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 1svt_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 3 A N 2.039 124.850 122.820 -0.015 0.000 2.565 3 A HA 0.491 4.811 4.320 -0.000 0.000 0.237 3 A C 0.309 177.880 177.584 -0.022 0.000 1.053 3 A CA 0.436 52.465 52.037 -0.012 0.000 0.755 3 A CB -0.118 18.877 19.000 -0.008 0.000 0.980 3 A HN 0.601 nan 8.150 nan 0.000 0.506 4 K N 1.691 122.081 120.400 -0.018 0.000 2.123 4 K HA 0.378 4.698 4.320 -0.000 0.000 0.248 4 K C -0.953 175.637 176.600 -0.018 0.000 0.969 4 K CA -0.672 55.598 56.287 -0.028 0.000 0.882 4 K CB 1.309 33.797 32.500 -0.020 0.000 1.080 4 K HN 0.721 nan 8.250 nan 0.000 0.441 5 D N 1.494 121.875 120.400 -0.032 0.000 2.256 5 D HA 0.275 4.915 4.640 -0.000 0.000 0.240 5 D C -1.172 175.182 176.300 0.091 0.000 1.062 5 D CA -0.544 53.469 54.000 0.021 0.000 0.832 5 D CB 1.267 42.048 40.800 -0.032 0.000 1.135 5 D HN 0.251 nan 8.370 nan 0.000 0.484 6 V N 1.289 121.243 119.914 0.067 0.000 2.495 6 V HA 0.669 4.789 4.120 -0.000 0.000 0.298 6 V C -0.786 175.203 176.094 -0.174 0.000 1.031 6 V CA -0.617 61.649 62.300 -0.056 0.000 0.871 6 V CB 1.753 33.446 31.823 -0.216 0.000 0.988 6 V HN 0.369 nan 8.190 nan 0.000 0.432 7 K N 4.309 124.504 120.400 -0.342 0.000 2.371 7 K HA 0.645 4.965 4.320 -0.000 0.000 0.251 7 K C -1.707 174.560 176.600 -0.555 0.000 0.934 7 K CA -0.461 55.566 56.287 -0.432 0.000 0.798 7 K CB 2.430 34.528 32.500 -0.670 0.000 1.204 7 K HN 0.738 nan 8.250 nan 0.000 0.427 8 F N 0.198 120.084 119.950 -0.107 0.000 2.492 8 F HA 0.354 4.881 4.527 -0.000 0.000 0.327 8 F C 1.329 177.079 175.800 -0.084 0.000 1.079 8 F CA 0.403 58.359 58.000 -0.074 0.000 0.967 8 F CB 1.839 40.814 39.000 -0.042 0.000 1.169 8 F HN 0.873 nan 8.300 nan 0.000 0.472 9 G N 2.434 111.336 108.800 0.171 0.000 2.629 9 G HA2 -0.520 3.440 3.960 -0.000 0.000 0.313 9 G HA3 -0.520 3.440 3.960 -0.000 0.000 0.313 9 G C 1.022 175.935 174.900 0.020 0.000 1.217 9 G CA 1.142 46.294 45.100 0.087 0.000 0.994 9 G HN 0.831 nan 8.290 nan 0.000 0.549 10 N N 0.914 119.622 118.700 0.013 0.000 2.120 10 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 10 N C 1.722 177.210 175.510 -0.038 0.000 1.024 10 N CA 2.399 55.443 53.050 -0.010 0.000 0.852 10 N CB -0.241 38.242 38.487 -0.006 0.000 1.003 10 N HN 0.516 nan 8.380 nan 0.000 0.424 11 D N 0.229 120.600 120.400 -0.047 0.000 2.097 11 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 11 D C 1.967 178.158 176.300 -0.181 0.000 0.989 11 D CA 1.464 55.406 54.000 -0.097 0.000 0.827 11 D CB -0.884 39.855 40.800 -0.101 0.000 0.966 11 D HN 0.425 nan 8.370 nan 0.000 0.456 12 A N 1.056 123.736 122.820 -0.233 0.000 1.915 12 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 12 A C 2.201 179.666 177.584 -0.199 0.000 1.198 12 A CA 2.021 53.857 52.037 -0.334 0.000 0.647 12 A CB -0.610 18.238 19.000 -0.252 0.000 0.825 12 A HN 0.142 nan 8.150 nan 0.000 0.456 13 R N -1.100 119.336 120.500 -0.106 0.000 2.066 13 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 13 R C 2.160 178.432 176.300 -0.045 0.000 1.131 13 R CA 1.410 57.476 56.100 -0.057 0.000 0.955 13 R CB -0.588 29.694 30.300 -0.030 0.000 0.851 13 R HN 0.397 nan 8.270 nan 0.000 0.432 14 V N 2.024 121.910 119.914 -0.047 0.000 2.252 14 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 14 V C 2.287 178.365 176.094 -0.027 0.000 1.056 14 V CA 1.782 64.064 62.300 -0.031 0.000 1.022 14 V CB -0.451 31.356 31.823 -0.028 0.000 0.641 14 V HN 0.303 nan 8.190 nan 0.000 0.445 15 K N -0.497 119.872 120.400 -0.051 0.000 2.009 15 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 15 K C 2.162 178.771 176.600 0.015 0.000 1.049 15 K CA 1.991 58.271 56.287 -0.012 0.000 0.929 15 K CB -0.688 31.798 32.500 -0.023 0.000 0.714 15 K HN 0.433 nan 8.250 nan 0.000 0.440 16 M N 0.789 120.385 119.600 -0.007 0.000 2.143 16 M HA -0.222 4.258 4.480 -0.000 0.000 0.258 16 M C 2.128 178.439 176.300 0.018 0.000 1.071 16 M CA 1.414 56.725 55.300 0.018 0.000 1.088 16 M CB -0.071 32.529 32.600 0.000 0.000 1.360 16 M HN 0.114 nan 8.290 nan 0.000 0.404 17 L N 0.023 121.250 121.223 0.007 0.000 2.095 17 L HA -0.083 4.257 4.340 -0.000 0.000 0.204 17 L C 2.209 179.087 176.870 0.014 0.000 1.080 17 L CA 1.648 56.494 54.840 0.009 0.000 0.759 17 L CB -0.521 41.540 42.059 0.003 0.000 0.914 17 L HN 0.174 nan 8.230 nan 0.000 0.439 18 R N -0.341 120.168 120.500 0.015 0.000 2.127 18 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 18 R C 2.119 178.433 176.300 0.023 0.000 1.134 18 R CA 1.086 57.197 56.100 0.019 0.000 0.975 18 R CB -0.842 29.471 30.300 0.022 0.000 0.865 18 R HN 0.605 nan 8.270 nan 0.000 0.447 19 G N 0.606 109.423 108.800 0.029 0.000 2.464 19 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 19 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 19 G C 1.464 176.378 174.900 0.024 0.000 1.218 19 G CA 0.943 46.062 45.100 0.032 0.000 0.794 19 G HN 0.122 nan 8.290 nan 0.000 0.542 20 V N 1.764 121.691 119.914 0.022 0.000 2.250 20 V HA -0.372 3.748 4.120 -0.000 0.000 0.253 20 V C 2.498 178.602 176.094 0.016 0.000 1.065 20 V CA 2.476 64.787 62.300 0.018 0.000 1.039 20 V CB -1.138 30.695 31.823 0.017 0.000 0.647 20 V HN 0.468 nan 8.190 nan 0.000 0.446 21 N N -0.057 118.652 118.700 0.015 0.000 2.069 21 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 21 N C 1.764 177.281 175.510 0.012 0.000 1.031 21 N CA 1.511 54.568 53.050 0.012 0.000 0.852 21 N CB -0.366 38.128 38.487 0.011 0.000 1.018 21 N HN 0.325 nan 8.380 nan 0.000 0.423 22 V N 1.734 121.656 119.914 0.013 0.000 2.252 22 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 22 V C 2.225 178.324 176.094 0.010 0.000 1.056 22 V CA 1.353 63.659 62.300 0.011 0.000 1.022 22 V CB -0.668 31.162 31.823 0.012 0.000 0.641 22 V HN 0.359 nan 8.190 nan 0.000 0.445 23 L N 0.831 122.061 121.223 0.011 0.000 1.933 23 L HA -0.183 4.157 4.340 -0.000 0.000 0.220 23 L C 2.603 179.479 176.870 0.010 0.000 1.078 23 L CA 2.918 57.764 54.840 0.011 0.000 0.773 23 L CB -1.806 40.260 42.059 0.012 0.000 0.890 23 L HN 0.315 nan 8.230 nan 0.000 0.434 24 A N -0.112 122.715 122.820 0.012 0.000 1.894 24 A HA -0.327 3.993 4.320 -0.000 0.000 0.220 24 A C 1.929 179.519 177.584 0.010 0.000 1.237 24 A CA 2.417 54.461 52.037 0.012 0.000 0.660 24 A CB -1.220 17.788 19.000 0.013 0.000 0.835 24 A HN 0.678 nan 8.150 nan 0.000 0.461 25 D N -0.341 120.064 120.400 0.009 0.000 2.190 25 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 25 D C 2.090 178.393 176.300 0.005 0.000 0.992 25 D CA 1.550 55.554 54.000 0.007 0.000 0.854 25 D CB -0.396 40.407 40.800 0.006 0.000 0.936 25 D HN 0.523 nan 8.370 nan 0.000 0.462 26 A N 0.205 123.029 122.820 0.005 0.000 1.930 26 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 26 A C 2.482 180.068 177.584 0.004 0.000 1.176 26 A CA 0.683 52.721 52.037 0.003 0.000 0.632 26 A CB -0.341 18.661 19.000 0.003 0.000 0.819 26 A HN 0.136 nan 8.150 nan 0.000 0.445 27 V N 0.130 120.047 119.914 0.006 0.000 2.283 27 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 27 V C 2.267 178.365 176.094 0.007 0.000 1.039 27 V CA 2.032 64.336 62.300 0.006 0.000 1.016 27 V CB -0.755 31.073 31.823 0.009 0.000 0.650 27 V HN 0.509 nan 8.190 nan 0.000 0.449 28 K N 0.352 120.757 120.400 0.008 0.000 2.169 28 K HA -0.285 4.035 4.320 -0.000 0.000 0.213 28 K C 1.919 178.523 176.600 0.007 0.000 1.050 28 K CA 2.209 58.501 56.287 0.008 0.000 0.935 28 K CB -0.684 31.821 32.500 0.008 0.000 0.722 28 K HN 0.606 nan 8.250 nan 0.000 0.468 29 V N -1.037 118.879 119.914 0.005 0.000 3.078 29 V HA -0.119 4.001 4.120 -0.000 0.000 0.265 29 V C 1.882 177.978 176.094 0.003 0.000 1.122 29 V CA 1.944 64.246 62.300 0.003 0.000 1.141 29 V CB -0.929 30.895 31.823 0.001 0.000 0.735 29 V HN 0.373 nan 8.190 nan 0.000 0.498 30 T N -2.143 112.413 114.554 0.003 0.000 3.129 30 T HA 0.273 4.623 4.350 -0.000 0.000 0.251 30 T C 0.525 175.228 174.700 0.004 0.000 1.117 30 T CA -0.055 62.046 62.100 0.002 0.000 1.034 30 T CB -0.171 68.697 68.868 0.001 0.000 0.968 30 T HN 0.388 nan 8.240 nan 0.000 0.526 31 L N 2.476 123.703 121.223 0.007 0.000 2.416 31 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 31 L C 0.729 177.605 176.870 0.010 0.000 1.161 31 L CA 1.494 56.340 54.840 0.009 0.000 0.845 31 L CB -0.311 41.756 42.059 0.013 0.000 1.119 31 L HN 0.659 nan 8.230 nan 0.000 0.464 32 G N 4.301 113.106 108.800 0.009 0.000 2.710 32 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.668 32 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.668 32 G C -2.203 172.698 174.900 0.002 0.000 1.320 32 G CA -0.279 44.826 45.100 0.008 0.000 0.860 32 G HN 0.579 nan 8.290 nan 0.000 0.538 33 P HA 0.006 nan 4.420 nan 0.000 0.221 33 P C 0.956 178.251 177.300 -0.008 0.000 1.150 33 P CA 1.260 64.354 63.100 -0.011 0.000 0.800 33 P CB 0.091 31.776 31.700 -0.024 0.000 0.787 34 K N 0.497 120.896 120.400 -0.001 0.000 2.520 34 K HA 0.227 4.547 4.320 -0.000 0.000 0.205 34 K C 1.049 177.650 176.600 0.003 0.000 1.035 34 K CA -0.264 56.024 56.287 0.001 0.000 1.188 34 K CB 0.068 32.572 32.500 0.006 0.000 0.894 34 K HN 0.071 nan 8.250 nan 0.000 0.497 35 G N 1.499 110.300 108.800 0.002 0.000 2.398 35 G HA2 0.053 4.013 3.960 -0.000 0.000 0.246 35 G HA3 0.053 4.013 3.960 -0.000 0.000 0.246 35 G C -0.045 174.854 174.900 -0.001 0.000 1.289 35 G CA -0.323 44.778 45.100 0.002 0.000 0.869 35 G HN 0.223 nan 8.290 nan 0.000 0.543 36 R N 1.155 121.655 120.500 -0.001 0.000 2.705 36 R HA 0.367 4.707 4.340 -0.000 0.000 0.246 36 R C -0.334 175.964 176.300 -0.004 0.000 1.142 36 R CA -0.984 55.114 56.100 -0.003 0.000 1.114 36 R CB 0.843 31.141 30.300 -0.002 0.000 1.256 36 R HN 0.483 nan 8.270 nan 0.000 0.536 37 N N -0.272 118.425 118.700 -0.005 0.000 2.459 37 N HA 0.374 5.114 4.740 -0.000 0.000 0.288 37 N C -0.864 174.642 175.510 -0.007 0.000 1.186 37 N CA -0.521 52.526 53.050 -0.006 0.000 0.917 37 N CB 1.802 40.285 38.487 -0.008 0.000 1.219 37 N HN 0.117 nan 8.380 nan 0.000 0.525 38 V N 0.787 120.696 119.914 -0.008 0.000 2.667 38 V HA 0.418 4.538 4.120 -0.000 0.000 0.308 38 V C -0.051 176.035 176.094 -0.013 0.000 1.048 38 V CA -0.825 61.469 62.300 -0.009 0.000 0.928 38 V CB 2.084 33.903 31.823 -0.007 0.000 1.004 38 V HN 0.297 nan 8.190 nan 0.000 0.444 39 V N 5.448 125.351 119.914 -0.017 0.000 2.398 39 V HA 0.478 4.598 4.120 -0.000 0.000 0.286 39 V C -0.357 175.719 176.094 -0.030 0.000 1.026 39 V CA -0.409 61.876 62.300 -0.024 0.000 0.868 39 V CB 1.364 33.172 31.823 -0.026 0.000 0.982 39 V HN 0.613 nan 8.190 nan 0.000 0.443 40 L N 3.883 125.085 121.223 -0.036 0.000 2.316 40 L HA 0.492 4.832 4.340 -0.000 0.000 0.280 40 L C 0.013 176.834 176.870 -0.082 0.000 1.006 40 L CA -0.568 54.245 54.840 -0.045 0.000 0.836 40 L CB 1.458 43.501 42.059 -0.027 0.000 1.221 40 L HN 0.510 nan 8.230 nan 0.000 0.418 41 D N 3.408 123.745 120.400 -0.104 0.000 2.390 41 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 41 D C -0.422 175.695 176.300 -0.305 0.000 1.189 41 D CA 0.637 54.535 54.000 -0.170 0.000 0.887 41 D CB 0.757 41.469 40.800 -0.147 0.000 1.198 41 D HN 0.369 nan 8.370 nan 0.000 0.444 42 K N 0.830 120.931 120.400 -0.498 0.000 2.690 42 K HA 0.125 4.445 4.320 -0.000 0.000 0.264 42 K C 0.862 176.780 176.600 -1.137 0.000 1.040 42 K CA -0.337 55.244 56.287 -1.177 0.000 0.946 42 K CB 1.178 33.203 32.500 -0.792 0.000 1.268 42 K HN 0.356 nan 8.250 nan 0.000 0.473 43 S N 3.087 118.135 115.700 -1.086 0.000 2.365 43 S HA -0.236 4.234 4.470 -0.000 0.000 0.221 43 S C 1.522 176.063 174.600 -0.097 0.000 1.037 43 S CA 1.484 59.495 58.200 -0.316 0.000 1.060 43 S CB -0.797 62.408 63.200 0.008 0.000 0.974 43 S HN 0.532 nan 8.310 nan 0.000 0.427 44 F N 2.559 122.505 119.950 -0.006 0.000 2.844 44 F HA -0.222 4.305 4.527 -0.000 0.000 0.287 44 F C 1.868 177.665 175.800 -0.005 0.000 1.316 44 F CA 0.630 58.627 58.000 -0.006 0.000 1.489 44 F CB -2.102 36.894 39.000 -0.006 0.000 0.760 44 F HN 0.583 nan 8.300 nan 0.000 0.571 45 G N -1.055 107.832 108.800 0.144 0.000 2.890 45 G HA2 0.653 4.613 3.960 -0.000 0.000 0.189 45 G HA3 0.653 4.613 3.960 -0.000 0.000 0.189 45 G C -0.493 174.392 174.900 -0.024 0.000 1.342 45 G CA -0.294 44.837 45.100 0.052 0.000 1.026 45 G HN 0.768 nan 8.290 nan 0.000 0.579 46 A N -0.093 122.716 122.820 -0.018 0.000 2.386 46 A HA 0.610 4.930 4.320 -0.000 0.000 0.246 46 A C -1.876 175.669 177.584 -0.065 0.000 1.089 46 A CA -0.534 51.480 52.037 -0.039 0.000 0.790 46 A CB -0.432 18.555 19.000 -0.022 0.000 1.042 46 A HN 0.421 nan 8.150 nan 0.000 0.497 47 P HA 0.242 nan 4.420 nan 0.000 0.274 47 P C -0.270 177.000 177.300 -0.049 0.000 1.264 47 P CA 0.134 63.184 63.100 -0.082 0.000 0.795 47 P CB 0.412 32.070 31.700 -0.070 0.000 1.064 48 T N 0.858 115.386 114.554 -0.043 0.000 2.812 48 T HA 0.547 4.897 4.350 -0.000 0.000 0.282 48 T C -0.258 174.430 174.700 -0.020 0.000 0.990 48 T CA -0.245 61.842 62.100 -0.022 0.000 0.960 48 T CB 0.115 68.974 68.868 -0.014 0.000 0.948 48 T HN 0.081 nan 8.240 nan 0.000 0.438 49 I N 2.725 123.286 120.570 -0.014 0.000 2.392 49 I HA 0.595 4.765 4.170 -0.000 0.000 0.295 49 I C 0.523 176.634 176.117 -0.010 0.000 0.985 49 I CA -0.072 