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 3o4x_1_G DATA FIRST_RESID 745 DATA SEQUENCE VLPFGLTPKK VYKPEVQLRR PNWSKFVAED LSQDCFWTKV KEDRFENNEL DATA SEQUENCE FAKLTLAFSA QTXXXXXXXX XXXXXXXXXX XXXKVKELKV LDSKTAQNLS DATA SEQUENCE IFLGSFRMPY QEIKNVILEV NEAVLTESMI QNLIKQMPEP EQLKMLSELK DATA SEQUENCE EEYDDLAESE QFGVVMGTVP RLRPRLNAIL FKLQFSEQVE NIKPEIVSVT DATA SEQUENCE AACEELRKSE NFSSLLELTL LVGNYMNAGS RNAGAFGFNI SFLCKLRDTK DATA SEQUENCE SADQKMTLLH FLAELCENDH PEVLKFPDEL AHVEKASRVS AENLQKSLDQ DATA SEQUENCE MKKQIADVER DVQNFPAATD EKDKFVEKMT SFVKDAQEQY NKLRMMHSNM DATA SEQUENCE ETLYKELGDY FVFDPKKLSV EEFFMDLHNF RNMFLQAVKE NQKRRETEEK DATA SEQUENCE MRRAKLAKEK AEKERLEKQQ KREQLIDMNA EGDETGVMDS LLEALQSGAA DATA SEQUENCE FRRK 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 745 V HA 0.000 nan 4.120 nan 0.000 0.244 745 V C 0.000 176.104 176.094 0.017 0.000 1.182 745 V CA 0.000 62.308 62.300 0.013 0.000 1.235 745 V CB 0.000 31.832 31.823 0.015 0.000 1.184 746 L N 1.562 122.795 121.223 0.018 0.000 1.714 746 L HA -0.052 4.289 4.340 0.001 0.000 0.484 746 L C -1.924 174.969 176.870 0.037 0.000 1.002 746 L CA -0.326 54.526 54.840 0.019 0.000 1.207 746 L CB -0.308 41.756 42.059 0.008 0.000 1.513 746 L HN 0.393 nan 8.230 nan 0.000 0.810 747 P HA 0.347 nan 4.420 nan 0.000 0.317 747 P C -0.881 176.489 177.300 0.116 0.000 1.307 747 P CA -0.381 62.769 63.100 0.085 0.000 0.749 747 P CB 0.426 32.170 31.700 0.074 0.000 1.377 748 F N -0.264 119.685 119.950 -0.002 0.000 2.377 748 F HA 0.458 4.986 4.527 0.001 0.000 0.360 748 F C 1.181 176.978 175.800 -0.004 0.000 1.147 748 F CA 1.226 59.224 58.000 -0.004 0.000 1.170 748 F CB -0.289 38.708 39.000 -0.006 0.000 1.339 748 F HN 0.687 nan 8.300 nan 0.000 0.552 749 G N 4.802 113.399 108.800 -0.338 0.000 2.604 749 G HA2 -0.229 3.732 3.960 0.001 0.000 0.205 749 G HA3 -0.229 3.732 3.960 0.001 0.000 0.205 749 G C -0.110 174.712 174.900 -0.130 0.000 1.186 749 G CA 0.017 44.949 45.100 -0.280 0.000 0.753 749 G HN 0.867 nan 8.290 nan 0.000 0.526 750 L N -0.878 120.311 121.223 -0.058 0.000 2.422 750 L HA 1.023 5.364 4.340 0.001 0.000 0.263 750 L C 0.232 177.092 176.870 -0.017 0.000 1.110 750 L CA -0.172 54.650 54.840 -0.031 0.000 1.065 750 L CB 1.435 43.490 42.059 -0.006 0.000 1.701 750 L HN 0.480 nan 8.230 nan 0.000 0.548 751 T N -2.677 111.873 114.554 -0.007 0.000 2.907 751 T HA 0.611 4.962 4.350 0.001 0.000 0.292 751 T C -2.764 171.939 174.700 0.005 0.000 1.043 751 T CA -1.696 60.401 62.100 -0.004 0.000 1.003 751 T CB 0.984 69.846 68.868 -0.011 0.000 1.084 751 T HN 0.594 nan 8.240 nan 0.000 0.483 752 P HA 0.065 nan 4.420 nan 0.000 0.264 752 P C -0.589 176.711 177.300 -0.000 0.000 1.173 752 P CA -0.015 63.087 63.100 0.002 0.000 0.761 752 P CB 0.427 32.121 31.700 -0.009 0.000 0.794 753 K N 3.373 123.779 120.400 0.010 0.000 2.258 753 K HA 0.090 4.410 4.320 0.001 0.000 0.284 753 K C 0.668 177.243 176.600 -0.042 0.000 1.051 753 K CA -0.776 55.520 56.287 0.015 0.000 0.923 753 K CB 0.498 33.035 32.500 0.061 0.000 1.046 753 K HN 0.310 nan 8.250 nan 0.000 0.474 754 K N 2.531 122.867 120.400 -0.107 0.000 2.550 754 K HA -0.018 4.302 4.320 0.001 0.000 0.280 754 K C -0.553 175.793 176.600 -0.423 0.000 0.987 754 K CA -0.123 56.000 56.287 -0.274 0.000 1.048 754 K CB 0.134 32.411 32.500 -0.372 0.000 0.879 754 K HN 0.168 nan 8.250 nan 0.000 0.491 755 V N 4.107 123.815 119.914 -0.343 0.000 2.461 755 V HA 0.123 4.244 4.120 0.001 0.000 0.275 755 V C -0.431 175.434 176.094 -0.382 0.000 1.047 755 V CA -0.527 61.619 62.300 -0.256 0.000 0.955 755 V CB -0.403 31.347 31.823 -0.121 0.000 0.988 755 V HN 0.555 nan 8.190 nan 0.000 0.471 756 Y N 3.441 123.698 120.300 -0.071 0.000 2.342 756 Y HA 0.475 5.026 4.550 0.002 0.000 0.334 756 Y C 0.662 176.516 175.900 -0.077 0.000 1.067 756 Y CA -0.705 57.330 58.100 -0.110 0.000 1.128 756 Y CB 1.473 39.836 38.460 -0.162 0.000 1.200 756 Y HN 0.459 nan 8.280 nan 0.000 0.464 757 K N 4.761 125.204 120.400 0.071 0.000 2.499 757 K HA 0.349 4.670 4.320 0.001 0.000 0.215 757 K C -2.616 174.001 176.600 0.029 0.000 1.041 757 K CA -1.681 54.625 56.287 0.033 0.000 1.031 757 K CB 0.498 33.002 32.500 0.006 0.000 1.479 757 K HN 0.444 nan 8.250 nan 0.000 0.518 758 P HA 0.172 nan 4.420 nan 0.000 0.277 758 P C 0.522 177.831 177.300 0.014 0.000 1.240 758 P CA -0.532 62.576 63.100 0.014 0.000 0.798 758 P CB 1.149 32.850 31.700 0.003 0.000 0.979 759 E N -0.118 120.092 120.200 0.017 0.000 2.046 759 E HA 0.015 4.366 4.350 0.001 0.000 0.190 759 E C 0.286 176.896 176.600 0.016 0.000 0.982 759 E CA 1.095 57.505 56.400 0.017 0.000 0.800 759 E CB -0.024 29.689 29.700 0.021 0.000 0.756 759 E HN 0.227 nan 8.360 nan 0.000 0.449 760 V N 1.691 121.617 119.914 0.020 0.000 2.581 760 V HA 0.179 4.300 4.120 0.001 0.000 0.303 760 V C -0.098 176.008 176.094 0.019 0.000 1.041 760 V CA -0.874 61.438 62.300 0.020 0.000 0.907 760 V CB 1.781 33.620 31.823 0.027 0.000 0.994 760 V HN 0.012 nan 8.190 nan 0.000 0.442 761 Q N 3.026 122.835 119.800 0.015 0.000 2.296 761 Q HA 0.540 4.880 4.340 0.001 0.000 0.262 761 Q C -1.214 174.797 176.000 0.019 0.000 0.981 761 Q CA 0.135 55.943 55.803 0.009 0.000 0.905 761 Q CB 0.904 29.643 28.738 0.003 0.000 1.186 761 Q HN 0.574 nan 8.270 nan 0.000 0.399 762 L N 2.581 123.812 121.223 0.014 0.000 2.322 762 L HA 0.604 4.945 4.340 0.001 0.000 0.269 762 L C 0.233 177.104 176.870 0.001 0.000 1.012 762 L CA -0.837 54.024 54.840 0.035 0.000 0.815 762 L CB 1.103 43.184 42.059 0.037 0.000 1.295 762 L HN 0.521 nan 8.230 nan 0.000 0.438 763 R N 1.284 121.804 120.500 0.033 0.000 2.679 763 R HA 0.461 4.802 4.340 0.001 0.000 0.268 763 R C -0.381 175.845 176.300 -0.123 0.000 1.044 763 R CA -0.207 55.885 56.100 -0.014 0.000 1.105 763 R CB 0.414 30.752 30.300 0.062 0.000 0.989 763 R HN 0.687 nan 8.270 nan 0.000 0.447 764 R N 1.549 121.952 120.500 -0.162 0.000 2.808 764 R HA 0.534 4.875 4.340 0.001 0.000 0.272 764 R C -2.759 173.358 176.300 -0.306 0.000 0.995 764 R CA -1.992 53.949 56.100 -0.265 0.000 0.917 764 R CB 0.924 31.070 30.300 -0.257 0.000 1.217 764 R HN 0.391 nan 8.270 nan 0.000 0.471 765 P HA 0.236 nan 4.420 nan 0.000 0.293 765 P C -1.234 175.708 177.300 -0.596 0.000 1.300 765 P CA -0.700 62.121 63.100 -0.464 0.000 0.792 765 P CB 0.769 32.151 31.700 -0.529 0.000 0.925 766 N N 3.874 122.375 118.700 -0.332 0.000 2.719 766 N HA 0.132 4.872 4.740 0.001 0.000 0.243 766 N C -0.008 175.432 175.510 -0.117 0.000 1.104 766 N CA -0.259 52.634 53.050 -0.261 0.000 0.981 766 N CB 0.028 38.432 38.487 -0.139 0.000 1.290 766 N HN 0.495 nan 8.380 nan 0.000 0.513 767 W N 0.393 121.636 121.300 -0.095 0.000 2.365 767 W HA 0.538 5.198 4.660 0.001 0.000 0.410 767 W C -0.083 176.335 176.519 -0.168 0.000 1.634 767 W CA -1.694 55.575 57.345 -0.127 0.000 1.761 767 W CB -0.523 28.849 29.460 -0.147 0.000 1.485 767 W HN -0.036 nan 8.180 nan 0.000 0.706 768 S N 1.520 117.275 115.700 0.091 0.000 2.681 768 S HA 0.167 4.638 4.470 0.001 0.000 0.313 768 S C 0.129 174.457 174.600 -0.454 0.000 1.137 768 S CA -0.813 57.305 58.200 -0.137 0.000 1.045 768 S CB -0.882 62.205 63.200 -0.188 0.000 1.208 768 S HN 0.374 nan 8.310 nan 0.000 0.523 769 K N 1.966 122.249 120.400 -0.195 0.000 2.276 769 K HA 0.320 4.641 4.320 0.001 0.000 0.259 769 K C -1.062 175.259 176.600 -0.465 0.000 1.001 769 K CA -0.036 56.058 56.287 -0.322 0.000 0.927 769 K CB 0.364 32.897 32.500 0.055 0.000 0.969 769 K HN 0.352 nan 8.250 nan 0.000 0.490 770 F N 1.798 121.609 119.950 -0.232 0.000 2.427 770 F HA 0.333 4.861 4.527 0.002 0.000 0.348 770 F C -0.268 175.451 175.800 -0.135 0.000 1.125 770 F CA -1.369 56.504 58.000 -0.211 0.000 0.989 770 F CB 2.055 40.840 39.000 -0.358 0.000 1.165 770 F HN 0.265 nan 8.300 nan 0.000 0.442 771 V N 4.087 124.079 119.914 0.129 0.000 2.713 771 V HA 0.723 4.844 4.120 0.001 0.000 0.307 771 V C 0.791 176.924 176.094 0.064 0.000 1.052 771 V CA 0.135 62.480 62.300 0.075 0.000 0.967 771 V CB 1.423 33.281 31.823 0.059 0.000 1.019 771 V HN 1.044 nan 8.190 nan 0.000 0.459 772 A N 4.652 127.505 122.820 0.057 0.000 3.958 772 A HA -0.333 3.988 4.320 0.001 0.000 0.329 772 A C 1.130 178.752 177.584 0.062 0.000 1.874 772 A CA 2.738 54.812 52.037 0.061 0.000 0.886 772 A CB -1.738 17.296 19.000 0.057 0.000 1.111 772 A HN 1.485 nan 8.150 nan 0.000 0.396 773 E N 0.756 120.984 120.200 0.046 0.000 2.359 773 E HA 0.276 4.626 4.350 0.001 0.000 0.187 773 E C 0.505 177.083 176.600 -0.036 0.000 1.081 773 E CA 0.686 57.096 56.400 0.017 0.000 0.929 773 E CB -0.321 29.374 29.700 -0.008 0.000 1.086 773 E HN 0.629 nan 8.360 nan 0.000 0.462 774 D N 0.030 120.407 120.400 -0.037 0.000 2.323 774 D HA 0.023 4.663 4.640 0.001 0.000 0.209 774 D C 0.248 176.447 176.300 -0.170 0.000 0.973 774 D CA 0.319 54.249 54.000 -0.116 0.000 0.874 774 D CB 0.375 41.092 40.800 -0.139 0.000 0.930 774 D HN 0.211 nan 8.370 nan 0.000 0.521 775 L N 0.389 121.562 121.223 -0.084 0.000 2.468 775 L HA 0.154 4.495 4.340 0.001 0.000 0.254 775 L C 1.115 177.994 176.870 0.015 0.000 1.171 775 L CA -0.047 54.778 54.840 -0.025 0.000 0.809 775 L CB 1.096 43.192 42.059 0.061 0.000 1.155 775 L HN -0.139 nan 8.230 nan 0.000 0.473 776 S N -1.327 114.405 115.700 0.053 0.000 2.823 776 S HA 0.404 4.875 4.470 0.001 0.000 0.316 776 S C 0.396 175.082 174.600 0.144 0.000 1.116 776 S CA -0.716 57.536 58.200 0.086 0.000 0.911 776 S CB 1.132 64.353 63.200 0.033 0.000 1.276 776 S HN 0.458 nan 8.310 nan 0.000 0.565 777 Q N 0.341 120.233 119.800 0.153 0.000 2.137 777 Q HA 0.080 4.421 4.340 0.001 0.000 0.198 777 Q C 0.026 176.057 176.000 0.053 0.000 0.960 777 Q CA 1.323 57.194 55.803 0.113 0.000 0.847 777 Q CB -0.391 28.416 28.738 0.116 0.000 0.915 777 Q HN 0.669 nan 8.270 nan 0.000 0.448 778 D N -0.222 120.205 120.400 0.046 0.000 2.463 778 D HA 0.067 4.708 4.640 0.001 0.000 0.224 778 D C 0.254 176.573 176.300 0.032 0.000 1.174 778 D CA -0.137 53.879 54.000 0.027 0.000 0.829 778 D CB -0.086 40.727 40.800 0.021 0.000 0.993 778 D HN 0.253 nan 8.370 nan 0.000 0.497 779 C N -1.691 117.637 119.300 0.046 0.000 2.403 779 C HA 0.431 4.892 4.460 0.001 0.000 0.361 779 C C 2.026 177.050 174.990 0.057 0.000 1.274 779 C CA -0.949 58.110 59.018 0.068 0.000 2.433 779 C CB -0.009 27.790 27.740 0.098 0.000 2.323 779 C HN 0.268 nan 8.230 nan 0.000 0.614 780 F N 0.311 120.181 119.950 -0.134 0.000 2.186 780 F HA 0.104 4.631 4.527 0.002 0.000 0.299 780 F C 1.577 177.210 175.800 -0.279 0.000 1.090 780 F CA 1.092 58.915 58.000 -0.295 0.000 1.307 780 F CB -0.296 38.387 39.000 -0.528 0.000 1.019 780 F HN 0.766 nan 8.300 nan 0.000 0.489 781 W N 0.453 121.694 121.300 -0.098 0.000 3.077 781 W HA 0.020 4.680 4.660 0.000 0.000 0.245 781 W C 2.111 178.529 176.519 -0.169 0.000 1.316 781 W CA 0.894 58.134 57.345 -0.174 0.000 1.537 781 W CB -0.750 28.712 29.460 0.003 0.000 1.131 781 W HN -0.123 nan 8.180 nan 0.000 0.695 782 T N -0.134 114.421 114.554 0.001 0.000 2.852 782 T HA -0.169 4.182 4.350 0.001 0.000 0.256 782 T C 1.821 176.459 174.700 -0.104 0.000 1.038 782 T CA 0.964 63.053 62.100 -0.019 0.000 1.141 782 T CB -0.260 68.606 68.868 -0.005 0.000 0.869 782 T HN 0.116 nan 8.240 nan 0.000 0.439 783 K N 2.111 122.390 120.400 -0.202 0.000 2.360 783 K HA -0.073 4.247 4.320 0.001 0.000 0.201 783 K C 1.551 177.985 176.600 -0.276 0.000 1.046 783 K CA 1.134 57.276 56.287 -0.243 0.000 0.940 783 K CB -0.186 32.139 32.500 -0.292 0.000 0.748 783 K HN 0.419 nan 8.250 nan 0.000 0.465 784 V N -1.139 118.592 119.914 -0.306 0.000 3.170 784 V HA 0.209 4.330 4.120 0.001 0.000 0.354 784 V C 1.009 177.076 176.094 -0.045 0.000 1.350 784 V CA -0.177 61.987 62.300 -0.226 0.000 1.244 784 V CB -0.199 31.420 31.823 -0.341 0.000 1.222 784 V HN 0.110 nan 8.190 nan 0.000 0.478 785 K N 0.791 121.171 120.400 -0.035 0.000 2.699 785 K HA -0.024 4.297 4.320 0.001 0.000 0.205 785 K C 1.338 177.951 176.600 0.021 0.000 1.008 785 K CA 0.588 56.882 56.287 0.012 0.000 1.100 785 K CB 0.012 32.511 32.500 -0.001 0.000 0.878 785 K HN 0.776 nan 8.250 nan 0.000 0.496 786 E N 0.549 120.758 120.200 0.015 0.000 2.004 786 E HA -0.148 4.203 4.350 0.001 0.000 0.193 786 E C 0.472 177.144 176.600 0.120 0.000 0.985 786 E CA 1.281 57.708 56.400 0.046 0.000 0.832 786 E CB 0.133 29.839 29.700 0.010 0.000 0.787 786 E HN 0.325 nan 8.360 nan 0.000 0.466 787 D N -1.454 119.045 120.400 0.165 0.000 3.475 787 D HA -0.268 4.373 4.640 0.001 0.000 0.191 787 D C 1.574 178.001 176.300 0.212 0.000 1.523 787 D CA 1.734 55.859 54.000 0.208 0.000 2.228 787 D CB -0.904 40.029 40.800 0.222 0.000 1.310 787 D HN 0.101 nan 8.370 nan 0.000 0.413 788 R N 0.286 120.900 120.500 0.190 0.000 2.193 788 R HA -0.018 4.323 4.340 0.001 0.000 0.229 788 R C 2.124 178.542 176.300 0.196 0.000 1.110 788 R CA 0.511 56.714 56.100 0.172 0.000 0.988 788 R CB -0.813 29.570 30.300 0.139 0.000 0.871 788 R HN 0.393 nan 8.270 nan 0.000 0.458 789 F N 1.699 121.676 119.950 0.045 0.000 2.307 789 F HA -0.168 4.360 4.527 0.001 0.000 0.301 789 F C 0.270 176.086 175.800 0.027 0.000 1.076 789 F CA 1.288 59.306 58.000 0.030 0.000 1.383 789 F CB 0.229 39.244 39.000 0.025 0.000 1.055 789 F HN -0.055 nan 8.300 nan 0.000 0.526 790 E N -0.237 119.995 120.200 0.054 0.000 4.230 790 E HA 0.159 4.510 4.350 0.001 0.000 0.216 790 E C -1.123 175.452 176.600 -0.041 0.000 1.132 790 E CA -0.155 56.213 56.400 -0.053 0.000 1.404 790 E CB -0.115 29.570 29.700 -0.027 0.000 1.183 790 E HN -0.010 nan 8.360 nan 0.000 0.431 791 N N 0.946 119.638 118.700 -0.013 0.000 2.424 791 N HA 0.404 5.145 4.740 0.001 0.000 0.271 791 N C -0.705 174.776 175.510 -0.049 0.000 0.985 791 N CA -0.215 52.833 53.050 -0.004 0.000 0.921 791 N CB 0.563 39.124 38.487 0.124 0.000 1.149 791 N HN 0.096 nan 8.380 nan 0.000 0.492 792 N N 1.054 119.666 118.700 -0.148 0.000 3.630 792 N HA 0.259 5.000 4.740 0.001 0.000 0.345 792 N C -0.237 175.224 175.510 -0.081 0.000 1.621 792 N CA -0.309 52.676 53.050 -0.108 0.000 0.678 792 N CB 0.388 38.794 38.487 -0.134 0.000 2.628 792 N HN 0.439 nan 8.380 nan 0.000 0.616 793 E N 0.716 120.878 120.200 -0.063 0.000 2.481 793 E HA 0.090 4.441 4.350 0.001 0.000 0.198 793 E C 1.360 177.936 176.600 -0.040 0.000 1.027 793 E CA 0.047 56.449 56.400 0.003 0.000 0.900 793 E CB -0.042 29.671 29.700 0.021 0.000 0.993 793 E HN 0.336 nan 8.360 nan 0.000 0.482 794 L N -1.681 119.438 121.223 -0.175 0.000 2.261 794 L HA -0.101 4.239 4.340 0.001 0.000 0.216 794 L C 1.734 178.536 176.870 -0.115 0.000 1.114 794 L CA 1.409 56.150 54.840 -0.165 0.000 0.777 794 L CB -0.874 41.051 42.059 -0.224 0.000 0.910 794 L HN -0.072 nan 8.230 nan 0.000 0.440 795 F N 1.575 121.518 119.950 -0.011 0.000 2.154 795 F HA -0.192 4.335 4.527 0.001 0.000 0.301 795 F C 2.587 178.383 175.800 -0.006 0.000 1.087 795 F CA 1.197 59.176 58.000 -0.035 0.000 1.274 795 F CB -1.113 37.857 39.000 -0.050 0.000 1.009 795 F HN 0.247 nan 8.300 nan 0.000 0.485 796 A N -0.904 122.026 122.820 0.184 0.000 2.218 796 A HA 0.007 4.328 4.320 0.001 0.000 0.209 796 A C 2.011 179.639 177.584 0.073 0.000 1.168 796 A CA 0.502 52.607 52.037 0.113 0.000 0.804 796 A CB -0.381 18.676 19.000 0.095 0.000 0.834 796 A HN 0.343 nan 8.150 nan 0.000 0.482 797 K N -0.789 119.648 120.400 0.060 0.000 2.308 797 K HA 0.286 4.606 4.320 0.001 0.000 0.197 797 K C 1.511 178.157 176.600 0.077 0.000 1.049 797 K CA 0.107 56.420 56.287 0.043 0.000 0.991 797 K CB -0.043 32.466 32.500 0.016 0.000 0.836 797 K HN 0.349 nan 8.250 nan 0.000 0.500 798 L N 1.544 122.837 121.223 