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_H 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 0.000 176.085 176.094 -0.014 0.000 1.182 745 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 745 V CB 0.000 31.829 31.823 0.011 0.000 1.184 746 L N 2.119 123.335 121.223 -0.011 0.000 2.895 746 L HA -0.066 4.272 4.340 -0.005 0.000 0.661 746 L C -2.257 174.598 176.870 -0.024 0.000 1.020 746 L CA 0.188 55.015 54.840 -0.021 0.000 1.342 746 L CB -1.063 40.972 42.059 -0.039 0.000 1.851 746 L HN 0.393 nan 8.230 nan 0.000 0.881 747 P HA 0.137 nan 4.420 nan 0.000 0.275 747 P C 0.356 177.692 177.300 0.060 0.000 1.270 747 P CA -0.289 62.856 63.100 0.075 0.000 0.791 747 P CB 0.278 32.033 31.700 0.091 0.000 1.089 748 F N 0.627 120.575 119.950 -0.004 0.000 2.591 748 F HA 0.269 4.793 4.527 -0.004 0.000 0.378 748 F C 1.648 177.444 175.800 -0.006 0.000 1.181 748 F CA 1.395 59.392 58.000 -0.005 0.000 1.340 748 F CB -1.302 37.694 39.000 -0.006 0.000 1.749 748 F HN 0.528 nan 8.300 nan 0.000 0.662 749 G N 1.388 110.220 108.800 0.053 0.000 2.144 749 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.218 749 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.218 749 G C -0.241 174.678 174.900 0.031 0.000 0.988 749 G CA 0.000 45.121 45.100 0.034 0.000 0.659 749 G HN 0.671 nan 8.290 nan 0.000 0.522 750 L N -3.555 117.690 121.223 0.036 0.000 2.765 750 L HA 0.971 5.308 4.340 -0.005 0.000 0.263 750 L C -0.151 176.733 176.870 0.022 0.000 1.068 750 L CA -0.681 54.175 54.840 0.027 0.000 0.903 750 L CB 1.330 43.409 42.059 0.034 0.000 1.512 750 L HN 0.405 nan 8.230 nan 0.000 0.404 751 T N -2.143 112.420 114.554 0.015 0.000 2.859 751 T HA 0.729 5.076 4.350 -0.005 0.000 0.281 751 T C -2.507 172.198 174.700 0.009 0.000 1.005 751 T CA -1.675 60.431 62.100 0.009 0.000 1.025 751 T CB 0.948 69.818 68.868 0.002 0.000 0.977 751 T HN 0.570 nan 8.240 nan 0.000 0.458 752 P HA 0.198 nan 4.420 nan 0.000 0.266 752 P C -0.471 176.819 177.300 -0.017 0.000 1.193 752 P CA -0.312 62.785 63.100 -0.004 0.000 0.770 752 P CB 0.398 32.091 31.700 -0.013 0.000 0.836 753 K N 2.866 123.254 120.400 -0.019 0.000 2.258 753 K HA 0.100 4.417 4.320 -0.005 0.000 0.284 753 K C 0.516 177.050 176.600 -0.110 0.000 1.051 753 K CA -0.755 55.511 56.287 -0.036 0.000 0.923 753 K CB 0.484 32.985 32.500 0.000 0.000 1.046 753 K HN 0.336 nan 8.250 nan 0.000 0.474 754 K N 2.426 122.713 120.400 -0.188 0.000 2.485 754 K HA 0.002 4.319 4.320 -0.005 0.000 0.277 754 K C -0.553 175.762 176.600 -0.475 0.000 0.990 754 K CA -0.168 55.928 56.287 -0.318 0.000 0.994 754 K CB 0.420 32.701 32.500 -0.365 0.000 0.906 754 K HN 0.165 nan 8.250 nan 0.000 0.488 755 V N 4.555 124.272 119.914 -0.328 0.000 2.427 755 V HA 0.087 4.204 4.120 -0.005 0.000 0.268 755 V C -0.241 175.674 176.094 -0.299 0.000 1.046 755 V CA -0.402 61.749 62.300 -0.248 0.000 0.970 755 V CB -0.783 30.971 31.823 -0.115 0.000 1.001 755 V HN 0.554 nan 8.190 nan 0.000 0.476 756 Y N 3.815 124.070 120.300 -0.076 0.000 2.307 756 Y HA 0.460 5.008 4.550 -0.004 0.000 0.324 756 Y C 0.699 176.548 175.900 -0.085 0.000 1.238 756 Y CA -0.563 57.467 58.100 -0.116 0.000 1.280 756 Y CB 1.157 39.506 38.460 -0.184 0.000 1.248 756 Y HN 0.425 nan 8.280 nan 0.000 0.508 757 K N 4.035 124.490 120.400 0.092 0.000 2.559 757 K HA 0.363 4.680 4.320 -0.005 0.000 0.249 757 K C -2.642 173.966 176.600 0.013 0.000 0.958 757 K CA -1.841 54.468 56.287 0.035 0.000 0.901 757 K CB 1.236 33.746 32.500 0.017 0.000 1.124 757 K HN 0.442 nan 8.250 nan 0.000 0.437 758 P HA 0.263 nan 4.420 nan 0.000 0.284 758 P C 0.106 177.400 177.300 -0.010 0.000 1.258 758 P CA -0.529 62.557 63.100 -0.024 0.000 0.824 758 P CB 1.460 33.140 31.700 -0.033 0.000 1.038 759 E N 0.146 120.341 120.200 -0.008 0.000 2.014 759 E HA 0.032 4.379 4.350 -0.005 0.000 0.190 759 E C 0.378 176.979 176.600 0.002 0.000 0.980 759 E CA 1.069 57.469 56.400 0.000 0.000 0.807 759 E CB -0.326 29.377 29.700 0.005 0.000 0.770 759 E HN 0.283 nan 8.360 nan 0.000 0.451 760 V N 2.121 122.037 119.914 0.004 0.000 2.539 760 V HA 0.160 4.278 4.120 -0.005 0.000 0.292 760 V C 0.173 176.269 176.094 0.004 0.000 1.045 760 V CA -0.788 61.517 62.300 0.007 0.000 0.945 760 V CB 1.421 33.253 31.823 0.015 0.000 0.993 760 V HN 0.063 nan 8.190 nan 0.000 0.464 761 Q N 3.460 123.262 119.800 0.004 0.000 2.307 761 Q HA 0.416 4.753 4.340 -0.005 0.000 0.261 761 Q C -0.961 175.043 176.000 0.007 0.000 1.051 761 Q CA 0.160 55.963 55.803 -0.000 0.000 0.911 761 Q CB 0.428 29.164 28.738 -0.003 0.000 1.227 761 Q HN 0.588 nan 8.270 nan 0.000 0.418 762 L N 2.628 123.852 121.223 0.002 0.000 2.431 762 L HA 0.547 4.884 4.340 -0.005 0.000 0.260 762 L C 0.400 177.274 176.870 0.006 0.000 1.098 762 L CA -0.644 54.209 54.840 0.023 0.000 0.800 762 L CB 0.511 42.576 42.059 0.009 0.000 1.210 762 L HN 0.465 nan 8.230 nan 0.000 0.465 763 R N 0.961 121.487 120.500 0.045 0.000 2.340 763 R HA 0.442 4.779 4.340 -0.005 0.000 0.300 763 R C -0.589 175.659 176.300 -0.086 0.000 1.069 763 R CA -0.441 55.668 56.100 0.016 0.000 0.984 763 R CB 0.602 30.966 30.300 0.107 0.000 1.003 763 R HN 0.614 nan 8.270 nan 0.000 0.459 764 R N 2.905 123.328 120.500 -0.128 0.000 2.670 764 R HA 0.513 4.851 4.340 -0.005 0.000 0.289 764 R C -2.531 173.601 176.300 -0.279 0.000 0.965 764 R CA -2.121 53.839 56.100 -0.233 0.000 0.899 764 R CB 0.964 31.133 30.300 -0.217 0.000 1.173 764 R HN 0.353 nan 8.270 nan 0.000 0.456 765 P HA 0.096 nan 4.420 nan 0.000 0.271 765 P C -0.895 176.089 177.300 -0.526 0.000 1.216 765 P CA -0.451 62.364 63.100 -0.475 0.000 0.776 765 P CB 0.569 31.846 31.700 -0.706 0.000 0.881 766 N N 2.370 120.890 118.700 -0.300 0.000 3.025 766 N HA 0.087 4.824 4.740 -0.005 0.000 0.315 766 N C 0.068 175.539 175.510 -0.064 0.000 1.511 766 N CA -0.299 52.634 53.050 -0.195 0.000 1.097 766 N CB -0.121 38.305 38.487 -0.100 0.000 1.395 766 N HN 0.488 nan 8.380 nan 0.000 0.511 767 W N 0.372 121.614 121.300 -0.097 0.000 2.093 767 W HA 0.356 5.013 4.660 -0.005 0.000 0.352 767 W C 0.156 176.572 176.519 -0.173 0.000 1.294 767 W CA -1.309 55.955 57.345 -0.135 0.000 1.290 767 W CB -0.478 28.881 29.460 -0.168 0.000 1.149 767 W HN -0.147 nan 8.180 nan 0.000 0.606 768 S N 2.334 118.073 115.700 0.065 0.000 2.414 768 S HA 0.128 4.596 4.470 -0.005 0.000 0.290 768 S C 0.358 174.711 174.600 -0.411 0.000 1.160 768 S CA -0.739 57.395 58.200 -0.110 0.000 1.069 768 S CB -0.536 62.588 63.200 -0.128 0.000 1.012 768 S HN 0.391 nan 8.310 nan 0.000 0.510 769 K N 2.561 122.811 120.400 -0.249 0.000 2.202 769 K HA 0.362 4.680 4.320 -0.005 0.000 0.264 769 K C -1.054 175.276 176.600 -0.450 0.000 1.010 769 K CA -0.212 55.834 56.287 -0.402 0.000 0.940 769 K CB 0.457 32.917 32.500 -0.066 0.000 0.983 769 K HN 0.382 nan 8.250 nan 0.000 0.475 770 F N 1.680 121.445 119.950 -0.309 0.000 2.426 770 F HA 0.310 4.835 4.527 -0.004 0.000 0.348 770 F C 0.200 175.894 175.800 -0.176 0.000 1.124 770 F CA -1.370 56.478 58.000 -0.253 0.000 1.008 770 F CB 1.918 40.701 39.000 -0.362 0.000 1.139 770 F HN 0.257 nan 8.300 nan 0.000 0.452 771 V N 3.088 123.059 119.914 0.096 0.000 3.369 771 V HA 0.459 4.576 4.120 -0.005 0.000 0.309 771 V C 1.050 177.161 176.094 0.029 0.000 1.069 771 V CA 0.130 62.456 62.300 0.043 0.000 1.042 771 V CB 1.701 33.545 31.823 0.037 0.000 1.192 771 V HN 0.930 nan 8.190 nan 0.000 0.447 772 A N 1.722 124.563 122.820 0.035 0.000 1.873 772 A HA -0.175 4.142 4.320 -0.005 0.000 0.218 772 A C 1.410 178.993 177.584 -0.002 0.000 1.193 772 A CA 2.190 54.257 52.037 0.050 0.000 0.629 772 A CB -0.664 18.395 19.000 0.098 0.000 0.826 772 A HN 1.000 nan 8.150 nan 0.000 0.447 773 E N 0.140 120.311 120.200 -0.049 0.000 2.359 773 E HA 0.128 4.475 4.350 -0.005 0.000 0.187 773 E C 0.292 176.712 176.600 -0.299 0.000 1.081 773 E CA 0.408 56.623 56.400 -0.308 0.000 0.929 773 E CB 0.013 29.542 29.700 -0.286 0.000 1.086 773 E HN 0.577 nan 8.360 nan 0.000 0.462 774 D N -0.047 120.240 120.400 -0.188 0.000 2.338 774 D HA 0.046 4.684 4.640 -0.005 0.000 0.208 774 D C 0.509 176.656 176.300 -0.255 0.000 0.997 774 D CA 0.082 53.961 54.000 -0.202 0.000 0.880 774 D CB 0.439 41.152 40.800 -0.144 0.000 0.980 774 D HN 0.173 nan 8.370 nan 0.000 0.509 775 L N 0.948 122.050 121.223 -0.202 0.000 2.456 775 L HA 0.054 4.391 4.340 -0.005 0.000 0.246 775 L C 1.264 178.050 176.870 -0.141 0.000 1.238 775 L CA 0.347 55.102 54.840 -0.142 0.000 0.826 775 L CB 0.377 42.411 42.059 -0.040 0.000 1.150 775 L HN -0.051 nan 8.230 nan 0.000 0.514 776 S N -1.793 113.861 115.700 -0.076 0.000 2.874 776 S HA 0.377 4.844 4.470 -0.005 0.000 0.318 776 S C 0.464 175.059 174.600 -0.008 0.000 1.109 776 S CA -0.655 57.512 58.200 -0.055 0.000 0.878 776 S CB 1.077 64.246 63.200 -0.051 0.000 1.307 776 S HN 0.426 nan 8.310 nan 0.000 0.592 777 Q N 0.556 120.359 119.800 0.006 0.000 2.020 777 Q HA 0.055 4.392 4.340 -0.005 0.000 0.198 777 Q C 0.389 176.392 176.000 0.006 0.000 0.974 777 Q CA 1.639 57.453 55.803 0.018 0.000 0.829 777 Q CB -0.519 28.233 28.738 0.022 0.000 0.894 777 Q HN 0.704 nan 8.270 nan 0.000 0.433 778 D N -0.319 120.081 120.400 -0.001 0.000 2.368 778 D HA 0.048 4.685 4.640 -0.005 0.000 0.218 778 D C 0.627 176.925 176.300 -0.004 0.000 1.112 778 D CA -0.077 53.920 54.000 -0.005 0.000 0.834 778 D CB -0.113 40.684 40.800 -0.006 0.000 0.953 778 D HN 0.281 nan 8.370 nan 0.000 0.505 779 C N -1.259 118.041 119.300 -0.000 0.000 2.563 779 C HA 0.319 4.777 4.460 -0.005 0.000 0.358 779 C C 2.016 177.011 174.990 0.008 0.000 1.336 779 C CA -0.938 58.089 59.018 0.014 0.000 2.454 779 C CB -0.188 27.567 27.740 0.026 0.000 2.448 779 C HN 0.233 nan 8.230 nan 0.000 0.670 780 F N 0.054 119.887 119.950 -0.195 0.000 2.259 780 F HA 0.132 4.656 4.527 -0.005 0.000 0.298 780 F C 1.638 177.241 175.800 -0.328 0.000 1.088 780 F CA 0.844 58.637 58.000 -0.346 0.000 1.358 780 F CB -0.282 38.366 39.000 -0.586 0.000 1.040 780 F HN 0.764 nan 8.300 nan 0.000 0.505 781 W N 0.122 121.357 121.300 -0.109 0.000 2.937 781 W HA 0.017 4.674 4.660 -0.005 0.000 0.245 781 W C 2.122 178.534 176.519 -0.177 0.000 1.306 781 W CA 0.838 58.073 57.345 -0.182 0.000 1.470 781 W CB -0.556 28.902 29.460 -0.003 0.000 1.132 781 W HN -0.158 nan 8.180 nan 0.000 0.675 782 T N -0.110 114.443 114.554 -0.002 0.000 2.852 782 T HA -0.149 4.198 4.350 -0.005 0.000 0.256 782 T C 1.865 176.511 174.700 -0.090 0.000 1.038 782 T CA 0.905 62.994 62.100 -0.017 0.000 1.141 782 T CB -0.210 68.655 68.868 -0.004 0.000 0.869 782 T HN 0.073 nan 8.240 nan 0.000 0.439 783 K N 2.057 122.350 120.400 -0.179 0.000 2.211 783 K HA -0.092 4.225 4.320 -0.005 0.000 0.204 783 K C 1.585 178.033 176.600 -0.254 0.000 1.047 783 K CA 1.292 57.449 56.287 -0.216 0.000 0.935 783 K CB -0.262 32.086 32.500 -0.254 0.000 0.728 783 K HN 0.399 nan 8.250 nan 0.000 0.452 784 V N -0.728 118.993 119.914 -0.323 0.000 3.272 784 V HA 0.182 4.299 4.120 -0.005 0.000 0.361 784 V C 1.163 177.237 176.094 -0.034 0.000 1.288 784 V CA 0.044 62.212 62.300 -0.220 0.000 1.315 784 V CB -0.263 31.371 31.823 -0.315 0.000 1.235 784 V HN 0.127 nan 8.190 nan 0.000 0.465 785 K N 1.105 121.486 120.400 -0.031 0.000 2.574 785 K HA -0.013 4.304 4.320 -0.005 0.000 0.193 785 K C 0.761 177.380 176.600 0.032 0.000 1.035 785 K CA 0.593 56.889 56.287 0.014 0.000 0.982 785 K CB -0.010 32.492 32.500 0.002 0.000 0.795 785 K HN 0.755 nan 8.250 nan 0.000 0.491 786 E N 1.267 121.478 120.200 0.017 0.000 2.323 786 E HA -0.065 4.282 4.350 -0.005 0.000 0.313 786 E C -0.173 176.522 176.600 0.158 0.000 1.236 786 E CA -0.269 56.171 56.400 0.067 0.000 1.333 786 E CB 0.388 30.089 29.700 0.001 0.000 1.138 786 E HN 0.183 nan 8.360 nan 0.000 0.492 787 D N 1.030 121.521 120.400 0.150 0.000 2.277 787 D HA -0.054 4.583 4.640 -0.005 0.000 0.208 787 D C 1.495 177.917 176.300 0.203 0.000 0.962 787 D CA 0.485 54.601 54.000 0.194 0.000 0.865 787 D CB 0.358 41.273 40.800 0.193 0.000 0.939 787 D HN 0.130 nan 8.370 nan 0.000 0.510 788 R N -0.064 120.543 120.500 0.179 0.000 2.189 788 R HA -0.042 4.295 4.340 -0.005 0.000 0.218 788 R C 1.859 178.275 176.300 0.193 0.000 1.074 788 R CA 0.037 56.236 56.100 0.166 0.000 0.991 788 R CB -0.915 29.465 30.300 0.132 0.000 0.883 788 R HN 0.244 nan 8.270 nan 0.000 0.457 789 F N 2.024 122.004 119.950 0.050 0.000 2.225 789 F HA -0.184 4.340 4.527 -0.004 0.000 0.302 789 F C -0.241 175.579 175.800 0.034 0.000 1.068 789 F CA 1.166 59.189 58.000 0.038 0.000 1.327 789 F CB 0.134 39.155 39.000 0.035 0.000 1.043 789 F HN -0.070 nan 8.300 nan 0.000 0.506 790 E N 0.573 120.762 120.200 -0.019 0.000 2.409 790 E HA 0.298 4.646 4.350 -0.005 0.000 0.259 790 E C -1.194 175.369 176.600 -0.062 0.000 0.932 790 E CA -0.401 55.920 56.400 -0.131 0.000 0.809 790 E CB 0.598 30.200 29.700 -0.164 0.000 1.341 790 E HN -0.016 nan 8.360 nan 0.000 0.405 791 N N 2.823 121.481 118.700 -0.071 0.000 2.454 791 N HA 0.401 5.138 4.740 -0.005 0.000 0.291 791 N C -1.234 174.214 175.510 -0.103 0.000 1.079 791 N CA -0.463 52.544 53.050 -0.072 0.000 0.893 791 N CB 1.322 39.845 38.487 0.060 0.000 1.512 791 N HN 0.345 nan 8.380 nan 0.000 0.497 792 N N 0.667 119.239 118.700 -0.213 0.000 3.513 792 N HA 0.303 5.040 4.740 -0.005 0.000 0.351 792 N C -0.282 175.141 175.510 -0.145 0.000 1.624 792 N CA -0.254 52.702 53.050 -0.157 0.000 0.712 792 N CB 0.437 38.824 38.487 -0.166 0.000 2.106 792 N HN 0.348 nan 8.380 nan 0.000 0.649 793 E N 0.789 120.935 120.200 -0.090 0.000 2.437 793 E HA 0.133 4.481 4.350 -0.005 0.000 0.195 793 E C 1.244 177.806 176.600 -0.062 0.000 1.029 793 E CA -0.086 56.299 56.400 -0.024 0.000 0.948 793 E CB -0.382 29.328 29.700 0.015 0.000 1.082 793 E HN 0.399 nan 8.360 nan 0.000 0.456 794 L N -2.295 118.814 121.223 -0.190 0.000 2.191 794 L HA -0.037 4.300 4.340 -0.005 0.000 0.212 794 L C 1.520 178.322 176.870 -0.113 0.000 1.103 794 L CA 1.426 56.163 54.840 -0.171 0.000 0.769 794 L CB -0.754 41.164 42.059 -0.234 0.000 0.908 794 L HN -0.062 nan 8.230 nan 0.000 0.438 795 F N 1.445 121.366 119.950 -0.049 0.000 2.236 795 F HA -0.172 4.352 4.527 -0.004 0.000 0.302 795 F C 2.538 178.311 175.800 -0.046 0.000 1.073 795 F CA 0.993 58.945 58.000 -0.081 0.000 1.336 795 F CB -1.077 37.852 39.000 -0.118 0.000 1.040 795 F HN 0.292 nan 8.300 nan 0.000 0.507 796 A N -0.866 122.039 122.820 0.142 0.000 2.095 796 A HA 0.003 4.321 4.320 -0.005 0.000 0.212 796 A C 2.077 179.697 177.584 0.060 0.000 1.162 796 A CA 0.431 52.519 52.037 0.086 0.000 0.753 796 A CB -0.289 18.750 19.000 0.067 0.000 0.840 796 A HN 0.293 nan 8.150 nan 0.000 0.468 797 K N -0.873 119.555 120.400 0.045 0.000 2.314 797 K HA 0.156 4.473 4.320 -0.005 0.000 0.198 797 K C 1.622 178.272 176.600 0.083 0.000 1.045 797 K CA 0.515 56.826 56.287 0.041 0.000 0.988 797 K CB -0.010 32.497 32.500 0.012 0.000 0.783 797 K HN 0.375 nan 8.250 nan 0.000 0.484 798 L N 0.969 122.255 121.223 0.104 0.000 2.102 798 L HA -0.076 4.261 4.340 -0.005 0.000 0.202 798 L C 2.050 179.046 176.870 0.211 0.000 1.076 798 L CA 1.709 56.655 54.840 0.176 0.000 0.761 798 L CB -0.606 41.508 42.059 0.092 0.000 0.921 798 L HN 0.155 nan 8.230 nan 0.000 0.444 799 T N -2.024 112.607 114.554 0.129 0.000 2.946 799 T HA -0.206 4.141 4.350 -0.005 0.000 0.271 799 T C 1.825 176.580 174.700 0.092 0.000 1.104 799 T CA 1.562 63.722 62.100 0.101 0.000 1.114 799 T CB -0.622 68.282 68.868 0.060 0.000 0.867 799 T HN 0.297 nan 8.240 nan 0.000 0.513 800 L N 0.796 122.070 121.223 0.085 0.000 2.049 800 L