61.220 61.300 -0.013 0.000 1.221 49 I CB 1.968 39.961 38.000 -0.012 0.000 1.366 49 I HN 0.467 nan 8.210 nan 0.000 0.467 50 T N 4.084 118.633 114.554 -0.009 0.000 2.889 50 T HA 0.308 4.658 4.350 -0.000 0.000 0.315 50 T C -0.016 174.680 174.700 -0.007 0.000 1.291 50 T CA -0.629 61.466 62.100 -0.008 0.000 1.028 50 T CB 1.404 70.268 68.868 -0.006 0.000 1.235 50 T HN 0.691 nan 8.240 nan 0.000 0.491 51 K N 1.353 121.749 120.400 -0.008 0.000 2.358 51 K HA 0.239 4.559 4.320 -0.000 0.000 0.200 51 K C -0.283 176.313 176.600 -0.006 0.000 1.030 51 K CA -0.078 56.205 56.287 -0.007 0.000 1.097 51 K CB 0.382 32.878 32.500 -0.007 0.000 0.862 51 K HN 0.469 nan 8.250 nan 0.000 0.534 52 D N -0.402 119.994 120.400 -0.008 0.000 2.428 52 D HA 0.171 4.811 4.640 -0.000 0.000 0.221 52 D C 1.166 177.462 176.300 -0.007 0.000 1.123 52 D CA -0.176 53.818 54.000 -0.011 0.000 0.869 52 D CB 1.155 41.944 40.800 -0.018 0.000 1.032 52 D HN 0.203 nan 8.370 nan 0.000 0.506 53 G N 2.578 111.376 108.800 -0.003 0.000 2.606 53 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.221 53 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.221 53 G C 1.488 176.388 174.900 0.001 0.000 1.152 53 G CA 1.057 46.158 45.100 0.001 0.000 0.765 53 G HN 0.519 nan 8.290 nan 0.000 0.595 54 V N 0.071 119.984 119.914 -0.002 0.000 2.667 54 V HA -0.060 4.060 4.120 -0.000 0.000 0.252 54 V C 2.806 178.899 176.094 -0.001 0.000 1.065 54 V CA 2.611 64.909 62.300 -0.003 0.000 1.083 54 V CB -0.181 31.637 31.823 -0.008 0.000 0.692 54 V HN 0.334 nan 8.190 nan 0.000 0.468 55 S N -0.309 115.390 115.700 -0.002 0.000 2.357 55 S HA -0.124 4.346 4.470 -0.000 0.000 0.221 55 S C 1.875 176.479 174.600 0.006 0.000 1.031 55 S CA 1.533 59.735 58.200 0.003 0.000 0.982 55 S CB -0.068 63.133 63.200 0.001 0.000 0.853 55 S HN 0.502 nan 8.310 nan 0.000 0.458 56 V N 2.404 122.320 119.914 0.003 0.000 2.252 56 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 56 V C 2.644 178.741 176.094 0.006 0.000 1.056 56 V CA 1.920 64.222 62.300 0.003 0.000 1.022 56 V CB -1.365 30.459 31.823 0.002 0.000 0.641 56 V HN 0.537 nan 8.190 nan 0.000 0.445 57 A N 0.227 123.050 122.820 0.005 0.000 1.849 57 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 57 A C 2.282 179.870 177.584 0.007 0.000 1.202 57 A CA 2.230 54.270 52.037 0.006 0.000 0.629 57 A CB -0.723 18.279 19.000 0.004 0.000 0.834 57 A HN 0.512 nan 8.150 nan 0.000 0.447 58 R N -0.330 120.175 120.500 0.007 0.000 2.294 58 R HA -0.166 4.174 4.340 -0.000 0.000 0.250 58 R C 1.351 177.662 176.300 0.019 0.000 1.181 58 R CA 1.372 57.478 56.100 0.011 0.000 1.016 58 R CB -0.318 29.991 30.300 0.014 0.000 0.869 58 R HN 0.616 nan 8.270 nan 0.000 0.476 59 E N 0.098 120.310 120.200 0.020 0.000 2.400 59 E HA 0.056 4.406 4.350 -0.000 0.000 0.195 59 E C 0.508 177.118 176.600 0.017 0.000 1.012 59 E CA 0.107 56.521 56.400 0.024 0.000 0.875 59 E CB 0.335 30.046 29.700 0.020 0.000 0.859 59 E HN 0.137 nan 8.360 nan 0.000 0.498 60 I N 2.060 122.637 120.570 0.012 0.000 2.496 60 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 60 I C 0.374 176.497 176.117 0.010 0.000 1.080 60 I CA 0.245 61.551 61.300 0.009 0.000 1.404 60 I CB 0.279 38.284 38.000 0.008 0.000 1.403 60 I HN -0.036 nan 8.210 nan 0.000 0.539 61 E N 5.947 126.152 120.200 0.009 0.000 2.311 61 E HA 0.439 4.789 4.350 -0.000 0.000 0.281 61 E C -1.871 174.732 176.600 0.004 0.000 0.905 61 E CA -0.630 55.774 56.400 0.007 0.000 0.778 61 E CB 1.855 31.560 29.700 0.008 0.000 1.240 61 E HN 0.242 nan 8.360 nan 0.000 0.410 62 L N 2.972 124.197 121.223 0.003 0.000 2.331 62 L HA 0.369 4.708 4.340 -0.000 0.000 0.268 62 L C 1.342 178.209 176.870 -0.004 0.000 1.015 62 L CA 0.014 54.856 54.840 0.004 0.000 0.807 62 L CB 1.296 43.362 42.059 0.012 0.000 1.293 62 L HN 0.814 nan 8.230 nan 0.000 0.451 63 E N -0.373 119.825 120.200 -0.002 0.000 2.122 63 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 63 E C -0.003 176.585 176.600 -0.019 0.000 0.977 63 E CA 0.117 56.510 56.400 -0.011 0.000 0.820 63 E CB 0.359 30.055 29.700 -0.008 0.000 0.770 63 E HN 0.644 nan 8.360 nan 0.000 0.462 64 D N 0.765 121.163 120.400 -0.004 0.000 2.383 64 D HA -0.040 4.600 4.640 -0.000 0.000 0.252 64 D C 0.643 176.926 176.300 -0.029 0.000 1.166 64 D CA 0.038 54.037 54.000 -0.001 0.000 0.879 64 D CB 1.129 41.958 40.800 0.049 0.000 1.164 64 D HN -0.094 nan 8.370 nan 0.000 0.462 65 K N 3.358 123.677 120.400 -0.134 0.000 2.217 65 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 65 K C 1.612 178.100 176.600 -0.186 0.000 1.051 65 K CA 0.661 56.818 56.287 -0.216 0.000 0.952 65 K CB -0.126 32.139 32.500 -0.390 0.000 0.736 65 K HN 0.478 nan 8.250 nan 0.000 0.453 66 F N 1.683 121.621 119.950 -0.019 0.000 2.149 66 F HA -0.018 4.509 4.527 -0.000 0.000 0.294 66 F C 2.225 178.016 175.800 -0.015 0.000 1.095 66 F CA 0.827 58.814 58.000 -0.022 0.000 1.276 66 F CB -0.544 38.441 39.000 -0.024 0.000 1.023 66 F HN 0.063 nan 8.300 nan 0.000 0.480 67 E N 0.081 120.399 120.200 0.195 0.000 2.070 67 E HA -0.314 4.036 4.350 -0.000 0.000 0.197 67 E C 1.842 178.481 176.600 0.066 0.000 1.004 67 E CA 1.581 58.042 56.400 0.101 0.000 0.805 67 E CB -0.545 29.198 29.700 0.071 0.000 0.744 67 E HN 0.305 nan 8.360 nan 0.000 0.451 68 N N 0.676 119.403 118.700 0.044 0.000 2.091 68 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 68 N C 1.738 177.264 175.510 0.027 0.000 1.021 68 N CA 1.463 54.525 53.050 0.020 0.000 0.862 68 N CB -0.065 38.418 38.487 -0.007 0.000 1.018 68 N HN 0.119 nan 8.380 nan 0.000 0.429 69 M N -0.714 118.913 119.600 0.045 0.000 2.086 69 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 69 M C 2.162 178.491 176.300 0.047 0.000 1.067 69 M CA 1.613 56.943 55.300 0.049 0.000 1.116 69 M CB -0.696 31.957 32.600 0.089 0.000 1.348 69 M HN 0.329 nan 8.290 nan 0.000 0.407 70 G N 0.196 109.031 108.800 0.058 0.000 2.631 70 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 70 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 70 G C 1.530 176.448 174.900 0.029 0.000 1.214 70 G CA 1.435 46.560 45.100 0.041 0.000 0.785 70 G HN 0.572 nan 8.290 nan 0.000 0.596 71 A N -0.863 121.973 122.820 0.027 0.000 1.972 71 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 71 A C 2.339 179.932 177.584 0.015 0.000 1.169 71 A CA 1.910 53.959 52.037 0.019 0.000 0.635 71 A CB -0.292 18.719 19.000 0.017 0.000 0.810 71 A HN 0.351 nan 8.150 nan 0.000 0.446 72 Q N -1.135 118.674 119.800 0.015 0.000 2.436 72 Q HA 0.051 4.391 4.340 -0.000 0.000 0.209 72 Q C 1.812 177.817 176.000 0.009 0.000 0.965 72 Q CA 0.901 56.710 55.803 0.009 0.000 0.910 72 Q CB -0.139 28.604 28.738 0.007 0.000 0.980 72 Q HN 0.779 nan 8.270 nan 0.000 0.491 73 M N -0.856 118.752 119.600 0.014 0.000 2.447 73 M HA -0.069 4.411 4.480 -0.000 0.000 0.266 73 M C 1.963 178.271 176.300 0.013 0.000 1.120 73 M CA 0.549 55.857 55.300 0.013 0.000 1.166 73 M CB 0.367 32.978 32.600 0.018 0.000 1.349 73 M HN -0.015 nan 8.290 nan 0.000 0.463 74 V N -0.488 119.435 119.914 0.016 0.000 2.626 74 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 74 V C 2.012 178.113 176.094 0.011 0.000 1.067 74 V CA 1.607 63.918 62.300 0.017 0.000 1.081 74 V CB -1.424 30.411 31.823 0.019 0.000 0.686 74 V HN 0.506 nan 8.190 nan 0.000 0.468 75 K N 0.990 121.394 120.400 0.007 0.000 2.519 75 K HA -0.196 4.124 4.320 -0.000 0.000 0.196 75 K C 1.948 178.541 176.600 -0.010 0.000 1.041 75 K CA 1.646 57.933 56.287 0.001 0.000 0.954 75 K CB -0.044 32.458 32.500 0.002 0.000 0.774 75 K HN 0.666 nan 8.250 nan 0.000 0.480 76 E N 0.532 120.725 120.200 -0.011 0.000 2.190 76 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 76 E C 1.958 178.530 176.600 -0.047 0.000 0.978 76 E CA 0.628 57.009 56.400 -0.031 0.000 0.839 76 E CB 0.170 29.855 29.700 -0.026 0.000 0.787 76 E HN 0.270 nan 8.360 nan 0.000 0.473 77 V N 0.437 120.344 119.914 -0.011 0.000 2.231 77 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 77 V C 2.234 178.318 176.094 -0.016 0.000 1.054 77 V CA 2.309 64.615 62.300 0.011 0.000 1.015 77 V CB -0.916 30.945 31.823 0.064 0.000 0.638 77 V HN 0.275 nan 8.190 nan 0.000 0.444 78 A N -0.496 122.323 122.820 -0.002 0.000 1.972 78 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 78 A C 2.553 180.123 177.584 -0.022 0.000 1.169 78 A CA 2.366 54.404 52.037 0.002 0.000 0.635 78 A CB -0.975 18.028 19.000 0.005 0.000 0.810 78 A HN 0.747 nan 8.150 nan 0.000 0.446 79 S N -0.839 114.835 115.700 -0.043 0.000 2.329 79 S HA -0.140 4.330 4.470 -0.000 0.000 0.215 79 S C 2.219 176.756 174.600 -0.105 0.000 1.031 79 S CA 1.457 59.622 58.200 -0.059 0.000 0.985 79 S CB -0.305 62.863 63.200 -0.054 0.000 0.917 79 S HN 0.385 nan 8.310 nan 0.000 0.441 80 K N 1.575 121.860 120.400 -0.192 0.000 2.052 80 K HA -0.136 4.184 4.320 -0.000 0.000 0.215 80 K C 2.275 178.639 176.600 -0.393 0.000 1.053 80 K CA 1.739 57.794 56.287 -0.387 0.000 0.934 80 K CB -1.367 30.714 32.500 -0.699 0.000 0.717 80 K HN 0.435 nan 8.250 nan 0.000 0.450 81 A N 1.889 124.575 122.820 -0.224 0.000 1.896 81 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 81 A C 2.117 179.734 177.584 0.054 0.000 1.206 81 A CA 2.340 54.424 52.037 0.078 0.000 0.647 81 A CB -0.940 18.134 19.000 0.124 0.000 0.828 81 A HN 0.585 nan 8.150 nan 0.000 0.455 82 N N -0.594 118.110 118.700 0.006 0.000 2.205 82 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 82 N C 0.749 176.281 175.510 0.037 0.000 1.015 82 N CA 1.672 54.732 53.050 0.017 0.000 0.862 82 N CB -0.224 38.260 38.487 -0.006 0.000 0.986 82 N HN 0.452 nan 8.380 nan 0.000 0.429 83 D N -0.195 120.207 120.400 0.004 0.000 2.249 83 D HA 0.042 4.682 4.640 -0.000 0.000 0.205 83 D C 1.466 177.796 176.300 0.050 0.000 0.962 83 D CA 0.560 54.568 54.000 0.014 0.000 0.860 83 D CB 0.138 40.914 40.800 -0.040 0.000 0.955 83 D HN 0.368 nan 8.370 nan 0.000 0.505 84 A N 0.690 123.551 122.820 0.068 0.000 1.963 84 A HA 0.447 4.767 4.320 -0.000 0.000 0.211 84 A C 2.051 179.712 177.584 0.129 0.000 1.380 84 A CA 1.028 53.136 52.037 0.118 0.000 0.690 84 A CB -0.648 18.482 19.000 0.216 0.000 1.060 84 A HN 0.154 nan 8.150 nan 0.000 0.498 85 A N -1.366 121.546 122.820 0.152 0.000 1.822 85 A HA 0.375 4.695 4.320 -0.000 0.000 0.214 85 A C 1.915 179.599 177.584 0.167 0.000 1.245 85 A CA 2.308 54.427 52.037 0.136 0.000 0.608 85 A CB -1.054 18.024 19.000 0.131 0.000 0.896 85 A HN 1.928 nan 8.150 nan 0.000 0.457 86 G N -2.253 106.637 108.800 0.150 0.000 2.273 86 G HA2 0.148 4.108 3.960 -0.000 0.000 0.162 86 G HA3 0.148 4.108 3.960 -0.000 0.000 0.162 86 G C -0.333 174.585 174.900 0.031 0.000 1.006 86 G CA 0.626 45.816 45.100 0.150 0.000 0.704 86 G HN 0.881 nan 8.290 nan 0.000 0.487 87 D N -2.159 118.272 120.400 0.051 0.000 2.792 87 D HA 0.532 5.172 4.640 -0.000 0.000 0.335 87 D C 1.141 177.468 176.300 0.045 0.000 1.353 87 D CA 1.135 55.151 54.000 0.028 0.000 0.839 87 D CB 0.443 41.264 40.800 0.034 0.000 1.396 87 D HN 1.362 nan 8.370 nan 0.000 0.479 88 G N -0.401 108.421 108.800 0.036 0.000 2.168 88 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.263 88 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.263 88 G C 0.969 175.898 174.900 0.048 0.000 0.977 88 G CA 1.981 47.107 45.100 0.043 0.000 0.659 88 G HN 0.817 nan 8.290 nan 0.000 0.533 89 T N -2.046 112.530 114.554 0.037 0.000 2.746 89 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 89 T C 2.262 176.979 174.700 0.028 0.000 1.039 89 T CA 2.389 64.508 62.100 0.032 0.000 1.142 89 T CB -0.698 68.179 68.868 0.015 0.000 0.866 89 T HN 0.375 nan 8.240 nan 0.000 0.444 90 T N 1.730 116.297 114.554 0.021 0.000 2.821 90 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 90 T C 2.236 176.951 174.700 0.025 0.000 1.046 90 T CA 1.631 63.742 62.100 0.020 0.000 1.139 90 T CB -0.844 68.033 68.868 0.014 0.000 0.871 90 T HN 0.461 nan 8.240 nan 0.000 0.454 91 T N 2.016 116.587 114.554 0.030 0.000 2.643 91 T HA -0.036 4.314 4.350 -0.000 0.000 0.264 91 T C 2.446 177.168 174.700 0.036 0.000 1.045 91 T CA 1.302 63.421 62.100 0.030 0.000 1.155 91 T CB -0.732 68.155 68.868 0.032 0.000 0.863 91 T HN 0.421 nan 8.240 nan 0.000 0.420 92 A N 1.129 123.978 122.820 0.050 0.000 1.915 92 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 92 A C 2.523 180.140 177.584 0.055 0.000 1.198 92 A CA 2.685 54.763 52.037 0.068 0.000 0.647 92 A CB -1.542 17.521 19.000 0.104 0.000 0.825 92 A HN 0.515 nan 8.150 nan 0.000 0.456 93 T N -0.376 114.204 114.554 0.042 0.000 2.684 93 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 93 T C 1.865 176.582 174.700 0.028 0.000 1.036 93 T CA 1.805 63.925 62.100 0.032 0.000 1.148 93 T CB -0.512 68.370 68.868 0.024 0.000 0.863 93 T HN 0.247 nan 8.240 nan 0.000 0.436 94 V N 1.139 121.069 119.914 0.026 0.000 2.515 94 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 94 V C 2.365 178.472 176.094 0.022 0.000 1.058 94 V CA 1.265 63.578 62.300 0.021 0.000 1.064 94 V CB -0.697 31.137 31.823 0.020 0.000 0.675 94 V HN 0.412 nan 8.190 nan 0.000 0.461 95 L N -0.108 121.131 121.223 0.026 0.000 2.240 95 L HA 0.014 4.354 4.340 -0.000 0.000 0.211 95 L C 2.601 179.486 176.870 0.026 0.000 1.106 95 L CA 1.109 55.964 