0.116 0.000 2.005 798 L HA -0.191 4.149 4.340 0.001 0.000 0.207 798 L C 2.588 179.595 176.870 0.229 0.000 1.072 798 L CA 1.855 56.826 54.840 0.219 0.000 0.744 798 L CB -0.758 41.399 42.059 0.163 0.000 0.895 798 L HN 0.329 nan 8.230 nan 0.000 0.433 799 T N -1.851 112.791 114.554 0.146 0.000 2.778 799 T HA -0.245 4.106 4.350 0.001 0.000 0.269 799 T C 1.746 176.495 174.700 0.083 0.000 1.050 799 T CA 1.347 63.514 62.100 0.112 0.000 1.137 799 T CB -0.644 68.272 68.868 0.080 0.000 0.860 799 T HN 0.270 nan 8.240 nan 0.000 0.468 800 L N 0.224 121.482 121.223 0.058 0.000 2.217 800 L HA 0.199 4.540 4.340 0.001 0.000 0.211 800 L C 3.084 179.931 176.870 -0.038 0.000 1.107 800 L CA 1.050 55.897 54.840 0.012 0.000 0.783 800 L CB -0.525 41.536 42.059 0.004 0.000 0.919 800 L HN 0.414 nan 8.230 nan 0.000 0.442 801 A N -1.319 121.458 122.820 -0.071 0.000 2.085 801 A HA 0.135 4.456 4.320 0.001 0.000 0.208 801 A C 1.339 178.640 177.584 -0.472 0.000 1.191 801 A CA 0.266 52.118 52.037 -0.308 0.000 0.799 801 A CB -0.016 18.706 19.000 -0.463 0.000 0.877 801 A HN 0.317 nan 8.150 nan 0.000 0.473 802 F N 1.068 121.013 119.950 -0.008 0.000 2.668 802 F HA 0.187 4.714 4.527 0.000 0.000 0.301 802 F C 1.063 176.854 175.800 -0.015 0.000 1.106 802 F CA -0.137 57.855 58.000 -0.014 0.000 1.289 802 F CB 0.408 39.397 39.000 -0.018 0.000 1.006 802 F HN 0.100 nan 8.300 nan 0.000 0.535 803 S N 1.167 116.927 115.700 0.099 0.000 2.531 803 S HA 0.568 5.038 4.470 0.001 0.000 0.279 803 S C 0.174 174.799 174.600 0.042 0.000 1.305 803 S CA -0.402 57.836 58.200 0.063 0.000 1.058 803 S CB 1.419 64.639 63.200 0.035 0.000 0.899 803 S HN 0.239 nan 8.310 nan 0.000 0.493 804 A N 3.782 126.624 122.820 0.037 0.000 2.801 804 A HA 0.477 4.798 4.320 0.001 0.000 0.344 804 A C 0.156 177.748 177.584 0.013 0.000 1.322 804 A CA -0.787 51.264 52.037 0.023 0.000 0.913 804 A CB 0.104 19.118 19.000 0.023 0.000 1.140 804 A HN 0.904 nan 8.150 nan 0.000 0.487 805 Q N 0.037 119.842 119.800 0.009 0.000 2.823 805 Q HA 0.614 4.955 4.340 0.001 0.000 0.230 805 Q C 0.513 176.514 176.000 0.003 0.000 1.026 805 Q CA -0.700 55.106 55.803 0.006 0.000 0.940 805 Q CB 1.026 29.767 28.738 0.006 0.000 1.382 805 Q HN 0.691 nan 8.270 nan 0.000 0.502 829 V N 0.334 120.246 119.914 -0.003 0.000 2.890 829 V HA -0.047 4.074 4.120 0.001 0.000 0.294 829 V C 0.002 176.091 176.094 -0.008 0.000 1.165 829 V CA 0.212 62.510 62.300 -0.004 0.000 1.302 829 V CB -1.145 30.677 31.823 -0.002 0.000 0.820 829 V HN 0.722 nan 8.190 nan 0.000 0.468 830 K N 1.559 121.952 120.400 -0.012 0.000 5.315 830 K HA -0.079 4.242 4.320 0.001 0.000 0.726 830 K C -0.404 176.186 176.600 -0.017 0.000 2.389 830 K CA 0.784 57.060 56.287 -0.019 0.000 1.829 830 K CB -0.213 32.272 32.500 -0.026 0.000 2.922 830 K HN 1.128 nan 8.250 nan 0.000 0.140 831 E N 3.319 123.508 120.200 -0.019 0.000 2.248 831 E HA 0.412 4.763 4.350 0.001 0.000 0.267 831 E C -1.043 175.546 176.600 -0.018 0.000 0.877 831 E CA -0.945 55.446 56.400 -0.015 0.000 0.759 831 E CB 1.177 30.870 29.700 -0.012 0.000 1.182 831 E HN 0.317 nan 8.360 nan 0.000 0.418 832 L N 3.783 124.997 121.223 -0.015 0.000 2.417 832 L HA 0.243 4.584 4.340 0.001 0.000 0.268 832 L C 1.063 177.925 176.870 -0.014 0.000 1.158 832 L CA 0.684 55.514 54.840 -0.015 0.000 0.819 832 L CB 0.809 42.861 42.059 -0.011 0.000 1.112 832 L HN 0.697 nan 8.230 nan 0.000 0.458 833 K N 1.058 121.449 120.400 -0.015 0.000 2.544 833 K HA 0.231 4.552 4.320 0.001 0.000 0.213 833 K C 0.579 177.172 176.600 -0.011 0.000 1.392 833 K CA 0.166 56.446 56.287 -0.012 0.000 0.980 833 K CB 1.032 33.524 32.500 -0.013 0.000 1.177 833 K HN 0.436 nan 8.250 nan 0.000 0.570 834 V N 0.921 120.828 119.914 -0.011 0.000 3.161 834 V HA 0.156 4.276 4.120 0.001 0.000 0.221 834 V C 0.732 176.821 176.094 -0.008 0.000 1.296 834 V CA -0.112 62.182 62.300 -0.010 0.000 1.306 834 V CB 0.379 32.196 31.823 -0.011 0.000 1.171 834 V HN 0.046 nan 8.190 nan 0.000 0.513 835 L N 2.532 123.751 121.223 -0.007 0.000 2.479 835 L HA 0.146 4.487 4.340 0.001 0.000 0.270 835 L C 0.232 177.099 176.870 -0.005 0.000 1.236 835 L CA 0.054 54.892 54.840 -0.004 0.000 0.823 835 L CB 0.018 42.077 42.059 0.000 0.000 1.098 835 L HN 0.501 nan 8.230 nan 0.000 0.500 836 D N -0.554 119.843 120.400 -0.005 0.000 2.348 836 D HA 0.034 4.675 4.640 0.001 0.000 0.249 836 D C 0.727 177.025 176.300 -0.004 0.000 1.110 836 D CA -0.345 53.652 54.000 -0.005 0.000 0.967 836 D CB 1.328 42.125 40.800 -0.006 0.000 1.139 836 D HN 0.542 nan 8.370 nan 0.000 0.466 837 S N -0.222 115.475 115.700 -0.004 0.000 2.603 837 S HA -0.086 4.385 4.470 0.001 0.000 0.229 837 S C 1.189 175.787 174.600 -0.003 0.000 0.972 837 S CA 0.308 58.507 58.200 -0.003 0.000 0.935 837 S CB -0.189 63.009 63.200 -0.003 0.000 0.769 837 S HN 0.437 nan 8.310 nan 0.000 0.536 838 K N 1.226 121.623 120.400 -0.005 0.000 2.017 838 K HA 0.028 4.349 4.320 0.001 0.000 0.207 838 K C 2.264 178.859 176.600 -0.008 0.000 1.035 838 K CA 1.552 57.835 56.287 -0.006 0.000 0.947 838 K CB -0.741 31.754 32.500 -0.009 0.000 0.749 838 K HN 0.393 nan 8.250 nan 0.000 0.443 839 T N 1.510 116.058 114.554 -0.010 0.000 2.759 839 T HA -0.149 4.202 4.350 0.001 0.000 0.269 839 T C 2.015 176.712 174.700 -0.005 0.000 1.042 839 T CA 1.361 63.454 62.100 -0.013 0.000 1.140 839 T CB -0.277 68.585 68.868 -0.010 0.000 0.864 839 T HN 0.284 nan 8.240 nan 0.000 0.455 840 A N 1.144 123.964 122.820 0.000 0.000 1.929 840 A HA -0.094 4.227 4.320 0.001 0.000 0.216 840 A C 2.333 179.920 177.584 0.006 0.000 1.176 840 A CA 1.591 53.631 52.037 0.005 0.000 0.628 840 A CB -0.659 18.342 19.000 0.002 0.000 0.816 840 A HN 0.569 nan 8.150 nan 0.000 0.444 841 Q N -0.121 119.682 119.800 0.004 0.000 2.046 841 Q HA -0.213 4.128 4.340 0.001 0.000 0.200 841 Q C 1.764 177.772 176.000 0.013 0.000 0.975 841 Q CA 1.838 57.645 55.803 0.008 0.000 0.836 841 Q CB -0.209 28.532 28.738 0.005 0.000 0.896 841 Q HN 0.624 nan 8.270 nan 0.000 0.428 842 N N 0.623 119.326 118.700 0.005 0.000 2.061 842 N HA -0.179 4.562 4.740 0.001 0.000 0.193 842 N C 1.754 177.282 175.510 0.030 0.000 1.030 842 N CA 1.327 54.380 53.050 0.005 0.000 0.856 842 N CB -0.354 38.116 38.487 -0.027 0.000 1.023 842 N HN 0.226 nan 8.380 nan 0.000 0.424 843 L N 0.190 121.422 121.223 0.014 0.000 2.012 843 L HA -0.208 4.132 4.340 0.001 0.000 0.210 843 L C 2.272 179.188 176.870 0.077 0.000 1.073 843 L CA 1.067 55.931 54.840 0.041 0.000 0.748 843 L CB -0.497 41.561 42.059 -0.002 0.000 0.891 843 L HN 0.144 nan 8.230 nan 0.000 0.431 844 S N -0.019 115.707 115.700 0.045 0.000 2.369 844 S HA -0.219 4.252 4.470 0.001 0.000 0.225 844 S C 1.912 176.539 174.600 0.045 0.000 1.043 844 S CA 1.638 59.861 58.200 0.039 0.000 1.074 844 S CB -0.301 62.915 63.200 0.026 0.000 0.962 844 S HN 0.252 nan 8.310 nan 0.000 0.433 845 I N 0.744 121.349 120.570 0.058 0.000 2.163 845 I HA -0.171 4.000 4.170 0.001 0.000 0.243 845 I C 2.139 178.311 176.117 0.091 0.000 1.085 845 I CA 1.462 62.800 61.300 0.063 0.000 1.347 845 I CB -1.476 36.564 38.000 0.066 0.000 1.044 845 I HN 0.282 nan 8.210 nan 0.000 0.408 846 F N 2.054 121.981 119.950 -0.038 0.000 2.126 846 F HA -0.178 4.349 4.527 0.001 0.000 0.299 846 F C 2.229 178.017 175.800 -0.021 0.000 1.096 846 F CA 1.619 59.589 58.000 -0.050 0.000 1.255 846 F CB -0.444 38.472 39.000 -0.140 0.000 0.997 846 F HN -0.074 nan 8.300 nan 0.000 0.479 847 L N -0.384 120.708 121.223 -0.218 0.000 2.395 847 L HA 0.081 4.422 4.340 0.001 0.000 0.218 847 L C 2.576 179.371 176.870 -0.125 0.000 1.130 847 L CA 0.797 55.484 54.840 -0.254 0.000 0.826 847 L CB -1.094 40.937 42.059 -0.048 0.000 0.941 847 L HN 0.301 nan 8.230 nan 0.000 0.451 848 G N -1.484 107.273 108.800 -0.070 0.000 2.623 848 G HA2 -0.107 3.854 3.960 0.001 0.000 0.214 848 G HA3 -0.107 3.854 3.960 0.001 0.000 0.214 848 G C 1.668 176.536 174.900 -0.055 0.000 1.138 848 G CA 0.496 45.569 45.100 -0.045 0.000 0.794 848 G HN 0.239 nan 8.290 nan 0.000 0.535 849 S N -0.613 115.044 115.700 -0.072 0.000 2.427 849 S HA 0.178 4.649 4.470 0.001 0.000 0.224 849 S C 1.739 176.288 174.600 -0.085 0.000 1.047 849 S CA -0.183 57.986 58.200 -0.053 0.000 0.953 849 S CB -0.155 63.049 63.200 0.006 0.000 0.824 849 S HN 0.282 nan 8.310 nan 0.000 0.502 850 F N 2.452 122.176 119.950 -0.376 0.000 2.128 850 F HA 0.033 4.560 4.527 0.001 0.000 0.295 850 F C 1.600 177.254 175.800 -0.244 0.000 1.100 850 F CA 1.268 59.039 58.000 -0.383 0.000 1.260 850 F CB 0.137 38.711 39.000 -0.710 0.000 1.009 850 F HN -0.010 nan 8.300 nan 0.000 0.476 851 R N -1.139 119.311 120.500 -0.083 0.000 3.953 851 R HA -0.273 4.068 4.340 0.001 0.000 0.448 851 R C 0.404 176.633 176.300 -0.119 0.000 1.016 851 R CA 1.176 57.207 56.100 -0.115 0.000 1.398 851 R CB -2.835 27.395 30.300 -0.117 0.000 2.021 851 R HN 0.403 nan 8.270 nan 0.000 0.538 852 M N 2.992 122.550 119.600 -0.070 0.000 2.188 852 M HA 0.204 4.685 4.480 0.001 0.000 0.354 852 M C -1.854 174.404 176.300 -0.071 0.000 1.342 852 M CA -1.345 53.934 55.300 -0.036 0.000 1.117 852 M CB 0.811 33.443 32.600 0.053 0.000 1.670 852 M HN -0.257 nan 8.290 nan 0.000 0.466 853 P HA -0.044 nan 4.420 nan 0.000 0.266 853 P C -0.618 176.655 177.300 -0.045 0.000 1.195 853 P CA 0.211 63.207 63.100 -0.174 0.000 0.768 853 P CB 0.219 31.880 31.700 -0.066 0.000 0.838 854 Y N 0.195 120.599 120.300 0.174 0.000 2.274 854 Y HA -0.179 4.371 4.550 0.001 0.000 0.290 854 Y C 2.333 178.311 175.900 0.129 0.000 1.145 854 Y CA 1.298 59.526 58.100 0.214 0.000 1.203 854 Y CB -0.795 37.820 38.460 0.258 0.000 0.984 854 Y HN 0.367 nan 8.280 nan 0.000 0.533 855 Q N 0.158 120.084 119.800 0.211 0.000 2.172 855 Q HA -0.179 4.162 4.340 0.001 0.000 0.200 855 Q C 2.153 178.211 176.000 0.097 0.000 0.964 855 Q CA 1.143 57.014 55.803 0.114 0.000 0.855 855 Q CB -0.191 28.587 28.738 0.066 0.000 0.918 855 Q HN 0.636 nan 8.270 nan 0.000 0.444 856 E N 0.088 120.347 120.200 0.098 0.000 2.107 856 E HA -0.118 4.233 4.350 0.001 0.000 0.191 856 E C 1.949 178.624 176.600 0.126 0.000 0.982 856 E CA 0.267 56.719 56.400 0.087 0.000 0.809 856 E CB 0.195 29.932 29.700 0.061 0.000 0.756 856 E HN 0.175 nan 8.360 nan 0.000 0.459 857 I N 1.707 122.390 120.570 0.188 0.000 2.118 857 I HA -0.322 3.849 4.170 0.001 0.000 0.241 857 I C 2.535 178.756 176.117 0.173 0.000 1.070 857 I CA 1.550 62.999 61.300 0.247 0.000 1.327 857 I CB -1.025 37.207 38.000 0.387 0.000 1.034 857 I HN 0.181 nan 8.210 nan 0.000 0.405 858 K N 1.149 121.625 120.400 0.127 0.000 2.097 858 K HA -0.167 4.154 4.320 0.001 0.000 0.206 858 K C 1.699 178.338 176.600 0.064 0.000 1.049 858 K CA 1.566 57.893 56.287 0.066 0.000 0.933 858 K CB -0.131 32.387 32.500 0.030 0.000 0.717 858 K HN 0.427 nan 8.250 nan 0.000 0.442 859 N N -0.253 118.489 118.700 0.070 0.000 2.459 859 N HA -0.092 4.649 4.740 0.001 0.000 0.181 859 N C 1.170 176.719 175.510 0.065 0.000 1.046 859 N CA 0.587 53.672 53.050 0.059 0.000 0.904 859 N CB 0.343 38.861 38.487 0.051 0.000 0.964 859 N HN 0.013 nan 8.380 nan 0.000 0.444 860 V N 0.529 120.494 119.914 0.084 0.000 3.471 860 V HA 0.024 4.145 4.120 0.001 0.000 0.258 860 V C 1.839 177.986 176.094 0.089 0.000 1.192 860 V CA 0.466 62.818 62.300 0.087 0.000 1.116 860 V CB 0.073 31.959 31.823 0.106 0.000 0.792 860 V HN 0.237 nan 8.190 nan 0.000 0.459 861 I N 0.197 120.822 120.570 0.091 0.000 2.235 861 I HA -0.075 4.095 4.170 0.001 0.000 0.241 861 I C 2.285 178.445 176.117 0.072 0.000 1.085 861 I CA 1.653 63.001 61.300 0.080 0.000 1.378 861 I CB -0.796 37.244 38.000 0.068 0.000 1.076 861 I HN 0.266 nan 8.210 nan 0.000 0.415 862 L N 0.255 121.517 121.223 0.065 0.000 2.093 862 L HA -0.152 4.189 4.340 0.001 0.000 0.208 862 L C 2.338 179.261 176.870 0.088 0.000 1.085 862 L CA 1.279 56.163 54.840 0.074 0.000 0.755 862 L CB -0.475 41.619 42.059 0.060 0.000 0.904 862 L HN 0.245 nan 8.230 nan 0.000 0.435 863 E N -0.428 119.814 120.200 0.070 0.000 2.285 863 E HA -0.028 4.323 4.350 0.001 0.000 0.194 863 E C 0.416 177.048 176.600 0.053 0.000 0.997 863 E CA 0.256 56.691 56.400 0.058 0.000 0.845 863 E CB 0.484 30.212 29.700 0.047 0.000 0.782 863 E HN 0.173 nan 8.360 nan 0.000 0.491 864 V N 2.544 122.494 119.914 0.061 0.000 5.949 864 V HA -0.232 3.889 4.120 0.001 0.000 0.287 864 V C -0.065 176.047 176.094 0.029 0.000 0.603 864 V CA 0.475 62.801 62.300 0.044 0.000 0.608 864 V CB -1.957 29.882 31.823 0.026 0.000 0.259 864 V HN 0.395 nan 8.190 nan 0.000 0.742 865 N N 1.107 119.830 118.700 0.038 0.000 2.399 865 N HA 0.111 4.852 4.740 0.001 0.000 0.259 865 N C 1.058 176.584 175.510 0.026 0.000 1.160 865 N CA 0.208 53.277 53.050 0.031 0.000 0.946 865 N CB 1.344 39.853 38.487 0.036 0.000 1.156 865 N HN 0.673 nan 8.380 nan 0.000 0.489 866 E N 2.890 123.100 120.200 0.017 0.000 2.268 866 E HA -0.020 4.331 4.350 0.001 0.000 0.195 866 E C 1.492 178.101 176.600 0.015 0.000 0.995 866 E CA 0.902 57.310 56.400 0.013 0.000 0.836 866 E CB 0.104 29.809 29.700 0.009 0.000 0.763 866 E HN 0.703 nan 8.360 nan 0.000 0.491 867 A N -0.539 122.289 122.820 0.015 0.000 2.067 867 A HA -0.028 4.292 4.320 0.001 0.000 0.217 867 A C 2.026 179.616 177.584 0.010 0.000 1.156 867 A CA 1.089 53.132 52.037 0.011 0.000 0.683 867 A CB 0.125 19.130 19.000 0.008 0.000 0.808 867 A HN 0.173 nan 8.150 nan 0.000 0.455 868 V N -0.527 119.398 119.914 0.018 0.000 2.627 868 V HA 0.152 4.273 4.120 0.001 0.000 0.239 868 V C 0.894 177.009 176.094 0.034 0.000 1.077 868 V CA 0.078 62.389 62.300 0.019 0.000 1.103 868 V CB -0.761 31.080 31.823 0.029 0.000 0.802 868 V HN 0.382 nan 8.190 nan 0.000 0.482 869 L N 2.820 124.075 121.223 0.053 0.000 2.462 869 L HA 0.319 4.660 4.340 0.001 0.000 0.272 869 L C 0.569 177.475 176.870 0.060 0.000 1.166 869 L CA 0.333 55.219 54.840 0.077 0.000 0.880 869 L CB 0.312 42.418 42.059 0.077 0.000 1.142 869 L HN 0.433 nan 8.230 nan 0.000 0.473 870 T N -2.106 112.494 114.554 0.075 0.000 2.952 870 T HA 0.209 4.560 4.350 0.001 0.000 0.286 870 T C 0.804 175.547 174.700 0.073 0.000 1.024 870 T CA -0.840 61.297 62.100 0.061 0.000 1.029 870 T CB 1.907 70.806 68.868 0.052 0.000 1.094 870 T HN 0.681 nan 8.240 nan 0.000 0.515 871 E N 0.354 120.587 120.200 0.055 0.000 2.097 871 E HA -0.216 4.135 4.350 0.001 0.000 0.196 871 E C 2.048 178.692 176.600 0.074 0.000 1.000 871 E CA 1.590 58.024 56.400 0.056 0.000 0.804 871 E CB -0.252 29.473 29.700 0.041 0.000 0.740 871 E HN 0.682 nan 8.360 nan 0.000 0.454 872 S N -0.278 115.470 115.700 0.080 0.000 2.382 872 S HA -0.183 4.287 4.470 0.001 0.000 0.228 872 S C 1.945 176.640 174.600 0.158 0.000 1.027 872 S CA 1.395 59.655 58.200 0.101 0.000 0.991 872 S CB -0.204 63.050 63.200 0.090 0.000 0.823 872 S HN 0.373 nan 8.310 nan 0.000 0.469 873 M N 0.856 120.567 119.600 0.186 0.000 2.064 873 M HA -0.050 4.431 4.480 0.001 0.000 0.260 873 M C 1.694 178.134 176.300 0.233 0.000 1.073 873 M CA 1.728 57.211 55.300 0.305 0.000 1.124 873 M CB -0.274 32.503 32.600 0.294 0.000 1.326 873 M HN 0.290 nan 8.290 nan 0.000 0.410 874 I N 0.448 121.111 120.570 0.154 0.000 2.264 874 I HA -0.297 3.873 4.170 0.001 0.000 0.248 874 I C 2.310 178.464 176.117 0.062 0.000 1.111 874 I CA 1.657 63.019 61.300 0.104 0.000 1.382 874 I CB -1.705 36.346 38.000 0.085 0.000 1.060 874 I HN 0.532 nan 8.210 nan 0.000 0.418 875 Q N 0.663 120.501 119.800 0.063 0.000 2.084 875 Q HA -0.210 4.130 4.340 0.001 0.000 0.202 875 Q C 2.038 178.031 176.000 -0.012 0.000 0.978 875 Q CA 1.731 57.553 55.803 0.032 0.000 0.844 875 Q CB -0.215 28.549 