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 2ito_1_A DATA FIRST_RESID 696 DATA SEQUENCE GEAPNQALLR ILKETEFKKI KVLSSGAFGT VYKGLWIPEG EKVKIPVAIK DATA SEQUENCE ELREATSPKA NKEILDEAYV MASVDNPHVC RLLGICLTST VQLITQLMPF DATA SEQUENCE GCLLDYVREH KDNIGSQYLL NWCVQIAKGM NYLEDRRLVH RDLAARNVLV DATA SEQUENCE KTPQHVKITD FGLAKLLGAE EXXXXXXXXX VPIKWMALES ILHRIYTHQS DATA SEQUENCE DVWSYGVTVW ELMTFGSKPY DGIPASEISS ILEKGERLPQ PPICTIDVYM DATA SEQUENCE IMVKCWMIDA DSRPKFRELI IEFSKMARDP QRYLVIQGDE RMHLXXXXXX DATA SEQUENCE XXXXXXMDEE DMDDVVDADE YLIP 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 696 G HA2 0.000 nan 3.960 nan 0.000 0.244 696 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 696 G C 0.000 174.905 174.900 0.009 0.000 0.946 696 G CA 0.000 45.105 45.100 0.008 0.000 0.502 697 E N 1.154 121.360 120.200 0.010 0.000 2.191 697 E HA 0.680 5.030 4.350 0.001 0.000 0.263 697 E C -0.034 176.573 176.600 0.010 0.000 0.881 697 E CA -0.380 56.027 56.400 0.011 0.000 0.757 697 E CB 1.633 31.343 29.700 0.016 0.000 1.147 697 E HN 0.691 nan 8.360 nan 0.000 0.414 698 A N 4.798 127.623 122.820 0.007 0.000 2.407 698 A HA 0.426 4.746 4.320 0.001 0.000 0.248 698 A C -1.857 175.734 177.584 0.011 0.000 1.082 698 A CA -1.016 51.025 52.037 0.006 0.000 0.785 698 A CB -0.351 18.649 19.000 0.000 0.000 1.020 698 A HN 0.390 nan 8.150 nan 0.000 0.489 699 P HA -0.023 nan 4.420 nan 0.000 0.261 699 P C -0.644 176.661 177.300 0.008 0.000 1.203 699 P CA 0.171 63.279 63.100 0.013 0.000 0.767 699 P CB -0.052 31.653 31.700 0.009 0.000 0.785 700 N N 3.418 122.127 118.700 0.015 0.000 2.482 700 N HA 0.025 4.765 4.740 0.001 0.000 0.242 700 N C 0.379 175.876 175.510 -0.021 0.000 1.100 700 N CA -0.331 52.715 53.050 -0.008 0.000 0.946 700 N CB 0.319 38.805 38.487 -0.002 0.000 1.227 700 N HN 0.337 nan 8.380 nan 0.000 0.508 701 Q N 2.104 121.890 119.800 -0.024 0.000 2.212 701 Q HA 0.159 4.500 4.340 0.001 0.000 0.213 701 Q C 0.213 176.192 176.000 -0.036 0.000 0.874 701 Q CA -0.467 55.323 55.803 -0.022 0.000 0.965 701 Q CB 0.675 29.406 28.738 -0.012 0.000 1.074 701 Q HN 0.602 nan 8.270 nan 0.000 0.473 702 A N 1.246 124.027 122.820 -0.065 0.000 2.565 702 A HA 0.068 4.389 4.320 0.001 0.000 0.237 702 A C -0.062 177.486 177.584 -0.059 0.000 1.053 702 A CA 0.120 52.110 52.037 -0.079 0.000 0.755 702 A CB 0.099 19.014 19.000 -0.142 0.000 0.980 702 A HN 0.438 nan 8.150 nan 0.000 0.506 703 L N 2.685 123.884 121.223 -0.041 0.000 2.290 703 L HA 0.310 4.650 4.340 0.001 0.000 0.284 703 L C -0.059 176.796 176.870 -0.025 0.000 1.078 703 L CA -0.563 54.264 54.840 -0.022 0.000 0.815 703 L CB 1.012 43.068 42.059 -0.005 0.000 1.162 703 L HN 0.713 nan 8.230 nan 0.000 0.435 704 L N 5.144 126.357 121.223 -0.018 0.000 2.264 704 L HA 0.394 4.734 4.340 0.001 0.000 0.289 704 L C -0.059 176.816 176.870 0.008 0.000 1.044 704 L CA 0.066 54.897 54.840 -0.015 0.000 0.807 704 L CB 0.855 42.907 42.059 -0.012 0.000 1.192 704 L HN 0.497 nan 8.230 nan 0.000 0.425 705 R N 5.371 125.878 120.500 0.010 0.000 2.297 705 R HA 0.460 4.800 4.340 0.001 0.000 0.308 705 R C -0.946 175.371 176.300 0.028 0.000 1.029 705 R CA -0.750 55.373 56.100 0.038 0.000 0.929 705 R CB 0.819 31.159 30.300 0.066 0.000 1.046 705 R HN 0.599 nan 8.270 nan 0.000 0.461 706 I N 6.820 127.421 120.570 0.053 0.000 2.304 706 I HA 0.216 4.386 4.170 0.001 0.000 0.291 706 I C 0.003 176.170 176.117 0.084 0.000 1.018 706 I CA -0.462 60.868 61.300 0.051 0.000 1.260 706 I CB 1.102 39.132 38.000 0.049 0.000 1.390 706 I HN 0.452 nan 8.210 nan 0.000 0.475 707 L N 6.061 127.332 121.223 0.081 0.000 2.295 707 L HA 0.443 4.783 4.340 0.001 0.000 0.285 707 L C 0.495 177.453 176.870 0.146 0.000 1.035 707 L CA -0.902 54.032 54.840 0.157 0.000 0.806 707 L CB 1.089 43.232 42.059 0.141 0.000 1.214 707 L HN 0.442 nan 8.230 nan 0.000 0.426 708 K N 1.675 122.153 120.400 0.130 0.000 2.448 708 K HA -0.041 4.280 4.320 0.001 0.000 0.278 708 K C 1.072 177.621 176.600 -0.085 0.000 1.009 708 K CA 0.102 56.411 56.287 0.036 0.000 0.995 708 K CB 0.728 33.246 32.500 0.031 0.000 0.917 708 K HN 0.564 nan 8.250 nan 0.000 0.481 709 E N 1.374 121.484 120.200 -0.149 0.000 2.267 709 E HA -0.195 4.156 4.350 0.001 0.000 0.197 709 E C 1.225 177.546 176.600 -0.464 0.000 0.998 709 E CA 1.603 57.798 56.400 -0.340 0.000 0.830 709 E CB 0.237 29.830 29.700 -0.178 0.000 0.751 709 E HN 0.788 nan 8.360 nan 0.000 0.491 710 T N -2.354 112.041 114.554 -0.264 0.000 2.995 710 T HA -0.042 4.308 4.350 0.001 0.000 0.269 710 T C 1.394 175.972 174.700 -0.204 0.000 1.091 710 T CA 0.710 62.688 62.100 -0.204 0.000 1.128 710 T CB -0.079 68.730 68.868 -0.098 0.000 0.891 710 T HN 0.140 nan 8.240 nan 0.000 0.492 711 E N 0.600 120.688 120.200 -0.188 0.000 2.516 711 E HA 0.192 4.542 4.350 0.001 0.000 0.199 711 E C -0.402 176.375 176.600 0.295 0.000 1.069 711 E CA 0.128 56.590 56.400 0.103 0.000 0.876 711 E CB -0.088 29.863 29.700 0.418 0.000 0.843 711 E HN 0.850 nan 8.360 nan 0.000 0.530 712 F N -1.119 118.936 119.950 0.175 0.000 2.688 712 F HA 0.342 4.870 4.527 0.000 0.000 0.308 712 F C -1.410 174.425 175.800 0.059 0.000 1.117 712 F CA -1.727 56.370 58.000 0.163 0.000 0.976 712 F CB 0.756 39.913 39.000 0.263 0.000 1.291 712 F HN -0.386 nan 8.300 nan 0.000 0.439 713 K N 2.347 122.912 120.400 0.274 0.000 2.201 713 K HA 0.423 4.744 4.320 0.001 0.000 0.278 713 K C -0.725 175.990 176.600 0.192 0.000 1.027 713 K CA -0.625 55.758 56.287 0.158 0.000 0.909 713 K CB 1.940 34.483 32.500 0.070 0.000 1.062 713 K HN 0.819 nan 8.250 nan 0.000 0.465 714 K N 1.809 122.269 120.400 0.100 0.000 2.286 714 K HA 0.114 4.435 4.320 0.001 0.000 0.256 714 K C 0.614 177.205 176.600 -0.014 0.000 0.999 714 K CA 0.162 56.430 56.287 -0.031 0.000 0.908 714 K CB 0.429 32.759 32.500 -0.283 0.000 0.981 714 K HN 0.617 nan 8.250 nan 0.000 0.500 715 I N -0.320 120.253 120.570 0.004 0.000 5.144 715 I HA 0.033 4.203 4.170 0.001 0.000 0.368 715 I C -0.963 175.185 176.117 0.051 0.000 1.191 715 I CA -0.036 61.282 61.300 0.029 0.000 1.502 715 I CB 0.736 38.757 38.000 0.035 0.000 1.842 715 I HN 0.554 nan 8.210 nan 0.000 0.617 716 K N 0.296 120.760 120.400 0.105 0.000 2.768 716 K HA 0.222 4.542 4.320 0.001 0.000 0.283 716 K C -1.541 175.200 176.600 0.235 0.000 1.078 716 K CA -0.581 55.785 56.287 0.132 0.000 0.920 716 K CB 1.196 33.738 32.500 0.070 0.000 1.390 716 K HN -0.230 nan 8.250 nan 0.000 0.389 717 V N 5.096 125.134 119.914 0.206 0.000 2.924 717 V HA 0.143 4.264 4.120 0.001 0.000 0.305 717 V C 1.030 177.125 176.094 0.001 0.000 1.073 717 V CA 0.241 62.592 62.300 0.085 0.000 1.098 717 V CB 1.120 32.951 31.823 0.013 0.000 1.000 717 V HN 0.731 nan 8.190 nan 0.000 0.484 718 L N 2.006 123.182 121.223 -0.080 0.000 2.730 718 L HA 0.362 4.703 4.340 0.001 0.000 0.236 718 L C 0.548 177.368 176.870 -0.084 0.000 1.061 718 L CA 0.482 55.286 54.840 -0.061 0.000 0.898 718 L CB 0.889 42.916 42.059 -0.052 0.000 1.270 718 L HN 0.630 nan 8.230 nan 0.000 0.500 719 S N -0.580 115.038 115.700 -0.136 0.000 2.584 719 S HA 0.439 4.909 4.470 0.001 0.000 0.282 719 S C -0.537 173.964 174.600 -0.165 0.000 1.138 719 S CA -0.507 57.618 58.200 -0.125 0.000 0.987 719 S CB 1.198 64.334 63.200 -0.106 0.000 1.137 719 S HN 0.255 nan 8.310 nan 0.000 0.457 720 S N 3.257 118.873 115.700 -0.139 0.000 2.837 720 S HA 1.024 5.495 4.470 0.001 0.000 0.314 720 S C 0.969 175.490 174.600 -0.131 0.000 1.098 720 S CA 0.250 58.366 58.200 -0.141 0.000 0.903 720 S CB 0.751 63.878 63.200 -0.121 0.000 1.310 720 S HN 2.120 nan 8.310 nan 0.000 0.581 721 G N 1.172 109.900 108.800 -0.120 0.000 2.523 721 G HA2 0.135 4.095 3.960 0.001 0.000 0.271 721 G HA3 0.135 4.095 3.960 0.001 0.000 0.271 721 G C 0.940 175.711 174.900 -0.216 0.000 1.146 721 G CA 1.615 46.630 45.100 -0.141 0.000 0.961 721 G HN 2.269 nan 8.290 nan 0.000 0.549 722 A N -1.717 120.894 122.820 -0.348 0.000 5.197 722 A HA -0.106 4.215 4.320 0.001 0.000 0.365 722 A C 1.274 178.368 177.584 -0.817 0.000 1.556 722 A CA 4.124 55.715 52.037 -0.744 0.000 0.700 722 A CB -1.348 17.256 19.000 -0.660 0.000 1.540 722 A HN 2.056 nan 8.150 nan 0.000 0.422 723 F N 0.171 120.100 119.950 -0.035 0.000 2.815 723 F HA 0.574 5.102 4.527 0.001 0.000 0.323 723 F C 0.945 176.725 175.800 -0.033 0.000 1.151 723 F CA 0.303 58.286 58.000 -0.030 0.000 1.191 723 F CB 0.631 39.613 39.000 -0.029 0.000 1.069 723 F HN 1.445 nan 8.300 nan 0.000 0.514 724 G N -0.166 108.648 108.800 0.025 0.000 2.345 724 G HA2 0.279 4.239 3.960 0.001 0.000 0.310 724 G HA3 0.279 4.239 3.960 0.001 0.000 0.310 724 G C -0.878 173.970 174.900 -0.086 0.000 1.476 724 G CA -1.030 44.066 45.100 -0.008 0.000 0.978 724 G HN -0.057 nan 8.290 nan 0.000 0.656 725 T N -0.623 113.850 114.554 -0.135 0.000 2.899 725 T HA 0.559 4.910 4.350 0.001 0.000 0.295 725 T C 0.058 174.569 174.700 -0.316 0.000 1.033 725 T CA -0.359 61.554 62.100 -0.311 0.000 1.084 725 T CB 1.809 70.349 68.868 -0.547 0.000 0.979 725 T HN 0.996 nan 8.240 nan 0.000 0.532 726 V N 2.271 121.950 119.914 -0.392 0.000 2.577 726 V HA 0.418 4.539 4.120 0.001 0.000 0.303 726 V C -1.283 174.600 176.094 -0.352 0.000 1.042 726 V CA -0.968 61.170 62.300 -0.270 0.000 0.872 726 V CB 1.117 32.859 31.823 -0.135 0.000 0.998 726 V HN 0.823 nan 8.190 nan 0.000 0.423 727 Y N 2.347 122.633 120.300 -0.023 0.000 2.496 727 Y HA 0.561 5.111 4.550 0.000 0.000 0.331 727 Y C 0.418 176.299 175.900 -0.031 0.000 1.140 727 Y CA -0.829 57.260 58.100 -0.018 0.000 1.166 727 Y CB 1.365 39.823 38.460 -0.002 0.000 1.249 727 Y HN 0.557 nan 8.280 nan 0.000 0.479 728 K N 0.588 121.084 120.400 0.159 0.000 2.168 728 K HA 0.698 5.018 4.320 0.001 0.000 0.258 728 K C -0.307 176.342 176.600 0.081 0.000 1.010 728 K CA -0.114 56.219 56.287 0.077 0.000 0.929 728 K CB 0.628 33.157 32.500 0.049 0.000 0.998 728 K HN 0.908 nan 8.250 nan 0.000 0.479 729 G N 1.518 110.340 108.800 0.037 0.000 2.547 729 G HA2 0.349 4.309 3.960 0.001 0.000 0.291 729 G HA3 0.349 4.309 3.960 0.001 0.000 0.291 729 G C -1.879 173.050 174.900 0.049 0.000 1.471 729 G CA -0.888 44.237 45.100 0.041 0.000 0.798 729 G HN 0.502 nan 8.290 nan 0.000 0.504 730 L N -0.353 120.929 121.223 0.099 0.000 2.334 730 L HA 0.746 5.086 4.340 0.001 0.000 0.272 730 L C -1.176 175.849 176.870 0.259 0.000 1.020 730 L CA -0.869 54.045 54.840 0.124 0.000 0.812 730 L CB 2.347 44.457 42.059 0.085 0.000 1.264 730 L HN 0.689 nan 8.230 nan 0.000 0.439 731 W N 3.971 125.276 121.300 0.007 0.000 2.830 731 W HA 0.529 5.189 4.660 0.001 0.000 0.335 731 W C -1.683 174.837 176.519 0.001 0.000 1.043 731 