HA 0.340 4.677 4.340 -0.005 0.000 0.203 800 L C 2.867 179.745 176.870 0.012 0.000 1.074 800 L CA 1.459 56.324 54.840 0.041 0.000 0.749 800 L CB -0.646 41.430 42.059 0.027 0.000 0.907 800 L HN 0.286 nan 8.230 nan 0.000 0.439 801 A N -1.513 121.317 122.820 0.016 0.000 2.016 801 A HA -0.048 4.269 4.320 -0.005 0.000 0.217 801 A C 1.454 178.822 177.584 -0.360 0.000 1.162 801 A CA 1.143 53.064 52.037 -0.192 0.000 0.662 801 A CB -0.545 18.288 19.000 -0.278 0.000 0.812 801 A HN 0.461 nan 8.150 nan 0.000 0.450 802 F N 0.517 120.457 119.950 -0.017 0.000 2.698 802 F HA 0.176 4.701 4.527 -0.003 0.000 0.304 802 F C 1.071 176.856 175.800 -0.024 0.000 1.108 802 F CA -0.003 57.983 58.000 -0.024 0.000 1.263 802 F CB 0.380 39.362 39.000 -0.030 0.000 1.013 802 F HN 0.107 nan 8.300 nan 0.000 0.532 803 S N 1.142 116.900 115.700 0.098 0.000 2.549 803 S HA 0.606 5.073 4.470 -0.005 0.000 0.279 803 S C 0.107 174.726 174.600 0.032 0.000 1.321 803 S CA -0.462 57.773 58.200 0.058 0.000 1.054 803 S CB 1.571 64.791 63.200 0.033 0.000 0.899 803 S HN 0.225 nan 8.310 nan 0.000 0.497 804 A N 3.466 126.303 122.820 0.028 0.000 2.511 804 A HA 0.493 4.810 4.320 -0.005 0.000 0.340 804 A C 0.145 177.733 177.584 0.007 0.000 1.396 804 A CA -0.760 51.286 52.037 0.014 0.000 0.887 804 A CB 0.154 19.163 19.000 0.015 0.000 1.145 804 A HN 0.907 nan 8.150 nan 0.000 0.497 805 Q N 0.022 119.824 119.800 0.003 0.000 2.934 805 Q HA 0.625 4.962 4.340 -0.005 0.000 0.219 805 Q C 0.396 176.394 176.000 -0.002 0.000 1.024 805 Q CA -0.648 55.156 55.803 0.001 0.000 0.928 805 Q CB 1.254 29.992 28.738 0.000 0.000 1.594 805 Q HN 0.726 nan 8.270 nan 0.000 0.485 829 V N -3.435 116.477 119.914 -0.004 0.000 3.775 829 V HA -0.157 3.961 4.120 -0.005 0.000 0.537 829 V C -0.846 175.242 176.094 -0.009 0.000 0.682 829 V CA 0.803 63.100 62.300 -0.006 0.000 2.100 829 V CB -1.741 30.078 31.823 -0.006 0.000 2.498 829 V HN 1.270 nan 8.190 nan 0.000 0.519 830 K N -0.686 119.706 120.400 -0.014 0.000 6.703 830 K HA -0.104 4.213 4.320 -0.005 0.000 0.800 830 K C -0.387 176.202 176.600 -0.018 0.000 2.378 830 K CA 1.190 57.465 56.287 -0.021 0.000 1.724 830 K CB -0.456 32.030 32.500 -0.024 0.000 2.267 830 K HN 1.099 nan 8.250 nan 0.000 0.261 831 E N 2.674 122.862 120.200 -0.020 0.000 2.202 831 E HA 0.427 4.775 4.350 -0.005 0.000 0.272 831 E C -0.856 175.733 176.600 -0.018 0.000 0.951 831 E CA -0.942 55.449 56.400 -0.016 0.000 0.813 831 E CB 1.049 30.741 29.700 -0.013 0.000 1.151 831 E HN 0.300 nan 8.360 nan 0.000 0.398 832 L N 3.411 124.626 121.223 -0.014 0.000 2.375 832 L HA 0.267 4.604 4.340 -0.005 0.000 0.271 832 L C 0.814 177.677 176.870 -0.011 0.000 1.107 832 L CA 0.578 55.410 54.840 -0.013 0.000 0.806 832 L CB 1.054 43.107 42.059 -0.009 0.000 1.146 832 L HN 0.652 nan 8.230 nan 0.000 0.447 833 K N 1.245 121.639 120.400 -0.011 0.000 2.548 833 K HA 0.238 4.555 4.320 -0.005 0.000 0.209 833 K C 0.577 177.173 176.600 -0.007 0.000 1.420 833 K CA 0.180 56.461 56.287 -0.009 0.000 0.985 833 K CB 0.993 33.487 32.500 -0.010 0.000 1.249 833 K HN 0.424 nan 8.250 nan 0.000 0.557 834 V N 0.872 120.782 119.914 -0.007 0.000 3.177 834 V HA 0.161 4.278 4.120 -0.005 0.000 0.219 834 V C 0.609 176.701 176.094 -0.004 0.000 1.344 834 V CA -0.176 62.121 62.300 -0.006 0.000 1.324 834 V CB 0.405 32.225 31.823 -0.006 0.000 1.165 834 V HN 0.059 nan 8.190 nan 0.000 0.510 835 L N 3.020 124.241 121.223 -0.002 0.000 2.499 835 L HA 0.108 4.445 4.340 -0.005 0.000 0.281 835 L C 0.361 177.230 176.870 -0.002 0.000 1.234 835 L CA 0.177 55.017 54.840 0.000 0.000 0.839 835 L CB 0.033 42.096 42.059 0.006 0.000 1.104 835 L HN 0.527 nan 8.230 nan 0.000 0.500 836 D N 0.278 120.676 120.400 -0.002 0.000 2.354 836 D HA 0.024 4.661 4.640 -0.005 0.000 0.247 836 D C 0.938 177.236 176.300 -0.003 0.000 1.138 836 D CA -0.027 53.971 54.000 -0.003 0.000 0.958 836 D CB 1.157 41.955 40.800 -0.004 0.000 1.144 836 D HN 0.608 nan 8.370 nan 0.000 0.458 837 S N 1.037 116.735 115.700 -0.003 0.000 2.400 837 S HA -0.242 4.225 4.470 -0.005 0.000 0.232 837 S C 1.533 176.132 174.600 -0.002 0.000 1.025 837 S CA 0.829 59.028 58.200 -0.002 0.000 0.993 837 S CB -0.343 62.856 63.200 -0.002 0.000 0.808 837 S HN 0.506 nan 8.310 nan 0.000 0.478 838 K N 1.033 121.431 120.400 -0.004 0.000 1.965 838 K HA -0.057 4.260 4.320 -0.005 0.000 0.214 838 K C 2.569 179.164 176.600 -0.007 0.000 1.046 838 K CA 1.858 58.141 56.287 -0.006 0.000 0.944 838 K CB -0.950 31.545 32.500 -0.008 0.000 0.726 838 K HN 0.428 nan 8.250 nan 0.000 0.441 839 T N 1.472 116.021 114.554 -0.008 0.000 2.665 839 T HA -0.209 4.138 4.350 -0.005 0.000 0.268 839 T C 2.047 176.745 174.700 -0.004 0.000 1.035 839 T CA 1.607 63.701 62.100 -0.010 0.000 1.151 839 T CB -0.432 68.433 68.868 -0.005 0.000 0.862 839 T HN 0.362 nan 8.240 nan 0.000 0.438 840 A N 1.109 123.931 122.820 0.002 0.000 1.940 840 A HA -0.212 4.105 4.320 -0.005 0.000 0.219 840 A C 2.311 179.899 177.584 0.006 0.000 1.176 840 A CA 2.028 54.069 52.037 0.006 0.000 0.631 840 A CB -0.789 18.213 19.000 0.004 0.000 0.814 840 A HN 0.606 nan 8.150 nan 0.000 0.446 841 Q N -0.463 119.339 119.800 0.004 0.000 2.046 841 Q HA -0.219 4.119 4.340 -0.005 0.000 0.200 841 Q C 1.823 177.829 176.000 0.011 0.000 0.975 841 Q CA 1.748 57.555 55.803 0.007 0.000 0.836 841 Q CB -0.192 28.549 28.738 0.004 0.000 0.896 841 Q HN 0.647 nan 8.270 nan 0.000 0.428 842 N N 0.532 119.233 118.700 0.002 0.000 2.104 842 N HA -0.167 4.571 4.740 -0.005 0.000 0.190 842 N C 1.686 177.206 175.510 0.018 0.000 1.024 842 N CA 1.142 54.191 53.050 -0.002 0.000 0.853 842 N CB -0.259 38.209 38.487 -0.033 0.000 1.008 842 N HN 0.244 nan 8.380 nan 0.000 0.424 843 L N -0.227 121.000 121.223 0.007 0.000 2.141 843 L HA -0.056 4.281 4.340 -0.005 0.000 0.209 843 L C 2.145 179.055 176.870 0.067 0.000 1.094 843 L CA 0.707 55.565 54.840 0.030 0.000 0.763 843 L CB -0.218 41.830 42.059 -0.019 0.000 0.908 843 L HN 0.105 nan 8.230 nan 0.000 0.437 844 S N -0.124 115.601 115.700 0.041 0.000 2.382 844 S HA -0.106 4.361 4.470 -0.005 0.000 0.228 844 S C 1.883 176.507 174.600 0.039 0.000 1.027 844 S CA 1.205 59.427 58.200 0.036 0.000 0.991 844 S CB -0.164 63.051 63.200 0.024 0.000 0.823 844 S HN 0.308 nan 8.310 nan 0.000 0.469 845 I N 0.015 120.617 120.570 0.054 0.000 2.500 845 I HA -0.078 4.089 4.170 -0.005 0.000 0.252 845 I C 2.015 178.183 176.117 0.085 0.000 1.142 845 I CA 0.757 62.091 61.300 0.057 0.000 1.451 845 I CB -0.255 37.778 38.000 0.056 0.000 1.093 845 I HN 0.239 nan 8.210 nan 0.000 0.430 846 F N 1.909 121.828 119.950 -0.051 0.000 2.113 846 F HA -0.135 4.389 4.527 -0.005 0.000 0.297 846 F C 1.988 177.764 175.800 -0.039 0.000 1.103 846 F CA 1.691 59.647 58.000 -0.072 0.000 1.248 846 F CB -0.275 38.622 39.000 -0.172 0.000 0.999 846 F HN -0.128 nan 8.300 nan 0.000 0.475 847 L N -0.264 120.824 121.223 -0.226 0.000 2.478 847 L HA 0.105 4.442 4.340 -0.005 0.000 0.223 847 L C 2.115 178.915 176.870 -0.116 0.000 1.140 847 L CA 0.679 55.370 54.840 -0.248 0.000 0.842 847 L CB -0.963 41.089 42.059 -0.010 0.000 0.953 847 L HN 0.312 nan 8.230 nan 0.000 0.452 848 G N -1.514 107.243 108.800 -0.071 0.000 3.383 848 G HA2 0.068 4.025 3.960 -0.005 0.000 0.251 848 G HA3 0.068 4.025 3.960 -0.005 0.000 0.251 848 G C 1.037 175.906 174.900 -0.052 0.000 1.203 848 G CA 0.644 45.718 45.100 -0.043 0.000 0.852 848 G HN 0.262 nan 8.290 nan 0.000 0.531 849 S N -1.594 114.053 115.700 -0.088 0.000 2.761 849 S HA 0.155 4.622 4.470 -0.005 0.000 0.273 849 S C 1.223 175.778 174.600 -0.075 0.000 1.073 849 S CA -0.210 57.954 58.200 -0.061 0.000 1.048 849 S CB -0.204 62.987 63.200 -0.014 0.000 0.955 849 S HN 0.136 nan 8.310 nan 0.000 0.500 850 F N 3.568 123.293 119.950 -0.375 0.000 2.234 850 F HA 0.325 4.849 4.527 -0.005 0.000 0.296 850 F C 1.541 177.198 175.800 -0.238 0.000 1.089 850 F CA 1.506 59.281 58.000 -0.376 0.000 1.343 850 F CB 0.194 38.770 39.000 -0.706 0.000 1.040 850 F HN 0.098 nan 8.300 nan 0.000 0.498 851 R N -0.932 119.506 120.500 -0.104 0.000 4.010 851 R HA -0.279 4.058 4.340 -0.005 0.000 0.409 851 R C 0.379 176.594 176.300 -0.141 0.000 1.120 851 R CA 1.167 57.188 56.100 -0.131 0.000 1.244 851 R CB -2.946 27.275 30.300 -0.131 0.000 1.799 851 R HN 0.407 nan 8.270 nan 0.000 0.559 852 M N 2.366 121.899 119.600 -0.112 0.000 2.235 852 M HA 0.249 4.727 4.480 -0.005 0.000 0.351 852 M C -1.810 174.429 176.300 -0.101 0.000 1.178 852 M CA -1.416 53.841 55.300 -0.072 0.000 1.143 852 M CB 0.899 33.501 32.600 0.003 0.000 1.530 852 M HN -0.264 nan 8.290 nan 0.000 0.461 853 P HA -0.000 nan 4.420 nan 0.000 0.267 853 P C -0.715 176.557 177.300 -0.046 0.000 1.200 853 P CA 0.179 63.185 63.100 -0.157 0.000 0.772 853 P CB 0.228 31.899 31.700 -0.049 0.000 0.855 854 Y N -0.098 120.308 120.300 0.176 0.000 2.293 854 Y HA -0.145 4.402 4.550 -0.005 0.000 0.291 854 Y C 2.350 178.319 175.900 0.115 0.000 1.137 854 Y CA 1.166 59.389 58.100 0.206 0.000 1.202 854 Y CB -0.752 37.856 38.460 0.247 0.000 0.990 854 Y HN 0.343 nan 8.280 nan 0.000 0.537 855 Q N 0.337 120.257 119.800 0.200 0.000 2.167 855 Q HA -0.188 4.149 4.340 -0.005 0.000 0.202 855 Q C 2.107 178.160 176.000 0.090 0.000 0.970 855 Q CA 1.237 57.102 55.803 0.104 0.000 0.855 855 Q CB -0.142 28.634 28.738 0.062 0.000 0.911 855 Q HN 0.636 nan 8.270 nan 0.000 0.438 856 E N -0.057 120.200 120.200 0.094 0.000 2.046 856 E HA -0.107 4.240 4.350 -0.005 0.000 0.190 856 E C 1.978 178.653 176.600 0.125 0.000 0.982 856 E CA 0.292 56.742 56.400 0.084 0.000 0.800 856 E CB 0.164 29.898 29.700 0.057 0.000 0.756 856 E HN 0.169 nan 8.360 nan 0.000 0.449 857 I N 1.786 122.470 120.570 0.190 0.000 2.145 857 I HA -0.337 3.830 4.170 -0.005 0.000 0.244 857 I C 2.509 178.730 176.117 0.173 0.000 1.075 857 I CA 1.563 63.016 61.300 0.255 0.000 1.332 857 I CB -1.051 37.189 38.000 0.401 0.000 1.033 857 I HN 0.210 nan 8.210 nan 0.000 0.410 858 K N 1.184 121.657 120.400 0.122 0.000 2.032 858 K HA -0.204 4.113 4.320 -0.005 0.000 0.209 858 K C 1.821 178.460 176.600 0.066 0.000 1.048 858 K CA 1.871 58.195 56.287 0.063 0.000 0.927 858 K CB -0.147 32.370 32.500 0.029 0.000 0.712 858 K HN 0.437 nan 8.250 nan 0.000 0.441 859 N N -0.101 118.640 118.700 0.070 0.000 2.166 859 N HA -0.136 4.601 4.740 -0.005 0.000 0.186 859 N C 1.742 177.293 175.510 0.069 0.000 1.019 859 N CA 1.084 54.170 53.050 0.060 0.000 0.856 859 N CB 0.090 38.607 38.487 0.050 0.000 0.993 859 N HN -0.001 nan 8.380 nan 0.000 0.426 860 V N 1.795 121.761 119.914 0.086 0.000 2.427 860 V HA -0.176 3.942 4.120 -0.005 0.000 0.248 860 V C 2.171 178.321 176.094 0.094 0.000 1.051 860 V CA 1.080 63.434 62.300 0.090 0.000 1.048 860 V CB -0.338 31.553 31.823 0.114 0.000 0.666 860 V HN 0.303 nan 8.190 nan 0.000 0.456 861 I N -0.323 120.309 120.570 0.103 0.000 2.233 861 I HA -0.163 4.004 4.170 -0.005 0.000 0.243 861 I C 2.351 178.534 176.117 0.109 0.000 1.093 861 I CA 1.692 63.055 61.300 0.104 0.000 1.380 861 I CB -1.027 37.028 38.000 0.093 0.000 1.067 861 I HN 0.270 nan 8.210 nan 0.000 0.413 862 L N 0.334 121.615 121.223 0.095 0.000 2.046 862 L HA -0.184 4.154 4.340 -0.005 0.000 0.208 862 L C 2.430 179.368 176.870 0.113 0.000 1.077 862 L CA 1.372 56.277 54.840 0.108 0.000 0.747 862 L CB -0.467 41.640 42.059 0.079 0.000 0.896 862 L HN 0.244 nan 8.230 nan 0.000 0.432 863 E N -0.606 119.643 120.200 0.082 0.000 2.208 863 E HA -0.053 4.294 4.350 -0.005 0.000 0.193 863 E C 0.393 177.023 176.600 0.049 0.000 0.988 863 E CA 0.442 56.879 56.400 0.061 0.000 0.828 863 E CB 0.390 30.117 29.700 0.045 0.000 0.763 863 E HN 0.170 nan 8.360 nan 0.000 0.478 864 V N 2.368 122.318 119.914 0.060 0.000 6.125 864 V HA -0.226 3.891 4.120 -0.005 0.000 0.281 864 V C -0.254 175.848 176.094 0.012 0.000 0.591 864 V CA 0.386 62.705 62.300 0.032 0.000 0.617 864 V CB -1.883 29.935 31.823 -0.009 0.000 0.336 864 V HN 0.406 nan 8.190 nan 0.000 0.650 865 N N 1.173 119.890 118.700 0.028 0.000 2.402 865 N HA 0.161 4.898 4.740 -0.005 0.000 0.252 865 N C 1.006 176.525 175.510 0.015 0.000 1.118 865 N CA -0.011 53.051 53.050 0.020 0.000 0.945 865 N CB 1.436 39.940 38.487 0.029 0.000 1.147 865 N HN 0.674 nan 8.380 nan 0.000 0.495 866 E N 2.660 122.861 120.200 0.002 0.000 2.347 866 E HA 0.018 4.365 4.350 -0.005 0.000 0.196 866 E C 1.448 178.051 176.600 0.005 0.000 1.008 866 E CA 0.600 56.999 56.400 -0.001 0.000 0.852 866 E CB 0.180 29.874 29.700 -0.010 0.000 0.783 866 E HN 0.694 nan 8.360 nan 0.000 0.505 867 A N -0.568 122.256 122.820 0.006 0.000 2.072 867 A HA 0.001 4.319 4.320 -0.005 0.000 0.216 867 A C 2.038 179.626 177.584 0.007 0.000 1.156 867 A CA 0.865 52.905 52.037 0.005 0.000 0.701 867 A CB 0.154 19.155 19.000 0.002 0.000 0.816 867 A HN 0.170 nan 8.150 nan 0.000 0.458 868 V N -0.213 119.709 119.914 0.014 0.000 2.581 868 V HA 0.132 4.250 4.120 -0.005 0.000 0.240 868 V C 1.088 177.204 176.094 0.037 0.000 1.054 868 V CA 0.156 62.467 62.300 0.019 0.000 1.076 868 V CB -0.801 31.039 31.823 0.029 0.000 0.748 868 V HN 0.393 nan 8.190 nan 0.000 0.474 869 L N 2.155 123.408 121.223 0.048 0.000 2.453 869 L HA 0.313 4.650 4.340 -0.005 0.000 0.272 869 L C 0.461 177.364 176.870 0.055 0.000 1.182 869 L CA 0.503 55.383 54.840 0.067 0.000 0.858 869 L CB 0.558 42.651 42.059 0.056 0.000 1.120 869 L HN 0.456 nan 8.230 nan 0.000 0.474 870 T N -2.332 112.267 114.554 0.076 0.000 2.916 870 T HA 0.215 4.562 4.350 -0.005 0.000 0.292 870 T C 0.583 175.326 174.700 0.072 0.000 1.064 870 T CA -0.861 61.276 62.100 0.063 0.000 1.011 870 T CB 1.941 70.845 68.868 0.061 0.000 1.152 870 T HN 0.666 nan 8.240 nan 0.000 0.510 871 E N 0.538 120.772 120.200 0.056 0.000 2.085 871 E HA -0.193 4.154 4.350 -0.005 0.000 0.194 871 E C 2.017 178.659 176.600 0.071 0.000 0.994 871 E CA 1.572 58.006 56.400 0.056 0.000 0.801 871 E CB -0.200 29.527 29.700 0.044 0.000 0.743 871 E HN 0.640 nan 8.360 nan 0.000 0.453 872 S N -0.174 115.573 115.700 0.077 0.000 2.382 872 S HA -0.185 4.282 4.470 -0.005 0.000 0.228 872 S C 1.965 176.650 174.600 0.142 0.000 1.027 872 S CA 1.510 59.767 58.200 0.095 0.000 0.991 872 S CB -0.214 63.039 63.200 0.088 0.000 0.823 872 S HN 0.404 nan 8.310 nan 0.000 0.469 873 M N 0.300 120.002 119.600 0.170 0.000 2.123 873 M HA -0.001 4.477 4.480 -0.005 0.000 0.263 873 M C 1.622 178.046 176.300 0.207 0.000 1.069 873 M CA 1.375 56.839 55.300 0.272 0.000 1.133 873 M CB -0.148 32.625 32.600 0.289 0.000 1.356 873 M HN 0.284 nan 8.290 nan 0.000 0.415 874 I N 0.661 121.316 120.570 0.140 0.000 2.202 874 I HA -0.272 3.896 4.170 -0.005 0.000 0.242 874 I C 2.323 178.477 176.117 0.061 0.000 1.091 874 I CA 1.545 62.905 61.300 0.100 0.000 1.368 874 I CB -1.536 36.515 38.000 0.084 0.000 1.058 874 I HN 0.480 nan 8.210 nan 0.000 0.410 875 Q N 0.513 120.348 119.800 0.058 0.000 2.077 875 Q HA -0.270 4.067 4.340 -0.005 0.000 0.206 875 Q C 1.982 177.975 176.000 -0.011 0.000 0.989 875 Q CA 2.131 57.953 55.803 0.031 0.000 0.853 875 Q CB -0.288 28.473 28.738 0.040 0.000 0.907 875 Q HN 0.546 nan 8.270 nan 0.000 0.418 876 N N 0.072 118.766 118.700 -0.011 0.000 2.223 876 N HA -0.111 4.626 4.740 -0.005 0.000 0.185 876 N C 1.631 176.972 175.510 -0.282 0.000 1.016 876 N CA 0.707 53.688 53.050 -0.116 0.000 0.863 876 N CB -0.007 38.472 38.487 -0.014 0.000 0.983 876 N HN 0.140 nan 8.380 nan 0.000 0.429 877 L N 0.293 121.418 121.223 -0.164 0.000 2.027 877 L HA -0.115 4.222 4.340 -0.005 0.000 0.206 877 L C 1.887 178.694 176.870 -0.106 0.000 1.074 877 