 808 K C -0.914 175.704 176.600 0.029 0.000 1.201 808 K CA 0.156 56.443 56.287 0.000 0.000 0.827 808 K CB -1.020 31.456 32.500 -0.041 0.000 1.286 808 K HN 0.647 nan 8.250 nan 0.000 0.503 809 K N -2.188 118.236 120.400 0.040 0.000 3.490 809 K HA -0.175 4.143 4.320 -0.003 0.000 0.273 809 K C -2.362 174.294 176.600 0.094 0.000 0.916 809 K CA 1.114 57.436 56.287 0.059 0.000 0.718 809 K CB -1.552 30.978 32.500 0.049 0.000 1.477 809 K HN 0.366 nan 8.250 nan 0.000 0.452 810 P HA 0.080 nan 4.420 nan 0.000 0.271 810 P C 0.452 177.862 177.300 0.182 0.000 1.218 810 P CA -0.201 62.992 63.100 0.154 0.000 0.780 810 P CB 0.639 32.423 31.700 0.139 0.000 0.901 811 L N 2.356 123.715 121.223 0.226 0.000 2.281 811 L HA 0.272 4.610 4.340 -0.003 0.000 0.285 811 L C 0.720 177.774 176.870 0.307 0.000 1.074 811 L CA -0.530 54.452 54.840 0.236 0.000 0.817 811 L CB 0.532 42.708 42.059 0.194 0.000 1.168 811 L HN 0.458 nan 8.230 nan 0.000 0.434 812 W N 6.868 128.228 121.300 0.100 0.000 2.507 812 W HA 0.390 5.049 4.660 -0.003 0.000 0.334 812 W C -1.426 175.146 176.519 0.089 0.000 1.165 812 W CA -0.542 56.862 57.345 0.099 0.000 1.460 812 W CB 0.437 29.934 29.460 0.062 0.000 1.404 812 W HN 0.431 nan 8.180 nan 0.000 0.435 813 L N 5.692 127.006 121.223 0.152 0.000 2.334 813 L HA 0.513 4.852 4.340 -0.003 0.000 0.272 813 L C 0.082 176.954 176.870 0.004 0.000 1.020 813 L CA -0.802 54.084 54.840 0.076 0.000 0.812 813 L CB 1.949 44.076 42.059 0.112 0.000 1.264 813 L HN 0.243 nan 8.230 nan 0.000 0.439 814 E N 1.460 121.598 120.200 -0.104 0.000 2.314 814 E HA 0.569 4.917 4.350 -0.003 0.000 0.272 814 E C -1.745 174.735 176.600 -0.200 0.000 0.884 814 E CA -0.608 55.792 56.400 0.001 0.000 0.753 814 E CB 2.803 32.566 29.700 0.104 0.000 1.213 814 E HN 0.200 nan 8.360 nan 0.000 0.432 815 F N 0.843 120.847 119.950 0.090 0.000 2.563 815 F HA 0.406 4.932 4.527 -0.003 0.000 0.316 815 F C 0.438 176.262 175.800 0.041 0.000 1.076 815 F CA -1.059 56.991 58.000 0.082 0.000 0.921 815 F CB 1.350 40.408 39.000 0.097 0.000 1.209 815 F HN 0.078 nan 8.300 nan 0.000 0.462 816 K N 0.618 121.142 120.400 0.207 0.000 2.355 816 K HA 0.242 4.560 4.320 -0.003 0.000 0.270 816 K C -0.526 176.124 176.600 0.082 0.000 1.003 816 K CA -0.298 56.060 56.287 0.118 0.000 0.957 816 K CB 0.725 33.275 32.500 0.084 0.000 0.939 816 K HN 0.695 nan 8.250 nan 0.000 0.482 817 C N 2.668 121.984 119.300 0.026 0.000 2.415 817 C HA 0.362 4.821 4.460 -0.003 0.000 0.369 817 C C 1.515 176.481 174.990 -0.040 0.000 1.279 817 C CA -0.399 58.598 59.018 -0.035 0.000 1.886 817 C CB -0.713 27.003 27.740 -0.041 0.000 2.468 817 C HN 0.884 nan 8.230 nan 0.000 0.553 818 A N 3.829 126.605 122.820 -0.073 0.000 2.167 818 A HA 0.078 4.396 4.320 -0.003 0.000 0.214 818 A C 0.911 178.463 177.584 -0.054 0.000 1.151 818 A CA 0.759 52.764 52.037 -0.053 0.000 0.735 818 A CB -0.237 18.722 19.000 -0.069 0.000 0.802 818 A HN 0.920 nan 8.150 nan 0.000 0.467 819 D N 0.383 120.739 120.400 -0.073 0.000 2.316 819 D HA 0.220 4.859 4.640 -0.003 0.000 0.245 819 D C -1.612 174.657 176.300 -0.052 0.000 1.171 819 D CA -1.276 52.681 54.000 -0.072 0.000 0.856 819 D CB 1.415 42.151 40.800 -0.107 0.000 1.090 819 D HN 0.154 nan 8.370 nan 0.000 0.476 820 P HA -0.037 nan 4.420 nan 0.000 0.236 820 P C 0.954 178.242 177.300 -0.020 0.000 1.177 820 P CA 0.559 63.648 63.100 -0.019 0.000 0.773 820 P CB 0.187 31.883 31.700 -0.006 0.000 0.878 821 T N -3.574 110.957 114.554 -0.037 0.000 3.107 821 T HA 0.439 4.787 4.350 -0.003 0.000 0.249 821 T C 0.961 175.615 174.700 -0.077 0.000 1.096 821 T CA -0.310 61.764 62.100 -0.043 0.000 1.012 821 T CB -0.535 68.303 68.868 -0.050 0.000 0.977 821 T HN 0.079 nan 8.240 nan 0.000 0.527 822 A N 1.128 123.904 122.820 -0.073 0.000 2.511 822 A HA 0.495 4.813 4.320 -0.003 0.000 0.242 822 A C 0.891 178.435 177.584 -0.066 0.000 1.069 822 A CA -0.357 51.633 52.037 -0.078 0.000 0.763 822 A CB -0.104 18.859 19.000 -0.062 0.000 1.001 822 A HN 0.527 nan 8.150 nan 0.000 0.498 823 L N 1.860 123.031 121.223 -0.087 0.000 2.629 823 L HA 0.195 4.533 4.340 -0.003 0.000 0.230 823 L C 0.772 177.605 176.870 -0.062 0.000 1.151 823 L CA 0.516 55.298 54.840 -0.098 0.000 0.924 823 L CB -0.040 41.893 42.059 -0.210 0.000 1.137 823 L HN 0.668 nan 8.230 nan 0.000 0.457 824 S N -1.386 114.294 115.700 -0.032 0.000 2.564 824 S HA 0.347 4.816 4.470 -0.003 0.000 0.274 824 S C 0.043 174.646 174.600 0.004 0.000 1.124 824 S CA -0.707 57.487 58.200 -0.009 0.000 0.869 824 S CB 1.162 64.364 63.200 0.004 0.000 1.105 824 S HN 0.306 nan 8.310 nan 0.000 0.472 825 N N 1.298 120.008 118.700 0.015 0.000 2.295 825 N HA 0.147 4.886 4.740 -0.003 0.000 0.221 825 N C -0.569 174.963 175.510 0.037 0.000 1.129 825 N CA -0.094 52.970 53.050 0.024 0.000 0.836 825 N CB 0.552 39.054 38.487 0.024 0.000 1.040 825 N HN 0.498 nan 8.380 nan 0.000 0.494 826 E N 1.681 121.905 120.200 0.040 0.000 2.227 826 E HA 0.088 4.437 4.350 -0.003 0.000 0.282 826 E C 0.070 176.709 176.600 0.064 0.000 1.015 826 E CA -0.429 56.005 56.400 0.057 0.000 0.823 826 E CB 0.922 30.658 29.700 0.060 0.000 1.081 826 E HN 0.216 nan 8.360 nan 0.000 0.396 827 T N 0.715 115.319 114.554 0.084 0.000 2.868 827 T HA 0.325 4.673 4.350 -0.003 0.000 0.292 827 T C 0.464 175.229 174.700 0.109 0.000 1.028 827 T CA -0.594 61.567 62.100 0.102 0.000 1.059 827 T CB 0.514 69.454 68.868 0.120 0.000 0.991 827 T HN 0.261 nan 8.240 nan 0.000 0.531 828 I N 1.791 122.441 120.570 0.134 0.000 2.337 828 I HA 0.410 4.579 4.170 -0.003 0.000 0.291 828 I C 1.113 177.355 176.117 0.210 0.000 1.046 828 I CA -0.212 61.170 61.300 0.136 0.000 1.324 828 I CB 0.530 38.570 38.000 0.066 0.000 1.409 828 I HN 0.883 nan 8.210 nan 0.000 0.494 829 G N 7.584 116.452 108.800 0.113 0.000 2.322 829 G HA2 0.714 4.672 3.960 -0.003 0.000 0.309 829 G HA3 0.714 4.672 3.960 -0.003 0.000 0.309 829 G C -0.570 174.339 174.900 0.015 0.000 1.121 829 G CA -0.343 44.752 45.100 -0.009 0.000 0.886 829 G HN 0.505 nan 8.290 nan 0.000 0.447 830 I N 1.911 122.528 120.570 0.078 0.000 2.545 830 I HA 0.367 4.535 4.170 -0.003 0.000 0.292 830 I C -0.399 175.734 176.117 0.027 0.000 1.040 830 I CA -0.797 60.578 61.300 0.125 0.000 1.068 830 I CB 2.572 40.791 38.000 0.364 0.000 1.251 830 I HN 0.244 nan 8.210 nan 0.000 0.424 831 I N 4.795 125.333 120.570 -0.053 0.000 2.385 831 I HA 0.294 4.462 4.170 -0.003 0.000 0.294 831 I C -0.946 175.195 176.117 0.040 0.000 0.988 831 I CA -0.248 61.065 61.300 0.021 0.000 1.265 831 I CB 1.034 39.012 38.000 -0.038 0.000 1.388 831 I HN 0.331 nan 8.210 nan 0.000 0.480 832 F N 5.722 125.726 119.950 0.090 0.000 2.426 832 F HA 0.447 4.972 4.527 -0.003 0.000 0.348 832 F C 0.042 175.901 175.800 0.098 0.000 1.124 832 F CA -0.562 57.496 58.000 0.097 0.000 1.008 832 F CB 1.434 40.496 39.000 0.103 0.000 1.139 832 F HN 0.246 nan 8.300 nan 0.000 0.452 833 K N 2.785 123.299 120.400 0.191 0.000 2.378 833 K HA 0.421 4.740 4.320 -0.003 0.000 0.252 833 K C -1.808 174.925 176.600 0.221 0.000 0.931 833 K CA -0.661 55.729 56.287 0.172 0.000 0.794 833 K CB 0.957 33.509 32.500 0.088 0.000 1.181 833 K HN 0.596 nan 8.250 nan 0.000 0.425 834 H N 2.188 121.326 119.070 0.114 0.000 2.539 834 H HA 0.638 5.193 4.556 -0.003 0.000 0.332 834 H C 0.359 175.729 175.328 0.071 0.000 1.031 834 H CA 0.468 56.573 56.048 0.094 0.000 1.206 834 H CB 1.411 31.231 29.762 0.097 0.000 1.446 834 H HN 0.732 nan 8.280 nan 0.000 0.496 835 G N 4.594 113.220 108.800 -0.289 0.000 4.077 835 G HA2 -0.156 3.802 3.960 -0.003 0.000 0.199 835 G HA3 -0.156 3.802 3.960 -0.003 0.000 0.199 835 G C -0.291 174.546 174.900 -0.106 0.000 1.302 835 G CA -0.112 44.782 45.100 -0.345 0.000 0.918 835 G HN 0.603 nan 8.290 nan 0.000 0.369 836 D N 1.082 121.460 120.400 -0.036 0.000 2.371 836 D HA 0.464 5.102 4.640 -0.003 0.000 0.242 836 D C -0.659 175.657 176.300 0.026 0.000 1.218 836 D CA 0.178 54.178 54.000 -0.001 0.000 0.945 836 D CB 1.366 42.168 40.800 0.003 0.000 1.137 836 D HN 0.237 nan 8.370 nan 0.000 0.464 837 D N 0.336 120.753 120.400 0.027 0.000 2.412 837 D HA 0.134 4.772 4.640 -0.003 0.000 0.224 837 D C 0.431 176.746 176.300 0.026 0.000 1.093 837 D CA -0.405 53.615 54.000 0.033 0.000 0.850 837 D CB 0.504 41.321 40.800 0.029 0.000 1.046 837 D HN -0.039 nan 8.370 nan 0.000 0.507 838 L N 3.630 124.872 121.223 0.031 0.000 2.446 838 L HA 0.212 4.550 4.340 -0.003 0.000 0.219 838 L C 2.114 178.989 176.870 0.009 0.000 1.116 838 L CA 0.772 55.629 54.840 0.028 0.000 0.844 838 L CB -0.424 41.655 42.059 0.032 0.000 0.970 838 L HN 0.463 nan 8.230 nan 0.000 0.457 839 R N -0.947 119.550 120.500 -0.006 0.000 2.096 839 R HA -0.195 4.143 4.340 -0.003 0.000 0.235 839 R C 2.082 178.346 176.300 -0.059 0.000 1.127 839 R CA 1.270 57.343 56.100 -0.044 0.000 0.968 839 R CB -0.211 30.058 30.300 -0.051 0.000 0.861 839 R HN 0.447 nan 8.270 nan 0.000 0.440 840 Q N 0.461 120.241 119.800 -0.034 0.000 2.084 840 Q HA -0.181 4.158 4.340 -0.003 0.000 0.202 840 Q C 1.347 177.337 176.000 -0.017 0.000 0.978 840 Q CA 1.980 57.761 55.803 -0.036 0.000 0.844 840 Q CB 0.050 28.778 28.738 -0.017 0.000 0.898 840 Q HN 0.337 nan 8.270 nan 0.000 0.426 841 D N -0.380 120.042 120.400 0.036 0.000 2.117 841 D HA -0.143 4.495 4.640 -0.003 0.000 0.198 841 D C 1.734 178.038 176.300 0.007 0.000 0.982 841 D CA 1.036 55.105 54.000 0.114 0.000 0.828 841 D CB -0.014 40.881 40.800 0.159 0.000 0.967 841 D HN 0.177 nan 8.370 nan 0.000 0.464 842 M N -0.027 119.549 119.600 -0.040 0.000 2.088 842 M HA -0.189 4.289 4.480 -0.003 0.000 0.256 842 M C 1.844 178.046 176.300 -0.163 0.000 1.071 842 M CA 1.115 56.352 55.300 -0.106 0.000 1.097 