W CA -0.955 56.421 57.345 0.052 0.000 1.239 731 W CB 1.039 30.465 29.460 -0.056 0.000 1.378 731 W HN 0.115 nan 8.180 nan 0.000 0.456 732 I N 9.140 129.560 120.570 -0.249 0.000 2.337 732 I HA 0.264 4.435 4.170 0.001 0.000 0.285 732 I C -1.671 173.988 176.117 -0.764 0.000 1.041 732 I CA -2.262 58.744 61.300 -0.491 0.000 1.199 732 I CB 1.217 39.095 38.000 -0.205 0.000 1.370 732 I HN 0.131 nan 8.210 nan 0.000 0.470 733 P HA -0.037 nan 4.420 nan 0.000 0.262 733 P C -0.075 177.029 177.300 -0.327 0.000 1.455 733 P CA -0.211 62.365 63.100 -0.873 0.000 1.217 733 P CB -0.461 30.606 31.700 -1.055 0.000 1.625 734 E N 2.099 122.207 120.200 -0.154 0.000 2.760 734 E HA 0.002 4.352 4.350 0.001 0.000 0.268 734 E C 0.930 177.499 176.600 -0.052 0.000 0.935 734 E CA 0.223 56.576 56.400 -0.078 0.000 0.960 734 E CB -0.676 29.015 29.700 -0.014 0.000 0.931 734 E HN 0.582 nan 8.360 nan 0.000 0.483 735 G N 2.853 111.622 108.800 -0.052 0.000 2.136 735 G HA2 -0.312 3.649 3.960 0.001 0.000 0.242 735 G HA3 -0.312 3.649 3.960 0.001 0.000 0.242 735 G C 0.431 175.309 174.900 -0.035 0.000 0.989 735 G CA 0.416 45.498 45.100 -0.031 0.000 0.682 735 G HN 0.666 nan 8.290 nan 0.000 0.522 736 E N -0.574 119.586 120.200 -0.068 0.000 2.500 736 E HA 0.125 4.475 4.350 0.001 0.000 0.217 736 E C 0.959 177.514 176.600 -0.075 0.000 0.848 736 E CA 0.219 56.584 56.400 -0.057 0.000 1.217 736 E CB 0.527 30.201 29.700 -0.044 0.000 1.217 736 E HN 0.793 nan 8.360 nan 0.000 0.573 737 K N 0.926 121.264 120.400 -0.104 0.000 3.619 737 K HA -0.142 4.178 4.320 0.001 0.000 0.275 737 K C -1.095 175.444 176.600 -0.102 0.000 0.993 737 K CA 0.747 56.978 56.287 -0.093 0.000 0.787 737 K CB -2.242 30.223 32.500 -0.057 0.000 1.431 737 K HN 0.062 nan 8.250 nan 0.000 0.451 738 V N -1.641 118.176 119.914 -0.163 0.000 2.817 738 V HA 0.579 4.700 4.120 0.001 0.000 0.303 738 V C -0.540 175.411 176.094 -0.239 0.000 1.151 738 V CA -1.117 61.077 62.300 -0.176 0.000 0.929 738 V CB 1.867 33.579 31.823 -0.184 0.000 1.030 738 V HN 0.376 nan 8.190 nan 0.000 0.427 739 K N 4.759 125.063 120.400 -0.160 0.000 2.110 739 K HA 0.762 5.082 4.320 0.001 0.000 0.263 739 K C -1.023 175.502 176.600 -0.125 0.000 0.975 739 K CA -0.731 55.473 56.287 -0.139 0.000 0.895 739 K CB 2.115 34.574 32.500 -0.068 0.000 1.060 739 K HN 0.717 nan 8.250 nan 0.000 0.448 740 I N 3.765 124.289 120.570 -0.076 0.000 2.503 740 I HA 0.207 4.378 4.170 0.001 0.000 0.282 740 I C -2.575 173.580 176.117 0.063 0.000 1.059 740 I CA -2.430 58.864 61.300 -0.010 0.000 1.081 740 I CB 1.839 39.841 38.000 0.004 0.000 1.210 740 I HN 0.219 nan 8.210 nan 0.000 0.450 741 P HA 0.120 nan 4.420 nan 0.000 0.267 741 P C -0.514 176.800 177.300 0.023 0.000 1.205 741 P CA 0.048 63.163 63.100 0.025 0.000 0.765 741 P CB 0.855 32.559 31.700 0.006 0.000 0.828 742 V N 0.205 120.122 119.914 0.004 0.000 3.078 742 V HA 0.949 5.070 4.120 0.001 0.000 0.311 742 V C -0.783 175.277 176.094 -0.056 0.000 1.138 742 V CA -1.509 60.764 62.300 -0.044 0.000 1.007 742 V CB 1.886 33.636 31.823 -0.121 0.000 1.045 742 V HN 0.539 nan 8.190 nan 0.000 0.432 743 A N 2.586 125.364 122.820 -0.069 0.000 2.320 743 A HA 0.970 5.290 4.320 0.001 0.000 0.334 743 A C -0.704 176.826 177.584 -0.090 0.000 1.147 743 A CA -0.791 51.215 52.037 -0.053 0.000 0.820 743 A CB 1.087 20.066 19.000 -0.035 0.000 1.218 743 A HN 1.060 nan 8.150 nan 0.000 0.482 744 I N 1.218 121.766 120.570 -0.037 0.000 2.517 744 I HA 0.245 4.416 4.170 0.001 0.000 0.280 744 I C -0.242 175.893 176.117 0.030 0.000 1.061 744 I CA -0.231 61.049 61.300 -0.034 0.000 1.091 744 I CB 1.792 39.779 38.000 -0.020 0.000 1.205 744 I HN 0.679 nan 8.210 nan 0.000 0.459 745 K N 6.290 126.686 120.400 -0.008 0.000 2.310 745 K HA 0.269 4.590 4.320 0.001 0.000 0.290 745 K C -0.205 176.411 176.600 0.027 0.000 1.077 745 K CA -0.195 56.089 56.287 -0.006 0.000 0.922 745 K CB 0.735 33.231 32.500 -0.007 0.000 1.057 745 K HN 0.602 nan 8.250 nan 0.000 0.479 746 E N 4.968 125.196 120.200 0.046 0.000 2.166 746 E HA 0.177 4.527 4.350 0.001 0.000 0.275 746 E C -1.025 175.605 176.600 0.049 0.000 0.941 746 E CA -1.010 55.441 56.400 0.084 0.000 0.784 746 E CB 0.889 30.704 29.700 0.192 0.000 1.115 746 E HN 0.515 nan 8.360 nan 0.000 0.399 747 L N 4.170 125.425 121.223 0.053 0.000 2.439 747 L HA 0.209 4.549 4.340 0.001 0.000 0.269 747 L C 0.078 176.978 176.870 0.050 0.000 1.179 747 L CA 0.106 54.975 54.840 0.049 0.000 0.828 747 L CB 0.552 42.638 42.059 0.043 0.000 1.106 747 L HN 0.625 nan 8.230 nan 0.000 0.467 748 R N 3.968 124.498 120.500 0.051 0.000 2.489 748 R HA -0.122 4.218 4.340 0.001 0.000 0.287 748 R C 0.938 177.264 176.300 0.043 0.000 0.902 748 R CA 0.017 56.144 56.100 0.045 0.000 1.136 748 R CB 0.003 30.335 30.300 0.054 0.000 0.872 748 R HN 0.646 nan 8.270 nan 0.000 0.421 749 E N 2.285 122.511 120.200 0.043 0.000 2.114 749 E HA -0.194 4.157 4.350 0.001 0.000 0.199 749 E C 0.699 177.319 176.600 0.034 0.000 1.008 749 E CA 1.622 58.048 56.400 0.042 0.000 0.810 749 E CB -0.194 29.531 29.700 0.042 0.000 0.739 749 E HN 0.711 nan 8.360 nan 0.000 0.456 750 A N 2.119 124.958 122.820 0.030 0.000 2.701 750 A HA 0.010 4.330 4.320 0.001 0.000 0.290 750 A C 0.410 178.010 177.584 0.027 0.000 1.534 750 A CA 0.513 52.566 52.037 0.026 0.000 1.137 750 A CB -0.745 18.271 19.000 0.026 0.000 1.032 750 A HN -0.023 nan 8.150 nan 0.000 0.580 751 T N 2.500 117.069 114.554 0.024 0.000 3.341 751 T HA 0.189 4.539 4.350 0.001 0.000 0.234 751 T C 0.936 175.646 174.700 0.016 0.000 0.890 751 T CA 0.496 62.610 62.100 0.023 0.000 0.952 751 T CB -0.950 67.933 68.868 0.024 0.000 1.146 751 T HN 0.897 nan 8.240 nan 0.000 0.591 752 S N 1.596 117.305 115.700 0.015 0.000 2.558 752 S HA 0.063 4.533 4.470 0.001 0.000 0.287 752 S C -1.587 173.016 174.600 0.005 0.000 1.321 752 S CA -0.888 57.317 58.200 0.009 0.000 1.048 752 S CB 0.789 63.994 63.200 0.008 0.000 0.844 752 S HN 0.099 nan 8.310 nan 0.000 0.512 753 P HA -0.049 nan 4.420 nan 0.000 0.218 753 P C 1.382 178.677 177.300 -0.009 0.000 1.149 753 P CA 0.841 63.939 63.100 -0.003 0.000 0.817 753 P CB 0.022 31.720 31.700 -0.004 0.000 0.785 754 K N 0.673 121.067 120.400 -0.011 0.000 2.286 754 K HA -0.114 4.206 4.320 0.001 0.000 0.203 754 K C 1.641 178.227 176.600 -0.023 0.000 1.045 754 K CA 1.873 58.149 56.287 -0.018 0.000 0.935 754 K CB -1.102 31.388 32.500 -0.017 0.000 0.737 754 K HN 0.079 nan 8.250 nan 0.000 0.460 755 A N 0.059 122.871 122.820 -0.014 0.000 1.920 755 A HA 0.069 4.389 4.320 0.001 0.000 0.209 755 A C 1.839 179.417 177.584 -0.010 0.000 1.229 755 A CA 0.574 52.602 52.037 -0.014 0.000 0.671 755 A CB -0.331 18.670 19.000 0.002 0.000 0.886 755 A HN 0.369 nan 8.150 nan 0.000 0.461 756 N N 0.623 119.322 118.700 -0.002 0.000 2.184 756 N HA -0.235 4.506 4.740 0.001 0.000 0.190 756 N C 1.831 177.338 175.510 -0.004 0.000 1.011 756 N CA 1.579 54.630 53.050 0.002 0.000 0.867 756 N CB -0.172 38.318 38.487 0.005 0.000 0.993 756 N HN 0.540 nan 8.380 nan 0.000 0.433 757 K N 2.085 122.476 120.400 -0.014 0.000 2.009 757 K HA -0.175 4.145 4.320 0.001 0.000 0.210 757 K C 1.401 177.986 176.600 -0.025 0.000 1.049 757 K CA 1.431 57.704 56.287 -0.023 0.000 0.929 757 K CB -0.119 32.361 32.500 -0.033 0.000 0.714 757 K HN 0.320 nan 8.250 nan 0.000 0.440 758 E N 0.430 120.611 120.200 -0.031 0.000 2.106 758 E HA -0.147 4.203 4.350 0.001 0.000 0.192 758 E C 2.218 178.807 176.600 -0.018 0.000 0.984 758 E CA 1.033 57.409 56.400 -0.040 0.000 0.806 758 E CB -0.251 29.411 29.700 -0.064 0.000 0.750 758 E HN 0.415 nan 8.360 nan 0.000 0.458 759 I N 0.798 121.365 120.570 -0.005 0.000 2.617 759 I HA -0.152 4.018 4.170 0.001 0.000 0.256 759 I C 2.002 178.134 176.117 0.024 0.000 1.167 759 I CA 0.514 61.821 61.300 0.013 0.000 1.469 759 I CB 0.218 38.228 38.000 0.017 0.000 1.098 759 I HN 0.029 nan 8.210 nan 0.000 0.436 760 L N 0.217 121.452 121.223 0.020 0.000 2.156 760 L HA -0.143 4.197 4.340 0.001 0.000 0.208 760 L C 2.027 178.930 176.870 0.056 0.000 1.095 760 L CA 0.745 55.606 54.840 0.034 0.000 0.770 760 L CB -0.663 41.410 42.059 0.023 0.000 0.914 760 L HN 0.226 nan 8.230 nan 0.000 0.439 761 D N 0.253 120.671 120.400 0.029 0.000 2.092 761 D HA -0.204 4.437 4.640 0.001 0.000 0.193 761 D C 1.996 178.352 176.300 0.093 0.000 0.994 761 D CA 1.197 55.218 54.000 0.035 0.000 0.828 761 D CB -0.016 40.776 40.800 -0.013 0.000 0.963 761 D HN 0.333 nan 8.370 nan 0.000 0.450 762 E N 0.640 120.885 120.200 0.076 0.000 2.035 762 E HA -0.260 4.090 4.350 0.001 0.000 0.204 762 E C 2.123 178.779 176.600 0.094 0.000 1.025 762 E CA 1.313 57.779 56.400 0.110 0.000 0.835 762 E CB -0.195 29.562 29.700 0.094 0.000 0.764 762 E HN 0.192 nan 8.360 nan 0.000 0.457 763 A N 0.898 123.760 122.820 0.071 0.000 1.915 763 A HA -0.285 4.036 4.320 0.001 0.000 0.220 763 A C 2.070 179.676 177.584 0.037 0.000 1.198 763 A CA 2.122 54.184 52.037 0.042 0.000 0.647 763 A CB -1.170 17.853 19.000 0.038 0.000 0.825 763 A HN 0.506 nan 8.150 nan 0.000 0.456 764 Y N 0.570 120.849 120.300 -0.035 0.000 2.081 764 Y HA -0.242 4.308 4.550 0.001 0.000 0.280 764 Y C 2.409 178.261 175.900 -0.080 0.000 1.163 764 Y CA 2.329 60.401 58.100 -0.047 0.000 1.135 764 Y CB -0.508 37.927 38.460 -0.040 0.000 0.970 764 Y HN 0.079 nan 8.280 nan 0.000 0.498 765 V N 0.531 120.470 119.914 0.041 0.000 2.261 765 V HA -0.374 3.747 4.120 0.001 0.000 0.246 765 V C 2.498 178.384 176.094 -0.347 0.000 1.047 765 V CA 2.364 64.559 62.300 -0.175 0.000 1.015 765 V CB -0.740 30.978 31.823 -0.174 0.000 0.642 765 V HN 0.534 nan 8.190 nan 0.000 0.446 766 M N -0.136 119.313 119.600 -0.252 0.000 2.202 766 M HA -0.180 4.300 4.480 0.001 0.000 0.262 766 M C 2.031 178.239 176.300 -0.153 0.000 1.063 766 M CA 1.992 57.181 55.300 -0.184 0.000 1.097 766 M CB -0.309 32.299 32.600 0.013 0.000 1.382 766 M HN 0.388 nan 8.290 nan 0.000 0.413 767 A N -1.788 120.933 122.820 -0.164 0.000 2.066 767 A HA -0.053 4.267 4.320 0.001 0.000 0.218 767 A C 2.057 179.520 177.584 -0.202 0.000 1.157 767 A CA 1.673 53.613 52.037 -0.163 0.000 0.670 767 A CB -0.348 18.552 19.000 -0.167 0.000 0.804 767 A HN 0.452 nan 8.150 nan 0.000 0.453 768 S N -1.190 114.349 115.700 -0.268 0.000 2.540 768 S HA 0.252 4.723 4.470 0.001 0.000 0.218 768 S C 0.562 175.089 174.600 -0.123 0.000 0.977 768 S CA 0.353 58.404 58.200 -0.249 0.000 0.918 768 S CB -0.026 62.949 63.200 -0.374 0.000 0.806 768 S HN 0.616 nan 8.310 nan 0.000 0.496 769 V N -0.171 119.679 119.914 -0.107 0.000 2.850 769 V HA 0.816 4.936 4.120 0.001 0.000 0.315 769 V C -1.283 174.798 176.094 -0.022 