L CA 0.932 55.683 54.840 -0.148 0.000 0.745 877 L CB -0.364 41.703 42.059 0.013 0.000 0.898 877 L HN 0.225 nan 8.230 nan 0.000 0.433 878 I N -0.117 120.418 120.570 -0.058 0.000 2.163 878 I HA -0.354 3.813 4.170 -0.005 0.000 0.243 878 I C 2.654 178.730 176.117 -0.069 0.000 1.085 878 I CA 1.522 62.799 61.300 -0.038 0.000 1.347 878 I CB -0.349 37.645 38.000 -0.009 0.000 1.044 878 I HN 0.242 nan 8.210 nan 0.000 0.408 879 K N 0.498 120.836 120.400 -0.104 0.000 2.025 879 K HA -0.173 4.144 4.320 -0.005 0.000 0.207 879 K C 2.214 178.719 176.600 -0.157 0.000 1.049 879 K CA 1.201 57.420 56.287 -0.113 0.000 0.933 879 K CB 0.065 32.499 32.500 -0.110 0.000 0.714 879 K HN 0.199 nan 8.250 nan 0.000 0.438 880 Q N -0.206 119.427 119.800 -0.279 0.000 2.378 880 Q HA 0.010 4.347 4.340 -0.005 0.000 0.205 880 Q C 0.317 176.206 176.000 -0.186 0.000 0.954 880 Q CA 0.376 55.967 55.803 -0.354 0.000 0.901 880 Q CB 0.172 28.405 28.738 -0.843 0.000 0.981 880 Q HN 0.343 nan 8.270 nan 0.000 0.483 881 M N 1.984 121.530 119.600 -0.091 0.000 2.239 881 M HA 0.127 4.604 4.480 -0.005 0.000 0.348 881 M C -2.024 174.288 176.300 0.020 0.000 1.239 881 M CA -1.570 53.751 55.300 0.036 0.000 1.114 881 M CB -0.087 32.531 32.600 0.029 0.000 1.641 881 M HN -0.157 nan 8.290 nan 0.000 0.453 882 P HA 0.085 nan 4.420 nan 0.000 0.272 882 P C -0.900 176.402 177.300 0.003 0.000 1.230 882 P CA -0.235 62.879 63.100 0.023 0.000 0.788 882 P CB 0.351 32.072 31.700 0.036 0.000 0.949 883 E N 2.684 122.880 120.200 -0.006 0.000 2.266 883 E HA 0.235 4.582 4.350 -0.005 0.000 0.277 883 E C -1.944 174.645 176.600 -0.018 0.000 1.018 883 E CA -2.077 54.316 56.400 -0.013 0.000 0.840 883 E CB 0.052 29.744 29.700 -0.013 0.000 1.082 883 E HN 0.178 nan 8.360 nan 0.000 0.395 884 P HA -0.332 nan 4.420 nan 0.000 0.230 884 P C 0.659 177.942 177.300 -0.029 0.000 1.150 884 P CA 1.977 65.059 63.100 -0.031 0.000 0.933 884 P CB 0.104 31.785 31.700 -0.031 0.000 0.785 885 E N -0.879 119.307 120.200 -0.023 0.000 2.085 885 E HA -0.223 4.124 4.350 -0.005 0.000 0.194 885 E C 2.270 178.859 176.600 -0.019 0.000 0.994 885 E CA 1.163 57.551 56.400 -0.021 0.000 0.801 885 E CB -0.429 29.261 29.700 -0.017 0.000 0.743 885 E HN 0.470 nan 8.360 nan 0.000 0.453 886 Q N 0.335 120.125 119.800 -0.017 0.000 2.049 886 Q HA -0.083 4.254 4.340 -0.005 0.000 0.198 886 Q C 2.424 178.414 176.000 -0.018 0.000 0.971 886 Q CA 0.851 56.646 55.803 -0.013 0.000 0.833 886 Q CB -0.092 28.642 28.738 -0.007 0.000 0.896 886 Q HN 0.286 nan 8.270 nan 0.000 0.434 887 L N 1.057 122.266 121.223 -0.025 0.000 2.043 887 L HA -0.260 4.077 4.340 -0.005 0.000 0.212 887 L C 2.647 179.494 176.870 -0.038 0.000 1.075 887 L CA 1.307 56.124 54.840 -0.038 0.000 0.752 887 L CB -0.544 41.485 42.059 -0.051 0.000 0.891 887 L HN 0.211 nan 8.230 nan 0.000 0.432 888 K N 0.264 120.643 120.400 -0.035 0.000 2.057 888 K HA -0.176 4.141 4.320 -0.005 0.000 0.207 888 K C 2.123 178.707 176.600 -0.026 0.000 1.049 888 K CA 1.548 57.814 56.287 -0.034 0.000 0.931 888 K CB -0.070 32.410 32.500 -0.033 0.000 0.714 888 K HN 0.272 nan 8.250 nan 0.000 0.440 889 M N 0.532 120.119 119.600 -0.021 0.000 2.374 889 M HA -0.099 4.378 4.480 -0.005 0.000 0.264 889 M C 1.857 178.149 176.300 -0.013 0.000 1.067 889 M CA 0.984 56.274 55.300 -0.016 0.000 1.103 889 M CB 0.098 32.690 32.600 -0.013 0.000 1.402 889 M HN 0.120 nan 8.290 nan 0.000 0.444 890 L N -0.892 120.323 121.223 -0.015 0.000 2.375 890 L HA -0.038 4.299 4.340 -0.005 0.000 0.215 890 L C 2.471 179.336 176.870 -0.008 0.000 1.108 890 L CA 0.585 55.420 54.840 -0.009 0.000 0.830 890 L CB -0.228 41.825 42.059 -0.010 0.000 0.959 890 L HN 0.305 nan 8.230 nan 0.000 0.457 891 S N -1.230 114.458 115.700 -0.020 0.000 2.555 891 S HA -0.103 4.364 4.470 -0.005 0.000 0.230 891 S C 1.416 176.007 174.600 -0.016 0.000 0.978 891 S CA 0.606 58.792 58.200 -0.024 0.000 0.934 891 S CB -0.177 63.001 63.200 -0.037 0.000 0.766 891 S HN 0.469 nan 8.310 nan 0.000 0.533 892 E N -0.133 120.060 120.200 -0.011 0.000 2.474 892 E HA 0.244 4.592 4.350 -0.005 0.000 0.195 892 E C 0.136 176.737 176.600 0.000 0.000 1.039 892 E CA -0.048 56.347 56.400 -0.008 0.000 0.881 892 E CB 0.185 29.879 29.700 -0.010 0.000 0.970 892 E HN 0.359 nan 8.360 nan 0.000 0.486 893 L N 0.386 121.614 121.223 0.008 0.000 2.769 893 L HA 0.136 4.473 4.340 -0.005 0.000 0.240 893 L C 1.330 178.224 176.870 0.039 0.000 1.163 893 L CA 0.373 55.224 54.840 0.019 0.000 0.962 893 L CB 0.090 42.159 42.059 0.017 0.000 1.258 893 L HN -0.095 nan 8.230 nan 0.000 0.513 894 K N 0.281 120.700 120.400 0.031 0.000 2.052 894 K HA -0.306 4.011 4.320 -0.005 0.000 0.215 894 K C 1.837 178.475 176.600 0.063 0.000 1.053 894 K CA 2.139 58.449 56.287 0.039 0.000 0.934 894 K CB -0.076 32.425 32.500 0.001 0.000 0.717 894 K HN 0.373 nan 8.250 nan 0.000 0.450 895 E N 1.057 121.282 120.200 0.042 0.000 2.160 895 E HA -0.196 4.152 4.350 -0.005 0.000 0.195 895 E C 0.818 177.460 176.600 0.069 0.000 0.991 895 E CA 1.191 57.617 56.400 0.044 0.000 0.810 895 E CB 0.138 29.853 29.700 0.025 0.000 0.742 895 E HN 0.438 nan 8.360 nan 0.000 0.466 896 E N -0.343 119.898 120.200 0.068 0.000 2.336 896 E HA -0.062 4.285 4.350 -0.005 0.000 0.214 896 E C 0.819 177.470 176.600 0.085 0.000 1.144 896 E CA -0.374 56.063 56.400 0.063 0.000 1.294 896 E CB -0.264 29.454 29.700 0.030 0.000 1.263 896 E HN 0.320 nan 8.360 nan 0.000 0.439 897 Y N 2.260 122.560 120.300 -0.001 0.000 2.207 897 Y HA -0.256 4.291 4.550 -0.005 0.000 0.287 897 Y C 1.463 177.368 175.900 0.009 0.000 1.156 897 Y CA 2.151 60.251 58.100 -0.000 0.000 1.182 897 Y CB 0.160 38.622 38.460 0.003 0.000 0.979 897 Y HN 0.158 nan 8.280 nan 0.000 0.521 898 D N -0.289 120.115 120.400 0.007 0.000 2.183 898 D HA -0.154 4.484 4.640 -0.005 0.000 0.203 898 D C 1.203 177.447 176.300 -0.094 0.000 0.969 898 D CA 1.380 55.343 54.000 -0.061 0.000 0.842 898 D CB -0.175 40.651 40.800 0.043 0.000 0.957 898 D HN 0.518 nan 8.370 nan 0.000 0.484 899 D N 0.528 120.891 120.400 -0.061 0.000 2.347 899 D HA 0.037 4.674 4.640 -0.005 0.000 0.215 899 D C 1.213 177.468 176.300 -0.074 0.000 0.976 899 D CA 0.111 54.081 54.000 -0.050 0.000 0.884 899 D CB 0.560 41.346 40.800 -0.022 0.000 0.915 899 D HN 0.230 nan 8.370 nan 0.000 0.526 900 L N 0.537 121.686 121.223 -0.125 0.000 2.476 900 L HA 0.287 4.624 4.340 -0.005 0.000 0.255 900 L C 0.905 177.699 176.870 -0.127 0.000 1.218 900 L CA -0.636 54.127 54.840 -0.128 0.000 0.819 900 L CB 0.351 42.308 42.059 -0.169 0.000 1.119 900 L HN -0.114 nan 8.230 nan 0.000 0.485 901 A N 0.002 122.766 122.820 -0.093 0.000 2.264 901 A HA 0.219 4.536 4.320 -0.005 0.000 0.304 901 A C 0.992 178.530 177.584 -0.078 0.000 1.100 901 A CA -0.404 51.593 52.037 -0.067 0.000 0.839 901 A CB 0.592 19.570 19.000 -0.036 0.000 1.121 901 A HN 0.893 nan 8.150 nan 0.000 0.496 902 E N 0.249 120.430 120.200 -0.031 0.000 2.068 902 E HA -0.281 4.066 4.350 -0.005 0.000 0.207 902 E C 2.288 178.865 176.600 -0.038 0.000 1.032 902 E CA 2.450 58.856 56.400 0.010 0.000 0.839 902 E CB -0.155 29.587 29.700 0.070 0.000 0.758 902 E HN 0.862 nan 8.360 nan 0.000 0.457 903 S N 0.443 116.136 115.700 -0.011 0.000 2.368 903 S HA -0.181 4.286 4.470 -0.005 0.000 0.225 903 S C 1.801 176.412 174.600 0.018 0.000 1.030 903 S CA 1.255 59.461 58.200 0.009 0.000 0.999 903 S CB -0.316 62.895 63.200 0.017 0.000 0.844 903 S HN 0.257 nan 8.310 nan 0.000 0.459 904 E N 1.112 121.298 120.200 -0.024 0.000 2.208 904 E HA -0.085 4.262 4.350 -0.005 0.000 0.193 904 E C 2.433 178.999 176.600 -0.057 0.000 0.988 904 E CA 0.789 57.174 56.400 -0.025 0.000 0.828 904 E CB -0.160 29.520 29.700 -0.034 0.000 0.763 904 E HN 0.670 nan 8.360 nan 0.000 0.478 905 Q N 0.051 119.759 119.800 -0.153 0.000 2.020 905 Q HA -0.195 4.143 4.340 -0.005 0.000 0.202 905 Q C 1.997 177.904 176.000 -0.155 0.000 0.982 905 Q CA 1.439 57.126 55.803 -0.194 0.000 0.838 905 Q CB -0.257 28.231 28.738 -0.416 0.000 0.899 905 Q HN 0.255 nan 8.270 nan 0.000 0.423 906 F N 0.940 120.546 119.950 -0.574 0.000 2.120 906 F HA -0.222 4.302 4.527 -0.004 0.000 0.300 906 F C 2.013 177.735 175.800 -0.129 0.000 1.095 906 F CA 1.878 59.630 58.000 -0.412 0.000 1.249 906 F CB -0.707 38.126 39.000 -0.279 0.000 0.995 906 F HN 0.062 nan 8.300 nan 0.000 0.480 907 G N -0.140 108.659 108.800 -0.003 0.000 2.459 907 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.217 907 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.217 907 G C 1.733 176.576 174.900 -0.095 0.000 1.183 907 G CA 1.404 46.476 45.100 -0.046 0.000 0.776 907 G HN 0.358 nan 8.290 nan 0.000 0.552 908 V N 0.475 120.368 119.914 -0.037 0.000 2.358 908 V HA -0.162 3.956 4.120 -0.005 0.000 0.246 908 V C 3.043 179.097 176.094 -0.067 0.000 1.047 908 V CA 1.477 63.769 62.300 -0.014 0.000 1.035 908 V CB -0.416 31.461 31.823 0.090 0.000 0.658 908 V HN 0.252 nan 8.190 nan 0.000 0.452 909 V N -0.360 119.500 119.914 -0.090 0.000 2.295 909 V HA -0.285 3.832 4.120 -0.005 0.000 0.246 909 V C 2.494 178.479 176.094 -0.183 0.000 1.049 909 V CA 1.962 64.186 62.300 -0.128 0.000 1.024 909 V CB -0.645 31.127 31.823 -0.086 0.000 0.648 909 V HN 0.421 nan 8.190 nan 0.000 0.447 910 M N 0.540 119.954 119.600 -0.310 0.000 2.296 910 M HA -0.017 4.460 4.480 -0.005 0.000 0.265 910 M C 2.302 178.491 176.300 -0.185 0.000 1.064 910 M CA 1.692 56.803 55.300 -0.315 0.000 1.109 910 M CB -1.822 30.464 32.600 -0.523 0.000 1.396 910 M HN 0.451 nan 8.290 nan 0.000 0.430 911 G N 0.751 109.461 108.800 -0.150 0.000 2.432 911 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.219 911 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.219 911 G C 1.564 176.408 174.900 -0.094 0.000 1.135 911 G CA 1.639 46.677 45.100 -0.103 0.000 0.767 911 G HN 0.570 nan 8.290 nan 0.000 0.550 912 T N -1.296 113.201 114.554 -0.095 0.000 3.067 912 T HA 0.173 4.521 4.350 -0.005 0.000 0.261 912 T C 0.936 175.585 174.700 -0.085 0.000 1.110 912 T CA 0.022 62.072 62.100 -0.083 0.000 1.113 912 T CB -0.054 68.767 68.868 -0.077 0.000 0.917 912 T HN -0.052 nan 8.240 nan 0.000 0.499 913 V N 4.313 124.173 119.914 -0.090 0.000 2.446 913 V HA 0.258 4.375 4.120 -0.005 0.000 0.276 913 V C -2.196 173.832 176.094 -0.109 0.000 1.030 913 V CA -1.788 60.462 62.300 -0.082 0.000 1.033 913 V CB 0.226 32.008 31.823 -0.068 0.000 0.993 913 V HN 0.322 nan 8.190 nan 0.000 0.477 914 P HA 0.274 nan 4.420 nan 0.000 0.276 914 P C -0.028 177.093 177.300 -0.299 0.000 1.235 914 P CA -0.420 62.541 63.100 -0.232 0.000 0.772 914 P CB 0.368 31.890 31.700 -0.296 0.000 0.871 915 R N 1.753 122.089 120.500 -0.273 0.000 3.205 915 R HA -0.181 4.157 4.340 -0.005 0.000 0.249 915 R C 0.662 176.905 176.300 -0.095 0.000 0.937 915 R CA 0.172 56.137 56.100 -0.224 0.000 0.641 915 R CB -2.386 27.670 30.300 -0.407 0.000 1.114 915 R HN 0.595 nan 8.270 nan 0.000 0.451 916 L N 0.072 121.249 121.223 -0.076 0.000 2.027 916 L HA -0.162 4.175 4.340 -0.005 0.000 0.206 916 L C 2.622 179.487 176.870 -0.009 0.000 1.074 916 L CA 1.730 56.548 54.840 -0.038 0.000 0.745 916 L CB -0.134 41.895 42.059 -0.050 0.000 0.898 916 L HN 0.258 nan 8.230 nan 0.000 0.433 917 R N 0.178 120.670 120.500 -0.014 0.000 2.094 917 R HA -0.170 4.167 4.340 -0.005 0.000 0.239 917 R C -0.624 175.689 176.300 0.023 0.000 1.137 917 R CA 2.063 58.164 56.100 0.002 0.000 0.943 917 R CB -1.443 28.852 30.300 -0.008 0.000 0.850 917 R HN 0.282 nan 8.270 nan 0.000 0.433 918 P HA -0.113 nan 4.420 nan 0.000 0.217 918 P C 0.689 178.036 177.300 0.077 0.000 1.151 918 P CA 1.166 64.304 63.100 0.064 0.000 0.828 918 P CB -0.074 31.683 31.700 0.095 0.000 0.788 919 R N -0.417 120.107 120.500 0.040 0.000 2.083 919 R HA -0.138 4.200 4.340 -0.005 0.000 0.237 919 R C 1.954 178.321 176.300 0.112 0.000 1.137 919 R CA 1.385 57.473 56.100 -0.019 0.000 0.951 919 R CB -0.893 29.377 30.300 -0.050 0.000 0.851 919 R HN 0.075 nan 8.270 nan 0.000 0.434 920 L N 1.251 122.522 121.223 0.079 0.000 2.056 920 L HA -0.117 4.220 4.340 -0.005 0.000 0.207 920 L C 1.959 178.884 176.870 0.093 0.000 1.078 920 L CA 1.608 56.498 54.840 0.084 0.000 0.749 920 L CB -0.906 41.187 42.059 0.057 0.000 0.901 920 L HN 0.175 nan 8.230 nan 0.000 0.433 921 N N -0.532 118.218 118.700 0.084 0.000 2.137 921 N HA -0.176 4.561 4.740 -0.005 0.000 0.190 921 N C 1.750 177.338 175.510 0.130 0.000 1.017 921 N CA 1.434 54.537 53.050 0.088 0.000 0.859 921 N CB -0.145 38.377 38.487 0.058 0.000 1.002 921 N HN 0.411 nan 8.380 nan 0.000 0.428 922 A N 0.298 123.211 122.820 0.155 0.000 1.898 922 A HA -0.018 4.300 4.320 -0.005 0.000 0.214 922 A C 1.969 179.608 177.584 0.091 0.000 1.183 922 A CA 0.709 52.854 52.037 0.181 0.000 0.622 922 A CB -0.319 18.850 19.000 0.283 0.000 0.824 922 A HN 0.160 nan 8.150 nan 0.000 0.444 923 I N -0.206 120.418 120.570 0.090 0.000 2.179 923 I HA -0.203 3.964 4.170 -0.005 0.000 0.242 923 I C 2.448 178.563 176.117 -0.004 0.000 1.088 923 I CA 1.240 62.543 61.300 0.005 0.000 1.357 923 I CB -1.524 36.511 38.000 0.058 0.000 1.051 923 I HN 0.373 nan 8.210 nan 0.000 0.409 924 L N 1.085 122.349 121.223 0.068 0.000 1.970 924 L HA -0.250 4.088 4.340 -0.005 0.000 0.212 924 L C 2.541 179.483 176.870 0.120 0.000 1.071 924 L CA 1.858 56.750 54.840 0.088 0.000 0.751 924 L CB -1.168 40.956 42.059 0.107 0.000 0.889 924 L HN 0.155 nan 8.230 nan 0.000 0.432 925 F N 0.619 120.585 119.950 0.027 0.000 2.154 925 F HA -0.271 4.254 4.527 -0.004 0.000 0.301 925 F C 2.487 178.352 175.800 0.107 0.000 1.087 925 F CA 2.273 60.330 58.000 0.093 0.000 1.274 925 F CB -0.386 38.685 39.000 0.119 0.000 1.009 925 F HN 0.246 nan 8.300 nan 0.000 0.485 926 K N 0.432 120.678 120.400 -0.255 0.000 1.985 926 K HA -0.161 4.156 4.320 -0.005 0.000 0.210 926 K C 2.080 178.538 176.600 -0.236 0.000 1.047 926 K CA 1.999 57.879 56.287 -0.678 0.000 0.932 926 K CB -0.489 31.410 32.500 -1.000 0.000 0.716 926 K HN 0.396 nan 8.250 nan 0.000 0.439 927 L N 0.885 122.028 121.223 -0.134 0.000 2.265 927 L HA -0.140 4.198 4.340 -0.005 0.000 0.215 927 L C 2.336 179.209 176.870 0.006 0.000 1.117 927 L CA 1.086 55.903 54.840 -0.039 0.000 0.782 927 L CB -0.139 41.911 42.059 -0.015 0.000 0.914 927 L HN 0.326 nan 8.230 nan 0.000 0.441 928 Q N -1.703 118.101 119.800 0.006 0.000 2.408 928 Q HA -0.045 4.293 4.340 -0.005 0.000 0.205 928 Q C 1.860 177.859 176.000 -0.002 0.000 0.919 928 Q CA 0.283 56.098 55.803 0.021 0.000 0.932 928 Q CB 0.198 28.974 28.738 0.064 0.000 1.058 928 Q HN 0.407 nan 8.270 nan 0.000 0.517 929 F N 1.889 121.726 119.950 -0.188 0.000 2.075 929 F HA -0.237 4.287 4.527 -0.004 0.000 0.297 929 F C 2.310 178.060 175.800 -0.084 0.000 1.113 929 F CA 1.951 59.822 58.000 -0.215 0.000 1.218 929 F CB -0.208 38.690 39.000 -0.170 0.000 0.984 929 F HN -0.004 nan 8.300 nan 0.000 0.472 930 S N -0.973 114.759 115.700 0.053 0.000 2.547 930 S HA -0.109 4.358 4.470 -0.005 0.000 0.235 930 S C 1.689 176.237 174.600 -0.086 0.000 0.980 930 S CA 0.934 59.117 58.200 -0.028 0.000 0.941 930 S CB -0.527 62.724 63.200 0.084 0.000 0.763 930 S HN 0.606 nan 8.310 nan 0.000 0.532 931 E N 1.682 121.831 120.200 -0.084 0.000 2.042 931 E HA -0.122 4.225 4.350 -0.005 0.000 0.189 931 E C 2.392 178.927 176.600 -0.107 0.000 0.974 931 E CA 1.024 57.382 56.400 -0.070 0.000 0.806 931 E CB -0.120 29.561 29.700 -0.031 0.000 0.769 931 E HN 0.876 nan 8.360 nan 0.000 0.451 932 Q N 0.393 120.104 119.800 -0.148 0.000 2.436 932 Q HA -0.044 4.293 4.340 -0.005 0.000 0.209 932 Q C 1.971 177.851 