28.738 0.043 0.000 0.898 875 Q HN 0.631 nan 8.270 nan 0.000 0.426 876 N N 0.275 118.979 118.700 0.007 0.000 2.043 876 N HA -0.168 4.573 4.740 0.001 0.000 0.193 876 N C 1.791 177.107 175.510 -0.323 0.000 1.037 876 N CA 0.959 53.947 53.050 -0.104 0.000 0.851 876 N CB -0.111 38.446 38.487 0.116 0.000 1.027 876 N HN 0.114 nan 8.380 nan 0.000 0.422 877 L N 0.840 121.951 121.223 -0.186 0.000 2.083 877 L HA -0.149 4.192 4.340 0.001 0.000 0.209 877 L C 2.091 178.887 176.870 -0.123 0.000 1.083 877 L CA 0.964 55.699 54.840 -0.175 0.000 0.752 877 L CB -0.363 41.700 42.059 0.006 0.000 0.899 877 L HN 0.244 nan 8.230 nan 0.000 0.433 878 I N -0.539 119.987 120.570 -0.072 0.000 2.315 878 I HA -0.275 3.896 4.170 0.001 0.000 0.248 878 I C 2.670 178.738 176.117 -0.082 0.000 1.117 878 I CA 1.206 62.477 61.300 -0.049 0.000 1.404 878 I CB -0.294 37.698 38.000 -0.013 0.000 1.071 878 I HN 0.239 nan 8.210 nan 0.000 0.419 879 K N 0.440 120.765 120.400 -0.124 0.000 2.062 879 K HA -0.149 4.172 4.320 0.001 0.000 0.205 879 K C 2.153 178.644 176.600 -0.181 0.000 1.051 879 K CA 1.093 57.301 56.287 -0.131 0.000 0.941 879 K CB 0.153 32.577 32.500 -0.128 0.000 0.719 879 K HN 0.241 nan 8.250 nan 0.000 0.440 880 Q N -0.274 119.337 119.800 -0.314 0.000 2.269 880 Q HA 0.042 4.383 4.340 0.001 0.000 0.201 880 Q C 0.641 176.523 176.000 -0.196 0.000 0.946 880 Q CA 0.330 55.903 55.803 -0.384 0.000 0.877 880 Q CB 0.181 28.370 28.738 -0.916 0.000 0.963 880 Q HN 0.289 nan 8.270 nan 0.000 0.472 881 M N 2.300 121.836 119.600 -0.107 0.000 2.251 881 M HA 0.076 4.557 4.480 0.001 0.000 0.343 881 M C -1.999 174.305 176.300 0.008 0.000 1.245 881 M CA -1.230 54.088 55.300 0.029 0.000 1.061 881 M CB -0.450 32.170 32.600 0.034 0.000 1.723 881 M HN -0.129 nan 8.290 nan 0.000 0.449 882 P HA 0.098 nan 4.420 nan 0.000 0.272 882 P C -0.776 176.520 177.300 -0.006 0.000 1.230 882 P CA -0.303 62.804 63.100 0.010 0.000 0.788 882 P CB 0.323 32.036 31.700 0.021 0.000 0.949 883 E N 2.960 123.152 120.200 -0.013 0.000 2.343 883 E HA 0.164 4.515 4.350 0.001 0.000 0.269 883 E C -1.799 174.788 176.600 -0.022 0.000 1.047 883 E CA -1.891 54.498 56.400 -0.018 0.000 0.874 883 E CB -0.293 29.396 29.700 -0.017 0.000 1.033 883 E HN 0.207 nan 8.360 nan 0.000 0.409 884 P HA -0.327 nan 4.420 nan 0.000 0.225 884 P C 0.756 178.037 177.300 -0.032 0.000 1.154 884 P CA 1.951 65.031 63.100 -0.034 0.000 0.933 884 P CB 0.061 31.742 31.700 -0.033 0.000 0.790 885 E N -0.581 119.604 120.200 -0.026 0.000 2.085 885 E HA -0.220 4.131 4.350 0.001 0.000 0.194 885 E C 2.295 178.881 176.600 -0.023 0.000 0.994 885 E CA 1.112 57.498 56.400 -0.024 0.000 0.801 885 E CB -0.477 29.211 29.700 -0.020 0.000 0.743 885 E HN 0.481 nan 8.360 nan 0.000 0.453 886 Q N 0.231 120.019 119.800 -0.021 0.000 2.172 886 Q HA -0.063 4.277 4.340 0.001 0.000 0.200 886 Q C 2.321 178.307 176.000 -0.024 0.000 0.964 886 Q CA 0.676 56.468 55.803 -0.019 0.000 0.855 886 Q CB 0.032 28.763 28.738 -0.013 0.000 0.918 886 Q HN 0.306 nan 8.270 nan 0.000 0.444 887 L N 0.889 122.093 121.223 -0.031 0.000 2.017 887 L HA -0.224 4.117 4.340 0.001 0.000 0.208 887 L C 2.446 179.289 176.870 -0.045 0.000 1.073 887 L CA 1.541 56.354 54.840 -0.044 0.000 0.745 887 L CB -0.317 41.708 42.059 -0.056 0.000 0.894 887 L HN 0.172 nan 8.230 nan 0.000 0.432 888 K N -0.116 120.259 120.400 -0.042 0.000 2.217 888 K HA -0.118 4.203 4.320 0.001 0.000 0.202 888 K C 1.898 178.480 176.600 -0.031 0.000 1.051 888 K CA 1.417 57.680 56.287 -0.040 0.000 0.952 888 K CB -0.209 32.267 32.500 -0.041 0.000 0.736 888 K HN 0.167 nan 8.250 nan 0.000 0.453 889 M N 0.130 119.714 119.600 -0.027 0.000 2.394 889 M HA 0.010 4.491 4.480 0.001 0.000 0.264 889 M C 1.513 177.801 176.300 -0.019 0.000 1.073 889 M CA 1.179 56.466 55.300 -0.021 0.000 1.111 889 M CB 0.017 32.607 32.600 -0.018 0.000 1.401 889 M HN 0.208 nan 8.290 nan 0.000 0.448 890 L N -1.095 120.115 121.223 -0.022 0.000 2.354 890 L HA -0.029 4.312 4.340 0.001 0.000 0.212 890 L C 2.504 179.364 176.870 -0.016 0.000 1.091 890 L CA 0.582 55.411 54.840 -0.018 0.000 0.828 890 L CB -0.173 41.873 42.059 -0.022 0.000 0.973 890 L HN 0.288 nan 8.230 nan 0.000 0.461 891 S N -0.886 114.799 115.700 -0.026 0.000 2.547 891 S HA -0.142 4.329 4.470 0.001 0.000 0.235 891 S C 1.256 175.845 174.600 -0.019 0.000 0.980 891 S CA 0.750 58.934 58.200 -0.027 0.000 0.941 891 S CB -0.321 62.855 63.200 -0.041 0.000 0.763 891 S HN 0.464 nan 8.310 nan 0.000 0.532 892 E N -0.044 120.146 120.200 -0.015 0.000 2.419 892 E HA 0.274 4.625 4.350 0.001 0.000 0.190 892 E C -0.410 176.187 176.600 -0.004 0.000 1.040 892 E CA -0.080 56.313 56.400 -0.012 0.000 0.900 892 E CB 0.249 29.940 29.700 -0.014 0.000 1.054 892 E HN 0.359 nan 8.360 nan 0.000 0.462 893 L N -0.243 120.982 121.223 0.003 0.000 3.439 893 L HA 0.162 4.503 4.340 0.001 0.000 0.313 893 L C 1.156 178.046 176.870 0.032 0.000 1.292 893 L CA 0.135 54.982 54.840 0.013 0.000 1.020 893 L CB 0.423 42.487 42.059 0.008 0.000 1.424 893 L HN -0.124 nan 8.230 nan 0.000 0.612 894 K N 0.273 120.690 120.400 0.028 0.000 2.059 894 K HA -0.248 4.073 4.320 0.001 0.000 0.212 894 K C 1.725 178.362 176.600 0.062 0.000 1.050 894 K CA 1.920 58.231 56.287 0.040 0.000 0.927 894 K CB 0.105 32.608 32.500 0.005 0.000 0.714 894 K HN 0.356 nan 8.250 nan 0.000 0.447 895 E N 1.112 121.336 120.200 0.041 0.000 2.204 895 E HA -0.170 4.181 4.350 0.001 0.000 0.194 895 E C 0.546 177.186 176.600 0.068 0.000 0.989 895 E CA 0.825 57.251 56.400 0.043 0.000 0.824 895 E CB 0.207 29.921 29.700 0.024 0.000 0.756 895 E HN 0.401 nan 8.360 nan 0.000 0.477 896 E N -0.349 119.892 120.200 0.069 0.000 2.338 896 E HA -0.050 4.301 4.350 0.001 0.000 0.231 896 E C 0.671 177.323 176.600 0.087 0.000 1.231 896 E CA -0.372 56.065 56.400 0.063 0.000 1.490 896 E CB -0.199 29.518 29.700 0.030 0.000 1.360 896 E HN 0.305 nan 8.360 nan 0.000 0.435 897 Y N 2.160 122.460 120.300 -0.000 0.000 2.242 897 Y HA -0.165 4.386 4.550 0.001 0.000 0.291 897 Y C 1.378 177.286 175.900 0.012 0.000 1.137 897 Y CA 1.905 60.006 58.100 0.002 0.000 1.181 897 Y CB 0.315 38.778 38.460 0.005 0.000 0.989 897 Y HN 0.130 nan 8.280 nan 0.000 0.527 898 D N -0.327 120.119 120.400 0.078 0.000 2.317 898 D HA -0.121 4.520 4.640 0.001 0.000 0.211 898 D C 1.024 177.297 176.300 -0.045 0.000 0.966 898 D CA 1.061 55.068 54.000 0.011 0.000 0.876 898 D CB -0.139 40.714 40.800 0.088 0.000 0.927 898 D HN 0.528 nan 8.370 nan 0.000 0.519 899 D N 0.239 120.617 120.400 -0.038 0.000 2.354 899 D HA 0.054 4.695 4.640 0.001 0.000 0.209 899 D C 1.049 177.311 176.300 -0.063 0.000 1.015 899 D CA 0.048 54.026 54.000 -0.036 0.000 0.867 899 D CB 0.942 41.734 40.800 -0.013 0.000 0.933 899 D HN 0.210 nan 8.370 nan 0.000 0.520 900 L N 0.982 122.137 121.223 -0.113 0.000 2.418 900 L HA 0.350 4.691 4.340 0.001 0.000 0.265 900 L C 0.784 177.573 176.870 -0.136 0.000 1.143 900 L CA -0.779 53.986 54.840 -0.126 0.000 0.809 900 L CB 0.827 42.787 42.059 -0.164 0.000 1.124 900 L HN -0.116 nan 8.230 nan 0.000 0.456 901 A N 1.375 124.139 122.820 -0.093 0.000 2.386 901 A HA 0.111 4.432 4.320 0.001 0.000 0.248 901 A C 1.059 178.592 177.584 -0.084 0.000 1.082 901 A CA -0.230 51.766 52.037 -0.068 0.000 0.789 901 A CB 0.206 19.183 19.000 -0.038 0.000 1.025 901 A HN 0.922 nan 8.150 nan 0.000 0.490 902 E N 0.602 120.779 120.200 -0.038 0.000 2.171 902 E HA -0.219 4.132 4.350 0.001 0.000 0.197 902 E C 2.143 178.727 176.600 -0.027 0.000 0.997 902 E CA 1.703 58.104 56.400 0.001 0.000 0.810 902 E CB -0.108 29.646 29.700 0.090 0.000 0.738 902 E HN 0.878 nan 8.360 nan 0.000 0.467 903 S N 0.454 116.146 115.700 -0.014 0.000 2.402 903 S HA -0.133 4.338 4.470 0.001 0.000 0.229 903 S C 1.702 176.308 174.600 0.010 0.000 1.021 903 S CA 0.875 59.078 58.200 0.004 0.000 0.974 903 S CB -0.047 63.158 63.200 0.009 0.000 0.800 903 S HN 0.250 nan 8.310 nan 0.000 0.484 904 E N 0.853 121.029 120.200 -0.039 0.000 2.307 904 E HA 0.054 4.405 4.350 0.001 0.000 0.195 904 E C 2.280 178.822 176.600 -0.096 0.000 0.975 904 E CA 0.191 56.565 56.400 -0.044 0.000 0.878 904 E CB -0.123 29.548 29.700 -0.048 0.000 0.845 904 E HN 0.589 nan 8.360 nan 0.000 0.488 905 Q N 0.174 119.849 119.800 -0.209 0.000 2.152 905 Q HA -0.214 4.127 4.340 0.001 0.000 0.206 905 Q C 1.899 177.756 176.000 -0.238 0.000 0.985 905 Q CA 1.499 57.105 55.803 -0.328 0.000 0.863 905 Q CB -0.202 28.217 28.738 -0.531 0.000 0.904 905 Q HN 0.246 nan 8.270 nan 0.000 0.422 906 F N 0.420 120.027 119.950 -0.572 0.000 2.146 906 F HA -0.067 4.461 4.527 0.002 0.000 0.298 906 F C 2.042 177.745 175.800 -0.162 0.000 1.096 906 F CA 1.667 59.380 58.000 -0.480 0.000 1.275 906 F CB -0.542 38.244 39.000 -0.356 0.000 1.008 906 F HN 0.005 nan 8.300 nan 0.000 0.480 907 G N -0.189 108.566 108.800 -0.076 0.000 2.422 907 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 907 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 907 G C 1.692 176.513 174.900 -0.132 0.000 1.146 907 G CA 1.136 46.170 45.100 -0.109 0.000 0.769 907 G HN 0.344 nan 8.290 nan 0.000 0.547 908 V N 0.524 120.396 119.914 -0.070 0.000 2.307 908 V HA -0.143 3.978 4.120 0.001 0.000 0.245 908 V C 2.991 179.043 176.094 -0.069 0.000 1.045 908 V CA 1.372 63.657 62.300 -0.024 0.000 1.024 908 V CB -0.416 31.464 31.823 0.096 0.000 0.651 908 V HN 0.234 nan 8.190 nan 0.000 0.449 909 V N -0.323 119.538 119.914 -0.088 0.000 2.407 909 V HA -0.244 3.877 4.120 0.001 0.000 0.248 909 V C 2.299 178.273 176.094 -0.200 0.000 1.055 909 V CA 1.683 63.908 62.300 -0.124 0.000 1.049 909 V CB -0.555 31.225 31.823 -0.072 0.000 0.662 909 V HN 0.443 nan 8.190 nan 0.000 0.455 910 M N 0.170 119.564 119.600 -0.343 0.000 2.595 910 M HA 0.153 4.634 4.480 0.001 0.000 0.248 910 M C 2.024 178.201 176.300 -0.204 0.000 1.119 910 M CA 1.022 56.115 55.300 -0.345 0.000 1.079 910 M CB -1.183 31.055 32.600 -0.602 0.000 1.472 910 M HN 0.393 nan 8.290 nan 0.000 0.501 911 G N 0.403 109.108 108.800 -0.158 0.000 2.712 911 G HA2 -0.083 3.878 3.960 0.001 0.000 0.212 911 G HA3 -0.083 3.878 3.960 0.001 0.000 0.212 911 G C 1.530 176.375 174.900 -0.093 0.000 1.142 911 G CA 1.124 46.160 45.100 -0.107 0.000 0.789 911 G HN 0.529 nan 8.290 nan 0.000 0.535 912 T N -1.468 113.029 114.554 -0.095 0.000 3.051 912 T HA 0.162 4.513 4.350 0.001 0.000 0.255 912 T C 0.925 175.578 174.700 -0.077 0.000 1.085 912 T CA -0.078 61.975 62.100 -0.079 0.000 1.109 912 T CB 0.002 68.828 68.868 -0.071 0.000 0.921 912 T HN -0.090 nan 8.240 nan 0.000 0.488 913 V N 5.133 124.996 119.914 -0.085 0.000 2.446 913 V HA 0.282 4.403 4.120 0.001 0.000 0.276 913 V C -2.022 174.017 176.094 -0.091 0.000 1.030 913 V CA -1.882 60.374 62.300 -0.073 0.000 1.033 913 V CB -0.023 31.758 31.823 -0.069 0.000 0.993 913 V HN 0.386 nan 8.190 nan 0.000 0.477 914 P HA 0.246 nan 4.420 nan 0.000 0.279 914 P C -0.058 177.095 177.300 -0.244 0.000 1.239 914 P CA -0.492 62.497 63.100 -0.185 0.000 0.789 914 P CB 0.530 32.093 31.700 -0.228 0.000 0.933 915 R N 1.561 121.906 120.500 -0.258 0.000 3.092 915 R HA -0.178 4.163 4.340 0.001 0.000 0.245 915 R C 0.820 177.078 176.300 -0.069 0.000 0.881 915 R CA 0.150 56.119 56.100 -0.218 0.000 0.614 915 R CB -2.185 27.844 30.300 -0.452 0.000 1.128 915 R HN 0.621 nan 8.270 nan 0.000 0.483 916 L N 0.172 121.357 121.223 -0.064 0.000 2.131 916 L HA -0.107 4.233 4.340 0.001 0.000 0.206 916 L C 2.592 179.452 176.870 -0.016 0.000 1.087 916 L CA 1.247 56.064 54.840 -0.039 0.000 0.767 916 L CB -0.110 41.916 42.059 -0.054 0.000 0.917 916 L HN 0.247 nan 8.230 nan 0.000 0.441 917 R N 0.392 120.881 120.500 -0.018 0.000 2.083 917 R HA -0.156 4.185 4.340 0.001 0.000 0.237 917 R C -0.769 175.540 176.300 0.015 0.000 1.137 917 R CA 1.936 58.034 56.100 -0.005 0.000 0.951 917 R CB -1.274 29.019 30.300 -0.012 0.000 0.851 917 R HN 0.306 nan 8.270 nan 0.000 0.434 918 P HA -0.007 nan 4.420 nan 0.000 0.226 918 P C 0.581 177.923 177.300 0.068 0.000 1.161 918 P CA 0.779 63.917 63.100 0.064 0.000 0.804 918 P CB 0.001 31.766 31.700 0.109 0.000 0.829 919 R N -0.186 120.329 120.500 0.026 0.000 2.096 919 R HA -0.093 4.248 4.340 0.001 0.000 0.235 919 R C 1.677 177.991 176.300 0.024 0.000 1.127 919 R CA 1.177 57.227 56.100 -0.085 0.000 0.968 919 R CB -0.649 29.533 30.300 -0.196 0.000 0.861 919 R HN 0.098 nan 8.270 nan 0.000 0.440 920 L N 1.175 122.416 121.223 0.030 0.000 2.095 920 L HA -0.066 4.275 4.340 0.001 0.000 0.204 920 L C 1.841 178.750 176.870 0.065 0.000 1.080 920 L CA 1.434 56.303 54.840 0.048 0.000 0.759 920 L CB -0.871 41.210 42.059 0.036 0.000 0.914 920 L HN 0.137 nan 8.230 nan 0.000 0.439 921 N N -0.165 118.572 118.700 0.061 0.000 2.258 921 N HA -0.179 4.562 4.740 0.001 0.000 0.187 921 N C 1.735 177.306 175.510 0.102 0.000 1.012 921 N CA 1.408 54.500 53.050 0.070 0.000 0.870 921 N CB -0.084 38.429 38.487 0.043 0.000 0.977 921 N HN 0.404 nan 8.380 nan 0.000 0.434 922 A N 0.735 123.620 122.820 0.108 0.000 1.874 922 A HA 0.051 4.372 4.320 0.001 0.000 0.214 922 A C 2.292 179.923 177.584 0.078 0.000 1.189 922 A CA 0.548 52.659 52.037 0.123 0.000 0.615 922 A CB -0.480 18.614 19.000 0.157 0.000 0.830 922 A HN 0.184 nan 8.150 nan 0.000 0.443 923 I N -0.248 120.356 120.570 0.057 0.000 2.286 923 I HA -0.238 3.932 4.170 0.001 0.000 0.248 923 I C 2.446 178.566 176.117 0.004 0.000 1.115 923 I CA 1.265 62.562 61.300 -0.006 0.000 1.392 923 I CB -0.387 37.634 38.000 0.035 0.000 1.065 923 I HN 0.430 nan 8.210 nan 0.000 0.418 924 L N 0.736 121.999 121.223 0.066 0.000 1.989 924 L HA -0.259 4.081 4.340 0.001 0.000 0.211 924 L C 2.373 179.314 176.870 0.119 0.000 1.071 924 L CA 1.943 56.836 54.840 0.088 0.000 0.749 924 L CB -0.846 41.276 42.059 0.107 0.000 0.890 924 L HN 0.153 nan 8.230 nan 0.000 0.431 925 F N 0.428 120.387 119.950 0.015 0.000 2.216 925 F HA -0.206 4.322 4.527 0.001 0.000 0.300 925 F C 2.501 178.340 175.800 0.066 0.000 1.085 925 F CA 2.106 60.150 58.000 0.074 0.000 1.326 925 F CB -0.248 38.808 39.000 0.094 0.000 1.027 925 F HN 0.196 nan 8.300 nan 0.000 0.497 926 K N 0.174 120.467 120.400 -0.178 0.000 2.062 926 K HA -0.091 4.230 4.320 0.001 0.000 0.205 926 K C 1.978 178.457 176.600 -0.201 0.000 1.051 926 K CA 1.397 57.329 56.287 -0.592 0.000 0.941 926 K CB -0.227 31.694 32.500 -0.965 0.000 0.719 926 K HN 0.364 nan 8.250 nan 0.000 0.440 927 L N 0.731 121.892 121.223 -0.103 0.000 2.291 927 L HA -0.079 4.262 4.340 0.001 0.000 0.214 927 L C 2.210 179.081 176.870 0.002 0.000 1.120 927 L CA 0.951 55.775 54.840 -0.027 0.000 0.799 927 L CB -0.036 42.019 42.059 -0.007 0.000 0.925 927 L HN 0.236 nan 8.230 nan 0.000 0.446 928 Q N -1.676 118.118 119.800 -0.009 0.000 2.384 928 Q HA -0.024 4.317 4.340 0.001 0.000 0.207 928 Q C 1.825 177.797 176.000 -0.047 0.000 0.904 928 Q CA 0.177 55.969 55.803 -0.018 0.000 0.933 928 Q CB 0.226 28.961 28.738 -0.004 0.000 1.077 928 Q HN 0.367 nan 8.270 nan 0.000 0.522 929 F N 1.906 121.731 119.950 -0.208 0.000 2.069 929 F HA -0.281 4.247 4.527 0.002 0.000 0.298 929 F C 2.411 178.153 175.800 -0.097 0.000 1.113 929 F CA 2.002 59.864 58.000 -0.230 0.000 1.214 929 F CB -0.388 38.566 39.000 -0.077 0.000 0.978 929 F HN 0.036 nan 8.300 nan 0.000 0.474 930 S N -0.851 114.798 115.700 -0.084 0.000 2.447 930 S HA -0.169 4.302 4.470 0.001 0.000 0.233 930 S C 1.831 176.328 174.600 -0.171 0.000 1.006 930 S CA 1.207 59.312 58.200 -0.159 0.000 0.957 930 S CB -0.683 62.520 63.200 0.004 0.000 0.773 930 S HN 0.643 nan 8.310 nan 0.000 0.507 931 E N 1.615 121.736 