0.000 1.064 769 V CA -0.745 61.566 62.300 0.020 0.000 0.979 769 V CB 2.033 33.845 31.823 -0.019 0.000 1.039 769 V HN -0.020 nan 8.190 nan 0.000 0.452 770 D N 2.490 122.848 120.400 -0.069 0.000 2.351 770 D HA 0.350 4.990 4.640 0.001 0.000 0.235 770 D C -1.422 174.607 176.300 -0.452 0.000 1.331 770 D CA -0.055 53.841 54.000 -0.173 0.000 0.959 770 D CB 0.490 41.258 40.800 -0.053 0.000 1.432 770 D HN 0.881 nan 8.370 nan 0.000 0.544 771 N N 3.316 121.738 118.700 -0.464 0.000 2.371 771 N HA 0.226 4.966 4.740 0.001 0.000 0.280 771 N C -2.360 172.992 175.510 -0.264 0.000 1.084 771 N CA -1.502 51.251 53.050 -0.496 0.000 0.892 771 N CB 2.642 40.603 38.487 -0.877 0.000 1.653 771 N HN -0.092 nan 8.380 nan 0.000 0.480 772 P HA -0.086 nan 4.420 nan 0.000 0.225 772 P C -0.250 176.776 177.300 -0.458 0.000 1.141 772 P CA 1.317 64.226 63.100 -0.317 0.000 0.774 772 P CB -0.064 31.369 31.700 -0.445 0.000 0.760 773 H N -2.189 116.873 119.070 -0.013 0.000 2.676 773 H HA 0.412 4.968 4.556 0.001 0.000 0.238 773 H C -0.580 174.759 175.328 0.018 0.000 1.276 773 H CA -0.189 55.861 56.048 0.004 0.000 0.983 773 H CB 0.733 30.471 29.762 -0.041 0.000 2.000 773 H HN -0.127 nan 8.280 nan 0.000 0.584 774 V N 1.147 121.111 119.914 0.084 0.000 2.653 774 V HA 0.034 4.155 4.120 0.001 0.000 0.298 774 V C 0.273 176.442 176.094 0.126 0.000 1.097 774 V CA -0.776 61.608 62.300 0.141 0.000 0.908 774 V CB 2.029 33.905 31.823 0.089 0.000 1.024 774 V HN 0.428 nan 8.190 nan 0.000 0.435 775 C N 5.558 124.976 119.300 0.196 0.000 2.662 775 C HA 0.211 4.671 4.460 0.001 0.000 0.402 775 C C 1.020 176.099 174.990 0.148 0.000 1.397 775 C CA 0.081 59.191 59.018 0.153 0.000 1.575 775 C CB -1.108 26.721 27.740 0.149 0.000 2.406 775 C HN 0.852 nan 8.230 nan 0.000 0.609 776 R N 2.780 123.314 120.500 0.055 0.000 2.457 776 R HA 0.519 4.859 4.340 0.001 0.000 0.284 776 R C -0.393 175.910 176.300 0.006 0.000 1.024 776 R CA -0.834 55.272 56.100 0.011 0.000 1.025 776 R CB 0.595 30.885 30.300 -0.017 0.000 1.063 776 R HN 0.658 nan 8.270 nan 0.000 0.493 777 L N 4.821 126.032 121.223 -0.020 0.000 2.360 777 L HA 0.113 4.454 4.340 0.001 0.000 0.276 777 L C 0.504 177.341 176.870 -0.054 0.000 1.121 777 L CA 0.483 55.299 54.840 -0.040 0.000 0.845 777 L CB 0.884 42.913 42.059 -0.050 0.000 1.143 777 L HN 0.814 nan 8.230 nan 0.000 0.452 778 L N 4.472 125.636 121.223 -0.098 0.000 2.162 778 L HA 0.349 4.690 4.340 0.001 0.000 0.205 778 L C 1.059 177.820 176.870 -0.180 0.000 1.086 778 L CA 0.731 55.496 54.840 -0.126 0.000 0.778 778 L CB -0.419 41.496 42.059 -0.240 0.000 0.928 778 L HN 0.876 nan 8.230 nan 0.000 0.446 779 G N -0.574 108.093 108.800 -0.222 0.000 2.328 779 G HA2 0.410 4.371 3.960 0.001 0.000 0.295 779 G HA3 0.410 4.371 3.960 0.001 0.000 0.295 779 G C -1.751 173.052 174.900 -0.163 0.000 1.413 779 G CA -0.404 44.589 45.100 -0.178 0.000 0.817 779 G HN 0.044 nan 8.290 nan 0.000 0.546 780 I N -2.761 117.757 120.570 -0.085 0.000 3.206 780 I HA 0.927 5.097 4.170 0.001 0.000 0.313 780 I C -0.653 175.463 176.117 -0.001 0.000 1.103 780 I CA -1.284 59.985 61.300 -0.050 0.000 0.985 780 I CB 2.303 40.292 38.000 -0.019 0.000 1.240 780 I HN 0.780 nan 8.210 nan 0.000 0.464 781 C N 3.162 122.481 119.300 0.033 0.000 2.535 781 C HA 0.555 5.016 4.460 0.001 0.000 0.319 781 C C 0.505 175.533 174.990 0.062 0.000 1.171 781 C CA -0.518 58.549 59.018 0.081 0.000 1.394 781 C CB 1.149 28.997 27.740 0.180 0.000 1.990 781 C HN 0.902 nan 8.230 nan 0.000 0.466 782 L N 4.550 125.803 121.223 0.050 0.000 2.700 782 L HA 0.086 4.427 4.340 0.001 0.000 0.234 782 L C 2.409 179.298 176.870 0.031 0.000 1.156 782 L CA 0.688 55.550 54.840 0.036 0.000 0.946 782 L CB -0.241 41.835 42.059 0.029 0.000 1.216 782 L HN 1.041 nan 8.230 nan 0.000 0.493 783 T N -1.517 113.058 114.554 0.034 0.000 2.397 783 T HA -0.338 4.013 4.350 0.001 0.000 0.236 783 T C 1.405 176.118 174.700 0.021 0.000 1.393 783 T CA 2.555 64.669 62.100 0.023 0.000 1.148 783 T CB -0.450 68.435 68.868 0.028 0.000 0.853 783 T HN 0.441 nan 8.240 nan 0.000 0.419 784 S N -1.633 114.083 115.700 0.028 0.000 2.842 784 S HA 0.257 4.727 4.470 0.001 0.000 0.240 784 S C 0.528 175.145 174.600 0.029 0.000 0.987 784 S CA 0.145 58.359 58.200 0.024 0.000 1.166 784 S CB 0.259 63.472 63.200 0.022 0.000 0.942 784 S HN 0.796 nan 8.310 nan 0.000 0.403 785 T N 3.146 117.723 114.554 0.038 0.000 2.867 785 T HA 0.630 4.980 4.350 0.001 0.000 0.282 785 T C -0.366 174.363 174.700 0.047 0.000 1.000 785 T CA -0.290 61.836 62.100 0.042 0.000 1.042 785 T CB 1.055 69.954 68.868 0.052 0.000 0.973 785 T HN 0.137 nan 8.240 nan 0.000 0.465 786 V N 5.793 125.732 119.914 0.041 0.000 2.572 786 V HA 0.209 4.329 4.120 0.001 0.000 0.291 786 V C 0.402 176.524 176.094 0.048 0.000 1.039 786 V CA 0.023 62.347 62.300 0.040 0.000 1.055 786 V CB 0.905 32.746 31.823 0.029 0.000 0.969 786 V HN 0.834 nan 8.190 nan 0.000 0.482 787 Q N 3.804 123.635 119.800 0.053 0.000 2.347 787 Q HA 0.444 4.785 4.340 0.001 0.000 0.262 787 Q C -1.114 174.886 176.000 -0.001 0.000 0.980 787 Q CA -0.820 55.013 55.803 0.049 0.000 0.867 787 Q CB 1.833 30.627 28.738 0.094 0.000 1.242 787 Q HN 0.523 nan 8.270 nan 0.000 0.453 788 L N 3.869 125.083 121.223 -0.015 0.000 2.361 788 L HA 0.228 4.568 4.340 0.001 0.000 0.278 788 L C -0.758 176.046 176.870 -0.110 0.000 1.113 788 L CA 0.284 55.095 54.840 -0.049 0.000 0.849 788 L CB 0.554 42.602 42.059 -0.018 0.000 1.155 788 L HN 0.538 nan 8.230 nan 0.000 0.452 789 I N 3.521 123.981 120.570 -0.184 0.000 2.359 789 I HA 0.353 4.523 4.170 0.001 0.000 0.284 789 I C 0.403 176.381 176.117 -0.232 0.000 1.018 789 I CA 0.132 61.255 61.300 -0.295 0.000 1.173 789 I CB 1.564 39.232 38.000 -0.552 0.000 1.326 789 I HN 0.524 nan 8.210 nan 0.000 0.462 790 T N 4.419 118.879 114.554 -0.157 0.000 2.927 790 T HA 0.324 4.674 4.350 0.001 0.000 0.286 790 T C -0.510 174.141 174.700 -0.081 0.000 1.040 790 T CA -0.559 61.484 62.100 -0.095 0.000 1.010 790 T CB 1.301 70.147 68.868 -0.037 0.000 1.177 790 T HN 0.602 nan 8.240 nan 0.000 0.546 791 Q N 2.035 121.815 119.800 -0.034 0.000 2.330 791 Q HA 0.152 4.492 4.340 0.001 0.000 0.279 791 Q C -0.587 175.403 176.000 -0.017 0.000 1.024 791 Q CA -0.468 55.328 55.803 -0.011 0.000 0.900 791 Q CB 0.429 29.171 28.738 0.007 0.000 1.221 791 Q HN 0.589 nan 8.270 nan 0.000 0.396 792 L N 5.023 126.237 121.223 -0.015 0.000 2.462 792 L HA 0.076 4.417 4.340 0.001 0.000 0.272 792 L C -0.603 176.259 176.870 -0.013 0.000 1.166 792 L CA 0.679 55.508 54.840 -0.018 0.000 0.880 792 L CB 0.550 42.599 42.059 -0.018 0.000 1.142 792 L HN 0.697 nan 8.230 nan 0.000 0.473 793 M N 8.177 127.770 119.600 -0.011 0.000 2.385 793 M HA 0.302 4.782 4.480 0.001 0.000 0.346 793 M C -1.744 174.557 176.300 0.002 0.000 1.180 793 M CA -2.491 52.811 55.300 0.004 0.000 1.154 793 M CB 0.368 32.968 32.600 -0.000 0.000 1.251 793 M HN 0.347 nan 8.290 nan 0.000 0.430 794 P HA -0.060 nan 4.420 nan 0.000 0.215 794 P C 1.096 178.279 177.300 -0.194 0.000 1.157 794 P CA 1.419 64.432 63.100 -0.145 0.000 0.863 794 P CB -0.028 31.519 31.700 -0.255 0.000 0.787 795 F N -0.625 119.309 119.950 -0.027 0.000 2.722 795 F HA 0.156 4.684 4.527 0.001 0.000 0.298 795 F C 1.832 177.624 175.800 -0.013 0.000 1.175 795 F CA 0.981 58.972 58.000 -0.016 0.000 1.462 795 F CB -1.165 37.766 39.000 -0.115 0.000 1.111 795 F HN 0.022 nan 8.300 nan 0.000 0.592 796 G N -0.450 108.394 108.800 0.073 0.000 2.642 796 G HA2 -0.298 3.663 3.960 0.001 0.000 0.231 796 G HA3 -0.298 3.663 3.960 0.001 0.000 0.231 796 G C -0.163 174.741 174.900 0.007 0.000 1.338 796 G CA -0.939 44.184 45.100 0.039 0.000 0.883 796 G HN 0.684 nan 8.290 nan 0.000 0.570 797 C N -0.723 118.579 119.300 0.003 0.000 2.534 797 C HA 0.738 5.198 4.460 0.001 0.000 0.385 797 C C 2.088 177.053 174.990 -0.043 0.000 1.264 797 C CA -0.020 58.976 59.018 -0.036 0.000 2.342 797 C CB 0.793 28.516 27.740 -0.028 0.000 2.564 797 C HN 1.302 nan 8.230 nan 0.000 0.603 798 L N 2.012 123.161 121.223 -0.123 0.000 2.046 798 L HA -0.005 4.335 4.340 0.001 0.000 0.208 798 L C 2.119 178.958 176.870 -0.052 0.000 1.077 798 L CA 1.593 56.312 54.840 -0.202 0.000 0.747 798 L CB -1.152 40.701 42.059 -0.343 0.000 0.896 798 L HN 0.901 nan 8.230 nan 0.000 0.432 799 L N -0.218 121.003 121.223 -0.004 0.000 1.956 799 L HA -0.291 4.049 4.340 0.001 0.000 0.216 799 L C 2.225 179.147 176.870 0.086 0.000 1.073 799 L CA 2.132 57.009 54.840 0.061 0.000 0.762 799 L CB -1.312 40.796 42.059 0.081 0.000 0.889 799 L HN 0.326 nan 8.230 nan 0.000 0.433 800 D N -1.794 118.655 120.400 0.081 0.000 2.149 800 D HA -0.293 4.348 4.640 0.001 0.000 0.194 800 D C 2.086 178.465 176.300 0.132 0.000 1.001 800 D CA 1.771 55.829 54.000 0.096 0.000 0.849 800 D CB -0.282 40.568 40.800 0.083 0.000 0.939 800 D HN 0.550 nan 8.370 nan 0.000 0.449 801 Y N 0.944 121.240 120.300 -0.007 0.000 2.163 801 Y HA -0.223 4.327 4.550 0.001 0.000 0.288 801 Y C 2.316 178.238 175.900 0.037 0.000 1.136 801 Y CA 1.796 59.876 58.100 -0.033 0.000 1.147 801 Y CB -0.113 38.233 38.460 -0.190 0.000 0.987 801 Y HN -0.044 nan 8.280 nan 0.000 0.509 802 V N -1.519 118.481 119.914 0.143 0.000 2.667 802 V HA -0.113 4.008 4.120 0.001 0.000 0.252 802 V C 2.126 178.325 176.094 0.173 0.000 1.065 802 V CA 1.576 63.974 62.300 0.164 0.000 1.083 802 V CB -0.670 31.250 31.823 0.162 0.000 0.692 802 V HN 0.267 nan 8.190 nan 0.000 0.468 803 R N 0.882 121.463 120.500 0.134 0.000 2.081 803 R HA -0.147 4.194 4.340 0.001 0.000 0.235 803 R C 2.403 178.756 176.300 0.089 0.000 1.131 803 R CA 1.992 58.165 56.100 0.122 0.000 0.960 803 R CB -0.242 30.119 30.300 0.101 0.000 0.856 803 R HN 0.759 nan 8.270 nan 0.000 0.436 804 E N -0.470 119.777 120.200 0.078 0.000 2.385 804 E HA -0.079 4.271 4.350 0.001 0.000 0.194 804 E C 0.637 177.228 176.600 -0.016 0.000 1.013 804 E CA 0.956 57.384 56.400 0.046 0.000 0.866 804 E CB 0.290 30.039 29.700 0.081 0.000 0.832 804 E HN 0.455 nan 8.360 nan 0.000 0.500 805 H N -0.413 118.550 119.070 -0.179 0.000 2.581 805 H HA 0.251 4.808 4.556 0.001 0.000 0.275 805 H C 0.717 176.030 175.328 -0.024 0.000 1.126 805 H CA -0.278 55.662 56.048 -0.179 0.000 1.097 805 H CB 0.554 30.070 29.762 -0.410 0.000 1.626 805 H HN 0.059 nan 8.280 nan 0.000 0.565 806 K N 0.722 121.214 120.400 0.154 0.000 2.347 806 K HA -0.234 4.087 4.320 0.001 0.000 0.205 806 K C 0.631 177.270 176.600 0.065 0.000 1.033 806 K CA 2.066 58.455 56.287 0.171 0.000 0.934 806 K CB 0.123 32.609 32.500 -0.023 0.000 0.756 806 K HN 0.447 nan 8.250 nan 0.000 0.495 807 D N -1.635 118.785 