176.000 -0.201 0.000 0.965 932 Q CA 0.741 56.460 55.803 -0.140 0.000 0.910 932 Q CB -0.028 28.656 28.738 -0.089 0.000 0.980 932 Q HN 0.063 nan 8.270 nan 0.000 0.491 933 V N 1.915 121.639 119.914 -0.316 0.000 2.343 933 V HA -0.221 3.897 4.120 -0.005 0.000 0.247 933 V C 1.593 177.602 176.094 -0.141 0.000 1.051 933 V CA 2.091 64.225 62.300 -0.276 0.000 1.036 933 V CB -0.324 31.295 31.823 -0.340 0.000 0.654 933 V HN 0.426 nan 8.190 nan 0.000 0.451 934 E N -0.356 119.777 120.200 -0.112 0.000 2.494 934 E HA -0.032 4.315 4.350 -0.005 0.000 0.193 934 E C 1.361 177.931 176.600 -0.050 0.000 1.074 934 E CA 0.245 56.606 56.400 -0.066 0.000 0.867 934 E CB -0.051 29.619 29.700 -0.050 0.000 0.924 934 E HN 0.688 nan 8.360 nan 0.000 0.502 935 N N -0.376 118.290 118.700 -0.057 0.000 2.454 935 N HA 0.115 4.852 4.740 -0.005 0.000 0.177 935 N C 1.472 176.964 175.510 -0.031 0.000 1.049 935 N CA 0.232 53.260 53.050 -0.037 0.000 0.887 935 N CB 0.484 38.952 38.487 -0.032 0.000 1.095 935 N HN 0.028 nan 8.380 nan 0.000 0.446 936 I N 0.731 121.276 120.570 -0.041 0.000 2.339 936 I HA -0.104 4.063 4.170 -0.005 0.000 0.245 936 I C 2.249 178.353 176.117 -0.022 0.000 1.096 936 I CA 0.758 62.041 61.300 -0.029 0.000 1.408 936 I CB -0.099 37.879 38.000 -0.036 0.000 1.092 936 I HN 0.048 nan 8.210 nan 0.000 0.423 937 K N 1.996 122.376 120.400 -0.034 0.000 2.001 937 K HA -0.168 4.149 4.320 -0.005 0.000 0.214 937 K C -0.665 175.923 176.600 -0.021 0.000 1.050 937 K CA 2.037 58.307 56.287 -0.028 0.000 0.934 937 K CB -1.184 31.294 32.500 -0.036 0.000 0.718 937 K HN 0.091 nan 8.250 nan 0.000 0.443 938 P HA -0.165 nan 4.420 nan 0.000 0.216 938 P C 0.455 177.749 177.300 -0.010 0.000 1.150 938 P CA 1.526 64.619 63.100 -0.012 0.000 0.837 938 P CB -0.010 31.685 31.700 -0.007 0.000 0.786 939 E N -0.898 119.296 120.200 -0.009 0.000 2.107 939 E HA -0.104 4.244 4.350 -0.005 0.000 0.191 939 E C 2.013 178.607 176.600 -0.009 0.000 0.982 939 E CA 0.749 57.145 56.400 -0.008 0.000 0.809 939 E CB -0.451 29.248 29.700 -0.002 0.000 0.756 939 E HN 0.186 nan 8.360 nan 0.000 0.459 940 I N 1.169 121.739 120.570 -0.000 0.000 2.127 940 I HA -0.231 3.936 4.170 -0.005 0.000 0.241 940 I C 2.543 178.642 176.117 -0.030 0.000 1.075 940 I CA 1.073 62.377 61.300 0.006 0.000 1.334 940 I CB -1.008 37.005 38.000 0.022 0.000 1.040 940 I HN -0.011 nan 8.210 nan 0.000 0.405 941 V N 0.629 120.517 119.914 -0.044 0.000 2.287 941 V HA -0.298 3.819 4.120 -0.005 0.000 0.248 941 V C 2.647 178.660 176.094 -0.135 0.000 1.053 941 V CA 2.074 64.323 62.300 -0.085 0.000 1.027 941 V CB -0.856 30.920 31.823 -0.078 0.000 0.646 941 V HN 0.370 nan 8.190 nan 0.000 0.447 942 S N -0.016 115.630 115.700 -0.090 0.000 2.359 942 S HA -0.217 4.250 4.470 -0.005 0.000 0.222 942 S C 2.002 176.519 174.600 -0.139 0.000 1.038 942 S CA 1.888 60.043 58.200 -0.074 0.000 1.051 942 S CB -0.411 62.787 63.200 -0.004 0.000 0.944 942 S HN 0.397 nan 8.310 nan 0.000 0.433 943 V N 1.561 121.400 119.914 -0.126 0.000 2.343 943 V HA -0.187 3.931 4.120 -0.005 0.000 0.247 943 V C 2.504 178.548 176.094 -0.084 0.000 1.051 943 V CA 2.129 64.337 62.300 -0.153 0.000 1.036 943 V CB -1.538 30.242 31.823 -0.071 0.000 0.654 943 V HN 0.515 nan 8.190 nan 0.000 0.451 944 T N 0.592 115.107 114.554 -0.064 0.000 2.665 944 T HA -0.245 4.102 4.350 -0.005 0.000 0.268 944 T C 2.055 176.722 174.700 -0.054 0.000 1.035 944 T CA 1.939 64.014 62.100 -0.040 0.000 1.151 944 T CB -0.464 68.371 68.868 -0.054 0.000 0.862 944 T HN 0.604 nan 8.240 nan 0.000 0.438 945 A N 1.442 124.177 122.820 -0.141 0.000 1.855 945 A HA 0.230 4.547 4.320 -0.005 0.000 0.215 945 A C 2.706 180.265 177.584 -0.041 0.000 1.191 945 A CA 1.814 53.748 52.037 -0.171 0.000 0.613 945 A CB -1.293 17.397 19.000 -0.516 0.000 0.829 945 A HN 0.502 nan 8.150 nan 0.000 0.442 946 A N -0.780 122.007 122.820 -0.056 0.000 1.917 946 A HA -0.236 4.081 4.320 -0.005 0.000 0.219 946 A C 2.321 180.032 177.584 0.211 0.000 1.182 946 A CA 1.874 53.907 52.037 -0.006 0.000 0.633 946 A CB -1.459 17.298 19.000 -0.405 0.000 0.819 946 A HN 0.624 nan 8.150 nan 0.000 0.448 947 C N -0.775 118.674 119.300 0.249 0.000 2.398 947 C HA -0.142 4.315 4.460 -0.005 0.000 0.276 947 C C 2.667 177.796 174.990 0.231 0.000 1.222 947 C CA 1.380 60.621 59.018 0.372 0.000 1.746 947 C CB -1.385 26.537 27.740 0.303 0.000 2.039 947 C HN 0.698 nan 8.230 nan 0.000 0.470 948 E N 0.139 120.417 120.200 0.130 0.000 2.152 948 E HA -0.165 4.182 4.350 -0.005 0.000 0.192 948 E C 2.065 178.732 176.600 0.111 0.000 0.983 948 E CA 0.862 57.313 56.400 0.085 0.000 0.818 948 E CB -0.156 29.565 29.700 0.034 0.000 0.758 948 E HN 0.673 nan 8.360 nan 0.000 0.467 949 E N 0.563 120.844 120.200 0.136 0.000 2.107 949 E HA -0.121 4.226 4.350 -0.005 0.000 0.191 949 E C 2.075 178.789 176.600 0.190 0.000 0.982 949 E CA 0.394 56.884 56.400 0.149 0.000 0.809 949 E CB 0.078 29.868 29.700 0.150 0.000 0.756 949 E HN 0.160 nan 8.360 nan 0.000 0.459 950 L N 0.892 122.266 121.223 0.252 0.000 2.072 950 L HA -0.118 4.219 4.340 -0.005 0.000 0.205 950 L C 2.461 179.561 176.870 0.384 0.000 1.079 950 L CA 1.431 56.450 54.840 0.298 0.000 0.752 950 L CB -0.294 42.008 42.059 0.404 0.000 0.906 950 L HN 0.029 nan 8.230 nan 0.000 0.436 951 R N 0.419 121.099 120.500 0.300 0.000 2.096 951 R HA -0.169 4.168 4.340 -0.005 0.000 0.235 951 R C 2.244 178.617 176.300 0.122 0.000 1.127 951 R CA 1.604 57.802 56.100 0.164 0.000 0.968 951 R CB -0.098 30.202 30.300 -0.000 0.000 0.861 951 R HN 0.261 nan 8.270 nan 0.000 0.440 952 K N -0.505 119.972 120.400 0.129 0.000 2.167 952 K HA 0.046 4.363 4.320 -0.005 0.000 0.203 952 K C 0.369 177.057 176.600 0.147 0.000 1.052 952 K CA 0.754 57.103 56.287 0.104 0.000 0.956 952 K CB 0.099 32.651 32.500 0.085 0.000 0.735 952 K HN 0.047 nan 8.250 nan 0.000 0.451 953 S N 2.212 118.036 115.700 0.206 0.000 2.443 953 S HA -0.013 4.455 4.470 -0.005 0.000 0.284 953 S C 0.969 175.721 174.600 0.253 0.000 1.206 953 S CA -0.460 57.878 58.200 0.229 0.000 1.074 953 S CB 0.459 63.822 63.200 0.270 0.000 0.963 953 S HN 0.269 nan 8.310 nan 0.000 0.501 954 E N 4.531 124.842 120.200 0.185 0.000 2.478 954 E HA -0.057 4.290 4.350 -0.005 0.000 0.194 954 E C 0.508 177.185 176.600 0.129 0.000 1.045 954 E CA 0.173 56.666 56.400 0.155 0.000 0.868 954 E CB -0.213 29.554 29.700 0.112 0.000 0.885 954 E HN 0.630 nan 8.360 nan 0.000 0.505 955 N N 0.785 119.581 118.700 0.161 0.000 2.216 955 N HA -0.080 4.658 4.740 -0.005 0.000 0.183 955 N C 1.467 177.013 175.510 0.060 0.000 1.017 955 N CA 0.763 53.898 53.050 0.142 0.000 0.861 955 N CB -0.472 38.145 38.487 0.217 0.000 0.986 955 N HN 0.194 nan 8.380 nan 0.000 0.428 956 F N 1.860 121.752 119.950 -0.096 0.000 2.146 956 F HA -0.075 4.449 4.527 -0.004 0.000 0.298 956 F C 2.628 178.334 175.800 -0.156 0.000 1.096 956 F CA 1.087 58.885 58.000 -0.337 0.000 1.275 956 F CB -0.617 38.259 39.000 -0.207 0.000 1.008 956 F HN -0.059 nan 8.300 nan 0.000 0.480 957 S N -0.614 115.057 115.700 -0.047 0.000 2.359 957 S HA -0.222 4.245 4.470 -0.005 0.000 0.224 957 S C 2.305 176.814 174.600 -0.151 0.000 1.035 957 S CA 1.985 60.140 58.200 -0.075 0.000 1.018 957 S CB -0.842 62.424 63.200 0.110 0.000 0.876 957 S HN 0.462 nan 8.310 nan 0.000 0.448 958 S N 1.079 116.721 115.700 -0.098 0.000 2.399 958 S HA 0.059 4.527 4.470 -0.005 0.000 0.231 958 S C 1.711 176.220 174.600 -0.152 0.000 1.022 958 S CA 1.038 59.176 58.200 -0.103 0.000 0.983 958 S CB -0.459 62.709 63.200 -0.053 0.000 0.803 958 S HN 0.515 nan 8.310 nan 0.000 0.480 959 L N 0.994 122.085 121.223 -0.219 0.000 2.072 959 L HA -0.043 4.294 4.340 -0.005 0.000 0.205 959 L C 1.971 178.740 176.870 -0.169 0.000 1.079 959 L CA 1.245 55.969 54.840 -0.193 0.000 0.752 959 L CB -0.368 41.507 42.059 -0.307 0.000 0.906 959 L HN 0.345 nan 8.230 nan 0.000 0.436 960 L N -0.378 120.655 121.223 -0.316 0.000 2.017 960 L HA -0.254 4.084 4.340 -0.005 0.000 0.208 960 L C 2.529 179.367 176.870 -0.053 0.000 1.073 960 L CA 1.415 56.132 54.840 -0.205 0.000 0.745 960 L CB -0.600 41.203 42.059 -0.426 0.000 0.894 960 L HN 0.294 nan 8.230 nan 0.000 0.432 961 E N 0.030 120.171 120.200 -0.097 0.000 2.033 961 E HA -0.292 4.055 4.350 -0.005 0.000 0.199 961 E C 2.138 178.730 176.600 -0.014 0.000 1.011 961 E CA 1.464 57.834 56.400 -0.051 0.000 0.815 961 E CB -0.351 29.308 29.700 -0.068 0.000 0.755 961 E HN 0.221 nan 8.360 nan 0.000 0.451 962 L N 1.286 122.485 121.223 -0.041 0.000 2.043 962 L HA -0.193 4.145 4.340 -0.005 0.000 0.212 962 L C 2.246 179.152 176.870 0.060 0.000 1.075 962 L CA 2.035 56.868 54.840 -0.012 0.000 0.752 962 L CB -0.893 41.138 42.059 -0.046 0.000 0.891 962 L HN 0.093 nan 8.230 nan 0.000 0.432 963 T N -0.551 114.056 114.554 0.087 0.000 2.777 963 T HA -0.157 4.190 4.350 -0.005 0.000 0.266 963 T C 1.793 176.548 174.700 0.092 0.000 1.040 963 T CA 1.405 63.567 62.100 0.103 0.000 1.141 963 T CB -0.372 68.576 68.868 0.133 0.000 0.868 963 T HN 0.268 nan 8.240 nan 0.000 0.444 964 L N 1.173 122.522 121.223 0.210 0.000 2.046 964 L HA 0.083 4.420 4.340 -0.005 0.000 0.208 964 L C 2.139 179.053 176.870 0.073 0.000 1.077 964 L CA 1.371 56.335 54.840 0.207 0.000 0.747 964 L CB -0.932 41.261 42.059 0.223 0.000 0.896 964 L HN 0.179 nan 8.230 nan 0.000 0.432 965 L N -1.263 119.993 121.223 0.054 0.000 1.994 965 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 965 L C 2.394 179.300 176.870 0.059 0.000 1.071 965 L CA 1.980 56.843 54.840 0.039 0.000 0.745 965 L CB -0.813 41.263 42.059 0.028 0.000 0.892 965 L HN 0.091 nan 8.230 nan 0.000 0.431 966 V N 0.437 120.391 119.914 0.067 0.000 2.287 966 V HA -0.274 3.844 4.120 -0.005 0.000 0.248 966 V C 2.652 178.778 176.094 0.052 0.000 1.053 966 V CA 1.957 64.300 62.300 0.072 0.000 1.027 966 V CB -1.795 30.086 31.823 0.096 0.000 0.646 966 V HN 0.674 nan 8.190 nan 0.000 0.447 967 G N 0.076 108.879 108.800 0.006 0.000 2.476 967 G HA2 -0.313 3.645 3.960 -0.005 0.000 0.218 967 G HA3 -0.313 3.645 3.960 -0.005 0.000 0.218 967 G C 1.436 176.319 174.900 -0.029 0.000 1.164 967 G CA 1.119 46.188 45.100 -0.052 0.000 0.768 967 G HN 0.517 nan 8.290 nan 0.000 0.560 968 N N -0.572 118.128 118.700 0.001 0.000 2.223 968 N HA -0.096 4.641 4.740 -0.005 0.000 0.185 968 N C 1.767 177.289 175.510 0.020 0.000 1.016 968 N CA 0.884 53.928 53.050 -0.009 0.000 0.863 968 N CB -0.398 38.077 38.487 -0.020 0.000 0.983 968 N HN 0.498 nan 8.380 nan 0.000 0.429 969 Y N 0.972 121.240 120.300 -0.053 0.000 2.263 969 Y HA 0.026 4.573 4.550 -0.005 0.000 0.292 969 Y C 2.246 178.112 175.900 -0.055 0.000 1.130 969 Y CA 1.273 59.344 58.100 -0.047 0.000 1.179 969 Y CB -0.072 38.367 38.460 -0.035 0.000 0.998 969 Y HN -0.031 nan 8.280 nan 0.000 0.532 970 M N -0.126 119.473 119.600 -0.001 0.000 2.175 970 M HA -0.206 4.271 4.480 -0.005 0.000 0.264 970 M C 1.241 177.462 176.300 -0.132 0.000 1.063 970 M CA 1.256 56.510 55.300 -0.078 0.000 1.119 970 M CB -0.330 32.250 32.600 -0.034 0.000 1.377 970 M HN 0.174 nan 8.290 nan 0.000 0.415 971 N N 0.778 119.410 118.700 -0.113 0.000 2.609 971 N HA 0.040 4.778 4.740 -0.005 0.000 0.190 971 N C 1.136 176.569 175.510 -0.129 0.000 1.157 971 N CA 0.849 53.834 53.050 -0.109 0.000 0.918 971 N CB -0.231 38.199 38.487 -0.095 0.000 0.978 971 N HN 0.389 nan 8.380 nan 0.000 0.448 972 A N 0.461 123.166 122.820 -0.192 0.000 5.101 972 A HA -0.274 4.043 4.320 -0.005 0.000 0.360 972 A C 1.349 178.847 177.584 -0.143 0.000 1.612 972 A CA 2.137 54.046 52.037 -0.213 0.000 0.689 972 A CB -1.622 17.266 19.000 -0.187 0.000 1.522 972 A HN 0.468 nan 8.150 nan 0.000 0.416 973 G N -1.547 107.189 108.800 -0.106 0.000 4.683 973 G HA2 0.586 4.543 3.960 -0.005 0.000 0.273 973 G HA3 0.586 4.543 3.960 -0.005 0.000 0.273 973 G C 0.210 175.074 174.900 -0.061 0.000 1.065 973 G CA 1.470 46.524 45.100 -0.076 0.000 0.837 973 G HN 1.644 nan 8.290 nan 0.000 0.526 974 S N -0.377 115.285 115.700 -0.064 0.000 2.481 974 S HA 0.328 4.796 4.470 -0.005 0.000 0.267 974 S C 1.680 176.254 174.600 -0.044 0.000 1.174 974 S CA -0.274 57.894 58.200 -0.052 0.000 1.027 974 S CB 0.933 64.099 63.200 -0.058 0.000 1.117 974 S HN 0.252 nan 8.310 nan 0.000 0.495 975 R N 0.830 121.307 120.500 -0.039 0.000 2.148 975 R HA 0.020 4.357 4.340 -0.005 0.000 0.223 975 R C 0.372 176.650 176.300 -0.036 0.000 1.088 975 R CA 0.950 57.031 56.100 -0.032 0.000 0.985 975 R CB -0.582 29.702 30.300 -0.027 0.000 0.880 975 R HN 0.695 nan 8.270 nan 0.000 0.451 976 N N -0.202 118.468 118.700 -0.051 0.000 2.562 976 N HA 0.462 5.200 4.740 -0.005 0.000 0.299 976 N C -0.976 174.499 175.510 -0.059 0.000 1.344 976 N CA 0.181 53.196 53.050 -0.058 0.000 0.914 976 N CB 0.422 38.858 38.487 -0.084 0.000 1.101 976 N HN 0.324 nan 8.380 nan 0.000 0.527 977 A N -1.456 121.322 122.820 -0.069 0.000 2.435 977 A HA 0.351 4.668 4.320 -0.005 0.000 0.686 977 A C 0.793 178.330 177.584 -0.077 0.000 0.138 977 A CA 0.171 52.163 52.037 -0.075 0.000 0.024 977 A CB -1.846 17.108 19.000 -0.077 0.000 3.974 977 A HN 1.689 nan 8.150 nan 0.000 0.548 978 G N -0.311 108.423 108.800 -0.109 0.000 2.198 978 G HA2 0.264 4.222 3.960 -0.005 0.000 0.260 978 G HA3 0.264 4.222 3.960 -0.005 0.000 0.260 978 G C 1.036 175.805 174.900 -0.219 0.000 1.025 978 G CA 1.214 46.210 45.100 -0.173 0.000 0.769 978 G HN 2.714 nan 8.290 nan 0.000 0.507 979 A N -0.888 121.840 122.820 -0.155 0.000 2.401 979 A HA 0.733 5.050 4.320 -0.005 0.000 0.259 979 A C 0.707 178.186 177.584 -0.174 0.000 1.103 979 A CA 0.054 52.044 52.037 -0.078 0.000 0.789 979 A CB 0.330 19.325 19.000 -0.009 0.000 1.035 979 A HN 0.550 nan 8.150 nan 0.000 0.491 980 F N 1.457 121.402 119.950 -0.009 0.000 2.797 980 F HA 0.368 4.893 4.527 -0.005 0.000 0.302 980 F C 1.539 177.305 175.800 -0.057 0.000 1.130 980 F CA 1.296 59.278 58.000 -0.030 0.000 1.387 980 F CB 0.322 39.297 39.000 -0.042 0.000 1.107 980 F HN 0.861 nan 8.300 nan 0.000 0.577 981 G N -0.459 108.392 108.800 0.085 0.000 2.323 981 G HA2 0.415 4.372 3.960 -0.005 0.000 0.291 981 G HA3 0.415 4.372 3.960 -0.005 0.000 0.291 981 G C -1.908 173.027 174.900 0.057 0.000 1.278 981 G CA -0.573 44.491 45.100 -0.059 0.000 0.860 981 G HN 0.034 nan 8.290 nan 0.000 0.504 982 F N -1.535 118.392 119.950 -0.039 0.000 2.703 982 F HA 0.624 5.148 4.527 -0.005 0.000 0.308 982 F C -0.758 175.033 175.800 -0.016 0.000 1.126 982 F CA -1.420 56.533 58.000 -0.079 0.000 0.959 982 F CB 1.215 40.107 39.000 -0.179 0.000 1.297 982 F HN 0.544 nan 8.300 nan 0.000 0.441 983 N N 1.294 120.105 118.700 0.185 0.000 2.492 983 N HA 0.140 4.878 4.740 -0.005 0.000 0.262 983 N C 0.777 176.410 175.510 0.204 0.000 1.202 983 N CA -0.018 53.126 53.050 0.157 0.000 0.926 983 N CB 0.973 39.555 38.487 0.157 0.000 1.078 983 N HN 0.709 nan 8.380 nan 0.000 0.454 984 I N 2.070 122.693 120.570 0.087 0.000 2.614 984 I HA -0.243 3.925 4.170 -0.005 0.000 0.258 984 I C 2.387 178.486 176.117 -0.029 0.000 1.189 984 I CA 0.653 61.955 61.300 0.003 0.000 1.462 984 I CB -0.582 37.386 38.000 -0.053 0.000 1.092 984 I HN 0.557 nan 8.210 nan 0.000 0.442 985 S N 0.649 116.352 115.700 0.006 0.000 2.402 985 S HA -0.197 4.271 4.470 -0.005 0.000 0.229 985 S C 1.973 176.579 174.600 0.009 0.000 1.021 985 S CA 0.597 58.779 58.200 -0.029 0.000 0.974 985 S CB -1.261 61.946 63.200 0.011 0.000 0.800 985 S HN 0.442 nan 8.310 nan 0.000 0.484 986 F N 2.410 122.346 119.950 -0.022 0.000 2.529 986 F HA 0.081 4.606 4.527 -0.004 0.000 0.297 986 F C 1.666 177.391 175.800 -0.125 0.000 