120.200 -0.132 0.000 2.028 931 E HA -0.162 4.189 4.350 0.001 0.000 0.190 931 E C 2.429 178.952 176.600 -0.130 0.000 0.984 931 E CA 1.340 57.680 56.400 -0.100 0.000 0.800 931 E CB -0.193 29.474 29.700 -0.056 0.000 0.758 931 E HN 0.925 nan 8.360 nan 0.000 0.448 932 Q N 0.383 120.082 119.800 -0.168 0.000 2.488 932 Q HA -0.031 4.310 4.340 0.001 0.000 0.211 932 Q C 1.893 177.771 176.000 -0.202 0.000 0.967 932 Q CA 0.661 56.375 55.803 -0.148 0.000 0.926 932 Q CB 0.082 28.762 28.738 -0.098 0.000 0.992 932 Q HN 0.069 nan 8.270 nan 0.000 0.506 933 V N 1.644 121.368 119.914 -0.315 0.000 2.453 933 V HA -0.170 3.951 4.120 0.001 0.000 0.247 933 V C 1.590 177.591 176.094 -0.155 0.000 1.048 933 V CA 1.784 63.914 62.300 -0.284 0.000 1.049 933 V CB -0.231 31.359 31.823 -0.388 0.000 0.672 933 V HN 0.395 nan 8.190 nan 0.000 0.457 934 E N -0.055 120.066 120.200 -0.131 0.000 2.494 934 E HA -0.030 4.321 4.350 0.001 0.000 0.193 934 E C 1.059 177.623 176.600 -0.060 0.000 1.074 934 E CA 0.233 56.586 56.400 -0.080 0.000 0.867 934 E CB -0.080 29.580 29.700 -0.066 0.000 0.924 934 E HN 0.675 nan 8.360 nan 0.000 0.502 935 N N -0.573 118.088 118.700 -0.065 0.000 2.227 935 N HA 0.058 4.799 4.740 0.001 0.000 0.196 935 N C 0.946 176.435 175.510 -0.035 0.000 1.142 935 N CA 0.034 53.059 53.050 -0.042 0.000 0.887 935 N CB 0.682 39.148 38.487 -0.036 0.000 1.022 935 N HN 0.012 nan 8.380 nan 0.000 0.500 936 I N 0.448 120.991 120.570 -0.045 0.000 3.194 936 I HA 0.039 4.210 4.170 0.001 0.000 0.271 936 I C 2.080 178.181 176.117 -0.026 0.000 1.150 936 I CA 0.716 61.997 61.300 -0.032 0.000 1.440 936 I CB -1.003 36.974 38.000 -0.037 0.000 1.276 936 I HN 0.014 nan 8.210 nan 0.000 0.457 937 K N 2.270 122.647 120.400 -0.039 0.000 1.987 937 K HA -0.174 4.147 4.320 0.001 0.000 0.216 937 K C -0.666 175.922 176.600 -0.019 0.000 1.051 937 K CA 2.400 58.668 56.287 -0.031 0.000 0.942 937 K CB -1.125 31.351 32.500 -0.041 0.000 0.722 937 K HN 0.079 nan 8.250 nan 0.000 0.444 938 P HA -0.182 nan 4.420 nan 0.000 0.216 938 P C 0.472 177.771 177.300 -0.000 0.000 1.150 938 P CA 1.565 64.662 63.100 -0.006 0.000 0.843 938 P CB -0.029 31.666 31.700 -0.008 0.000 0.787 939 E N -0.897 119.300 120.200 -0.005 0.000 2.112 939 E HA -0.062 4.289 4.350 0.001 0.000 0.190 939 E C 2.111 178.713 176.600 0.002 0.000 0.979 939 E CA 0.796 57.196 56.400 -0.002 0.000 0.814 939 E CB -0.456 29.244 29.700 -0.001 0.000 0.762 939 E HN 0.312 nan 8.360 nan 0.000 0.460 940 I N 1.037 121.612 120.570 0.008 0.000 2.252 940 I HA -0.229 3.942 4.170 0.001 0.000 0.245 940 I C 2.461 178.572 176.117 -0.010 0.000 1.102 940 I CA 0.680 61.991 61.300 0.017 0.000 1.385 940 I CB -0.248 37.770 38.000 0.031 0.000 1.064 940 I HN -0.061 nan 8.210 nan 0.000 0.414 941 V N 0.449 120.350 119.914 -0.022 0.000 2.282 941 V HA -0.318 3.802 4.120 0.001 0.000 0.249 941 V C 2.557 178.607 176.094 -0.073 0.000 1.057 941 V CA 2.349 64.618 62.300 -0.052 0.000 1.032 941 V CB -0.678 31.119 31.823 -0.044 0.000 0.645 941 V HN 0.398 nan 8.190 nan 0.000 0.447 942 S N -0.337 115.354 115.700 -0.016 0.000 2.383 942 S HA -0.163 4.308 4.470 0.001 0.000 0.229 942 S C 1.903 176.455 174.600 -0.080 0.000 1.030 942 S CA 1.622 59.835 58.200 0.022 0.000 1.002 942 S CB -0.190 63.026 63.200 0.027 0.000 0.829 942 S HN 0.417 nan 8.310 nan 0.000 0.467 943 V N 1.262 121.123 119.914 -0.088 0.000 2.535 943 V HA -0.087 4.034 4.120 0.001 0.000 0.246 943 V C 2.443 178.503 176.094 -0.058 0.000 1.045 943 V CA 1.665 63.892 62.300 -0.122 0.000 1.058 943 V CB -1.252 30.546 31.823 -0.041 0.000 0.689 943 V HN 0.457 nan 8.190 nan 0.000 0.461 944 T N 1.047 115.579 114.554 -0.037 0.000 2.665 944 T HA -0.247 4.103 4.350 0.001 0.000 0.268 944 T C 2.070 176.746 174.700 -0.039 0.000 1.035 944 T CA 2.012 64.100 62.100 -0.021 0.000 1.151 944 T CB -0.446 68.400 68.868 -0.037 0.000 0.862 944 T HN 0.562 nan 8.240 nan 0.000 0.438 945 A N 1.218 123.968 122.820 -0.116 0.000 1.930 945 A HA 0.239 4.559 4.320 0.001 0.000 0.217 945 A C 2.643 180.194 177.584 -0.056 0.000 1.175 945 A CA 1.733 53.678 52.037 -0.152 0.000 0.627 945 A CB -1.049 17.691 19.000 -0.433 0.000 0.815 945 A HN 0.512 nan 8.150 nan 0.000 0.443 946 A N -0.930 121.835 122.820 -0.091 0.000 1.933 946 A HA -0.166 4.155 4.320 0.001 0.000 0.218 946 A C 2.299 179.966 177.584 0.139 0.000 1.175 946 A CA 1.675 53.635 52.037 -0.129 0.000 0.628 946 A CB -1.246 17.348 19.000 -0.677 0.000 0.814 946 A HN 0.589 nan 8.150 nan 0.000 0.444 947 C N -0.767 118.679 119.300 0.243 0.000 2.432 947 C HA -0.091 4.370 4.460 0.001 0.000 0.277 947 C C 2.656 177.800 174.990 0.257 0.000 1.249 947 C CA 1.132 60.396 59.018 0.410 0.000 1.725 947 C CB -1.280 26.671 27.740 0.352 0.000 2.028 947 C HN 0.684 nan 8.230 nan 0.000 0.477 948 E N 0.741 121.029 120.200 0.147 0.000 2.023 948 E HA -0.244 4.107 4.350 0.001 0.000 0.196 948 E C 2.056 178.728 176.600 0.119 0.000 1.003 948 E CA 1.517 57.976 56.400 0.099 0.000 0.809 948 E CB -0.289 29.436 29.700 0.042 0.000 0.755 948 E HN 0.665 nan 8.360 nan 0.000 0.449 949 E N 0.660 120.926 120.200 0.111 0.000 2.097 949 E HA -0.209 4.142 4.350 0.001 0.000 0.196 949 E C 2.162 178.858 176.600 0.160 0.000 1.000 949 E CA 0.757 57.228 56.400 0.119 0.000 0.804 949 E CB -0.122 29.639 29.700 0.101 0.000 0.740 949 E HN 0.185 nan 8.360 nan 0.000 0.454 950 L N 0.822 122.163 121.223 0.197 0.000 2.141 950 L HA -0.134 4.207 4.340 0.001 0.000 0.209 950 L C 2.418 179.502 176.870 0.357 0.000 1.094 950 L CA 1.407 56.371 54.840 0.207 0.000 0.763 950 L CB -0.233 41.973 42.059 0.245 0.000 0.908 950 L HN 0.036 nan 8.230 nan 0.000 0.437 951 R N 1.127 121.820 120.500 0.322 0.000 2.062 951 R HA -0.139 4.202 4.340 0.001 0.000 0.229 951 R C 2.292 178.718 176.300 0.210 0.000 1.128 951 R CA 1.765 58.039 56.100 0.291 0.000 0.960 951 R CB -0.227 30.149 30.300 0.126 0.000 0.855 951 R HN 0.405 nan 8.270 nan 0.000 0.432 952 K N -0.502 119.995 120.400 0.161 0.000 2.426 952 K HA 0.072 4.392 4.320 0.001 0.000 0.193 952 K C 0.066 176.761 176.600 0.159 0.000 1.028 952 K CA 0.477 56.837 56.287 0.121 0.000 1.047 952 K CB 0.192 32.739 32.500 0.078 0.000 0.821 952 K HN 0.038 nan 8.250 nan 0.000 0.513 953 S N 3.185 119.016 115.700 0.217 0.000 2.416 953 S HA 0.028 4.498 4.470 0.001 0.000 0.302 953 S C 0.964 175.730 174.600 0.278 0.000 1.120 953 S CA -0.655 57.687 58.200 0.236 0.000 1.067 953 S CB 0.615 63.968 63.200 0.255 0.000 1.057 953 S HN 0.414 nan 8.310 nan 0.000 0.518 954 E N 4.425 124.746 120.200 0.201 0.000 2.435 954 E HA -0.086 4.265 4.350 0.001 0.000 0.195 954 E C 0.600 177.282 176.600 0.136 0.000 1.029 954 E CA 0.335 56.834 56.400 0.166 0.000 0.865 954 E CB -0.253 29.516 29.700 0.115 0.000 0.833 954 E HN 0.593 nan 8.360 nan 0.000 0.510 955 N N 0.615 119.417 118.700 0.171 0.000 2.270 955 N HA -0.087 4.654 4.740 0.001 0.000 0.181 955 N C 1.423 176.993 175.510 0.100 0.000 1.016 955 N CA 0.758 53.901 53.050 0.156 0.000 0.870 955 N CB -0.442 38.180 38.487 0.226 0.000 0.979 955 N HN 0.214 nan 8.380 nan 0.000 0.431 956 F N 1.685 121.628 119.950 -0.013 0.000 2.128 956 F HA -0.090 4.438 4.527 0.002 0.000 0.295 956 F C 2.645 178.373 175.800 -0.120 0.000 1.100 956 F CA 1.250 59.112 58.000 -0.231 0.000 1.260 956 F CB -0.748 38.211 39.000 -0.069 0.000 1.009 956 F HN -0.046 nan 8.300 nan 0.000 0.476 957 S N -0.334 115.355 115.700 -0.018 0.000 2.365 957 S HA -0.252 4.219 4.470 0.001 0.000 0.225 957 S C 2.274 176.775 174.600 -0.164 0.000 1.039 957 S CA 2.178 60.334 58.200 -0.074 0.000 1.033 957 S CB -0.974 62.283 63.200 0.095 0.000 0.887 957 S HN 0.482 nan 8.310 nan 0.000 0.447 958 S N 1.323 116.960 115.700 -0.105 0.000 2.400 958 S HA 0.003 4.474 4.470 0.001 0.000 0.232 958 S C 1.736 176.233 174.600 -0.172 0.000 1.025 958 S CA 1.213 59.343 58.200 -0.117 0.000 0.993 958 S CB -0.583 62.576 63.200 -0.069 0.000 0.808 958 S HN 0.548 nan 8.310 nan 0.000 0.478 959 L N 1.128 122.203 121.223 -0.248 0.000 2.027 959 L HA -0.087 4.254 4.340 0.001 0.000 0.206 959 L C 1.997 178.749 176.870 -0.196 0.000 1.074 959 L CA 1.354 56.044 54.840 -0.251 0.000 0.745 959 L CB -0.324 41.464 42.059 -0.452 0.000 0.898 959 L HN 0.327 nan 8.230 nan 0.000 0.433 960 L N -0.420 120.614 121.223 -0.316 0.000 2.083 960 L HA -0.241 4.099 4.340 0.001 0.000 0.209 960 L C 2.539 179.383 176.870 -0.043 0.000 1.083 960 L CA 1.371 56.098 54.840 -0.187 0.000 0.752 960 L CB -0.660 41.156 42.059 -0.406 0.000 0.899 960 L HN 0.320 nan 8.230 nan 0.000 0.433 961 E N 0.183 120.323 120.200 -0.100 0.000 2.038 961 E HA -0.278 4.072 4.350 0.001 0.000 0.195 961 E C 2.170 178.760 176.600 -0.017 0.000 1.000 961 E CA 1.396 57.762 56.400 -0.056 0.000 0.803 961 E CB -0.315 29.336 29.700 -0.081 0.000 0.750 961 E HN 0.287 nan 8.360 nan 0.000 0.448 962 L N 1.263 122.459 121.223 -0.044 0.000 2.131 962 L HA -0.137 4.204 4.340 0.001 0.000 0.210 962 L C 2.191 179.088 176.870 0.046 0.000 1.092 962 L CA 1.812 56.639 54.840 -0.021 0.000 0.759 962 L CB -0.530 41.492 42.059 -0.061 0.000 0.903 962 L HN 0.039 nan 8.230 nan 0.000 0.435 963 T N -0.343 114.256 114.554 0.076 0.000 2.777 963 T HA -0.176 4.175 4.350 0.001 0.000 0.266 963 T C 1.781 176.535 174.700 0.090 0.000 1.040 963 T CA 1.571 63.731 62.100 0.099 0.000 1.141 963 T CB -0.427 68.536 68.868 0.158 0.000 0.868 963 T HN 0.291 nan 8.240 nan 0.000 0.444 964 L N 0.882 122.225 121.223 0.201 0.000 2.046 964 L HA 0.084 4.425 4.340 0.001 0.000 0.208 964 L C 2.178 179.087 176.870 0.064 0.000 1.077 964 L CA 1.408 56.353 54.840 0.175 0.000 0.747 964 L CB -0.896 41.269 42.059 0.176 0.000 0.896 964 L HN 0.158 nan 8.230 nan 0.000 0.432 965 L N -1.357 119.898 121.223 0.052 0.000 1.976 965 L HA -0.177 4.164 4.340 0.001 0.000 0.209 965 L C 2.408 179.319 176.870 0.069 0.000 1.071 965 L CA 1.887 56.753 54.840 0.042 0.000 0.746 965 L CB -0.628 41.449 42.059 0.030 0.000 0.890 965 L HN 0.098 nan 8.230 nan 0.000 0.432 966 V N 0.084 120.047 119.914 0.082 0.000 2.287 966 V HA -0.264 3.857 4.120 0.001 0.000 0.248 966 V C 2.597 178.749 176.094 0.097 0.000 1.053 966 V CA 1.915 64.286 62.300 0.118 0.000 1.027 966 V CB -1.658 30.265 31.823 0.167 0.000 0.646 966 V HN 0.671 nan 8.190 nan 0.000 0.447 967 G N 0.127 108.946 108.800 0.030 0.000 2.491 967 G HA2 -0.333 3.628 3.960 0.001 0.000 0.218 967 G HA3 -0.333 3.628 3.960 0.001 0.000 0.218 967 G C 1.421 176.311 174.900 -0.017 0.000 1.180 967 G CA 1.195 46.274 45.100 -0.035 0.000 0.774 967 G HN 0.520 nan 8.290 nan 0.000 0.562 968 N N -0.141 118.559 118.700 -0.000 0.000 2.037 968 N HA -0.181 4.560 4.740 0.001 0.000 0.196 968 N C 1.852 177.373 175.510 0.018 0.000 1.034 968 N CA 1.496 54.539 53.050 -0.011 0.000 0.861 968 N CB -0.724 37.755 38.487 -0.014 0.000 1.039 968 N HN 0.477 nan 8.380 nan 0.000 0.427 969 Y N 1.024 121.300 120.300 -0.040 0.000 2.224 969 Y HA -0.090 4.460 4.550 0.001 0.000 0.289 969 Y C 2.343 178.220 175.900 -0.039 0.000 1.146 969 Y CA 1.464 59.545 58.100 -0.032 0.000 1.182 969 Y CB -0.124 38.328 38.460 -0.012 0.000 0.983 969 Y HN 0.050 nan 8.280 nan 0.000 0.524 970 M N -0.409 119.230 119.600 0.066 0.000 2.132 970 M HA -0.221 4.259 4.480 0.001 0.000 0.263 970 M C 1.586 177.833 176.300 -0.088 0.000 1.065 970 M CA 1.388 56.681 55.300 -0.012 0.000 1.122 970 M CB -0.381 32.226 32.600 0.013 0.000 1.365 970 M HN 0.143 nan 8.290 nan 0.000 0.411 971 N N 0.689 119.337 118.700 -0.086 0.000 2.585 971 N HA 0.005 4.746 4.740 0.001 0.000 0.188 971 N C 1.032 176.471 175.510 -0.117 0.000 1.102 971 N CA 0.922 53.915 53.050 -0.096 0.000 0.920 971 N CB -0.293 38.139 38.487 -0.092 0.000 0.963 971 N HN 0.398 nan 8.380 nan 0.000 0.447 972 A N 0.007 122.724 122.820 -0.171 0.000 5.324 972 A HA -0.232 4.089 4.320 0.001 0.000 0.337 972 A C 0.939 178.441 177.584 -0.136 0.000 1.730 972 A CA 1.637 53.555 52.037 -0.199 0.000 0.711 972 A CB -1.694 17.196 19.000 -0.183 0.000 1.434 972 A HN 0.426 nan 8.150 nan 0.000 0.400 973 G N -1.262 107.473 108.800 -0.108 0.000 2.873 973 G HA2 0.635 4.596 3.960 0.001 0.000 0.340 973 G HA3 0.635 4.596 3.960 0.001 0.000 0.340 973 G C -0.411 174.451 174.900 -0.063 0.000 1.171 973 G CA 1.376 46.429 45.100 -0.079 0.000 1.113 973 G HN 1.577 nan 8.290 nan 0.000 0.471 974 S N 1.048 116.712 115.700 -0.060 0.000 2.790 974 S HA 0.426 4.897 4.470 0.001 0.000 0.292 974 S C 1.488 176.062 174.600 -0.043 0.000 1.197 974 S CA -0.480 57.691 58.200 -0.048 0.000 0.851 974 S CB 1.025 64.194 63.200 -0.051 0.000 1.217 974 S HN 0.583 nan 8.310 nan 0.000 0.526 975 R N 1.074 121.553 120.500 -0.035 0.000 2.122 975 R HA -0.092 4.249 4.340 0.001 0.000 0.236 975 R C -0.061 176.217 176.300 -0.037 0.000 1.129 975 R CA 2.083 58.166 56.100 -0.030 0.000 0.925 975 R CB -0.901 29.384 30.300 -0.024 0.000 0.850 975 R HN 0.680 nan 8.270 nan 0.000 0.431 976 N N 0.090 118.760 118.700 -0.050 0.000 2.430 976 N HA 0.378 5.119 4.740 0.001 0.000 0.265 976 N C -1.257 174.209 175.510 -0.073 0.000 1.100 976 N CA 0.090 53.101 53.050 -0.064 0.000 0.961 976 N CB 1.702 40.136 38.487 -0.088 0.000 1.075 976 N HN 0.463 nan 8.380 nan 0.000 0.478 977 A N 1.268 124.043 122.820 -0.075 0.000 2.572 977 A HA 0.581 4.902 4.320 0.001 0.000 0.303 977 A C 0.415 177.933 177.584 -0.110 0.000 1.059 977 A CA -0.304 51.680 52.037 -0.088 0.000 0.788 977 A CB 0.373 19.326 19.000 -0.079 0.000 1.282 977 A HN 0.841 nan 8.150 nan 0.000 0.397 978 G N 0.357 109.069 108.800 -0.147 0.000 2.246 978 G HA2 0.212 4.173 3.960 0.001 0.000 0.273 978 G HA3 0.212 4.173 3.960 0.001 0.000 0.273 978 G C 0.701 175.373 174.900 -0.380 0.000 1.055 978 G CA 0.717 45.665 45.100 -0.253 0.000 0.851 978 G HN 2.425 nan 8.290 nan 0.000 0.500 979 A N -0.697 121.982 122.820 -0.235 0.000 2.488 979 A HA 0.664 4.985 4.320 0.001 0.000 0.249 979 A C 0.822 178.273 177.584 -0.223 0.000 1.083 979 A CA 0.228 52.173 52.037 -0.155 0.000 0.768 979 A CB 0.139 19.116 19.000 -0.037 0.000 1.017 979 A HN 0.628 nan 8.150 nan 0.000 0.496 980 F N 1.863 121.810 119.950 -0.005 0.000 2.811 980 F HA 0.356 4.883 4.527 0.001 0.000 0.301 980 F C 1.540 177.314 175.800 -0.043 0.000 1.151 980 F CA 1.175 59.160 58.000 -0.024 0.000 1.412 980 F CB 0.160 39.139 39.000 -0.035 0.000 1.113 980 F HN 0.802 nan 8.300 nan 0.000 0.579 981 G N -0.334 108.529 108.800 0.105 0.000 2.338 981 G HA2 0.418 4.378 3.960 0.001 0.000 0.295 981 G HA3 0.418 4.378 3.960 0.001 0.000 0.295 981 G C -1.900 173.043 174.900 0.072 0.000 1.461 981 G CA -0.918 44.185 45.100 0.005 0.000 0.817 981 G HN 0.001 nan 8.290 nan 0.000 0.556 982 F N -0.936 118.992 119.950 -0.037 0.000 2.626 982 F HA 0.691 5.218 4.527 0.001 0.000 0.311 982 F C -0.471 175.319 175.800 -0.016 0.000 1.088 982 F CA -1.592 56.369 58.000 -0.065 0.000 0.949 982 F CB 1.716 40.628 39.000 -0.147 0.000 1.322 982 F HN 0.489 nan 8.300 nan 0.000 0.461 983 N N 2.002 120.829 118.700 0.211 0.000 2.431 983 N HA 0.105 4.845 4.740 0.001 0.000 0.265 983 N C 0.948 176.571 175.510 0.188 0.000 1.184 983 N CA -0.109 53.032 53.050 0.152 0.000 0.943 983 N CB 0.736 39.319 38.487 0.160 0.000 1.080 983 N HN 0.724 nan 8.380 nan 0.000 0.477 984 I N 3.175 123.753 120.570 0.013 0.000 2.229 984 I HA -0.403 3.768 4.170 0.001 0.000 0.250 984 I C 2.540 178.633 176.117 -0.040 0.000 1.096 984 I CA 1.278 62.543 61.300 -0.058 0.000 1.358 984 I CB -0.952 36.947 38.000 -0.169 0.000 1.047 984 I HN 0.616 nan 8.210 nan 0.000 0.422 985 S N 0.799 116.489 115.700 -0.016 0.000 2.370 985 S HA -0.286 4.185 4.470 0.001 0.000 0.226 985 S C 2.087 176.701 174.600 0.024 0.000 1.033 