120.400 0.034 0.000 2.417 807 D HA 0.014 4.655 4.640 0.001 0.000 0.207 807 D C 0.481 176.803 176.300 0.036 0.000 1.075 807 D CA 0.270 54.264 54.000 -0.009 0.000 0.851 807 D CB 0.286 41.057 40.800 -0.047 0.000 0.976 807 D HN 0.128 nan 8.370 nan 0.000 0.505 808 N N 0.195 118.943 118.700 0.079 0.000 2.204 808 N HA 0.226 4.967 4.740 0.001 0.000 0.219 808 N C -0.334 175.232 175.510 0.093 0.000 1.151 808 N CA -0.015 53.081 53.050 0.077 0.000 0.867 808 N CB 1.138 39.671 38.487 0.076 0.000 1.043 808 N HN 0.066 nan 8.380 nan 0.000 0.516 809 I N 0.766 121.438 120.570 0.170 0.000 2.297 809 I HA 0.334 4.504 4.170 0.001 0.000 0.291 809 I C 1.019 177.240 176.117 0.173 0.000 1.033 809 I CA -0.629 60.778 61.300 0.179 0.000 1.253 809 I CB 1.086 39.257 38.000 0.286 0.000 1.396 809 I HN -0.006 nan 8.210 nan 0.000 0.476 810 G N 2.944 111.823 108.800 0.133 0.000 2.522 810 G HA2 0.290 4.250 3.960 0.001 0.000 0.304 810 G HA3 0.290 4.250 3.960 0.001 0.000 0.304 810 G C 0.915 175.836 174.900 0.035 0.000 1.210 810 G CA -0.161 45.006 45.100 0.111 0.000 0.960 810 G HN 0.638 nan 8.290 nan 0.000 0.497 811 S N -0.617 115.093 115.700 0.016 0.000 2.368 811 S HA -0.222 4.248 4.470 0.001 0.000 0.225 811 S C 2.079 176.617 174.600 -0.103 0.000 1.030 811 S CA 1.618 59.803 58.200 -0.024 0.000 0.999 811 S CB -0.453 62.757 63.200 0.016 0.000 0.844 811 S HN 0.516 nan 8.310 nan 0.000 0.459 812 Q N 0.682 120.414 119.800 -0.114 0.000 2.133 812 Q HA -0.156 4.184 4.340 0.001 0.000 0.208 812 Q C 1.704 177.426 176.000 -0.462 0.000 0.991 812 Q CA 2.031 57.691 55.803 -0.239 0.000 0.867 812 Q CB -0.748 27.848 28.738 -0.237 0.000 0.911 812 Q HN 0.753 nan 8.270 nan 0.000 0.417 813 Y N -0.694 119.329 120.300 -0.462 0.000 2.153 813 Y HA -0.085 4.465 4.550 0.001 0.000 0.289 813 Y C 2.034 177.044 175.900 -1.484 0.000 1.127 813 Y CA 1.210 58.744 58.100 -0.942 0.000 1.131 813 Y CB -0.248 37.715 38.460 -0.829 0.000 0.995 813 Y HN 0.070 nan 8.280 nan 0.000 0.505 814 L N -0.621 120.121 121.223 -0.802 0.000 2.012 814 L HA -0.293 4.047 4.340 0.001 0.000 0.210 814 L C 2.289 178.955 176.870 -0.341 0.000 1.073 814 L CA 1.387 55.915 54.840 -0.521 0.000 0.748 814 L CB -0.698 41.207 42.059 -0.256 0.000 0.891 814 L HN 0.266 nan 8.230 nan 0.000 0.431 815 L N -0.669 120.396 121.223 -0.263 0.000 2.141 815 L HA -0.205 4.135 4.340 0.001 0.000 0.209 815 L C 2.271 179.027 176.870 -0.190 0.000 1.094 815 L CA 0.896 55.656 54.840 -0.134 0.000 0.763 815 L CB -0.588 41.455 42.059 -0.027 0.000 0.908 815 L HN 0.368 nan 8.230 nan 0.000 0.437 816 N N -0.632 117.877 118.700 -0.319 0.000 2.142 816 N HA -0.184 4.556 4.740 0.001 0.000 0.186 816 N C 1.563 176.996 175.510 -0.129 0.000 1.023 816 N CA 1.141 54.028 53.050 -0.271 0.000 0.852 816 N CB -0.217 38.036 38.487 -0.391 0.000 0.998 816 N HN 0.306 nan 8.380 nan 0.000 0.424 817 W N 0.986 122.202 121.300 -0.140 0.000 2.363 817 W HA -0.037 4.623 4.660 0.001 0.000 0.296 817 W C 2.332 178.715 176.519 -0.227 0.000 1.212 817 W CA -0.228 57.019 57.345 -0.163 0.000 1.260 817 W CB -1.531 27.855 29.460 -0.123 0.000 1.131 817 W HN 0.095 nan 8.180 nan 0.000 0.530 818 C N -0.184 119.056 119.300 -0.101 0.000 2.413 818 C HA -0.193 4.267 4.460 0.001 0.000 0.277 818 C C 2.872 177.736 174.990 -0.209 0.000 1.228 818 C CA 1.154 59.940 59.018 -0.386 0.000 1.731 818 C CB -1.368 25.741 27.740 -1.051 0.000 2.042 818 C HN 0.116 nan 8.230 nan 0.000 0.468 819 V N 0.396 120.222 119.914 -0.148 0.000 2.287 819 V HA -0.303 3.818 4.120 0.001 0.000 0.248 819 V C 2.471 178.482 176.094 -0.138 0.000 1.053 819 V CA 2.144 64.405 62.300 -0.064 0.000 1.027 819 V CB -0.810 30.985 31.823 -0.046 0.000 0.646 819 V HN 0.636 nan 8.190 nan 0.000 0.447 820 Q N -0.779 118.890 119.800 -0.218 0.000 2.119 820 Q HA -0.099 4.242 4.340 0.001 0.000 0.201 820 Q C 2.201 177.975 176.000 -0.376 0.000 0.972 820 Q CA 1.561 57.038 55.803 -0.544 0.000 0.847 820 Q CB -0.180 28.210 28.738 -0.579 0.000 0.903 820 Q HN 0.612 nan 8.270 nan 0.000 0.433 821 I N 0.578 121.075 120.570 -0.122 0.000 2.252 821 I HA -0.233 3.937 4.170 0.001 0.000 0.245 821 I C 2.442 178.572 176.117 0.023 0.000 1.102 821 I CA 0.846 62.141 61.300 -0.007 0.000 1.385 821 I CB -0.436 37.606 38.000 0.070 0.000 1.064 821 I HN 0.128 nan 8.210 nan 0.000 0.414 822 A N 1.015 123.892 122.820 0.095 0.000 1.908 822 A HA -0.258 4.062 4.320 0.001 0.000 0.218 822 A C 2.341 179.854 177.584 -0.118 0.000 1.181 822 A CA 1.852 53.846 52.037 -0.072 0.000 0.627 822 A CB -0.525 18.474 19.000 -0.002 0.000 0.818 822 A HN 0.314 nan 8.150 nan 0.000 0.445 823 K N -1.018 119.329 120.400 -0.089 0.000 1.991 823 K HA -0.136 4.184 4.320 0.001 0.000 0.212 823 K C 2.219 178.822 176.600 0.004 0.000 1.049 823 K CA 1.285 57.547 56.287 -0.041 0.000 0.932 823 K CB -0.675 31.784 32.500 -0.069 0.000 0.717 823 K HN 0.468 nan 8.250 nan 0.000 0.441 824 G N 1.400 110.195 108.800 -0.008 0.000 2.529 824 G HA2 -0.295 3.665 3.960 0.001 0.000 0.219 824 G HA3 -0.295 3.665 3.960 0.001 0.000 0.219 824 G C 1.432 176.347 174.900 0.024 0.000 1.177 824 G CA 1.136 46.278 45.100 0.070 0.000 0.773 824 G HN 0.112 nan 8.290 nan 0.000 0.573 825 M N 0.528 119.999 119.600 -0.215 0.000 2.175 825 M HA -0.010 4.471 4.480 0.001 0.000 0.264 825 M C 2.222 178.288 176.300 -0.390 0.000 1.063 825 M CA 1.144 56.141 55.300 -0.504 0.000 1.119 825 M CB -1.253 30.495 32.600 -1.420 0.000 1.377 825 M HN 0.364 nan 8.290 nan 0.000 0.415 826 N N 0.194 118.747 118.700 -0.245 0.000 2.084 826 N HA -0.222 4.518 4.740 0.001 0.000 0.190 826 N C 1.718 177.250 175.510 0.038 0.000 1.030 826 N CA 1.435 54.480 53.050 -0.009 0.000 0.849 826 N CB -0.365 38.154 38.487 0.053 0.000 1.012 826 N HN 0.285 nan 8.380 nan 0.000 0.423 827 Y N 1.259 121.545 120.300 -0.023 0.000 2.014 827 Y HA -0.266 4.284 4.550 0.001 0.000 0.272 827 Y C 1.969 177.879 175.900 0.017 0.000 1.164 827 Y CA 2.063 60.167 58.100 0.006 0.000 1.114 827 Y CB -0.607 37.869 38.460 0.027 0.000 0.961 827 Y HN 0.114 nan 8.280 nan 0.000 0.489 828 L N 0.115 121.434 121.223 0.160 0.000 2.051 828 L HA -0.297 4.044 4.340 0.001 0.000 0.214 828 L C 2.520 179.420 176.870 0.050 0.000 1.076 828 L CA 2.068 56.977 54.840 0.115 0.000 0.758 828 L CB -0.926 41.287 42.059 0.257 0.000 0.890 828 L HN 0.423 nan 8.230 nan 0.000 0.433 829 E N 0.565 120.768 120.200 0.005 0.000 2.012 829 E HA -0.267 4.083 4.350 0.001 0.000 0.197 829 E C 1.777 178.249 176.600 -0.213 0.000 1.007 829 E CA 1.784 58.034 56.400 -0.251 0.000 0.816 829 E CB 0.066 29.570 29.700 -0.327 0.000 0.762 829 E HN 0.401 nan 8.360 nan 0.000 0.451 830 D N 0.270 120.556 120.400 -0.189 0.000 2.157 830 D HA -0.207 4.433 4.640 0.001 0.000 0.191 830 D C 1.171 177.351 176.300 -0.199 0.000 1.004 830 D CA 1.138 55.022 54.000 -0.193 0.000 0.854 830 D CB -0.277 40.381 40.800 -0.236 0.000 0.936 830 D HN 0.160 nan 8.370 nan 0.000 0.446 831 R N 0.882 121.209 120.500 -0.287 0.000 3.298 831 R HA 0.166 4.506 4.340 0.001 0.000 0.249 831 R C 0.126 176.406 176.300 -0.034 0.000 1.563 831 R CA -0.233 55.749 56.100 -0.197 0.000 1.378 831 R CB -0.453 29.683 30.300 -0.274 0.000 1.250 831 R HN 0.144 nan 8.270 nan 0.000 0.580 832 R N 0.489 121.008 120.500 0.031 0.000 3.211 832 R HA -0.187 4.153 4.340 0.001 0.000 0.240 832 R C -0.738 175.684 176.300 0.204 0.000 0.915 832 R CA 0.529 56.730 56.100 0.169 0.000 0.621 832 R CB -1.236 29.125 30.300 0.102 0.000 1.008 832 R HN 0.269 nan 8.270 nan 0.000 0.471 833 L N -0.484 120.909 121.223 0.284 0.000 2.362 833 L HA 0.576 4.917 4.340 0.001 0.000 0.271 833 L C -0.294 176.719 176.870 0.239 0.000 1.002 833 L CA -1.021 53.938 54.840 0.199 0.000 0.818 833 L CB 2.206 44.353 42.059 0.147 0.000 1.298 833 L HN -0.195 nan 8.230 nan 0.000 0.420 834 V N 2.357 122.338 119.914 0.112 0.000 2.513 834 V HA 0.248 4.368 4.120 0.001 0.000 0.299 834 V C 0.374 176.596 176.094 0.214 0.000 1.035 834 V CA -0.368 62.012 62.300 0.132 0.000 0.889 834 V CB 1.562 33.391 31.823 0.010 0.000 0.988 834 V HN 0.779 nan 8.190 nan 0.000 0.440 835 H N 4.311 123.507 119.070 0.210 0.000 2.361 835 H HA 0.158 4.715 4.556 0.001 0.000 0.308 835 H C 1.103 176.515 175.328 0.141 0.000 1.053 835 H CA 1.306 57.478 56.048 0.207 0.000 1.377 835 H CB 0.472 30.360 29.762 0.209 0.000 1.434 835 H HN 0.690 nan 8.280 nan 0.000 0.548 836 R N 0.061 120.809 120.500 0.413 0.000 3.872 836 R HA -0.158 4.183 4.340 0.001 0.000 0.341 836 R C -0.854 175.639 176.300 0.321 0.000 1.172 836 R CA 0.930 57.228 56.100 0.330 0.000 0.901 836 R CB -1.619 28.748 30.300 0.112 0.000 1.422 836 R HN 0.347 nan 8.270 nan 0.000 0.523 837 D N -0.719 119.959 120.400 0.464 0.000 3.941 837 D HA 0.058 4.698 4.640 0.001 0.000 0.254 837 D C -1.176 175.146 176.300 0.037 0.000 1.536 837 D CA -0.406 53.741 54.000 0.244 0.000 0.788 837 D CB 0.178 41.086 40.800 0.179 0.000 1.432 837 D HN 0.043 nan 8.370 nan 0.000 0.733 838 L N 1.849 123.026 121.223 -0.076 0.000 2.477 838 L HA 0.618 4.958 4.340 0.001 0.000 0.272 838 L C -0.306 176.580 176.870 0.026 0.000 1.157 838 L CA 0.463 55.203 54.840 -0.167 0.000 0.889 838 L CB 0.292 42.364 42.059 0.023 0.000 1.158 838 L HN 0.255 nan 8.230 nan 0.000 0.473 839 A N 3.971 126.773 122.820 -0.030 0.000 2.582 839 A HA 0.641 4.961 4.320 0.001 0.000 0.297 839 A C 0.518 178.125 177.584 0.039 0.000 1.059 839 A CA -0.164 51.890 52.037 0.029 0.000 0.705 839 A CB 0.351 19.121 19.000 -0.384 0.000 1.279 839 A HN 1.067 nan 8.150 nan 0.000 0.404 840 A N 1.427 124.345 122.820 0.163 0.000 1.997 840 A HA -0.211 4.110 4.320 0.001 0.000 0.221 840 A C 1.983 179.572 177.584 0.008 0.000 1.172 840 A CA 2.245 54.327 52.037 0.075 0.000 0.645 840 A CB -0.547 18.533 19.000 0.133 0.000 0.813 840 A HN 1.211 nan 8.150 nan 0.000 0.454 841 R N -1.071 119.429 120.500 -0.000 0.000 2.189 841 R HA -0.024 4.317 4.340 0.001 0.000 0.218 841 R C 0.275 176.536 176.300 -0.065 0.000 1.074 841 R CA 1.538 57.617 56.100 -0.035 0.000 0.991 841 R CB -0.320 29.939 30.300 -0.067 0.000 0.883 841 R HN 0.346 nan 8.270 nan 0.000 0.457 842 N N 0.594 119.242 118.700 -0.087 0.000 2.238 842 N HA 0.142 4.882 4.740 0.001 0.000 0.222 842 N C -1.135 174.312 175.510 -0.105 0.000 1.133 842 N CA 0.024 53.016 53.050 -0.096 0.000 0.854 842 N CB 1.374 39.800 38.487 -0.102 0.000 1.041 842 N HN -0.042 nan 8.380 nan 0.000 0.510 843 V N 1.806 121.661 119.914 -0.099 0.000 2.459 843 V HA 0.476 4.596 4.120 0.001 0.000 0.295 843 V C 0.099 176.122 176.094 -0.118 0.000 1.029 843 V CA -0.688 61.546 62.300 -0.111 0.000 0.874 843 V CB 1.861 33.603 31.823 -0.135 0.000 0.985 843 V HN -0.029 nan 8.190 nan 0.000 0.438 