842 M CB -0.372 32.147 32.600 -0.135 0.000 1.315 842 M HN 0.128 nan 8.290 nan 0.000 0.406 843 L N 0.375 121.500 121.223 -0.162 0.000 2.046 843 L HA -0.182 4.156 4.340 -0.003 0.000 0.208 843 L C 2.332 179.093 176.870 -0.182 0.000 1.077 843 L CA 1.702 56.436 54.840 -0.177 0.000 0.747 843 L CB -1.074 40.892 42.059 -0.154 0.000 0.896 843 L HN 0.294 nan 8.230 nan 0.000 0.432 844 I N -1.247 119.200 120.570 -0.205 0.000 2.202 844 I HA -0.237 3.931 4.170 -0.003 0.000 0.242 844 I C 2.365 178.264 176.117 -0.363 0.000 1.091 844 I CA 0.725 61.829 61.300 -0.326 0.000 1.368 844 I CB -0.853 36.824 38.000 -0.538 0.000 1.058 844 I HN 0.185 nan 8.210 nan 0.000 0.410 845 L N 0.482 121.520 121.223 -0.308 0.000 2.127 845 L HA -0.213 4.126 4.340 -0.003 0.000 0.211 845 L C 2.499 179.248 176.870 -0.203 0.000 1.089 845 L CA 1.684 56.374 54.840 -0.250 0.000 0.757 845 L CB -1.518 40.401 42.059 -0.232 0.000 0.899 845 L HN 0.323 nan 8.230 nan 0.000 0.434 846 Q N -0.306 119.378 119.800 -0.193 0.000 2.187 846 Q HA -0.025 4.313 4.340 -0.003 0.000 0.199 846 Q C 2.208 178.117 176.000 -0.153 0.000 0.957 846 Q CA 1.148 56.847 55.803 -0.173 0.000 0.857 846 Q CB -0.048 28.579 28.738 -0.186 0.000 0.929 846 Q HN 0.471 nan 8.270 nan 0.000 0.453 847 I N -0.431 120.046 120.570 -0.155 0.000 2.439 847 I HA -0.205 3.964 4.170 -0.003 0.000 0.251 847 I C 1.308 177.322 176.117 -0.172 0.000 1.139 847 I CA 0.291 61.512 61.300 -0.132 0.000 1.438 847 I CB -0.031 37.909 38.000 -0.100 0.000 1.085 847 I HN 0.204 nan 8.210 nan 0.000 0.427 848 L N 0.435 121.543 121.223 -0.191 0.000 2.141 848 L HA -0.121 4.218 4.340 -0.003 0.000 0.209 848 L C 2.467 179.238 176.870 -0.165 0.000 1.094 848 L CA 1.652 56.376 54.840 -0.193 0.000 0.763 848 L CB -0.717 41.239 42.059 -0.172 0.000 0.908 848 L HN 0.116 nan 8.230 nan 0.000 0.437 849 R N -1.168 119.251 120.500 -0.135 0.000 2.153 849 R HA 0.004 4.342 4.340 -0.003 0.000 0.218 849 R C 2.197 178.467 176.300 -0.050 0.000 1.072 849 R CA 0.892 56.941 56.100 -0.084 0.000 0.990 849 R CB -0.184 30.054 30.300 -0.104 0.000 0.889 849 R HN 0.323 nan 8.270 nan 0.000 0.452 850 I N 0.408 120.906 120.570 -0.119 0.000 2.406 850 I HA -0.213 3.955 4.170 -0.003 0.000 0.249 850 I C 2.281 178.219 176.117 -0.299 0.000 1.122 850 I CA 1.146 62.344 61.300 -0.169 0.000 1.431 850 I CB 0.045 37.955 38.000 -0.150 0.000 1.087 850 I HN 0.125 nan 8.210 nan 0.000 0.424 851 M N -0.367 118.992 119.600 -0.402 0.000 2.156 851 M HA -0.189 4.290 4.480 -0.003 0.000 0.264 851 M C 2.118 177.949 176.300 -0.783 0.000 1.067 851 M CA 1.646 56.479 55.300 -0.778 0.000 1.131 851 M CB -0.385 31.655 32.600 -0.934 0.000 1.368 851 M HN 0.143 nan 8.290 nan 0.000 0.416 852 E N 0.237 120.244 120.200 -0.322 0.000 2.058 852 E HA -0.213 4.135 4.350 -0.003 0.000 0.194 852 E C 2.089 178.685 176.600 -0.007 0.000 0.997 852 E CA 1.883 58.285 56.400 0.004 0.000 0.801 852 E CB -0.149 29.583 29.700 0.053 0.000 0.746 852 E HN 0.518 nan 8.360 nan 0.000 0.450 853 S N 0.433 116.077 115.700 -0.092 0.000 2.402 853 S HA -0.122 4.346 4.470 -0.003 0.000 0.229 853 S C 1.998 176.487 174.600 -0.184 0.000 1.021 853 S CA 0.649 58.770 58.200 -0.131 0.000 0.974 853 S CB -0.302 62.676 63.200 -0.371 0.000 0.800 853 S HN 0.177 nan 8.310 nan 0.000 0.484 854 I N -0.050 120.329 120.570 -0.319 0.000 2.163 854 I HA -0.089 4.079 4.170 -0.003 0.000 0.240 854 I C 2.284 178.318 176.117 -0.139 0.000 1.081 854 I CA 1.067 62.119 61.300 -0.413 0.000 1.353 854 I CB -0.392 37.198 38.000 -0.684 0.000 1.054 854 I HN 0.351 nan 8.210 nan 0.000 0.407 855 W N 1.289 122.534 121.300 -0.093 0.000 2.387 855 W HA -0.172 4.486 4.660 -0.003 0.000 0.272 855 W C 2.413 178.954 176.519 0.036 0.000 1.224 855 W CA 0.911 58.233 57.345 -0.039 0.000 1.210 855 W CB -0.960 28.452 29.460 -0.080 0.000 1.125 855 W HN 0.324 nan 8.180 nan 0.000 0.572 856 E N -0.166 120.173 120.200 0.231 0.000 2.106 856 E HA -0.174 4.174 4.350 -0.003 0.000 0.192 856 E C 2.193 178.881 176.600 0.147 0.000 0.984 856 E CA 2.124 58.659 56.400 0.226 0.000 0.806 856 E CB -0.063 29.717 29.700 0.134 0.000 0.750 856 E HN 0.212 nan 8.360 nan 0.000 0.458 857 T N -1.119 113.494 114.554 0.098 0.000 2.946 857 T HA -0.139 4.209 4.350 -0.003 0.000 0.271 857 T C 0.906 175.675 174.700 0.115 0.000 1.104 857 T CA 1.084 63.238 62.100 0.091 0.000 1.114 857 T CB -0.117 68.814 68.868 0.105 0.000 0.867 857 T HN 0.163 nan 8.240 nan 0.000 0.513 858 E N 0.558 120.853 120.200 0.159 0.000 3.306 858 E HA 0.362 4.710 4.350 -0.003 0.000 0.197 858 E C -0.141 176.556 176.600 0.163 0.000 0.980 858 E CA -0.316 56.173 56.400 0.149 0.000 1.259 858 E CB 0.610 30.416 29.700 0.177 0.000 1.112 858 E HN 0.338 nan 8.360 nan 0.000 0.458 859 S N 0.485 116.304 115.700 0.198 0.000 3.521 859 S HA -0.205 4.263 4.470 -0.003 0.000 0.328 859 S C 0.045 174.867 174.600 0.369 0.000 1.165 859 S CA 0.567 58.933 58.200 0.276 0.000 0.941 859 S CB -1.242 62.050 63.200 0.154 0.000 0.951 859 S HN 0.430 nan 8.310 nan 0.000 0.539 860 L N 1.563 122.938 121.223 0.253 0.000 2.298 860 L HA 0.536 4.875 4.340 -0.003 0.000 0.284 860 L C -0.231 176.444 176.870 -0.325 0.000 1.013 860 L CA -0.513 54.288 54.840 -0.065 0.000 0.824 860 L CB 1.468 43.464 42.059 -0.105 0.000 1.221 860 L HN 0.081 nan 8.230 nan 0.000 0.418 861 D N 3.556 123.492 120.400 -0.774 0.000 2.217 861 D HA 0.349 4.987 4.640 -0.003 0.000 0.243 861 D C -0.122 175.793 176.300 -0.643 0.000 1.054 861 D CA -0.351 53.116 54.000 -0.889 0.000 0.838 861 D CB 1.525 41.495 40.800 -1.384 0.000 1.162 861 D HN 0.221 nan 8.370 nan 0.000 0.472 862 L N 3.473 124.436 121.223 -0.433 0.000 3.229 862 L HA 0.178 4.516 4.340 -0.003 0.000 0.286 862 L C 0.324 177.091 176.870 -0.171 0.000 1.239 862 L CA -0.162 54.464 54.840 -0.358 0.000 1.035 862 L CB -0.799 40.906 42.059 -0.591 0.000 1.408 862 L HN 0.677 nan 8.230 nan 0.000 0.593 863 C N 1.041 120.245 119.300 -0.160 0.000 3.989 863 C HA -0.215 4.243 4.460 -0.003 0.000 0.297 863 C C 1.406 176.432 174.990 0.059 0.000 1.435 863 C CA 0.012 59.002 59.018 -0.046 0.000 2.040 863 C CB -3.061 24.674 27.740 -0.007 0.000 1.308 863 C HN 0.306 nan 8.230 nan 0.000 0.704 864 L N -0.169 121.065 121.223 0.019 0.000 2.439 864 L HA 0.274 4.612 4.340 -0.003 0.000 0.269 864 L C 0.484 177.454 176.870 0.166 0.000 1.179 864 L CA -0.148 54.720 54.840 0.046 0.000 0.828 864 L CB 0.233 42.201 42.059 -0.152 0.000 1.106 864 L HN 0.106 nan 8.230 nan 0.000 0.467 865 L N 5.322 126.748 121.223 0.339 0.000 2.426 865 L HA 0.325 4.663 4.340 -0.003 0.000 0.255 865 L C -1.987 175.012 176.870 0.215 0.000 1.080 865 L CA -1.611 53.314 54.840 0.141 0.000 0.960 865 L CB 0.624 42.577 42.059 -0.176 0.000 1.326 865 L HN 0.296 nan 8.230 nan 0.000 0.441 866 P HA 0.121 nan 4.420 nan 0.000 0.260 866 P C -0.638 176.592 177.300 -0.117 0.000 1.651 866 P CA -0.332 62.751 63.100 -0.029 0.000 1.139 866 P CB -0.537 31.133 31.700 -0.049 0.000 1.756 867 Y N 0.658 120.971 120.300 0.022 0.000 2.426 867 Y HA 0.483 5.031 4.550 -0.003 0.000 0.344 867 Y C 1.124 176.957 175.900 -0.112 0.000 1.256 867 Y CA -1.040 57.013 58.100 -0.079 0.000 1.451 867 Y CB -0.454 37.934 38.460 -0.119 0.000 1.342 867 Y HN 0.313 nan 8.280 nan 0.000 0.600 868 G N -0.318 108.424 108.800 -0.096 0.000 2.554 868 G HA2 0.303 4.261 3.960 -0.003 0.000 0.238 868 G HA3 0.303 4.261 3.960 -0.003 0.000 0.238 868 G C -1.202 173.577 174.900 -0.202 0.000 1.259 868 G CA 0.009 44.966 45.100 -0.237 0.000 0.843 868 G HN 1.164 nan 8.290 nan 0.000 0.582 869 C N 3.223 122.486 119.300 -0.062 0.000 3.073 869 C HA 0.452 4.910 4.460 -0.003 0.000 0.412 869 C C -1.257 173.764 174.990 0.052 0.000 1.040 869 C CA -0.996 58.023 59.018 0.001 0.000 1.254 869 C CB -0.466 27.291 27.740 0.028 0.000 1.642 869 C HN 0.618 nan 8.230 nan 0.000 0.530 870 I N 4.886 125.482 120.570 0.043 0.000 2.466 870 I HA 0.313 4.481 4.170 -0.003 0.000 0.289 870 I C 0.579 176.700 176.117 0.006 0.000 1.026 870 I CA 0.090 61.420 61.300 0.051 0.000 1.078 870 I CB 2.054 40.032 38.000 -0.037 0.000 1.249 870 I HN 0.678 nan 8.210 nan 0.000 0.429 871 S N 3.234 118.965 115.700 0.053 0.000 2.549 871 S HA 0.240 4.708 4.470 -0.003 0.000 0.279 871 S C 1.148 175.811 174.600 0.106 0.000 1.321 871 S CA -0.140 58.094 58.200 0.057 0.000 1.054 871 S CB 0.658 63.889 63.200 0.052 0.000 0.899 871 S HN 0.788 nan 8.310 nan 0.000 0.497 872 T N 0.764 115.382 114.554 0.107 0.000 2.964 872 T HA 0.494 4.842 4.350 -0.003 0.000 0.249 872 T C 0.763 175.577 174.700 0.190 0.000 1.000 872 T CA 0.198 62.426 62.100 0.214 0.000 0.992 872 T CB 0.350 69.319 68.868 0.168 0.000 1.087 872 T HN 0.708 nan 8.240 nan 0.000 0.489 873 G N 0.619 109.497 108.800 0.130 0.000 2.561 873 G HA2 0.454 4.412 3.960 -0.003 0.000 0.310 873 G HA3 0.454 4.412 3.960 -0.003 0.000 0.310 873 G C -2.118 172.838 174.900 0.094 0.000 1.292 873 G CA -0.721 44.443 45.100 0.106 0.000 0.811 873 G HN 0.097 nan 8.290 nan 0.000 0.482 874 D N 0.452 120.903 120.400 0.085 0.000 2.339 874 D HA 0.322 4.961 4.640 -0.003 0.000 0.256 874 D C 0.576 176.958 176.300 0.136 0.000 1.214 874 D CA 0.240 54.296 54.000 0.094 0.000 0.877 874 D CB 0.297 41.147 40.800 0.084 0.000 1.111 874 D HN 0.497 nan 8.370 nan 0.000 0.478 875 K N 2.010 122.498 120.400 0.147 0.000 3.096 875 K HA -0.198 4.120 4.320 -0.003 0.000 0.266 875 K C -0.756 176.009 176.600 0.276 0.000 1.043 875 K CA 0.461 56.862 56.287 0.190 0.000 0.758 875 K CB -1.191 31.444 32.500 0.225 0.000 1.260 875 K HN 0.662 nan 8.250 nan 0.000 0.481 876 I N -1.972 118.712 120.570 0.191 0.000 2.842 876 I HA 0.541 4.709 4.170 -0.003 0.000 0.296 876 I C -0.415 175.767 176.117 0.109 0.000 1.538 876 I CA 