985 S CA 1.174 59.360 58.200 -0.023 0.000 1.011 985 S CB -1.486 61.732 63.200 0.030 0.000 0.852 985 S HN 0.476 nan 8.310 nan 0.000 0.457 986 F N 2.511 122.459 119.950 -0.004 0.000 2.287 986 F HA -0.023 4.506 4.527 0.003 0.000 0.301 986 F C 1.809 177.562 175.800 -0.078 0.000 1.069 986 F CA 0.888 58.880 58.000 -0.013 0.000 1.372 986 F CB -0.437 38.575 39.000 0.020 0.000 1.056 986 F HN 0.152 nan 8.300 nan 0.000 0.523 987 L N -1.045 120.155 121.223 -0.039 0.000 2.211 987 L HA -0.372 3.968 4.340 0.001 0.000 0.216 987 L C 2.388 179.139 176.870 -0.198 0.000 1.092 987 L CA 1.244 55.875 54.840 -0.348 0.000 0.767 987 L CB -1.030 40.406 42.059 -1.040 0.000 0.894 987 L HN 0.293 nan 8.230 nan 0.000 0.437 988 C N -1.079 118.139 119.300 -0.137 0.000 2.481 988 C HA -0.033 4.427 4.460 0.001 0.000 0.275 988 C C 2.549 177.442 174.990 -0.162 0.000 1.419 988 C CA 0.066 59.072 59.018 -0.019 0.000 1.773 988 C CB -0.551 27.183 27.740 -0.011 0.000 1.862 988 C HN 0.334 nan 8.230 nan 0.000 0.530 989 K N 0.810 120.932 120.400 -0.464 0.000 2.400 989 K HA 0.191 4.512 4.320 0.001 0.000 0.194 989 K C 1.709 178.052 176.600 -0.428 0.000 1.033 989 K CA 0.342 56.257 56.287 -0.621 0.000 1.021 989 K CB -0.212 31.542 32.500 -1.243 0.000 0.808 989 K HN 0.530 nan 8.250 nan 0.000 0.505 990 L N 0.344 121.419 121.223 -0.248 0.000 2.043 990 L HA -0.202 4.139 4.340 0.001 0.000 0.212 990 L C 2.644 179.524 176.870 0.016 0.000 1.075 990 L CA 1.390 56.238 54.840 0.013 0.000 0.752 990 L CB -0.412 41.725 42.059 0.130 0.000 0.891 990 L HN 0.172 nan 8.230 nan 0.000 0.432 991 R N 0.211 120.709 120.500 -0.003 0.000 2.105 991 R HA -0.186 4.154 4.340 0.001 0.000 0.239 991 R C 1.373 177.651 176.300 -0.036 0.000 1.135 991 R CA 1.779 57.858 56.100 -0.036 0.000 0.967 991 R CB -0.112 30.164 30.300 -0.040 0.000 0.861 991 R HN 0.386 nan 8.270 nan 0.000 0.442 992 D N -0.285 120.085 120.400 -0.050 0.000 2.349 992 D HA -0.015 4.625 4.640 0.001 0.000 0.224 992 D C -0.157 176.140 176.300 -0.005 0.000 1.029 992 D CA 0.704 54.683 54.000 -0.036 0.000 0.879 992 D CB 0.478 41.240 40.800 -0.064 0.000 0.906 992 D HN 0.136 nan 8.370 nan 0.000 0.528 993 T N 2.936 117.497 114.554 0.013 0.000 3.145 993 T HA 0.172 4.523 4.350 0.001 0.000 0.348 993 T C 0.470 175.188 174.700 0.031 0.000 1.299 993 T CA -0.745 61.375 62.100 0.034 0.000 1.037 993 T CB 0.760 69.667 68.868 0.065 0.000 1.122 993 T HN 0.031 nan 8.240 nan 0.000 0.600 994 K N 0.598 121.014 120.400 0.025 0.000 2.238 994 K HA 0.624 4.944 4.320 0.001 0.000 0.239 994 K C 0.214 176.824 176.600 0.016 0.000 0.987 994 K CA -0.770 55.536 56.287 0.032 0.000 0.857 994 K CB 0.947 33.474 32.500 0.045 0.000 1.154 994 K HN 0.404 nan 8.250 nan 0.000 0.439 995 S N -0.331 115.378 115.700 0.015 0.000 2.580 995 S HA 0.172 4.643 4.470 0.001 0.000 0.266 995 S C 1.424 176.025 174.600 0.001 0.000 1.354 995 S CA -0.028 58.170 58.200 -0.004 0.000 1.008 995 S CB 0.592 63.788 63.200 -0.008 0.000 0.898 995 S HN 0.750 nan 8.310 nan 0.000 0.555 996 A N 1.317 124.134 122.820 -0.006 0.000 1.908 996 A HA -0.137 4.184 4.320 0.001 0.000 0.218 996 A C 1.669 179.253 177.584 0.001 0.000 1.181 996 A CA 1.839 53.875 52.037 -0.003 0.000 0.627 996 A CB -1.455 17.541 19.000 -0.006 0.000 0.818 996 A HN 1.029 nan 8.150 nan 0.000 0.445 997 D N -1.528 118.873 120.400 0.001 0.000 2.363 997 D HA -0.039 4.602 4.640 0.001 0.000 0.226 997 D C 0.593 176.898 176.300 0.008 0.000 1.020 997 D CA 0.534 54.536 54.000 0.003 0.000 0.892 997 D CB -0.573 40.228 40.800 0.001 0.000 0.900 997 D HN 0.501 nan 8.370 nan 0.000 0.531 998 Q N -0.783 119.025 119.800 0.014 0.000 2.434 998 Q HA -0.275 4.066 4.340 0.001 0.000 0.299 998 Q C 0.315 176.330 176.000 0.025 0.000 1.286 998 Q CA 0.770 56.587 55.803 0.023 0.000 0.872 998 Q CB -0.989 27.761 28.738 0.019 0.000 1.193 998 Q HN 0.534 nan 8.270 nan 0.000 0.466 999 K N -0.619 119.794 120.400 0.022 0.000 2.370 999 K HA 0.158 4.479 4.320 0.001 0.000 0.194 999 K C 0.638 177.243 176.600 0.008 0.000 1.070 999 K CA 0.937 57.230 56.287 0.009 0.000 0.998 999 K CB 0.488 32.985 32.500 -0.004 0.000 0.911 999 K HN 0.356 nan 8.250 nan 0.000 0.533 1000 M N -0.951 118.682 119.600 0.055 0.000 2.520 1000 M HA 0.327 4.808 4.480 0.001 0.000 0.283 1000 M C -0.493 175.941 176.300 0.223 0.000 1.237 1000 M CA -0.809 54.575 55.300 0.140 0.000 0.885 1000 M CB 1.940 34.577 32.600 0.061 0.000 1.727 1000 M HN -0.064 nan 8.290 nan 0.000 0.468 1001 T N -0.768 114.023 114.554 0.396 0.000 2.910 1001 T HA 0.518 4.869 4.350 0.001 0.000 0.279 1001 T C 0.702 175.489 174.700 0.145 0.000 0.989 1001 T CA -0.857 61.340 62.100 0.163 0.000 0.968 1001 T CB 1.083 69.937 68.868 -0.024 0.000 1.135 1001 T HN 0.932 nan 8.240 nan 0.000 0.562 1002 L N 0.090 121.369 121.223 0.094 0.000 2.141 1002 L HA 0.119 4.460 4.340 0.001 0.000 0.209 1002 L C 2.474 179.443 176.870 0.166 0.000 1.094 1002 L CA 0.943 55.867 54.840 0.139 0.000 0.763 1002 L CB -0.424 41.696 42.059 0.102 0.000 0.908 1002 L HN 0.685 nan 8.230 nan 0.000 0.437 1003 L N -0.867 120.395 121.223 0.064 0.000 2.046 1003 L HA -0.282 4.059 4.340 0.001 0.000 0.208 1003 L C 2.385 179.252 176.870 -0.006 0.000 1.077 1003 L CA 1.734 56.598 54.840 0.040 0.000 0.747 1003 L CB -0.460 41.554 42.059 -0.075 0.000 0.896 1003 L HN 0.429 nan 8.230 nan 0.000 0.432 1004 H N -1.819 117.285 119.070 0.057 0.000 2.321 1004 H HA -0.266 4.290 4.556 0.001 0.000 0.300 1004 H C 1.912 177.277 175.328 0.061 0.000 1.087 1004 H CA 2.078 58.134 56.048 0.013 0.000 1.319 1004 H CB -0.146 29.634 29.762 0.031 0.000 1.379 1004 H HN 0.283 nan 8.280 nan 0.000 0.501 1005 F N 0.636 120.663 119.950 0.129 0.000 2.134 1005 F HA -0.178 4.350 4.527 0.001 0.000 0.299 1005 F C 2.083 177.936 175.800 0.087 0.000 1.097 1005 F CA 0.779 58.831 58.000 0.087 0.000 1.264 1005 F CB -0.283 38.762 39.000 0.075 0.000 1.001 1005 F HN 0.047 nan 8.300 nan 0.000 0.479 1006 L N 0.351 121.654 121.223 0.133 0.000 2.056 1006 L HA -0.031 4.310 4.340 0.001 0.000 0.207 1006 L C 2.556 179.472 176.870 0.076 0.000 1.078 1006 L CA 1.891 56.786 54.840 0.093 0.000 0.749 1006 L CB -1.310 40.893 42.059 0.239 0.000 0.901 1006 L HN 0.187 nan 8.230 nan 0.000 0.433 1007 A N -1.376 121.455 122.820 0.018 0.000 1.930 1007 A HA -0.228 4.093 4.320 0.001 0.000 0.217 1007 A C 2.321 179.862 177.584 -0.071 0.000 1.175 1007 A CA 1.676 53.635 52.037 -0.131 0.000 0.627 1007 A CB -0.528 18.181 19.000 -0.485 0.000 0.815 1007 A HN 0.521 nan 8.150 nan 0.000 0.443 1008 E N -0.716 119.427 120.200 -0.096 0.000 2.152 1008 E HA -0.111 4.240 4.350 0.001 0.000 0.192 1008 E C 1.846 178.358 176.600 -0.146 0.000 0.983 1008 E CA 0.457 56.792 56.400 -0.109 0.000 0.818 1008 E CB -0.066 29.572 29.700 -0.103 0.000 0.758 1008 E HN 0.400 nan 8.360 nan 0.000 0.467 1009 L N 0.819 121.896 121.223 -0.243 0.000 2.046 1009 L HA -0.194 4.147 4.340 0.001 0.000 0.208 1009 L C 2.268 179.146 176.870 0.013 0.000 1.077 1009 L CA 1.418 56.140 54.840 -0.196 0.000 0.747 1009 L CB -1.131 40.766 42.059 -0.270 0.000 0.896 1009 L HN 0.380 nan 8.230 nan 0.000 0.432 1010 C N -0.613 118.741 119.300 0.089 0.000 2.453 1010 C HA -0.150 4.311 4.460 0.001 0.000 0.277 1010 C C 2.669 177.731 174.990 0.120 0.000 1.262 1010 C CA 0.681 59.812 59.018 0.189 0.000 1.718 1010 C CB -0.589 27.326 27.740 0.292 0.000 2.031 1010 C HN 0.543 nan 8.230 nan 0.000 0.480 1011 E N 1.017 121.257 120.200 0.068 0.000 2.049 1011 E HA -0.232 4.119 4.350 0.001 0.000 0.198 1011 E C 1.842 178.443 176.600 0.003 0.000 1.007 1011 E CA 1.621 58.040 56.400 0.032 0.000 0.809 1011 E CB -0.070 29.628 29.700 -0.005 0.000 0.749 1011 E HN 0.557 nan 8.360 nan 0.000 0.450 1012 N N 0.494 119.177 118.700 -0.028 0.000 2.062 1012 N HA -0.119 4.622 4.740 0.001 0.000 0.191 1012 N C 1.293 176.753 175.510 -0.084 0.000 1.042 1012 N CA 1.705 54.724 53.050 -0.052 0.000 0.845 1012 N CB -0.323 38.125 38.487 -0.066 0.000 1.024 1012 N HN 0.163 nan 8.380 nan 0.000 0.424 1013 D N -1.168 119.155 120.400 -0.129 0.000 2.338 1013 D HA 0.062 4.703 4.640 0.001 0.000 0.208 1013 D C -0.058 175.898 176.300 -0.574 0.000 0.997 1013 D CA 0.732 54.530 54.000 -0.337 0.000 0.880 1013 D CB 0.205 40.773 40.800 -0.388 0.000 0.980 1013 D HN 0.368 nan 8.370 nan 0.000 0.509 1014 H N -0.614 118.469 119.070 0.021 0.000 2.439 1014 H HA 0.209 4.766 4.556 0.001 0.000 0.228 1014 H C -2.015 173.352 175.328 0.065 0.000 1.423 1014 H CA -1.262 54.810 56.048 0.041 0.000 1.386 1014 H CB 1.350 31.138 29.762 0.043 0.000 1.641 1014 H HN 0.008 nan 8.280 nan 0.000 0.508 1015 P HA -0.162 nan 4.420 nan 0.000 0.225 1015 P C 1.705 179.081 177.300 0.126 0.000 1.148 1015 P CA 0.943 64.106 63.100 0.104 0.000 0.779 1015 P CB 0.427 32.162 31.700 0.058 0.000 0.780 1016 E N -0.219 120.062 120.200 0.134 0.000 2.204 1016 E HA -0.087 4.264 4.350 0.001 0.000 0.194 1016 E C 1.724 178.423 176.600 0.165 0.000 0.989 1016 E CA 1.098 57.577 56.400 0.131 0.000 0.824 1016 E CB -1.400 28.370 29.700 0.118 0.000 0.756 1016 E HN 0.124 nan 8.360 nan 0.000 0.477 1017 V N 1.840 121.870 119.914 0.193 0.000 2.626 1017 V HA -0.173 3.948 4.120 0.001 0.000 0.252 1017 V C 2.470 178.771 176.094 0.346 0.000 1.067 1017 V CA 1.094 63.529 62.300 0.226 0.000 1.081 1017 V CB -0.597 31.331 31.823 0.174 0.000 0.686 1017 V HN 0.208 nan 8.190 nan 0.000 0.468 1018 L N -0.428 120.971 121.223 0.293 0.000 2.549 1018 L HA -0.060 4.281 4.340 0.001 0.000 0.229 1018 L C 1.923 178.876 176.870 0.137 0.000 1.158 1018 L CA 1.105 56.114 54.840 0.282 0.000 0.842 1018 L CB -0.444 41.743 42.059 0.213 0.000 0.952 1018 L HN 0.307 nan 8.230 nan 0.000 0.452 1019 K N -0.214 120.274 120.400 0.146 0.000 2.410 1019 K HA 0.034 4.355 4.320 0.001 0.000 0.200 1019 K C 1.558 178.212 176.600 0.089 0.000 1.023 1019 K CA 0.016 56.349 56.287 0.077 0.000 1.149 1019 K CB 0.246 32.798 32.500 0.087 0.000 0.859 1019 K HN 0.246 nan 8.250 nan 0.000 0.514 1020 F N 0.671 120.648 119.950 0.045 0.000 2.259 1020 F HA 0.120 4.648 4.527 0.002 0.000 0.298 1020 F C -1.293 174.513 175.800 0.011 0.000 1.088 1020 F CA -0.238 57.792 58.000 0.051 0.000 1.358 1020 F CB -1.229 37.829 39.000 0.096 0.000 1.040 1020 F HN -0.104 nan 8.300 nan 0.000 0.505 1021 P HA -0.076 nan 4.420 nan 0.000 0.226 1021 P C 0.714 177.863 177.300 -0.252 0.000 1.153 1021 P CA 1.435 64.151 63.100 -0.640 0.000 0.777 1021 P CB -0.017 31.310 31.700 -0.621 0.000 0.794 1022 D N -0.952 119.357 120.400 -0.151 0.000 2.327 1022 D HA -0.017 4.624 4.640 0.001 0.000 0.205 1022 D C 1.553 177.848 176.300 -0.008 0.000 0.989 1022 D CA 0.603 54.565 54.000 -0.064 0.000 0.873 1022 D CB 0.088 40.864 40.800 -0.040 0.000 0.955 1022 D HN 0.291 nan 8.370 nan 0.000 0.515 1023 E N 0.258 120.474 120.200 0.026 0.000 2.285 1023 E HA 0.029 4.380 4.350 0.001 0.000 0.194 1023 E C 0.522 177.165 176.600 0.072 0.000 0.997 1023 E CA 0.359 56.802 56.400 0.073 0.000 0.845 1023 E CB 0.284 30.060 29.700 0.127 0.000 0.782 1023 E HN 0.203 nan 8.360 nan 0.000 0.491 1024 L N 0.728 121.979 121.223 0.046 0.000 2.556 1024 L HA 0.345 4.685 4.340 0.001 0.000 0.245 1024 L C 0.958 177.836 176.870 0.014 0.000 1.174 1024 L CA -0.553 54.311 54.840 0.041 0.000 1.117 1024 L CB 0.643 42.719 42.059 0.028 0.000 1.409 1024 L HN 0.036 nan 8.230 nan 0.000 0.411 1025 A N -0.037 122.804 122.820 0.035 0.000 1.903 1025 A HA -0.091 4.230 4.320 0.001 0.000 0.213 1025 A C 1.606 179.147 177.584 -0.070 0.000 1.185 1025 A CA 0.887 52.916 52.037 -0.014 0.000 0.628 1025 A CB -0.365 18.640 19.000 0.008 0.000 0.830 1025 A HN 0.667 nan 8.150 nan 0.000 0.446 1026 H N -1.064 117.977 119.070 -0.049 0.000 2.555 1026 H HA 0.283 4.841 4.556 0.002 0.000 0.283 1026 H C 1.395 176.637 175.328 -0.144 0.000 1.037 1026 H CA 0.352 56.351 56.048 -0.082 0.000 1.169 1026 H CB 0.279 29.990 29.762 -0.084 0.000 1.375 1026 H HN 0.229 nan 8.280 nan 0.000 0.582 1027 V N -0.369 119.521 119.914 -0.041 0.000 2.446 1027 V HA -0.157 3.964 4.120 0.001 0.000 0.244 1027 V C 2.324 178.400 176.094 -0.030 0.000 1.039 1027 V CA 1.570 63.813 62.300 -0.095 0.000 1.045 1027 V CB 0.034 31.882 31.823 0.041 0.000 0.681 1027 V HN 0.521 nan 8.190 nan 0.000 0.459 1028 E N 0.444 120.677 120.200 0.055 0.000 2.070 1028 E HA -0.318 4.033 4.350 0.001 0.000 0.197 1028 E C 2.210 178.756 176.600 -0.089 0.000 1.004 1028 E CA 1.819 58.248 56.400 0.047 0.000 0.805 1028 E CB -0.070 29.689 29.700 0.098 0.000 0.744 1028 E HN 0.501 nan 8.360 nan 0.000 0.451 1029 K N -0.291 120.058 120.400 -0.085 0.000 2.152 1029 K HA -0.135 4.186 4.320 0.001 0.000 0.206 1029 K C 1.963 178.511 176.600 -0.085 0.000 1.048 1029 K CA 1.109 57.347 56.287 -0.081 0.000 0.933 1029 K CB -0.091 32.372 32.500 -0.061 0.000 0.721 1029 K HN 0.187 nan 8.250 nan 0.000 0.447 1030 A N 0.814 123.553 122.820 -0.136 0.000 1.929 1030 A HA -0.123 4.197 4.320 0.001 0.000 0.216 1030 A C 2.030 179.578 177.584 -0.061 0.000 1.176 1030 A CA 1.722 53.651 52.037 -0.180 0.000 0.628 1030 A CB -0.513 18.167 19.000 -0.533 0.000 0.816 1030 A HN 0.371 nan 8.150 nan 0.000 0.444 1031 S N -0.624 115.055 115.700 -0.035 0.000 2.507 1031 S HA -0.057 4.414 4.470 0.001 0.000 0.235 1031 S C 1.545 176.130 174.600 -0.025 0.000 0.988 1031 S CA 1.017 59.227 58.200 0.017 0.000 0.944 1031 S CB -0.258 62.914 63.200 -0.046 0.000 0.762 1031 S HN 0.579 nan 8.310 nan 0.000 0.526 1032 R N 0.429 120.900 120.500 -0.049 0.000 2.432 1032 R HA 0.340 4.680 4.340 0.001 0.000 0.260 1032 R C -0.811 175.477 176.300 -0.020 0.000 0.935 1032 R CA -0.088 55.986 56.100 -0.043 0.000 1.080 1032 R CB 0.740 31.003 30.300 -0.063 0.000 1.155 1032 R HN 0.263 nan 8.270 nan 0.000 0.531 1033 V N 0.890 120.800 119.914 -0.008 0.000 2.439 1033 V HA 0.123 4.244 4.120 0.001 0.000 0.282 1033 V C 0.356 176.460 176.094 0.018 0.000 1.039 1033 V CA -0.490 61.811 62.300 0.003 0.000 0.913 1033 V CB 1.674 33.498 31.823 0.001 0.000 0.983 1033 V HN 0.046 nan 8.190 nan 0.000 0.460 1034 S N 3.553 119.264 115.700 0.018 0.000 2.481 1034 S HA 0.430 4.901 4.470 0.001 0.000 0.276 1034 S C 1.205 175.825 174.600 0.033 0.000 1.247 1034 S CA 0.027 58.242 58.200 0.025 0.000 1.053 1034 S CB 1.129 64.342 63.200 0.021 0.000 0.925 1034 S HN 0.941 nan 8.310 nan 0.000 0.491 1035 A N 4.532 127.374 122.820 0.036 0.000 1.855 1035 A HA -0.049 4.272 4.320 0.001 0.000 0.215 1035 A C 2.014 179.635 177.584 0.060 0.000 1.191 1035 A CA 1.475 53.537 52.037 0.042 0.000 0.613 1035 A CB -0.781 18.233 19.000 0.023 0.000 0.829 1035 A HN 0.912 nan 8.150 nan 0.000 0.442 1036 E N -0.247 119.983 120.200 0.050 0.000 2.106 1036 E HA -0.191 4.160 4.350 0.001 0.000 0.192 1036 E C 1.522 178.145 176.600 0.038 0.000 0.984 1036 E CA 1.197 57.627 56.400 0.050 0.000 0.806 1036 E CB -0.125 29.601 29.700 0.043 0.000 0.750 1036 E HN 0.610 nan 8.360 nan 0.000 0.458 1037 N N 0.332 119.050 118.700 0.031 0.000 2.453 1037 N HA -0.092 4.649 4.740 0.001 0.000 0.183 1037 N C 1.631 177.146 175.510 0.009 0.000 1.041 1037 N CA 0.488 53.550 53.050 0.021 0.000 0.900 1037 N CB -0.012 38.486 38.487 0.020 0.000 0.961 1037 N HN 0.183 nan 8.380 nan 0.000 0.443 1038 L N 0.200 121.430 121.223 0.013 0.000 2.072 1038 L HA -0.118 4.223 4.340 0.001 0.000 0.205 1038 L C 2.326 179.121 176.870 -0.124 0.000 1.079 1038 L CA 0.994 55.819 54.840 -0.025 0.000 0.752 1038 L CB -0.261 41.823 42.059 0.043 0.000 0.906 1038 L HN 0.231 nan 8.230 nan 0.000 0.436 1039 Q N 0.357 120.105 119.800 -0.085 0.000 2.030 1039 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 1039 Q C 2.201 178.177 176.000 -0.039 0.000 0.986 1039 Q CA 