54.840 0.024 0.000 0.793 95 L CB -0.488 41.587 42.059 0.027 0.000 0.927 95 L HN 0.342 nan 8.230 nan 0.000 0.446 96 A N 0.101 122.939 122.820 0.031 0.000 1.898 96 A HA -0.218 4.102 4.320 -0.000 0.000 0.214 96 A C 2.178 179.777 177.584 0.025 0.000 1.183 96 A CA 1.247 53.303 52.037 0.032 0.000 0.622 96 A CB -0.436 18.587 19.000 0.038 0.000 0.824 96 A HN 0.494 nan 8.150 nan 0.000 0.444 97 Q N 0.014 119.827 119.800 0.022 0.000 2.297 97 Q HA -0.004 4.336 4.340 -0.000 0.000 0.208 97 Q C 1.701 177.710 176.000 0.015 0.000 0.981 97 Q CA 2.088 57.902 55.803 0.017 0.000 0.876 97 Q CB -0.389 28.358 28.738 0.016 0.000 0.921 97 Q HN 0.490 nan 8.270 nan 0.000 0.446 98 A N 0.783 123.613 122.820 0.016 0.000 1.871 98 A HA 0.073 4.393 4.320 -0.000 0.000 0.211 98 A C 2.100 179.691 177.584 0.012 0.000 1.207 98 A CA 0.876 52.920 52.037 0.013 0.000 0.620 98 A CB -0.511 18.497 19.000 0.014 0.000 0.860 98 A HN 0.410 nan 8.150 nan 0.000 0.450 99 I N -0.006 120.573 120.570 0.014 0.000 2.194 99 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 99 I C 2.317 178.442 176.117 0.013 0.000 1.093 99 I CA 1.468 62.776 61.300 0.014 0.000 1.355 99 I CB -0.366 37.644 38.000 0.017 0.000 1.046 99 I HN 0.314 nan 8.210 nan 0.000 0.413 100 I N 0.146 120.725 120.570 0.014 0.000 2.202 100 I HA -0.257 3.912 4.170 -0.000 0.000 0.242 100 I C 2.556 178.679 176.117 0.010 0.000 1.091 100 I CA 1.541 62.849 61.300 0.013 0.000 1.368 100 I CB -0.427 37.582 38.000 0.015 0.000 1.058 100 I HN 0.208 nan 8.210 nan 0.000 0.410 101 T N -0.065 114.495 114.554 0.009 0.000 2.746 101 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 101 T C 1.845 176.549 174.700 0.006 0.000 1.039 101 T CA 1.178 63.283 62.100 0.007 0.000 1.142 101 T CB -0.123 68.749 68.868 0.007 0.000 0.866 101 T HN 0.217 nan 8.240 nan 0.000 0.444 102 E N 0.679 120.883 120.200 0.007 0.000 2.046 102 E HA 0.028 4.378 4.350 -0.000 0.000 0.190 102 E C 2.409 179.012 176.600 0.006 0.000 0.982 102 E CA 0.994 57.397 56.400 0.006 0.000 0.800 102 E CB -1.014 28.690 29.700 0.006 0.000 0.756 102 E HN 0.497 nan 8.360 nan 0.000 0.449 103 G N 1.953 110.758 108.800 0.007 0.000 2.739 103 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 103 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 103 G C 1.648 176.552 174.900 0.006 0.000 1.298 103 G CA 1.428 46.533 45.100 0.007 0.000 0.804 103 G HN 0.281 nan 8.290 nan 0.000 0.623 104 L N 0.415 121.641 121.223 0.005 0.000 2.151 104 L HA -0.191 4.149 4.340 -0.000 0.000 0.215 104 L C 2.802 179.674 176.870 0.002 0.000 1.084 104 L CA 1.767 56.609 54.840 0.003 0.000 0.764 104 L CB -0.468 41.592 42.059 0.002 0.000 0.891 104 L HN 0.272 nan 8.230 nan 0.000 0.435 105 K N 0.311 120.712 120.400 0.003 0.000 2.097 105 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 105 K C 2.155 178.756 176.600 0.002 0.000 1.049 105 K CA 1.308 57.596 56.287 0.002 0.000 0.933 105 K CB -0.027 32.474 32.500 0.002 0.000 0.717 105 K HN 0.347 nan 8.250 nan 0.000 0.442 106 A N 0.280 123.101 122.820 0.003 0.000 1.930 106 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 106 A C 2.144 179.729 177.584 0.003 0.000 1.176 106 A CA 0.910 52.949 52.037 0.003 0.000 0.632 106 A CB -0.327 18.675 19.000 0.004 0.000 0.819 106 A HN 0.124 nan 8.150 nan 0.000 0.445 107 V N 0.150 120.066 119.914 0.003 0.000 2.343 107 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 107 V C 2.963 179.059 176.094 0.002 0.000 1.051 107 V CA 1.882 64.184 62.300 0.004 0.000 1.036 107 V CB -1.144 30.682 31.823 0.005 0.000 0.654 107 V HN 0.579 nan 8.190 nan 0.000 0.451 108 A N -0.221 122.600 122.820 0.001 0.000 2.121 108 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 108 A C 2.097 179.681 177.584 -0.000 0.000 1.154 108 A CA 1.407 53.444 52.037 0.000 0.000 0.679 108 A CB -0.445 18.555 19.000 -0.001 0.000 0.795 108 A HN 0.587 nan 8.150 nan 0.000 0.458 109 A N -1.770 121.050 122.820 0.000 0.000 2.302 109 A HA 0.439 4.759 4.320 -0.000 0.000 0.219 109 A C 1.702 179.286 177.584 -0.000 0.000 1.243 109 A CA 1.041 53.078 52.037 0.000 0.000 0.856 109 A CB -0.903 18.098 19.000 0.001 0.000 0.893 109 A HN 1.739 nan 8.150 nan 0.000 0.491 110 G N -1.745 107.055 108.800 0.000 0.000 2.195 110 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 110 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 110 G C 0.267 175.168 174.900 0.001 0.000 0.984 110 G CA 0.425 45.525 45.100 -0.000 0.000 0.633 110 G HN 0.395 nan 8.290 nan 0.000 0.525 111 M N 0.986 120.587 119.600 0.002 0.000 2.245 111 M HA 0.343 4.823 4.480 -0.000 0.000 0.312 111 M C 0.711 177.013 176.300 0.003 0.000 1.070 111 M CA 0.099 55.400 55.300 0.003 0.000 1.162 111 M CB 0.323 32.925 32.600 0.003 0.000 1.448 111 M HN 0.364 nan 8.290 nan 0.000 0.446 112 N N 2.791 121.493 118.700 0.004 0.000 2.426 112 N HA 0.322 5.062 4.740 -0.000 0.000 0.257 112 N C -2.381 173.133 175.510 0.007 0.000 1.002 112 N CA -1.937 51.116 53.050 0.005 0.000 0.942 112 N CB 1.070 39.559 38.487 0.005 0.000 1.112 112 N HN 0.192 nan 8.380 nan 0.000 0.499 113 P HA -0.140 nan 4.420 nan 0.000 0.215 113 P C 1.438 178.744 177.300 0.010 0.000 1.153 113 P CA 0.942 64.048 63.100 0.009 0.000 0.853 113 P CB 0.122 31.829 31.700 0.011 0.000 0.788 114 M N -0.471 119.136 119.600 0.011 0.000 2.346 114 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 114 M C 1.116 177.421 176.300 0.009 0.000 1.064 114 M CA 1.490 56.796 55.300 0.011 0.000 1.083 114 M CB -1.513 31.093 32.600 0.011 0.000 1.399 114 M HN -0.108 nan 8.290 nan 0.000 0.435 115 D N -0.888 119.516 120.400 0.008 0.000 2.197 115 D HA 0.046 4.686 4.640 -0.000 0.000 0.212 115 D C 2.128 178.432 176.300 0.007 0.000 0.963 115 D CA 0.647 54.651 54.000 0.007 0.000 0.864 115 D CB -0.078 40.725 40.800 0.005 0.000 1.009 115 D HN 0.288 nan 8.370 nan 0.000 0.479 116 L N 1.084 122.311 121.223 0.007 0.000 2.051 116 L HA -0.244 4.096 4.340 -0.000 0.000 0.214 116 L C 2.516 179.391 176.870 0.008 0.000 1.076 116 L CA 1.329 56.173 54.840 0.007 0.000 0.758 116 L CB -0.409 41.654 42.059 0.007 0.000 0.890 116 L HN 0.028 nan 8.230 nan 0.000 0.433 117 K N 0.301 120.706 120.400 0.009 0.000 1.987 117 K HA -0.216 4.104 4.320 -0.000 0.000 0.216 117 K C 2.291 178.896 176.600 0.009 0.000 1.051 117 K CA 1.654 57.947 56.287 0.011 0.000 0.942 117 K CB -0.068 32.439 32.500 0.012 0.000 0.722 117 K HN 0.212 nan 8.250 nan 0.000 0.444 118 R N -0.435 120.070 120.500 0.008 0.000 2.139 118 R HA -0.128 4.212 4.340 -0.000 0.000 0.243 118 R C 2.421 178.724 176.300 0.006 0.000 1.145 118 R CA 1.291 57.395 56.100 0.007 0.000 0.976 118 R CB -0.577 29.727 30.300 0.006 0.000 0.866 118 R HN 0.415 nan 8.270 nan 0.000 0.449 119 G N 1.611 110.415 108.800 0.005 0.000 2.433 119 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 119 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 119 G C 1.483 176.385 174.900 0.004 0.000 1.186 119 G CA 0.592 45.694 45.100 0.004 0.000 0.779 119 G HN 0.148 nan 8.290 nan 0.000 0.543 120 I N 1.099 121.672 120.570 0.006 0.000 2.118 120 I HA -0.203 3.967 4.170 -0.000 0.000 0.241 120 I C 2.384 178.503 176.117 0.004 0.000 1.070 120 I CA 1.615 62.919 61.300 0.006 0.000 1.327 120 I CB -0.117 37.888 38.000 0.009 0.000 1.034 120 I HN 0.091 nan 8.210 nan 0.000 0.405 121 D N 0.321 120.724 120.400 0.005 0.000 2.144 121 D HA -0.208 4.432 4.640 -0.000 0.000 0.200 121 D C 2.067 178.367 176.300 -0.000 0.000 0.978 121 D CA 1.100 55.102 54.000 0.003 0.000 0.833 121 D CB -0.231 40.573 40.800 0.006 0.000 0.961 121 D HN 0.333 nan 8.370 nan 0.000 0.470 122 K N 0.808 121.209 120.400 0.001 0.000 2.057 122 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 122 K C 2.022 178.620 176.600 -0.002 0.000 1.050 122 K CA 1.147 57.433 56.287 -0.000 0.000 0.935 122 K CB 0.025 32.526 32.500 0.001 0.000 0.715 122 K HN -0.004 nan 8.250 nan 0.000 0.439 123 A N 0.766 123.586 122.820 -0.001 0.000 1.877 123 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 123 A C 2.233 179.814 177.584 -0.004 0.000 1.186 123 A CA 1.561 53.597 52.037 -0.001 0.000 0.620 123 A CB -0.709 18.291 19.000 0.001 0.000 0.822 123 A HN 0.169 nan 8.150 nan 0.000 0.443 124 V N 0.342 120.253 119.914 -0.006 0.000 2.324 124 V HA -0.276 3.844 4.120 -0.000 0.000 0.250 124 V C 2.746 178.830 176.094 -0.017 0.000 1.060 124 V CA 2.537 64.829 62.300 -0.013 0.000 1.042 124 V CB -1.342 30.471 31.823 -0.016 0.000 0.650 124 V HN 0.675 nan 8.190 nan 0.000 0.450 125 T N 0.135 114.681 114.554 -0.013 0.000 2.833 125 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 125 T C 1.969 176.662 174.700 -0.012 0.000 1.054 125 T CA 1.473 63.565 62.100 -0.014 0.000 1.135 125 T CB -0.357 68.506 68.868 -0.009 0.000 0.869 125 T HN 0.592 nan 8.240 nan 0.000 0.466 126 A N 1.539 124.353 122.820 -0.009 0.000 1.874 126 A HA 0.394 4.714 4.320 -0.000 0.000 0.214 126 A C 2.716 180.296 177.584 -0.007 0.000 1.189 126 A CA 1.364 53.397 52.037 -0.006 0.000 0.615 126 A CB -1.201 17.796 19.000 -0.004 0.000 0.830 126 A HN 0.481 nan 8.150 nan 0.000 0.443 127 A N -0.393 122.422 122.820 -0.008 0.000 1.948 127 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 127 A C 2.173 179.749 177.584 -0.013 0.000 1.177 127 A CA 1.980 54.011 52.037 -0.009 0.000 0.636 127 A CB -0.892 18.102 19.000 -0.009 0.000 0.815 127 A HN 0.420 nan 8.150 nan 0.000 0.449 128 V N -0.286 119.617 119.914 -0.020 0.000 2.548 128 V HA -0.151 3.969 4.120 -0.000 0.000 0.249 128 V C 2.523 178.607 176.094 -0.017 0.000 1.055 128 V CA 1.923 64.208 62.300 -0.025 0.000 1.065 128 V CB -0.661 31.139 31.823 -0.037 0.000 0.681 128 V HN 0.446 nan 8.190 nan 0.000 0.462 129 E N 0.112 120.304 120.200 -0.013 0.000 2.118 129 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 129 E C 2.312 178.909 176.600 -0.005 0.000 0.992 129 E CA 1.104 57.499 56.400 -0.008 0.000 0.804 129 E CB -0.163 29.533 29.700 -0.006 0.000 0.741 129 E HN 0.529 nan 8.360 nan 0.000 0.458 130 E N 0.024 120.221 120.200 -0.005 0.000 2.051 130 E HA -0.037 4.313 4.350 -0.000 0.000 0.189 130 E C 2.402 179.002 176.600 -0.000 0.000 0.979 130 E CA 0.262 56.662 56.400 -0.001 0.000 0.803 130 E CB -0.287 29.413 29.700 0.001 0.000 0.761 130 E HN 0.267 nan 8.360 nan 0.000 0.451 131 L N 0.963 122.185 121.223 -0.002 0.000 2.089 131 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 131 L C 2.277 179.145 176.870 -0.002 0.000 1.079 131 L CA 1.186 56.025 54.840 -0.002 0.000 0.758 131 L CB -0.485 41.571 42.059 -0.007 0.000 0.891 131 L HN -0.009 nan 8.230 nan 0.000 0.433 132 K N 0.039 120.437 120.400 -0.005 0.000 2.281 132 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 132 K C 1.957 178.557 176.600 -0.000 0.000 1.046 132 K CA 1.304 57.589 56.287 -0.003 0.000 0.938 132 K CB -0.500 31.997 32.500 -0.005 0.000 0.737 132 K HN 0.368 nan 8.250 nan 0.000 0.458 133 A N -0.595 122.226 122.820 0.001 0.000 1.943 133 A HA 0.045 4.365 4.320 -0.000 0.000 0.213 133 A C 1.915 179.503 177.584 0.005 0.000 1.181 133 A CA 0.495 52.533 52.037 0.003 0.000 0.653 133 A CB -0.256 18.745 19.000 0.003 0.000 0.833 133 A HN 0.157 nan 8.150 nan 0.000 0.451 134 L N 0.332 121.560 121.223 0.007 0.000 2.217 134 L HA 0.031 4.370 4.340 -0.000 0.000 0.211 134 L C 1.634 178.510 176.870 0.010 0.000 1.107 134 L CA 1.106 55.952 54.840 0.010 0.000 0.783 134 L CB -0.286 41.780 42.059 0.012 0.000 0.919 134 L HN 0.357 nan 8.230 nan 0.000 0.442 135 S N -0.221 115.484 115.700 0.007 0.000 2.549 135 S HA 0.340 4.810 4.470 -0.000 0.000 0.283 135 S C -0.246 174.358 174.600 0.007 0.000 1.320 135 S CA -0.568 57.636 58.200 0.007 0.000 1.058 135 S CB 0.400 63.603 63.200 0.005 0.000 0.882 135 S HN 0.115 nan 8.310 nan 0.000 0.498 136 V N 2.863 122.782 119.914 0.008 0.000 2.769 136 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 136 V C -2.739 173.359 176.094 0.007 0.000 1.061 136 V CA -2.672 59.633 62.300 0.008 0.000 0.931 136 V CB 0.840 32.669 31.823 0.009 0.000 1.010 136 V HN 0.697 nan 8.190 nan 0.000 0.433 137 P HA 0.255 nan 4.420 nan 0.000 0.270 137 P C -0.652 176.652 177.300 0.006 0.000 1.227 137 P CA -0.109 62.994 63.100 0.005 0.000 0.788 137 P CB 0.380 32.082 31.700 0.004 0.000 0.926 138 C N 1.421 120.724 119.300 0.006 0.000 2.571 138 C HA 0.584 5.044 4.460 -0.000 0.000 0.343 138 C C 0.903 175.896 174.990 0.005 0.000 1.082 138 C CA 0.538 59.560 59.018 0.006 0.000 1.339 138 C CB -0.550 27.194 27.740 0.008 0.000 1.893 138 C HN 0.686 nan 8.230 nan 0.000 0.445 139 S N 2.198 117.901 115.700 0.004 0.000 2.769 139 S HA 0.198 4.668 4.470 -0.000 0.000 0.258 139 S C -0.006 174.596 174.600 0.003 0.000 1.080 139 S CA 0.292 58.494 58.200 0.003 0.000 0.943 139 S CB -0.366 62.836 63.200 0.003 0.000 0.893 139 S HN 0.892 nan 8.310 nan 0.000 0.490 140 D N 2.510 122.912 120.400 0.004 0.000 2.424 140 D HA 0.247 4.887 4.640 -0.000 0.000 0.244 140 D C 0.754 177.057 176.300 0.004 0.000 1.134 140 D CA 0.129 54.131 54.000 0.003 0.000 0.881 140 D CB 1.162 41.964 40.800 0.003 0.000 1.191 140 D HN 0.091 nan 8.370 nan 0.000 0.445 141 S N 1.874 117.576 115.700 0.003 0.000 2.399 141 S HA -0.319 4.151 4.470 -0.000 0.000 0.235 141 S C 1.588 176.190 174.600 0.004 0.000 1.063 141 S CA 2.107 60.310 58.200 0.004 0.000 