0.022 61.439 61.300 0.194 0.000 0.994 876 I CB 2.054 40.178 38.000 0.207 0.000 1.372 876 I HN 0.202 nan 8.210 nan 0.000 0.478 877 G N 5.622 114.461 108.800 0.064 0.000 2.317 877 G HA2 0.413 4.371 3.960 -0.003 0.000 0.293 877 G HA3 0.413 4.371 3.960 -0.003 0.000 0.293 877 G C -1.806 172.948 174.900 -0.245 0.000 1.287 877 G CA -0.277 44.792 45.100 -0.052 0.000 0.850 877 G HN 0.806 nan 8.290 nan 0.000 0.515 878 M N -0.934 118.471 119.600 -0.324 0.000 2.727 878 M HA 0.916 5.395 4.480 -0.003 0.000 0.300 878 M C -1.556 174.641 176.300 -0.172 0.000 1.246 878 M CA -0.988 54.051 55.300 -0.435 0.000 0.835 878 M CB 2.271 34.412 32.600 -0.765 0.000 1.755 878 M HN 0.541 nan 8.290 nan 0.000 0.473 879 I N 0.346 120.823 120.570 -0.156 0.000 2.722 879 I HA 0.354 4.522 4.170 -0.003 0.000 0.295 879 I C -0.728 175.219 176.117 -0.284 0.000 1.161 879 I CA -0.608 60.595 61.300 -0.161 0.000 1.032 879 I CB 2.476 40.420 38.000 -0.094 0.000 1.244 879 I HN 0.811 nan 8.210 nan 0.000 0.421 880 E N 5.556 125.445 120.200 -0.519 0.000 2.313 880 E HA 0.376 4.724 4.350 -0.003 0.000 0.276 880 E C -1.035 175.383 176.600 -0.304 0.000 1.031 880 E CA -0.472 55.603 56.400 -0.541 0.000 0.857 880 E CB 1.103 30.372 29.700 -0.718 0.000 1.040 880 E HN 0.444 nan 8.360 nan 0.000 0.408 881 I N 5.023 125.453 120.570 -0.233 0.000 2.301 881 I HA 0.083 4.251 4.170 -0.003 0.000 0.292 881 I C -0.204 175.831 176.117 -0.137 0.000 1.046 881 I CA -0.683 60.446 61.300 -0.286 0.000 1.282 881 I CB 1.327 39.023 38.000 -0.506 0.000 1.409 881 I HN 0.305 nan 8.210 nan 0.000 0.484 882 V N 7.351 127.203 119.914 -0.104 0.000 2.479 882 V HA 0.024 4.142 4.120 -0.003 0.000 0.281 882 V C 0.599 176.728 176.094 0.058 0.000 1.031 882 V CA -0.215 62.058 62.300 -0.044 0.000 1.038 882 V CB 0.682 32.418 31.823 -0.146 0.000 0.981 882 V HN 0.555 nan 8.190 nan 0.000 0.478 883 K N 3.750 124.194 120.400 0.073 0.000 2.382 883 K HA 0.121 4.439 4.320 -0.003 0.000 0.275 883 K C 0.595 177.294 176.600 0.165 0.000 1.009 883 K CA 0.462 56.823 56.287 0.123 0.000 0.970 883 K CB -0.078 32.486 32.500 0.106 0.000 0.934 883 K HN 0.775 nan 8.250 nan 0.000 0.479 884 D N -0.147 120.375 120.400 0.203 0.000 2.907 884 D HA -0.211 4.427 4.640 -0.003 0.000 0.226 884 D C -0.763 175.712 176.300 0.292 0.000 1.141 884 D CA 1.100 55.233 54.000 0.222 0.000 0.779 884 D CB -1.054 39.849 40.800 0.173 0.000 1.095 884 D HN 0.521 nan 8.370 nan 0.000 0.430 885 A N 0.013 123.018 122.820 0.309 0.000 2.306 885 A HA 0.770 5.088 4.320 -0.003 0.000 0.330 885 A C 0.344 178.080 177.584 0.254 0.000 1.146 885 A CA -0.032 52.207 52.037 0.336 0.000 0.827 885 A CB 1.626 20.885 19.000 0.432 0.000 1.178 885 A HN 0.032 nan 8.150 nan 0.000 0.490 886 T N 0.753 115.383 114.554 0.126 0.000 2.993 886 T HA 0.398 4.746 4.350 -0.003 0.000 0.312 886 T C -0.253 174.337 174.700 -0.182 0.000 1.115 886 T CA -0.348 61.743 62.100 -0.015 0.000 1.027 886 T CB 1.485 70.335 68.868 -0.031 0.000 1.116 886 T HN 0.603 nan 8.240 nan 0.000 0.464 887 T N 2.263 116.726 114.554 -0.151 0.000 2.930 887 T HA 0.180 4.528 4.350 -0.003 0.000 0.306 887 T C 1.621 176.200 174.700 -0.201 0.000 1.045 887 T CA -0.124 61.870 62.100 -0.177 0.000 1.134 887 T CB 0.187 68.987 68.868 -0.113 0.000 0.961 887 T HN 0.436 nan 8.240 nan 0.000 0.545 888 I N 3.327 123.795 120.570 -0.171 0.000 2.315 888 I HA -0.085 4.083 4.170 -0.003 0.000 0.248 888 I C 2.413 178.502 176.117 -0.046 0.000 1.117 888 I CA 1.155 62.391 61.300 -0.106 0.000 1.404 888 I CB -0.312 37.715 38.000 0.046 0.000 1.071 888 I HN 0.812 nan 8.210 nan 0.000 0.419 889 A N -0.097 122.709 122.820 -0.024 0.000 2.019 889 A HA -0.271 4.047 4.320 -0.003 0.000 0.219 889 A C 2.262 179.841 177.584 -0.007 0.000 1.164 889 A CA 1.973 54.030 52.037 0.034 0.000 0.644 889 A CB -0.485 18.555 19.000 0.066 0.000 0.805 889 A HN 0.336 nan 8.150 nan 0.000 0.449 890 K N 0.214 120.581 120.400 -0.055 0.000 2.062 890 K HA 0.039 4.357 4.320 -0.003 0.000 0.205 890 K C 1.465 178.021 176.600 -0.074 0.000 1.051 890 K CA 1.446 57.699 56.287 -0.058 0.000 0.941 890 K CB -0.486 31.975 32.500 -0.065 0.000 0.719 890 K HN 0.440 nan 8.250 nan 0.000 0.440 891 I N 1.018 121.492 120.570 -0.160 0.000 2.454 891 I HA -0.232 3.936 4.170 -0.003 0.000 0.254 891 I C 2.228 178.321 176.117 -0.041 0.000 1.156 891 I CA 1.016 62.202 61.300 -0.189 0.000 1.433 891 I CB -0.177 37.534 38.000 -0.481 0.000 1.082 891 I HN 0.260 nan 8.210 nan 0.000 0.432 892 Q N 0.316 120.102 119.800 -0.023 0.000 2.269 892 Q HA -0.097 4.241 4.340 -0.003 0.000 0.201 892 Q C 1.443 177.398 176.000 -0.076 0.000 0.946 892 Q CA 0.814 56.608 55.803 -0.016 0.000 0.877 892 Q CB 0.023 28.779 28.738 0.029 0.000 0.963 892 Q HN 0.611 nan 8.270 nan 0.000 0.472 893 Q N 0.136 119.900 119.800 -0.060 0.000 2.291 893 Q HA 0.093 4.432 4.340 -0.003 0.000 0.211 893 Q C 1.444 177.425 176.000 -0.031 0.000 0.925 893 Q CA -0.237 55.529 55.803 -0.061 0.000 0.949 893 Q CB 0.268 28.982 28.738 -0.039 0.000 1.015 893 Q HN 0.155 nan 8.270 nan 0.000 0.477 894 S N 0.371 116.066 115.700 -0.009 0.000 2.401 894 S HA -0.184 4.284 4.470 -0.003 0.000 0.236 894 S C 1.159 175.760 174.600 0.001 0.000 1.058 894 S CA 1.783 59.996 58.200 0.022 0.000 1.151 894 S CB -0.102 63.127 63.200 0.048 0.000 1.049 894 S HN 0.511 nan 8.310 nan 0.000 0.432 895 T N -0.187 114.355 114.554 -0.021 0.000 2.844 895 T HA 0.505 4.854 4.350 -0.003 0.000 0.274 895 T C 1.416 176.083 174.700 -0.054 0.000 0.991 895 T CA -0.276 61.804 62.100 -0.033 0.000 0.983 895 T CB 0.865 69.712 68.868 -0.035 0.000 1.310 895 T HN 0.023 nan 8.240 nan 0.000 0.596 896 V N 0.566 120.445 119.914 -0.058 0.000 2.549 896 V HA -0.343 3.776 4.120 -0.003 0.000 0.199 896 V C 1.860 177.897 176.094 -0.094 0.000 0.987 896 V CA 2.476 64.732 62.300 -0.074 0.000 1.091 896 V CB -2.158 29.613 31.823 -0.087 0.000 1.069 896 V HN 1.937 nan 8.190 nan 0.000 0.482 897 G N 0.932 109.653 108.800 -0.132 0.000 2.324 897 G HA2 -0.320 3.639 3.960 -0.003 0.000 0.292 897 G HA3 -0.320 3.639 3.960 -0.003 0.000 0.292 897 G C -0.053 174.718 174.900 -0.213 0.000 1.079 897 G CA 0.407 45.394 45.100 -0.189 0.000 1.026 897 G HN 0.906 nan 8.290 nan 0.000 0.506 898 N N 1.066 119.634 118.700 -0.219 0.000 2.309 898 N HA 0.045 4.783 4.740 -0.003 0.000 0.293 898 N C 1.492 176.829 175.510 -0.289 0.000 1.327 898 N CA 1.428 54.352 53.050 -0.209 0.000 1.054 898 N CB -0.456 37.921 38.487 -0.183 0.000 1.474 898 N HN 0.815 nan 8.380 nan 0.000 0.486 899 T N 0.838 115.217 114.554 -0.291 0.000 3.978 899 T HA -0.215 4.134 4.350 -0.003 0.000 0.338 899 T C 0.856 174.920 174.700 -1.060 0.000 0.775 899 T CA 1.122 62.932 62.100 -0.483 0.000 1.866 899 T CB -1.865 66.784 68.868 -0.365 0.000 1.932 899 T HN 0.846 nan 8.240 nan 0.000 0.801 900 G N -1.080 107.294 108.800 -0.709 0.000 2.188 900 G HA2 0.393 4.351 3.960 -0.003 0.000 0.112 900 G HA3 0.393 4.351 3.960 -0.003 0.000 0.112 900 G C 0.043 174.565 174.900 -0.630 0.000 1.048 900 G CA 0.002 44.730 45.100 -0.620 0.000 0.720 900 G HN 1.544 nan 8.290 nan 0.000 0.487 901 A N -0.218 122.241 122.820 -0.602 0.000 2.483 901 A HA 0.756 5.075 4.320 -0.003 0.000 0.238 901 A C -0.298 176.765 177.584 -0.868 0.000 1.070 901 A CA 0.513 52.233 52.037 -0.529 0.000 0.770 901 A CB 0.273 19.064 19.000 -0.348 0.000 1.008 901 A HN 0.922 nan 8.150 nan 0.000 0.497 902 F N 0.442 120.141 119.950 -0.419 0.000 2.581 902 F HA 0.503 5.029 4.527 -0.003 0.000 0.311 902 F C -0.012 175.437 175.800 -0.585 0.000 1.113 902 F CA -0.569 57.005 58.000 -0.710 0.000 0.935 902 F CB 2.675 40.861 39.000 -1.357 0.000 1.232 902 F HN 0.586 nan 8.300 nan 0.000 0.445 903 K N 1.613 121.910 120.400 -0.170 0.000 2.553 903 K HA 0.357 4.675 4.320 -0.003 0.000 0.250 903 K C -1.106 175.610 176.600 0.194 0.000 0.953 903 K CA -0.865 55.427 56.287 0.008 0.000 0.800 903 K CB 2.447 34.932 32.500 -0.024 0.000 1.243 903 K HN 0.307 nan 8.250 nan 0.000 0.435 904 D N 1.836 122.372 120.400 0.226 0.000 2.123 904 D HA -0.158 4.481 4.640 -0.003 0.000 0.196 904 D C 0.809 177.145 176.300 0.060 0.000 0.992 904 D CA 1.564 55.695 54.000 0.219 0.000 0.833 904 D CB 0.343 41.172 40.800 0.049 0.000 0.954 904 D HN 0.626 nan 8.370 nan 0.000 0.455 905 E N -0.036 120.064 120.200 -0.167 0.000 2.481 905 E HA -0.001 4.347 4.350 -0.003 0.000 0.195 905 E C 1.956 178.619 176.600 0.107 0.000 1.047 905 E CA -0.050 56.107 56.400 -0.405 0.000 0.867 905 E CB 0.568 29.887 29.700 -0.634 0.000 0.858 905 E HN 0.138 nan 8.360 nan 0.000 0.513 906 V N 1.438 121.457 119.914 0.175 0.000 2.379 906 V HA -0.222 3.896 4.120 -0.003 0.000 0.245 906 V C 2.306 178.572 176.094 0.286 0.000 1.044 906 V CA 1.172 63.613 62.300 0.234 0.000 1.036 906 V CB -0.362 31.566 31.823 0.174 0.000 0.664 906 V HN 0.315 nan 8.190 nan 0.000 0.453 907 L N 0.268 121.649 121.223 0.263 0.000 2.079 907 L HA -0.243 4.096 4.340 -0.003 0.000 0.210 907 L C 2.530 179.557 176.870 0.263 0.000 1.081 907 L CA 1.840 56.811 54.840 0.218 0.000 0.752 907 L CB -0.513 41.624 42.059 0.131 0.000 0.896 907 L HN 0.485 nan 8.230 nan 0.000 0.433 908 N N -0.968 117.880 118.700 0.247 0.000 2.188 908 N HA -0.213 4.525 4.740 -0.003 0.000 0.184 908 N C 1.722 177.363 175.510 0.218 0.000 1.018 908 N CA 1.153 54.320 53.050 0.195 0.000 0.858 908 N CB -0.004 38.517 38.487 0.057 0.000 0.989 908 N HN 0.507 nan 8.380 nan 0.000 0.426 909 H N -1.781 117.432 119.070 0.239 0.000 2.389 909 H HA -0.142 4.412 4.556 -0.003 0.000 0.299 909 H C 1.601 177.027 175.328 0.164 0.000 1.081 909 H CA 1.328 57.465 56.048 0.150 0.000 1.345 909 H CB -0.063 29.784 29.762 0.142 0.000 1.393 909 H HN 0.360 nan 8.280 nan 0.000 0.520 910 W N 1.082 122.499 