844 L N 4.587 125.753 121.223 -0.096 0.000 2.298 844 L HA 0.768 5.109 4.340 0.001 0.000 0.268 844 L C -0.731 176.069 176.870 -0.117 0.000 1.010 844 L CA -1.089 53.694 54.840 -0.095 0.000 0.812 844 L CB 1.903 43.934 42.059 -0.047 0.000 1.331 844 L HN 0.292 nan 8.230 nan 0.000 0.450 845 V N 0.436 120.282 119.914 -0.113 0.000 2.407 845 V HA 0.247 4.368 4.120 0.001 0.000 0.291 845 V C 0.573 176.676 176.094 0.015 0.000 1.018 845 V CA -0.586 61.625 62.300 -0.148 0.000 0.842 845 V CB 1.178 32.786 31.823 -0.359 0.000 0.996 845 V HN 0.778 nan 8.190 nan 0.000 0.426 846 K N 3.260 123.686 120.400 0.043 0.000 2.029 846 K HA 0.045 4.365 4.320 0.001 0.000 0.205 846 K C 0.893 177.592 176.600 0.164 0.000 1.042 846 K CA 1.582 57.908 56.287 0.064 0.000 0.949 846 K CB 0.326 32.773 32.500 -0.088 0.000 0.740 846 K HN 0.807 nan 8.250 nan 0.000 0.442 847 T N -2.966 111.627 114.554 0.065 0.000 2.907 847 T HA 0.343 4.693 4.350 0.001 0.000 0.290 847 T C -2.376 172.163 174.700 -0.268 0.000 1.066 847 T CA -1.972 60.072 62.100 -0.093 0.000 1.012 847 T CB 1.667 70.556 68.868 0.034 0.000 1.184 847 T HN -0.174 nan 8.240 nan 0.000 0.522 848 P HA -0.135 nan 4.420 nan 0.000 0.218 848 P C 1.055 178.610 177.300 0.424 0.000 1.146 848 P CA 1.154 64.133 63.100 -0.202 0.000 0.820 848 P CB 0.043 31.585 31.700 -0.264 0.000 0.778 849 Q N -1.385 118.637 119.800 0.371 0.000 2.201 849 Q HA 0.098 4.439 4.340 0.001 0.000 0.236 849 Q C -0.700 175.471 176.000 0.284 0.000 0.857 849 Q CA 0.051 56.080 55.803 0.376 0.000 1.025 849 Q CB -0.598 28.238 28.738 0.163 0.000 1.124 849 Q HN 0.347 nan 8.270 nan 0.000 0.473 850 H N 0.235 119.406 119.070 0.168 0.000 3.162 850 H HA 0.409 4.965 4.556 0.001 0.000 0.309 850 H C -1.028 174.326 175.328 0.043 0.000 1.156 850 H CA -0.630 55.495 56.048 0.129 0.000 1.586 850 H CB 1.145 30.952 29.762 0.076 0.000 1.740 850 H HN 0.182 nan 8.280 nan 0.000 0.525 851 V N 1.604 121.585 119.914 0.112 0.000 2.713 851 V HA 0.659 4.779 4.120 0.001 0.000 0.307 851 V C -0.431 175.761 176.094 0.163 0.000 1.052 851 V CA -0.731 61.575 62.300 0.011 0.000 0.967 851 V CB 1.968 33.648 31.823 -0.239 0.000 1.019 851 V HN 0.602 nan 8.190 nan 0.000 0.459 852 K N 3.220 123.681 120.400 0.103 0.000 2.426 852 K HA 0.658 4.979 4.320 0.001 0.000 0.251 852 K C -1.237 175.395 176.600 0.053 0.000 0.941 852 K CA -0.744 55.621 56.287 0.131 0.000 0.808 852 K CB 2.673 35.256 32.500 0.138 0.000 1.265 852 K HN 0.695 nan 8.250 nan 0.000 0.432 853 I N 1.181 121.797 120.570 0.075 0.000 2.474 853 I HA 0.178 4.348 4.170 0.001 0.000 0.287 853 I C 0.616 176.740 176.117 0.011 0.000 1.048 853 I CA 0.289 61.602 61.300 0.021 0.000 1.383 853 I CB 1.527 39.554 38.000 0.045 0.000 1.412 853 I HN 0.586 nan 8.210 nan 0.000 0.531 854 T N 2.682 117.151 114.554 -0.142 0.000 2.618 854 T HA 0.241 4.591 4.350 0.001 0.000 0.286 854 T C -1.518 172.873 174.700 -0.515 0.000 1.027 854 T CA -0.349 61.579 62.100 -0.286 0.000 1.063 854 T CB 0.886 69.698 68.868 -0.093 0.000 1.440 854 T HN 0.708 nan 8.240 nan 0.000 0.505 855 D N 0.680 120.815 120.400 -0.442 0.000 4.201 855 D HA -0.130 4.511 4.640 0.001 0.000 0.238 855 D C -0.573 175.365 176.300 -0.603 0.000 1.070 855 D CA 0.538 54.336 54.000 -0.337 0.000 1.208 855 D CB -0.699 40.013 40.800 -0.147 0.000 0.825 855 D HN 0.425 nan 8.370 nan 0.000 0.404 856 F N -0.201 119.693 119.950 -0.094 0.000 2.664 856 F HA 0.237 4.764 4.527 0.001 0.000 0.303 856 F C 2.417 178.127 175.800 -0.151 0.000 1.092 856 F CA 0.143 58.028 58.000 -0.192 0.000 1.305 856 F CB 0.543 39.480 39.000 -0.106 0.000 1.054 856 F HN 0.383 nan 8.300 nan 0.000 0.565 857 G N 0.135 108.926 108.800 -0.016 0.000 2.621 857 G HA2 -0.179 3.781 3.960 0.001 0.000 0.215 857 G HA3 -0.179 3.781 3.960 0.001 0.000 0.215 857 G C 1.188 176.041 174.900 -0.079 0.000 1.127 857 G CA 1.002 46.076 45.100 -0.043 0.000 0.747 857 G HN 0.459 nan 8.290 nan 0.000 0.561 858 L N -0.979 120.185 121.223 -0.099 0.000 3.360 858 L HA 0.466 4.807 4.340 0.001 0.000 0.303 858 L C 1.482 178.288 176.870 -0.107 0.000 1.218 858 L CA -0.111 54.663 54.840 -0.110 0.000 1.059 858 L CB 0.527 42.529 42.059 -0.095 0.000 1.468 858 L HN 0.164 nan 8.230 nan 0.000 0.614 859 A N 0.364 123.142 122.820 -0.070 0.000 2.366 859 A HA 0.567 4.887 4.320 0.001 0.000 0.250 859 A C -0.035 177.526 177.584 -0.039 0.000 1.099 859 A CA 0.300 52.324 52.037 -0.022 0.000 0.794 859 A CB 0.399 19.446 19.000 0.078 0.000 1.056 859 A HN 0.059 nan 8.150 nan 0.000 0.499 860 K N -0.249 120.140 120.400 -0.018 0.000 2.568 860 K HA 0.348 4.668 4.320 0.001 0.000 0.273 860 K C -1.357 175.239 176.600 -0.006 0.000 0.951 860 K CA -0.489 55.774 56.287 -0.040 0.000 0.854 860 K CB 1.456 33.901 32.500 -0.092 0.000 1.424 860 K HN 0.627 nan 8.250 nan 0.000 0.427 861 L N 2.239 123.457 121.223 -0.007 0.000 2.426 861 L HA 0.174 4.515 4.340 0.001 0.000 0.271 861 L C 0.583 177.446 176.870 -0.013 0.000 1.169 861 L CA -0.774 54.071 54.840 0.009 0.000 0.836 861 L CB 0.184 42.249 42.059 0.010 0.000 1.112 861 L HN 0.443 nan 8.230 nan 0.000 0.465 862 L N 3.547 124.763 121.223 -0.013 0.000 2.500 862 L HA 0.338 4.678 4.340 0.001 0.000 0.272 862 L C 0.847 177.714 176.870 -0.005 0.000 1.149 862 L CA 1.337 56.151 54.840 -0.044 0.000 0.897 862 L CB 0.291 42.303 42.059 -0.078 0.000 1.178 862 L HN 0.847 nan 8.230 nan 0.000 0.473 863 G N 2.700 111.499 108.800 -0.002 0.000 2.232 863 G HA2 -0.171 3.790 3.960 0.001 0.000 0.226 863 G HA3 -0.171 3.790 3.960 0.001 0.000 0.226 863 G C 0.455 175.356 174.900 0.002 0.000 0.996 863 G CA 0.139 45.245 45.100 0.011 0.000 0.626 863 G HN 1.186 nan 8.290 nan 0.000 0.509 864 A N -0.079 122.734 122.820 -0.012 0.000 2.292 864 A HA 0.725 5.046 4.320 0.001 0.000 0.265 864 A C 0.282 177.848 177.584 -0.030 0.000 1.133 864 A CA 0.651 52.674 52.037 -0.022 0.000 0.807 864 A CB 0.328 19.308 19.000 -0.034 0.000 1.102 864 A HN 0.531 nan 8.150 nan 0.000 0.502 865 E N -0.460 119.718 120.200 -0.036 0.000 2.244 865 E HA 0.611 4.961 4.350 0.001 0.000 0.266 865 E C -0.427 176.136 176.600 -0.062 0.000 0.914 865 E CA -0.648 55.726 56.400 -0.044 0.000 0.794 865 E CB 1.793 31.476 29.700 -0.030 0.000 1.210 865 E HN 0.522 nan 8.360 nan 0.000 0.414 877 P HA 0.478 nan 4.420 nan 0.000 0.251 877 P C 0.865 178.318 177.300 0.256 0.000 1.718 877 P CA -0.240 62.933 63.100 0.122 0.000 1.119 877 P CB 1.265 32.939 31.700 -0.043 0.000 1.762 878 I N 2.178 122.877 120.570 0.216 0.000 2.315 878 I HA -0.143 4.027 4.170 0.001 0.000 0.248 878 I C 1.706 177.905 176.117 0.135 0.000 1.117 878 I CA 1.182 62.556 61.300 0.123 0.000 1.404 878 I CB -0.385 37.643 38.000 0.047 0.000 1.071 878 I HN 0.277 nan 8.210 nan 0.000 0.419 879 K N -0.981 119.577 120.400 0.263 0.000 2.555 879 K HA -0.128 4.192 4.320 0.001 0.000 0.193 879 K C 1.361 178.046 176.600 0.143 0.000 1.032 879 K CA 0.567 56.929 56.287 0.124 0.000 1.004 879 K CB 0.053 32.604 32.500 0.084 0.000 0.804 879 K HN 0.417 nan 8.250 nan 0.000 0.496 880 W N 0.577 121.951 121.300 0.122 0.000 3.005 880 W HA 0.272 4.933 4.660 0.000 0.000 0.374 880 W C -0.089 176.518 176.519 0.147 0.000 1.076 880 W CA -0.412 57.048 57.345 0.193 0.000 1.794 880 W CB 0.370 29.936 29.460 0.176 0.000 1.113 880 W HN -0.031 nan 8.180 nan 0.000 0.584 881 M N 0.441 120.111 119.600 0.116 0.000 2.300 881 M HA 0.461 4.941 4.480 0.001 0.000 0.348 881 M C 0.690 176.451 176.300 -0.899 0.000 1.151 881 M CA -0.387 54.794 55.300 -0.198 0.000 1.046 881 M CB 1.488 33.996 32.600 -0.153 0.000 1.647 881 M HN -0.260 nan 8.290 nan 0.000 0.451 882 A N 1.886 124.071 122.820 -1.058 0.000 2.455 882 A HA 0.102 4.422 4.320 0.001 0.000 0.244 882 A C 0.880 177.789 177.584 -1.125 0.000 1.099 882 A CA -0.168 50.931 52.037 -1.565 0.000 0.786 882 A CB 0.176 18.846 19.000 -0.549 0.000 1.051 882 A HN 0.940 nan 8.150 nan 0.000 0.508 883 L N -0.318 120.312 121.223 -0.988 0.000 2.034 883 L HA -0.029 4.311 4.340 0.001 0.000 0.203 883 L C 2.376 179.021 176.870 -0.376 0.000 1.074 883 L CA 2.499 57.019 54.840 -0.533 0.000 0.748 883 L CB -0.914 40.956 42.059 -0.317 0.000 0.905 883 L HN 0.845 nan 8.230 nan 0.000 0.439 884 E N -0.852 119.136 120.200 -0.354 0.000 2.284 884 E HA -0.198 4.153 4.350 0.001 0.000 0.200 884 E C 1.996 178.426 176.600 -0.284 0.000 1.008 884 E CA 1.385 57.582 56.400 -0.340 0.000 0.829 884 E CB -0.605 28.932 29.700 -0.272 0.000 0.744 884 E HN 0.411 nan 8.360 nan 0.000 0.491 885 S N 0.527 115.985 115.700 -0.404 0.000 2.335 885 S HA -0.043 4.427 4.470 0.001 0.000 0.217 885 S C 2.004 176.448 174.600 -0.260 0.000 1.032 885 S CA 1.120 59.011 58.200 -0.514 0.000 0.985 885 S CB -0.274 62.547 63.200 -0.632 0.000 0.896 885 S HN 0.231 nan 8.310 nan 0.000 0.445 886 I N 1.486 121.919 120.570 -0.228 0.000 2.252 886 I HA -0.119 4.051 4.170 0.001 0.000 0.245 886 I C 1.682 177.775 176.117 -0.040 0.000 1.102 886 I CA 1.182 62.407 61.300 -0.124 0.000 1.385 886 I CB -0.433 37.476 38.000 -0.152 0.000 1.064 886 I HN 0.187 nan 8.210 nan 0.000 0.414 887 L N -0.593 120.645 121.223 0.025 0.000 2.567 887 L HA 0.052 4.393 4.340 0.001 0.000 0.225 887 L C 0.872 177.923 176.870 0.301 0.000 1.119 887 L CA 0.553 55.509 54.840 0.193 0.000 0.871 887 L CB -0.219 42.023 42.059 0.304 0.000 1.036 887 L HN 0.324 nan 8.230 nan 0.000 0.459 888 H N -1.626 117.394 119.070 -0.082 0.000 3.474 888 H HA 0.237 4.793 4.556 0.001 0.000 0.259 888 H C 0.200 175.511 175.328 -0.029 0.000 1.164 888 H CA -0.984 55.032 56.048 -0.052 0.000 1.078 888 H CB 0.368 30.095 29.762 -0.058 0.000 1.957 888 H HN -0.066 nan 8.280 nan 0.000 0.765 889 R N 0.310 120.860 120.500 0.083 0.000 3.804 889 R HA -0.192 4.148 4.340 0.001 0.000 0.286 889 R C -0.501 175.914 176.300 0.191 0.000 1.192 889 R CA 0.701 56.899 56.100 0.163 0.000 0.801 889 R CB -1.996 28.426 30.300 0.202 0.000 1.180 889 R HN 0.347 nan 8.270 nan 0.000 0.509 890 I N 0.581 121.145 120.570 -0.010 0.000 2.529 890 I HA 0.043 4.213 4.170 0.001 0.000 0.284 890 I C 0.145 176.135 176.117 -0.211 0.000 1.082 890 I CA 0.234 61.535 61.300 0.002 0.000 1.406 890 I CB 0.431 38.413 38.000 -0.029 0.000 1.405 890 I HN -0.022 nan 8.210 nan 0.000 0.548 891 Y N 4.138 124.436 120.300 -0.003 0.000 2.535 891 Y HA 0.257 4.807 4.550 0.001 0.000 0.341 891 Y C 0.385 176.273 175.900 -0.020 0.000 1.041 891 Y CA -0.694 57.405 58.100 -0.002 0.000 1.307 891 Y CB 1.720 40.180 38.460 0.001 0.000 1.095 891 Y HN 0.507 nan 8.280 nan 0.000 0.534 892 T N -0.256 114.349 114.554 0.085 0.000 2.897 892 T HA 0.191 4.542 4.350 0.001 0.000 0.278 892 T C 1.309 176.055 174.700 0.075 0.000 0.981 892 T CA -0.368 61.760 62.100 