1.070 141 S CB -0.311 62.891 63.200 0.003 0.000 0.904 141 S HN 0.766 nan 8.310 nan 0.000 0.456 142 K N 1.027 121.429 120.400 0.004 0.000 2.057 142 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 142 K C 2.180 178.782 176.600 0.004 0.000 1.050 142 K CA 1.175 57.464 56.287 0.003 0.000 0.935 142 K CB -0.355 32.147 32.500 0.003 0.000 0.715 142 K HN 0.294 nan 8.250 nan 0.000 0.439 143 A N 1.177 124.000 122.820 0.005 0.000 1.929 143 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 143 A C 2.083 179.671 177.584 0.007 0.000 1.176 143 A CA 1.114 53.154 52.037 0.006 0.000 0.628 143 A CB -0.487 18.517 19.000 0.007 0.000 0.816 143 A HN 0.357 nan 8.150 nan 0.000 0.444 144 I N -0.160 120.414 120.570 0.007 0.000 2.163 144 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 144 I C 2.960 179.083 176.117 0.009 0.000 1.085 144 I CA 1.098 62.403 61.300 0.009 0.000 1.347 144 I CB -0.241 37.764 38.000 0.008 0.000 1.044 144 I HN 0.367 nan 8.210 nan 0.000 0.408 145 A N -0.142 122.682 122.820 0.007 0.000 1.940 145 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 145 A C 2.199 179.786 177.584 0.005 0.000 1.176 145 A CA 1.757 53.798 52.037 0.006 0.000 0.631 145 A CB -0.579 18.423 19.000 0.004 0.000 0.814 145 A HN 0.479 nan 8.150 nan 0.000 0.446 146 Q N -0.569 119.234 119.800 0.004 0.000 2.016 146 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 146 Q C 2.330 178.333 176.000 0.005 0.000 0.978 146 Q CA 2.166 57.970 55.803 0.003 0.000 0.833 146 Q CB -0.521 28.219 28.738 0.002 0.000 0.895 146 Q HN 0.749 nan 8.270 nan 0.000 0.427 147 V N -1.624 118.296 119.914 0.009 0.000 2.287 147 V HA -0.151 3.968 4.120 -0.000 0.000 0.248 147 V C 2.041 178.143 176.094 0.014 0.000 1.053 147 V CA 2.192 64.500 62.300 0.012 0.000 1.027 147 V CB -1.761 30.072 31.823 0.016 0.000 0.646 147 V HN 0.408 nan 8.190 nan 0.000 0.447 148 G N -0.032 108.778 108.800 0.016 0.000 2.606 148 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.221 148 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.221 148 G C 1.597 176.503 174.900 0.010 0.000 1.152 148 G CA 2.137 47.246 45.100 0.016 0.000 0.765 148 G HN 0.537 nan 8.290 nan 0.000 0.595 149 T N 0.831 115.388 114.554 0.005 0.000 2.708 149 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 149 T C 2.414 177.113 174.700 -0.002 0.000 1.037 149 T CA 1.170 63.270 62.100 0.000 0.000 1.146 149 T CB -0.142 68.724 68.868 -0.003 0.000 0.865 149 T HN 0.171 nan 8.240 nan 0.000 0.435 150 I N 0.858 121.427 120.570 -0.001 0.000 2.439 150 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 150 I C 2.609 178.726 176.117 -0.000 0.000 1.139 150 I CA 0.786 62.084 61.300 -0.004 0.000 1.438 150 I CB -0.386 37.612 38.000 -0.003 0.000 1.085 150 I HN 0.165 nan 8.210 nan 0.000 0.427 151 S N 0.536 116.239 115.700 0.005 0.000 2.368 151 S HA -0.047 4.423 4.470 -0.000 0.000 0.225 151 S C 1.819 176.420 174.600 0.001 0.000 1.030 151 S CA 1.049 59.253 58.200 0.007 0.000 0.999 151 S CB -0.256 62.953 63.200 0.015 0.000 0.844 151 S HN 0.386 nan 8.310 nan 0.000 0.459 152 A N 1.339 124.159 122.820 0.001 0.000 2.840 152 A HA 0.361 4.681 4.320 -0.000 0.000 0.269 152 A C 0.516 178.097 177.584 -0.005 0.000 1.439 152 A CA -0.103 51.933 52.037 -0.002 0.000 1.083 152 A CB -1.514 17.486 19.000 0.000 0.000 1.019 152 A HN 0.774 nan 8.150 nan 0.000 0.607 153 N N 0.439 119.135 118.700 -0.006 0.000 2.688 153 N HA -0.220 4.520 4.740 -0.000 0.000 0.258 153 N C -0.075 175.429 175.510 -0.011 0.000 1.016 153 N CA 0.484 53.529 53.050 -0.008 0.000 0.747 153 N CB -0.749 37.733 38.487 -0.008 0.000 0.895 153 N HN 0.490 nan 8.380 nan 0.000 0.543 154 S N -0.349 115.344 115.700 -0.012 0.000 3.812 154 S HA -0.198 4.272 4.470 -0.000 0.000 0.341 154 S C -0.660 173.932 174.600 -0.012 0.000 1.057 154 S CA 0.972 59.163 58.200 -0.015 0.000 1.015 154 S CB -0.659 62.528 63.200 -0.021 0.000 0.893 154 S HN 0.705 nan 8.310 nan 0.000 0.476 155 D N 0.822 121.217 120.400 -0.009 0.000 2.472 155 D HA 0.303 4.943 4.640 -0.000 0.000 0.234 155 D C 1.066 177.363 176.300 -0.005 0.000 1.088 155 D CA -0.522 53.474 54.000 -0.007 0.000 0.882 155 D CB 0.630 41.427 40.800 -0.005 0.000 1.037 155 D HN 0.362 nan 8.370 nan 0.000 0.520 156 E N 1.080 121.277 120.200 -0.006 0.000 2.171 156 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 156 E C 1.204 177.803 176.600 -0.002 0.000 0.997 156 E CA 1.367 57.765 56.400 -0.004 0.000 0.810 156 E CB 0.335 30.032 29.700 -0.006 0.000 0.738 156 E HN 0.512 nan 8.360 nan 0.000 0.467 157 T N 0.588 115.142 114.554 -0.001 0.000 2.821 157 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 157 T C 2.142 176.844 174.700 0.002 0.000 1.046 157 T CA 1.114 63.214 62.100 0.000 0.000 1.139 157 T CB -0.165 68.703 68.868 -0.000 0.000 0.871 157 T HN 0.010 nan 8.240 nan 0.000 0.454 158 V N 1.555 121.470 119.914 0.003 0.000 2.453 158 V HA -0.007 4.113 4.120 -0.000 0.000 0.247 158 V C 2.860 178.958 176.094 0.008 0.000 1.048 158 V CA 1.655 63.959 62.300 0.006 0.000 1.049 158 V CB -1.575 30.251 31.823 0.006 0.000 0.672 158 V HN 0.551 nan 8.190 nan 0.000 0.457 159 G N 0.647 109.451 108.800 0.006 0.000 2.552 159 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.216 159 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.216 159 G C 1.526 176.430 174.900 0.007 0.000 1.240 159 G CA 1.340 46.444 45.100 0.006 0.000 0.796 159 G HN 0.477 nan 8.290 nan 0.000 0.568 160 K N -0.175 120.227 120.400 0.004 0.000 2.097 160 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 160 K C 2.294 178.897 176.600 0.005 0.000 1.052 160 K CA 1.504 57.793 56.287 0.004 0.000 0.932 160 K CB -0.698 31.803 32.500 0.002 0.000 0.716 160 K HN 0.257 nan 8.250 nan 0.000 0.455 161 L N 0.281 121.508 121.223 0.006 0.000 2.109 161 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 161 L C 2.106 178.982 176.870 0.010 0.000 1.086 161 L CA 1.467 56.311 54.840 0.007 0.000 0.760 161 L CB -0.431 41.632 42.059 0.008 0.000 0.910 161 L HN 0.307 nan 8.230 nan 0.000 0.437 162 I N -0.938 119.639 120.570 0.012 0.000 2.233 162 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 162 I C 2.552 178.676 176.117 0.012 0.000 1.093 162 I CA 1.048 62.356 61.300 0.015 0.000 1.380 162 I CB -0.486 37.526 38.000 0.020 0.000 1.067 162 I HN 0.240 nan 8.210 nan 0.000 0.413 163 A N 0.328 123.154 122.820 0.010 0.000 1.873 163 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 163 A C 2.246 179.833 177.584 0.006 0.000 1.193 163 A CA 2.117 54.159 52.037 0.008 0.000 0.629 163 A CB -0.785 18.219 19.000 0.006 0.000 0.826 163 A HN 0.453 nan 8.150 nan 0.000 0.447 164 E N -0.616 119.588 120.200 0.006 0.000 2.085 164 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 164 E C 2.360 178.963 176.600 0.005 0.000 0.994 164 E CA 0.972 57.375 56.400 0.005 0.000 0.801 164 E CB -0.292 29.411 29.700 0.005 0.000 0.743 164 E HN 0.641 nan 8.360 nan 0.000 0.453 165 A N 1.417 124.241 122.820 0.007 0.000 1.828 165 A HA -0.228 4.091 4.320 -0.000 0.000 0.215 165 A C 2.203 179.791 177.584 0.006 0.000 1.203 165 A CA 1.873 53.914 52.037 0.007 0.000 0.614 165 A CB -0.696 18.310 19.000 0.010 0.000 0.844 165 A HN 0.166 nan 8.150 nan 0.000 0.445 166 M N -0.709 118.895 119.600 0.006 0.000 2.260 166 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 166 M C 1.714 178.015 176.300 0.002 0.000 1.066 166 M CA 2.047 57.349 55.300 0.003 0.000 1.082 166 M CB -0.843 31.759 32.600 0.004 0.000 1.388 166 M HN 0.565 nan 8.290 nan 0.000 0.419 167 D N 0.663 121.065 120.400 0.003 0.000 2.144 167 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 167 D C 1.896 178.197 176.300 0.002 0.000 0.984 167 D CA 1.292 55.293 54.000 0.002 0.000 0.834 167 D CB 0.225 41.027 40.800 0.003 0.000 0.955 167 D HN 0.272 nan 8.370 nan 0.000 0.465 168 K N -0.759 119.642 120.400 0.002 0.000 2.242 168 K HA 0.034 4.354 4.320 -0.000 0.000 0.200 168 K C 1.955 178.556 176.600 0.002 0.000 1.050 168 K CA 0.704 56.993 56.287 0.002 0.000 0.981 168 K CB 0.579 33.080 32.500 0.003 0.000 0.795 168 K HN 0.136 nan 8.250 nan 0.000 0.477 169 V N -2.478 117.437 119.914 0.002 0.000 2.878 169 V HA 0.297 4.417 4.120 -0.000 0.000 0.250 169 V C 0.965 177.058 176.094 -0.001 0.000 1.075 169 V CA 0.536 62.837 62.300 0.001 0.000 1.096 169 V CB -0.699 31.125 31.823 0.002 0.000 0.724 169 V HN 0.352 nan 8.190 nan 0.000 0.467 170 G N 0.436 109.235 108.800 -0.001 0.000 2.582 170 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.222 170 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.222 170 G C 0.099 174.996 174.900 -0.004 0.000 1.311 170 G CA 0.170 45.269 45.100 -0.002 0.000 0.915 170 G HN 0.296 nan 8.290 nan 0.000 0.528 171 K N -0.084 120.313 120.400 -0.006 0.000 2.211 171 K HA 0.117 4.437 4.320 -0.000 0.000 0.201 171 K C 1.760 178.354 176.600 -0.011 0.000 1.052 171 K CA 0.984 57.266 56.287 -0.008 0.000 0.973 171 K CB 0.045 32.541 32.500 -0.007 0.000 0.766 171 K HN 0.355 nan 8.250 nan 0.000 0.466 172 E N 0.699 120.893 120.200 -0.010 0.000 2.512 172 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 172 E C 0.428 177.020 176.600 -0.013 0.000 1.083 172 E CA 0.187 56.579 56.400 -0.013 0.000 0.873 172 E CB 0.209 29.902 29.700 -0.012 0.000 0.897 172 E HN 0.243 nan 8.360 nan 0.000 0.514 173 G N 0.097 108.891 108.800 -0.011 0.000 2.417 173 G HA2 0.452 4.412 3.960 -0.000 0.000 0.334 173 G HA3 0.452 4.412 3.960 -0.000 0.000 0.334 173 G C -0.355 174.539 174.900 -0.010 0.000 1.150 173 G CA -0.475 44.620 45.100 -0.008 0.000 0.923 173 G HN -0.059 nan 8.290 nan 0.000 0.485 174 V N 1.093 121.002 119.914 -0.007 0.000 2.612 174 V HA 0.558 4.678 4.120 -0.000 0.000 0.301 174 V C -0.116 175.979 176.094 0.001 0.000 1.046 174 V CA -0.515 61.782 62.300 -0.006 0.000 0.946 174 V CB 1.442 33.262 31.823 -0.005 0.000 1.003 174 V HN 0.578 nan 8.190 nan 0.000 0.459 175 I N 3.077 123.649 120.570 0.004 0.000 2.500 175 I HA 0.434 4.604 4.170 -0.000 0.000 0.286 175 I C 0.021 176.151 176.117 0.022 0.000 1.063 175 I CA -0.209 61.099 61.300 0.013 0.000 1.062 175 I CB 2.330 40.338 38.000 0.014 0.000 1.223 175 I HN 0.751 nan 8.210 nan 0.000 0.435 176 T N 2.742 117.311 114.554 0.024 0.000 2.925 176 T HA 0.680 5.030 4.350 -0.000 0.000 0.285 176 T C -0.486 174.233 174.700 0.032 0.000 1.021 176 T CA -0.880 61.240 62.100 0.033 0.000 1.042 176 T CB 2.458 71.344 68.868 0.030 0.000 1.037 176 T HN 0.308 nan 8.240 nan 0.000 0.481 177 V N 1.932 121.869 119.914 0.038 0.000 2.495 177 V HA 0.784 4.904 4.120 -0.000 0.000 0.298 177 V C -1.280 174.830 176.094 0.026 0.000 1.031 177 V CA -0.483 61.836 62.300 0.031 0.000 0.871 177 V CB 1.051 32.894 31.823 0.035 0.000 0.988 177 V HN 1.181 nan 8.190 nan 0.000 0.432 178 E N 3.439 123.650 120.200 0.019 0.000 2.454 178 E HA 0.498 4.848 4.350 -0.000 0.000 0.279 178 E C -1.802 174.805 176.600 0.012 0.000 1.029 178 E CA -1.025 55.385 56.400 0.016 0.000 0.831 178 E CB 0.692 30.402 29.700 0.017 0.000 1.405 178 E HN 0.498 nan 8.360 nan 0.000 0.463 179 D N 0.771 121.177 120.400 0.010 0.000 2.458 179 D HA 0.269 4.908 4.640 -0.000 0.000 0.243 179 D C 0.314 176.618 176.300 0.006 0.000 1.146 179 D CA 0.513 54.518 54.000 0.008 0.000 0.877 179 D CB 0.856 41.660 40.800 0.008 0.000 1.176 179 D HN 0.557 nan 8.370 nan 0.000 0.461 180 G N 0.314 109.117 108.800 0.005 0.000 2.547 180 G HA2 0.358 4.318 3.960 -0.000 0.000 0.291 180 G HA3 0.358 4.318 3.960 -0.000 0.000 0.291 180 G C 1.024 175.926 174.900 0.003 0.000 1.211 180 G CA -0.097 45.005 45.100 0.004 0.000 0.950 180 G HN 0.444 nan 8.290 nan 0.000 0.504 181 T N -2.135 112.420 114.554 0.002 0.000 3.044 181 T HA 0.280 4.629 4.350 -0.000 0.000 0.237 181 T C 1.601 176.302 174.700 0.001 0.000 1.001 181 T CA 0.852 62.953 62.100 0.001 0.000 1.160 181 T CB -0.514 68.355 68.868 0.001 0.000 0.889 181 T HN 0.765 nan 8.240 nan 0.000 0.442 182 G N 1.065 109.865 108.800 0.001 0.000 2.529 182 G HA2 0.421 4.381 3.960 -0.000 0.000 0.277 182 G HA3 0.421 4.381 3.960 -0.000 0.000 0.277 182 G C 0.668 175.568 174.900 0.001 0.000 1.383 182 G CA -0.480 44.621 45.100 0.001 0.000 1.050 182 G HN 0.338 nan 8.290 nan 0.000 0.526 183 L N -0.762 120.461 121.223 0.000 0.000 2.375 183 L HA 0.100 4.440 4.340 -0.000 0.000 0.215 183 L C 0.625 177.495 176.870 0.000 0.000 1.108 183 L CA 0.734 55.574 54.840 0.000 0.000 0.830 183 L CB -0.372 41.687 42.059 -0.000 0.000 0.959 183 L HN 0.512 nan 8.230 nan 0.000 0.457 184 Q N -0.356 119.444 119.800 0.001 0.000 2.266 184 Q HA 0.343 4.683 4.340 -0.000 0.000 0.261 184 Q C -0.919 175.082 176.000 0.002 0.000 0.985 184 Q CA -0.733 55.071 55.803 0.001 0.000 0.873 184 Q CB 0.440 29.178 28.738 0.000 0.000 1.306 184 Q HN -0.002 nan 8.270 nan 0.000 0.447 185 D N 0.799 121.200 120.400 0.002 0.000 2.399 185 D HA 0.236 4.876 4.640 -0.000 0.000 0.241 185 D C -0.490 175.812 176.300 0.003 0.000 1.133 185 D CA -0.096 53.906 54.000 0.003 0.000 0.890 185 D CB 0.672 41.475 40.800 0.004 0.000 1.201 185 D HN 0.559 nan 8.370 nan 0.000 0.432 186 E N 1.236 121.438 120.200 0.004 0.000 2.304 186 E HA 0.349 4.699 4.350 -0.000 0.000 0.277 186 E C -1.990 174.613 176.600 0.005 0.000 0.898 186 E CA -0.936 55.466 56.400 0.004 0.000 0.764 186 E CB 1.470 31.172 