121.300 0.196 0.000 2.374 910 W HA -0.163 4.495 4.660 -0.003 0.000 0.288 910 W C 1.494 178.086 176.519 0.122 0.000 1.218 910 W CA 1.182 58.604 57.345 0.128 0.000 1.245 910 W CB -0.194 29.332 29.460 0.111 0.000 1.126 910 W HN 0.107 nan 8.180 nan 0.000 0.545 911 L N 0.295 121.726 121.223 0.347 0.000 2.156 911 L HA -0.127 4.212 4.340 -0.003 0.000 0.208 911 L C 2.410 179.382 176.870 0.171 0.000 1.095 911 L CA 1.366 56.371 54.840 0.275 0.000 0.770 911 L CB -0.657 41.663 42.059 0.434 0.000 0.914 911 L HN -0.168 nan 8.230 nan 0.000 0.439 912 K N -0.216 120.224 120.400 0.066 0.000 2.228 912 K HA -0.161 4.157 4.320 -0.003 0.000 0.202 912 K C 2.083 178.630 176.600 -0.088 0.000 1.051 912 K CA 0.731 56.964 56.287 -0.090 0.000 0.960 912 K CB 0.134 32.484 32.500 -0.250 0.000 0.743 912 K HN 0.190 nan 8.250 nan 0.000 0.458 913 E N 0.443 120.567 120.200 -0.127 0.000 2.072 913 E HA -0.163 4.185 4.350 -0.003 0.000 0.191 913 E C 0.676 177.153 176.600 -0.205 0.000 0.985 913 E CA 0.989 57.285 56.400 -0.174 0.000 0.801 913 E CB 0.296 29.860 29.700 -0.226 0.000 0.750 913 E HN 0.050 nan 8.360 nan 0.000 0.452 914 K N 0.374 120.595 120.400 -0.298 0.000 2.476 914 K HA 0.088 4.406 4.320 -0.003 0.000 0.196 914 K C 0.205 176.736 176.600 -0.116 0.000 1.025 914 K CA 0.070 56.197 56.287 -0.267 0.000 1.138 914 K CB 0.730 32.950 32.500 -0.467 0.000 0.860 914 K HN -0.127 nan 8.250 nan 0.000 0.515 915 S N 1.760 117.425 115.700 -0.057 0.000 2.399 915 S HA 0.327 4.795 4.470 -0.003 0.000 0.215 915 S C -2.142 172.463 174.600 0.009 0.000 1.456 915 S CA -1.421 56.788 58.200 0.015 0.000 1.199 915 S CB 0.964 64.230 63.200 0.110 0.000 1.063 915 S HN -0.135 nan 8.310 nan 0.000 0.476 916 P HA -0.038 nan 4.420 nan 0.000 0.218 916 P C 0.516 177.819 177.300 0.004 0.000 1.146 916 P CA 1.155 64.251 63.100 -0.007 0.000 0.813 916 P CB -0.061 31.635 31.700 -0.006 0.000 0.778 917 T N -4.120 110.448 114.554 0.023 0.000 2.888 917 T HA 0.290 4.638 4.350 -0.003 0.000 0.284 917 T C 0.904 175.642 174.700 0.063 0.000 1.017 917 T CA -0.847 61.273 62.100 0.032 0.000 1.022 917 T CB 2.104 70.991 68.868 0.032 0.000 1.013 917 T HN -0.177 nan 8.240 nan 0.000 0.465 918 E N 0.761 120.997 120.200 0.060 0.000 2.209 918 E HA -0.203 4.145 4.350 -0.003 0.000 0.196 918 E C 1.618 178.316 176.600 0.164 0.000 0.993 918 E CA 1.089 57.553 56.400 0.107 0.000 0.819 918 E CB 0.043 29.782 29.700 0.065 0.000 0.745 918 E HN 0.920 nan 8.360 nan 0.000 0.477 919 E N 0.691 120.953 120.200 0.103 0.000 2.051 919 E HA -0.203 4.146 4.350 -0.003 0.000 0.192 919 E C 1.726 178.376 176.600 0.084 0.000 0.991 919 E CA 1.185 57.636 56.400 0.085 0.000 0.799 919 E CB 0.081 29.813 29.700 0.053 0.000 0.748 919 E HN 0.132 nan 8.360 nan 0.000 0.449 920 K N -0.316 120.134 120.400 0.084 0.000 2.288 920 K HA -0.101 4.217 4.320 -0.003 0.000 0.201 920 K C 1.873 178.526 176.600 0.089 0.000 1.048 920 K CA 0.797 57.124 56.287 0.068 0.000 0.956 920 K CB -0.221 32.313 32.500 0.057 0.000 0.746 920 K HN 0.145 nan 8.250 nan 0.000 0.461 921 F N 2.262 122.216 119.950 0.006 0.000 2.146 921 F HA -0.182 4.343 4.527 -0.003 0.000 0.298 921 F C 2.018 177.821 175.800 0.004 0.000 1.096 921 F CA 1.461 59.462 58.000 0.002 0.000 1.275 921 F CB 0.037 39.035 39.000 -0.004 0.000 1.008 921 F HN -0.037 nan 8.300 nan 0.000 0.480 922 Q N 0.313 120.014 119.800 -0.166 0.000 2.230 922 Q HA -0.028 4.311 4.340 -0.003 0.000 0.202 922 Q C 2.460 178.351 176.000 -0.182 0.000 0.963 922 Q CA 1.062 56.715 55.803 -0.250 0.000 0.866 922 Q CB -0.607 28.136 28.738 0.009 0.000 0.931 922 Q HN 0.558 nan 8.270 nan 0.000 0.452 923 A N 1.221 123.989 122.820 -0.086 0.000 1.972 923 A HA -0.045 4.273 4.320 -0.003 0.000 0.219 923 A C 2.296 179.844 177.584 -0.059 0.000 1.169 923 A CA 1.557 53.571 52.037 -0.039 0.000 0.635 923 A CB -0.405 18.596 19.000 0.000 0.000 0.810 923 A HN 0.352 nan 8.150 nan 0.000 0.446 924 A N -0.714 122.033 122.820 -0.122 0.000 1.929 924 A HA 0.094 4.412 4.320 -0.003 0.000 0.216 924 A C 2.137 179.633 177.584 -0.147 0.000 1.176 924 A CA 1.569 53.549 52.037 -0.094 0.000 0.628 924 A CB -0.634 18.318 19.000 -0.079 0.000 0.816 924 A HN 0.354 nan 8.150 nan 0.000 0.444 925 V N -0.356 119.335 119.914 -0.372 0.000 2.591 925 V HA -0.166 3.952 4.120 -0.003 0.000 0.249 925 V C 2.392 178.327 176.094 -0.265 0.000 1.053 925 V CA 2.100 64.168 62.300 -0.387 0.000 1.068 925 V CB -0.574 30.850 31.823 -0.665 0.000 0.689 925 V HN 0.593 nan 8.190 nan 0.000 0.462 926 E N 0.227 120.290 120.200 -0.229 0.000 2.072 926 E HA -0.202 4.146 4.350 -0.003 0.000 0.191 926 E C 2.399 179.014 176.600 0.025 0.000 0.985 926 E CA 1.113 57.437 56.400 -0.127 0.000 0.801 926 E CB -0.193 29.509 29.700 0.003 0.000 0.750 926 E HN 0.408 nan 8.360 nan 0.000 0.452 927 R N -0.720 119.832 120.500 0.087 0.000 2.120 927 R HA -0.137 4.202 4.340 -0.003 0.000 0.234 927 R C 1.987 178.381 176.300 0.156 0.000 1.123 927 R CA 1.270 57.463 56.100 0.156 0.000 0.975 927 R CB -0.270 30.098 30.300 0.114 0.000 0.866 927 R HN 0.249 nan 8.270 nan 0.000 0.446 928 F N -0.336 119.593 119.950 -0.035 0.000 2.367 928 F HA -0.014 4.512 4.527 -0.003 0.000 0.298 928 F C 1.479 177.254 175.800 -0.042 0.000 1.094 928 F CA 0.684 58.654 58.000 -0.050 0.000 1.409 928 F CB 0.211 39.139 39.000 -0.119 0.000 1.064 928 F HN -0.195 nan 8.300 nan 0.000 0.528 929 V N -0.490 119.396 119.914 -0.046 0.000 2.535 929 V HA -0.242 3.876 4.120 -0.003 0.000 0.246 929 V C 1.913 177.922 176.094 -0.140 0.000 1.045 929 V CA 1.696 63.937 62.300 -0.098 0.000 1.058 929 V CB -0.887 30.860 31.823 -0.126 0.000 0.689 929 V HN 0.358 nan 8.190 nan 0.000 0.461 930 Y N 1.257 121.512 120.300 -0.076 0.000 2.163 930 Y HA -0.239 4.309 4.550 -0.003 0.000 0.288 930 Y C 2.935 178.750 175.900 -0.143 0.000 1.136 930 Y CA 1.673 59.689 58.100 -0.140 0.000 1.147 930 Y CB -0.334 38.039 38.460 -0.145 0.000 0.987 930 Y HN 0.403 nan 8.280 nan 0.000 0.509 931 S N -1.317 114.425 115.700 0.071 0.000 2.355 931 S HA -0.249 4.219 4.470 -0.003 0.000 0.222 931 S C 2.095 176.756 174.600 0.101 0.000 1.031 931 S CA 1.000 59.266 58.200 0.110 0.000 0.993 931 S CB -1.294 62.011 63.200 0.175 0.000 0.859 931 S HN 0.590 nan 8.310 nan 0.000 0.453 932 C N 2.134 121.341 119.300 -0.155 0.000 2.411 932 C HA 0.169 4.628 4.460 -0.003 0.000 0.279 932 C C 3.063 178.147 174.990 0.157 0.000 1.288 932 C CA 0.865 59.801 59.018 -0.136 0.000 1.764 932 C CB -1.805 25.569 27.740 -0.611 0.000 1.974 932 C HN 0.700 nan 8.230 nan 0.000 0.498 933 A N -0.023 122.839 122.820 0.071 0.000 1.930 933 A HA 0.199 4.517 4.320 -0.003 0.000 0.215 933 A C 2.428 179.907 177.584 -0.175 0.000 1.176 933 A CA 1.734 53.684 52.037 -0.146 0.000 0.632 933 A CB -1.256 17.508 19.000 -0.393 0.000 0.819 933 A HN 0.625 nan 8.150 nan 0.000 0.445 934 G N -1.777 106.924 108.800 -0.165 0.000 2.402 934 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.216 934 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.216 934 G C 1.440 176.294 174.900 -0.076 0.000 1.162 934 G CA 1.038 45.995 45.100 -0.237 0.000 0.777 934 G HN 0.558 nan 8.290 nan 0.000 0.539 935 Y N -0.320 120.016 120.300 0.061 0.000 2.457 935 Y HA -0.003 4.546 4.550 -0.003 0.000 0.292 935 Y C 2.948 178.845 175.900 -0.005 0.000 1.125 935 Y CA 0.233 58.358 58.100 0.043 0.000 1.254 935 Y CB 0.004 38.526 38.460 0.104 0.000 1.012 935 Y HN 0.224 nan 8.280 nan 0.000 0.555 936 C N -1.217 118.161 119.300 0.131 0.000 2.476 936 C HA -0.110 4.348 4.460 -0.003 0.000 0.278 936 C C 2.682 177.628 174.990 -0.073 0.000 1.274 936 C CA 0.881 59.844 59.018 -0.091 0.000 1.713 936 C CB -0.901 26.676 27.740 -0.271 0.000 2.039 936 C HN 0.328 nan 8.230 nan 0.000 0.484 937 V N 1.167 121.110 119.914 0.048 0.000 2.323 937 V HA -0.133 3.986 4.120 -0.003 0.000 0.244 937 V C 2.699 178.955 176.094 0.271 0.000 1.041 937 V CA 2.098 64.499 62.300 0.168 0.000 1.025 937 V CB -1.268 30.570 31.823 0.026 0.000 0.656 937 V HN 0.567 nan 8.190 nan 0.000 0.451 938 A N -0.839 122.119 122.820 0.230 0.000 1.908 938 A HA -0.283 4.036 4.320 -0.003 0.000 0.218 938 A C 2.437 180.115 177.584 0.156 0.000 1.181 938 A CA 2.722 54.854 52.037 0.158 0.000 0.627 938 A CB -0.952 18.096 19.000 0.080 0.000 0.818 938 A HN 0.458 nan 8.150 nan 0.000 0.445 939 T N -1.894 112.773 114.554 0.187 0.000 2.942 939 T HA -0.041 4.307 4.350 -0.003 0.000 0.265 939 T C 1.515 176.429 174.700 0.356 0.000 1.062 939 T CA 1.302 63.539 62.100 0.228 0.000 1.139 939 T CB -0.370 68.610 68.868 0.187 0.000 0.883 939 T HN 0.437 nan 8.240 nan 0.000 0.468 940 F N 1.413 121.526 119.950 0.272 0.000 2.146 940 F HA 0.018 4.543 4.527 -0.003 0.000 0.298 940 F C 2.086 178.122 175.800 0.392 0.000 1.096 940 F CA 0.704 58.927 58.000 0.372 0.000 1.275 940 F CB -0.727 38.506 39.000 0.388 0.000 1.008 940 F HN -0.044 nan 8.300 nan 0.000 0.480 941 V N 0.685 120.698 119.914 0.165 0.000 2.358 941 V HA -0.258 3.860 4.120 -0.003 0.000 0.246 941 V C 2.262 178.369 176.094 0.022 0.000 1.047 941 V CA 1.839 64.147 62.300 0.014 0.000 1.035 941 V CB -0.582 31.303 31.823 0.103 0.000 0.658 941 V HN 0.336 nan 8.190 nan 0.000 0.452 942 L N 0.147 121.434 121.223 0.107 0.000 2.591 942 L HA 0.315 4.653 4.340 -0.003 0.000 0.228 942 L C 1.625 178.574 176.870 0.132 0.000 1.133 942 L CA 0.706 55.653 54.840 0.178 0.000 0.880 942 L CB -0.486 41.677 42.059 0.174 0.000 1.033 942 L HN 0.519 nan 8.230 nan 0.000 0.450 943 G N 2.091 110.899 108.800 0.015 0.000 2.249 943 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.273 943 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.273 943 G C 0.477 175.378 174.900 0.002 0.000 1.036 943 G CA 0.669 45.594 45.100 -0.292 0.000 0.824 943 G HN 0.622 nan 8.290 nan 0.000 0.504 944 I N -3.690 116.994 120.570 0.191 0.000 3.283 944 I HA 0.647 4.815 4.170 -0.003 0.000 0.342 944 I C 1.216 177.558 176.117 0.375 0.000 1.510 944 I CA -0.091 61.401 61.300 0.320 0.000 1.006 944 I CB 0.475 38.698 38.000 0.372 0.000 1.596 944 I HN 0.004 nan 8.210 nan 0.000 0.509 945 G N -0.132 108.886 108.800 0.363 0.000 2.796 945 G HA2 0.028 3.987 3.960 -0.003 0.000 0.210 945 G HA3 0.028 3.987 3.960 -0.003 0.000 0.210 945 G C 0.308 175.446 174.900 0.398 0.000 1.146 945 G CA -0.072 45.287 45.100 0.431 0.000 0.779 945 G HN 0.358 nan 8.290 nan 0.000 0.535 946 D N 1.647 122.263 120.400 0.359 0.000 2.416 946 D HA 0.237 4.876 4.640 -0.003 0.000 0.240 946 D C -0.013 176.544 176.300 0.428 0.000 1.250 946 D CA 0.293 54.565 54.000 0.453 0.000 0.967 946 D CB 0.481 41.545 40.800 0.439 0.000 1.059 946 D HN 0.027 nan 8.370 nan 0.000 0.512 947 R N 1.559 122.178 120.500 0.198 0.000 2.744 947 R HA 0.273 4.612 4.340 -0.003 0.000 0.279 947 R C -0.347 175.631 176.300 -0.536 0.000 0.977 947 R CA -0.944 55.040 56.100 -0.193 0.000 0.906 947 R CB 1.190 31.513 30.300 0.038 0.000 1.197 947 R HN 0.423 nan 8.270 nan 0.000 0.463 948 H N 1.322 119.834 119.070 -0.931 0.000 2.707 948 H HA 0.139 4.694 4.556 -0.003 0.000 0.359 948 H C 1.128 176.259 175.328 -0.328 0.000 1.113 948 H CA 0.393 56.025 56.048 -0.694 0.000 1.422 948 H CB 0.807 30.113 29.762 -0.759 0.000 1.443 948 H HN 0.391 nan 8.280 nan 0.000 0.591 949 N N 2.421 120.778 118.700 -0.573 0.000 2.322 949 N HA -0.215 4.524 4.740 -0.003 0.000 0.189 949 N C 1.030 176.451 175.510 -0.148 0.000 1.012 949 N CA 1.611 54.493 53.050 -0.280 0.000 0.880 949 N CB -0.081 38.286 38.487 -0.200 0.000 0.967 949 N HN 0.718 nan 8.380 nan 0.000 0.439 950 D N 0.239 120.618 120.400 -0.036 0.000 2.194 950 D HA -0.001 4.637 4.640 -0.003 0.000 0.204 950 D C 0.321 176.544 176.300 -0.128 0.000 0.964 950 D CA 0.729 54.721 54.000 -0.012 0.000 0.846 950 D CB -0.086 40.757 40.800 0.071 0.000 0.962 950 D HN 0.276 nan 8.370 nan 0.000 0.490 951 N N -0.533 118.059 118.700 -0.180 0.000 2.389 951 N HA 0.240 4.979 4.740 -0.003 0.000 0.237 951 N C -0.782 174.516 175.510 -0.354 0.000 1.148 951 N CA -0.027 52.874 53.050 -0.247 0.000 0.854 951 N CB 0.656 39.005 38.487 -0.229 0.000 1.115 951 N HN 0.194 nan 8.380 nan 0.000 0.492 952 I N 0.658 121.012 120.570 -0.360 0.000 2.569 952 I HA 0.365 4.533 4.170 -0.003 0.000 0.290 952 I C -0.594 175.265 176.117 -0.430 0.000 1.088 952 I CA -0.568 60.448 61.300 -0.472 0.000 1.047 952 I CB 1.885 39.646 38.000 -0.398 0.000 1.237 952 I HN -0.115 nan 8.210 nan 0.000 0.421 953 M N 5.846 125.045 119.600 -0.668 0.000 2.761 953 M HA 0.656 5.134 4.480 -0.003 0.000 0.305 953 M C -1.089 174.920 176.300 -0.485 0.000 1.235 953 M CA -0.892 54.000 55.300 -0.680 0.000 0.850 953 M CB 3.283 35.245 32.600 -1.064 0.000 1.744 953 M HN 0.455 nan 8.290 nan 0.000 0.480 954 I N 0.446 120.895 120.570 -0.202 0.000 2.752 954 I HA 0.379 4.547 4.170 -0.003 0.000 0.295 954 I C -0.211 176.074 176.117 0.280 0.000 1.219 954 I CA -0.305 61.046 61.300 0.086 0.000 1.030 954 I CB 2.530 40.557 38.000 0.045 0.000 1.259 954 I HN 0.884 nan 8.210 nan 0.000 0.423 955 T N 1.359 116.156 114.554 0.406 0.000 2.754 955 T HA 0.267 4.616 4.350 -0.003 0.000 0.286 955 T C 0.858 175.832 174.700 0.456 0.000 0.997 955 T CA -0.344 61.993 62.100 0.396 0.000 0.982 955 T CB 1.040 70.083 68.868 0.292 0.000 1.027 955 T HN 0.684 nan 8.240 nan 0.000 0.529 956 E N -0.270 120.143 120.200 0.356 0.000 2.204 956 E HA -0.102 4.246 4.350 -0.003 0.000 0.195 956 E C 1.577 178.274 176.600 0.162 0.000 0.990 956 E CA 1.169 57.690 56.400 0.202 0.000 0.821 956 E CB -0.140 29.594 29.700 0.056 0.000 0.750 956 E HN 0.738 nan 8.360 nan 0.000 0.477 957 T N -1.025 113.633 114.554 0.172 0.000 3.312 957 T HA 0.232 4.580 4.350 -0.003 0.000 0.251 957 T C 0.979 175.771 174.700 0.155 0.000 1.012 957 T CA 0.655 62.833 62.100 0.130 0.000 0.925 957 T CB -0.324 68.601 68.868 0.094 0.000 1.049 957 T HN 0.364 nan 8.240 nan 0.000 0.583 958 G N 1.868 110.804 108.800 0.226 0.000 2.184 958 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.264 958 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.264 958 G C 0.162 175.225 174.900 0.272 0.000 0.975 958 G CA 0.043 45.284 45.100 0.234 0.000 0.642 958 G HN 0.603 nan 8.290 nan 0.000 0.536 959 N N 0.542 119.397 118.700 0.259 0.000 2.399 959 N HA 0.358 5.097 4.740 -0.003 0.000 0.259 959 N C 0.367 176.100 175.510 0.373 0.000 1.160 959 N CA -0.143 53.071 53.050 0.274 0.000 0.946 959 N CB 0.538 39.158 38.487 0.223 0.000 1.156 959 N HN 0.455 nan 8.380 nan 0.000 0.489 960 L N 4.954 126.356 121.223 0.298 0.000 2.417 960 L HA 0.500 4.838 4.340 -0.003 0.000 0.268 960 L C -0.622 176.441 176.870 0.322 0.000 1.158 960 L CA -0.119 54.839 54.840 0.197 0.000 0.819 960 L CB 0.210 42.246 42.059 -0.038 0.000 1.112 960 L HN 0.488 nan 8.230 nan 0.000 0.458 961 F N 0.661 120.508 119.950 -0.170 0.000 2.703 961 F HA 0.445 4.970 4.527 -0.003 0.000 0.308 961 F C -1.036 174.524 175.800 -0.399 0.000 1.126 961 F CA -1.071 56.585 58.000 -0.573 0.000 0.959 961 F CB 0.799 39.751 39.000 -0.080 0.000 1.297 961 F HN 0.390 nan 8.300 nan 0.000 0.441 962 H N 2.622 121.321 119.070 -0.619 0.000 2.505 962 H HA 0.746 5.300 4.556 -0.003 0.000 0.351 962 H C -0.275 175.000 175.328 -0.089 0.000 1.151 962 H CA -0.220 55.697 56.048 -0.218 0.000 1.339 962 H CB 2.336 32.169 29.762 0.119 0.000 1.483 962 H HN 0.761 nan 8.280 nan 0.000 0.558 963 I N -1.874 118.526 120.570 -0.282 0.000 3.206 963 I HA 0.315 4.483 4.170 -0.003 0.000 0.313 963 I C -0.317 175.369 176.117 -0.718 0.000 1.103 963 I CA -1.029 60.059 61.300 -0.354 0.000 0.985 963 I CB 1.951 39.827 38.000 -0.208 0.000 1.240 963 I HN 0.475 nan 8.210 nan 0.000 0.464 964 D N 1.292 121.383 120.400 -0.514 0.000 2.760 964 D HA -0.211 4.427 4.640 -0.003 0.000 0.244 964 D C -0.046 176.029 176.300 -0.374 0.000 1.123 964 D CA 0.736 54.538 54.000 -0.331 0.000 0.719 964 D CB -0.948 39.725 40.800 -0.211 0.000 1.045 964 D HN 0.590 nan 8.370 nan 0.000 0.426 965 F N -0.359 119.568 119.950 -0.039 0.000 2.816 965 F HA 0.211 4.737 4.527 -0.003 0.000 0.302 965 F C 2.272 177.867 175.800 -0.341 0.000 1.178 965 F CA 0.315 58.205 58.000 -0.183 0.000 1.421 965 F CB 0.168 39.114 39.000 -0.090 0.000 1.114 965 F HN 0.232 nan 8.300 nan 0.000 0.573 966 G N 0.556 109.294 108.800 -0.104 0.000 2.254 966 G HA2 0.174 4.133 3.960 -0.003 0.000 0.253 966 G HA3 0.174 4.133 3.960 -0.003 0.000 0.253 966 G C -0.367 174.449 174.900 -0.139 0.000 1.246 966 G CA -0.035 45.008 45.100 -0.095 0.000 0.946 966 G HN 0.244 nan 8.290 nan 0.000 0.474 982 R N 0.306 120.764 120.500 -0.070 0.000 2.902 982 R HA 0.798 5.137 4.340 -0.003 0.000 0.258 982 R C -1.060 175.202 176.300 -0.063 0.000 1.071 982 R CA -1.109 54.959 56.100 -0.054 0.000 1.024 982 R CB 2.131 32.429 30.300 -0.003 0.000 1.184 982 R HN 0.245 nan 8.270 nan 0.000 0.492 983 V N 2.287 122.177 119.914 -0.040 0.000 2.777 983 V HA 0.211 4.330 4.120 -0.003 0.000 0.306 983 V C -1.820 174.230 176.094 -0.073 0.000 1.112 983 V CA -1.866 60.369 62.300 -0.108 0.000 0.917 983 V CB 2.561 34.316 31.823 -0.113 0.000 1.018 983 V HN 0.643 nan 8.190 nan 0.000 0.426 984 P HA -0.002 nan 4.420 nan 0.000 0.218 984 P C -0.105 177.331 177.300 0.226 0.000 1.149 984 P CA 1.368 64.461 63.100 -0.012 0.000 0.817 984 P CB 0.029 31.524 31.700 -0.341 0.000 0.785 985 F N -4.778 115.239 119.950 0.112 0.000 2.926 985 F HA 0.478 5.004 4.527 -0.003 0.000 0.321 985 F C -1.373 174.509 175.800 0.138 0.000 1.168 985 F CA -1.721 56.389 58.000 0.183 0.000 0.890 985 F CB 0.378 39.499 39.000 0.202 0.000 1.357 985 F HN -0.490 nan 8.300 nan 0.000 0.468 986 V N 2.192 122.386 119.914 0.468 0.000 2.408 986 V HA 0.497 4.615 4.120 -0.003 0.000 0.267 986 V C -0.643 175.626 176.094 0.291 0.000 1.047 986 V CA -0.128 62.308 62.300 0.227 0.000 0.937 986 V CB 0.953 32.888 31.823 0.187 0.000 0.999 986 V HN 0.671 nan 8.190 nan 0.000 0.472 987 L N 6.347 127.574 121.223 0.007 0.000 2.613 987 L HA 0.374 4.712 4.340 -0.003 0.000 0.275 987 L C 0.583 177.286 176.870 -0.278 0.000 1.453 987 L CA 0.114 54.979 54.840 0.042 0.000 0.725 987 L CB 0.841 43.059 42.059 0.266 0.000 1.013 987 L HN 0.742 nan 8.230 nan 0.000 0.520 988 T N -1.243 112.919 114.554 -0.653 0.000 2.748 988 T HA 0.259 4.607 4.350 -0.003 0.000 0.304 988 T C -1.758 172.570 174.700 -0.620 0.000 1.041 988 T CA -1.050 60.592 62.100 -0.763 0.000 1.033 988 T CB 0.167 68.502 68.868 -0.890 0.000 0.995 988 T HN 0.170 nan 8.240 nan 0.000 0.536 989 P HA -0.119 nan 4.420 nan 0.000 0.221 989 P C 1.148 178.401 177.300 -0.078 0.000 1.145 989 P CA 1.061 63.880 63.100 -0.468 0.000 0.795 989 P CB -0.088 31.233 31.700 -0.631 0.000 0.775 990 D N -1.258 119.160 120.400 0.030 0.000 2.117 990 D HA -0.180 4.458 4.640 -0.003 0.000 0.198 990 D C 1.643 178.190 176.300 0.412 0.000 0.982 990 D CA 1.164 55.369 54.000 0.342 0.000 0.828 990 D CB -1.430 39.662 40.800 0.487 0.000 0.967 990 D HN 0.080 nan 8.370 nan 0.000 0.464 991 F N 0.723 120.752 119.950 0.133 0.000 2.171 991 F HA 0.070 4.595 4.527 -0.003 0.000 0.300 991 F C 2.403 178.294 175.800 0.151 0.000 1.090 991 F CA 0.279 58.432 58.000 0.256 0.000 1.293 991 F CB -0.911 38.263 39.000 0.290 0.000 1.013 991 F HN -0.010 nan 8.300 nan 0.000 0.486 992 L N -1.850 119.517 121.223 0.239 0.000 2.156 992 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 992 L C 2.315 179.248 176.870 0.104 0.000 1.095 992 L CA 0.611 55.502 54.840 0.086 0.000 0.770 992 L CB -0.730 41.289 42.059 -0.067 0.000 0.914 992 L HN 