1.643 57.389 55.803 -0.096 0.000 0.843 1039 Q CB -0.197 28.554 28.738 0.022 0.000 0.904 1039 Q HN 0.449 nan 8.270 nan 0.000 0.420 1040 K N 0.044 120.442 120.400 -0.003 0.000 2.160 1040 K HA -0.111 4.210 4.320 0.001 0.000 0.206 1040 K C 2.260 178.872 176.600 0.020 0.000 1.047 1040 K CA 1.406 57.701 56.287 0.014 0.000 0.930 1040 K CB -0.009 32.503 32.500 0.020 0.000 0.720 1040 K HN 0.035 nan 8.250 nan 0.000 0.450 1041 S N 0.988 116.693 115.700 0.010 0.000 2.377 1041 S HA -0.001 4.470 4.470 0.001 0.000 0.223 1041 S C 1.870 176.505 174.600 0.057 0.000 1.030 1041 S CA 0.787 59.005 58.200 0.030 0.000 0.970 1041 S CB -0.038 63.170 63.200 0.012 0.000 0.830 1041 S HN 0.181 nan 8.310 nan 0.000 0.473 1042 L N 1.329 122.571 121.223 0.032 0.000 2.131 1042 L HA -0.064 4.277 4.340 0.001 0.000 0.206 1042 L C 1.991 178.943 176.870 0.136 0.000 1.087 1042 L CA 0.894 55.801 54.840 0.112 0.000 0.767 1042 L CB -0.583 41.497 42.059 0.035 0.000 0.917 1042 L HN 0.169 nan 8.230 nan 0.000 0.441 1043 D N -0.175 120.265 120.400 0.068 0.000 2.144 1043 D HA -0.238 4.403 4.640 0.001 0.000 0.199 1043 D C 2.111 178.432 176.300 0.034 0.000 0.984 1043 D CA 1.140 55.171 54.000 0.052 0.000 0.834 1043 D CB -0.048 40.773 40.800 0.035 0.000 0.955 1043 D HN 0.358 nan 8.370 nan 0.000 0.465 1044 Q N -0.443 119.385 119.800 0.047 0.000 2.230 1044 Q HA -0.025 4.316 4.340 0.001 0.000 0.202 1044 Q C 2.084 178.126 176.000 0.070 0.000 0.963 1044 Q CA 0.472 56.304 55.803 0.048 0.000 0.866 1044 Q CB 0.080 28.856 28.738 0.064 0.000 0.931 1044 Q HN 0.225 nan 8.270 nan 0.000 0.452 1045 M N 0.047 119.719 119.600 0.121 0.000 2.123 1045 M HA -0.169 4.312 4.480 0.001 0.000 0.263 1045 M C 2.173 178.473 176.300 -0.000 0.000 1.069 1045 M CA 1.379 56.798 55.300 0.198 0.000 1.133 1045 M CB -0.070 32.706 32.600 0.292 0.000 1.356 1045 M HN 0.002 nan 8.290 nan 0.000 0.415 1046 K N 0.609 120.933 120.400 -0.128 0.000 2.020 1046 K HA -0.277 4.044 4.320 0.001 0.000 0.212 1046 K C 2.040 178.517 176.600 -0.206 0.000 1.050 1046 K CA 1.977 58.068 56.287 -0.326 0.000 0.929 1046 K CB -0.302 32.063 32.500 -0.225 0.000 0.714 1046 K HN 0.309 nan 8.250 nan 0.000 0.443 1047 K N 0.593 120.919 120.400 -0.123 0.000 2.044 1047 K HA -0.206 4.114 4.320 0.001 0.000 0.210 1047 K C 1.881 178.373 176.600 -0.179 0.000 1.049 1047 K CA 1.909 58.127 56.287 -0.114 0.000 0.927 1047 K CB 0.004 32.461 32.500 -0.072 0.000 0.713 1047 K HN 0.297 nan 8.250 nan 0.000 0.443 1048 Q N -0.191 119.459 119.800 -0.250 0.000 2.403 1048 Q HA 0.043 4.383 4.340 0.001 0.000 0.203 1048 Q C 1.424 177.040 176.000 -0.640 0.000 0.932 1048 Q CA -0.117 55.369 55.803 -0.529 0.000 0.945 1048 Q CB 0.440 28.712 28.738 -0.777 0.000 1.045 1048 Q HN 0.325 nan 8.270 nan 0.000 0.511 1049 I N -0.367 120.019 120.570 -0.306 0.000 2.628 1049 I HA -0.027 4.144 4.170 0.001 0.000 0.255 1049 I C 2.036 178.052 176.117 -0.169 0.000 1.119 1049 I CA 0.733 61.916 61.300 -0.194 0.000 1.448 1049 I CB -0.969 36.908 38.000 -0.205 0.000 1.133 1049 I HN 0.046 nan 8.210 nan 0.000 0.438 1050 A N 0.284 123.005 122.820 -0.166 0.000 2.167 1050 A HA -0.133 4.188 4.320 0.001 0.000 0.214 1050 A C 1.829 179.356 177.584 -0.094 0.000 1.151 1050 A CA 1.120 53.090 52.037 -0.113 0.000 0.735 1050 A CB -0.412 18.529 19.000 -0.098 0.000 0.802 1050 A HN 0.277 nan 8.150 nan 0.000 0.467 1051 D N -0.165 120.156 120.400 -0.131 0.000 2.084 1051 D HA -0.091 4.549 4.640 0.001 0.000 0.196 1051 D C 2.079 178.341 176.300 -0.064 0.000 0.985 1051 D CA 1.469 55.406 54.000 -0.105 0.000 0.826 1051 D CB -0.184 40.519 40.800 -0.161 0.000 0.978 1051 D HN 0.189 nan 8.370 nan 0.000 0.456 1052 V N 0.818 120.678 119.914 -0.089 0.000 2.358 1052 V HA -0.176 3.945 4.120 0.001 0.000 0.246 1052 V C 2.375 178.458 176.094 -0.017 0.000 1.047 1052 V CA 1.588 63.875 62.300 -0.022 0.000 1.035 1052 V CB -0.445 31.395 31.823 0.028 0.000 0.658 1052 V HN 0.219 nan 8.190 nan 0.000 0.452 1053 E N 0.084 120.260 120.200 -0.039 0.000 2.110 1053 E HA -0.239 4.112 4.350 0.001 0.000 0.193 1053 E C 2.480 179.076 176.600 -0.007 0.000 0.988 1053 E CA 0.929 57.309 56.400 -0.035 0.000 0.804 1053 E CB -0.037 29.632 29.700 -0.050 0.000 0.745 1053 E HN 0.314 nan 8.360 nan 0.000 0.458 1054 R N 0.375 120.876 120.500 0.001 0.000 2.119 1054 R HA -0.087 4.254 4.340 0.001 0.000 0.222 1054 R C 1.086 177.432 176.300 0.076 0.000 1.088 1054 R CA 1.291 57.407 56.100 0.026 0.000 0.984 1054 R CB 0.023 30.330 30.300 0.012 0.000 0.884 1054 R HN 0.209 nan 8.270 nan 0.000 0.447 1055 D N -0.282 120.178 120.400 0.101 0.000 2.194 1055 D HA -0.063 4.578 4.640 0.001 0.000 0.204 1055 D C 1.864 178.327 176.300 0.273 0.000 0.964 1055 D CA 0.504 54.633 54.000 0.214 0.000 0.846 1055 D CB 0.049 40.983 40.800 0.224 0.000 0.962 1055 D HN -0.039 nan 8.370 nan 0.000 0.490 1056 V N 0.968 120.949 119.914 0.111 0.000 2.469 1056 V HA -0.250 3.871 4.120 0.001 0.000 0.251 1056 V C 2.285 178.451 176.094 0.121 0.000 1.064 1056 V CA 1.626 63.942 62.300 0.027 0.000 1.066 1056 V CB -0.362 31.397 31.823 -0.106 0.000 0.667 1056 V HN 0.241 nan 8.190 nan 0.000 0.461 1057 Q N -0.528 119.344 119.800 0.120 0.000 2.096 1057 Q HA -0.037 4.303 4.340 0.001 0.000 0.197 1057 Q C 1.641 177.732 176.000 0.152 0.000 0.964 1057 Q CA 0.905 56.774 55.803 0.109 0.000 0.838 1057 Q CB -0.114 28.663 28.738 0.065 0.000 0.906 1057 Q HN 0.592 nan 8.270 nan 0.000 0.444 1058 N N -0.024 118.791 118.700 0.192 0.000 2.421 1058 N HA 0.029 4.770 4.740 0.001 0.000 0.201 1058 N C -0.919 174.697 175.510 0.177 0.000 1.198 1058 N CA 0.283 53.426 53.050 0.155 0.000 0.838 1058 N CB 0.212 38.765 38.487 0.110 0.000 1.011 1058 N HN 0.024 nan 8.380 nan 0.000 0.463 1059 F N 1.753 121.747 119.950 0.072 0.000 2.410 1059 F HA 0.348 4.876 4.527 0.001 0.000 0.349 1059 F C -1.512 174.319 175.800 0.052 0.000 1.117 1059 F CA -2.179 55.864 58.000 0.072 0.000 1.104 1059 F CB 0.780 39.886 39.000 0.176 0.000 1.122 1059 F HN -0.072 nan 8.300 nan 0.000 0.483 1060 P HA 0.240 nan 4.420 nan 0.000 0.270 1060 P C -0.955 176.409 177.300 0.106 0.000 1.223 1060 P CA -0.487 62.628 63.100 0.025 0.000 0.785 1060 P CB 0.466 32.127 31.700 -0.065 0.000 0.923 1061 A N 1.735 124.602 122.820 0.077 0.000 2.520 1061 A HA 0.367 4.687 4.320 0.001 0.000 0.235 1061 A C 0.713 178.350 177.584 0.089 0.000 1.065 1061 A CA 0.200 52.288 52.037 0.086 0.000 0.764 1061 A CB -0.499 18.533 19.000 0.053 0.000 1.002 1061 A HN 0.592 nan 8.150 nan 0.000 0.502 1062 A N 2.691 125.571 122.820 0.100 0.000 2.981 1062 A HA 0.418 4.738 4.320 0.001 0.000 0.280 1062 A C 1.139 178.758 177.584 0.058 0.000 1.743 1062 A CA 0.356 52.450 52.037 0.095 0.000 1.430 1062 A CB -1.326 17.737 19.000 0.105 0.000 1.085 1062 A HN 1.307 nan 8.150 nan 0.000 0.597 1063 T N -1.076 113.504 114.554 0.043 0.000 3.609 1063 T HA 0.328 4.679 4.350 0.001 0.000 0.245 1063 T C -0.207 174.505 174.700 0.021 0.000 0.980 1063 T CA 0.158 62.274 62.100 0.026 0.000 0.940 1063 T CB -1.272 67.605 68.868 0.014 0.000 1.105 1063 T HN 0.756 nan 8.240 nan 0.000 0.627 1064 D N -1.986 118.431 120.400 0.028 0.000 2.609 1064 D HA 0.259 4.900 4.640 0.001 0.000 0.239 1064 D C 0.488 176.805 176.300 0.029 0.000 1.229 1064 D CA -0.964 53.050 54.000 0.023 0.000 0.808 1064 D CB 0.927 41.739 40.800 0.019 0.000 1.448 1064 D HN -0.178 nan 8.370 nan 0.000 0.433 1065 E N 0.180 120.394 120.200 0.023 0.000 2.418 1065 E HA -0.064 4.287 4.350 0.001 0.000 0.197 1065 E C 0.677 177.294 176.600 0.029 0.000 1.026 1065 E CA 0.716 57.130 56.400 0.024 0.000 0.862 1065 E CB -0.009 29.701 29.700 0.018 0.000 0.799 1065 E HN 0.516 nan 8.360 nan 0.000 0.518 1066 K N 0.549 120.969 120.400 0.033 0.000 2.355 1066 K HA 0.037 4.358 4.320 0.001 0.000 0.198 1066 K C 0.512 177.144 176.600 0.053 0.000 1.039 1066 K CA -0.132 56.178 56.287 0.038 0.000 1.075 1066 K CB 0.616 33.136 32.500 0.034 0.000 0.870 1066 K HN -0.049 nan 8.250 nan 0.000 0.540 1067 D N 2.259 122.698 120.400 0.064 0.000 2.383 1067 D HA -0.003 4.638 4.640 0.001 0.000 0.245 1067 D C 0.060 176.419 176.300 0.098 0.000 1.263 1067 D CA 0.294 54.351 54.000 0.096 0.000 0.936 1067 D CB 0.637 41.505 40.800 0.114 0.000 1.053 1067 D HN -0.097 nan 8.370 nan 0.000 0.507 1068 K N 3.605 124.061 120.400 0.093 0.000 2.410 1068 K HA -0.002 4.319 4.320 0.001 0.000 0.200 1068 K C 1.157 177.792 176.600 0.059 0.000 1.023 1068 K CA -0.450 55.874 56.287 0.062 0.000 1.149 1068 K CB 0.116 32.638 32.500 0.037 0.000 0.859 1068 K HN 0.434 nan 8.250 nan 0.000 0.514 1069 F N 1.824 121.743 119.950 -0.052 0.000 2.031 1069 F HA -0.247 4.280 4.527 0.001 0.000 0.295 1069 F C 1.823 177.536 175.800 -0.145 0.000 1.133 1069 F CA 1.508 59.431 58.000 -0.127 0.000 1.188 1069 F CB -0.319 38.558 39.000 -0.205 0.000 0.974 1069 F HN -0.226 nan 8.300 nan 0.000 0.473 1070 V N 0.743 120.587 119.914 -0.116 0.000 2.594 1070 V HA -0.251 3.869 4.120 0.001 0.000 0.253 1070 V C 2.342 178.331 176.094 -0.175 0.000 1.069 1070 V CA 2.071 64.249 62.300 -0.204 0.000 1.082 1070 V CB -0.999 30.849 31.823 0.042 0.000 0.680 1070 V HN 0.521 nan 8.190 nan 0.000 0.469 1071 E N 0.870 121.008 120.200 -0.102 0.000 2.028 1071 E HA -0.199 4.152 4.350 0.001 0.000 0.190 1071 E C 2.199 178.739 176.600 -0.100 0.000 0.984 1071 E CA 1.139 57.496 56.400 -0.072 0.000 0.800 1071 E CB -0.028 29.656 29.700 -0.027 0.000 0.758 1071 E HN 0.532 nan 8.360 nan 0.000 0.448 1072 K N -0.507 119.820 120.400 -0.122 0.000 2.296 1072 K HA 0.003 4.323 4.320 0.001 0.000 0.200 1072 K C 1.937 178.455 176.600 -0.137 0.000 1.048 1072 K CA 0.485 56.709 56.287 -0.104 0.000 0.966 1072 K CB 0.137 32.588 32.500 -0.081 0.000 0.754 1072 K HN 0.217 nan 8.250 nan 0.000 0.466 1073 M N -0.070 119.362 119.600 -0.279 0.000 2.447 1073 M HA -0.017 4.464 4.480 0.001 0.000 0.264 1073 M C 1.736 177.957 176.300 -0.131 0.000 1.095 1073 M CA 1.293 56.424 55.300 -0.281 0.000 1.125 1073 M CB -0.671 31.523 32.600 -0.677 0.000 1.389 1073 M HN -0.048 nan 8.290 nan 0.000 0.459 1074 T N -0.434 114.033 114.554 -0.144 0.000 2.951 1074 T HA -0.054 4.297 4.350 0.001 0.000 0.268 1074 T C 1.986 176.656 174.700 -0.050 0.000 1.073 1074 T CA 1.540 63.587 62.100 -0.088 0.000 1.134 1074 T CB -0.104 68.715 68.868 -0.082 0.000 0.884 1074 T HN 0.377 nan 8.240 nan 0.000 0.479 1075 S N 0.283 115.964 115.700 -0.031 0.000 2.453 1075 S HA 0.012 4.483 4.470 0.001 0.000 0.231 1075 S C 1.551 176.168 174.600 0.028 0.000 1.005 1075 S CA 0.268 58.465 58.200 -0.005 0.000 0.949 1075 S CB -0.410 62.791 63.200 0.002 0.000 0.774 1075 S HN 0.473 nan 8.310 nan 0.000 0.510 1076 F N 1.376 121.252 119.950 -0.124 0.000 2.188 1076 F HA 0.186 4.714 4.527 0.001 0.000 0.289 1076 F C 2.073 177.772 175.800 -0.169 0.000 1.082 1076 F CA 0.974 58.887 58.000 -0.145 0.000 1.282 1076 F CB -0.672 38.235 39.000 -0.155 0.000 1.060 1076 F HN 0.021 nan 8.300 nan 0.000 0.493 1077 V N 1.203 120.988 119.914 -0.214 0.000 2.343 1077 V HA -0.305 3.816 4.120 0.001 0.000 0.247 1077 V C 2.423 178.369 176.094 -0.247 0.000 1.051 1077 V CA 2.091 64.218 62.300 -0.289 0.000 1.036 1077 V CB -0.684 31.069 31.823 -0.118 0.000 0.654 1077 V HN 0.274 nan 8.190 nan 0.000 0.451 1078 K N -0.436 119.869 120.400 -0.158 0.000 2.044 1078 K HA -0.263 4.058 4.320 0.001 0.000 0.210 1078 K C 2.101 178.620 176.600 -0.134 0.000 1.049 1078 K CA 1.939 58.159 56.287 -0.111 0.000 0.927 1078 K CB -0.375 32.083 32.500 -0.070 0.000 0.713 1078 K HN 0.467 nan 8.250 nan 0.000 0.443 1079 D N -0.005 120.284 120.400 -0.185 0.000 2.178 1079 D HA -0.091 4.550 4.640 0.001 0.000 0.202 1079 D C 1.677 177.830 176.300 -0.244 0.000 0.974 1079 D CA 1.016 54.913 54.000 -0.171 0.000 0.841 1079 D CB 0.234 40.950 40.800 -0.140 0.000 0.953 1079 D HN 0.193 nan 8.370 nan 0.000 0.478 1080 A N 0.401 122.902 122.820 -0.531 0.000 1.898 1080 A HA -0.146 4.174 4.320 0.001 0.000 0.214 1080 A C 2.171 179.667 177.584 -0.147 0.000 1.183 1080 A CA 1.321 52.973 52.037 -0.641 0.000 0.622 1080 A CB -0.580 17.621 19.000 -1.332 0.000 0.824 1080 A HN 0.178 nan 8.150 nan 0.000 0.444 1081 Q N -0.046 119.678 119.800 -0.126 0.000 2.170 1081 Q HA -0.186 4.155 4.340 0.001 0.000 0.203 1081 Q C 1.903 177.962 176.000 0.100 0.000 0.976 1081 Q CA 1.957 57.784 55.803 0.041 0.000 0.858 1081 Q CB -0.230 28.505 28.738 -0.006 0.000 0.907 1081 Q HN 0.780 nan 8.270 nan 0.000 0.433 1082 E N -0.719 119.500 120.200 0.031 0.000 2.106 1082 E HA -0.204 4.147 4.350 0.001 0.000 0.192 1082 E C 1.684 178.323 176.600 0.065 0.000 0.984 1082 E CA 1.038 57.459 56.400 0.036 0.000 0.806 1082 E CB 0.126 29.831 29.700 0.008 0.000 0.750 1082 E HN 0.501 nan 8.360 nan 0.000 0.458 1083 Q N -1.000 118.871 119.800 0.119 0.000 2.302 1083 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 1083 Q C 1.806 177.916 176.000 0.183 0.000 0.936 1083 Q CA 0.599 56.495 55.803 0.156 0.000 0.886 1083 Q CB 0.001 28.889 28.738 0.251 0.000 0.986 1083 Q HN 0.385 nan 8.270 nan 0.000 0.487 1084 Y N 2.225 122.606 120.300 0.135 0.000 2.163 1084 Y HA -0.151 4.399 4.550 0.001 0.000 0.288 1084 Y C 1.731 177.667 175.900 0.060 0.000 1.136 1084 Y CA 1.469 59.636 58.100 0.112 0.000 1.147 1084 Y CB -0.157 38.373 38.460 0.116 0.000 0.987 1084 Y HN 0.043 nan 8.280 nan 0.000 0.509 1085 N N 0.725 119.329 118.700 -0.159 0.000 2.188 1085 N HA -0.143 4.598 4.740 0.001 0.000 0.184 1085 N C 1.630 177.038 175.510 -0.169 0.000 1.018 1085 N CA 1.443 54.343 53.050 -0.250 0.000 0.858 1085 N CB -0.291 38.168 38.487 -0.047 0.000 0.989 1085 N HN 0.440 nan 8.380 nan 0.000 0.426 1086 K N 0.078 120.428 120.400 -0.082 0.000 2.209 1086 K HA -0.030 4.291 4.320 0.001 0.000 0.204 1086 K C 1.334 177.894 176.600 -0.067 0.000 1.048 1086 K CA 0.637 56.892 56.287 -0.054 0.000 0.940 1086 K CB 0.102 32.591 32.500 -0.019 0.000 0.729 1086 K HN 0.014 nan 8.250 nan 0.000 0.451 1087 L N -0.041 121.123 121.223 -0.100 0.000 2.298 1087 L HA 0.070 4.411 4.340 0.001 0.000 0.209 1087 L C 2.132 178.933 176.870 -0.115 0.000 1.084 1087 L CA 1.097 55.885 54.840 -0.086 0.000 0.816 1087 L CB -0.274 41.745 42.059 -0.067 0.000 0.967 1087 L HN 0.002 nan 8.230 nan 0.000 0.460 1088 R N -0.860 119.478 120.500 -0.270 0.000 2.092 1088 R HA -0.114 4.227 4.340 0.001 0.000 0.231 1088 R C 2.204 178.446 176.300 -0.096 0.000 1.119 1088 R CA 1.113 57.054 56.100 -0.266 0.000 0.970 1088 R CB -0.021 29.936 30.300 -0.572 0.000 0.864 1088 R HN 0.227 nan 8.270 nan 0.000 0.440 1089 M N 0.053 119.595 119.600 -0.097 0.000 2.065 1089 M HA -0.236 4.245 4.480 0.001 0.000 0.259 1089 M C 2.306 178.594 176.300 -0.020 0.000 1.071 1089 M CA 1.870 57.142 55.300 -0.048 0.000 1.109 1089 M CB -0.469 32.103 32.600 -0.046 0.000 1.313 1089 M HN 0.266 nan 8.290 nan 0.000 0.408 1090 M N -1.817 117.775 119.600 -0.014 0.000 2.213 1090 M HA -0.227 4.253 4.480 0.001 0.000 0.263 1090 M C 2.081 178.399 176.300 0.030 0.000 1.062 1090 M CA 1.517 56.818 55.300 0.002 0.000 1.105 1090 M CB -0.773 31.827 32.600 -0.001 0.000 1.385 1090 M HN 0.325 nan 8.290 nan 0.000 0.417 1091 H N 0.479 119.524 119.070 -0.041 0.000 2.276 1091 H HA -0.095 4.462 4.556 0.001 0.000 0.301 1091 H C 2.201 177.525 175.328 -0.006 0.000 1.073 1091 H CA 2.407 58.442 56.048 -0.023 0.000 1.311 1091 H CB -0.088 29.657 29.762 -0.028 0.000 1.379 1091 H HN 0.330 nan 8.280 nan 0.000 0.494 1092 S N -0.233 115.422 115.700 -0.075 0.000 2.481 1092 S HA -0.159 4.312 4.470 0.001 0.000 0.231 1092 S C 1.992 176.541 174.600 -0.084 0.000 0.996 1092 S CA 0.947 59.080 58.200 -0.112 0.000 0.942 1092 S CB -0.389 62.806 63.200 -0.007 0.000 0.768 