0.047 0.000 0.973 892 T CB 0.785 69.692 68.868 0.064 0.000 1.092 892 T HN 0.700 nan 8.240 nan 0.000 0.543 893 H N 0.666 119.833 119.070 0.162 0.000 2.387 893 H HA -0.064 4.492 4.556 0.001 0.000 0.299 893 H C 2.112 177.521 175.328 0.135 0.000 1.099 893 H CA 1.559 57.731 56.048 0.207 0.000 1.315 893 H CB 0.166 30.041 29.762 0.188 0.000 1.380 893 H HN 0.549 nan 8.280 nan 0.000 0.513 894 Q N 0.468 120.376 119.800 0.181 0.000 2.364 894 Q HA -0.071 4.269 4.340 0.001 0.000 0.207 894 Q C 2.355 178.434 176.000 0.131 0.000 0.970 894 Q CA 1.005 56.854 55.803 0.076 0.000 0.888 894 Q CB -0.206 28.566 28.738 0.055 0.000 0.951 894 Q HN 0.516 nan 8.270 nan 0.000 0.469 895 S N 0.136 115.926 115.700 0.150 0.000 2.436 895 S HA -0.087 4.384 4.470 0.001 0.000 0.228 895 S C 1.310 176.081 174.600 0.284 0.000 1.014 895 S CA 0.671 58.967 58.200 0.160 0.000 0.950 895 S CB 0.111 63.317 63.200 0.010 0.000 0.784 895 S HN 0.085 nan 8.310 nan 0.000 0.504 896 D N 1.621 122.222 120.400 0.335 0.000 2.178 896 D HA -0.008 4.633 4.640 0.001 0.000 0.202 896 D C 2.057 178.682 176.300 0.541 0.000 0.974 896 D CA 0.838 55.125 54.000 0.479 0.000 0.841 896 D CB -0.398 40.772 40.800 0.618 0.000 0.953 896 D HN 0.327 nan 8.370 nan 0.000 0.478 897 V N 0.783 120.844 119.914 0.246 0.000 2.332 897 V HA -0.223 3.898 4.120 0.001 0.000 0.248 897 V C 2.219 178.523 176.094 0.350 0.000 1.055 897 V CA 1.329 63.631 62.300 0.004 0.000 1.038 897 V CB -0.511 31.110 31.823 -0.336 0.000 0.651 897 V HN 0.388 nan 8.190 nan 0.000 0.450 898 W N 1.372 122.808 121.300 0.227 0.000 2.318 898 W HA -0.232 4.428 4.660 0.001 0.000 0.313 898 W C 2.583 179.388 176.519 0.476 0.000 1.221 898 W CA 2.373 59.947 57.345 0.382 0.000 1.266 898 W CB -0.662 28.980 29.460 0.304 0.000 1.150 898 W HN 0.362 nan 8.180 nan 0.000 0.496 899 S N -0.366 115.791 115.700 0.762 0.000 2.399 899 S HA -0.248 4.223 4.470 0.001 0.000 0.231 899 S C 1.466 176.405 174.600 0.565 0.000 1.022 899 S CA 1.423 60.021 58.200 0.664 0.000 0.983 899 S CB -1.093 62.431 63.200 0.539 0.000 0.803 899 S HN 0.396 nan 8.310 nan 0.000 0.480 900 Y N 2.630 123.195 120.300 0.441 0.000 2.053 900 Y HA -0.241 4.309 4.550 0.001 0.000 0.277 900 Y C 2.534 178.609 175.900 0.291 0.000 1.159 900 Y CA 1.650 59.971 58.100 0.367 0.000 1.125 900 Y CB -1.066 37.678 38.460 0.473 0.000 0.969 900 Y HN 0.247 nan 8.280 nan 0.000 0.492 901 G N -0.572 108.449 108.800 0.368 0.000 2.513 901 G HA2 -0.309 3.651 3.960 0.001 0.000 0.219 901 G HA3 -0.309 3.651 3.960 0.001 0.000 0.219 901 G C 1.674 176.832 174.900 0.431 0.000 1.160 901 G CA 1.843 47.032 45.100 0.147 0.000 0.767 901 G HN 0.399 nan 8.290 nan 0.000 0.571 902 V N 0.753 121.016 119.914 0.582 0.000 2.407 902 V HA -0.167 3.953 4.120 0.001 0.000 0.248 902 V C 3.103 179.395 176.094 0.330 0.000 1.055 902 V CA 2.293 64.837 62.300 0.407 0.000 1.049 902 V CB -0.926 31.004 31.823 0.178 0.000 0.662 902 V HN 0.394 nan 8.190 nan 0.000 0.455 903 T N 0.043 114.763 114.554 0.278 0.000 2.821 903 T HA -0.117 4.233 4.350 0.001 0.000 0.267 903 T C 1.968 176.708 174.700 0.067 0.000 1.046 903 T CA 1.424 63.641 62.100 0.195 0.000 1.139 903 T CB -0.110 68.819 68.868 0.102 0.000 0.871 903 T HN 0.302 nan 8.240 nan 0.000 0.454 904 V N 0.052 119.937 119.914 -0.049 0.000 2.261 904 V HA -0.188 3.933 4.120 0.001 0.000 0.246 904 V C 2.005 178.164 176.094 0.107 0.000 1.047 904 V CA 1.631 63.889 62.300 -0.069 0.000 1.015 904 V CB -0.766 30.999 31.823 -0.097 0.000 0.642 904 V HN 0.627 nan 8.190 nan 0.000 0.446 905 W N 1.187 122.526 121.300 0.066 0.000 2.318 905 W HA -0.228 4.432 4.660 0.000 0.000 0.313 905 W C 2.471 179.014 176.519 0.040 0.000 1.221 905 W CA 2.304 59.709 57.345 0.100 0.000 1.266 905 W CB -0.126 29.443 29.460 0.182 0.000 1.150 905 W HN 0.300 nan 8.180 nan 0.000 0.496 906 E N -0.058 120.374 120.200 0.387 0.000 2.070 906 E HA -0.298 4.053 4.350 0.001 0.000 0.197 906 E C 2.138 178.731 176.600 -0.012 0.000 1.004 906 E CA 2.011 58.544 56.400 0.222 0.000 0.805 906 E CB -0.745 29.130 29.700 0.291 0.000 0.744 906 E HN 0.393 nan 8.360 nan 0.000 0.451 907 L N 0.158 121.368 121.223 -0.023 0.000 1.988 907 L HA -0.168 4.172 4.340 0.001 0.000 0.207 907 L C 2.605 179.298 176.870 -0.295 0.000 1.071 907 L CA 0.735 55.519 54.840 -0.093 0.000 0.744 907 L CB -0.464 41.590 42.059 -0.008 0.000 0.893 907 L HN 0.208 nan 8.230 nan 0.000 0.433 908 M N -0.107 119.335 119.600 -0.262 0.000 2.260 908 M HA -0.131 4.350 4.480 0.001 0.000 0.261 908 M C 1.877 177.954 176.300 -0.371 0.000 1.066 908 M CA 1.832 56.942 55.300 -0.317 0.000 1.082 908 M CB -1.578 30.914 32.600 -0.180 0.000 1.388 908 M HN 0.424 nan 8.290 nan 0.000 0.419 909 T N -3.787 110.496 114.554 -0.451 0.000 3.251 909 T HA 0.266 4.616 4.350 0.001 0.000 0.259 909 T C 0.330 175.023 174.700 -0.012 0.000 0.998 909 T CA -0.547 61.348 62.100 -0.342 0.000 0.905 909 T CB -1.084 67.230 68.868 -0.923 0.000 1.067 909 T HN 0.260 nan 8.240 nan 0.000 0.569 910 F N 1.298 121.179 119.950 -0.114 0.000 3.100 910 F HA -0.148 4.379 4.527 0.001 0.000 0.283 910 F C 1.422 177.220 175.800 -0.002 0.000 0.900 910 F CA 0.999 58.985 58.000 -0.023 0.000 1.010 910 F CB -2.022 36.964 39.000 -0.024 0.000 1.029 910 F HN 0.709 nan 8.300 nan 0.000 0.637 911 G N -0.500 108.345 108.800 0.075 0.000 2.140 911 G HA2 -0.164 3.796 3.960 0.001 0.000 0.211 911 G HA3 -0.164 3.796 3.960 0.001 0.000 0.211 911 G C 0.265 175.245 174.900 0.133 0.000 1.013 911 G CA -0.029 45.141 45.100 0.116 0.000 0.705 911 G HN 0.592 nan 8.290 nan 0.000 0.508 912 S N -0.117 115.632 115.700 0.082 0.000 2.596 912 S HA 0.444 4.914 4.470 0.001 0.000 0.260 912 S C 0.687 175.478 174.600 0.318 0.000 1.336 912 S CA -0.027 58.266 58.200 0.155 0.000 0.993 912 S CB 0.675 63.909 63.200 0.056 0.000 0.923 912 S HN 0.452 nan 8.310 nan 0.000 0.567 913 K N 2.616 123.188 120.400 0.287 0.000 2.234 913 K HA 0.317 4.638 4.320 0.001 0.000 0.277 913 K C -2.593 174.065 176.600 0.096 0.000 1.038 913 K CA -1.841 54.577 56.287 0.217 0.000 0.888 913 K CB 0.600 33.200 32.500 0.166 0.000 1.091 913 K HN 0.369 nan 8.250 nan 0.000 0.467 914 P HA -0.071 nan 4.420 nan 0.000 0.267 914 P C -0.859 176.164 177.300 -0.462 0.000 1.205 914 P CA 0.123 62.751 63.100 -0.786 0.000 0.765 914 P CB 0.105 31.182 31.700 -1.038 0.000 0.828 915 Y N -0.870 119.208 120.300 -0.369 0.000 3.389 915 Y HA -0.242 4.309 4.550 0.000 0.000 0.213 915 Y C 0.806 176.647 175.900 -0.097 0.000 1.272 915 Y CA 0.413 58.385 58.100 -0.214 0.000 1.444 915 Y CB -2.951 35.376 38.460 -0.221 0.000 1.445 915 Y HN 0.382 nan 8.280 nan 0.000 0.583 916 D N 0.586 121.007 120.400 0.035 0.000 2.571 916 D HA 0.262 4.902 4.640 0.001 0.000 0.231 916 D C 1.420 177.762 176.300 0.069 0.000 1.133 916 D CA 2.440 56.481 54.000 0.069 0.000 0.862 916 D CB 0.672 41.519 40.800 0.079 0.000 1.179 916 D HN 0.659 nan 8.370 nan 0.000 0.474 917 G N 4.302 113.143 108.800 0.067 0.000 5.229 917 G HA2 -0.316 3.644 3.960 0.001 0.000 0.250 917 G HA3 -0.316 3.644 3.960 0.001 0.000 0.250 917 G C 0.653 175.582 174.900 0.049 0.000 1.380 917 G CA 0.143 45.275 45.100 0.054 0.000 0.933 917 G HN 0.705 nan 8.290 nan 0.000 0.731 918 I N 3.572 124.172 120.570 0.049 0.000 3.513 918 I HA -0.042 4.128 4.170 0.001 0.000 0.343 918 I C -1.746 174.382 176.117 0.017 0.000 1.230 918 I CA 0.168 61.487 61.300 0.031 0.000 1.530 918 I CB -1.026 37.000 38.000 0.043 0.000 1.323 918 I HN 0.123 nan 8.210 nan 0.000 0.460 919 P HA 0.081 nan 4.420 nan 0.000 0.268 919 P C 0.627 177.913 177.300 -0.023 0.000 1.205 919 P CA -0.017 63.085 63.100 0.003 0.000 0.771 919 P CB 0.935 32.637 31.700 0.003 0.000 0.858 920 A N 2.935 125.747 122.820 -0.013 0.000 1.877 920 A HA -0.181 4.140 4.320 0.001 0.000 0.216 920 A C 2.105 179.657 177.584 -0.053 0.000 1.186 920 A CA 2.183 54.200 52.037 -0.034 0.000 0.620 920 A CB -1.840 17.164 19.000 0.005 0.000 0.822 920 A HN 0.605 nan 8.150 nan 0.000 0.443 921 S N 0.115 115.795 115.700 -0.033 0.000 2.461 921 S HA -0.252 4.218 4.470 0.001 0.000 0.246 921 S C 1.381 175.949 174.600 -0.052 0.000 1.007 921 S CA 1.743 59.921 58.200 -0.036 0.000 0.976 921 S CB -0.464 62.723 63.200 -0.022 0.000 0.763 921 S HN 0.716 nan 8.310 nan 0.000 0.508 922 E N 0.299 120.461 120.200 -0.063 0.000 2.385 922 E HA 0.130 4.480 4.350 0.001 0.000 0.194 922 E C 1.645 178.172 176.600 -0.121 0.000 1.013 922 E CA 0.236 56.591 56.400 -0.075 0.000 0.866 922 E CB -0.036 29.628 29.700 -0.059 0.000 0.832 922 E HN 0.436 nan 8.360 nan 0.000 0.500 923 I N 1.366 121.833 120.570 -0.172 0.000 2.208 923 I HA -0.279 3.891 4.170 0.001 0.000 0.245 923 I C 2.492 178.482 176.117 -0.212 0.000 1.097 923 I CA 1.501 62.634 61.300 -0.279 0.000 1.363 923 I CB -1.577 36.203 38.000 -0.366 0.000 1.051 923 I HN 0.126 nan 8.210 nan 0.000 0.413 924 S N -0.368 115.243 115.700 -0.149 0.000 2.419 924 S HA -0.172 4.298 4.470 0.001 0.000 0.235 924 S C 2.146 176.694 174.600 -0.086 0.000 1.019 924 S CA 1.583 59.714 58.200 -0.115 0.000 0.982 924 S CB -0.485 62.665 63.200 -0.082 0.000 0.789 924 S HN 0.442 nan 8.310 nan 0.000 0.490 925 S N 1.192 116.843 115.700 -0.083 0.000 2.355 925 S HA 0.193 4.664 4.470 0.001 0.000 0.216 925 S C 1.782 176.351 174.600 -0.051 0.000 1.037 925 S CA 0.533 58.700 58.200 -0.055 0.000 0.955 925 S CB -0.579 62.592 63.200 -0.049 0.000 0.877 925 S HN 0.543 nan 8.310 nan 0.000 0.488 926 I N 1.899 122.426 120.570 -0.072 0.000 2.087 926 I HA -0.257 3.913 4.170 0.001 0.000 0.240 926 I C 2.287 178.377 176.117 -0.045 0.000 1.054 926 I CA 1.526 62.789 61.300 -0.062 0.000 1.311 926 I CB -0.553 37.386 38.000 -0.102 0.000 1.024 926 I HN 0.335 nan 8.210 nan 0.000 0.402 927 L N 0.124 121.304 121.223 -0.073 0.000 2.129 927 L HA -0.265 4.075 4.340 0.001 0.000 0.212 927 L C 2.395 179.279 176.870 0.023 0.000 1.087 927 L CA 1.478 56.312 54.840 -0.010 0.000 0.757 927 L CB -0.494 41.556 42.059 -0.015 0.000 0.896 927 L HN 0.337 nan 8.230 nan 0.000 0.434 928 E N -0.234 119.962 120.200 -0.006 0.000 2.427 928 E HA -0.140 4.210 4.350 0.001 0.000 0.196 928 E C 1.830 178.438 176.600 0.013 0.000 1.028 928 E CA 0.348 56.752 56.400 0.006 0.000 0.864 928 E CB 0.293 29.987 29.700 -0.009 0.000 0.813 928 E HN 0.359 nan 8.360 nan 0.000 0.514 929 K N -1.125 119.281 120.400 0.010 0.000 2.365 929 K HA 0.072 4.393 4.320 0.001 0.000 0.197 929 K C 0.840 177.456 176.600 0.027 0.000 1.042 929 K CA 0.589 56.885 56.287 0.015 0.000 0.987 929 K CB 0.679 33.184 32.500 0.009 0.000 0.779 929 K HN 0.191 nan 8.250 nan 0.000 0.484 930 G N 1.731 110.553 108.800 0.037 0.000 2.141 930 G HA2 -0.210 3.750 3.960 0.001 