0.002 nan 8.230 nan 0.000 0.439 993 F N -0.000 119.960 119.950 0.017 0.000 2.365 993 F HA -0.111 4.415 4.527 -0.003 0.000 0.300 993 F C 1.984 177.791 175.800 0.011 0.000 1.090 993 F CA 0.906 58.913 58.000 0.012 0.000 1.408 993 F CB -0.156 38.859 39.000 0.025 0.000 1.060 993 F HN -0.219 nan 8.300 nan 0.000 0.534 994 V N 0.492 120.305 119.914 -0.168 0.000 2.453 994 V HA -0.270 3.848 4.120 -0.003 0.000 0.247 994 V C 2.144 178.124 176.094 -0.190 0.000 1.048 994 V CA 1.857 63.965 62.300 -0.321 0.000 1.049 994 V CB -0.612 30.879 31.823 -0.553 0.000 0.672 994 V HN 0.287 nan 8.190 nan 0.000 0.457 995 M N 0.425 120.012 119.600 -0.021 0.000 2.691 995 M HA 0.232 4.710 4.480 -0.003 0.000 0.227 995 M C 1.329 177.678 176.300 0.082 0.000 1.120 995 M CA 0.833 56.189 55.300 0.093 0.000 1.034 995 M CB -0.394 32.323 32.600 0.195 0.000 1.675 995 M HN 0.484 nan 8.290 nan 0.000 0.514 996 G N 1.742 110.517 108.800 -0.042 0.000 2.295 996 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.287 996 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.287 996 G C -0.252 174.660 174.900 0.021 0.000 1.055 996 G CA 0.354 45.438 45.100 -0.027 0.000 0.922 996 G HN 0.446 nan 8.290 nan 0.000 0.503 997 T N -0.210 114.355 114.554 0.018 0.000 3.578 997 T HA 0.460 4.808 4.350 -0.003 0.000 0.329 997 T C 0.209 174.896 174.700 -0.022 0.000 0.913 997 T CA 0.093 62.164 62.100 -0.049 0.000 1.029 997 T CB 1.254 69.985 68.868 -0.227 0.000 1.045 997 T HN 1.076 nan 8.240 nan 0.000 0.460 998 S N 1.591 117.301 115.700 0.016 0.000 3.266 998 S HA 0.567 5.036 4.470 -0.003 0.000 0.209 998 S C 0.975 175.538 174.600 -0.060 0.000 1.409 998 S CA -0.173 58.036 58.200 0.016 0.000 1.179 998 S CB -0.537 62.691 63.200 0.047 0.000 1.218 998 S HN 1.579 nan 8.310 nan 0.000 0.514 999 G N 1.825 110.549 108.800 -0.128 0.000 3.000 999 G HA2 -0.100 3.859 3.960 -0.003 0.000 0.686 999 G HA3 -0.100 3.859 3.960 -0.003 0.000 0.686 999 G C -0.004 174.821 174.900 -0.124 0.000 1.114 999 G CA -0.593 44.416 45.100 -0.152 0.000 0.902 999 G HN 0.707 nan 8.290 nan 0.000 0.564 1000 K N -0.047 120.271 120.400 -0.136 0.000 3.162 1000 K HA -0.167 4.151 4.320 -0.003 0.000 0.268 1000 K C 0.368 176.923 176.600 -0.075 0.000 1.062 1000 K CA 2.110 58.343 56.287 -0.090 0.000 0.769 1000 K CB -1.236 31.227 32.500 -0.062 0.000 1.274 1000 K HN 1.111 nan 8.250 nan 0.000 0.478 1001 K N -0.693 119.642 120.400 -0.109 0.000 2.507 1001 K HA 0.505 4.823 4.320 -0.003 0.000 0.284 1001 K C -0.985 175.568 176.600 -0.079 0.000 1.038 1001 K CA -0.552 55.693 56.287 -0.069 0.000 0.903 1001 K CB 1.632 34.099 32.500 -0.055 0.000 1.531 1001 K HN 0.069 nan 8.250 nan 0.000 0.430 1002 T N 0.215 114.777 114.554 0.013 0.000 2.909 1002 T HA 0.521 4.869 4.350 -0.003 0.000 0.299 1002 T C -1.155 173.624 174.700 0.132 0.000 1.073 1002 T CA -0.917 61.264 62.100 0.135 0.000 0.999 1002 T CB 1.517 70.509 68.868 0.206 0.000 1.098 1002 T HN 0.634 nan 8.240 nan 0.000 0.477 1003 S N 0.768 116.599 115.700 0.217 0.000 2.607 1003 S HA 0.638 5.106 4.470 -0.003 0.000 0.273 1003 S C -2.595 172.094 174.600 0.148 0.000 1.148 1003 S CA -1.509 56.777 58.200 0.143 0.000 0.833 1003 S CB 1.656 64.921 63.200 0.109 0.000 1.130 1003 S HN 0.303 nan 8.310 nan 0.000 0.470 1004 P HA -0.164 nan 4.420 nan 0.000 0.216 1004 P C 1.100 178.407 177.300 0.010 0.000 1.157 1004 P CA 1.621 64.711 63.100 -0.017 0.000 0.880 1004 P CB -0.115 31.509 31.700 -0.126 0.000 0.791 1005 H N -2.968 116.144 119.070 0.069 0.000 2.470 1005 H HA 0.024 4.578 4.556 -0.003 0.000 0.289 1005 H C 1.747 177.154 175.328 0.131 0.000 1.033 1005 H CA 0.686 56.769 56.048 0.059 0.000 1.331 1005 H CB -0.750 29.033 29.762 0.035 0.000 1.414 1005 H HN 0.148 nan 8.280 nan 0.000 0.545 1006 F N 1.402 121.444 119.950 0.153 0.000 2.456 1006 F HA -0.036 4.489 4.527 -0.003 0.000 0.298 1006 F C 2.217 178.121 175.800 0.173 0.000 1.104 1006 F CA 0.691 58.778 58.000 0.146 0.000 1.435 1006 F CB 0.111 39.162 39.000 0.086 0.000 1.078 1006 F HN -0.008 nan 8.300 nan 0.000 0.546 1007 Q N 0.385 120.202 119.800 0.028 0.000 2.079 1007 Q HA -0.174 4.164 4.340 -0.003 0.000 0.200 1007 Q C 2.249 178.181 176.000 -0.114 0.000 0.974 1007 Q CA 1.671 57.425 55.803 -0.082 0.000 0.840 1007 Q CB -0.134 28.612 28.738 0.012 0.000 0.898 1007 Q HN 0.326 nan 8.270 nan 0.000 0.430 1008 K N -0.071 120.302 120.400 -0.045 0.000 2.001 1008 K HA -0.224 4.095 4.320 -0.003 0.000 0.214 1008 K C 1.832 178.350 176.600 -0.137 0.000 1.050 1008 K CA 1.735 57.975 56.287 -0.079 0.000 0.934 1008 K CB -0.331 32.139 32.500 -0.050 0.000 0.718 1008 K HN 0.142 nan 8.250 nan 0.000 0.443 1009 F N 2.038 121.846 119.950 -0.237 0.000 2.065 1009 F HA -0.318 4.207 4.527 -0.003 0.000 0.298 1009 F C 2.248 177.889 175.800 -0.264 0.000 1.112 1009 F CA 1.806 59.660 58.000 -0.243 0.000 1.212 1009 F CB -0.254 38.647 39.000 -0.165 0.000 0.975 1009 F HN 0.141 nan 8.300 nan 0.000 0.476 1010 Q N 0.080 119.661 119.800 -0.365 0.000 2.020 1010 Q HA -0.227 4.112 4.340 -0.003 0.000 0.202 1010 Q C 2.114 177.937 176.000 -0.294 0.000 0.982 1010 Q CA 1.802 57.386 55.803 -0.364 0.000 0.838 1010 Q CB -0.454 28.092 28.738 -0.321 0.000 0.899 1010 Q HN 0.508 nan 8.270 nan 0.000 0.423 1011 D N 0.521 120.785 120.400 -0.226 0.000 2.126 1011 D HA -0.200 4.439 4.640 -0.003 0.000 0.190 1011 D C 1.913 178.093 176.300 -0.200 0.000 1.001 1011 D CA 1.327 55.230 54.000 -0.162 0.000 0.841 1011 D CB -0.134 40.597 40.800 -0.114 0.000 0.949 1011 D HN 0.248 nan 8.370 nan 0.000 0.446 1012 I N 0.659 121.072 120.570 -0.262 0.000 2.226 1012 I HA -0.264 3.905 4.170 -0.003 0.000 0.245 1012 I C 2.805 178.700 176.117 -0.370 0.000 1.100 1012 I CA 0.509 61.643 61.300 -0.276 0.000 1.374 1012 I CB -0.182 37.653 38.000 -0.275 0.000 1.057 1012 I HN 0.095 nan 8.210 nan 0.000 0.413 1013 C N 0.136 119.141 119.300 -0.491 0.000 2.413 1013 C HA -0.154 4.304 4.460 -0.003 0.000 0.278 1013 C C 2.899 177.635 174.990 -0.423 0.000 1.224 1013 C CA 1.017 59.731 59.018 -0.506 0.000 1.732 1013 C CB -0.673 26.769 27.740 -0.495 0.000 2.050 1013 C HN 0.363 nan 8.230 nan 0.000 0.463 1014 V N 0.646 120.393 119.914 -0.278 0.000 2.427 1014 V HA -0.210 3.908 4.120 -0.003 0.000 0.248 1014 V C 2.359 178.385 176.094 -0.114 0.000 1.051 1014 V CA 1.759 63.968 62.300 -0.151 0.000 1.048 1014 V CB -0.692 31.104 31.823 -0.045 0.000 0.666 1014 V HN 0.557 nan 8.190 nan 0.000 0.456 1015 K N 0.479 120.795 120.400 -0.140 0.000 2.032 1015 K HA -0.163 4.155 4.320 -0.003 0.000 0.209 1015 K C 2.317 178.849 176.600 -0.113 0.000 1.048 1015 K CA 1.653 57.876 56.287 -0.107 0.000 0.927 1015 K CB -0.432 31.995 32.500 -0.120 0.000 0.712 1015 K HN 0.480 nan 8.250 nan 0.000 0.441 1016 A N 0.196 122.882 122.820 -0.224 0.000 1.969 1016 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 1016 A C 1.998 179.656 177.584 0.125 0.000 1.169 1016 A CA 1.173 53.084 52.037 -0.210 0.000 0.635 1016 A CB -0.524 18.143 19.000 -0.555 0.000 0.810 1016 A HN 0.421 nan 8.150 nan 0.000 0.445 1017 Y N 0.308 120.474 120.300 -0.224 0.000 2.206 1017 Y HA 0.044 4.593 4.550 -0.003 0.000 0.292 1017 Y C 1.854 177.669 175.900 -0.142 0.000 1.123 1017 Y CA 1.260 59.207 58.100 -0.255 0.000 1.142 1017 Y CB -0.385 37.706 38.460 -0.616 0.000 1.006 1017 Y HN 0.180 nan 8.280 nan 0.000 0.518 1018 L N -0.194 120.883 121.223 -0.245 0.000 2.131 1018 L HA -0.173 4.165 4.340 -0.003 0.000 0.210 1018 L C 2.716 179.333 176.870 -0.423 0.000 1.092 1018 L CA 1.111 55.726 54.840 -0.375 0.000 0.759 1018 L CB -0.946 40.992 42.059 -0.203 0.000 0.903 1018 L HN 0.292 nan 8.230 nan 0.000 0.435 1019 A N 0.207 122.965 122.820 -0.104 0.000 1.902 1019 A HA -0.145 4.173 4.320 -0.003 0.000 0.217 1019 A C 2.236 179.883 177.584 0.106 0.000 1.181 1019 A CA 1.309 53.417 52.037 0.118 0.000 0.623 1019 A CB -0.638 18.560 19.000 0.330 0.000 0.818 1019 A HN 0.366 nan 8.150 nan 0.000 0.443 1020 L N -1.223 120.033 121.223 0.055 0.000 2.201 1020 L HA -0.135 4.203 4.340 -0.003 0.000 0.212 1020 L C 2.716 179.539 176.870 -0.078 0.000 1.105 1020 L CA 1.022 55.847 54.840 -0.025 0.000 0.775 1020 L CB -0.411 41.632 42.059 -0.027 0.000 0.913 1020 L HN 0.377 nan 8.230 nan 0.000 0.440 1021 R N -0.854 119.493 120.500 -0.255 0.000 2.148 1021 R HA -0.088 4.250 4.340 -0.003 0.000 0.223 1021 R C 1.639 177.806 176.300 -0.222 0.000 1.088 1021 R CA 0.690 56.612 56.100 -0.298 0.000 0.985 1021 R CB -0.273 29.755 30.300 -0.453 0.000 0.880 1021 R HN 0.500 nan 8.270 nan 0.000 0.451 1022 H N -0.976 118.055 119.070 -0.065 0.000 2.568 1022 H HA 0.013 4.567 4.556 -0.003 0.000 0.275 1022 H C 0.293 175.388 175.328 -0.389 0.000 1.028 1022 H CA 0.441 56.389 56.048 -0.166 0.000 1.173 1022 H CB 0.125 29.807 29.762 -0.133 0.000 1.335 1022 H HN 0.252 nan 8.280 nan 0.000 0.614 1023 H N -1.399 117.670 119.070 -0.002 0.000 2.885 1023 H HA 0.086 4.641 4.556 -0.003 0.000 0.237 1023 H C 0.922 176.222 175.328 -0.046 0.000 1.229 1023 H CA 0.005 56.040 56.048 -0.022 0.000 0.947 1023 H CB 0.748 30.485 29.762 -0.040 0.000 2.223 1023 H HN 0.239 nan 8.280 nan 0.000 0.628 1024 T N 1.024 115.580 114.554 0.003 0.000 2.684 1024 T HA -0.151 4.197 4.350 -0.003 0.000 0.267 1024 T C 1.863 176.560 174.700 -0.005 0.000 1.036 1024 T CA 1.572 63.657 62.100 -0.025 0.000 1.148 1024 T CB 0.135 68.969 68.868 -0.057 0.000 0.863 1024 T HN 0.387 nan 8.240 nan 0.000 0.436 1025 N N 0.977 119.679 118.700 0.003 0.000 2.188 1025 N HA 0.075 4.814 4.740 -0.003 0.000 0.184 1025 N C 1.767 177.295 175.510 0.030 0.000 1.018 1025 N CA 0.396 53.455 53.050 0.016 0.000 0.858 1025 N CB -0.587 37.909 38.487 0.015 0.000 0.989 1025 N HN 0.272 nan 8.380 nan 0.000 0.426 1026 L