1.114 986 F CA 0.383 58.359 58.000 -0.040 0.000 1.467 986 F CB -0.401 38.600 39.000 0.001 0.000 1.096 986 F HN 0.153 nan 8.300 nan 0.000 0.586 987 L N -1.245 119.875 121.223 -0.171 0.000 2.079 987 L HA -0.314 4.023 4.340 -0.005 0.000 0.210 987 L C 2.391 179.054 176.870 -0.344 0.000 1.081 987 L CA 1.235 55.765 54.840 -0.517 0.000 0.752 987 L CB -0.969 40.415 42.059 -1.125 0.000 0.896 987 L HN 0.219 nan 8.230 nan 0.000 0.433 988 C N -0.521 118.672 119.300 -0.178 0.000 2.456 988 C HA -0.055 4.402 4.460 -0.005 0.000 0.279 988 C C 2.406 177.285 174.990 -0.185 0.000 1.427 988 C CA 0.130 59.131 59.018 -0.028 0.000 1.778 988 C CB -0.773 26.960 27.740 -0.012 0.000 1.842 988 C HN 0.367 nan 8.230 nan 0.000 0.531 989 K N 0.817 120.932 120.400 -0.474 0.000 2.426 989 K HA 0.171 4.488 4.320 -0.005 0.000 0.193 989 K C 1.632 177.861 176.600 -0.620 0.000 1.028 989 K CA 0.327 56.187 56.287 -0.713 0.000 1.047 989 K CB -0.113 31.504 32.500 -1.471 0.000 0.821 989 K HN 0.539 nan 8.250 nan 0.000 0.513 990 L N 0.513 121.497 121.223 -0.397 0.000 2.017 990 L HA -0.123 4.214 4.340 -0.005 0.000 0.208 990 L C 2.704 179.526 176.870 -0.079 0.000 1.073 990 L CA 1.185 55.935 54.840 -0.151 0.000 0.745 990 L CB -0.382 41.678 42.059 0.002 0.000 0.894 990 L HN 0.152 nan 8.230 nan 0.000 0.432 991 R N 0.358 120.816 120.500 -0.069 0.000 2.154 991 R HA -0.230 4.107 4.340 -0.005 0.000 0.248 991 R C 1.578 177.837 176.300 -0.070 0.000 1.155 991 R CA 2.065 58.116 56.100 -0.081 0.000 0.979 991 R CB -0.222 30.030 30.300 -0.079 0.000 0.869 991 R HN 0.368 nan 8.270 nan 0.000 0.452 992 D N -0.562 119.783 120.400 -0.093 0.000 2.263 992 D HA -0.061 4.577 4.640 -0.005 0.000 0.208 992 D C 0.042 176.322 176.300 -0.034 0.000 0.971 992 D CA 1.070 55.029 54.000 -0.069 0.000 0.867 992 D CB 0.101 40.840 40.800 -0.101 0.000 0.929 992 D HN 0.120 nan 8.370 nan 0.000 0.492 993 T N 2.352 116.890 114.554 -0.027 0.000 2.738 993 T HA 0.303 4.651 4.350 -0.005 0.000 0.298 993 T C 0.264 174.966 174.700 0.003 0.000 0.962 993 T CA -0.712 61.387 62.100 -0.003 0.000 0.972 993 T CB 1.040 69.915 68.868 0.012 0.000 0.928 993 T HN 0.035 nan 8.240 nan 0.000 0.474 994 K N 0.784 121.189 120.400 0.009 0.000 2.346 994 K HA 0.648 4.966 4.320 -0.005 0.000 0.238 994 K C 0.059 176.668 176.600 0.015 0.000 1.039 994 K CA -0.847 55.455 56.287 0.026 0.000 0.861 994 K CB 0.948 33.472 32.500 0.040 0.000 1.278 994 K HN 0.512 nan 8.250 nan 0.000 0.460 995 S N -0.552 115.165 115.700 0.028 0.000 2.589 995 S HA 0.197 4.664 4.470 -0.005 0.000 0.265 995 S C 1.432 176.039 174.600 0.013 0.000 1.342 995 S CA -0.044 58.166 58.200 0.017 0.000 1.005 995 S CB 0.641 63.861 63.200 0.033 0.000 0.909 995 S HN 0.754 nan 8.310 nan 0.000 0.555 996 A N 1.222 124.046 122.820 0.007 0.000 1.940 996 A HA -0.141 4.176 4.320 -0.005 0.000 0.219 996 A C 1.733 179.322 177.584 0.009 0.000 1.176 996 A CA 1.638 53.679 52.037 0.006 0.000 0.631 996 A CB -0.975 18.027 19.000 0.003 0.000 0.814 996 A HN 0.968 nan 8.150 nan 0.000 0.446 997 D N -1.424 118.983 120.400 0.013 0.000 2.319 997 D HA -0.021 4.616 4.640 -0.005 0.000 0.230 997 D C -0.090 176.219 176.300 0.015 0.000 1.094 997 D CA 0.556 54.563 54.000 0.012 0.000 0.856 997 D CB -0.251 40.556 40.800 0.012 0.000 0.915 997 D HN 0.363 nan 8.370 nan 0.000 0.517 998 Q N -0.287 119.525 119.800 0.019 0.000 2.377 998 Q HA -0.251 4.086 4.340 -0.005 0.000 0.234 998 Q C 0.800 176.818 176.000 0.029 0.000 0.847 998 Q CA 1.158 56.976 55.803 0.025 0.000 1.280 998 Q CB -2.115 26.634 28.738 0.018 0.000 1.717 998 Q HN 0.504 nan 8.270 nan 0.000 0.579 999 K N -0.218 120.198 120.400 0.026 0.000 2.242 999 K HA 0.188 4.505 4.320 -0.005 0.000 0.200 999 K C 1.275 177.886 176.600 0.017 0.000 1.050 999 K CA 1.090 57.384 56.287 0.012 0.000 0.981 999 K CB 0.337 32.838 32.500 0.001 0.000 0.795 999 K HN 0.450 nan 8.250 nan 0.000 0.477 1000 M N -0.288 119.349 119.600 0.061 0.000 2.501 1000 M HA 0.318 4.795 4.480 -0.005 0.000 0.293 1000 M C -0.428 175.986 176.300 0.190 0.000 1.192 1000 M CA -0.742 54.637 55.300 0.132 0.000 0.886 1000 M CB 2.244 34.907 32.600 0.105 0.000 1.710 1000 M HN -0.075 nan 8.290 nan 0.000 0.457 1001 T N -0.148 114.597 114.554 0.317 0.000 2.910 1001 T HA 0.447 4.795 4.350 -0.005 0.000 0.279 1001 T C 0.748 175.530 174.700 0.137 0.000 0.989 1001 T CA -0.989 61.203 62.100 0.153 0.000 0.968 1001 T CB 1.081 69.968 68.868 0.031 0.000 1.135 1001 T HN 0.873 nan 8.240 nan 0.000 0.562 1002 L N -0.064 121.199 121.223 0.068 0.000 2.109 1002 L HA 0.117 4.454 4.340 -0.005 0.000 0.207 1002 L C 2.583 179.544 176.870 0.151 0.000 1.086 1002 L CA 0.809 55.706 54.840 0.095 0.000 0.760 1002 L CB -0.378 41.706 42.059 0.041 0.000 0.910 1002 L HN 0.660 nan 8.230 nan 0.000 0.437 1003 L N -0.853 120.400 121.223 0.050 0.000 2.083 1003 L HA -0.290 4.047 4.340 -0.005 0.000 0.209 1003 L C 2.331 179.200 176.870 -0.002 0.000 1.083 1003 L CA 1.645 56.506 54.840 0.036 0.000 0.752 1003 L CB -0.417 41.601 42.059 -0.068 0.000 0.899 1003 L HN 0.417 nan 8.230 nan 0.000 0.433 1004 H N -2.046 117.067 119.070 0.072 0.000 2.389 1004 H HA -0.229 4.324 4.556 -0.005 0.000 0.299 1004 H C 1.868 177.235 175.328 0.064 0.000 1.081 1004 H CA 1.763 57.827 56.048 0.026 0.000 1.345 1004 H CB -0.016 29.765 29.762 0.031 0.000 1.393 1004 H HN 0.293 nan 8.280 nan 0.000 0.520 1005 F N 0.911 120.932 119.950 0.119 0.000 2.075 1005 F HA -0.174 4.350 4.527 -0.005 0.000 0.297 1005 F C 1.972 177.821 175.800 0.082 0.000 1.113 1005 F CA 1.173 59.224 58.000 0.084 0.000 1.218 1005 F CB -0.329 38.715 39.000 0.073 0.000 0.984 1005 F HN 0.000 nan 8.300 nan 0.000 0.472 1006 L N -0.218 121.169 121.223 0.275 0.000 2.083 1006 L HA -0.208 4.129 4.340 -0.005 0.000 0.209 1006 L C 2.732 179.686 176.870 0.139 0.000 1.083 1006 L CA 1.192 56.169 54.840 0.229 0.000 0.752 1006 L CB -1.010 41.241 42.059 0.321 0.000 0.899 1006 L HN 0.262 nan 8.230 nan 0.000 0.433 1007 A N -0.448 122.380 122.820 0.013 0.000 1.858 1007 A HA -0.277 4.041 4.320 -0.005 0.000 0.216 1007 A C 2.262 179.799 177.584 -0.079 0.000 1.190 1007 A CA 1.921 53.855 52.037 -0.172 0.000 0.617 1007 A CB -0.599 18.157 19.000 -0.406 0.000 0.827 1007 A HN 0.439 nan 8.150 nan 0.000 0.443 1008 E N -0.941 119.196 120.200 -0.103 0.000 2.153 1008 E HA -0.184 4.163 4.350 -0.005 0.000 0.194 1008 E C 1.775 178.283 176.600 -0.153 0.000 0.988 1008 E CA 1.087 57.409 56.400 -0.130 0.000 0.811 1008 E CB -0.122 29.483 29.700 -0.158 0.000 0.746 1008 E HN 0.437 nan 8.360 nan 0.000 0.466 1009 L N -0.144 120.956 121.223 -0.205 0.000 2.291 1009 L HA -0.083 4.254 4.340 -0.005 0.000 0.214 1009 L C 1.880 178.783 176.870 0.056 0.000 1.120 1009 L CA 1.127 55.878 54.840 -0.149 0.000 0.799 1009 L CB -0.085 41.847 42.059 -0.212 0.000 0.925 1009 L HN 0.256 nan 8.230 nan 0.000 0.446 1010 C N -1.374 117.993 119.300 0.111 0.000 2.504 1010 C HA 0.007 4.464 4.460 -0.005 0.000 0.279 1010 C C 2.559 177.627 174.990 0.130 0.000 1.358 1010 C CA 0.145 59.287 59.018 0.206 0.000 1.747 1010 C CB -0.338 27.591 27.740 0.315 0.000 2.037 1010 C HN 0.561 nan 8.230 nan 0.000 0.503 1011 E N 1.397 121.632 120.200 0.058 0.000 2.072 1011 E HA -0.165 4.182 4.350 -0.005 0.000 0.191 1011 E C 1.645 178.242 176.600 -0.004 0.000 0.985 1011 E CA 1.203 57.615 56.400 0.021 0.000 0.801 1011 E CB 0.100 29.788 29.700 -0.020 0.000 0.750 1011 E HN 0.574 nan 8.360 nan 0.000 0.452 1012 N N 0.353 119.033 118.700 -0.033 0.000 2.176 1012 N HA -0.065 4.672 4.740 -0.005 0.000 0.187 1012 N C 1.012 176.469 175.510 -0.087 0.000 1.043 1012 N CA 1.412 54.427 53.050 -0.059 0.000 0.851 1012 N CB -0.194 38.245 38.487 -0.079 0.000 1.018 1012 N HN 0.081 nan 8.380 nan 0.000 0.436 1013 D N -0.979 119.340 120.400 -0.134 0.000 2.355 1013 D HA 0.071 4.708 4.640 -0.005 0.000 0.206 1013 D C -0.158 175.784 176.300 -0.596 0.000 1.010 1013 D CA 0.694 54.488 54.000 -0.342 0.000 0.875 1013 D CB 0.268 40.834 40.800 -0.390 0.000 0.966 1013 D HN 0.352 nan 8.370 nan 0.000 0.512 1014 H N -0.725 118.365 119.070 0.034 0.000 2.429 1014 H HA 0.190 4.743 4.556 -0.005 0.000 0.231 1014 H C -2.027 173.347 175.328 0.077 0.000 1.416 1014 H CA -1.272 54.809 56.048 0.055 0.000 1.443 1014 H CB 1.299 31.099 29.762 0.064 0.000 1.591 1014 H HN 0.005 nan 8.280 nan 0.000 0.507 1015 P HA -0.170 nan 4.420 nan 0.000 0.219 1015 P C 1.595 178.978 177.300 0.139 0.000 1.146 1015 P CA 1.059 64.226 63.100 0.112 0.000 0.808 1015 P CB 0.509 32.247 31.700 0.063 0.000 0.779 1016 E N -0.165 120.121 120.200 0.143 0.000 2.114 1016 E HA -0.153 4.194 4.350 -0.005 0.000 0.199 1016 E C 2.036 178.742 176.600 0.176 0.000 1.008 1016 E CA 1.209 57.694 56.400 0.141 0.000 0.810 1016 E CB -1.551 28.229 29.700 0.134 0.000 0.739 1016 E HN 0.155 nan 8.360 nan 0.000 0.456 1017 V N 2.241 122.281 119.914 0.210 0.000 2.332 1017 V HA -0.242 3.875 4.120 -0.005 0.000 0.248 1017 V C 2.510 178.818 176.094 0.356 0.000 1.055 1017 V CA 1.568 64.021 62.300 0.254 0.000 1.038 1017 V CB -0.635 31.340 31.823 0.252 0.000 0.651 1017 V HN 0.239 nan 8.190 nan 0.000 0.450 1018 L N -0.394 121.021 121.223 0.319 0.000 2.651 1018 L HA -0.155 4.183 4.340 -0.005 0.000 0.236 1018 L C 2.125 179.085 176.870 0.150 0.000 1.173 1018 L CA 1.194 56.218 54.840 0.307 0.000 0.843 1018 L CB -0.708 41.489 42.059 0.232 0.000 0.964 1018 L HN 0.389 nan 8.230 nan 0.000 0.454 1019 K N -0.113 120.382 120.400 0.158 0.000 2.426 1019 K HA -0.041 4.277 4.320 -0.005 0.000 0.193 1019 K C 1.867 178.514 176.600 0.079 0.000 1.028 1019 K CA 0.437 56.779 56.287 0.092 0.000 1.047 1019 K CB 0.061 32.624 32.500 0.105 0.000 0.821 1019 K HN 0.290 nan 8.250 nan 0.000 0.513 1020 F N 1.401 121.371 119.950 0.033 0.000 2.186 1020 F HA 0.034 4.559 4.527 -0.003 0.000 0.299 1020 F C -1.258 174.531 175.800 -0.018 0.000 1.090 1020 F CA 0.057 58.069 58.000 0.021 0.000 1.307 1020 F CB -1.497 37.531 39.000 0.047 0.000 1.019 1020 F HN -0.101 nan 8.300 nan 0.000 0.489 1021 P HA -0.083 nan 4.420 nan 0.000 0.225 1021 P C 0.619 177.776 177.300 -0.239 0.000 1.148 1021 P CA 1.522 64.253 63.100 -0.615 0.000 0.779 1021 P CB -0.053 31.292 31.700 -0.592 0.000 0.780 1022 D N -0.929 119.383 120.400 -0.146 0.000 2.271 1022 D HA -0.040 4.597 4.640 -0.005 0.000 0.206 1022 D C 1.643 177.942 176.300 -0.002 0.000 0.967 1022 D CA 0.678 54.643 54.000 -0.058 0.000 0.867 1022 D CB -0.310 40.471 40.800 -0.032 0.000 0.960 1022 D HN 0.264 nan 8.370 nan 0.000 0.509 1023 E N -0.017 120.207 120.200 0.040 0.000 2.347 1023 E HA 0.024 4.371 4.350 -0.005 0.000 0.196 1023 E C 0.501 177.157 176.600 0.094 0.000 1.008 1023 E CA 0.355 56.811 56.400 0.092 0.000 0.852 1023 E CB 0.245 30.038 29.700 0.156 0.000 0.783 1023 E HN 0.225 nan 8.360 nan 0.000 0.505 1024 L N 0.458 121.719 121.223 0.063 0.000 2.956 1024 L HA 0.333 4.671 4.340 -0.005 0.000 0.232 1024 L C 1.110 178.001 176.870 0.034 0.000 1.291 1024 L CA -0.486 54.397 54.840 0.070 0.000 1.122 1024 L CB 0.600 42.701 42.059 0.071 0.000 1.461 1024 L HN 0.053 nan 8.230 nan 0.000 0.470 1025 A N -0.867 121.968 122.820 0.025 0.000 1.929 1025 A HA -0.139 4.179 4.320 -0.005 0.000 0.216 1025 A C 1.640 179.130 177.584 -0.157 0.000 1.176 1025 A CA 1.211 53.204 52.037 -0.073 0.000 0.628 1025 A CB -0.394 18.544 19.000 -0.104 0.000 0.816 1025 A HN 0.624 nan 8.150 nan 0.000 0.444 1026 H N -1.510 117.549 119.070 -0.018 0.000 2.526 1026 H HA 0.251 4.805 4.556 -0.004 0.000 0.274 1026 H C 1.568 176.829 175.328 -0.111 0.000 0.999 1026 H CA 0.372 56.385 56.048 -0.059 0.000 1.157 1026 H CB 0.354 30.074 29.762 -0.070 0.000 1.407 1026 H HN 0.238 nan 8.280 nan 0.000 0.568 1027 V N 0.229 120.157 119.914 0.025 0.000 2.358 1027 V HA -0.223 3.895 4.120 -0.005 0.000 0.246 1027 V C 2.353 178.478 176.094 0.052 0.000 1.047 1027 V CA 1.989 64.303 62.300 0.023 0.000 1.035 1027 V CB -0.103 31.826 31.823 0.178 0.000 0.658 1027 V HN 0.536 nan 8.190 nan 0.000 0.452 1028 E N 0.371 120.632 120.200 0.102 0.000 2.038 1028 E HA -0.281 4.066 4.350 -0.005 0.000 0.195 1028 E C 2.208 178.760 176.600 -0.080 0.000 1.000 1028 E CA 1.592 58.014 56.400 0.037 0.000 0.803 1028 E CB -0.091 29.667 29.700 0.096 0.000 0.750 1028 E HN 0.517 nan 8.360 nan 0.000 0.448 1029 K N -0.429 119.938 120.400 -0.056 0.000 2.283 1029 K HA -0.071 4.246 4.320 -0.005 0.000 0.202 1029 K C 1.816 178.376 176.600 -0.066 0.000 1.048 1029 K CA 0.774 57.032 56.287 -0.049 0.000 0.948 1029 K CB 0.061 32.559 32.500 -0.004 0.000 0.742 1029 K HN 0.160 nan 8.250 nan 0.000 0.458 1030 A N 0.777 123.523 122.820 -0.123 0.000 1.975 1030 A HA -0.082 4.235 4.320 -0.005 0.000 0.215 1030 A C 2.033 179.589 177.584 -0.047 0.000 1.170 1030 A CA 1.279 53.199 52.037 -0.195 0.000 0.656 1030 A CB -0.347 18.272 19.000 -0.635 0.000 0.821 1030 A HN 0.324 nan 8.150 nan 0.000 0.449 1031 S N -0.178 115.516 115.700 -0.009 0.000 2.469 1031 S HA -0.114 4.353 4.470 -0.005 0.000 0.238 1031 S C 1.648 176.240 174.600 -0.014 0.000 0.998 1031 S CA 1.227 59.447 58.200 0.034 0.000 0.957 1031 S CB -0.333 62.823 63.200 -0.073 0.000 0.764 1031 S HN 0.589 nan 8.310 nan 0.000 0.514 1032 R N 0.347 120.822 120.500 -0.041 0.000 2.362 1032 R HA 0.340 4.677 4.340 -0.005 0.000 0.227 1032 R C -0.114 176.178 176.300 -0.013 0.000 0.905 1032 R CA -0.088 55.991 56.100 -0.036 0.000 1.067 1032 R CB 0.513 30.780 30.300 -0.055 0.000 1.078 1032 R HN 0.301 nan 8.270 nan 0.000 0.516 1033 V N -0.043 119.869 119.914 -0.004 0.000 3.441 1033 V HA 0.148 4.265 4.120 -0.005 0.000 0.300 1033 V C 0.459 176.562 176.094 0.016 0.000 1.062 1033 V CA -0.470 61.832 62.300 0.003 0.000 1.064 1033 V CB 1.698 33.519 31.823 -0.003 0.000 1.197 1033 V HN -0.036 nan 8.190 nan 0.000 0.451 1034 S N -0.623 115.088 115.700 0.019 0.000 2.659 1034 S HA 0.603 5.071 4.470 -0.005 0.000 0.312 1034 S C 0.710 175.329 174.600 0.031 0.000 1.114 1034 S CA -0.013 58.202 58.200 0.025 0.000 1.063 1034 S CB 1.281 64.495 63.200 0.022 0.000 0.996 1034 S HN 0.950 nan 8.310 nan 0.000 0.478 1035 A N 3.865 126.702 122.820 0.028 0.000 1.865 1035 A HA -0.087 4.230 4.320 -0.005 0.000 0.217 1035 A C 1.882 179.501 177.584 0.057 0.000 1.191 1035 A CA 1.847 53.902 52.037 0.030 0.000 0.623 1035 A CB -0.821 18.181 19.000 0.003 0.000 0.826 1035 A HN 0.884 nan 8.150 nan 0.000 0.444 1036 E N -0.468 119.760 120.200 0.046 0.000 2.072 1036 E HA -0.202 4.145 4.350 -0.005 0.000 0.191 1036 E C 1.650 178.273 176.600 0.039 0.000 0.985 1036 E CA 1.209 57.637 56.400 0.047 0.000 0.801 1036 E CB -0.121 29.603 29.700 0.040 0.000 0.750 1036 E HN 0.538 nan 8.360 nan 0.000 0.452 1037 N N 0.489 119.208 118.700 0.032 0.000 2.381 1037 N HA -0.104 4.633 4.740 -0.005 0.000 0.182 1037 N C 1.814 177.333 175.510 0.015 0.000 1.025 1037 N CA 0.526 53.589 53.050 0.023 0.000 0.888 1037 N CB -0.098 38.400 38.487 0.019 0.000 0.965 1037 N HN 0.227 nan 8.380 nan 0.000 0.438 1038 L N 0.575 121.813 121.223 0.025 0.000 2.005 1038 L HA -0.141 4.196 4.340 -0.005 0.000 0.207 1038 L C 2.372 179.202 176.870 -0.066 0.000 1.072 1038 L CA 1.100 55.942 54.840 0.002 0.000 0.744 1038 L CB -0.368 41.734 42.059 0.072 0.000 0.895 1038 L HN 0.162 nan 8.230 nan 0.000 0.433 1039 Q N 0.239 120.027 119.800 -0.020 0.000 2.096 1039 Q HA -0.250 4.088 4.340 -0.005 0.000 0.204 1039 Q C 2.192 178.179 176.000 -0.021 0.000 0.982 1039 Q CA 1.589 57.368 55.803 -0.040 0.000 0.850 1039 Q CB -0.155 28.620 28.738 0.062 0.000 0.901 1039 Q HN 0.447 nan 8.270 nan 0.000 0.422 1040 K N -0.071 120.331 120.400 0.003 0.000 2.009 1040 K HA -0.116 4.201 4.320 -0.005 0.000 0.210 1040 K C 2.321 178.924 176.600 0.006 0.000 1.049 1040 K CA 1.600 57.892 56.287 0.009 0.000 0.929 1040 K CB -0.059 32.451 32.500 0.015 0.000 0.714 1040 K HN 0.047 nan 8.250 nan 0.000 0.440 1041 S N 1.348 117.048 115.700 0.001 0.000 2.368 1041 S HA -0.110 4.358 4.470 -0.005 0.000 0.225 1041 S C 1.969 176.585 174.600 0.027 0.000 1.030 1041 S CA 1.104 59.311 58.200 0.012 0.000 0.999 1041 S CB -0.201 63.001 63.200 0.003 0.000 0.844 1041 S HN 0.192 nan 8.310 nan 0.000 0.459 1042 L N 1.136 122.363 121.223 0.007 0.000 2.056 1042 L HA -0.111 4.226 4.340 -0.005 0.000 0.207 1042 L C 1.991 178.922 176.870 0.103 0.000 1.078 1042 L CA 1.072 55.965 54.840 0.089 0.000 0.749 1042 L CB -0.549 41.511 42.059 0.002 0.000 0.901 1042 L HN 0.166 nan 8.230 nan 0.000 0.433 1043 D N -0.645 119.780 120.400 0.041 0.000 2.219 1043 D HA -0.205 4.433 4.640 -0.005 0.000 0.205 1043 D C 2.121 178.416 176.300 -0.007 0.000 0.970 1043 D CA 0.849 54.863 54.000 0.024 0.000 0.851 1043 D CB 0.038 40.851 40.800 0.021 0.000 0.943 1043 D HN 0.321 nan 8.370 nan 0.000 0.488 1044 Q N -0.608 119.195 119.800 0.003 0.000 2.245 1044 Q HA 0.019 4.357 4.340 -0.005 0.000 0.201 1044 Q C 1.990 177.983 176.000 -0.012 0.000 0.955 1044 Q CA 0.376 56.176 55.803 -0.005 0.000 0.870 1044 Q CB 0.123 28.872 28.738 0.018 0.000 0.945 1044 Q HN 0.247 nan 8.270 nan 0.000 0.461 1045 M N 0.018 119.632 119.600 0.024 0.000 2.160 1045 M HA -0.146 4.331 4.480 -0.005 0.000 0.264 1045 M C 2.151 178.372 176.300 -0.132 0.000 1.073 1045 M CA 1.357 56.697 55.300 0.067 0.000 1.142 1045 M CB -0.022 32.675 32.600 0.162 0.000 1.358 1045 M HN -0.042 nan 8.290 nan 0.000 0.422 1046 K N 0.555 120.771 120.400 -0.307 0.000 2.044 1046 K HA -0.273 4.044 4.320 -0.005 0.000 0.210 1046 K C 2.054 178.500 176.600 -0.257 0.000 1.049 1046 K CA 1.936 57.933 56.287 -0.483 0.000 0.927 1046 K CB -0.250 32.034 32.500 -0.359 0.000 0.713 1046 K HN 0.318 nan 8.250 nan 0.000 0.443 1047 K N 0.559 120.857 120.400 -0.169 0.000 2.097 1047 K HA -0.173 4.145 4.320 -0.005 0.000 0.206 1047 K C 2.111 178.593 176.600 -0.195 0.000 1.049 1047 K CA 1.498 57.702 56.287 -0.139 0.000 0.933 1047 K CB 0.069 32.512 32.500 -0.096 0.000 0.717 1047 K HN 0.264 nan 8.250 nan 0.000 0.442 1048 Q N 0.034 119.665 119.800 -0.283 0.000 2.230 1048 Q HA -0.054 4.284 4.340 -0.005 0.000 0.202 1048 Q C 2.002 177.656 176.000 -0.576 0.000 0.963 1048 Q CA 0.871 56.337 55.803 -0.562 0.000 0.866 1048 Q CB 0.101 28.285 28.738 -0.924 0.000 0.931 1048 Q HN 0.361 nan 8.270 nan 0.000 0.452 1049 I N 0.254 120.663 120.570 -0.269 0.000 2.163 1049 I HA -0.223 3.944 4.170 -0.005 0.000 0.240 1049 I C 2.225 178.287 176.117 -0.092 0.000 1.081 1049 I CA 1.049 62.297 61.300 -0.086 0.000 1.353 1049 I CB -0.243 37.702 38.000 -0.093 0.000 1.054 1049 I HN 0.095 nan 8.210 nan 0.000 0.407 1050 A N -0.171 122.579 122.820 -0.116 0.000 2.172 1050 A HA -0.178 4.139 4.320 -0.005 0.000 0.216 1050 A C 1.766 179.313 177.584 -0.062 0.000 1.154 1050 A CA 1.486 53.478 52.037 -0.074 0.000 0.701 1050 A CB -0.491 18.466 19.000 -0.071 0.000 0.789 1050 A HN 0.318 nan 8.150 nan 0.000 0.465 1051 D N -0.305 120.035 120.400 -0.100 0.000 2.097 1051 D HA -0.089 4.549 4.640 -0.005 0.000 0.197 1051 D C 2.030 178.318 176.300 -0.021 0.000 0.984 1051 D CA 1.474 55.428 54.000 -0.077 0.000 0.826 1051 D CB -0.114 40.602 40.800 -0.141 0.000 0.973 1051 D HN 0.215 nan 8.370 nan 0.000 0.460 1052 V N 0.604 120.510 119.914 -0.013 0.000 2.453 1052 V HA -0.136 3.981 4.120 -0.005 0.000 0.247 1052 V C 2.341 178.471 176.094 0.060 0.000 1.048 1052 V CA 1.319 63.660 62.300 0.067 0.000 1.049 1052 V CB -0.428 31.478 31.823 0.138 0.000 0.672 1052 V HN 0.194 nan 8.190 nan 0.000 0.457 1053 E N 0.309 120.526 120.200 0.028 0.000 2.085 1053 E HA -0.269 4.078 4.350 -0.005 0.000 0.194 1053 E C 2.473 179.093 176.600 0.034 0.000 0.994 1053 E CA 1.256 57.667 56.400 0.019 0.000 0.801 1053 E CB -0.049 29.649 29.700 -0.004 0.000 0.743 1053 E HN 0.320 nan 8.360 nan 0.000 0.453 1054 R N 0.223 120.743 120.500 0.033 0.000 2.161 1054 R HA -0.067 4.270 4.340 -0.005 0.000 0.213 1054 R C 0.973 177.322 176.300 0.081 0.000 1.055 1054 R CA 0.954 57.080 56.100 0.044 0.000 0.996 1054 R CB 0.102 30.417 30.300 0.025 0.000 0.901 1054 R HN 0.162 nan 8.270 nan 0.000 0.456 1055 D N -0.264 120.196 120.400 0.100 0.000 2.317 1055 D HA -0.046 4.591 4.640 -0.005 0.000 0.211 1055 D C 1.489 177.914 176.300 0.209 0.000 0.966 1055 D CA 0.521 54.621 54.000 0.167 0.000 0.876 1055 D CB 0.431 41.328 40.800 0.162 0.000 0.927 1055 D HN 0.005 nan 8.370 nan 0.000 0.519 1056 V N 0.336 120.337 119.914 0.145 0.000 3.406 1056 V HA -0.029 4.088 4.120 -0.005 0.000 0.263 1056 V C 2.035 178.214 176.094 0.142 0.000 1.172 1056 V CA 0.831 63.208 62.300 0.127 0.000 1.140 1056 V CB -0.035 31.813 31.823 0.043 0.000 0.784 1056 V HN 0.132 nan 8.190 nan 0.000 0.467 1057 Q N -0.127 119.751 119.800 0.130 0.000 2.259 1057 Q HA 0.011 4.349 4.340 -0.005 0.000 0.201 1057 Q C 1.505 177.580 176.000 0.125 0.000 0.938 1057 Q CA 0.804 56.671 55.803 0.107 0.000 0.872 1057 Q CB 0.067 28.847 28.738 0.069 0.000 0.971 1057 Q HN 0.539 nan 8.270 nan 0.000 0.494 1058 N N -0.327 118.463 118.700 0.149 0.000 2.398 1058 N HA 0.029 4.766 4.740 -0.005 0.000 0.188 1058 N C -0.598 174.993 175.510 0.135 0.000 1.122 1058 N CA 0.177 53.296 53.050 0.115 0.000 0.866 1058 N CB 0.153 38.688 38.487 0.078 0.000 0.970 1058 N HN 0.027 nan 8.380 nan 0.000 0.462 1059 F N 2.086 122.044 119.950 0.013 0.000 2.538 1059 F HA 0.187 4.711 4.527 -0.004 0.000 0.371 1059 F C -1.405 174.395 175.800 -0.001 0.000 1.087 1059 F CA -2.077 55.919 58.000 -0.007 0.000 1.250 1059 F CB 0.201 39.217 39.000 0.026 0.000 1.110 1059 F HN -0.028 nan 8.300 nan 0.000 0.570 1060 P HA 0.224 nan 4.420 nan 0.000 0.271 1060 P C -1.142 176.184 177.300 0.044 0.000 1.218 1060 P CA -0.462 62.605 63.100 -0.054 0.000 0.780 1060 P CB 0.539 32.145 31.700 -0.156 0.000 0.901 1061 A N 2.529 125.376 122.820 0.046 0.000 2.511 1061 A HA 0.421 4.738 4.320 -0.005 0.000 0.242 1061 A C 0.636 178.256 177.584 0.061 0.000 1.069 1061 A CA -0.047 52.031 52.037 0.068 0.000 0.763 1061 A CB -0.540 18.487 19.000 0.045 0.000 1.001 1061 A HN 0.651 nan 8.150 nan 0.000 0.498 1062 A N 2.917 125.790 122.820 0.089 0.000 2.553 1062 A HA 0.373 4.690 4.320 -0.005 0.000 0.258 1062 A C 1.321 178.932 177.584 0.044 0.000 1.069 1062 A CA 0.691 52.776 52.037 0.080 0.000 0.767 1062 A CB -0.514 18.543 19.000 0.095 0.000 0.997 1062 A HN 1.534 nan 8.150 nan 0.000 0.512 1063 T N -0.807 113.763 114.554 0.027 0.000 3.105 1063 T HA 0.353 4.700 4.350 -0.005 0.000 0.253 1063 T C -0.073 174.633 174.700 0.011 0.000 1.047 1063 T CA 0.335 62.441 62.100 0.011 0.000 0.944 1063 T CB -0.659 68.206 68.868 -0.006 0.000 1.016 1063 T HN 0.811 nan 8.240 nan 0.000 0.544 1064 D N -0.912 119.500 120.400 0.020 0.000 2.596 1064 D HA 0.276 4.913 4.640 -0.005 0.000 0.262 1064 D C 0.490 176.806 176.300 0.027 0.000 1.210 1064 D CA -0.926 53.085 54.000 0.018 0.000 0.873 1064 D CB 0.842 41.649 40.800 0.012 0.000 1.408 1064 D HN -0.174 nan 8.370 nan 0.000 0.441 1065 E N -0.073 120.140 120.200 0.022 0.000 2.516 1065 E HA -0.051 4.296 4.350 -0.005 0.000 0.199 1065 E C 0.651 177.268 176.600 0.029 0.000 1.069 1065 E CA 0.575 56.989 56.400 0.024 0.000 0.876 1065 E CB -0.026 29.684 29.700 0.017 0.000 0.843 1065 E HN 0.509 nan 8.360 nan 0.000 0.530 1066 K N 0.560 120.980 120.400 0.034 0.000 2.354 1066 K HA 0.023 4.340 4.320 -0.005 0.000 0.194 1066 K C 0.663 177.297 176.600 0.058 0.000 1.045 1066 K CA -0.120 56.191 56.287 0.040 0.000 1.026 1066 K CB 0.499 33.020 32.500 0.034 0.000 0.866 1066 K HN -0.053 nan 8.250 nan 0.000 0.530 1067 D N 2.462 122.904 120.400 0.069 0.000 2.398 1067 D HA -0.016 4.621 4.640 -0.005 0.000 0.250 1067 D C 0.028 176.397 176.300 0.116 0.000 1.287 1067 D CA 0.338 54.402 54.000 0.108 0.000 0.992 1067 D CB 0.586 41.457 40.800 0.118 0.000 1.071 1067 D HN -0.129 nan 8.370 nan 0.000 0.514 1068 K N 3.613 124.080 120.400 0.111 0.000 2.437 1068 K HA 0.012 4.329 4.320 -0.005 0.000 0.205 1068 K C 1.080 177.723 176.600 0.070 0.000 1.026 1068 K CA -0.486 55.845 56.287 0.074 0.000 1.153 1068 K CB 0.021 32.544 32.500 0.038 0.000 0.863 1068 K HN 0.424 nan 8.250 nan 0.000 0.502 1069 F N 1.497 121.431 119.950 -0.027 0.000 2.039 1069 F HA -0.241 4.283 4.527 -0.005 0.000 0.294 1069 F C 1.871 177.587 175.800 -0.140 0.000 1.130 1069 F CA 1.440 59.375 58.000 -0.108 0.000 1.189 1069 F CB -0.189 38.709 39.000 -0.171 0.000 0.983 1069 F HN -0.215 nan 8.300 nan 0.000 0.471 1070 V N 0.663 120.643 119.914 0.109 0.000 2.469 1070 V HA -0.304 3.813 4.120 -0.005 0.000 0.251 1070 V C 2.324 178.373 176.094 -0.075 0.000 1.064 1070 V CA 2.227 64.534 62.300 0.011 0.000 1.066 1070 V CB -1.036 30.867 31.823 0.134 0.000 0.667 1070 V HN 0.519 nan 8.190 nan 0.000 0.461 1071 E N 0.557 120.730 120.200 -0.046 0.000 2.028 1071 E HA -0.218 4.129 4.350 -0.005 0.000 0.191 1071 E C 2.311 178.855 176.600 -0.093 0.000 0.988 1071 E CA 1.211 57.582 56.400 -0.048 0.000 0.799 1071 E CB -0.048 29.642 29.700 -0.017 0.000 0.755 1071 E HN 0.532 nan 8.360 nan 0.000 0.447 1072 K N -0.417 119.901 120.400 -0.137 0.000 2.155 1072 K HA -0.027 4.290 4.320 -0.005 0.000 0.203 1072 K C 2.003 178.484 176.600 -0.199 0.000 1.052 1072 K CA 0.811 57.008 56.287 -0.150 0.000 0.948 1072 K CB 0.065 32.473 32.500 -0.153 0.000 0.728 1072 K HN 0.248 nan 8.250 nan 0.000 0.448 1073 M N 0.250 119.634 119.600 -0.360 0.000 2.492 1073 M HA -0.030 4.448 4.480 -0.005 0.000 0.262 1073 M C 1.657 177.866 176.300 -0.151 0.000 1.090 1073 M CA 1.176 56.259 55.300 -0.361 0.000 1.110 1073 M CB -0.648 31.458 32.600 -0.823 0.000 1.407 1073 M HN -0.011 nan 8.290 nan 0.000 0.470 1074 T N -0.400 114.074 114.554 -0.133 0.000 2.942 1074 T HA -0.055 4.293 4.350 -0.005 0.000 0.265 1074 T C 2.048 176.719 174.700 -0.048 0.000 1.062 1074 T CA 1.551 63.608 62.100 -0.070 0.000 1.139 1074 T CB -0.030 68.805 68.868 -0.055 0.000 0.883 1074 T HN 0.372 nan 8.240 nan 0.000 0.468 1075 S N 0.380 116.055 115.700 -0.041 0.000 2.406 1075 S HA -0.021 4.446 4.470 -0.005 0.000 0.228 1075 S C 1.645 176.239 174.600 -0.011 0.000 1.020 1075 S CA 0.488 58.673 58.200 -0.025 0.000 0.965 1075 S CB -0.423 62.765 63.200 -0.020 0.000 0.798 1075 S HN 0.457 nan 8.310 nan 0.000 0.488 1076 F N 1.838 121.686 119.950 -0.170 0.000 2.098 1076 F HA 0.065 4.589 4.527 -0.005 0.000 0.294 1076 F C 2.088 177.759 175.800 -0.216 0.000 1.107 1076 F CA 1.230 59.101 58.000 -0.215 0.000 1.234 1076 F CB -0.637 38.218 39.000 -0.241 0.000 1.002 1076 F HN 0.027 nan 8.300 nan 0.000 0.472 1077 V N 0.796 120.609 119.914 -0.168 0.000 2.407 1077 V HA -0.284 3.834 4.120 -0.005 0.000 0.248 1077 V C 2.373 178.343 176.094 -0.206 0.000 1.055 1077 V CA 1.970 64.140 62.300 -0.216 0.000 1.049 1077 V CB -0.695 31.089 31.823 -0.066 0.000 0.662 1077 V HN 0.272 nan 8.190 nan 0.000 0.455 1078 K N -0.263 120.049 120.400 -0.147 0.000 2.097 1078 K HA -0.196 4.122 4.320 -0.005 0.000 0.205 1078 K C 1.941 178.457 176.600 -0.140 0.000 1.050 1078 K CA 1.678 57.900 56.287 -0.109 0.000 0.938 1078 K CB -0.209 32.250 32.500 -0.069 0.000 0.718 1078 K HN 0.457 nan 8.250 nan 0.000 0.442 1079 D N 0.409 120.684 120.400 -0.210 0.000 2.162 1079 D HA -0.050 4.587 4.640 -0.005 0.000 0.203 1079 D C 1.665 177.772 176.300 -0.322 0.000 0.967 1079 D CA 1.069 54.936 54.000 -0.221 0.000 0.840 1079 D CB 0.146 40.822 40.800 -0.208 0.000 0.972 1079 D HN 0.146 nan 8.370 nan 0.000 0.482 1080 A N -0.115 122.325 122.820 -0.633 0.000 1.929 1080 A HA -0.101 4.216 4.320 -0.005 0.000 0.216 1080 A C 2.170 179.653 177.584 -0.169 0.000 1.176 1080 A CA 1.319 52.892 52.037 -0.772 0.000 0.628 1080 A CB -0.625 17.483 19.000 -1.487 0.000 0.816 1080 A HN 0.308 nan 8.150 nan 0.000 0.444 1081 Q N -0.705 119.018 119.800 -0.129 0.000 2.230 1081 Q HA -0.116 4.221 4.340 -0.005 0.000 0.202 1081 Q C 1.925 177.975 176.000 0.084 0.000 0.963 1081 Q CA 1.226 57.056 55.803 0.045 0.000 0.866 1081 Q CB -0.041 28.701 28.738 0.007 0.000 0.931 1081 Q HN 0.793 nan 8.270 nan 0.000 0.452 1082 E N -0.249 119.959 120.200 0.013 0.000 2.150 1082 E HA -0.208 4.140 4.350 -0.005 0.000 0.193 1082 E C 1.769 178.399 176.600 0.050 0.000 0.985 1082 E CA 0.951 57.362 56.400 0.019 0.000 0.814 1082 E CB 0.219 29.912 29.700 -0.012 0.000 0.752 1082 E HN 0.422 nan 8.360 nan 0.000 0.466 1083 Q N -1.037 118.822 119.800 0.098 0.000 2.250 1083 Q HA -0.115 4.222 4.340 -0.005 0.000 0.200 1083 Q C 1.811 177.905 176.000 0.157 0.000 0.941 1083 Q CA 0.710 56.595 55.803 0.137 0.000 0.872 1083 Q CB -0.020 28.858 28.738 0.233 0.000 0.965 1083 Q HN 0.372 nan 8.270 nan 0.000 0.480 1084 Y N 2.239 122.603 120.300 0.108 0.000 2.200 1084 Y HA -0.180 4.367 4.550 -0.005 0.000 0.290 1084 Y C 1.667 177.594 175.900 0.045 0.000 1.137 1084 Y CA 1.528 59.679 58.100 0.085 0.000 1.163 1084 Y CB -0.139 38.386 38.460 0.108 0.000 0.988 1084 Y HN 0.079 nan 8.280 nan 0.000 0.518 1085 N N 0.595 119.250 118.700 -0.076 0.000 2.223 1085 N HA -0.143 4.594 4.740 -0.005 0.000 0.185 1085 N C 1.622 177.042 175.510 -0.150 0.000 1.016 1085 N CA 1.420 54.370 53.050 -0.167 0.000 0.863 1085 N CB -0.274 38.206 38.487 -0.011 0.000 0.983 1085 N HN 0.440 nan 8.380 nan 0.000 0.429 1086 K N -0.130 120.220 120.400 -0.084 0.000 2.148 1086 K HA -0.005 4.313 4.320 -0.005 0.000 0.204 1086 K C 1.507 178.056 176.600 -0.085 0.000 1.050 1086 K CA 0.471 56.721 56.287 -0.063 0.000 0.942 1086 K CB 0.019 32.504 32.500 -0.025 0.000 0.724 1086 K HN 0.003 nan 8.250 nan 0.000 0.446 1087 L N 1.017 122.166 121.223 -0.123 0.000 2.044 1087 L HA -0.069 4.269 4.340 -0.005 0.000 0.205 1087 L C 2.290 179.063 176.870 -0.161 0.000 1.075 1087 L CA 1.504 56.271 54.840 -0.122 0.000 0.747 1087 L CB -0.587 41.409 42.059 -0.104 0.000 0.903 1087 L HN 0.063 nan 8.230 nan 0.000 0.435 1088 R N -1.293 118.991 120.500 -0.360 0.000 2.139 1088 R HA -0.207 4.130 4.340 -0.005 0.000 0.243 1088 R C 2.183 178.421 176.300 -0.104 0.000 1.145 1088 R CA 1.369 57.285 56.100 -0.307 0.000 0.976 1088 R CB -0.049 29.922 30.300 -0.548 0.000 0.866 1088 R HN 0.253 nan 8.270 nan 0.000 0.449 1089 M N -0.069 119.468 119.600 -0.105 0.000 2.059 1089 M HA -0.199 4.278 4.480 -0.005 0.000 0.259 1089 M C 2.298 178.583 176.300 -0.025 0.000 1.072 1089 M CA 1.834 57.102 55.300 -0.052 0.000 1.117 1089 M CB -0.657 31.912 32.600 -0.052 0.000 1.320 1089 M HN 0.239 nan 8.290 nan 0.000 0.408 1090 M N -1.663 117.925 119.600 -0.021 0.000 2.149 1090 M HA -0.252 4.225 4.480 -0.005 0.000 0.261 1090 M C 2.155 178.466 176.300 0.018 0.000 1.064 1090 M CA 1.783 57.079 55.300 -0.007 0.000 1.102 1090 M CB -0.829 31.766 32.600 -0.009 0.000 1.369 1090 M HN 0.321 nan 8.290 nan 0.000 0.408 1091 H N 0.396 119.433 119.070 -0.056 0.000 2.299 1091 H HA -0.110 4.443 4.556 -0.005 0.000 0.302 1091 H C 2.228 177.544 175.328 -0.021 0.000 1.078 1091 H CA 2.436 58.462 56.048 -0.038 0.000 1.323 1091 H CB -0.106 29.629 29.762 -0.045 0.000 1.381 1091 H HN 0.371 nan 8.280 nan 0.000 0.498 1092 S N 0.017 115.688 115.700 -0.049 0.000 2.402 1092 S HA -0.215 4.252 4.470 -0.005 0.000 0.229 1092 S C 2.102 176.654 174.600 -0.081 0.000 1.021 1092 S CA 1.113 59.262 58.200 -0.086 0.000 0.974 1092 S CB -0.532 62.668 63.200 -0.000 0.000 0.800 1092 S HN 0.681 nan 8.310 nan 0.000 0.484 1093 N N 1.624 120.291 118.700 -0.056 0.000 2.084 1093 N HA -0.164 4.574 4.740 -0.005 0.000 0.190 