0.000 0.164 930 G HA3 -0.210 3.750 3.960 0.001 0.000 0.164 930 G C -0.522 174.410 174.900 0.053 0.000 1.009 930 G CA -0.463 44.667 45.100 0.051 0.000 0.677 930 G HN 0.279 nan 8.290 nan 0.000 0.508 931 E N 0.421 120.648 120.200 0.044 0.000 2.216 931 E HA 0.631 4.982 4.350 0.001 0.000 0.279 931 E C 0.380 177.002 176.600 0.036 0.000 0.997 931 E CA -0.743 55.684 56.400 0.045 0.000 0.817 931 E CB 0.704 30.426 29.700 0.036 0.000 1.096 931 E HN 0.216 nan 8.360 nan 0.000 0.393 932 R N 2.396 122.914 120.500 0.030 0.000 3.076 932 R HA 0.500 4.840 4.340 0.001 0.000 0.239 932 R C -0.357 175.875 176.300 -0.113 0.000 1.392 932 R CA -1.008 55.041 56.100 -0.084 0.000 1.044 932 R CB 0.117 30.424 30.300 0.012 0.000 1.389 932 R HN 0.495 nan 8.270 nan 0.000 0.498 933 L N 3.286 124.281 121.223 -0.381 0.000 2.417 933 L HA 0.292 4.632 4.340 0.001 0.000 0.268 933 L C -1.670 175.302 176.870 0.171 0.000 1.158 933 L CA -1.604 52.984 54.840 -0.420 0.000 0.819 933 L CB 0.303 41.673 42.059 -1.149 0.000 1.112 933 L HN 0.254 nan 8.230 nan 0.000 0.458 934 P HA -0.027 nan 4.420 nan 0.000 0.271 934 P C -0.943 176.472 177.300 0.191 0.000 1.218 934 P CA -0.495 62.739 63.100 0.223 0.000 0.780 934 P CB 0.604 32.409 31.700 0.174 0.000 0.901 935 Q N 3.114 122.574 119.800 -0.567 0.000 2.308 935 Q HA 0.016 4.357 4.340 0.001 0.000 0.313 935 Q C -1.950 173.916 176.000 -0.224 0.000 1.075 935 Q CA -0.840 54.386 55.803 -0.960 0.000 0.995 935 Q CB -0.339 27.802 28.738 -0.995 0.000 1.107 935 Q HN 0.301 nan 8.270 nan 0.000 0.380 936 P HA 0.012 nan 4.420 nan 0.000 0.271 936 P C -2.172 175.075 177.300 -0.090 0.000 1.216 936 P CA -1.128 61.886 63.100 -0.143 0.000 0.776 936 P CB 0.495 32.056 31.700 -0.230 0.000 0.881 937 P HA -0.146 nan 4.420 nan 0.000 0.224 937 P C 0.907 178.203 177.300 -0.006 0.000 1.142 937 P CA 1.396 64.475 63.100 -0.035 0.000 0.778 937 P CB -0.275 31.409 31.700 -0.027 0.000 0.764 938 I N -4.854 115.729 120.570 0.021 0.000 3.968 938 I HA 0.194 4.364 4.170 0.001 0.000 0.328 938 I C 0.490 176.634 176.117 0.045 0.000 1.290 938 I CA -0.143 61.190 61.300 0.055 0.000 1.163 938 I CB -0.619 37.461 38.000 0.133 0.000 1.024 938 I HN -0.272 nan 8.210 nan 0.000 0.413 939 C N 3.673 122.990 119.300 0.029 0.000 2.373 939 C HA 0.400 4.861 4.460 0.001 0.000 0.354 939 C C 1.411 176.443 174.990 0.070 0.000 1.249 939 C CA -0.490 58.568 59.018 0.066 0.000 1.784 939 C CB -0.536 27.265 27.740 0.102 0.000 2.408 939 C HN 0.570 nan 8.230 nan 0.000 0.542 940 T N 1.341 115.951 114.554 0.093 0.000 2.906 940 T HA 0.037 4.387 4.350 0.001 0.000 0.320 940 T C 1.545 176.319 174.700 0.123 0.000 1.088 940 T CA -0.418 61.737 62.100 0.092 0.000 1.120 940 T CB 0.513 69.453 68.868 0.120 0.000 1.000 940 T HN 0.616 nan 8.240 nan 0.000 0.550 941 I N 1.003 121.637 120.570 0.108 0.000 2.227 941 I HA -0.325 3.846 4.170 0.001 0.000 0.250 941 I C 1.495 177.680 176.117 0.114 0.000 1.087 941 I CA 2.362 63.743 61.300 0.134 0.000 1.352 941 I CB -0.511 37.544 38.000 0.091 0.000 1.043 941 I HN 0.741 nan 8.210 nan 0.000 0.425 942 D N -0.112 120.347 120.400 0.098 0.000 2.117 942 D HA -0.142 4.499 4.640 0.001 0.000 0.198 942 D C 2.189 178.457 176.300 -0.054 0.000 0.982 942 D CA 0.942 54.959 54.000 0.029 0.000 0.828 942 D CB -0.393 40.454 40.800 0.079 0.000 0.967 942 D HN 0.220 nan 8.370 nan 0.000 0.464 943 V N 0.309 120.230 119.914 0.013 0.000 2.237 943 V HA -0.285 3.836 4.120 0.001 0.000 0.245 943 V C 2.094 178.209 176.094 0.034 0.000 1.046 943 V CA 1.571 63.868 62.300 -0.005 0.000 1.007 943 V CB -0.707 31.184 31.823 0.112 0.000 0.638 943 V HN 0.256 nan 8.190 nan 0.000 0.445 944 Y N -0.292 120.002 120.300 -0.011 0.000 2.256 944 Y HA -0.354 4.196 4.550 0.001 0.000 0.288 944 Y C 2.495 178.356 175.900 -0.066 0.000 1.155 944 Y CA 2.204 60.302 58.100 -0.004 0.000 1.203 944 Y CB -0.043 38.440 38.460 0.038 0.000 0.980 944 Y HN 0.286 nan 8.280 nan 0.000 0.530 945 M N -0.047 119.466 119.600 -0.145 0.000 2.099 945 M HA -0.173 4.307 4.480 0.001 0.000 0.262 945 M C 1.848 177.948 176.300 -0.334 0.000 1.067 945 M CA 1.897 57.050 55.300 -0.246 0.000 1.124 945 M CB -0.419 32.104 32.600 -0.129 0.000 1.353 945 M HN 0.308 nan 8.290 nan 0.000 0.410 946 I N -0.347 120.049 120.570 -0.289 0.000 2.286 946 I HA -0.329 3.841 4.170 0.001 0.000 0.248 946 I C 2.331 178.232 176.117 -0.360 0.000 1.115 946 I CA 1.382 62.498 61.300 -0.307 0.000 1.392 946 I CB -0.320 37.461 38.000 -0.365 0.000 1.065 946 I HN 0.402 nan 8.210 nan 0.000 0.418 947 M N -0.606 118.744 119.600 -0.416 0.000 2.065 947 M HA -0.231 4.249 4.480 0.001 0.000 0.259 947 M C 2.335 177.842 176.300 -1.322 0.000 1.069 947 M CA 1.681 56.524 55.300 -0.761 0.000 1.110 947 M CB -0.382 31.856 32.600 -0.602 0.000 1.328 947 M HN 0.079 nan 8.290 nan 0.000 0.405 948 V N 0.308 119.625 119.914 -0.994 0.000 2.594 948 V HA -0.255 3.866 4.120 0.001 0.000 0.253 948 V C 2.045 177.823 176.094 -0.526 0.000 1.069 948 V CA 1.624 63.488 62.300 -0.725 0.000 1.082 948 V CB -0.705 30.803 31.823 -0.524 0.000 0.680 948 V HN 0.445 nan 8.190 nan 0.000 0.469 949 K N -0.735 119.384 120.400 -0.469 0.000 2.209 949 K HA -0.161 4.159 4.320 0.001 0.000 0.204 949 K C 1.956 178.358 176.600 -0.330 0.000 1.048 949 K CA 1.574 57.669 56.287 -0.319 0.000 0.940 949 K CB -0.357 31.989 32.500 -0.256 0.000 0.729 949 K HN 0.477 nan 8.250 nan 0.000 0.451 950 C N -0.307 118.670 119.300 -0.539 0.000 2.522 950 C HA 0.002 4.462 4.460 0.001 0.000 0.271 950 C C 1.056 175.815 174.990 -0.386 0.000 1.425 950 C CA -0.253 58.495 59.018 -0.449 0.000 1.751 950 C CB -0.865 26.541 27.740 -0.557 0.000 1.775 950 C HN 0.568 nan 8.230 nan 0.000 0.557 951 W N -0.891 120.093 121.300 -0.527 0.000 3.005 951 W HA 0.466 5.127 4.660 0.001 0.000 0.374 951 W C 0.505 176.788 176.519 -0.394 0.000 1.076 951 W CA -1.536 55.235 57.345 -0.956 0.000 1.794 951 W CB -1.096 27.753 29.460 -1.017 0.000 1.113 951 W HN 0.191 nan 8.180 nan 0.000 0.584 952 M N 0.640 120.239 119.600 -0.003 0.000 2.252 952 M HA -0.079 4.401 4.480 0.001 0.000 0.329 952 M C 1.490 177.904 176.300 0.190 0.000 1.101 952 M CA 0.309 55.649 55.300 0.067 0.000 1.117 952 M CB 0.629 33.241 32.600 0.019 0.000 1.563 952 M HN -0.239 nan 8.290 nan 0.000 0.445 953 I N 1.200 121.864 120.570 0.157 0.000 2.110 953 I HA -0.158 4.012 4.170 0.001 0.000 0.236 953 I C 0.677 176.853 176.117 0.099 0.000 1.068 953 I CA 1.247 62.639 61.300 0.153 0.000 1.333 953 I CB -1.113 36.940 38.000 0.090 0.000 1.054 953 I HN 0.710 nan 8.210 nan 0.000 0.402 954 D N 1.104 121.539 120.400 0.059 0.000 2.389 954 D HA 0.106 4.746 4.640 0.001 0.000 0.263 954 D C 1.043 177.372 176.300 0.048 0.000 1.255 954 D CA 0.536 54.557 54.000 0.035 0.000 0.914 954 D CB 0.807 41.619 40.800 0.020 0.000 1.116 954 D HN 0.257 nan 8.370 nan 0.000 0.502 955 A N 4.064 126.912 122.820 0.047 0.000 2.119 955 A HA -0.070 4.251 4.320 0.001 0.000 0.216 955 A C 1.499 179.103 177.584 0.033 0.000 1.152 955 A CA 0.551 52.626 52.037 0.063 0.000 0.708 955 A CB 0.059 19.095 19.000 0.060 0.000 0.805 955 A HN 0.623 nan 8.150 nan 0.000 0.460 956 D N -0.575 119.835 120.400 0.018 0.000 2.355 956 D HA 0.039 4.679 4.640 0.001 0.000 0.218 956 D C 1.435 177.729 176.300 -0.010 0.000 1.004 956 D CA 0.583 54.584 54.000 0.003 0.000 0.880 956 D CB 0.216 41.019 40.800 0.005 0.000 0.911 956 D HN 0.297 nan 8.370 nan 0.000 0.528 957 S N 0.097 115.793 115.700 -0.005 0.000 2.528 957 S HA 0.064 4.535 4.470 0.001 0.000 0.219 957 S C 0.960 175.536 174.600 -0.040 0.000 0.985 957 S CA -0.186 58.002 58.200 -0.020 0.000 0.914 957 S CB 0.539 63.733 63.200 -0.010 0.000 0.776 957 S HN 0.102 nan 8.310 nan 0.000 0.526 958 R N 2.154 122.635 120.500 -0.031 0.000 2.784 958 R HA 0.178 4.518 4.340 0.001 0.000 0.266 958 R C -2.424 173.812 176.300 -0.107 0.000 1.044 958 R CA -1.031 55.028 56.100 -0.069 0.000 1.151 958 R CB -0.069 30.212 30.300 -0.032 0.000 1.037 958 R HN 0.150 nan 8.270 nan 0.000 0.478 959 P HA 0.167 nan 4.420 nan 0.000 0.278 959 P C -1.231 175.940 177.300 -0.215 0.000 1.258 959 P CA -0.439 62.565 63.100 -0.159 0.000 0.811 959 P CB 0.757 32.359 31.700 -0.165 0.000 1.063 960 K N 0.699 120.993 120.400 -0.176 0.000 2.118 960 K HA 0.237 4.557 4.320 0.001 0.000 0.267 960 K C 1.089 177.575 176.600 -0.189 0.000 0.991 960 K CA -0.609 55.560 56.287 -0.195 0.000 0.916 960 K CB -0.006 32.440 32.500 -0.090 0.000 1.041 960 K HN 0.282 nan 8.250 nan 0.000 0.455 961 F N 1.617 121.502 119.950 -0.108 0.000 2.184 961 F HA -0.234 4.294 4.527 0.001 0.000 0.301 961 F C 2.394 178.128 175.800 -0.111 0.000 1.076 961 F CA 1.688 59.592 58.000 -0.160 0.000 1.295 961 F CB -0.531 38.393 39.000 -0.126 0.000 1.026 961 F HN 0.629 nan 8.300 nan 0.000 0.494 962 R N 0.664 121.219 120.500 0.093 0.000 2.092 962 R HA -0.131 4.210 4.340 0.001 0.000 0.231 962 R C 1.715 178.024 176.300 0.016 0.000 1.119 962 R CA 1.892 58.020 56.100 0.047 0.000 0.970 962 R CB -0.798 29.517 30.300 0.025 0.000 0.864 962 R HN 0.268 nan 8.270 nan 0.000 0.440 963 E N 1.101 121.292 120.200 -0.015 0.000 2.107 963 E HA -0.058 4.292 4.350 0.001 0.000 0.191 963 E C 2.124 178.706 176.600 -0.029 0.000 0.982 963 E CA 1.013 57.392 56.400 -0.037 0.000 0.809 963 E CB -0.086 29.574 29.700 -0.066 0.000 0.756 963 E HN 0.269 nan 8.360 nan 0.000 0.459 964 L N 0.791 122.003 121.223 -0.018 0.000 2.043 964 L HA -0.248 4.093 4.340 0.001 0.000 0.212 964 L C 2.367 179.338 176.870 0.168 0.000 1.075 964 L CA 1.130 56.004 54.840 0.056 0.000 0.752 964 L CB -0.416 41.620 42.059 -0.038 0.000 0.891 964 L HN 0.178 nan 8.230 nan 0.000 0.432 965 I N -0.275 120.355 120.570 0.099 0.000 2.118 965 I HA -0.365 3.806 4.170 0.001 0.000 0.241 965 I C 2.387 178.548 176.117 0.073 0.000 1.070 965 I CA 1.624 62.978 61.300 0.091 0.000 1.327 965 I CB -0.324 37.705 38.000 0.049 0.000 1.034 965 I HN 0.169 nan 8.210 nan 0.000 0.405 966 I N 0.091 120.676 120.570 0.025 0.000 2.113 966 I HA -0.248 3.923 4.170 0.001 0.000 0.238 966 I C 2.632 178.723 176.117 -0.044 0.000 1.070 966 I CA 1.328 62.623 61.300 -0.009 0.000 1.332 966 I CB -0.840 37.145 38.000 -0.025 0.000 1.044 966 I HN 0.255 nan 8.210 nan 0.000 0.402 967 E N 1.128 121.270 120.200 -0.096 0.000 2.033 967 E HA -0.219 4.131 4.350 0.001 0.000 0.199 967 E C 2.147 178.601 176.600 -0.242 0.000 1.011 967 E CA 1.605 57.875 56.400 -0.218 0.000 0.815 967 E CB -0.722 28.780 29.700 -0.330 0.000 0.755 967 E HN 0.371 nan 8.360 nan 0.000 0.451 968 F N 1.264 121.156 119.950 -0.096 0.000 2.126 968 F HA -0.193 4.334 4.527 0.001 0.000 0.299 968 F C 2.863 178.606 175.800 -0.096 0.000 1.096 968 F