1092 S HN 0.652 nan 8.310 nan 0.000 0.520 1093 N N 1.298 119.964 118.700 -0.056 0.000 2.250 1093 N HA -0.059 4.682 4.740 0.001 0.000 0.181 1093 N C 1.869 177.359 175.510 -0.033 0.000 1.017 1093 N CA 1.124 54.153 53.050 -0.035 0.000 0.866 1093 N CB -0.292 38.181 38.487 -0.022 0.000 0.985 1093 N HN 0.509 nan 8.380 nan 0.000 0.429 1094 M N 1.086 120.653 119.600 -0.055 0.000 2.080 1094 M HA -0.150 4.331 4.480 0.001 0.000 0.260 1094 M C 1.528 177.822 176.300 -0.010 0.000 1.068 1094 M CA 1.687 56.967 55.300 -0.033 0.000 1.109 1094 M CB -0.094 32.471 32.600 -0.057 0.000 1.342 1094 M HN 0.134 nan 8.290 nan 0.000 0.405 1095 E N -0.821 119.319 120.200 -0.100 0.000 2.150 1095 E HA -0.139 4.212 4.350 0.001 0.000 0.193 1095 E C 1.774 178.393 176.600 0.030 0.000 0.985 1095 E CA 1.624 58.010 56.400 -0.023 0.000 0.814 1095 E CB -0.085 29.540 29.700 -0.125 0.000 0.752 1095 E HN 0.553 nan 8.360 nan 0.000 0.466 1096 T N 1.565 116.112 114.554 -0.011 0.000 2.652 1096 T HA -0.166 4.185 4.350 0.001 0.000 0.267 1096 T C 1.867 176.573 174.700 0.010 0.000 1.039 1096 T CA 1.025 63.119 62.100 -0.010 0.000 1.153 1096 T CB -0.235 68.621 68.868 -0.019 0.000 0.863 1096 T HN 0.097 nan 8.240 nan 0.000 0.428 1097 L N -0.484 120.763 121.223 0.040 0.000 2.275 1097 L HA -0.053 4.287 4.340 0.001 0.000 0.215 1097 L C 2.195 179.142 176.870 0.129 0.000 1.119 1097 L CA 1.049 55.931 54.840 0.071 0.000 0.790 1097 L CB -0.366 41.744 42.059 0.085 0.000 0.919 1097 L HN 0.301 nan 8.230 nan 0.000 0.443 1098 Y N -0.189 120.118 120.300 0.010 0.000 2.448 1098 Y HA -0.056 4.495 4.550 0.002 0.000 0.289 1098 Y C 2.426 178.267 175.900 -0.098 0.000 1.114 1098 Y CA 0.961 59.059 58.100 -0.002 0.000 1.235 1098 Y CB 0.175 38.647 38.460 0.021 0.000 1.045 1098 Y HN -0.097 nan 8.280 nan 0.000 0.554 1099 K N 0.571 120.895 120.400 -0.127 0.000 2.228 1099 K HA -0.124 4.197 4.320 0.001 0.000 0.202 1099 K C 1.656 178.127 176.600 -0.216 0.000 1.051 1099 K CA 0.997 57.147 56.287 -0.229 0.000 0.960 1099 K CB 0.196 32.629 32.500 -0.112 0.000 0.743 1099 K HN 0.349 nan 8.250 nan 0.000 0.458 1100 E N 0.817 120.946 120.200 -0.119 0.000 2.031 1100 E HA -0.089 4.261 4.350 0.001 0.000 0.193 1100 E C 1.984 178.566 176.600 -0.030 0.000 0.994 1100 E CA 1.112 57.471 56.400 -0.068 0.000 0.800 1100 E CB -0.086 29.597 29.700 -0.029 0.000 0.752 1100 E HN 0.182 nan 8.360 nan 0.000 0.447 1101 L N -0.492 120.731 121.223 -0.001 0.000 2.131 1101 L HA -0.083 4.258 4.340 0.001 0.000 0.210 1101 L C 2.405 179.271 176.870 -0.006 0.000 1.092 1101 L CA 1.017 55.974 54.840 0.194 0.000 0.759 1101 L CB -0.659 41.528 42.059 0.214 0.000 0.903 1101 L HN 0.296 nan 8.230 nan 0.000 0.435 1102 G N -0.213 108.247 108.800 -0.567 0.000 2.440 1102 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 1102 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 1102 G C 1.151 175.722 174.900 -0.548 0.000 1.154 1102 G CA 0.959 45.380 45.100 -1.132 0.000 0.767 1102 G HN 0.295 nan 8.290 nan 0.000 0.552 1103 D N -1.077 119.159 120.400 -0.273 0.000 2.162 1103 D HA -0.032 4.609 4.640 0.001 0.000 0.203 1103 D C 1.922 178.194 176.300 -0.047 0.000 0.967 1103 D CA 0.374 54.290 54.000 -0.140 0.000 0.840 1103 D CB -0.271 40.468 40.800 -0.102 0.000 0.972 1103 D HN 0.328 nan 8.370 nan 0.000 0.482 1104 Y N -0.166 120.052 120.300 -0.137 0.000 2.242 1104 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 1104 Y C 1.311 177.027 175.900 -0.308 0.000 1.137 1104 Y CA 1.260 59.234 58.100 -0.210 0.000 1.181 1104 Y CB -0.201 38.130 38.460 -0.215 0.000 0.989 1104 Y HN -0.134 nan 8.280 nan 0.000 0.527 1105 F N -1.357 118.595 119.950 0.003 0.000 2.678 1105 F HA 0.257 4.785 4.527 0.002 0.000 0.305 1105 F C 0.755 176.604 175.800 0.081 0.000 1.090 1105 F CA 0.156 58.159 58.000 0.004 0.000 1.272 1105 F CB 0.513 39.634 39.000 0.202 0.000 1.060 1105 F HN -0.313 nan 8.300 nan 0.000 0.576 1106 V N 2.536 122.531 119.914 0.134 0.000 5.574 1106 V HA -0.300 3.820 4.120 0.001 0.000 0.296 1106 V C -1.021 175.197 176.094 0.207 0.000 0.678 1106 V CA 0.754 63.092 62.300 0.064 0.000 1.093 1106 V CB -1.457 30.366 31.823 -0.001 0.000 1.279 1106 V HN 0.367 nan 8.190 nan 0.000 0.446 1107 F N 2.552 122.470 119.950 -0.053 0.000 2.693 1107 F HA 0.697 5.225 4.527 0.002 0.000 0.309 1107 F C -0.566 175.180 175.800 -0.090 0.000 1.129 1107 F CA -1.301 56.666 58.000 -0.054 0.000 0.948 1107 F CB 1.258 40.233 39.000 -0.042 0.000 1.315 1107 F HN 0.152 nan 8.300 nan 0.000 0.447 1108 D N 3.345 123.760 120.400 0.026 0.000 2.359 1108 D HA 0.302 4.943 4.640 0.001 0.000 0.250 1108 D C -1.820 174.447 176.300 -0.055 0.000 1.264 1108 D CA -2.023 51.939 54.000 -0.063 0.000 0.911 1108 D CB 1.480 42.295 40.800 0.025 0.000 1.056 1108 D HN 0.299 nan 8.370 nan 0.000 0.499 1109 P HA 0.003 nan 4.420 nan 0.000 0.233 1109 P C 0.637 178.010 177.300 0.120 0.000 1.167 1109 P CA 0.601 63.600 63.100 -0.168 0.000 0.770 1109 P CB 0.494 31.909 31.700 -0.475 0.000 0.837 1110 K N -0.965 119.467 120.400 0.053 0.000 2.361 1110 K HA 0.078 4.399 4.320 0.001 0.000 0.194 1110 K C 1.491 178.145 176.600 0.089 0.000 1.032 1110 K CA 0.521 56.855 56.287 0.079 0.000 1.048 1110 K CB 0.134 32.658 32.500 0.040 0.000 0.842 1110 K HN -0.207 nan 8.250 nan 0.000 0.526 1111 K N 0.587 121.046 120.400 0.098 0.000 2.440 1111 K HA 0.273 4.594 4.320 0.001 0.000 0.206 1111 K C -1.206 175.483 176.600 0.148 0.000 1.025 1111 K CA -0.148 56.202 56.287 0.106 0.000 1.135 1111 K CB 0.307 32.859 32.500 0.087 0.000 0.856 1111 K HN -0.047 nan 8.250 nan 0.000 0.502 1112 L N 0.742 122.083 121.223 0.197 0.000 2.676 1112 L HA 0.330 4.671 4.340 0.001 0.000 0.262 1112 L C -0.933 176.106 176.870 0.281 0.000 0.965 1112 L CA -0.231 54.759 54.840 0.249 0.000 0.920 1112 L CB 1.163 43.422 42.059 0.333 0.000 1.260 1112 L HN 0.158 nan 8.230 nan 0.000 0.422 1113 S N 2.537 118.346 115.700 0.181 0.000 2.572 1113 S HA 0.263 4.734 4.470 0.001 0.000 0.279 1113 S C 1.487 176.129 174.600 0.070 0.000 1.341 1113 S CA -0.250 58.013 58.200 0.105 0.000 1.043 1113 S CB 1.254 64.500 63.200 0.077 0.000 0.887 1113 S HN 0.463 nan 8.310 nan 0.000 0.516 1114 V N 2.766 122.586 119.914 -0.157 0.000 2.317 1114 V HA -0.286 3.835 4.120 0.001 0.000 0.251 1114 V C 2.534 178.733 176.094 0.176 0.000 1.065 1114 V CA 2.552 64.722 62.300 -0.217 0.000 1.049 1114 V CB -1.516 30.138 31.823 -0.283 0.000 0.651 1114 V HN 0.964 nan 8.190 nan 0.000 0.450 1115 E N -0.143 120.131 120.200 0.124 0.000 2.023 1115 E HA -0.235 4.116 4.350 0.001 0.000 0.196 1115 E C 2.280 178.972 176.600 0.154 0.000 1.003 1115 E CA 1.344 57.828 56.400 0.139 0.000 0.809 1115 E CB -0.372 29.374 29.700 0.077 0.000 0.755 1115 E HN 0.519 nan 8.360 nan 0.000 0.449 1116 E N 0.304 120.585 120.200 0.136 0.000 2.086 1116 E HA -0.219 4.131 4.350 0.001 0.000 0.200 1116 E C 1.924 178.607 176.600 0.139 0.000 1.012 1116 E CA 1.128 57.604 56.400 0.127 0.000 0.812 1116 E CB -0.301 29.479 29.700 0.133 0.000 0.743 1116 E HN 0.257 nan 8.360 nan 0.000 0.453 1117 F N 0.131 120.096 119.950 0.025 0.000 2.084 1117 F HA -0.149 4.380 4.527 0.002 0.000 0.296 1117 F C 2.145 177.868 175.800 -0.127 0.000 1.111 1117 F CA 1.335 59.280 58.000 -0.092 0.000 1.224 1117 F CB -0.590 38.360 39.000 -0.085 0.000 0.991 1117 F HN -0.083 nan 8.300 nan 0.000 0.471 1118 F N -0.692 119.259 119.950 0.002 0.000 2.407 1118 F HA -0.149 4.379 4.527 0.001 0.000 0.299 1118 F C 2.267 178.022 175.800 -0.076 0.000 1.097 1118 F CA 0.814 58.748 58.000 -0.110 0.000 1.422 1118 F CB -0.317 38.719 39.000 0.059 0.000 1.067 1118 F HN 0.103 nan 8.300 nan 0.000 0.539 1119 M N 0.339 120.009 119.600 0.117 0.000 2.156 1119 M HA -0.151 4.329 4.480 0.001 0.000 0.264 1119 M C 1.545 177.887 176.300 0.070 0.000 1.067 1119 M CA 1.733 57.084 55.300 0.085 0.000 1.131 1119 M CB -0.488 32.142 32.600 0.049 0.000 1.368 1119 M HN -0.169 nan 8.290 nan 0.000 0.416 1120 D N -0.096 120.287 120.400 -0.027 0.000 2.123 1120 D HA -0.165 4.476 4.640 0.001 0.000 0.196 1120 D C 2.049 178.311 176.300 -0.063 0.000 0.992 1120 D CA 1.015 54.977 54.000 -0.062 0.000 0.833 1120 D CB -0.302 40.412 40.800 -0.143 0.000 0.954 1120 D HN 0.286 nan 8.370 nan 0.000 0.455 1121 L N 0.231 121.331 121.223 -0.204 0.000 2.017 1121 L HA -0.208 4.133 4.340 0.001 0.000 0.208 1121 L C 2.244 179.167 176.870 0.088 0.000 1.073 1121 L CA 1.824 56.575 54.840 -0.149 0.000 0.745 1121 L CB -0.770 41.076 42.059 -0.354 0.000 0.894 1121 L HN 0.218 nan 8.230 nan 0.000 0.432 1122 H N 0.045 119.130 119.070 0.025 0.000 2.353 1122 H HA -0.142 4.415 4.556 0.000 0.000 0.300 1122 H C 2.017 177.375 175.328 0.049 0.000 1.090 1122 H CA 2.077 58.149 56.048 0.040 0.000 1.327 1122 H CB 0.210 29.991 29.762 0.031 0.000 1.383 1122 H HN 0.312 nan 8.280 nan 0.000 0.508 1123 N N -0.035 118.769 118.700 0.174 0.000 2.120 1123 N HA -0.168 4.572 4.740 0.001 0.000 0.188 1123 N C 1.768 177.335 175.510 0.095 0.000 1.024 1123 N CA 1.186 54.307 53.050 0.118 0.000 0.852 1123 N CB -0.606 37.961 38.487 0.133 0.000 1.003 1123 N HN 0.360 nan 8.380 nan 0.000 0.424 1124 F N 2.701 122.657 119.950 0.011 0.000 2.134 1124 F HA -0.079 4.448 4.527 0.001 0.000 0.299 1124 F C 2.506 178.379 175.800 0.122 0.000 1.097 1124 F CA 1.220 59.260 58.000 0.067 0.000 1.264 1124 F CB -0.263 38.783 39.000 0.077 0.000 1.001 1124 F HN -0.098 nan 8.300 nan 0.000 0.479 1125 R N 0.541 121.015 120.500 -0.043 0.000 2.115 1125 R HA -0.252 4.089 4.340 0.001 0.000 0.239 1125 R C 1.767 177.945 176.300 -0.203 0.000 1.133 1125 R CA 2.349 58.347 56.100 -0.170 0.000 0.935 1125 R CB -0.797 29.388 30.300 -0.191 0.000 0.853 1125 R HN 0.318 nan 8.270 nan 0.000 0.433 1126 N N -0.000 118.570 118.700 -0.216 0.000 2.396 1126 N HA -0.070 4.671 4.740 0.001 0.000 0.180 1126 N C 1.631 177.081 175.510 -0.100 0.000 1.028 1126 N CA 0.972 53.922 53.050 -0.167 0.000 0.893 1126 N CB -0.105 38.270 38.487 -0.187 0.000 0.967 1126 N HN 0.274 nan 8.380 nan 0.000 0.440 1127 M N -0.941 118.604 119.600 -0.091 0.000 2.132 1127 M HA -0.068 4.412 4.480 0.001 0.000 0.263 1127 M C 1.558 177.797 176.300 -0.103 0.000 1.065 1127 M CA 1.285 56.542 55.300 -0.072 0.000 1.122 1127 M CB -0.089 32.501 32.600 -0.018 0.000 1.365 1127 M HN 0.092 nan 8.290 nan 0.000 0.411 1128 F N 0.815 120.567 119.950 -0.330 0.000 2.084 1128 F HA -0.199 4.328 4.527 0.001 0.000 0.296 1128 F C 1.838 177.545 175.800 -0.154 0.000 1.111 1128 F CA 1.622 59.458 58.000 -0.274 0.000 1.224 1128 F CB -0.254 38.539 39.000 -0.345 0.000 0.991 1128 F HN -0.019 nan 8.300 nan 0.000 0.471 1129 L N -0.220 121.000 121.223 -0.005 0.000 2.127 1129 L HA -0.246 4.094 4.340 0.001 0.000 0.211 1129 L C 2.383 179.197 176.870 -0.093 0.000 1.089 1129 L CA 1.520 56.324 54.840 -0.059 0.000 0.757 1129 L CB -0.728 41.287 42.059 -0.073 0.000 0.899 1129 L HN 0.235 nan 8.230 nan 0.000 0.434 1130 Q N -0.071 119.678 119.800 -0.086 0.000 2.172 1130 Q HA -0.084 4.257 4.340 0.001 0.000 0.200 1130 Q C 2.196 178.172 176.000 -0.041 0.000 0.964 1130 Q CA 1.551 57.321 55.803 -0.054 0.000 0.855 1130 Q CB -0.060 28.656 28.738 -0.037 0.000 0.918 1130 Q HN 0.437 nan 8.270 nan 0.000 0.444 1131 A N -0.793 121.960 122.820 -0.111 0.000 1.929 1131 A HA -0.063 4.258 4.320 0.001 0.000 0.216 1131 A C 2.162 179.700 177.584 -0.077 0.000 1.176 1131 A CA 1.317 53.325 52.037 -0.049 0.000 0.628 1131 A CB -0.555 18.278 19.000 -0.279 0.000 0.816 1131 A HN 0.257 nan 8.150 nan 0.000 0.444 1132 V N 0.191 119.964 119.914 -0.235 0.000 2.358 1132 V HA -0.245 3.875 4.120 0.001 0.000 0.246 1132 V C 2.439 178.478 176.094 -0.091 0.000 1.047 1132 V CA 2.285 64.474 62.300 -0.186 0.000 1.035 1132 V CB -0.592 31.120 31.823 -0.183 0.000 0.658 1132 V HN 0.526 nan 8.190 nan 0.000 0.452 1133 K N -0.191 120.167 120.400 -0.071 0.000 2.057 1133 K HA -0.157 4.164 4.320 0.001 0.000 0.206 1133 K C 2.148 178.721 176.600 -0.045 0.000 1.050 1133 K CA 1.453 57.711 56.287 -0.048 0.000 0.935 1133 K CB -0.175 32.301 32.500 -0.040 0.000 0.715 1133 K HN 0.491 nan 8.250 nan 0.000 0.439 1134 E N 0.589 120.768 120.200 -0.035 0.000 2.265 1134 E HA -0.146 4.205 4.350 0.001 0.000 0.196 1134 E C 1.660 178.188 176.600 -0.120 0.000 0.996 1134 E CA 0.645 57.007 56.400 -0.064 0.000 0.832 1134 E CB 0.091 29.771 29.700 -0.032 0.000 0.756 1134 E HN 0.224 nan 8.360 nan 0.000 0.491 1135 N N 0.791 119.434 118.700 -0.095 0.000 2.092 1135 N HA -0.129 4.612 4.740 0.001 0.000 0.189 1135 N C 1.698 177.166 175.510 -0.070 0.000 1.040 1135 N CA 0.984 53.977 53.050 -0.095 0.000 0.845 1135 N CB -0.240 38.206 38.487 -0.069 0.000 1.017 1135 N HN 0.193 nan 8.380 nan 0.000 0.426 1136 Q N 0.598 120.364 119.800 -0.056 0.000 2.133 1136 Q HA -0.172 4.169 4.340 0.001 0.000 0.208 1136 Q C 1.955 177.930 176.000 -0.042 0.000 0.991 1136 Q CA 1.302 57.080 55.803 -0.043 0.000 0.867 1136 Q CB -0.062 28.654 28.738 -0.037 0.000 0.911 1136 Q HN 0.272 nan 8.270 nan 0.000 0.417 1137 K N 1.115 121.487 120.400 -0.047 0.000 2.062 1137 K HA -0.149 4.172 4.320 0.001 0.000 0.205 1137 K C 2.048 178.620 176.600 -0.048 0.000 1.051 1137 K CA 1.023 57.284 56.287 -0.043 0.000 0.941 1137 K CB -0.048 32.427 32.500 -0.043 0.000 0.719 1137 K HN 0.076 nan 8.250 nan 0.000 0.440 1138 R N 0.696 121.158 120.500 -0.065 0.000 2.073 1138 R HA -0.105 4.235 4.340 0.001 0.000 0.229 1138 R C 2.401 178.672 176.300 -0.047 0.000 1.120 1138 R CA 1.402 57.463 56.100 -0.065 0.000 0.967 1138 R CB -0.147 30.094 30.300 -0.098 0.000 0.862 1138 R HN 0.062 nan 8.270 nan 0.000 0.436 1139 R N 0.605 121.078 120.500 -0.045 0.000 2.148 1139 R HA -0.072 4.269 4.340 0.001 0.000 0.223 1139 R C 1.727 178.012 176.300 -0.026 0.000 1.088 1139 R CA 1.558 57.638 56.100 -0.032 0.000 0.985 1139 R CB 0.041 30.323 30.300 -0.031 0.000 0.880 1139 R HN 0.342 nan 8.270 nan 0.000 0.451 1140 E N -0.833 119.351 120.200 -0.027 0.000 2.150 1140 E HA -0.114 4.237 4.350 0.001 0.000 0.193 1140 E C 1.484 178.072 176.600 -0.020 0.000 0.985 1140 E CA 1.664 58.051 56.400 -0.022 0.000 0.814 1140 E CB 0.175 29.862 29.700 -0.022 0.000 0.752 1140 E HN 0.412 nan 8.360 nan 0.000 0.466 1141 T N 1.210 115.750 114.554 -0.023 0.000 2.867 1141 T HA -0.105 4.245 4.350 0.001 0.000 0.268 1141 T C 1.510 176.200 174.700 -0.017 0.000 1.057 1141 T CA 0.750 62.838 62.100 -0.020 0.000 1.136 1141 T CB -0.041 68.812 68.868 -0.024 0.000 0.874 1141 T HN 0.124 nan 8.240 nan 0.000 0.466 1142 E N 1.295 121.484 120.200 -0.018 0.000 2.031 1142 E HA -0.144 4.207 4.350 0.001 0.000 0.193 1142 E C 2.285 178.878 176.600 -0.011 0.000 0.994 1142 E CA 1.112 57.503 56.400 -0.014 0.000 0.800 1142 E CB -0.266 29.425 29.700 -0.014 0.000 0.752 1142 E HN 0.467 nan 8.360 nan 0.000 0.447 1143 E N 1.254 121.447 120.200 -0.012 0.000 2.058 1143 E HA -0.154 4.196 4.350 0.001 0.000 0.194 1143 E C 1.851 178.445 176.600 -0.009 0.000 0.997 1143 E CA 1.388 57.782 56.400 -0.010 0.000 0.801 1143 E CB 0.065 29.759 29.700 -0.011 0.000 0.746 1143 E HN 0.076 nan 8.360 nan 0.000 0.450 1144 K N -0.648 119.746 120.400 -0.010 0.000 2.288 1144 K HA 0.007 4.328 4.320 0.001 0.000 0.201 1144 K C 2.038 178.634 176.600 -0.008 0.000 1.048 1144 K CA 0.848 57.129 56.287 -0.009 0.000 0.956 1144 K CB -0.020 32.474 32.500 -0.010 0.000 0.746 1144 K HN 0.252 nan 8.250 nan 0.000 0.461 1145 M N 0.131 119.725 119.600 -0.009 0.000 2.435 1145 M HA -0.027 4.453 4.480 0.001 0.000 0.265 1145 M C 1.768 178.064 176.300 -0.006 0.000 1.104 1145 M CA 0.794 56.090 55.300 -0.007 0.000 1.140 1145 M CB 0.278 32.873 32.600 -0.008 0.000 1.372 1145 M HN -0.020 nan 8.290 