1093 N C 1.968 177.451 175.510 -0.044 0.000 1.030 1093 N CA 1.641 54.666 53.050 -0.042 0.000 0.849 1093 N CB -0.382 38.087 38.487 -0.030 0.000 1.012 1093 N HN 0.554 nan 8.380 nan 0.000 0.423 1094 M N 0.966 120.527 119.600 -0.065 0.000 2.080 1094 M HA -0.145 4.332 4.480 -0.005 0.000 0.260 1094 M C 1.718 177.997 176.300 -0.035 0.000 1.068 1094 M CA 1.607 56.878 55.300 -0.048 0.000 1.109 1094 M CB -0.202 32.356 32.600 -0.071 0.000 1.342 1094 M HN 0.168 nan 8.290 nan 0.000 0.405 1095 E N -0.542 119.581 120.200 -0.128 0.000 2.110 1095 E HA -0.165 4.182 4.350 -0.005 0.000 0.193 1095 E C 1.776 178.389 176.600 0.021 0.000 0.988 1095 E CA 1.923 58.283 56.400 -0.066 0.000 0.804 1095 E CB -0.089 29.513 29.700 -0.164 0.000 0.745 1095 E HN 0.601 nan 8.360 nan 0.000 0.458 1096 T N 1.737 116.282 114.554 -0.015 0.000 2.684 1096 T HA -0.164 4.183 4.350 -0.005 0.000 0.267 1096 T C 1.977 176.680 174.700 0.004 0.000 1.036 1096 T CA 0.871 62.964 62.100 -0.011 0.000 1.148 1096 T CB -0.279 68.574 68.868 -0.025 0.000 0.863 1096 T HN 0.118 nan 8.240 nan 0.000 0.436 1097 L N -0.540 120.699 121.223 0.027 0.000 2.127 1097 L HA -0.129 4.208 4.340 -0.005 0.000 0.211 1097 L C 2.411 179.342 176.870 0.102 0.000 1.089 1097 L CA 1.495 56.365 54.840 0.050 0.000 0.757 1097 L CB -0.453 41.648 42.059 0.069 0.000 0.899 1097 L HN 0.295 nan 8.230 nan 0.000 0.434 1098 Y N 0.396 120.701 120.300 0.008 0.000 2.286 1098 Y HA -0.177 4.371 4.550 -0.005 0.000 0.293 1098 Y C 2.640 178.495 175.900 -0.076 0.000 1.124 1098 Y CA 1.299 59.410 58.100 0.018 0.000 1.178 1098 Y CB 0.019 38.514 38.460 0.059 0.000 1.010 1098 Y HN -0.075 nan 8.280 nan 0.000 0.536 1099 K N 0.721 121.101 120.400 -0.033 0.000 2.147 1099 K HA -0.224 4.094 4.320 -0.005 0.000 0.205 1099 K C 1.796 178.259 176.600 -0.229 0.000 1.049 1099 K CA 1.738 57.931 56.287 -0.157 0.000 0.936 1099 K CB -0.038 32.421 32.500 -0.067 0.000 0.722 1099 K HN 0.374 nan 8.250 nan 0.000 0.446 1100 E N 0.614 120.723 120.200 -0.151 0.000 2.047 1100 E HA -0.071 4.276 4.350 -0.005 0.000 0.191 1100 E C 2.070 178.562 176.600 -0.180 0.000 0.987 1100 E CA 0.933 57.246 56.400 -0.145 0.000 0.799 1100 E CB -0.078 29.564 29.700 -0.097 0.000 0.752 1100 E HN 0.215 nan 8.360 nan 0.000 0.449 1101 L N -0.525 120.591 121.223 -0.178 0.000 2.083 1101 L HA -0.099 4.238 4.340 -0.005 0.000 0.209 1101 L C 2.388 178.980 176.870 -0.464 0.000 1.083 1101 L CA 1.111 55.884 54.840 -0.111 0.000 0.752 1101 L CB -0.662 41.409 42.059 0.021 0.000 0.899 1101 L HN 0.311 nan 8.230 nan 0.000 0.433 1102 G N -0.351 107.856 108.800 -0.988 0.000 2.442 1102 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.219 1102 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.219 1102 G C 1.045 175.438 174.900 -0.845 0.000 1.141 1102 G CA 1.264 45.390 45.100 -1.623 0.000 0.763 1102 G HN 0.337 nan 8.290 nan 0.000 0.554 1103 D N -1.736 118.392 120.400 -0.454 0.000 2.216 1103 D HA 0.025 4.662 4.640 -0.005 0.000 0.208 1103 D C 1.893 178.086 176.300 -0.178 0.000 0.960 1103 D CA 0.158 54.001 54.000 -0.262 0.000 0.861 1103 D CB -0.169 40.523 40.800 -0.180 0.000 0.985 1103 D HN 0.263 nan 8.370 nan 0.000 0.493 1104 Y N 0.048 120.156 120.300 -0.321 0.000 2.145 1104 Y HA -0.118 4.429 4.550 -0.005 0.000 0.286 1104 Y C 1.216 176.865 175.900 -0.419 0.000 1.145 1104 Y CA 1.465 59.331 58.100 -0.390 0.000 1.148 1104 Y CB -0.320 37.844 38.460 -0.493 0.000 0.981 1104 Y HN -0.038 nan 8.280 nan 0.000 0.507 1105 F N -0.985 118.923 119.950 -0.071 0.000 2.693 1105 F HA 0.208 4.733 4.527 -0.004 0.000 0.303 1105 F C 0.953 176.736 175.800 -0.029 0.000 1.097 1105 F CA 0.231 58.201 58.000 -0.050 0.000 1.330 1105 F CB 0.315 39.444 39.000 0.215 0.000 1.067 1105 F HN -0.256 nan 8.300 nan 0.000 0.565 1106 V N 2.467 122.365 119.914 -0.027 0.000 5.881 1106 V HA -0.314 3.804 4.120 -0.005 0.000 0.227 1106 V C -1.032 175.103 176.094 0.068 0.000 0.683 1106 V CA 0.624 62.888 62.300 -0.060 0.000 0.747 1106 V CB -1.595 30.194 31.823 -0.058 0.000 0.784 1106 V HN 0.353 nan 8.190 nan 0.000 0.430 1107 F N 2.674 122.596 119.950 -0.047 0.000 2.601 1107 F HA 0.699 5.223 4.527 -0.004 0.000 0.309 1107 F C -0.476 175.275 175.800 -0.082 0.000 1.089 1107 F CA -1.574 56.399 58.000 -0.045 0.000 0.940 1107 F CB 1.245 40.228 39.000 -0.029 0.000 1.273 1107 F HN 0.165 nan 8.300 nan 0.000 0.450 1108 D N 4.194 124.698 120.400 0.174 0.000 2.342 1108 D HA 0.213 4.851 4.640 -0.005 0.000 0.260 1108 D C -1.764 174.620 176.300 0.141 0.000 1.278 1108 D CA -1.520 52.524 54.000 0.073 0.000 0.910 1108 D CB 1.505 42.359 40.800 0.090 0.000 1.079 1108 D HN 0.334 nan 8.370 nan 0.000 0.496 1109 P HA -0.039 nan 4.420 nan 0.000 0.226 1109 P C 0.805 178.236 177.300 0.218 0.000 1.153 1109 P CA 0.654 63.788 63.100 0.057 0.000 0.777 1109 P CB 0.508 32.116 31.700 -0.153 0.000 0.794 1110 K N -0.877 119.601 120.400 0.129 0.000 2.323 1110 K HA 0.058 4.375 4.320 -0.005 0.000 0.197 1110 K C 1.654 178.329 176.600 0.124 0.000 1.043 1110 K CA 0.743 57.103 56.287 0.121 0.000 0.997 1110 K CB -0.003 32.541 32.500 0.072 0.000 0.807 1110 K HN -0.190 nan 8.250 nan 0.000 0.497 1111 K N 0.221 120.701 120.400 0.134 0.000 2.372 1111 K HA 0.264 4.582 4.320 -0.005 0.000 0.200 1111 K C -1.048 175.639 176.600 0.144 0.000 1.022 1111 K CA -0.074 56.285 56.287 0.120 0.000 1.125 1111 K CB 0.337 32.895 32.500 0.097 0.000 0.855 1111 K HN -0.017 nan 8.250 nan 0.000 0.524 1112 L N 0.852 122.195 121.223 0.200 0.000 2.491 1112 L HA 0.403 4.741 4.340 -0.005 0.000 0.267 1112 L C -0.634 176.407 176.870 0.284 0.000 0.971 1112 L CA -0.314 54.654 54.840 0.212 0.000 0.857 1112 L CB 1.359 43.538 42.059 0.200 0.000 1.226 1112 L HN 0.143 nan 8.230 nan 0.000 0.408 1113 S N 2.913 118.730 115.700 0.196 0.000 2.596 1113 S HA 0.279 4.747 4.470 -0.005 0.000 0.260 1113 S C 1.343 176.019 174.600 0.127 0.000 1.336 1113 S CA -0.184 58.100 58.200 0.139 0.000 0.993 1113 S CB 1.114 64.365 63.200 0.084 0.000 0.923 1113 S HN 0.494 nan 8.310 nan 0.000 0.567 1114 V N 1.619 121.467 119.914 -0.109 0.000 2.295 1114 V HA -0.168 3.949 4.120 -0.005 0.000 0.246 1114 V C 2.512 178.750 176.094 0.241 0.000 1.049 1114 V CA 2.226 64.417 62.300 -0.182 0.000 1.024 1114 V CB -1.608 30.006 31.823 -0.348 0.000 0.648 1114 V HN 0.918 nan 8.190 nan 0.000 0.447 1115 E N 0.259 120.553 120.200 0.155 0.000 2.110 1115 E HA -0.186 4.161 4.350 -0.005 0.000 0.193 1115 E C 2.161 178.865 176.600 0.173 0.000 0.988 1115 E CA 1.100 57.604 56.400 0.173 0.000 0.804 1115 E CB -0.346 29.407 29.700 0.089 0.000 0.745 1115 E HN 0.540 nan 8.360 nan 0.000 0.458 1116 E N 0.168 120.457 120.200 0.149 0.000 2.058 1116 E HA -0.185 4.163 4.350 -0.005 0.000 0.194 1116 E C 1.876 178.547 176.600 0.119 0.000 0.997 1116 E CA 1.006 57.479 56.400 0.122 0.000 0.801 1116 E CB -0.268 29.505 29.700 0.122 0.000 0.746 1116 E HN 0.312 nan 8.360 nan 0.000 0.450 1117 F N 0.387 120.331 119.950 -0.011 0.000 2.084 1117 F HA -0.174 4.351 4.527 -0.004 0.000 0.296 1117 F C 2.112 177.801 175.800 -0.185 0.000 1.111 1117 F CA 1.408 59.298 58.000 -0.185 0.000 1.224 1117 F CB -0.579 38.254 39.000 -0.278 0.000 0.991 1117 F HN -0.078 nan 8.300 nan 0.000 0.471 1118 F N -0.680 119.319 119.950 0.081 0.000 2.293 1118 F HA -0.178 4.346 4.527 -0.005 0.000 0.300 1118 F C 2.302 178.081 175.800 -0.034 0.000 1.086 1118 F CA 0.929 58.915 58.000 -0.023 0.000 1.375 1118 F CB -0.465 38.614 39.000 0.131 0.000 1.045 1118 F HN 0.098 nan 8.300 nan 0.000 0.516 1119 M N 0.647 120.327 119.600 0.133 0.000 2.132 1119 M HA -0.174 4.303 4.480 -0.005 0.000 0.263 1119 M C 1.445 177.783 176.300 0.064 0.000 1.065 1119 M CA 1.822 57.176 55.300 0.089 0.000 1.122 1119 M CB -0.582 32.051 32.600 0.056 0.000 1.365 1119 M HN -0.130 nan 8.290 nan 0.000 0.411 1120 D N -0.232 120.142 120.400 -0.043 0.000 2.144 1120 D HA -0.152 4.486 4.640 -0.005 0.000 0.199 1120 D C 2.030 178.286 176.300 -0.074 0.000 0.984 1120 D CA 0.984 54.938 54.000 -0.077 0.000 0.834 1120 D CB -0.369 40.333 40.800 -0.163 0.000 0.955 1120 D HN 0.280 nan 8.370 nan 0.000 0.465 1121 L N 0.187 121.285 121.223 -0.209 0.000 2.056 1121 L HA -0.164 4.173 4.340 -0.005 0.000 0.207 1121 L C 2.178 179.092 176.870 0.075 0.000 1.078 1121 L CA 1.711 56.456 54.840 -0.158 0.000 0.749 1121 L CB -0.657 41.157 42.059 -0.409 0.000 0.901 1121 L HN 0.176 nan 8.230 nan 0.000 0.433 1122 H N 0.211 119.294 119.070 0.020 0.000 2.321 1122 H HA -0.155 4.398 4.556 -0.005 0.000 0.300 1122 H C 2.040 177.391 175.328 0.038 0.000 1.087 1122 H CA 2.170 58.242 56.048 0.039 0.000 1.319 1122 H CB 0.186 29.974 29.762 0.042 0.000 1.379 1122 H HN 0.277 nan 8.280 nan 0.000 0.501 1123 N N -0.004 118.789 118.700 0.155 0.000 2.069 1123 N HA -0.191 4.546 4.740 -0.005 0.000 0.191 1123 N C 1.807 177.355 175.510 0.063 0.000 1.031 1123 N CA 1.408 54.516 53.050 0.096 0.000 0.852 1123 N CB -0.699 37.857 38.487 0.114 0.000 1.018 1123 N HN 0.385 nan 8.380 nan 0.000 0.423 1124 F N 2.407 122.349 119.950 -0.013 0.000 2.171 1124 F HA -0.044 4.481 4.527 -0.003 0.000 0.300 1124 F C 2.452 178.308 175.800 0.092 0.000 1.090 1124 F CA 1.081 59.105 58.000 0.039 0.000 1.293 1124 F CB -0.186 38.842 39.000 0.047 0.000 1.013 1124 F HN -0.088 nan 8.300 nan 0.000 0.486 1125 R N 0.765 121.200 120.500 -0.109 0.000 2.096 1125 R HA -0.212 4.126 4.340 -0.005 0.000 0.240 1125 R C 1.760 177.899 176.300 -0.269 0.000 1.139 1125 R CA 2.093 58.058 56.100 -0.224 0.000 0.952 1125 R CB -0.810 29.375 30.300 -0.192 0.000 0.854 1125 R HN 0.315 nan 8.270 nan 0.000 0.436 1126 N N 0.374 118.913 118.700 -0.268 0.000 2.216 1126 N HA -0.095 4.643 4.740 -0.005 0.000 0.183 1126 N C 1.790 177.216 175.510 -0.140 0.000 1.017 1126 N CA 1.133 54.058 53.050 -0.209 0.000 0.861 1126 N CB -0.274 38.079 38.487 -0.224 0.000 0.986 1126 N HN 0.230 nan 8.380 nan 0.000 0.428 1127 M N -0.770 118.751 119.600 -0.133 0.000 2.202 1127 M HA -0.152 4.325 4.480 -0.005 0.000 0.262 1127 M C 1.620 177.837 176.300 -0.137 0.000 1.063 1127 M CA 1.348 56.585 55.300 -0.105 0.000 1.097 1127 M CB -0.099 32.476 32.600 -0.041 0.000 1.382 1127 M HN 0.110 nan 8.290 nan 0.000 0.413 1128 F N 0.305 120.030 119.950 -0.376 0.000 2.149 1128 F HA -0.104 4.420 4.527 -0.005 0.000 0.294 1128 F C 1.714 177.406 175.800 -0.180 0.000 1.095 1128 F CA 1.303 59.116 58.000 -0.312 0.000 1.276 1128 F CB -0.118 38.640 39.000 -0.403 0.000 1.023 1128 F HN -0.059 nan 8.300 nan 0.000 0.480 1129 L N 0.118 121.318 121.223 -0.039 0.000 2.012 1129 L HA -0.258 4.079 4.340 -0.005 0.000 0.210 1129 L C 2.530 179.325 176.870 -0.125 0.000 1.073 1129 L CA 1.698 56.482 54.840 -0.093 0.000 0.748 1129 L CB -1.008 41.001 42.059 -0.084 0.000 0.891 1129 L HN 0.216 nan 8.230 nan 0.000 0.431 1130 Q N 0.429 120.166 119.800 -0.104 0.000 2.096 1130 Q HA -0.271 4.066 4.340 -0.005 0.000 0.208 1130 Q C 2.180 178.149 176.000 -0.051 0.000 0.993 1130 Q CA 2.535 58.297 55.803 -0.068 0.000 0.862 1130 Q CB -0.352 28.354 28.738 -0.054 0.000 0.915 1130 Q HN 0.471 nan 8.270 nan 0.000 0.416 1131 A N -0.848 121.906 122.820 -0.110 0.000 1.933 1131 A HA -0.104 4.214 4.320 -0.005 0.000 0.218 1131 A C 2.298 179.837 177.584 -0.075 0.000 1.175 1131 A CA 1.534 53.552 52.037 -0.031 0.000 0.628 1131 A CB -0.697 18.173 19.000 -0.217 0.000 0.814 1131 A HN 0.294 nan 8.150 nan 0.000 0.444 1132 V N 0.020 119.799 119.914 -0.226 0.000 2.307 1132 V HA -0.250 3.868 4.120 -0.005 0.000 0.245 1132 V C 2.460 178.494 176.094 -0.099 0.000 1.045 1132 V CA 2.321 64.508 62.300 -0.188 0.000 1.024 1132 V CB -0.610 31.085 31.823 -0.214 0.000 0.651 1132 V HN 0.549 nan 8.190 nan 0.000 0.449 1133 K N -0.126 120.225 120.400 -0.081 0.000 2.009 1133 K HA -0.226 4.091 4.320 -0.005 0.000 0.210 1133 K C 2.135 178.703 176.600 -0.052 0.000 1.049 1133 K CA 1.875 58.128 56.287 -0.057 0.000 0.929 1133 K CB -0.270 32.201 32.500 -0.048 0.000 0.714 1133 K HN 0.504 nan 8.250 nan 0.000 0.440 1134 E N 0.517 120.691 120.200 -0.042 0.000 2.171 1134 E HA -0.194 4.154 4.350 -0.005 0.000 0.197 1134 E C 1.711 178.244 176.600 -0.111 0.000 0.997 1134 E CA 1.003 57.364 56.400 -0.066 0.000 0.810 1134 E CB -0.028 29.650 29.700 -0.036 0.000 0.738 1134 E HN 0.266 nan 8.360 nan 0.000 0.467 1135 N N 0.514 119.159 118.700 -0.091 0.000 2.207 1135 N HA -0.093 4.645 4.740 -0.005 0.000 0.182 1135 N C 1.623 177.088 175.510 -0.075 0.000 1.020 1135 N CA 0.816 53.809 53.050 -0.095 0.000 0.858 1135 N CB -0.088 38.352 38.487 -0.077 0.000 0.991 1135 N HN 0.192 nan 8.380 nan 0.000 0.427 1136 Q N 0.360 120.122 119.800 -0.063 0.000 2.167 1136 Q HA -0.046 4.291 4.340 -0.005 0.000 0.202 1136 Q C 1.878 177.849 176.000 -0.047 0.000 0.970 1136 Q CA 0.948 56.720 55.803 -0.050 0.000 0.855 1136 Q CB 0.095 28.807 28.738 -0.044 0.000 0.911 1136 Q HN 0.224 nan 8.270 nan 0.000 0.438 1137 K N 1.281 121.649 120.400 -0.053 0.000 2.062 1137 K HA -0.136 4.181 4.320 -0.005 0.000 0.205 1137 K C 2.034 178.602 176.600 -0.053 0.000 1.051 1137 K CA 1.007 57.265 56.287 -0.048 0.000 0.941 1137 K CB 0.001 32.472 32.500 -0.048 0.000 0.719 1137 K HN 0.063 nan 8.250 nan 0.000 0.440 1138 R N 0.878 121.337 120.500 -0.069 0.000 2.066 1138 R HA -0.130 4.207 4.340 -0.005 0.000 0.232 1138 R C 2.502 178.770 176.300 -0.054 0.000 1.131 1138 R CA 1.621 57.679 56.100 -0.070 0.000 0.955 1138 R CB -0.234 30.005 30.300 -0.101 0.000 0.851 1138 R HN 0.105 nan 8.270 nan 0.000 0.432 1139 R N 0.681 121.150 120.500 -0.053 0.000 2.096 1139 R HA -0.124 4.214 4.340 -0.005 0.000 0.235 1139 R C 1.813 178.093 176.300 -0.034 0.000 1.127 1139 R CA 1.960 58.035 56.100 -0.042 0.000 0.968 1139 R CB -0.099 30.175 30.300 -0.043 0.000 0.861 1139 R HN 0.374 nan 8.270 nan 0.000 0.440 1140 E N -0.633 119.547 120.200 -0.034 0.000 2.153 1140 E HA -0.123 4.224 4.350 -0.005 0.000 0.194 1140 E C 1.476 178.062 176.600 -0.025 0.000 0.988 1140 E CA 1.713 58.096 56.400 -0.027 0.000 0.811 1140 E CB 0.106 29.790 29.700 -0.027 0.000 0.746 1140 E HN 0.441 nan 8.360 nan 0.000 0.466 1141 T N 1.054 115.592 114.554 -0.028 0.000 3.072 1141 T HA -0.039 4.308 4.350 -0.005 0.000 0.266 1141 T C 1.323 176.010 174.700 -0.022 0.000 1.127 1141 T CA 0.574 62.659 62.100 -0.025 0.000 1.107 1141 T CB 0.074 68.926 68.868 -0.028 0.000 0.910 1141 T HN 0.113 nan 8.240 nan 0.000 0.513 1142 E N 1.013 121.199 120.200 -0.024 0.000 2.216 1142 E HA 0.007 4.354 4.350 -0.005 0.000 0.192 1142 E C 2.107 178.697 176.600 -0.017 0.000 0.973 1142 E CA 0.533 56.921 56.400 -0.020 0.000 0.851 1142 E CB 0.065 29.752 29.700 -0.022 0.000 0.804 1142 E HN 0.470 nan 8.360 nan 0.000 0.477 1143 E N 1.793 121.983 120.200 -0.018 0.000 2.072 1143 E HA -0.072 4.276 4.350 -0.005 0.000 0.190 1143 E C 1.463 178.055 176.600 -0.013 0.000 0.982 1143 E CA 1.058 57.449 56.400 -0.015 0.000 0.803 1143 E CB 0.130 29.820 29.700 -0.017 0.000 0.755 1143 E HN -0.040 nan 8.360 nan 0.000 0.453 1144 K N -0.482 119.910 120.400 -0.014 0.000 2.487 1144 K HA 0.090 4.407 4.320 -0.005 0.000 0.192 1144 K C 1.495 178.088 176.600 -0.011 0.000 1.027 1144 K CA 0.323 56.603 56.287 -0.012 0.000 1.054 1144 K CB 0.135 32.627 32.500 -0.013 0.000 0.824 1144 K HN 0.273 nan 8.250 nan 0.000 0.510 1145 M N -0.498 119.095 119.600 -0.012 0.000 2.538 1145 M HA 0.057 4.534 4.480 -0.005 0.000 0.259 1145 M C 1.547 177.841 176.300 -0.009 0.000 1.217 1145 M CA 0.312 55.606 55.300 -0.010 0.000 1.131 1145 M CB 0.481 33.074 32.600 -0.011 0.000 1.382 1145 M HN -0.069 nan 8.290 nan 0.000 0.520 1146 R N 0.742 121.236 120.500 -0.009 0.000 2.057 1146 