N 0.538 121.786 121.223 0.042 0.000 1.989 1026 L HA -0.143 4.195 4.340 -0.003 0.000 0.211 1026 L C 1.816 178.719 176.870 0.055 0.000 1.071 1026 L CA 1.343 56.214 54.840 0.050 0.000 0.749 1026 L CB -0.310 41.801 42.059 0.088 0.000 0.890 1026 L HN 0.171 nan 8.230 nan 0.000 0.431 1027 L N -0.625 120.624 121.223 0.044 0.000 2.056 1027 L HA -0.262 4.076 4.340 -0.003 0.000 0.207 1027 L C 2.501 179.415 176.870 0.073 0.000 1.078 1027 L CA 1.210 56.074 54.840 0.040 0.000 0.749 1027 L CB -0.428 41.625 42.059 -0.009 0.000 0.901 1027 L HN 0.254 nan 8.230 nan 0.000 0.433 1028 I N -0.499 120.096 120.570 0.042 0.000 2.208 1028 I HA -0.313 3.855 4.170 -0.003 0.000 0.245 1028 I C 2.429 178.624 176.117 0.130 0.000 1.097 1028 I CA 1.133 62.471 61.300 0.063 0.000 1.363 1028 I CB -0.097 37.919 38.000 0.026 0.000 1.051 1028 I HN 0.238 nan 8.210 nan 0.000 0.413 1029 I N 0.426 121.053 120.570 0.095 0.000 2.500 1029 I HA -0.170 3.998 4.170 -0.003 0.000 0.252 1029 I C 2.289 178.469 176.117 0.105 0.000 1.142 1029 I CA 1.498 62.852 61.300 0.090 0.000 1.451 1029 I CB -0.478 37.557 38.000 0.058 0.000 1.093 1029 I HN 0.177 nan 8.210 nan 0.000 0.430 1030 L N -0.977 120.314 121.223 0.113 0.000 2.056 1030 L HA -0.242 4.096 4.340 -0.003 0.000 0.207 1030 L C 2.521 179.467 176.870 0.126 0.000 1.078 1030 L CA 1.253 56.159 54.840 0.109 0.000 0.749 1030 L CB -0.766 41.356 42.059 0.105 0.000 0.901 1030 L HN 0.115 nan 8.230 nan 0.000 0.433 1031 F N 0.710 120.666 119.950 0.010 0.000 2.102 1031 F HA -0.282 4.243 4.527 -0.003 0.000 0.298 1031 F C 2.936 178.745 175.800 0.014 0.000 1.105 1031 F CA 1.740 59.745 58.000 0.007 0.000 1.239 1031 F CB -0.225 38.784 39.000 0.016 0.000 0.991 1031 F HN 0.097 nan 8.300 nan 0.000 0.474 1032 S N 0.295 116.116 115.700 0.202 0.000 2.368 1032 S HA -0.245 4.224 4.470 -0.003 0.000 0.225 1032 S C 2.090 176.697 174.600 0.011 0.000 1.030 1032 S CA 1.543 59.802 58.200 0.098 0.000 0.999 1032 S CB -0.532 62.737 63.200 0.114 0.000 0.844 1032 S HN 0.526 nan 8.310 nan 0.000 0.459 1033 M N 0.520 120.150 119.600 0.049 0.000 2.132 1033 M HA -0.008 4.471 4.480 -0.003 0.000 0.263 1033 M C 2.499 178.811 176.300 0.020 0.000 1.065 1033 M CA 1.867 57.228 55.300 0.103 0.000 1.122 1033 M CB -0.457 32.232 32.600 0.148 0.000 1.365 1033 M HN 0.532 nan 8.290 nan 0.000 0.411 1034 M N 0.957 120.516 119.600 -0.068 0.000 2.073 1034 M HA -0.267 4.211 4.480 -0.003 0.000 0.258 1034 M C 1.959 178.151 176.300 -0.180 0.000 1.070 1034 M CA 1.901 57.114 55.300 -0.145 0.000 1.103 1034 M CB -0.267 32.208 32.600 -0.208 0.000 1.321 1034 M HN 0.247 nan 8.290 nan 0.000 0.405 1035 L N -0.153 120.906 121.223 -0.273 0.000 2.043 1035 L HA -0.275 4.063 4.340 -0.003 0.000 0.212 1035 L C 2.624 179.430 176.870 -0.106 0.000 1.075 1035 L CA 1.712 56.411 54.840 -0.235 0.000 0.752 1035 L CB -0.730 41.150 42.059 -0.297 0.000 0.891 1035 L HN 0.534 nan 8.230 nan 0.000 0.432 1036 M N -0.885 118.693 119.600 -0.037 0.000 2.200 1036 M HA -0.108 4.370 4.480 -0.003 0.000 0.265 1036 M C 2.111 178.422 176.300 0.018 0.000 1.066 1036 M CA 2.060 57.384 55.300 0.040 0.000 1.127 1036 M CB -0.356 32.346 32.600 0.169 0.000 1.379 1036 M HN 0.380 nan 8.290 nan 0.000 0.420 1037 T N -3.953 110.586 114.554 -0.025 0.000 3.040 1037 T HA 0.239 4.588 4.350 -0.003 0.000 0.250 1037 T C 1.244 175.880 174.700 -0.108 0.000 1.058 1037 T CA 0.588 62.618 62.100 -0.118 0.000 0.988 1037 T CB 0.205 68.951 68.868 -0.204 0.000 0.993 1037 T HN 0.408 nan 8.240 nan 0.000 0.519 1038 G N 0.766 109.510 108.800 -0.092 0.000 3.829 1038 G HA2 0.448 4.406 3.960 -0.003 0.000 0.279 1038 G HA3 0.448 4.406 3.960 -0.003 0.000 0.279 1038 G C 0.096 174.953 174.900 -0.072 0.000 1.008 1038 G CA -0.426 44.620 45.100 -0.089 0.000 0.840 1038 G HN 0.234 nan 8.290 nan 0.000 0.474 1039 M N 0.581 120.142 119.600 -0.064 0.000 2.852 1039 M HA 0.491 4.969 4.480 -0.003 0.000 0.301 1039 M C -1.974 174.311 176.300 -0.025 0.000 1.229 1039 M CA -2.245 53.030 55.300 -0.042 0.000 0.832 1039 M CB 0.232 32.800 32.600 -0.053 0.000 1.726 1039 M HN -0.186 nan 8.290 nan 0.000 0.497 1040 P HA -0.002 nan 4.420 nan 0.000 0.293 1040 P C -0.629 176.678 177.300 0.011 0.000 1.285 1040 P CA -0.233 62.872 63.100 0.008 0.000 0.775 1040 P CB 0.136 31.851 31.700 0.025 0.000 1.351 1041 Q N -0.221 119.601 119.800 0.037 0.000 2.327 1041 Q HA 0.370 4.708 4.340 -0.003 0.000 0.254 1041 Q C -0.735 175.309 176.000 0.073 0.000 0.952 1041 Q CA -0.434 55.417 55.803 0.080 0.000 0.884 1041 Q CB 0.167 28.980 28.738 0.125 0.000 1.224 1041 Q HN 0.304 nan 8.270 nan 0.000 0.422 1042 L N 0.896 122.146 121.223 0.045 0.000 2.466 1042 L HA 0.464 4.802 4.340 -0.003 0.000 0.258 1042 L C -0.819 175.852 176.870 -0.332 0.000 0.973 1042 L CA -0.740 54.053 54.840 -0.079 0.000 0.826 1042 L CB 0.829 42.843 42.059 -0.077 0.000 1.372 1042 L HN 0.505 nan 8.230 nan 0.000 0.409 1043 T N 0.832 115.195 114.554 -0.318 0.000 2.825 1043 T HA 0.066 4.414 4.350 -0.003 0.000 0.270 1043 T C 1.423 175.889 174.700 -0.390 0.000 0.919 1043 T CA 0.264 62.083 62.100 -0.468 0.000 1.159 1043 T CB -0.199 68.551 68.868 -0.197 0.000 0.889 1043 T HN 0.670 nan 8.240 nan 0.000 0.565 1044 S N 2.544 117.904 115.700 -0.567 0.000 2.520 1044 S HA -0.114 4.355 4.470 -0.003 0.000 0.249 1044 S C 1.779 176.287 174.600 -0.153 0.000 0.983 1044 S CA 1.107 59.132 58.200 -0.293 0.000 0.958 1044 S CB -0.019 63.028 63.200 -0.254 0.000 0.750 1044 S HN 0.630 nan 8.310 nan 0.000 0.527 1045 K N -0.053 120.260 120.400 -0.145 0.000 2.273 1045 K HA 0.221 4.539 4.320 -0.003 0.000 0.206 1045 K C 2.101 178.686 176.600 -0.025 0.000 1.072 1045 K CA 0.115 56.366 56.287 -0.060 0.000 0.953 1045 K CB -0.067 32.407 32.500 -0.042 0.000 1.043 1045 K HN 0.027 nan 8.250 nan 0.000 0.477 1046 E N 1.254 121.430 120.200 -0.039 0.000 2.112 1046 E HA -0.123 4.225 4.350 -0.003 0.000 0.190 1046 E C 0.919 177.554 176.600 0.058 0.000 0.979 1046 E CA 0.991 57.397 56.400 0.010 0.000 0.814 1046 E CB 0.254 29.956 29.700 0.002 0.000 0.762 1046 E HN 0.256 nan 8.360 nan 0.000 0.460 1047 D N 0.665 121.093 120.400 0.047 0.000 2.194 1047 D HA -0.098 4.541 4.640 -0.003 0.000 0.204 1047 D C 2.015 178.469 176.300 0.256 0.000 0.964 1047 D CA 0.480 54.548 54.000 0.113 0.000 0.846 1047 D CB 0.188 41.013 40.800 0.042 0.000 0.962 1047 D HN 0.243 nan 8.370 nan 0.000 0.490 1048 I N 1.044 121.746 120.570 0.219 0.000 2.315 1048 I HA -0.153 4.015 4.170 -0.003 0.000 0.248 1048 I C 2.039 178.289 176.117 0.222 0.000 1.117 1048 I CA 0.893 62.401 61.300 0.348 0.000 1.404 1048 I CB -1.127 36.997 38.000 0.207 0.000 1.071 1048 I HN -0.120 nan 8.210 nan 0.000 0.419 1049 E N 0.442 120.721 120.200 0.132 0.000 2.501 1049 E HA -0.232 4.116 4.350 -0.003 0.000 0.203 1049 E C 1.881 178.515 176.600 0.056 0.000 1.072 1049 E CA 0.475 56.914 56.400 0.065 0.000 0.885 1049 E CB -0.472 29.254 29.700 0.044 0.000 0.813 1049 E HN 0.573 nan 8.360 nan 0.000 0.556 1050 Y N -0.150 120.147 120.300 -0.006 0.000 2.133 1050 Y HA -0.141 4.408 4.550 -0.003 0.000 0.287 1050 Y C 1.959 177.748 175.900 -0.186 0.000 1.134 1050 Y CA 1.676 59.743 58.100 -0.055 0.000 1.133 1050 Y CB -0.121 38.338 38.460 -0.002 0.000 0.987 1050 Y HN 0.113 nan 8.280 nan 0.000 0.502 1051 I N -0.022 120.438 120.570 -0.184 0.000 2.493 1051 I HA -0.261 3.908 4.170 -0.003 0.000 0.254 1051 I C 2.438 178.383 176.117 -0.288 0.000 1.160 1051 I CA 1.019 62.078 61.300 -0.402 0.000 1.445 1051 I CB -0.221 37.281 38.000 -0.830 0.000 1.086 1051 I HN 0.237 nan 8.210 nan 0.000 0.433 1052 R N 0.879 121.263 120.500 -0.194 0.000 2.103 1052 R HA -0.238 4.101 4.340 -0.003 0.000 0.234 1052 R C 1.713 177.912 176.300 -0.167 0.000 1.132 1052 R CA 2.642 58.659 56.100 -0.138 0.000 0.925 1052 R CB -0.331 29.917 30.300 -0.087 0.000 0.842 1052 R HN 0.350 nan 8.270 nan 0.000 0.430 1053 D N -0.453 119.822 120.400 -0.209 0.000 2.219 1053 D HA -0.077 4.561 4.640 -0.003 0.000 0.205 1053 D C 1.529 177.707 176.300 -0.203 0.000 0.970 1053 D CA 1.233 55.107 54.000 -0.210 0.000 0.851 1053 D CB -0.074 40.615 40.800 -0.185 0.000 0.943 1053 D HN 0.371 nan 8.370 nan 0.000 0.488 1054 A N 0.175 122.769 122.820 -0.378 0.000 1.897 1054 A HA -0.019 4.299 4.320 -0.003 0.000 0.215 1054 A C 1.933 179.576 177.584 0.098 0.000 1.181 1054 A CA 0.704 52.505 52.037 -0.393 0.000 0.620 1054 A CB -0.534 17.962 19.000 -0.839 0.000 0.821 1054 A HN 0.225 nan 8.150 nan 0.000 0.443 1055 L N -0.146 121.076 121.223 -0.002 0.000 2.627 1055 L HA 0.045 4.383 4.340 -0.003 0.000 0.233 1055 L C 1.167 178.047 176.870 0.016 0.000 1.144 1055 L CA 0.560 55.434 54.840 0.057 0.000 0.892 1055 L CB -0.385 41.634 42.059 -0.067 0.000 1.039 1055 L HN 0.464 nan 8.230 nan 0.000 0.442 1056 T N 0.034 114.586 114.554 -0.003 0.000 3.626 1056 T HA -0.175 4.174 4.350 -0.003 0.000 0.393 1056 T C 0.293 174.936 174.700 -0.096 0.000 0.765 1056 T CA -0.157 61.879 62.100 -0.105 0.000 2.006 1056 T CB -1.204 67.607 68.868 -0.095 0.000 1.739 1056 T HN 0.042 nan 8.240 nan 0.000 0.720 1057 V N 1.837 121.694 119.914 -0.095 0.000 3.032 1057 V HA 0.405 4.523 4.120 -0.003 0.000 0.307 1057 V C 2.192 178.244 176.094 -0.069 0.000 1.097 1057 V CA 1.183 63.436 62.300 -0.078 0.000 1.191 1057 V CB 0.601 32.382 31.823 -0.069 0.000 0.964 1057 V HN 1.521 nan 8.190 nan 0.000 0.494 1058 G N 2.484 111.252 108.800 -0.054 0.000 2.189 1058 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.267 1058 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.267 1058 G C 0.164 175.040 174.900 -0.041 0.000 0.975 1058 G CA 0.413 45.487 45.100 -0.043 0.000 0.644 1058 G HN 0.568 nan 8.290 nan 0.000 0.537 1059 K N 0.805 121.176 120.400 -0.048 0.000 2.185 1059 K HA 0.475 4.794 4.320 -0.003 0.000 0.240 1059 K C 0.500 177.084 176.600 -0.027 0.000 0.983 1059 K CA -0.928 55.337 56.287 -0.037 0.000 0.873 1059 K CB 0.928 33.401 32.500 -0.045 0.000 1.118 1059 K HN 0.410 nan 8.250 nan 0.000 0.441 1060 N N 0.090 118.782 118.700 -0.012 0.000 2.445 1060 N HA 0.020 4.758 4.740 -0.003 0.000 0.264 1060 N C 0.389 175.901 175.510 0.003 0.000 1.227 1060 N CA -0.003 53.045 53.050 -0.004 0.000 0.963 1060 N CB 0.786 39.276 38.487 0.004 0.000 1.188 1060 N HN 0.458 nan 8.380 nan 0.000 0.491 1061 E N -0.379 119.824 120.200 0.004 0.000 2.150 1061 E HA -0.153 4.195 4.350 -0.003 0.000 0.193 1061 E C 0.964 177.586 176.600 0.035 0.000 0.985 1061 E CA 1.030 57.434 56.400 0.005 0.000 0.814 1061 E CB 0.198 29.904 29.700 0.010 0.000 0.752 1061 E HN 0.597 nan 8.360 nan 0.000 0.466 1062 E N 1.122 121.345 120.200 0.039 0.000 2.028 1062 E HA -0.165 4.183 4.350 -0.003 0.000 0.190 1062 E C 1.725 178.371 176.600 0.076 0.000 0.984 1062 E CA 0.856 57.287 56.400 0.052 0.000 0.800 1062 E CB -0.550 29.174 29.700 0.040 0.000 0.758 1062 E HN 0.179 nan 8.360 nan 0.000 0.448 1063 D N 1.272 121.713 120.400 0.068 0.000 2.133 1063 D HA -0.164 4.474 4.640 -0.003 0.000 0.192 1063 D C 1.873 178.265 176.300 0.153 0.000 1.001 1063 D CA 2.067 56.120 54.000 0.089 0.000 0.844 1063 D CB -0.385 40.446 40.800 0.053 0.000 0.944 1063 D HN 0.228 nan 8.370 nan 0.000 0.447 1064 A N 0.735 123.645 122.820 0.151 0.000 1.883 1064 A HA -0.267 4.051 4.320 -0.003 0.000 0.217 1064 A C 2.055 179.885 177.584 0.410 0.000 1.186 1064 A CA 2.244 54.444 52.037 0.272 0.000 0.624 1064 A CB -0.649 18.431 19.000 0.134 0.000 0.822 1064 A HN 0.268 nan 8.150 nan 0.000 0.444 1065 K N 0.202 120.762 120.400 0.267 0.000 2.063 1065 K HA -0.244 4.074 4.320 -0.003 0.000 0.208 1065 K C 2.115 178.852 176.600 0.228 0.000 1.048 1065 K CA 2.045 58.479 56.287 0.244 0.000 0.928 1065 K CB -0.247 32.336 32.500 0.138 0.000 0.713 1065 K HN 0.466 nan 8.250 nan 0.000 0.442 1066 K N -0.400 120.115 120.400 0.192 0.000 2.211 1066 K HA -0.201 4.117 4.320 -0.003 0.000 0.203 1066 K C 1.964 178.680 176.600 0.194 0.000 1.050 1066 K CA 1.116 57.498 56.287 0.158 0.000 0.945 1066 K CB -0.260 32.315 32.500 0.126 0.000 0.732 1066 K HN 0.341 nan 8.250 nan 0.000 0.451 1067 Y N -0.213 120.158 120.300 0.118 0.000 2.109 1067 Y HA -0.223 4.325 4.550 -0.003 0.000 0.285 1067 Y C 1.899 177.811 175.900 0.020 0.000 1.131 1067 Y CA 1.671 59.828 58.100 0.095 0.000 1.121 1067 Y CB -0.221 38.348 38.460 0.181 0.000 0.987 1067 Y HN 0.082 nan 8.280 nan 0.000 0.495 1068 F N 0.334 120.212 119.950 -0.120 0.000 2.216 1068 F HA -0.215 4.310 4.527 -0.003 0.000 0.300 1068 F C 1.841 177.503 175.800 -0.230 0.000 1.085 1068 F CA 1.393 59.158 58.000 -0.391 0.000 1.326 1068 F CB -0.261 38.444 39.000 -0.492 0.000 1.027 1068 F HN 0.049 nan 8.300 nan 0.000 0.497 1069 L N -0.691 120.542 121.223 0.017 0.000 2.179 1069 L HA -0.152 4.187 4.340 -0.003 0.000 0.208 1069 L C 1.977 178.810 176.870 -0.061 0.000 1.096 1069 L CA 0.760 55.610 54.840 0.017 0.000 0.779 1069 L CB -0.590 41.515 42.059 0.078 0.000 0.922 1069 L HN -0.013 nan 8.230 nan 0.000 0.443 1070 D N -0.324 120.011 120.400 -0.108 0.000 2.117 1070 D HA -0.183 4.455 4.640 -0.003 0.000 0.197 1070 D C 2.286 178.430 176.300 -0.259 0.000 0.987 1070 D CA 0.987 54.899 54.000 -0.147 0.000 0.829 1070 D CB -0.054 40.666 40.800 -0.133 0.000 0.961 1070 D HN 0.274 nan 8.370 nan 0.000 0.460 1071 Q N 0.354 119.889 119.800 -0.442 0.000 2.061 1071 Q HA -0.118 4.220 4.340 -0.003 0.000 0.204 1071 Q C 2.655 178.382 176.000 -0.456 0.000 0.984 1071 Q CA 0.662 56.116 55.803 -0.582 0.000 0.846 1071 Q CB -0.519 27.669 28.738 -0.918 0.000 0.902 1071 Q HN 0.417 nan 8.270 nan 0.000 0.421 1072 I N 1.234 121.666 120.570 -0.231 0.000 2.151 1072 I HA -0.247 3.921 4.170 -0.003 0.000 0.243 1072 I C 2.071 178.154 176.117 -0.057 0.000 1.080 1072 I CA 1.280 62.595 61.300 0.025 0.000 1.339 1072 I CB -0.180 37.950 38.000 0.216 0.000 1.039 1072 I HN 0.142 nan 8.210 nan 0.000 0.409 1073 E N 0.071 120.228 120.200 -0.073 0.000 2.511 1073 E HA -0.039 4.309 4.350 -0.003 0.000 0.196 1073 E C 2.183 178.703 176.600 -0.133 0.000 1.066 1073 E CA 0.455 56.812 56.400 -0.072 0.000 0.871 1073 E CB 0.288 29.969 29.700 -0.032 0.000 0.863 1073 E HN 0.355 nan 8.360 nan 0.000 0.520 1074 V N 0.070 119.861 119.914 -0.204 0.000 2.446 1074 V HA -0.212 3.906 4.120 -0.003 0.000 0.244 1074 V C 2.311 178.261 176.094 -0.239 0.000 1.039 1074 V CA 1.162 63.332 62.300 -0.217 0.000 1.045 1074 V CB -0.284 31.384 31.823 -0.258 0.000 0.681 1074 V HN 0.355 nan 8.190 nan 0.000 0.459 1075 C N 0.046 119.158 119.300 -0.314 0.000 2.422 1075 C HA -0.092 4.367 4.460 -0.003 0.000 0.279 1075 C C 2.654 177.494 174.990 -0.248 0.000 1.305 1075 C CA 0.669 59.502 59.018 -0.308 0.000 1.757 1075 C CB -1.253 26.271 27.740 -0.361 0.000 1.962 1075 C HN 0.488 nan 8.230 nan 0.000 0.499 1076 R N 0.346 120.727 120.500 -0.198 0.000 2.280 1076 R HA 0.016 4.354 4.340 -0.003 0.000 0.195 1076 R C 1.125 177.326 176.300 -0.164 0.000 0.935 1076 R CA 0.495 56.483 56.100 -0.188 0.000 1.033 1076 R CB -0.209 30.002 30.300 -0.147 0.000 0.964 1076 R HN 0.597 nan 8.270 nan 0.000 0.489 1077 D N 0.521 120.835 120.400 -0.144 0.000 2.333 1077 D HA -0.002 4.637 4.640 -0.003 0.000 0.208 1077 D C 1.149 177.381 176.300 -0.113 0.000 0.984 1077 D CA 0.861 54.793 54.000 -0.113 0.000 0.873 1077 D CB 0.519 41.264 40.800 -0.093 0.000 0.935 1077 D HN 0.102 nan 8.370 nan 0.000 0.521 1078 K N -0.328 119.987 120.400 -0.143 0.000 2.370 1078 K HA 0.154 4.472 4.320 -0.003 0.000 0.194 1078 K C 1.416 177.924 176.600 -0.153 0.000 1.070 1078 K CA 0.446 56.660 56.287 -0.122 0.000 0.998 1078 K CB 1.156 33.584 32.500 -0.119 0.000 0.911 1078 K HN 0.026 nan 8.250 nan 0.000 0.533 1079 G N 1.512 110.153 108.800 -0.265 0.000 2.752 1079 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.349 1079 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.349 1079 G C 0.717 175.324 174.900 -0.489 0.000 1.181 1079 G CA 1.112 45.925 45.100 -0.478 0.000 0.949 1079 G HN 0.518 nan 8.290 nan 0.000 0.562 1080 W N 0.386 121.622 121.300 -0.107 0.000 3.114 1080 W HA 0.343 5.002 4.660 -0.003 0.000 0.279 1080 W C 2.850 179.362 176.519 -0.010 0.000 1.277 1080 W CA 0.422 57.690 57.345 -0.129 0.000 1.630 1080 W CB -0.043 29.349 29.460 -0.113 0.000 1.087 1080 W HN 0.429 nan 8.180 nan 0.000 0.637 1081 T N 1.107 115.785 114.554 0.207 0.000 2.649 1081 T HA -0.264 4.085 4.350 -0.003 0.000 0.268 1081 T C 1.655 176.450 174.700 0.159 0.000 1.036 1081 T CA 2.086 64.310 62.100 0.207 0.000 1.157 1081 T CB -0.467 68.452 68.868 0.086 0.000 0.861 1081 T HN -0.059 nan 8.240 nan 0.000 0.445 1082 V N 0.636 120.586 119.914 0.060 0.000 2.725 1082 V HA -0.027 4.091 4.120 -0.003 0.000 0.247 1082 V C 2.607 178.764 176.094 0.105 0.000 1.058 1082 V CA 0.894 63.167 62.300 -0.044 0.000 1.080 1082 V CB -0.428 31.325 31.823 -0.117 0.000 0.713 1082 V HN 0.296 nan 8.190 nan 0.000 0.465 1083 Q N -0.084 119.842 119.800 0.210 0.000 2.030 1083 Q HA -0.204 4.134 4.340 -0.003 0.000 0.204 1083 Q C 2.185 178.405 176.000 0.366 0.000 0.986 1083 Q CA 2.069 58.011 55.803 0.231 0.000 0.843 1083 Q CB -0.703 27.983 28.738 -0.087 0.000 0.904 1083 Q HN 0.668 nan 8.270 nan 0.000 0.420 1084 F N 2.013 122.095 119.950 0.220 0.000 2.161 1084 F HA -0.207 4.318 4.527 -0.003 0.000 0.300 1084 F C 1.623 177.637 175.800 0.357 0.000 1.089 1084 F CA 1.498 59.736 58.000 0.397 0.000 1.282 1084 F CB -0.467 38.692 39.000 0.266 0.000 1.010 1084 F HN 0.078 nan 8.300 nan 0.000 0.485 1085 N N -0.141 118.418 118.700 -0.235 0.000 2.166 1085 N HA -0.196 4.542 4.740 -0.003 0.000 0.186 1085 N C 0.016 175.330 175.510 -0.325 0.000 1.019 1085 N CA 0.966 53.752 53.050 -0.440 0.000 0.856 1085 N CB -0.462 37.840 38.487 -0.308 0.000 0.993 1085 N HN 0.285 nan 8.380 nan 0.000 0.426 1086 W N 0.726 121.930 121.300 -0.161 0.000 2.745 1086 W HA 0.121 4.779 4.660 -0.003 0.000 0.370 1086 W C 0.240 176.546 176.519 -0.355 0.000 1.274 1086 W CA 0.309 57.452 57.345 -0.336 0.000 1.502 1086 W CB -0.937 28.455 29.460 -0.114 0.000 1.589 1086 W HN 0.174 nan 8.180 nan 0.000 0.482 1087 F N -0.267 119.519 119.950 -0.273 0.000 1.623 1087 F HA -0.281 4.244 4.527 -0.003 0.000 0.404 1087 F C 1.784 177.472 175.800 -0.187 0.000 1.099 1087 F CA -0.271 57.639 58.000 -0.150 0.000 1.159 1087 F CB -1.098 37.900 39.000 -0.003 0.000 1.802 1087 F HN -0.008 nan 8.300 nan 0.000 0.200 1088 L N 1.524 122.710 121.223 -0.062 0.000 2.051 1088 L HA -0.296 4.042 4.340 -0.003 0.000 0.214 1088 L C 2.404 179.338 176.870 0.107 0.000 1.076 1088 L CA 2.301 57.124 54.840 -0.028 0.000 0.758 1088 L CB -0.447 41.552 42.059 -0.101 0.000 0.890 1088 L HN 0.316 nan 8.230 nan 0.000 0.433 1089 H N -1.240 117.833 119.070 0.005 0.000 2.276 1089 H HA -0.151 4.404 4.556 -0.003 0.000 0.301 1089 H C 2.326 177.677 175.328 0.038 0.000 1.073 1089 H CA 1.112 57.166 56.048 0.011 0.000 1.311 1089 H CB -0.977 28.790 29.762 0.007 0.000 1.379 1089 H HN 0.180 nan 8.280 nan 0.000 0.494 1090 L N 0.750 122.043 121.223 0.117 0.000 2.011 1090 L HA -0.160 4.178 4.340 -0.003 0.000 0.225 1090 L C 0.968 177.891 176.870 0.089 0.000 1.084 1090 L CA 1.573 56.467 54.840 0.091 0.000 0.791 1090 L CB -0.658 41.455 42.059 0.089 0.000 0.898 1090 L HN 0.088 nan 8.230 nan 0.000 0.440 1091 V N 0.000 119.970 119.914 0.093 0.000 2.409 1091 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 1091 V CA 0.000 62.339 62.300 0.065 0.000 1.235 1091 V CB 0.000 31.855 31.823 0.054 0.000 1.184 1091 V HN 0.000 nan 8.190 nan 0.000 0.556