29.700 0.003 0.000 1.216 186 E HN 0.327 nan 8.360 nan 0.000 0.419 187 L N 4.254 125.480 121.223 0.005 0.000 2.287 187 L HA 0.508 4.848 4.340 -0.000 0.000 0.287 187 L C -1.261 175.612 176.870 0.004 0.000 1.022 187 L CA -0.123 54.720 54.840 0.005 0.000 0.814 187 L CB 1.308 43.370 42.059 0.006 0.000 1.217 187 L HN 0.447 nan 8.230 nan 0.000 0.420 188 D N 4.290 124.693 120.400 0.005 0.000 2.278 188 D HA 0.483 5.123 4.640 -0.000 0.000 0.245 188 D C -1.040 175.263 176.300 0.004 0.000 1.052 188 D CA -0.072 53.930 54.000 0.003 0.000 0.834 188 D CB 2.588 43.390 40.800 0.002 0.000 1.194 188 D HN 0.295 nan 8.370 nan 0.000 0.481 189 V N 2.376 122.292 119.914 0.004 0.000 2.588 189 V HA 0.308 4.428 4.120 -0.000 0.000 0.304 189 V C -0.082 176.014 176.094 0.004 0.000 1.042 189 V CA -0.803 61.499 62.300 0.005 0.000 0.877 189 V CB 2.189 34.014 31.823 0.004 0.000 0.996 189 V HN 0.272 nan 8.190 nan 0.000 0.425 190 V N 4.080 123.998 119.914 0.006 0.000 2.370 190 V HA 0.461 4.581 4.120 -0.000 0.000 0.283 190 V C 0.053 176.153 176.094 0.009 0.000 1.023 190 V CA -0.783 61.521 62.300 0.006 0.000 0.857 190 V CB 1.531 33.359 31.823 0.008 0.000 0.985 190 V HN 0.782 nan 8.190 nan 0.000 0.443 191 E N 2.887 123.092 120.200 0.008 0.000 2.301 191 E HA 0.532 4.882 4.350 -0.000 0.000 0.275 191 E C 0.868 177.477 176.600 0.015 0.000 1.030 191 E CA 0.896 57.301 56.400 0.009 0.000 0.852 191 E CB 1.632 31.335 29.700 0.006 0.000 1.060 191 E HN 0.983 nan 8.360 nan 0.000 0.401 192 G N 2.820 111.629 108.800 0.015 0.000 2.527 192 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.268 192 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.268 192 G C -0.100 174.819 174.900 0.032 0.000 1.175 192 G CA 0.397 45.509 45.100 0.020 0.000 0.962 192 G HN 0.569 nan 8.290 nan 0.000 0.560 193 M N 0.772 120.401 119.600 0.049 0.000 2.294 193 M HA 0.760 5.240 4.480 -0.000 0.000 0.335 193 M C -0.538 175.845 176.300 0.138 0.000 1.079 193 M CA -0.519 54.829 55.300 0.080 0.000 0.982 193 M CB 1.735 34.377 32.600 0.069 0.000 1.651 193 M HN 0.905 nan 8.290 nan 0.000 0.437 194 Q N 4.223 124.125 119.800 0.170 0.000 2.418 194 Q HA 0.679 5.019 4.340 -0.000 0.000 0.282 194 Q C -2.136 174.046 176.000 0.304 0.000 1.044 194 Q CA -0.763 55.154 55.803 0.190 0.000 0.813 194 Q CB 2.341 31.107 28.738 0.046 0.000 1.428 194 Q HN 0.798 nan 8.270 nan 0.000 0.402 195 F N -1.001 118.942 119.950 -0.012 0.000 2.685 195 F HA 0.489 5.016 4.527 -0.000 0.000 0.315 195 F C -1.017 174.774 175.800 -0.014 0.000 1.126 195 F CA -1.382 56.612 58.000 -0.010 0.000 0.950 195 F CB 0.738 39.734 39.000 -0.006 0.000 1.360 195 F HN 0.399 nan 8.300 nan 0.000 0.469 196 D N 1.468 121.929 120.400 0.102 0.000 2.934 196 D HA 0.266 4.906 4.640 -0.000 0.000 0.237 196 D C -0.518 175.759 176.300 -0.039 0.000 1.158 196 D CA 0.025 54.021 54.000 -0.007 0.000 0.971 196 D CB -0.133 40.694 40.800 0.046 0.000 1.123 196 D HN 0.222 nan 8.370 nan 0.000 0.467 197 R N 0.465 120.850 120.500 -0.192 0.000 2.604 197 R HA 0.708 5.048 4.340 -0.000 0.000 0.281 197 R C 0.136 176.275 176.300 -0.268 0.000 1.020 197 R CA -0.820 55.187 56.100 -0.154 0.000 0.899 197 R CB 1.899 32.202 30.300 0.005 0.000 1.205 197 R HN 0.242 nan 8.270 nan 0.000 0.450 198 G N 0.766 109.429 108.800 -0.229 0.000 2.735 198 G HA2 0.503 4.463 3.960 -0.000 0.000 0.301 198 G HA3 0.503 4.463 3.960 -0.000 0.000 0.301 198 G C -0.735 174.034 174.900 -0.218 0.000 1.279 198 G CA -0.661 44.230 45.100 -0.348 0.000 1.019 198 G HN 0.423 nan 8.290 nan 0.000 0.497 199 Y N -1.206 119.104 120.300 0.017 0.000 2.757 199 Y HA 0.264 4.814 4.550 -0.000 0.000 0.344 199 Y C 1.041 177.045 175.900 0.174 0.000 1.263 199 Y CA -0.740 57.427 58.100 0.112 0.000 1.493 199 Y CB 0.279 38.889 38.460 0.250 0.000 1.342 199 Y HN 0.182 nan 8.280 nan 0.000 0.627 200 L N 1.656 123.209 121.223 0.550 0.000 2.607 200 L HA 0.209 4.549 4.340 -0.000 0.000 0.228 200 L C 0.223 177.310 176.870 0.361 0.000 1.123 200 L CA 0.553 55.629 54.840 0.394 0.000 0.890 200 L CB -0.151 42.095 42.059 0.311 0.000 1.103 200 L HN 0.801 nan 8.230 nan 0.000 0.468 201 S N -2.234 113.704 115.700 0.395 0.000 2.626 201 S HA 0.352 4.822 4.470 -0.000 0.000 0.275 201 S C -2.564 171.896 174.600 -0.233 0.000 1.175 201 S CA -0.951 57.271 58.200 0.037 0.000 0.982 201 S CB 1.743 64.872 63.200 -0.119 0.000 1.093 201 S HN -0.239 nan 8.310 nan 0.000 0.472 202 P HA -0.026 nan 4.420 nan 0.000 0.231 202 P C 0.121 176.995 177.300 -0.710 0.000 1.154 202 P CA 0.865 63.498 63.100 -0.778 0.000 0.762 202 P CB -0.355 31.027 31.700 -0.530 0.000 0.790 203 Y N -2.734 117.304 120.300 -0.436 0.000 2.347 203 Y HA 0.023 4.573 4.550 -0.000 0.000 0.294 203 Y C 1.999 177.731 175.900 -0.280 0.000 1.117 203 Y CA 0.502 58.390 58.100 -0.354 0.000 1.184 203 Y CB -1.115 37.121 38.460 -0.373 0.000 1.047 203 Y HN -0.141 nan 8.280 nan 0.000 0.546 204 F N 0.644 120.584 119.950 -0.017 0.000 2.141 204 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 204 F C 1.024 176.798 175.800 -0.044 0.000 1.079 204 F CA 0.444 58.434 58.000 -0.017 0.000 1.264 204 F CB -1.406 37.591 39.000 -0.005 0.000 1.011 204 F HN -0.128 nan 8.300 nan 0.000 0.487 205 I N 2.459 123.053 120.570 0.039 0.000 2.978 205 I HA -0.227 3.943 4.170 -0.000 0.000 0.293 205 I C 1.074 177.211 176.117 0.033 0.000 1.218 205 I CA 0.582 61.882 61.300 0.000 0.000 1.393 205 I CB -0.154 37.778 38.000 -0.114 0.000 1.394 205 I HN 0.249 nan 8.210 nan 0.000 0.541 206 N N 5.312 124.045 118.700 0.054 0.000 2.280 206 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 206 N C 0.030 175.558 175.510 0.030 0.000 1.109 206 N CA 0.125 53.202 53.050 0.044 0.000 0.855 206 N CB 0.388 38.905 38.487 0.051 0.000 0.974 206 N HN 0.482 nan 8.380 nan 0.000 0.482 207 K N 0.649 121.066 120.400 0.028 0.000 2.701 207 K HA 0.252 4.572 4.320 -0.000 0.000 0.212 207 K C -2.168 174.442 176.600 0.017 0.000 1.035 207 K CA -1.806 54.494 56.287 0.022 0.000 1.048 207 K CB 2.097 34.611 32.500 0.024 0.000 1.234 207 K HN -0.028 nan 8.250 nan 0.000 0.540 208 P HA -0.159 nan 4.420 nan 0.000 0.228 208 P C 0.060 177.364 177.300 0.006 0.000 1.151 208 P CA 1.052 64.152 63.100 -0.000 0.000 0.770 208 P CB 0.470 32.166 31.700 -0.008 0.000 0.786 209 E N -0.289 119.917 120.200 0.010 0.000 2.107 209 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 209 E C 1.842 178.451 176.600 0.015 0.000 0.982 209 E CA 1.479 57.885 56.400 0.010 0.000 0.809 209 E CB -1.319 28.387 29.700 0.009 0.000 0.756 209 E HN 0.221 nan 8.360 nan 0.000 0.459 210 T N -0.904 113.663 114.554 0.021 0.000 3.054 210 T HA 0.159 4.509 4.350 -0.000 0.000 0.259 210 T C 1.443 176.169 174.700 0.042 0.000 1.092 210 T CA 0.643 62.759 62.100 0.027 0.000 1.121 210 T CB -0.006 68.879 68.868 0.028 0.000 0.912 210 T HN 0.415 nan 8.240 nan 0.000 0.489 211 G N 1.473 110.302 108.800 0.047 0.000 2.160 211 G HA2 0.003 3.963 3.960 -0.000 0.000 0.251 211 G HA3 0.003 3.963 3.960 -0.000 0.000 0.251 211 G C 0.071 175.066 174.900 0.159 0.000 1.008 211 G CA 0.092 45.237 45.100 0.076 0.000 0.724 211 G HN 0.959 nan 8.290 nan 0.000 0.514 212 A N -1.363 121.533 122.820 0.127 0.000 2.515 212 A HA 0.905 5.225 4.320 -0.000 0.000 0.296 212 A C -0.309 177.348 177.584 0.122 0.000 1.094 212 A CA -0.171 51.967 52.037 0.169 0.000 0.718 212 A CB 2.017 21.074 19.000 0.095 0.000 1.307 212 A HN 1.278 nan 8.150 nan 0.000 0.408 213 V N 0.928 120.929 119.914 0.145 0.000 2.427 213 V HA 0.535 4.655 4.120 -0.000 0.000 0.286 213 V C 0.066 176.195 176.094 0.058 0.000 1.034 213 V CA -0.402 61.960 62.300 0.103 0.000 0.893 213 V CB 1.291 33.193 31.823 0.131 0.000 0.982 213 V HN 0.903 nan 8.190 nan 0.000 0.452 214 E N 4.315 124.540 120.200 0.043 0.000 2.218 214 E HA 0.668 5.018 4.350 -0.000 0.000 0.263 214 E C -1.752 174.858 176.600 0.018 0.000 0.879 214 E CA -0.569 55.845 56.400 0.024 0.000 0.762 214 E CB 1.596 31.308 29.700 0.020 0.000 1.166 214 E HN 0.643 nan 8.360 nan 0.000 0.415 215 L N 3.203 124.430 121.223 0.007 0.000 2.381 215 L HA 0.534 4.874 4.340 -0.000 0.000 0.268 215 L C -0.599 176.263 176.870 -0.013 0.000 0.997 215 L CA -0.848 53.992 54.840 0.001 0.000 0.818 215 L CB 2.175 44.234 42.059 -0.000 0.000 1.310 215 L HN 0.478 nan 8.230 nan 0.000 0.416 216 E N 1.112 121.299 120.200 -0.021 0.000 2.199 216 E HA 0.383 4.733 4.350 -0.000 0.000 0.265 216 E C -0.501 176.060 176.600 -0.064 0.000 0.882 216 E CA -0.650 55.729 56.400 -0.035 0.000 0.759 216 E CB 1.780 31.465 29.700 -0.024 0.000 1.148 216 E HN 0.616 nan 8.360 nan 0.000 0.412 217 S N 1.244 116.893 115.700 -0.084 0.000 3.614 217 S HA -0.126 4.344 4.470 -0.000 0.000 0.360 217 S C -2.268 172.190 174.600 -0.237 0.000 1.023 217 S CA 0.397 58.511 58.200 -0.143 0.000 1.114 217 S CB -1.548 61.570 63.200 -0.137 0.000 0.907 217 S HN 0.472 nan 8.310 nan 0.000 0.470 218 P HA 0.622 nan 4.420 nan 0.000 0.282 218 P C 0.076 177.238 177.300 -0.230 0.000 1.259 218 P CA -0.722 62.270 63.100 -0.179 0.000 0.826 218 P CB 0.480 32.150 31.700 -0.050 0.000 1.064 219 F N 0.401 120.355 119.950 0.007 0.000 2.378 219 F HA 0.410 4.937 4.527 -0.000 0.000 0.319 219 F C 0.892 176.695 175.800 0.005 0.000 1.155 219 F CA 0.013 58.016 58.000 0.006 0.000 1.157 219 F CB 0.313 39.316 39.000 0.006 0.000 1.252 219 F HN 0.046 nan 8.300 nan 0.000 0.550 220 I N 2.706 123.415 120.570 0.232 0.000 2.468 220 I HA 0.257 4.427 4.170 -0.000 0.000 0.285 220 I C -1.323 174.849 176.117 0.092 0.000 1.039 220 I CA -0.690 60.684 61.300 0.123 0.000 1.074 220 I CB 1.819 39.869 38.000 0.083 0.000 1.228 220 I HN 0.273 nan 8.210 nan 0.000 0.436 221 L N 7.878 129.140 121.223 0.065 0.000 2.275 221 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 221 L C -1.015 175.872 176.870 0.028 0.000 1.046 221 L CA 0.070 54.933 54.840 0.037 0.000 0.805 221 L CB 0.816 42.891 42.059 0.027 0.000 1.193 221 L HN 0.494 nan 8.230 nan 0.000 0.426 222 L N 6.748 127.981 121.223 0.017 0.000 2.371 222 L HA 0.544 4.884 4.340 -0.000 0.000 0.262 222 L C 0.061 176.933 176.870 0.005 0.000 1.054 222 L CA -0.508 54.336 54.840 0.007 0.000 0.924 222 L CB 0.926 42.983 42.059 -0.003 0.000 1.295 222 L HN 0.811 nan 8.230 nan 0.000 0.441 223 A N 1.265 124.091 122.820 0.011 0.000 2.391 223 A HA 0.225 4.545 4.320 -0.000 0.000 0.316 223 A C -0.108 177.483 177.584 0.012 0.000 1.381 223 A CA -0.395 51.649 52.037 0.012 0.000 0.998 223 A CB 0.072 19.084 19.000 0.019 0.000 1.147 223 A HN 0.625 nan 8.150 nan 0.000 0.545 224 D N 2.922 123.325 120.400 0.006 0.000 2.508 224 D HA 0.409 5.049 4.640 -0.000 0.000 0.224 224 D C -0.037 176.270 176.300 0.012 0.000 1.171 224 D CA 0.405 54.408 54.000 0.006 0.000 1.006 224 D CB -0.499 40.299 40.800 -0.003 0.000 1.073 224 D HN 0.668 nan 8.370 nan 0.000 0.513 225 K N 0.055 120.467 120.400 0.020 0.000 3.245 225 K HA 0.121 4.441 4.320 -0.000 0.000 0.350 225 K C -1.216 175.402 176.600 0.030 0.000 1.129 225 K CA -1.137 55.164 56.287 0.023 0.000 0.883 225 K CB 0.270 32.781 32.500 0.018 0.000 1.411 225 K HN -0.124 nan 8.250 nan 0.000 0.412 226 K N 0.887 121.305 120.400 0.031 0.000 2.258 226 K HA 0.331 4.651 4.320 -0.000 0.000 0.264 226 K C -0.322 176.298 176.600 0.034 0.000 1.007 226 K CA -0.223 56.086 56.287 0.036 0.000 0.941 226 K CB 0.423 32.944 32.500 0.035 0.000 0.966 226 K HN 0.404 nan 8.250 nan 0.000 0.480 227 I N 2.174 122.768 120.570 0.040 0.000 2.464 227 I HA 0.039 4.209 4.170 -0.000 0.000 0.277 227 I C 0.280 176.421 176.117 0.041 0.000 1.040 227 I CA -0.044 61.280 61.300 0.039 0.000 1.153 227 I CB 1.635 39.662 38.000 0.045 0.000 1.274 227 I HN 0.626 nan 8.210 nan 0.000 0.469 228 S N 3.082 118.802 115.700 0.033 0.000 2.506 228 S HA 0.169 4.639 4.470 -0.000 0.000 0.230 228 S C 0.814 175.430 174.600 0.027 0.000 1.066 228 S CA 0.112 58.330 58.200 0.030 0.000 0.940 228 S CB 0.181 63.396 63.200 0.025 0.000 0.818 228 S HN 0.552 nan 8.310 nan 0.000 0.518 229 N N 2.550 121.264 118.700 0.023 0.000 2.437 229 N HA 0.257 4.997 4.740 -0.000 0.000 0.243 229 N C 0.638 176.159 175.510 0.020 0.000 1.041 229 N CA -0.054 53.008 53.050 0.019 0.000 0.940 229 N CB 0.991 39.486 38.487 0.014 0.000 1.133 229 N HN 0.210 nan 8.380 nan 0.000 0.506 230 I N 3.337 123.919 120.570 0.020 0.000 2.300 230 I HA -0.346 3.824 4.170 -0.000 0.000 0.252 230 I C 1.715 177.841 176.117 0.016 0.000 1.119 230 I CA 1.426 62.739 61.300 0.021 0.000 1.384 230 I CB 0.227 38.239 38.000 0.020 0.000 1.062 230 I HN 0.463 nan 8.210 nan 0.000 0.426 231 R N 0.876 121.383 120.500 0.012 0.000 2.140 231 R HA -0.248 4.092 4.340 -0.000 0.000 0.250 231 R C 1.835 178.139 176.300 0.007 0.000 1.150 231 R CA 2.064 58.169 56.100 0.008 0.000 0.966 231 R CB -0.781 29.523 30.300 0.007 0.000 0.869 231 R HN 0.556 nan 8.270 nan 0.000 0.445 232 E N 0.107 120.313 120.200 0.009 0.000 2.338 232 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 232 E C 1.816 178.420 176.600 0.007 0.000 1.007 232 E CA 0.730 57.135 56.400 0.008 0.000 0.849 232 E CB 0.032 29.738 29.700 0.010 0.000 0.774 232 E HN 0.308 nan 8.360 nan 0.000 0.506 233 M N 0.015 119.622 119.600 0.010 0.000 2.325 233 M HA 0.032 4.512 4.480 -0.000 0.000 0.265 233 M C 2.261 178.564 176.300 0.004 0.000 1.094 233 M CA 0.756 56.062 55.300 