R HA 0.019 4.356 4.340 -0.005 0.000 0.229 1146 R C 1.988 178.284 176.300 -0.007 0.000 1.136 1146 R CA 1.398 57.493 56.100 -0.008 0.000 0.952 1146 R CB -0.730 29.564 30.300 -0.008 0.000 0.848 1146 R HN 0.399 nan 8.270 nan 0.000 0.430 1147 R N 0.155 120.651 120.500 -0.007 0.000 2.091 1147 R HA -0.062 4.275 4.340 -0.005 0.000 0.238 1147 R C 2.193 178.489 176.300 -0.006 0.000 1.136 1147 R CA 1.484 57.580 56.100 -0.006 0.000 0.959 1147 R CB -0.338 29.958 30.300 -0.007 0.000 0.856 1147 R HN 0.201 nan 8.270 nan 0.000 0.437 1148 A N 0.995 123.812 122.820 -0.006 0.000 1.930 1148 A HA -0.165 4.153 4.320 -0.005 0.000 0.217 1148 A C 2.000 179.581 177.584 -0.005 0.000 1.175 1148 A CA 1.194 53.228 52.037 -0.006 0.000 0.627 1148 A CB -0.239 18.757 19.000 -0.006 0.000 0.815 1148 A HN 0.155 nan 8.150 nan 0.000 0.443 1149 K N -0.649 119.748 120.400 -0.005 0.000 2.228 1149 K HA 0.128 4.445 4.320 -0.005 0.000 0.202 1149 K C 1.720 178.318 176.600 -0.003 0.000 1.051 1149 K CA 0.524 56.809 56.287 -0.004 0.000 0.960 1149 K CB -0.151 32.346 32.500 -0.004 0.000 0.743 1149 K HN 0.492 nan 8.250 nan 0.000 0.458 1150 L N 0.111 121.332 121.223 -0.004 0.000 2.131 1150 L HA -0.047 4.290 4.340 -0.005 0.000 0.206 1150 L C 2.264 179.133 176.870 -0.003 0.000 1.087 1150 L CA 0.849 55.688 54.840 -0.003 0.000 0.767 1150 L CB -0.246 41.811 42.059 -0.003 0.000 0.917 1150 L HN 0.133 nan 8.230 nan 0.000 0.441 1151 A N -0.754 122.064 122.820 -0.003 0.000 2.172 1151 A HA -0.168 4.149 4.320 -0.005 0.000 0.216 1151 A C 2.329 179.912 177.584 -0.002 0.000 1.154 1151 A CA 1.232 53.267 52.037 -0.002 0.000 0.701 1151 A CB -0.248 18.750 19.000 -0.003 0.000 0.789 1151 A HN 0.270 nan 8.150 nan 0.000 0.465 1152 K N -0.473 119.925 120.400 -0.002 0.000 2.244 1152 K HA 0.032 4.349 4.320 -0.005 0.000 0.200 1152 K C 1.538 178.137 176.600 -0.001 0.000 1.052 1152 K CA 0.694 56.980 56.287 -0.001 0.000 0.980 1152 K CB 0.034 32.533 32.500 -0.002 0.000 0.838 1152 K HN 0.539 nan 8.250 nan 0.000 0.481 1153 E N 0.679 120.878 120.200 -0.001 0.000 2.204 1153 E HA -0.186 4.161 4.350 -0.005 0.000 0.194 1153 E C 1.746 178.346 176.600 -0.001 0.000 0.989 1153 E CA 0.872 57.272 56.400 -0.001 0.000 0.824 1153 E CB 0.183 29.883 29.700 -0.001 0.000 0.756 1153 E HN 0.071 nan 8.360 nan 0.000 0.477 1154 K N 1.267 121.667 120.400 -0.001 0.000 2.025 1154 K HA -0.078 4.240 4.320 -0.005 0.000 0.207 1154 K C 1.881 178.481 176.600 0.001 0.000 1.049 1154 K CA 1.432 57.719 56.287 -0.000 0.000 0.933 1154 K CB -0.262 32.237 32.500 -0.000 0.000 0.714 1154 K HN 0.053 nan 8.250 nan 0.000 0.438 1155 A N 0.384 123.204 122.820 0.001 0.000 1.929 1155 A HA -0.109 4.209 4.320 -0.005 0.000 0.216 1155 A C 2.090 179.675 177.584 0.002 0.000 1.176 1155 A CA 1.786 53.824 52.037 0.001 0.000 0.628 1155 A CB -0.647 18.353 19.000 0.001 0.000 0.816 1155 A HN 0.494 nan 8.150 nan 0.000 0.444 1156 E N 0.562 120.763 120.200 0.001 0.000 2.106 1156 E HA -0.181 4.166 4.350 -0.005 0.000 0.192 1156 E C 1.968 178.569 176.600 0.001 0.000 0.984 1156 E CA 1.732 58.132 56.400 0.001 0.000 0.806 1156 E CB -0.233 29.468 29.700 0.000 0.000 0.750 1156 E HN 0.564 nan 8.360 nan 0.000 0.458 1157 K N 0.317 120.717 120.400 0.001 0.000 2.057 1157 K HA -0.154 4.163 4.320 -0.005 0.000 0.206 1157 K C 1.878 178.479 176.600 0.002 0.000 1.050 1157 K CA 1.541 57.829 56.287 0.001 0.000 0.935 1157 K CB -0.065 32.436 32.500 0.001 0.000 0.715 1157 K HN 0.186 nan 8.250 nan 0.000 0.439 1158 E N -0.004 120.197 120.200 0.002 0.000 2.152 1158 E HA -0.120 4.228 4.350 -0.005 0.000 0.192 1158 E C 2.167 178.770 176.600 0.004 0.000 0.983 1158 E CA 0.356 56.758 56.400 0.003 0.000 0.818 1158 E CB 0.073 29.776 29.700 0.004 0.000 0.758 1158 E HN 0.136 nan 8.360 nan 0.000 0.467 1159 R N 0.766 121.268 120.500 0.003 0.000 2.092 1159 R HA -0.070 4.267 4.340 -0.005 0.000 0.231 1159 R C 1.995 178.297 176.300 0.002 0.000 1.119 1159 R CA 0.672 56.774 56.100 0.004 0.000 0.970 1159 R CB -0.147 30.155 30.300 0.003 0.000 0.864 1159 R HN 0.210 nan 8.270 nan 0.000 0.440 1160 L N 1.043 122.267 121.223 0.001 0.000 2.313 1160 L HA -0.019 4.318 4.340 -0.005 0.000 0.214 1160 L C 2.003 178.873 176.870 0.000 0.000 1.119 1160 L CA 1.388 56.228 54.840 0.000 0.000 0.809 1160 L CB -0.676 41.383 42.059 -0.000 0.000 0.933 1160 L HN 0.239 nan 8.230 nan 0.000 0.449 1161 E N -0.257 119.944 120.200 0.001 0.000 2.152 1161 E HA -0.244 4.104 4.350 -0.005 0.000 0.192 1161 E C 2.126 178.726 176.600 0.001 0.000 0.983 1161 E CA 0.817 57.217 56.400 0.001 0.000 0.818 1161 E CB 0.227 29.928 29.700 0.002 0.000 0.758 1161 E HN 0.310 nan 8.360 nan 0.000 0.467 1162 K N 0.124 120.525 120.400 0.003 0.000 2.057 1162 K HA -0.160 4.157 4.320 -0.005 0.000 0.206 1162 K C 2.231 178.831 176.600 -0.001 0.000 1.050 1162 K CA 1.030 57.319 56.287 0.004 0.000 0.935 1162 K CB 0.105 32.610 32.500 0.008 0.000 0.715 1162 K HN 0.061 nan 8.250 nan 0.000 0.439 1163 Q N 0.652 120.451 119.800 -0.001 0.000 2.084 1163 Q HA -0.169 4.168 4.340 -0.005 0.000 0.202 1163 Q C 1.925 177.921 176.000 -0.007 0.000 0.978 1163 Q CA 1.482 57.283 55.803 -0.004 0.000 0.844 1163 Q CB 0.001 28.737 28.738 -0.003 0.000 0.898 1163 Q HN 0.496 nan 8.270 nan 0.000 0.426 1164 Q N -0.160 119.637 119.800 -0.005 0.000 2.436 1164 Q HA -0.064 4.274 4.340 -0.005 0.000 0.209 1164 Q C 1.589 177.584 176.000 -0.008 0.000 0.965 1164 Q CA 0.601 56.400 55.803 -0.006 0.000 0.910 1164 Q CB 0.226 28.962 28.738 -0.004 0.000 0.980 1164 Q HN 0.238 nan 8.270 nan 0.000 0.491 1165 K N -0.176 120.219 120.400 -0.009 0.000 2.202 1165 K HA 0.010 4.327 4.320 -0.005 0.000 0.201 1165 K C 1.933 178.520 176.600 -0.021 0.000 1.051 1165 K CA 0.269 56.548 56.287 -0.013 0.000 0.977 1165 K CB 0.177 32.672 32.500 -0.009 0.000 0.792 1165 K HN -0.038 nan 8.250 nan 0.000 0.469 1166 R N 1.553 122.040 120.500 -0.022 0.000 2.093 1166 R HA -0.047 4.290 4.340 -0.005 0.000 0.224 1166 R C 1.432 177.715 176.300 -0.028 0.000 1.101 1166 R CA 1.127 57.208 56.100 -0.031 0.000 0.979 1166 R CB 0.227 30.510 30.300 -0.028 0.000 0.877 1166 R HN 0.136 nan 8.270 nan 0.000 0.441 1167 E N 0.154 120.342 120.200 -0.020 0.000 2.472 1167 E HA -0.153 4.194 4.350 -0.005 0.000 0.200 1167 E C 0.666 177.255 176.600 -0.018 0.000 1.046 1167 E CA 0.492 56.882 56.400 -0.018 0.000 0.871 1167 E CB 0.201 29.893 29.700 -0.013 0.000 0.806 1167 E HN 0.398 nan 8.360 nan 0.000 0.533 1168 Q N 0.064 119.852 119.800 -0.020 0.000 2.259 1168 Q HA 0.090 4.427 4.340 -0.005 0.000 0.228 1168 Q C 0.892 176.878 176.000 -0.024 0.000 0.909 1168 Q CA 0.124 55.915 55.803 -0.019 0.000 0.948 1168 Q CB 0.279 29.007 28.738 -0.017 0.000 1.041 1168 Q HN 0.284 nan 8.270 nan 0.000 0.445 1169 L N -1.557 119.651 121.223 -0.026 0.000 3.048 1169 L HA 0.326 4.663 4.340 -0.005 0.000 0.278 1169 L C 0.049 176.904 176.870 -0.025 0.000 1.057 1169 L CA 0.092 54.915 54.840 -0.029 0.000 1.073 1169 L CB 1.023 43.058 42.059 -0.041 0.000 1.802 1169 L HN 0.079 nan 8.230 nan 0.000 0.562 1170 I N 0.693 121.250 120.570 -0.022 0.000 2.468 1170 I HA 0.222 4.390 4.170 -0.005 0.000 0.285 1170 I C -1.467 174.642 176.117 -0.015 0.000 1.039 1170 I CA -0.486 60.804 61.300 -0.018 0.000 1.074 1170 I CB 2.143 40.132 38.000 -0.019 0.000 1.228 1170 I HN -0.021 nan 8.210 nan 0.000 0.436 1171 D N 8.113 128.506 120.400 -0.012 0.000 2.373 1171 D HA 0.405 5.042 4.640 -0.005 0.000 0.227 1171 D C -0.377 175.917 176.300 -0.009 0.000 1.091 1171 D CA -0.310 53.684 54.000 -0.010 0.000 0.840 1171 D CB 1.125 41.919 40.800 -0.009 0.000 1.060 1171 D HN 0.183 nan 8.370 nan 0.000 0.502 1172 M N 2.564 122.159 119.600 -0.008 0.000 2.060 1172 M HA 0.291 4.768 4.480 -0.005 0.000 0.342 1172 M C 0.053 176.349 176.300 -0.006 0.000 1.031 1172 M CA -0.130 55.166 55.300 -0.007 0.000 0.981 1172 M CB 0.724 33.319 32.600 -0.007 0.000 1.376 1172 M HN 0.514 nan 8.290 nan 0.000 0.397 1173 N N 1.532 120.229 118.700 -0.005 0.000 2.500 1173 N HA 0.255 4.992 4.740 -0.005 0.000 0.292 1173 N C -0.622 174.885 175.510 -0.004 0.000 0.775 1173 N CA 0.288 53.335 53.050 -0.004 0.000 1.052 1173 N CB 1.137 39.622 38.487 -0.004 0.000 1.737 1173 N HN 0.546 nan 8.380 nan 0.000 1.182 1174 A N 1.828 124.645 122.820 -0.004 0.000 3.208 1174 A HA 0.291 4.609 4.320 -0.005 0.000 0.252 1174 A C -0.773 176.808 177.584 -0.004 0.000 1.225 1174 A CA -0.472 51.563 52.037 -0.004 0.000 0.980 1174 A CB 0.096 19.094 19.000 -0.003 0.000 1.414 1174 A HN 0.236 nan 8.150 nan 0.000 0.721 1175 E N -0.283 119.915 120.200 -0.004 0.000 2.405 1175 E HA 0.508 4.855 4.350 -0.005 0.000 0.253 1175 E C 1.131 177.729 176.600 -0.004 0.000 1.257 1175 E CA 0.406 56.804 56.400 -0.005 0.000 0.960 1175 E CB 0.966 30.663 29.700 -0.006 0.000 1.077 1175 E HN 0.535 nan 8.360 nan 0.000 0.512 1176 G N -0.048 108.749 108.800 -0.004 0.000 3.157 1176 G HA2 0.144 4.101 3.960 -0.005 0.000 0.206 1176 G HA3 0.144 4.101 3.960 -0.005 0.000 0.206 1176 G C -0.668 174.230 174.900 -0.004 0.000 1.903 1176 G CA -0.137 44.960 45.100 -0.004 0.000 0.771 1176 G HN 0.446 nan 8.290 nan 0.000 0.750 1177 D N -0.004 120.393 120.400 -0.004 0.000 2.738 1177 D HA 0.653 5.291 4.640 -0.005 0.000 0.237 1177 D C -1.341 174.956 176.300 -0.005 0.000 1.123 1177 D CA -0.142 53.855 54.000 -0.004 0.000 0.856 1177 D CB 2.772 43.569 40.800 -0.004 0.000 1.552 1177 D HN 0.273 nan 8.370 nan 0.000 0.480 1178 E N -0.295 119.902 120.200 -0.005 0.000 2.597 1178 E HA 0.183 4.530 4.350 -0.005 0.000 0.310 1178 E C -0.522 176.075 176.600 -0.006 0.000 0.970 1178 E CA -0.389 56.007 56.400 -0.006 0.000 0.819 1178 E CB 0.950 30.646 29.700 -0.007 0.000 1.267 1178 E HN 0.288 nan 8.360 nan 0.000 0.411 1179 T N 0.445 114.996 114.554 -0.006 0.000 3.122 1179 T HA 0.291 4.638 4.350 -0.005 0.000 0.250 1179 T C 1.215 175.911 174.700 -0.006 0.000 1.067 1179 T CA 0.340 62.437 62.100 -0.005 0.000 0.966 1179 T CB 0.497 69.362 68.868 -0.004 0.000 1.002 1179 T HN 0.373 nan 8.240 nan 0.000 0.542 1180 G N 2.228 111.024 108.800 -0.007 0.000 2.752 1180 G HA2 0.140 4.098 3.960 -0.005 0.000 0.209 1180 G HA3 0.140 4.098 3.960 -0.005 0.000 0.209 1180 G C 1.106 176.000 174.900 -0.010 0.000 1.392 1180 G CA 1.610 46.705 45.100 -0.008 0.000 0.873 1180 G HN 0.548 nan 8.290 nan 0.000 0.586 1181 V N 0.411 120.318 119.914 -0.012 0.000 0.662 1181 V HA -0.456 3.661 4.120 -0.005 0.000 0.092 1181 V C 2.314 178.398 176.094 -0.016 0.000 1.183 1181 V CA 3.717 66.008 62.300 -0.015 0.000 3.189 1181 V CB -1.550 30.265 31.823 -0.013 0.000 0.403 1181 V HN 0.578 nan 8.190 nan 0.000 0.389 1182 M N 0.981 120.573 119.600 -0.013 0.000 2.149 1182 M HA -0.138 4.339 4.480 -0.005 0.000 0.261 1182 M C 1.526 177.819 176.300 -0.013 0.000 1.064 1182 M CA 2.606 57.898 55.300 -0.013 0.000 1.102 1182 M CB -0.777 31.818 32.600 -0.009 0.000 1.369 1182 M HN 0.667 nan 8.290 nan 0.000 0.408 1183 D N -1.029 119.365 120.400 -0.011 0.000 2.183 1183 D HA -0.064 4.573 4.640 -0.005 0.000 0.203 1183 D C 1.921 178.214 176.300 -0.013 0.000 0.969 1183 D CA 1.363 55.357 54.000 -0.009 0.000 0.842 1183 D CB -0.243 40.553 40.800 -0.007 0.000 0.957 1183 D HN 0.368 nan 8.370 nan 0.000 0.484 1184 S N 0.276 115.966 115.700 -0.016 0.000 2.436 1184 S HA 0.056 4.523 4.470 -0.005 0.000 0.228 1184 S C 2.166 176.748 174.600 -0.030 0.000 1.014 1184 S CA 0.105 58.292 58.200 -0.021 0.000 0.950 1184 S CB 0.132 63.320 63.200 -0.021 0.000 0.784 1184 S HN 0.206 nan 8.310 nan 0.000 0.504 1185 L N 0.992 122.196 121.223 -0.032 0.000 2.005 1185 L HA -0.027 4.310 4.340 -0.005 0.000 0.207 1185 L C 2.021 178.865 176.870 -0.044 0.000 1.072 1185 L CA 1.182 55.995 54.840 -0.045 0.000 0.744 1185 L CB -0.511 41.524 42.059 -0.040 0.000 0.895 1185 L HN 0.289 nan 8.230 nan 0.000 0.433 1186 L N -0.716 120.491 121.223 -0.026 0.000 2.313 1186 L HA -0.121 4.216 4.340 -0.005 0.000 0.214 1186 L C 2.370 179.235 176.870 -0.009 0.000 1.119 1186 L CA 0.631 55.463 54.840 -0.014 0.000 0.809 1186 L CB -0.447 41.609 42.059 -0.004 0.000 0.933 1186 L HN 0.330 nan 8.230 nan 0.000 0.449 1187 E N 0.620 120.812 120.200 -0.013 0.000 2.268 1187 E HA -0.178 4.170 4.350 -0.005 0.000 0.195 1187 E C 1.992 178.586 176.600 -0.010 0.000 0.995 1187 E CA 1.025 57.420 56.400 -0.008 0.000 0.836 1187 E CB 0.206 29.900 29.700 -0.010 0.000 0.763 1187 E HN 0.501 nan 8.360 nan 0.000 0.491 1188 A N 0.104 122.908 122.820 -0.027 0.000 1.984 1188 A HA 0.072 4.389 4.320 -0.005 0.000 0.203 1188 A C 1.862 179.421 177.584 -0.041 0.000 1.292 1188 A CA -0.075 51.940 52.037 -0.037 0.000 0.782 1188 A CB -0.351 18.609 19.000 -0.066 0.000 0.924 1188 A HN 0.269 nan 8.150 nan 0.000 0.475 1189 L N -0.263 120.920 121.223 -0.067 0.000 1.990 1189 L HA -0.231 4.107 4.340 -0.005 0.000 0.213 1189 L C 2.453 179.377 176.870 0.091 0.000 1.072 1189 L CA 2.400 57.211 54.840 -0.049 0.000 0.755 1189 L CB -0.239 41.793 42.059 -0.045 0.000 0.889 1189 L HN 0.488 nan 8.230 nan 0.000 0.432 1190 Q N -1.040 118.795 119.800 0.058 0.000 2.311 1190 Q HA -0.089 4.249 4.340 -0.005 0.000 0.203 1190 Q C 2.062 178.102 176.000 0.066 0.000 0.954 1190 Q CA 1.306 57.150 55.803 0.068 0.000 0.885 1190 Q CB 0.125 28.887 28.738 0.040 0.000 0.963 1190 Q HN 0.720 nan 8.270 nan 0.000 0.471 1191 S N -2.170 113.563 115.700 0.054 0.000 2.575 1191 S HA 0.213 4.680 4.470 -0.005 0.000 0.215 1191 S C 1.335 175.979 174.600 0.074 0.000 0.966 1191 S CA 0.718 58.947 58.200 0.049 0.000 0.911 1191 S CB 0.622 63.838 63.200 0.028 0.000 0.780 1191 S HN 0.491 nan 8.310 nan 0.000 0.514 1192 G N 0.910 109.785 108.800 0.126 0.000 2.241 1192 G HA2 -0.288 3.669 3.960 -0.005 0.000 0.244 1192 G HA3 -0.288 3.669 3.960 -0.005 0.000 0.244 1192 G C 1.132 176.150 174.900 0.197 0.000 0.998 1192 G CA 0.142 45.372 45.100 0.216 0.000 0.621 1192 G HN 1.250 nan 8.290 nan 0.000 0.519 1193 A N 0.582 123.449 122.820 0.079 0.000 2.019 1193 A HA 0.459 4.776 4.320 -0.005 0.000 0.219 1193 A C 2.460 180.029 177.584 -0.025 0.000 1.164 1193 A CA 2.062 54.120 52.037 0.034 0.000 0.644 1193 A CB -0.559 18.445 19.000 0.006 0.000 0.805 1193 A HN 1.886 nan 8.150 nan 0.000 0.449 1194 A N -1.400 121.335 122.820 -0.142 0.000 2.236 1194 A HA 0.429 4.746 4.320 -0.005 0.000 0.214 1194 A C -0.088 177.093 177.584 -0.670 0.000 1.287 1194 A CA 0.071 51.878 52.037 -0.383 0.000 0.909 1194 A CB -0.878 17.831 19.000 -0.485 0.000 0.839 1194 A HN 0.372 nan 8.150 nan 0.000 0.486 1195 F N 0.365 120.315 119.950 -0.001 0.000 2.809 1195 F HA 0.319 4.843 4.527 -0.005 0.000 0.369 1195 F C 0.608 176.408 175.800 -0.001 0.000 1.225 1195 F CA -0.926 57.074 58.000 -0.001 0.000 1.201 1195 F CB 0.773 39.772 39.000 -0.001 0.000 1.527 1195 F HN 0.003 nan 8.300 nan 0.000 0.565 1196 R N 1.105 121.671 120.500 0.111 0.000 2.863 1196 R HA 0.239 4.576 4.340 -0.005 0.000 0.273 1196 R C 1.340 177.684 176.300 0.073 0.000 1.057 1196 R CA -0.218 55.923 56.100 0.068 0.000 1.191 1196 R CB 0.773 31.092 30.300 0.032 0.000 1.104 1196 R HN 0.571 nan 8.270 nan 0.000 0.519 1197 R N 1.376 121.905 120.500 0.048 0.000 1.986 1197 R HA -0.013 4.325 4.340 -0.005 0.000 0.208 1197 R C 0.285 176.602 176.300 0.028 0.000 1.376 1197 R CA 0.246 56.368 56.100 0.038 0.000 1.075 1197 R CB -0.353 29.964 30.300 0.029 0.000 0.925 1197 R HN 0.488 nan 8.270 nan 0.000 0.475 1198 K N 0.000 120.412 120.400 0.021 0.000 2.780 1198 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 1198 K CA 0.000 56.296 56.287 0.015 0.000 0.838 1198 K CB 0.000 32.508 32.500 0.013 0.000 1.064 1198 K HN 0.000 nan 8.250 nan 0.000 0.543