CA 1.372 59.318 58.000 -0.089 0.000 1.255 968 F CB -0.775 38.217 39.000 -0.012 0.000 0.997 968 F HN -0.022 nan 8.300 nan 0.000 0.479 969 S N -0.287 115.477 115.700 0.107 0.000 2.356 969 S HA -0.223 4.247 4.470 0.001 0.000 0.223 969 S C 2.181 176.776 174.600 -0.007 0.000 1.032 969 S CA 1.510 59.733 58.200 0.039 0.000 1.005 969 S CB -0.238 62.976 63.200 0.024 0.000 0.867 969 S HN 0.298 nan 8.310 nan 0.000 0.449 970 K N 0.164 120.536 120.400 -0.046 0.000 2.059 970 K HA -0.149 4.172 4.320 0.001 0.000 0.212 970 K C 2.250 178.798 176.600 -0.085 0.000 1.050 970 K CA 2.168 58.413 56.287 -0.070 0.000 0.927 970 K CB -0.271 32.156 32.500 -0.121 0.000 0.714 970 K HN 0.446 nan 8.250 nan 0.000 0.447 971 M N -0.492 118.992 119.600 -0.194 0.000 2.254 971 M HA -0.081 4.399 4.480 0.001 0.000 0.265 971 M C 2.075 178.389 176.300 0.024 0.000 1.066 971 M CA 1.192 56.318 55.300 -0.290 0.000 1.123 971 M CB -0.030 32.247 32.600 -0.538 0.000 1.388 971 M HN 0.167 nan 8.290 nan 0.000 0.425 972 A N -0.188 122.645 122.820 0.022 0.000 2.239 972 A HA -0.051 4.270 4.320 0.001 0.000 0.209 972 A C 2.019 179.612 177.584 0.015 0.000 1.171 972 A CA 0.875 52.924 52.037 0.021 0.000 0.768 972 A CB -0.615 18.376 19.000 -0.016 0.000 0.790 972 A HN 0.400 nan 8.150 nan 0.000 0.478 973 R N -0.936 119.586 120.500 0.037 0.000 2.193 973 R HA -0.034 4.306 4.340 0.001 0.000 0.213 973 R C -0.282 176.053 176.300 0.058 0.000 1.055 973 R CA 1.057 57.179 56.100 0.036 0.000 0.995 973 R CB 0.211 30.533 30.300 0.036 0.000 0.893 973 R HN 0.343 nan 8.270 nan 0.000 0.459 974 D N -1.223 119.250 120.400 0.121 0.000 2.968 974 D HA 0.162 4.802 4.640 0.001 0.000 0.301 974 D C -2.193 174.176 176.300 0.115 0.000 1.226 974 D CA -1.870 52.186 54.000 0.093 0.000 0.746 974 D CB 1.128 41.986 40.800 0.096 0.000 1.278 974 D HN -0.158 nan 8.370 nan 0.000 0.544 975 P HA -0.123 nan 4.420 nan 0.000 0.215 975 P C 1.155 178.490 177.300 0.058 0.000 1.153 975 P CA 1.076 64.238 63.100 0.103 0.000 0.853 975 P CB 0.392 32.107 31.700 0.024 0.000 0.788 976 Q N -1.249 118.546 119.800 -0.009 0.000 2.500 976 Q HA -0.055 4.286 4.340 0.001 0.000 0.213 976 Q C 2.086 178.012 176.000 -0.122 0.000 0.974 976 Q CA 0.603 56.381 55.803 -0.042 0.000 0.918 976 Q CB -0.412 28.303 28.738 -0.037 0.000 0.980 976 Q HN 0.141 nan 8.270 nan 0.000 0.505 977 R N -1.075 119.269 120.500 -0.260 0.000 2.275 977 R HA -0.042 4.299 4.340 0.001 0.000 0.199 977 R C 0.429 176.315 176.300 -0.691 0.000 0.989 977 R CA 0.862 56.637 56.100 -0.542 0.000 1.016 977 R CB 0.365 30.182 30.300 -0.805 0.000 0.918 977 R HN 0.351 nan 8.270 nan 0.000 0.473 978 Y N -1.349 118.950 120.300 -0.002 0.000 2.494 978 Y HA 0.313 4.864 4.550 0.001 0.000 0.271 978 Y C 0.093 176.003 175.900 0.017 0.000 1.113 978 Y CA -0.570 57.532 58.100 0.003 0.000 1.240 978 Y CB 1.063 39.523 38.460 -0.000 0.000 1.268 978 Y HN -0.160 nan 8.280 nan 0.000 0.510 979 L N 0.897 122.199 121.223 0.133 0.000 2.381 979 L HA 0.619 4.959 4.340 0.001 0.000 0.268 979 L C -1.181 175.718 176.870 0.049 0.000 0.997 979 L CA -1.177 53.716 54.840 0.088 0.000 0.818 979 L CB 2.657 44.766 42.059 0.084 0.000 1.310 979 L HN -0.349 nan 8.230 nan 0.000 0.416 980 V N 3.895 123.836 119.914 0.045 0.000 2.284 980 V HA 0.448 4.568 4.120 0.001 0.000 0.274 980 V C -0.093 176.026 176.094 0.042 0.000 1.023 980 V CA -0.204 62.111 62.300 0.025 0.000 0.808 980 V CB 0.973 32.801 31.823 0.009 0.000 1.035 980 V HN 0.485 nan 8.190 nan 0.000 0.445 981 I N 3.319 123.918 120.570 0.049 0.000 2.404 981 I HA 0.405 4.575 4.170 0.001 0.000 0.293 981 I C -0.062 176.071 176.117 0.027 0.000 0.992 981 I CA -0.948 60.390 61.300 0.063 0.000 1.149 981 I CB 2.091 40.163 38.000 0.121 0.000 1.315 981 I HN 0.462 nan 8.210 nan 0.000 0.446 982 Q N 4.279 124.080 119.800 0.003 0.000 2.239 982 Q HA 0.239 4.579 4.340 0.001 0.000 0.286 982 Q C 0.978 176.974 176.000 -0.006 0.000 1.102 982 Q CA 0.833 56.628 55.803 -0.013 0.000 0.936 982 Q CB 0.043 28.759 28.738 -0.037 0.000 1.127 982 Q HN 0.909 nan 8.270 nan 0.000 0.380 983 G N 2.896 111.695 108.800 -0.002 0.000 2.273 983 G HA2 -0.347 3.613 3.960 0.001 0.000 0.280 983 G HA3 -0.347 3.613 3.960 0.001 0.000 0.280 983 G C 0.651 175.560 174.900 0.015 0.000 1.047 983 G CA 0.340 45.442 45.100 0.003 0.000 0.869 983 G HN 0.703 nan 8.290 nan 0.000 0.502 984 D N 1.241 121.653 120.400 0.021 0.000 2.137 984 D HA -0.158 4.482 4.640 0.001 0.000 0.193 984 D C 2.400 178.721 176.300 0.035 0.000 0.993 984 D CA 1.562 55.583 54.000 0.035 0.000 0.846 984 D CB -0.090 40.728 40.800 0.031 0.000 0.990 984 D HN 0.577 nan 8.370 nan 0.000 0.448 985 E N 1.229 121.443 120.200 0.023 0.000 2.393 985 E HA -0.248 4.102 4.350 0.001 0.000 0.201 985 E C 1.600 178.216 176.600 0.027 0.000 1.025 985 E CA 0.802 57.215 56.400 0.022 0.000 0.856 985 E CB -0.803 28.903 29.700 0.010 0.000 0.771 985 E HN 0.539 nan 8.360 nan 0.000 0.526 986 R N 0.120 120.636 120.500 0.026 0.000 2.391 986 R HA 0.306 4.647 4.340 0.001 0.000 0.249 986 R C 0.533 176.855 176.300 0.036 0.000 0.957 986 R CA -0.161 55.956 56.100 0.027 0.000 1.093 986 R CB -0.081 30.229 30.300 0.017 0.000 1.156 986 R HN 0.033 nan 8.270 nan 0.000 0.526 987 M N 0.556 120.187 119.600 0.051 0.000 2.478 987 M HA 0.423 4.903 4.480 0.001 0.000 0.327 987 M C -0.419 175.932 176.300 0.085 0.000 1.187 987 M CA -0.265 55.073 55.300 0.064 0.000 1.022 987 M CB 1.928 34.571 32.600 0.072 0.000 1.629 987 M HN 0.412 nan 8.290 nan 0.000 0.461 988 H N 1.269 120.386 119.070 0.078 0.000 3.087 988 H HA 0.690 5.246 4.556 0.001 0.000 0.348 988 H C -1.968 173.392 175.328 0.053 0.000 1.092 988 H CA -0.935 55.170 56.048 0.096 0.000 1.285 988 H CB 0.896 30.714 29.762 0.092 0.000 1.875 988 H HN 0.775 nan 8.280 nan 0.000 0.512 1003 D N -0.573 119.816 120.400 -0.019 0.000 4.823 1003 D HA 0.571 5.211 4.640 0.001 0.000 0.357 1003 D C 0.132 176.429 176.300 -0.004 0.000 1.752 1003 D CA 0.776 54.771 54.000 -0.008 0.000 1.000 1003 D CB 0.429 41.227 40.800 -0.004 0.000 1.515 1003 D HN 0.261 nan 8.370 nan 0.000 0.670 1004 E N -0.584 119.616 120.200 -0.001 0.000 8.256 1004 E HA 0.045 4.395 4.350 0.001 0.000 0.535 1004 E C 0.398 176.998 176.600 -0.000 0.000 1.444 1004 E CA 1.342 57.742 56.400 0.000 0.000 2.702 1004 E CB -2.392 27.308 29.700 0.001 0.000 1.002 1004 E HN 1.008 nan 8.360 nan 0.000 0.282 1005 E N -1.368 118.832 120.200 -0.000 0.000 3.431 1005 E HA -0.284 4.066 4.350 0.001 0.000 0.294 1005 E C 0.850 177.448 176.600 -0.004 0.000 1.487 1005 E CA 1.385 57.784 56.400 -0.002 0.000 2.027 1005 E CB -0.847 28.852 29.700 -0.001 0.000 1.966 1005 E HN 0.981 nan 8.360 nan 0.000 0.482 1006 D N -0.297 120.100 120.400 -0.006 0.000 2.083 1006 D HA 0.017 4.658 4.640 0.001 0.000 0.225 1006 D C 1.378 177.674 176.300 -0.007 0.000 0.974 1006 D CA 2.038 56.034 54.000 -0.008 0.000 0.906 1006 D CB 0.075 40.868 40.800 -0.013 0.000 1.028 1006 D HN 0.501 nan 8.370 nan 0.000 0.446 1007 M N -1.363 118.231 119.600 -0.009 0.000 2.990 1007 M HA -0.241 4.239 4.480 0.001 0.000 0.206 1007 M C 0.091 176.386 176.300 -0.007 0.000 0.594 1007 M CA 0.676 55.971 55.300 -0.008 0.000 0.787 1007 M CB -1.231 31.367 32.600 -0.003 0.000 2.812 1007 M HN 0.103 nan 8.290 nan 0.000 0.300 1008 D N 0.881 121.275 120.400 -0.010 0.000 2.178 1008 D HA -0.045 4.596 4.640 0.001 0.000 0.202 1008 D C 1.349 177.641 176.300 -0.014 0.000 0.974 1008 D CA 1.274 55.269 54.000 -0.009 0.000 0.841 1008 D CB 0.130 40.924 40.800 -0.010 0.000 0.953 1008 D HN 0.419 nan 8.370 nan 0.000 0.478 1009 D N -0.458 119.929 120.400 -0.022 0.000 2.431 1009 D HA 0.071 4.712 4.640 0.001 0.000 0.213 1009 D C -0.366 175.909 176.300 -0.041 0.000 1.130 1009 D CA -0.018 53.962 54.000 -0.032 0.000 0.834 1009 D CB 1.037 41.811 40.800 -0.044 0.000 0.985 1009 D HN -0.045 nan 8.370 nan 0.000 0.504 1010 V N 1.714 121.610 119.914 -0.029 0.000 2.529 1010 V HA 0.079 4.200 4.120 0.001 0.000 0.292 1010 V C 0.468 176.550 176.094 -0.019 0.000 1.028 1010 V CA 0.145 62.429 62.300 -0.028 0.000 1.074 1010 V CB 1.320 33.133 31.823 -0.015 0.000 0.958 1010 V HN -0.172 nan 8.190 nan 0.000 0.481 1011 V N 4.339 124.238 119.914 -0.025 0.000 2.876 1011 V HA 0.389 4.510 4.120 0.001 0.000 0.312 1011 V C -0.118 175.980 176.094 0.007 0.000 1.085 1011 V CA -0.903 61.396 62.300 -0.002 0.000 0.945 1011 V CB 2.162 33.992 31.823 0.011 0.000 1.017 1011 V HN 0.888 nan 8.190 nan 0.000 0.428 1012 D N 2.115 122.528 120.400 0.021 0.000 2.341 1012 D HA 0.302 4.943 4.640 0.001 0.000 0.245 1012 D C 1.025 177.359 176.300 0.057 0.000 1.106 1012 D CA 0.330 54.344 54.000 0.024 0.000 0.905 1012 D CB 2.306 43.110 40.800 0.007 0.000 1.202 1012 D HN 0.649 nan 8.370 nan 0.000 0.426 1013 A N 3.438 126.298 122.820 0.067 0.000 2.019 1013 A HA -0.168 4.153 4.320 0.001 0.000 0.219 1013 A C 1.523 179.185 177.584 0.129 0.000 1.164 1013 A CA 1.082 53.201 52.037 0.137 0.000 0.644 1013 A CB -0.088 18.986 19.000 0.124 0.000 0.805 1013 A HN 0.602 nan 8.150 nan 0.000 0.449 1014 D N -0.363 120.067 120.400 0.049 0.000 2.350 1014 D HA -0.033 4.607 4.640 0.001 0.000 0.216 1014 D C 0.834 177.152 176.300 0.030 0.000 0.968 1014 D CA 0.950 54.958 54.000 0.014 0.000 0.894 1014 D CB 0.011 40.782 40.800 -0.048 0.000 0.909 1014 D HN 0.545 nan 8.370 nan 0.000 0.520 1015 E N -1.157 119.082 120.200 0.065 0.000 2.603 1015 E HA 0.080 4.430 4.350 0.001 0.000 0.211 1015 E C -0.574 176.100 176.600 0.124 0.000 0.995 1015 E CA -0.297 56.142 56.400 0.065 0.000 0.990 1015 E CB 0.325 30.055 29.700 0.049 0.000 1.036 1015 E HN 0.228 nan 8.360 nan 0.000 0.475 1016 Y N 1.353 121.660 120.300 0.012 0.000 2.478 1016 Y HA 0.465 5.015 4.550 0.001 0.000 0.329 1016 Y C -1.261 174.660 175.900 0.034 0.000 0.967 1016 Y CA -0.976 57.138 58.100 0.022 0.000 1.255 1016 Y CB 0.310 38.796 38.460 0.043 0.000 1.103 1016 Y HN -0.158 nan 8.280 nan 0.000 0.497 1017 L N 7.835 128.814 121.223 -0.406 0.000 2.410 1017 L HA 0.569 4.909 4.340 0.001 0.000 0.270 1017 L C -0.886 175.740 176.870 -0.408 0.000 0.983 1017 L CA -0.871 53.763 54.840 -0.344 0.000 0.822 1017 L CB 2.344 44.313 42.059 -0.149 0.000 1.285 1017 L HN 0.595 nan 8.230 nan 0.000 0.409 1018 I N 3.036 123.398 120.570 -0.346 0.000 2.577 1018 I HA 0.554 4.724 4.170 0.001 0.000 0.305 1018 I C -1.431 174.617 176.117 -0.114 0.000 0.986 1018 I CA -1.580 59.595 61.300 -0.210 0.000 1.189 1018 I CB 1.784 39.691 38.000 -0.156 0.000 1.355 1018 I HN 0.612 nan 8.210 nan 0.000 0.476 1019 P HA 0.000 nan 4.420 nan 0.000 0.216 1019 P CA 0.000 63.071 63.100 -0.048 0.000 0.800 1019 P CB 0.000 31.680 31.700 -0.034 0.000 0.726