0.011 0.000 1.161 233 M CB -0.771 31.841 32.600 0.021 0.000 1.358 233 M HN 0.121 nan 8.290 nan 0.000 0.446 234 L N 0.856 122.082 121.223 0.005 0.000 2.026 234 L HA -0.284 4.056 4.340 -0.000 0.000 0.231 234 L C -0.315 176.552 176.870 -0.005 0.000 1.095 234 L CA 2.178 57.019 54.840 0.002 0.000 0.810 234 L CB -2.689 39.371 42.059 0.002 0.000 0.909 234 L HN 0.166 nan 8.230 nan 0.000 0.444 235 P HA -0.174 nan 4.420 nan 0.000 0.216 235 P C 1.856 179.140 177.300 -0.027 0.000 1.157 235 P CA 1.778 64.868 63.100 -0.017 0.000 0.880 235 P CB -0.077 31.613 31.700 -0.017 0.000 0.791 236 V N 0.317 120.214 119.914 -0.029 0.000 2.283 236 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 236 V C 2.822 178.891 176.094 -0.041 0.000 1.039 236 V CA 1.367 63.640 62.300 -0.046 0.000 1.016 236 V CB -1.392 30.407 31.823 -0.040 0.000 0.650 236 V HN -0.012 nan 8.190 nan 0.000 0.449 237 L N -0.002 121.211 121.223 -0.016 0.000 2.270 237 L HA -0.252 4.088 4.340 -0.000 0.000 0.217 237 L C 2.496 179.364 176.870 -0.003 0.000 1.107 237 L CA 1.622 56.461 54.840 -0.001 0.000 0.772 237 L CB -0.497 41.571 42.059 0.014 0.000 0.902 237 L HN 0.521 nan 8.230 nan 0.000 0.439 238 E N -0.619 119.573 120.200 -0.014 0.000 2.166 238 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 238 E C 2.286 178.874 176.600 -0.021 0.000 0.967 238 E CA 0.737 57.131 56.400 -0.011 0.000 0.840 238 E CB -0.020 29.674 29.700 -0.010 0.000 0.795 238 E HN 0.449 nan 8.360 nan 0.000 0.470 239 A N 1.361 124.154 122.820 -0.045 0.000 2.015 239 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 239 A C 2.407 179.943 177.584 -0.079 0.000 1.163 239 A CA 0.901 52.898 52.037 -0.068 0.000 0.646 239 A CB -0.429 18.510 19.000 -0.102 0.000 0.806 239 A HN 0.095 nan 8.150 nan 0.000 0.448 240 V N -0.587 119.285 119.914 -0.070 0.000 2.667 240 V HA -0.104 4.016 4.120 -0.000 0.000 0.252 240 V C 2.679 178.802 176.094 0.048 0.000 1.065 240 V CA 1.461 63.749 62.300 -0.020 0.000 1.083 240 V CB -0.998 30.830 31.823 0.008 0.000 0.692 240 V HN 0.546 nan 8.190 nan 0.000 0.468 241 A N -0.831 122.005 122.820 0.027 0.000 2.235 241 A HA -0.003 4.317 4.320 -0.000 0.000 0.208 241 A C 2.183 179.786 177.584 0.032 0.000 1.172 241 A CA 0.865 52.922 52.037 0.034 0.000 0.786 241 A CB -0.237 18.777 19.000 0.023 0.000 0.804 241 A HN 0.507 nan 8.150 nan 0.000 0.479 242 K N -1.168 119.249 120.400 0.028 0.000 2.313 242 K HA 0.240 4.560 4.320 -0.000 0.000 0.197 242 K C 1.911 178.542 176.600 0.052 0.000 1.061 242 K CA 0.707 57.011 56.287 0.029 0.000 0.980 242 K CB 0.184 32.691 32.500 0.011 0.000 0.888 242 K HN 0.347 nan 8.250 nan 0.000 0.502 243 A N 0.618 123.487 122.820 0.083 0.000 2.169 243 A HA 0.132 4.452 4.320 -0.000 0.000 0.212 243 A C 1.418 179.088 177.584 0.143 0.000 1.153 243 A CA 1.026 53.153 52.037 0.151 0.000 0.756 243 A CB -0.447 18.733 19.000 0.300 0.000 0.813 243 A HN 0.395 nan 8.150 nan 0.000 0.471 244 G N -0.739 108.129 108.800 0.113 0.000 2.187 244 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.261 244 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.261 244 G C 0.205 175.155 174.900 0.084 0.000 1.000 244 G CA 1.012 46.161 45.100 0.082 0.000 0.718 244 G HN 0.608 nan 8.290 nan 0.000 0.519 245 K N 0.822 121.304 120.400 0.136 0.000 2.156 245 K HA 0.540 4.860 4.320 -0.000 0.000 0.254 245 K C -1.925 174.745 176.600 0.118 0.000 0.950 245 K CA -2.049 54.284 56.287 0.076 0.000 0.849 245 K CB 1.990 34.460 32.500 -0.051 0.000 1.100 245 K HN 0.027 nan 8.250 nan 0.000 0.434 246 P HA 0.075 nan 4.420 nan 0.000 0.274 246 P C -1.229 176.137 177.300 0.110 0.000 1.260 246 P CA -0.467 62.676 63.100 0.071 0.000 0.793 246 P CB 0.517 32.237 31.700 0.033 0.000 1.048 247 L N 0.364 121.643 121.223 0.094 0.000 2.464 247 L HA 0.511 4.850 4.340 -0.000 0.000 0.266 247 L C -1.742 175.155 176.870 0.046 0.000 0.965 247 L CA -1.074 53.833 54.840 0.111 0.000 0.833 247 L CB 1.625 43.760 42.059 0.127 0.000 1.296 247 L HN 0.131 nan 8.230 nan 0.000 0.405 248 L N 6.005 127.256 121.223 0.046 0.000 2.272 248 L HA 0.621 4.961 4.340 -0.000 0.000 0.289 248 L C -1.095 175.786 176.870 0.018 0.000 1.032 248 L CA -0.206 54.638 54.840 0.006 0.000 0.810 248 L CB 1.096 43.168 42.059 0.020 0.000 1.205 248 L HN 0.463 nan 8.230 nan 0.000 0.422 249 I N 7.316 127.878 120.570 -0.014 0.000 2.306 249 I HA 0.272 4.442 4.170 -0.000 0.000 0.288 249 I C -0.165 175.964 176.117 0.020 0.000 1.036 249 I CA -0.219 61.087 61.300 0.009 0.000 1.221 249 I CB 0.809 38.813 38.000 0.007 0.000 1.385 249 I HN 0.547 nan 8.210 nan 0.000 0.472 250 I N 5.968 126.563 120.570 0.042 0.000 2.347 250 I HA 0.452 4.622 4.170 -0.000 0.000 0.283 250 I C 0.583 176.726 176.117 0.043 0.000 1.058 250 I CA -0.103 61.233 61.300 0.061 0.000 1.202 250 I CB 0.974 39.019 38.000 0.075 0.000 1.386 250 I HN 0.614 nan 8.210 nan 0.000 0.475 251 A N 4.341 127.190 122.820 0.049 0.000 2.299 251 A HA 0.394 4.714 4.320 -0.000 0.000 0.332 251 A C 1.177 178.792 177.584 0.052 0.000 1.131 251 A CA -0.539 51.524 52.037 0.044 0.000 0.844 251 A CB 0.973 20.001 19.000 0.045 0.000 1.251 251 A HN 0.753 nan 8.150 nan 0.000 0.486 252 E N -0.536 119.691 120.200 0.045 0.000 2.171 252 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 252 E C -0.364 176.273 176.600 0.062 0.000 0.997 252 E CA 1.758 58.189 56.400 0.052 0.000 0.810 252 E CB 0.117 29.844 29.700 0.045 0.000 0.738 252 E HN 0.646 nan 8.360 nan 0.000 0.467 253 D N -2.192 118.244 120.400 0.060 0.000 2.720 253 D HA 0.129 4.769 4.640 -0.000 0.000 0.239 253 D C -1.921 174.420 176.300 0.068 0.000 1.218 253 D CA -0.516 53.524 54.000 0.066 0.000 0.748 253 D CB 1.980 42.817 40.800 0.060 0.000 1.387 253 D HN -0.129 nan 8.370 nan 0.000 0.438 254 V N 2.659 122.623 119.914 0.084 0.000 2.284 254 V HA 0.411 4.531 4.120 -0.000 0.000 0.274 254 V C 0.488 176.637 176.094 0.092 0.000 1.023 254 V CA -0.675 61.680 62.300 0.092 0.000 0.808 254 V CB 0.919 32.814 31.823 0.119 0.000 1.035 254 V HN 0.421 nan 8.190 nan 0.000 0.445 255 E N 2.438 122.681 120.200 0.070 0.000 2.620 255 E HA 0.373 4.723 4.350 -0.000 0.000 0.255 255 E C 1.567 178.201 176.600 0.057 0.000 1.346 255 E CA 0.137 56.573 56.400 0.060 0.000 1.013 255 E CB 0.591 30.318 29.700 0.046 0.000 1.131 255 E HN 0.600 nan 8.360 nan 0.000 0.608 256 G N 0.832 109.659 108.800 0.045 0.000 2.855 256 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.227 256 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.227 256 G C 1.283 176.202 174.900 0.032 0.000 1.245 256 G CA 1.308 46.430 45.100 0.036 0.000 0.781 256 G HN 0.558 nan 8.290 nan 0.000 0.666 257 E N 0.796 121.013 120.200 0.027 0.000 2.026 257 E HA -0.210 4.140 4.350 -0.000 0.000 0.206 257 E C 3.037 179.654 176.600 0.028 0.000 1.028 257 E CA 1.671 58.085 56.400 0.023 0.000 0.845 257 E CB -0.762 28.950 29.700 0.020 0.000 0.772 257 E HN 0.315 nan 8.360 nan 0.000 0.462 258 A N 1.231 124.074 122.820 0.038 0.000 1.865 258 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 258 A C 2.329 179.952 177.584 0.065 0.000 1.191 258 A CA 1.791 53.856 52.037 0.048 0.000 0.623 258 A CB -0.983 18.049 19.000 0.053 0.000 0.826 258 A HN 0.338 nan 8.150 nan 0.000 0.444 259 L N -0.110 121.162 121.223 0.081 0.000 1.951 259 L HA -0.239 4.101 4.340 -0.000 0.000 0.222 259 L C 2.790 179.694 176.870 0.058 0.000 1.078 259 L CA 2.773 57.679 54.840 0.109 0.000 0.778 259 L CB -1.119 41.008 42.059 0.113 0.000 0.893 259 L HN 0.429 nan 8.230 nan 0.000 0.436 260 A N -1.903 120.931 122.820 0.024 0.000 1.954 260 A HA -0.338 3.982 4.320 -0.000 0.000 0.222 260 A C 2.221 179.789 177.584 -0.027 0.000 1.199 260 A CA 2.956 54.982 52.037 -0.018 0.000 0.657 260 A CB -1.473 17.519 19.000 -0.014 0.000 0.823 260 A HN 0.656 nan 8.150 nan 0.000 0.463 261 T N 0.185 114.741 114.554 0.003 0.000 2.639 261 T HA -0.081 4.269 4.350 -0.000 0.000 0.261 261 T C 1.855 176.565 174.700 0.017 0.000 1.053 261 T CA 1.321 63.424 62.100 0.004 0.000 1.158 261 T CB -0.529 68.350 68.868 0.017 0.000 0.863 261 T HN 0.356 nan 8.240 nan 0.000 0.413 262 L N 0.954 122.213 121.223 0.060 0.000 2.010 262 L HA -0.229 4.111 4.340 -0.000 0.000 0.219 262 L C 2.695 179.615 176.870 0.084 0.000 1.077 262 L CA 1.389 56.298 54.840 0.115 0.000 0.773 262 L CB -1.011 41.178 42.059 0.217 0.000 0.892 262 L HN 0.158 nan 8.230 nan 0.000 0.436 263 V N -0.628 119.282 119.914 -0.007 0.000 2.220 263 V HA -0.355 3.765 4.120 -0.000 0.000 0.250 263 V C 2.389 178.401 176.094 -0.136 0.000 1.056 263 V CA 2.214 64.413 62.300 -0.169 0.000 1.016 263 V CB -0.770 30.901 31.823 -0.255 0.000 0.639 263 V HN 0.274 nan 8.190 nan 0.000 0.446 264 V N 0.654 120.498 119.914 -0.116 0.000 2.317 264 V HA -0.347 3.773 4.120 -0.000 0.000 0.251 264 V C 2.189 178.250 176.094 -0.055 0.000 1.065 264 V CA 2.555 64.795 62.300 -0.099 0.000 1.049 264 V CB -1.064 30.716 31.823 -0.072 0.000 0.651 264 V HN 0.622 nan 8.190 nan 0.000 0.450 265 N N 0.430 119.119 118.700 -0.019 0.000 2.109 265 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 265 N C 2.046 177.568 175.510 0.021 0.000 1.034 265 N CA 2.089 55.143 53.050 0.008 0.000 0.846 265 N CB -0.330 38.174 38.487 0.029 0.000 1.010 265 N HN 0.700 nan 8.380 nan 0.000 0.425 266 T N -0.016 114.566 114.554 0.046 0.000 2.788 266 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 266 T C 1.994 176.715 174.700 0.035 0.000 1.044 266 T CA 0.886 63.030 62.100 0.075 0.000 1.139 266 T CB -0.261 68.706 68.868 0.164 0.000 0.867 266 T HN 0.000 nan 8.240 nan 0.000 0.454 267 M N 1.487 121.079 119.600 -0.013 0.000 2.065 267 M HA 0.035 4.515 4.480 -0.000 0.000 0.259 267 M C 2.107 178.393 176.300 -0.024 0.000 1.069 267 M CA 1.595 56.869 55.300 -0.043 0.000 1.110 267 M CB -0.384 32.147 32.600 -0.116 0.000 1.328 267 M HN 0.046 nan 8.290 nan 0.000 0.405 268 R N -0.051 120.434 120.500 -0.024 0.000 2.391 268 R HA 0.163 4.503 4.340 -0.000 0.000 0.225 268 R C 0.782 177.082 176.300 -0.001 0.000 1.079 268 R CA 0.530 56.620 56.100 -0.016 0.000 1.147 268 R CB -0.968 29.321 30.300 -0.019 0.000 1.103 268 R HN 0.732 nan 8.270 nan 0.000 0.499 269 G N 1.097 109.902 108.800 0.009 0.000 2.258 269 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.274 269 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.274 269 G C 0.705 175.618 174.900 0.021 0.000 1.021 269 G CA 0.463 45.574 45.100 0.018 0.000 0.798 269 G HN 0.375 nan 8.290 nan 0.000 0.507 270 I N -1.137 119.446 120.570 0.022 0.000 2.086 270 I HA 0.031 4.201 4.170 -0.000 0.000 0.233 270 I C 1.172 177.309 176.117 0.033 0.000 1.060 270 I CA 1.417 62.731 61.300 0.023 0.000 1.326 270 I CB -0.199 37.812 38.000 0.019 0.000 1.067 270 I HN 0.088 nan 8.210 nan 0.000 0.398 271 V N 0.604 120.544 119.914 0.043 0.000 2.709 271 V HA 0.268 4.388 4.120 -0.000 0.000 0.308 271 V C -0.696 175.440 176.094 0.069 0.000 1.062 271 V CA -1.055 61.277 62.300 0.055 0.000 0.901 271 V CB 1.765 33.621 31.823 0.056 0.000 1.003 271 V HN 0.105 nan 8.190 nan 0.000 0.425 272 K N 2.862 123.304 120.400 0.070 0.000 2.349 272 K HA 0.601 4.921 4.320 -0.000 0.000 0.288 272 K C -0.793 175.858 176.600 0.086 0.000 1.058 272 K CA 0.148 56.484 56.287 0.081 0.000 0.953 272 K CB 0.957 33.496 32.500 0.066 0.000 0.997 272 K HN 0.496 nan 8.250 nan 0.000 0.477 273 V N 1.661 121.642 119.914 0.112 0.000 2.808 273 V HA 0.776 4.896 4.120 -0.000 0.000 0.308 273 V C -0.879 175.214 176.094 -0.000 0.000 1.099 273 V CA -1.128 61.218 62.300 0.076 0.000 0.920 273 V CB 1.994 33.880 31.823 0.104 0.000 1.014 273 V HN 0.793 nan 8.190 nan 0.000 0.425 274 A N 2.736 125.415 122.820 -0.235 0.000 2.413 274 A HA 1.058 5.378 4.320 -0.000 0.000 0.307 274 A C -0.517 176.689 177.584 -0.630 0.000 1.087 274 A CA -0.260 51.307 52.037 -0.784 0.000 0.750 274 A CB 2.030 20.739 19.000 -0.485 0.000 1.296 274 A HN 1.786 nan 8.150 nan 0.000 0.423 275 A N 0.446 122.728 122.820 -0.896 0.000 2.449 275 A HA 0.811 5.131 4.320 -0.000 0.000 0.302 275 A C -0.726 176.774 177.584 -0.141 0.000 1.048 275 A CA -0.136 51.720 52.037 -0.301 0.000 0.708 275 A CB 1.386 20.339 19.000 -0.078 0.000 1.274 275 A HN 2.250 nan 8.150 nan 0.000 0.410 276 V N -0.747 119.155 119.914 -0.019 0.000 3.012 276 V HA 0.578 4.698 4.120 -0.000 0.000 0.307 276 V C -0.434 175.717 176.094 0.095 0.000 1.166 276 V CA -1.301 61.023 62.300 0.040 0.000 0.974 276 V CB 1.325 33.160 31.823 0.019 0.000 1.040 276 V HN 0.901 nan 8.190 nan 0.000 0.428 277 K N 1.731 122.193 120.400 0.103 0.000 2.336 277 K HA 0.586 4.906 4.320 -0.000 0.000 0.262 277 K C 0.488 177.194 176.600 0.176 0.000 0.992 277 K CA 0.475 56.833 56.287 0.118 0.000 0.927 277 K CB 0.786 33.345 32.500 0.099 0.000 0.956 277 K HN 1.125 nan 8.250 nan 0.000 0.495 278 A N 3.378 126.277 122.820 0.131 0.000 2.371 278 A HA 0.300 4.620 4.320 -0.000 0.000 0.257 278 A C -2.172 175.487 177.584 0.125 0.000 1.089 278 A CA -1.377 50.720 52.037 0.100 0.000 0.794 278 A CB -0.133 18.889 19.000 0.037 0.000 1.029 278 A HN 0.454 nan 8.150 nan 0.000 0.488 279 P HA 0.384 nan 4.420 nan 0.000 0.276 279 P C 0.765 178.117 177.300 0.086 0.000 1.235 279 P CA 1.501 64.673 63.100 0.120 0.000 0.772 279 P CB 0.703 32.384 31.700 -0.032 0.000 0.871 280 G N 3.022 111.909 108.800 0.146 