nan 0.000 0.456 1146 R N 0.202 120.698 120.500 -0.006 0.000 2.062 1146 R HA -0.040 4.301 4.340 0.001 0.000 0.229 1146 R C 2.014 178.312 176.300 -0.004 0.000 1.128 1146 R CA 1.268 57.365 56.100 -0.005 0.000 0.960 1146 R CB -0.692 29.605 30.300 -0.004 0.000 0.855 1146 R HN 0.406 nan 8.270 nan 0.000 0.432 1147 R N 0.175 120.673 120.500 -0.005 0.000 2.120 1147 R HA -0.059 4.281 4.340 0.001 0.000 0.234 1147 R C 2.187 178.485 176.300 -0.004 0.000 1.123 1147 R CA 1.300 57.397 56.100 -0.004 0.000 0.975 1147 R CB -0.239 30.059 30.300 -0.005 0.000 0.866 1147 R HN 0.193 nan 8.270 nan 0.000 0.446 1148 A N 1.222 124.040 122.820 -0.004 0.000 1.877 1148 A HA -0.178 4.143 4.320 0.001 0.000 0.216 1148 A C 1.884 179.466 177.584 -0.003 0.000 1.186 1148 A CA 1.315 53.350 52.037 -0.004 0.000 0.620 1148 A CB -0.225 18.773 19.000 -0.004 0.000 0.822 1148 A HN 0.169 nan 8.150 nan 0.000 0.443 1149 K N -0.685 119.713 120.400 -0.003 0.000 2.155 1149 K HA 0.056 4.377 4.320 0.001 0.000 0.203 1149 K C 1.870 178.469 176.600 -0.002 0.000 1.052 1149 K CA 0.965 57.251 56.287 -0.002 0.000 0.948 1149 K CB -0.280 32.218 32.500 -0.002 0.000 0.728 1149 K HN 0.459 nan 8.250 nan 0.000 0.448 1150 L N 0.300 121.522 121.223 -0.002 0.000 2.109 1150 L HA -0.120 4.221 4.340 0.001 0.000 0.207 1150 L C 2.459 179.329 176.870 -0.001 0.000 1.086 1150 L CA 0.901 55.740 54.840 -0.001 0.000 0.760 1150 L CB -0.362 41.696 42.059 -0.002 0.000 0.910 1150 L HN 0.141 nan 8.230 nan 0.000 0.437 1151 A N -0.627 122.192 122.820 -0.001 0.000 1.968 1151 A HA -0.188 4.132 4.320 0.001 0.000 0.217 1151 A C 2.374 179.957 177.584 -0.001 0.000 1.169 1151 A CA 1.312 53.348 52.037 -0.001 0.000 0.638 1151 A CB -0.293 18.706 19.000 -0.001 0.000 0.812 1151 A HN 0.220 nan 8.150 nan 0.000 0.446 1152 K N -0.298 120.102 120.400 -0.001 0.000 2.155 1152 K HA -0.084 4.237 4.320 0.001 0.000 0.203 1152 K C 1.646 178.246 176.600 -0.000 0.000 1.052 1152 K CA 1.302 57.589 56.287 -0.001 0.000 0.948 1152 K CB -0.070 32.430 32.500 -0.001 0.000 0.728 1152 K HN 0.616 nan 8.250 nan 0.000 0.448 1153 E N 0.097 120.297 120.200 -0.000 0.000 2.285 1153 E HA -0.148 4.203 4.350 0.001 0.000 0.194 1153 E C 1.757 178.358 176.600 0.000 0.000 0.997 1153 E CA 0.610 57.011 56.400 -0.000 0.000 0.845 1153 E CB 0.237 29.937 29.700 -0.000 0.000 0.782 1153 E HN 0.097 nan 8.360 nan 0.000 0.491 1154 K N 1.331 121.732 120.400 0.000 0.000 2.025 1154 K HA -0.063 4.258 4.320 0.001 0.000 0.207 1154 K C 1.890 178.491 176.600 0.001 0.000 1.049 1154 K CA 1.426 57.714 56.287 0.001 0.000 0.933 1154 K CB -0.200 32.300 32.500 0.001 0.000 0.714 1154 K HN 0.041 nan 8.250 nan 0.000 0.438 1155 A N 0.338 123.159 122.820 0.001 0.000 2.014 1155 A HA -0.095 4.226 4.320 0.001 0.000 0.218 1155 A C 2.035 179.620 177.584 0.002 0.000 1.163 1155 A CA 1.706 53.744 52.037 0.002 0.000 0.652 1155 A CB -0.569 18.432 19.000 0.002 0.000 0.808 1155 A HN 0.517 nan 8.150 nan 0.000 0.449 1156 E N 0.611 120.812 120.200 0.002 0.000 2.107 1156 E HA -0.150 4.201 4.350 0.001 0.000 0.191 1156 E C 1.943 178.544 176.600 0.002 0.000 0.982 1156 E CA 1.681 58.082 56.400 0.001 0.000 0.809 1156 E CB -0.234 29.466 29.700 0.001 0.000 0.756 1156 E HN 0.574 nan 8.360 nan 0.000 0.459 1157 K N 0.353 120.754 120.400 0.002 0.000 2.025 1157 K HA -0.161 4.160 4.320 0.001 0.000 0.207 1157 K C 2.012 178.613 176.600 0.002 0.000 1.049 1157 K CA 1.535 57.823 56.287 0.002 0.000 0.933 1157 K CB -0.106 32.395 32.500 0.001 0.000 0.714 1157 K HN 0.156 nan 8.250 nan 0.000 0.438 1158 E N 0.288 120.489 120.200 0.003 0.000 2.058 1158 E HA -0.218 4.133 4.350 0.001 0.000 0.194 1158 E C 2.265 178.867 176.600 0.005 0.000 0.997 1158 E CA 0.838 57.240 56.400 0.004 0.000 0.801 1158 E CB -0.093 29.610 29.700 0.005 0.000 0.746 1158 E HN 0.180 nan 8.360 nan 0.000 0.450 1159 R N 1.008 121.511 120.500 0.004 0.000 2.083 1159 R HA -0.151 4.190 4.340 0.001 0.000 0.237 1159 R C 2.244 178.546 176.300 0.003 0.000 1.137 1159 R CA 1.026 57.129 56.100 0.005 0.000 0.951 1159 R CB -0.594 29.708 30.300 0.004 0.000 0.851 1159 R HN 0.233 nan 8.270 nan 0.000 0.434 1160 L N 1.357 122.582 121.223 0.002 0.000 2.201 1160 L HA -0.108 4.233 4.340 0.001 0.000 0.212 1160 L C 2.143 179.013 176.870 0.001 0.000 1.105 1160 L CA 1.626 56.467 54.840 0.001 0.000 0.775 1160 L CB -0.726 41.333 42.059 0.001 0.000 0.913 1160 L HN 0.339 nan 8.230 nan 0.000 0.440 1161 E N -0.178 120.023 120.200 0.002 0.000 2.076 1161 E HA -0.247 4.104 4.350 0.001 0.000 0.190 1161 E C 2.119 178.720 176.600 0.002 0.000 0.979 1161 E CA 0.723 57.124 56.400 0.002 0.000 0.807 1161 E CB 0.123 29.824 29.700 0.003 0.000 0.761 1161 E HN 0.322 nan 8.360 nan 0.000 0.454 1162 K N 0.140 120.542 120.400 0.004 0.000 2.147 1162 K HA -0.160 4.161 4.320 0.001 0.000 0.205 1162 K C 2.270 178.871 176.600 0.002 0.000 1.049 1162 K CA 0.998 57.289 56.287 0.006 0.000 0.936 1162 K CB 0.140 32.646 32.500 0.010 0.000 0.722 1162 K HN 0.077 nan 8.250 nan 0.000 0.446 1163 Q N 0.529 120.330 119.800 0.001 0.000 2.119 1163 Q HA -0.166 4.175 4.340 0.001 0.000 0.201 1163 Q C 1.911 177.909 176.000 -0.004 0.000 0.972 1163 Q CA 1.489 57.291 55.803 -0.001 0.000 0.847 1163 Q CB 0.066 28.804 28.738 -0.000 0.000 0.903 1163 Q HN 0.486 nan 8.270 nan 0.000 0.433 1164 Q N -0.125 119.672 119.800 -0.004 0.000 2.245 1164 Q HA -0.069 4.272 4.340 0.001 0.000 0.201 1164 Q C 1.883 177.878 176.000 -0.008 0.000 0.955 1164 Q CA 0.664 56.463 55.803 -0.006 0.000 0.870 1164 Q CB 0.197 28.932 28.738 -0.004 0.000 0.945 1164 Q HN 0.235 nan 8.270 nan 0.000 0.461 1165 K N 0.226 120.621 120.400 -0.008 0.000 2.057 1165 K HA -0.134 4.187 4.320 0.001 0.000 0.206 1165 K C 2.060 178.648 176.600 -0.019 0.000 1.050 1165 K CA 0.964 57.244 56.287 -0.012 0.000 0.935 1165 K CB -0.025 32.471 32.500 -0.008 0.000 0.715 1165 K HN 0.002 nan 8.250 nan 0.000 0.439 1166 R N 1.247 121.736 120.500 -0.019 0.000 2.075 1166 R HA -0.083 4.258 4.340 0.001 0.000 0.232 1166 R C 1.760 178.046 176.300 -0.024 0.000 1.126 1166 R CA 1.238 57.322 56.100 -0.026 0.000 0.963 1166 R CB 0.090 30.377 30.300 -0.021 0.000 0.858 1166 R HN 0.196 nan 8.270 nan 0.000 0.435 1167 E N -0.187 120.003 120.200 -0.017 0.000 2.463 1167 E HA -0.208 4.143 4.350 0.001 0.000 0.201 1167 E C 1.552 178.143 176.600 -0.016 0.000 1.045 1167 E CA 0.797 57.188 56.400 -0.015 0.000 0.872 1167 E CB 0.183 29.877 29.700 -0.010 0.000 0.797 1167 E HN 0.435 nan 8.360 nan 0.000 0.538 1168 Q N -0.567 119.222 119.800 -0.019 0.000 2.373 1168 Q HA 0.059 4.399 4.340 0.001 0.000 0.210 1168 Q C 2.062 178.048 176.000 -0.024 0.000 0.913 1168 Q CA -0.002 55.790 55.803 -0.019 0.000 0.911 1168 Q CB 0.400 29.128 28.738 -0.016 0.000 1.040 1168 Q HN 0.257 nan 8.270 nan 0.000 0.521 1169 L N 0.381 121.585 121.223 -0.031 0.000 1.976 1169 L HA -0.104 4.237 4.340 0.001 0.000 0.209 1169 L C 0.701 177.552 176.870 -0.032 0.000 1.071 1169 L CA 0.935 55.752 54.840 -0.039 0.000 0.746 1169 L CB 0.041 42.066 42.059 -0.056 0.000 0.890 1169 L HN 0.135 nan 8.230 nan 0.000 0.432 1170 I N -0.754 119.799 120.570 -0.029 0.000 2.509 1170 I HA 0.155 4.326 4.170 0.001 0.000 0.293 1170 I C -0.508 175.598 176.117 -0.018 0.000 1.020 1170 I CA -0.555 60.731 61.300 -0.023 0.000 1.088 1170 I CB 1.467 39.452 38.000 -0.024 0.000 1.267 1170 I HN 0.019 nan 8.210 nan 0.000 0.430 1171 D N 6.846 127.237 120.400 -0.015 0.000 2.494 1171 D HA 0.137 4.777 4.640 0.001 0.000 0.217 1171 D C 0.592 176.886 176.300 -0.011 0.000 1.153 1171 D CA -0.297 53.696 54.000 -0.012 0.000 0.954 1171 D CB 0.819 41.613 40.800 -0.010 0.000 1.034 1171 D HN 0.287 nan 8.370 nan 0.000 0.518 1172 M N 2.320 121.913 119.600 -0.011 0.000 2.639 1172 M HA 0.002 4.483 4.480 0.001 0.000 0.220 1172 M C 0.783 177.079 176.300 -0.008 0.000 1.155 1172 M CA 0.144 55.439 55.300 -0.010 0.000 1.003 1172 M CB -0.344 32.250 32.600 -0.010 0.000 1.725 1172 M HN 0.342 nan 8.290 nan 0.000 0.489 1173 N N 0.918 119.613 118.700 -0.007 0.000 2.531 1173 N HA 0.189 4.930 4.740 0.001 0.000 0.223 1173 N C 0.194 175.701 175.510 -0.005 0.000 1.023 1173 N CA 0.499 53.546 53.050 -0.006 0.000 1.124 1173 N CB 0.412 38.896 38.487 -0.006 0.000 1.427 1173 N HN 0.185 nan 8.380 nan 0.000 0.558 1174 A N 1.034 123.851 122.820 -0.005 0.000 3.005 1174 A HA 0.472 4.793 4.320 0.001 0.000 0.308 1174 A C -0.604 176.977 177.584 -0.005 0.000 1.173 1174 A CA -0.456 51.578 52.037 -0.005 0.000 0.796 1174 A CB 0.780 19.778 19.000 -0.004 0.000 1.325 1174 A HN 0.187 nan 8.150 nan 0.000 0.467 1175 E N 0.085 120.282 120.200 -0.005 0.000 2.442 1175 E HA 0.643 4.993 4.350 0.001 0.000 0.261 1175 E C 0.632 177.229 176.600 -0.005 0.000 0.935 1175 E CA -0.828 55.569 56.400 -0.005 0.000 0.856 1175 E CB 1.719 31.415 29.700 -0.006 0.000 1.571 1175 E HN 0.564 nan 8.360 nan 0.000 0.431 1176 G N -0.073 108.724 108.800 -0.005 0.000 2.516 1176 G HA2 0.171 4.131 3.960 0.001 0.000 0.276 1176 G HA3 0.171 4.131 3.960 0.001 0.000 0.276 1176 G C -0.697 174.200 174.900 -0.005 0.000 1.390 1176 G CA -0.121 44.976 45.100 -0.005 0.000 1.050 1176 G HN 0.332 nan 8.290 nan 0.000 0.519 1177 D N 0.541 120.939 120.400 -0.005 0.000 2.438 1177 D HA 0.440 5.080 4.640 0.001 0.000 0.257 1177 D C -0.544 175.753 176.300 -0.005 0.000 1.148 1177 D CA -0.152 53.845 54.000 -0.005 0.000 0.902 1177 D CB 1.475 42.273 40.800 -0.004 0.000 1.062 1177 D HN 0.268 nan 8.370 nan 0.000 0.518 1178 E N -0.225 119.971 120.200 -0.005 0.000 2.299 1178 E HA 0.482 4.833 4.350 0.001 0.000 0.265 1178 E C 0.853 177.450 176.600 -0.006 0.000 0.911 1178 E CA -0.825 55.572 56.400 -0.005 0.000 0.789 1178 E CB 1.065 30.762 29.700 -0.006 0.000 1.246 1178 E HN 0.096 nan 8.360 nan 0.000 0.427 1179 T N -0.970 113.581 114.554 -0.005 0.000 5.220 1179 T HA 0.164 4.515 4.350 0.001 0.000 0.259 1179 T C 1.348 176.044 174.700 -0.007 0.000 0.811 1179 T CA -0.118 61.979 62.100 -0.005 0.000 1.845 1179 T CB -1.002 67.863 68.868 -0.005 0.000 1.646 1179 T HN 0.738 nan 8.240 nan 0.000 0.298 1180 G N 0.757 109.553 108.800 -0.007 0.000 2.113 1180 G HA2 -0.107 3.854 3.960 0.001 0.000 0.259 1180 G HA3 -0.107 3.854 3.960 0.001 0.000 0.259 1180 G C 0.761 175.655 174.900 -0.010 0.000 0.734 1180 G CA 0.644 45.740 45.100 -0.008 0.000 0.919 1180 G HN 0.513 nan 8.290 nan 0.000 0.431 1181 V N 0.425 120.332 119.914 -0.011 0.000 2.599 1181 V HA -0.082 4.039 4.120 0.001 0.000 0.245 1181 V C 2.558 178.643 176.094 -0.016 0.000 1.046 1181 V CA 1.968 64.260 62.300 -0.014 0.000 1.065 1181 V CB -0.166 31.650 31.823 -0.013 0.000 0.703 1181 V HN 0.598 nan 8.190 nan 0.000 0.464 1182 M N 0.524 120.116 119.600 -0.013 0.000 2.229 1182 M HA -0.095 4.386 4.480 0.001 0.000 0.264 1182 M C 1.571 177.862 176.300 -0.014 0.000 1.063 1182 M CA 1.587 56.878 55.300 -0.014 0.000 1.114 1182 M CB -0.702 31.892 32.600 -0.010 0.000 1.387 1182 M HN 0.288 nan 8.290 nan 0.000 0.420 1183 D N -0.929 119.463 120.400 -0.012 0.000 2.144 1183 D HA -0.085 4.555 4.640 0.001 0.000 0.200 1183 D C 1.969 178.260 176.300 -0.015 0.000 0.978 1183 D CA 1.342 55.336 54.000 -0.011 0.000 0.833 1183 D CB -0.253 40.542 40.800 -0.008 0.000 0.961 1183 D HN 0.320 nan 8.370 nan 0.000 0.470 1184 S N 0.483 116.172 115.700 -0.018 0.000 2.382 1184 S HA -0.068 4.402 4.470 0.001 0.000 0.228 1184 S C 2.172 176.753 174.600 -0.033 0.000 1.027 1184 S CA 0.543 58.729 58.200 -0.023 0.000 0.991 1184 S CB -0.110 63.076 63.200 -0.023 0.000 0.823 1184 S HN 0.241 nan 8.310 nan 0.000 0.469 1185 L N 0.776 121.978 121.223 -0.035 0.000 2.072 1185 L HA -0.010 4.331 4.340 0.001 0.000 0.205 1185 L C 2.137 178.978 176.870 -0.049 0.000 1.079 1185 L CA 0.883 55.693 54.840 -0.050 0.000 0.752 1185 L CB -0.473 41.559 42.059 -0.045 0.000 0.906 1185 L HN 0.289 nan 8.230 nan 0.000 0.436 1186 L N -0.751 120.455 121.223 -0.029 0.000 2.093 1186 L HA -0.168 4.173 4.340 0.001 0.000 0.208 1186 L C 2.637 179.498 176.870 -0.014 0.000 1.085 1186 L CA 1.021 55.851 54.840 -0.017 0.000 0.755 1186 L CB -0.588 41.468 42.059 -0.006 0.000 0.904 1186 L HN 0.310 nan 8.230 nan 0.000 0.435 1187 E N 0.785 120.975 120.200 -0.017 0.000 2.153 1187 E HA -0.205 4.146 4.350 0.001 0.000 0.194 1187 E C 2.110 178.700 176.600 -0.018 0.000 0.988 1187 E CA 1.312 57.705 56.400 -0.012 0.000 0.811 1187 E CB 0.161 29.854 29.700 -0.012 0.000 0.746 1187 E HN 0.449 nan 8.360 nan 0.000 0.466 1188 A N 0.264 123.060 122.820 -0.039 0.000 2.067 1188 A HA -0.065 4.256 4.320 0.001 0.000 0.217 1188 A C 1.953 179.488 177.584 -0.083 0.000 1.156 1188 A CA 0.491 52.492 52.037 -0.061 0.000 0.683 1188 A CB -0.079 18.869 19.000 -0.086 0.000 0.808 1188 A HN 0.202 nan 8.150 nan 0.000 0.455 1189 L N -0.997 120.184 121.223 -0.070 0.000 2.168 1189 L HA 0.041 4.382 4.340 0.001 0.000 0.203 1189 L C 2.379 179.294 176.870 0.075 0.000 1.078 1189 L CA 1.663 56.474 54.840 -0.047 0.000 0.780 1189 L CB -0.684 41.353 42.059 -0.037 0.000 0.939 1189 L HN 0.502 nan 8.230 nan 0.000 0.451 1190 Q N -0.918 118.910 119.800 0.046 0.000 2.230 1190 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 1190 Q C 2.023 178.057 176.000 0.057 0.000 0.963 1190 Q CA 1.586 57.422 55.803 0.056 0.000 0.866 1190 Q CB 0.258 29.015 28.738 0.032 0.000 0.931 1190 Q HN 0.624 nan 8.270 nan 0.000 0.452 1191 S N -2.212 113.515 115.700 0.044 0.000 2.478 1191 S HA 0.162 4.633 4.470 0.001 0.000 0.222 1191 S C 1.405 176.045 174.600 0.068 0.000 1.008 1191 S CA 0.739 58.964 58.200 0.042 0.000 0.928 1191 S CB 0.651 63.863 63.200 0.021 0.000 0.781 1191 S HN 0.538 nan 8.310 nan 0.000 0.518 1192 G N 0.803 109.666 108.800 0.105 0.000 2.194 1192 G HA2 -0.229 3.732 3.960 0.001 0.000 0.236 1192 G HA3 -0.229 3.732 3.960 0.001 0.000 0.236 1192 G C 1.104 176.079 174.900 0.125 0.000 0.987 1192 G CA 0.278 45.495 45.100 0.196 0.000 0.635 1192 G HN 1.165 nan 8.290 nan 0.000 0.520 1193 A N 0.703 123.542 122.820 0.032 0.000 1.917 1193 A HA 0.238 4.558 4.320 0.001 0.000 0.219 1193 A C 2.829 180.375 177.584 -0.063 0.000 1.182 1193 A CA 3.038 55.071 52.037 -0.007 0.000 0.633 1193 A CB -0.919 18.068 19.000 -0.022 0.000 0.819 1193 A HN 1.894 nan 8.150 nan 0.000 0.448 1194 A N -1.509 121.199 122.820 -0.187 0.000 2.070 1194 A HA 0.086 4.407 4.320 0.001 0.000 0.220 1194 A C 1.209 178.540 177.584 -0.422 0.000 1.159 1194 A CA 0.863 52.684 52.037 -0.360 0.000 0.656 1194 A CB -0.627 18.043 19.000 -0.550 0.000 0.800 1194 A HN 0.506 nan 8.150 nan 0.000 0.453 1195 F N -0.019 119.931 119.950 -0.001 0.000 2.974 1195 F HA 0.288 4.816 4.527 0.001 0.000 0.292 1195 F C 0.790 176.589 175.800 -0.001 0.000 1.209 1195 F CA -0.666 57.334 58.000 -0.001 0.000 1.366 1195 F CB -0.168 38.832 39.000 -0.001 0.000 1.033 1195 F HN 0.032 nan 8.300 nan 0.000 0.516 1196 R N 2.442 122.996 120.500 0.090 0.000 2.486 1196 R HA 0.005 4.345 4.340 0.001 0.000 0.303 1196 R C 0.409 176.750 176.300 0.070 0.000 0.958 1196 R CA -0.417 55.720 56.100 0.062 0.000 1.077 1196 R CB 0.333 30.647 30.300 0.022 0.000 0.921 1196 R HN 0.329 nan 8.270 nan 0.000 0.406 1197 R N 3.160 123.697 120.500 0.062 0.000 2.583 1197 R HA 0.032 4.373 4.340 0.001 0.000 0.274 1197 R C -0.151 176.170 176.300 0.035 0.000 0.998 1197 R CA 0.095 56.224 56.100 0.048 0.000 1.081 1197 R CB 0.385 30.706 30.300 0.035 0.000 0.940 1197 R HN 0.387 nan 8.270 nan 0.000 0.413 1198 K N 0.000 120.419 120.400 0.032 0.000 2.780 1198 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1198 K CA 0.000 56.301 56.287 0.024 0.000 0.838 1198 K CB 0.000 32.515 32.500 0.026 0.000 1.064 1198 K HN 0.000 nan 8.250 nan 0.000 0.543