0.000 2.539 280 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.256 280 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.256 280 G C -0.671 174.409 174.900 0.300 0.000 1.233 280 G CA 0.231 45.450 45.100 0.198 0.000 0.936 280 G HN 0.759 nan 8.290 nan 0.000 0.571 281 F N -3.013 116.954 119.950 0.028 0.000 3.052 281 F HA 0.737 5.264 4.527 -0.000 0.000 0.323 281 F C 1.094 176.908 175.800 0.022 0.000 1.178 281 F CA 0.734 58.749 58.000 0.025 0.000 0.892 281 F CB 0.613 39.631 39.000 0.030 0.000 1.416 281 F HN 2.538 nan 8.300 nan 0.000 0.488 282 G N 1.071 109.729 108.800 -0.236 0.000 2.556 282 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.283 282 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.283 282 G C 0.346 175.131 174.900 -0.192 0.000 1.177 282 G CA 0.658 45.559 45.100 -0.332 0.000 0.978 282 G HN 0.933 nan 8.290 nan 0.000 0.554 283 D N 1.072 121.348 120.400 -0.208 0.000 2.110 283 D HA -0.058 4.582 4.640 -0.000 0.000 0.202 283 D C 2.623 178.850 176.300 -0.121 0.000 0.975 283 D CA 1.530 55.454 54.000 -0.127 0.000 0.839 283 D CB -0.129 40.607 40.800 -0.106 0.000 0.996 283 D HN 0.610 nan 8.370 nan 0.000 0.464 284 R N 1.516 121.925 120.500 -0.152 0.000 2.139 284 R HA -0.117 4.223 4.340 -0.000 0.000 0.243 284 R C 2.282 178.522 176.300 -0.101 0.000 1.145 284 R CA 0.968 56.994 56.100 -0.123 0.000 0.976 284 R CB -0.588 29.633 30.300 -0.132 0.000 0.866 284 R HN 0.079 nan 8.270 nan 0.000 0.449 285 R N 1.891 122.334 120.500 -0.096 0.000 2.136 285 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 285 R C 1.696 177.960 176.300 -0.060 0.000 1.131 285 R CA 2.507 58.574 56.100 -0.055 0.000 0.937 285 R CB -0.190 30.104 30.300 -0.012 0.000 0.863 285 R HN 0.339 nan 8.270 nan 0.000 0.435 286 K N -0.195 120.173 120.400 -0.054 0.000 2.063 286 K HA -0.122 4.197 4.320 -0.000 0.000 0.208 286 K C 2.182 178.748 176.600 -0.057 0.000 1.048 286 K CA 1.606 57.865 56.287 -0.047 0.000 0.928 286 K CB -0.224 32.253 32.500 -0.038 0.000 0.713 286 K HN 0.315 nan 8.250 nan 0.000 0.442 287 A N 1.151 123.932 122.820 -0.065 0.000 1.930 287 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 287 A C 2.142 179.679 177.584 -0.080 0.000 1.175 287 A CA 1.246 53.243 52.037 -0.067 0.000 0.627 287 A CB -0.379 18.581 19.000 -0.067 0.000 0.815 287 A HN 0.180 nan 8.150 nan 0.000 0.443 288 M N -1.086 118.457 119.600 -0.095 0.000 2.175 288 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 288 M C 2.205 178.412 176.300 -0.155 0.000 1.063 288 M CA 1.188 56.414 55.300 -0.123 0.000 1.119 288 M CB -0.293 32.228 32.600 -0.131 0.000 1.377 288 M HN 0.489 nan 8.290 nan 0.000 0.415 289 L N 0.139 121.281 121.223 -0.135 0.000 2.046 289 L HA -0.279 4.061 4.340 -0.000 0.000 0.208 289 L C 2.594 179.406 176.870 -0.097 0.000 1.077 289 L CA 1.513 56.276 54.840 -0.129 0.000 0.747 289 L CB -0.312 41.697 42.059 -0.084 0.000 0.896 289 L HN 0.302 nan 8.230 nan 0.000 0.432 290 Q N 0.215 119.969 119.800 -0.076 0.000 2.061 290 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 290 Q C 1.701 177.665 176.000 -0.061 0.000 0.984 290 Q CA 2.277 58.045 55.803 -0.058 0.000 0.846 290 Q CB -0.376 28.332 28.738 -0.049 0.000 0.902 290 Q HN 0.478 nan 8.270 nan 0.000 0.421 291 D N -0.074 120.281 120.400 -0.075 0.000 2.133 291 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 291 D C 1.961 178.216 176.300 -0.074 0.000 0.997 291 D CA 1.581 55.538 54.000 -0.072 0.000 0.840 291 D CB -0.270 40.480 40.800 -0.084 0.000 0.947 291 D HN 0.410 nan 8.370 nan 0.000 0.452 292 I N 1.285 121.793 120.570 -0.104 0.000 2.286 292 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 292 I C 2.553 178.639 176.117 -0.052 0.000 1.115 292 I CA 0.986 62.226 61.300 -0.100 0.000 1.392 292 I CB -0.224 37.677 38.000 -0.165 0.000 1.065 292 I HN -0.074 nan 8.210 nan 0.000 0.418 293 A N 0.676 123.469 122.820 -0.045 0.000 1.858 293 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 293 A C 2.411 179.986 177.584 -0.015 0.000 1.190 293 A CA 2.578 54.601 52.037 -0.022 0.000 0.617 293 A CB -1.214 17.772 19.000 -0.023 0.000 0.827 293 A HN 0.401 nan 8.150 nan 0.000 0.443 294 T N 0.636 115.176 114.554 -0.023 0.000 2.635 294 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 294 T C 1.834 176.527 174.700 -0.012 0.000 1.040 294 T CA 1.407 63.497 62.100 -0.017 0.000 1.156 294 T CB -0.452 68.402 68.868 -0.023 0.000 0.863 294 T HN 0.247 nan 8.240 nan 0.000 0.430 295 L N 1.844 123.058 121.223 -0.016 0.000 2.079 295 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 295 L C 2.334 179.204 176.870 -0.001 0.000 1.081 295 L CA 2.416 57.251 54.840 -0.009 0.000 0.752 295 L CB -1.443 40.609 42.059 -0.011 0.000 0.896 295 L HN 0.538 nan 8.230 nan 0.000 0.433 296 T N -4.558 109.998 114.554 0.002 0.000 3.069 296 T HA 0.273 4.623 4.350 -0.000 0.000 0.252 296 T C 1.233 175.946 174.700 0.022 0.000 1.053 296 T CA 0.373 62.481 62.100 0.013 0.000 0.964 296 T CB 0.049 68.929 68.868 0.020 0.000 1.005 296 T HN 0.485 nan 8.240 nan 0.000 0.532 297 G N 0.685 109.494 108.800 0.015 0.000 2.295 297 G HA2 0.058 4.018 3.960 -0.000 0.000 0.287 297 G HA3 0.058 4.018 3.960 -0.000 0.000 0.287 297 G C 0.309 175.227 174.900 0.029 0.000 1.055 297 G CA -0.115 44.996 45.100 0.020 0.000 0.922 297 G HN 1.045 nan 8.290 nan 0.000 0.503 298 G N -1.722 107.092 108.800 0.024 0.000 2.735 298 G HA2 0.797 4.757 3.960 -0.000 0.000 0.301 298 G HA3 0.797 4.757 3.960 -0.000 0.000 0.301 298 G C -0.458 174.448 174.900 0.010 0.000 1.279 298 G CA 0.092 45.208 45.100 0.026 0.000 1.019 298 G HN 0.602 nan 8.290 nan 0.000 0.497 299 T N 0.421 114.979 114.554 0.006 0.000 2.797 299 T HA 0.430 4.780 4.350 -0.000 0.000 0.279 299 T C 0.182 174.879 174.700 -0.005 0.000 0.991 299 T CA -0.281 61.818 62.100 -0.002 0.000 0.979 299 T CB 1.645 70.511 68.868 -0.004 0.000 0.943 299 T HN 0.362 nan 8.240 nan 0.000 0.444 300 V N 4.565 124.473 119.914 -0.011 0.000 2.585 300 V HA 0.172 4.292 4.120 -0.000 0.000 0.296 300 V C 0.312 176.400 176.094 -0.009 0.000 1.035 300 V CA 0.050 62.342 62.300 -0.013 0.000 1.084 300 V CB 0.018 31.829 31.823 -0.019 0.000 0.953 300 V HN 0.760 nan 8.190 nan 0.000 0.483 301 I N 5.314 125.879 120.570 -0.007 0.000 2.412 301 I HA 0.299 4.469 4.170 -0.000 0.000 0.279 301 I C 0.327 176.443 176.117 -0.003 0.000 1.063 301 I CA 0.132 61.429 61.300 -0.005 0.000 1.193 301 I CB 0.873 38.871 38.000 -0.004 0.000 1.370 301 I HN 0.738 nan 8.210 nan 0.000 0.479 302 S N 2.418 118.115 115.700 -0.004 0.000 2.621 302 S HA 0.458 4.928 4.470 -0.000 0.000 0.302 302 S C 0.485 175.085 174.600 -0.001 0.000 1.093 302 S CA -0.827 57.371 58.200 -0.002 0.000 1.017 302 S CB 1.961 65.158 63.200 -0.005 0.000 1.077 302 S HN 0.548 nan 8.310 nan 0.000 0.517 303 E N 0.490 120.691 120.200 0.001 0.000 2.435 303 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 303 E C 0.940 177.540 176.600 0.001 0.000 1.029 303 E CA 0.441 56.843 56.400 0.002 0.000 0.865 303 E CB -0.072 29.630 29.700 0.005 0.000 0.833 303 E HN 0.783 nan 8.360 nan 0.000 0.510 304 E N 0.550 120.749 120.200 -0.000 0.000 2.478 304 E HA -0.050 4.300 4.350 -0.000 0.000 0.198 304 E C 1.126 177.724 176.600 -0.003 0.000 1.046 304 E CA 0.557 56.956 56.400 -0.002 0.000 0.870 304 E CB 0.088 29.786 29.700 -0.003 0.000 0.818 304 E HN 0.359 nan 8.360 nan 0.000 0.527 305 I N -0.254 120.314 120.570 -0.004 0.000 3.974 305 I HA 0.213 4.383 4.170 -0.000 0.000 0.334 305 I C 0.806 176.921 176.117 -0.004 0.000 1.437 305 I CA -0.228 61.069 61.300 -0.005 0.000 1.113 305 I CB 0.592 38.588 38.000 -0.006 0.000 1.063 305 I HN 0.042 nan 8.210 nan 0.000 0.400 306 G N 2.274 111.072 108.800 -0.003 0.000 2.298 306 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.287 306 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.287 306 G C -0.101 174.798 174.900 -0.003 0.000 1.075 306 G CA 0.063 45.162 45.100 -0.002 0.000 0.960 306 G HN 0.337 nan 8.290 nan 0.000 0.502 307 M N -0.508 119.090 119.600 -0.003 0.000 2.508 307 M HA 0.633 5.113 4.480 -0.000 0.000 0.327 307 M C 0.043 176.341 176.300 -0.002 0.000 1.160 307 M CA -0.615 54.683 55.300 -0.004 0.000 0.980 307 M CB 1.975 34.572 32.600 -0.005 0.000 1.693 307 M HN 0.277 nan 8.290 nan 0.000 0.452 308 E N 1.203 121.402 120.200 -0.003 0.000 2.277 308 E HA 0.374 4.724 4.350 -0.000 0.000 0.266 308 E C 0.110 176.708 176.600 -0.003 0.000 0.901 308 E CA -0.724 55.675 56.400 -0.001 0.000 0.782 308 E CB 2.136 31.836 29.700 -0.001 0.000 1.228 308 E HN 0.607 nan 8.360 nan 0.000 0.424 309 L N 0.957 122.180 121.223 -0.001 0.000 2.265 309 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 309 L C 1.603 178.468 176.870 -0.008 0.000 1.117 309 L CA 1.147 55.985 54.840 -0.003 0.000 0.782 309 L CB -0.379 41.681 42.059 0.002 0.000 0.914 309 L HN 0.581 nan 8.230 nan 0.000 0.441 310 E N 0.621 120.817 120.200 -0.006 0.000 2.072 310 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 310 E C 1.039 177.631 176.600 -0.013 0.000 0.985 310 E CA 1.058 57.453 56.400 -0.009 0.000 0.801 310 E CB -0.017 29.679 29.700 -0.006 0.000 0.750 310 E HN 0.297 nan 8.360 nan 0.000 0.452 311 K N 0.448 120.841 120.400 -0.012 0.000 3.165 311 K HA 0.389 4.709 4.320 -0.000 0.000 0.259 311 K C -0.893 175.696 176.600 -0.019 0.000 1.282 311 K CA -0.208 56.070 56.287 -0.015 0.000 1.259 311 K CB 0.711 33.204 32.500 -0.011 0.000 1.546 311 K HN -0.024 nan 8.250 nan 0.000 0.384 312 A N 1.341 124.146 122.820 -0.025 0.000 2.340 312 A HA 0.308 4.628 4.320 -0.000 0.000 0.297 312 A C 0.143 177.696 177.584 -0.050 0.000 1.195 312 A CA -0.727 51.290 52.037 -0.033 0.000 0.769 312 A CB 0.525 19.508 19.000 -0.029 0.000 1.163 312 A HN 0.313 nan 8.150 nan 0.000 0.472 313 T N 0.107 114.627 114.554 -0.056 0.000 2.862 313 T HA 0.476 4.826 4.350 -0.000 0.000 0.276 313 T C 1.295 175.924 174.700 -0.118 0.000 0.974 313 T CA -0.640 61.412 62.100 -0.079 0.000 0.966 313 T CB 0.399 69.231 68.868 -0.061 0.000 1.072 313 T HN 0.355 nan 8.240 nan 0.000 0.538 314 L N -0.014 121.102 121.223 -0.180 0.000 2.197 314 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 314 L C 2.911 179.664 176.870 -0.195 0.000 1.095 314 L CA 1.654 56.304 54.840 -0.315 0.000 0.764 314 L CB -0.554 41.261 42.059 -0.407 0.000 0.897 314 L HN 0.858 nan 8.230 nan 0.000 0.436 315 E N -0.108 120.036 120.200 -0.093 0.000 2.347 315 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 315 E C 1.107 177.699 176.600 -0.014 0.000 1.008 315 E CA 0.707 57.090 56.400 -0.029 0.000 0.852 315 E CB 0.185 29.875 29.700 -0.018 0.000 0.783 315 E HN 0.548 nan 8.360 nan 0.000 0.505 316 D N 0.185 120.566 120.400 -0.031 0.000 2.347 316 D HA -0.037 4.603 4.640 -0.000 0.000 0.213 316 D C 0.093 176.393 176.300 -0.000 0.000 0.985 316 D CA 0.267 54.258 54.000 -0.016 0.000 0.879 316 D CB 0.348 41.134 40.800 -0.023 0.000 0.919 316 D HN 0.132 nan 8.370 nan 0.000 0.526 317 L N 1.053 122.276 121.223 0.000 0.000 2.326 317 L HA 0.326 4.666 4.340 -0.000 0.000 0.278 317 L C 1.345 178.287 176.870 0.120 0.000 1.092 317 L CA -0.247 54.623 54.840 0.050 0.000 0.810 317 L CB 1.362 43.437 42.059 0.026 0.000 1.153 317 L HN -0.156 nan 8.230 nan 0.000 0.439 318 G N 1.676 110.540 108.800 0.107 0.000 2.684 318 G HA2 0.366 4.326 3.960 -0.000 0.000 0.255 318 G HA3 0.366 4.326 3.960 -0.000 0.000 0.255 318 G C -0.776 174.214 174.900 0.149 0.000 1.219 318 G CA -0.170 44.989 45.100 0.099 0.000 0.901 318 G HN 0.597 nan 8.290 nan 0.000 0.548 319 Q N -1.627 118.219 119.800 0.077 0.000 2.377 319 Q HA 0.602 4.942 4.340 -0.000 0.000 0.279 319 Q C -0.748 175.239 176.000 -0.022 0.000 1.049 319 Q CA -0.681 55.125 55.803 0.005 0.000 0.825 319 Q CB 2.109 30.826 28.738 -0.035 0.000 1.401 319 Q HN 0.949 nan 8.270 nan 0.000 0.404 320 A N 1.903 124.690 122.820 -0.055 0.000 2.504 320 A HA 0.541 4.861 4.320 -0.000 0.000 0.285 320 A C -0.597 176.949 177.584 -0.063 0.000 1.261 320 A CA -0.541 51.472 52.037 -0.040 0.000 0.741 320 A CB 1.446 20.438 19.000 -0.013 0.000 1.327 320 A HN 0.776 nan 8.150 nan 0.000 0.441 321 K N -0.801 119.573 120.400 -0.043 0.000 2.284 321 K HA 0.203 4.523 4.320 -0.000 0.000 0.198 321 K C 0.313 176.891 176.600 -0.037 0.000 1.048 321 K CA 0.760 57.020 56.287 -0.045 0.000 0.987 321 K CB 0.335 32.816 32.500 -0.032 0.000 0.800 321 K HN 0.507 nan 8.250 nan 0.000 0.486 322 R N -0.043 120.442 120.500 -0.025 0.000 2.629 322 R HA 0.247 4.587 4.340 -0.000 0.000 0.266 322 R C -1.800 174.496 176.300 -0.007 0.000 1.051 322 R CA -0.584 55.505 56.100 -0.017 0.000 0.895 322 R CB 2.297 32.590 30.300 -0.011 0.000 1.246 322 R HN -0.077 nan 8.270 nan 0.000 0.459 323 V N -0.820 119.091 119.914 -0.005 0.000 3.049 323 V HA 0.860 4.980 4.120 -0.000 0.000 0.309 323 V C -1.183 174.908 176.094 -0.005 0.000 1.148 323 V CA -0.728 61.573 62.300 0.001 0.000 0.990 323 V CB 2.268 34.096 31.823 0.008 0.000 1.039 323 V HN 0.416 nan 8.190 nan 0.000 0.430 324 V N 4.321 124.226 119.914 -0.014 0.000 2.760 324 V HA 0.679 4.799 4.120 -0.000 0.000 0.309 324 V C -0.502 175.563 176.094 -0.047 0.000 1.077 324 V CA -0.332 61.957 62.300 -0.017 0.000 0.910 324 V CB 1.821 33.634 31.823 -0.016 0.000 1.008 324 V HN 1.171 nan 8.190 nan 0.000 0.424 325 I N 0.992 121.549 120.570 -0.022 0.000 2.534 325 I HA 0.670 4.840 4.170 -0.000 0.000 0.288 325 I C -0.668 175.442 176.117 -0.012 0.000 1.077 325 I CA -0.430 60.835 61.300 -0.057 0.000 1.051 325 I CB 2.102 40.069 38.000 -0.056 0.000 1.234 325 I HN 0.472 nan 8.210 nan 0.000 0.425 326 N N 4.981 123.608 118.700 -0.122 0.000 2.495 326 N HA 0.205 4.945 4.740 -0.000 0.000 0.294 326 N C 0.719 175.956 175.510 -0.455 0.000 1.276 326 N CA -0.651 52.321 53.050 -0.131 0.000 0.973 326 N CB 0.830 39.248 38.487 -0.115 0.000 1.143 326 N HN 0.703 nan 8.380 nan 0.000 0.589 327 K N 0.238 120.392 120.400 -0.410 0.000 2.127 327 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 327 K C -0.439 175.835 176.600 -0.543 0.000 1.047 327 K CA 2.363 58.294 56.287 -0.594 0.000 0.927 327 K CB -0.057 32.336 32.500 -0.178 0.000 0.716 327 K HN 0.636 nan 8.250 nan 0.000 0.450 328 D N -2.077 118.116 120.400 -0.345 0.000 2.783 328 D HA 0.088 4.728 4.640 -0.000 0.000 0.306 328 D C -1.001 175.164 176.300 -0.225 0.000 1.633 328 D CA -0.413 53.439 54.000 -0.247 0.000 0.796 328 D CB 0.897 41.604 40.800 -0.154 0.000 1.230 328 D HN -0.150 nan 8.370 nan 0.000 0.441 329 T N 0.472 114.869 114.554 -0.262 0.000 3.078 329 T HA 0.393 4.742 4.350 -0.000 0.000 0.328 329 T C -0.744 173.756 174.700 -0.333 0.000 0.987 329 T CA -0.369 61.570 62.100 -0.269 0.000 1.049 329 T CB 1.498 70.262 68.868 -0.174 0.000 1.011 329 T HN -0.077 nan 8.240 nan 0.000 0.463 330 T N 2.938 117.147 114.554 -0.575 0.000 2.845 330 T HA 0.650 5.000 4.350 -0.000 0.000 0.288 330 T C 0.212 174.594 174.700 -0.529 0.000 0.980 330 T CA -0.451 61.275 62.100 -0.623 0.000 1.071 330 T CB 1.337 69.692 68.868 -0.855 0.000 0.941 330 T HN 0.584 nan 8.240 nan 0.000 0.487 331 T N 2.324 116.758 114.554 -0.200 0.000 2.971 331 T HA 0.645 4.995 4.350 -0.000 0.000 0.304 331 T C -1.188 173.535 174.700 0.039 0.000 1.038 331 T CA -0.749 61.331 62.100 -0.035 0.000 1.007 331 T CB 0.377 69.221 68.868 -0.040 0.000 1.055 331 T HN 0.422 nan 8.240 nan 0.000 0.451 332 I N 5.597 126.228 120.570 0.101 0.000 2.355 332 I HA 0.467 4.637 4.170 -0.000 0.000 0.288 332 I C -0.211 175.935 176.117 0.048 0.000 0.999 332 I CA -0.742 60.605 61.300 0.078 0.000 1.163 332 I CB 1.506 39.569 38.000 0.105 0.000 1.316 332 I HN 0.585 nan 8.210 nan 0.000 0.454 333 I N 5.347 125.932 120.570 0.025 0.000 2.353 333 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 333 I C -0.350 175.772 176.117 0.007 0.000 0.992 333 I CA -0.406 60.902 61.300 0.014 0.000 1.268 333 I CB 0.918 38.922 38.000 0.006 0.000 1.387 333 I HN 0.596 nan 8.210 nan 0.000 0.478 334 D N 4.503 124.907 120.400 0.006 0.000 4.044 334 D HA -0.100 4.540 4.640 -0.000 0.000 0.242 334 D C 0.101 176.400 176.300 -0.003 0.000 1.076 334 D CA 0.968 54.968 54.000 -0.001 0.000 1.171 334 D CB -0.134 40.663 40.800 -0.006 0.000 0.866 334 D HN 0.841 nan 8.370 nan 0.000 0.413 335 G N 0.749 109.549 108.800 0.000 0.000 2.537 335 G HA2 0.414 4.374 3.960 -0.000 0.000 0.273 335 G HA3 0.414 4.374 3.960 -0.000 0.000 0.273 335 G C 1.270 176.168 174.900 -0.003 0.000 1.189 335 G CA -0.441 44.659 45.100 -0.000 0.000 0.881 335 G HN 0.377 nan 8.290 nan 0.000 0.535 336 V N 1.168 121.081 119.914 -0.002 0.000 3.129 336 V HA 0.089 4.209 4.120 -0.000 0.000 0.259 336 V C 2.059 178.157 176.094 0.005 0.000 1.116 336 V CA 0.969 63.269 62.300 -0.000 0.000 1.127 336 V CB -0.664 31.161 31.823 0.003 0.000 0.742 336 V HN 0.806 nan 8.190 nan 0.000 0.474 337 G N 1.018 109.821 108.800 0.006 0.000 2.305 337 G HA2 0.108 4.068 3.960 -0.000 0.000 0.243 337 G HA3 0.108 4.068 3.960 -0.000 0.000 0.243 337 G C -0.161 174.740 174.900 0.002 0.000 1.288 337 G CA -0.173 44.930 45.100 0.005 0.000 0.901 337 G HN 0.527 nan 8.290 nan 0.000 0.516 338 E N 1.727 121.928 120.200 0.002 0.000 2.331 338 E HA 0.098 4.447 4.350 -0.000 0.000 0.272 338 E C 0.607 177.205 176.600 -0.002 0.000 1.036 338 E CA -0.245 56.155 56.400 0.000 0.000 0.864 338 E CB 1.621 31.322 29.700 0.001 0.000 1.035 338 E HN 0.658 nan 8.360 nan 0.000 0.408 339 E N 1.415 121.613 120.200 -0.002 0.000 2.463 339 E HA -0.194 4.156 4.350 -0.000 0.000 0.201 339 E C 1.472 178.069 176.600 -0.004 0.000 1.045 339 E CA 0.617 57.015 56.400 -0.004 0.000 0.872 339 E CB -0.005 29.693 29.700 -0.003 0.000 0.797 339 E HN 0.570 nan 8.360 nan 0.000 0.538 340 A N 1.535 124.353 122.820 -0.003 0.000 1.841 340 A HA -0.059 4.261 4.320 -0.000 0.000 0.214 340 A C 2.407 179.988 177.584 -0.005 0.000 1.195 340 A CA 1.473 53.508 52.037 -0.004 0.000 0.611 340 A CB -0.713 18.285 19.000 -0.003 0.000 0.835 340 A HN 0.313 nan 8.150 nan 0.000 0.443 341 A N 0.052 122.869 122.820 -0.005 0.000 1.877 341 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 341 A C 2.134 179.712 177.584 -0.009 0.000 1.186 341 A CA 1.581 53.614 52.037 -0.006 0.000 0.620 341 A CB -0.742 18.255 19.000 -0.005 0.000 0.822 341 A HN 0.507 nan 8.150 nan 0.000 0.443 342 I N -1.022 119.543 120.570 -0.009 0.000 2.058 342 I HA -0.323 3.847 4.170 -0.000 0.000 0.235 342 I C 2.751 178.861 176.117 -0.012 0.000 1.053 342 I CA 2.008 63.302 61.300 -0.011 0.000 1.313 342 I CB -0.564 37.431 38.000 -0.009 0.000 1.039 342 I HN 0.339 nan 8.210 nan 0.000 0.396 343 Q N 1.267 121.062 119.800 -0.010 0.000 2.248 343 Q HA -0.145 4.195 4.340 -0.000 0.000 0.208 343 Q C 1.942 177.935 176.000 -0.011 0.000 0.984 343 Q CA 1.932 57.729 55.803 -0.010 0.000 0.875 343 Q CB -0.705 28.028 28.738 -0.008 0.000 0.910 343 Q HN 0.564 nan 8.270 nan 0.000 0.433 344 G N 0.000 108.794 108.800 -0.010 0.000 2.484 344 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.215 344 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.215 344 G C 1.471 176.363 174.900 -0.014 0.000 1.219 344 G CA 0.871 45.965 45.100 -0.011 0.000 0.791 344 G HN 0.378 nan 8.290 nan 0.000 0.550 345 R N 0.242 120.733 120.500 -0.016 0.000 2.105 345 R HA -0.033 4.307 4.340 -0.000 0.000 0.239 345 R C 2.526 178.813 176.300 -0.022 0.000 1.135 345 R CA 1.600 57.688 56.100 -0.020 0.000 0.967 345 R CB -0.920 29.367 30.300 -0.022 0.000 0.861 345 R HN 0.245 nan 8.270 nan 0.000 0.442 346 V N 0.630 120.532 119.914 -0.020 0.000 2.295 346 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 346 V C 2.296 178.378 176.094 -0.019 0.000 1.049 346 V CA 1.965 64.253 62.300 -0.020 0.000 1.024 346 V CB -0.954 30.859 31.823 -0.017 0.000 0.648 346 V HN 0.555 nan 8.190 nan 0.000 0.447 347 A N -1.199 121.612 122.820 -0.016 0.000 2.125 347 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 347 A C 2.156 179.730 177.584 -0.017 0.000 1.156 347 A CA 1.534 53.562 52.037 -0.015 0.000 0.671 347 A CB -0.348 18.645 19.000 -0.013 0.000 0.794 347 A HN 0.666 nan 8.150 nan 0.000 0.459 348 Q N -0.595 119.193 119.800 -0.019 0.000 2.033 348 Q HA -0.017 4.323 4.340 -0.000 0.000 0.196 348 Q C 1.868 177.853 176.000 -0.025 0.000 0.970 348 Q CA 1.403 57.194 55.803 -0.021 0.000 0.828 348 Q CB -0.254 28.471 28.738 -0.022 0.000 0.895 348 Q HN 0.760 nan 8.270 nan 0.000 0.440 349 I N 0.410 120.963 120.570 -0.028 0.000 2.614 349 I HA -0.209 3.961 4.170 -0.000 0.000 0.258 349 I C 2.383 178.482 176.117 -0.030 0.000 1.189 349 I CA 0.716 61.996 61.300 -0.033 0.000 1.462 349 I CB -0.206 37.772 38.000 -0.037 0.000 1.092 349 I HN 0.068 nan 8.210 nan 0.000 0.442 350 R N 1.071 121.556 120.500 -0.025 0.000 2.115 350 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 350 R C 2.051 178.338 176.300 -0.021 0.000 1.111 350 R CA 1.350 57.437 56.100 -0.022 0.000 0.976 350 R CB -0.004 30.285 30.300 -0.018 0.000 0.870 350 R HN 0.434 nan 8.270 nan 0.000 0.445 351 Q N -0.880 118.907 119.800 -0.020 0.000 2.392 351 Q HA 0.000 4.340 4.340 -0.000 0.000 0.203 351 Q C 1.532 177.520 176.000 -0.021 0.000 0.917 351 Q CA 0.191 55.983 55.803 -0.019 0.000 0.939 351 Q CB 0.665 29.394 28.738 -0.016 0.000 1.063 351 Q HN 0.408 nan 8.270 nan 0.000 0.516 352 Q N 0.384 120.168 119.800 -0.026 0.000 2.083 352 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 352 Q C 2.073 178.054 176.000 -0.032 0.000 0.969 352 Q CA 0.996 56.780 55.803 -0.031 0.000 0.838 352 Q CB -0.031 28.684 28.738 -0.039 0.000 0.900 352 Q HN 0.460 nan 8.270 nan 0.000 0.436 353 I N 1.490 122.040 120.570 -0.032 0.000 2.226 353 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 353 I C 2.172 178.276 176.117 -0.022 0.000 1.100 353 I CA 1.038 62.319 61.300 -0.031 0.000 1.374 353 I CB -0.414 37.568 38.000 -0.030 0.000 1.057 353 I HN 0.097 nan 8.210 nan 0.000 0.413 354 E N 1.350 121.538 120.200 -0.019 0.000 2.118 354 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 354 E C 1.524 178.117 176.600 -0.012 0.000 0.992 354 E CA 1.435 57.827 56.400 -0.014 0.000 0.804 354 E CB -0.284 29.409 29.700 -0.012 0.000 0.741 354 E HN 0.677 nan 8.360 nan 0.000 0.458 355 E N 0.028 120.219 120.200 -0.014 0.000 2.501 355 E HA 0.301 4.651 4.350 -0.000 0.000 0.201 355 E C 0.013 176.606 176.600 -0.013 0.000 1.016 355 E CA -0.035 56.358 56.400 -0.012 0.000 0.920 355 E CB 0.816 30.509 29.700 -0.012 0.000 1.023 355 E HN 0.037 nan 8.360 nan 0.000 0.474 356 A N 1.918 124.728 122.820 -0.017 0.000 2.541 356 A HA 0.065 4.385 4.320 -0.000 0.000 0.293 356 A C 1.382 178.962 177.584 -0.007 0.000 1.307 356 A CA 0.010 52.037 52.037 -0.018 0.000 0.978 356 A CB -0.511 18.471 19.000 -0.030 0.000 1.111 356 A HN 0.271 nan 8.150 nan 0.000 0.535 357 T N 0.028 114.582 114.554 -0.001 0.000 3.118 357 T HA 0.111 4.461 4.350 -0.000 0.000 0.260 357 T C 0.965 175.673 174.700 0.014 0.000 1.139 357 T CA 0.861 62.965 62.100 0.006 0.000 1.085 357 T CB -0.083 68.789 68.868 0.007 0.000 0.934 357 T HN 0.502 nan 8.240 nan 0.000 0.518 358 S N -0.460 115.251 115.700 0.018 0.000 2.747 358 S HA 0.391 4.861 4.470 -0.000 0.000 0.300 358 S C 0.329 174.950 174.600 0.036 0.000 1.121 358 S CA -0.734 57.488 58.200 0.036 0.000 0.995 358 S CB 1.449 64.683 63.200 0.057 0.000 1.113 358 S HN 0.129 nan 8.310 nan 0.000 0.547 359 D N 0.155 120.592 120.400 0.062 0.000 2.290 359 D HA 0.013 4.653 4.640 -0.000 0.000 0.224 359 D C 1.406 177.754 176.300 0.080 0.000 0.967 359 D CA 0.962 54.999 54.000 0.061 0.000 0.893 359 D CB -0.437 40.403 40.800 0.067 0.000 1.037 359 D HN 0.659 nan 8.370 nan 0.000 0.477 360 Y N 2.038 122.338 120.300 0.000 0.000 2.315 360 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 360 Y C 1.252 177.148 175.900 -0.006 0.000 1.154 360 Y CA 1.578 59.678 58.100 0.001 0.000 1.229 360 Y CB -0.160 38.303 38.460 0.006 0.000 0.980 360 Y HN -0.112 nan 8.280 nan 0.000 0.540 361 D N -0.596 119.749 120.400 -0.091 0.000 2.219 361 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 361 D C 2.119 178.336 176.300 -0.139 0.000 0.970 361 D CA 0.971 54.887 54.000 -0.140 0.000 0.851 361 D CB -0.048 40.730 40.800 -0.037 0.000 0.943 361 D HN 0.279 nan 8.370 nan 0.000 0.488 362 R N 0.264 120.705 120.500 -0.098 0.000 2.127 362 R HA -0.056 4.284 4.340 -0.000 0.000 0.217 362 R C 1.641 177.883 176.300 -0.097 0.000 1.074 362 R CA 0.672 56.726 56.100 -0.076 0.000 0.991 362 R CB 0.269 30.545 30.300 -0.040 0.000 0.895 362 R HN 0.066 nan 8.270 nan 0.000 0.450 363 E N 1.106 121.230 120.200 -0.126 0.000 2.023 363 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 363 E C 1.773 178.291 176.600 -0.137 0.000 1.003 363 E CA 1.195 57.523 56.400 -0.119 0.000 0.809 363 E CB -0.184 29.443 29.700 -0.121 0.000 0.755 363 E HN 0.152 nan 8.360 nan 0.000 0.449 364 K N 0.880 121.148 120.400 -0.221 0.000 2.057 364 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 364 K C 2.521 179.046 176.600 -0.125 0.000 1.049 364 K CA 0.701 56.876 56.287 -0.186 0.000 0.931 364 K CB -0.750 31.596 32.500 -0.256 0.000 0.714 364 K HN 0.180 nan 8.250 nan 0.000 0.440 365 L N 1.052 122.202 121.223 -0.122 0.000 2.017 365 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 365 L C 2.683 179.513 176.870 -0.066 0.000 1.073 365 L CA 1.410 56.197 54.840 -0.087 0.000 0.745 365 L CB -0.527 41.485 42.059 -0.079 0.000 0.894 365 L HN 0.233 nan 8.230 nan 0.000 0.432 366 Q N -0.139 119.623 119.800 -0.063 0.000 2.135 366 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 366 Q C 2.133 178.109 176.000 -0.041 0.000 0.981 366 Q CA 1.690 57.465 55.803 -0.048 0.000 0.856 366 Q CB -0.088 28.622 28.738 -0.046 0.000 0.902 366 Q HN 0.517 nan 8.270 nan 0.000 0.425 367 E N 0.304 120.477 120.200 -0.046 0.000 2.058 367 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 367 E C 2.030 178.613 176.600 -0.029 0.000 0.997 367 E CA 1.112 57.493 56.400 -0.032 0.000 0.801 367 E CB -0.034 29.647 29.700 -0.032 0.000 0.746 367 E HN 0.274 nan 8.360 nan 0.000 0.450 368 R N 0.522 120.997 120.500 -0.042 0.000 2.092 368 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 368 R C 2.738 179.017 176.300 -0.035 0.000 1.119 368 R CA 1.394 57.468 56.100 -0.043 0.000 0.970 368 R CB -0.730 29.535 30.300 -0.058 0.000 0.864 368 R HN 0.228 nan 8.270 nan 0.000 0.440 369 V N -0.767 119.126 119.914 -0.034 0.000 2.407 369 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 369 V C 2.222 178.304 176.094 -0.020 0.000 1.055 369 V CA 1.946 64.229 62.300 -0.028 0.000 1.049 369 V CB -0.771 31.035 31.823 -0.029 0.000 0.662 369 V HN 0.261 nan 8.190 nan 0.000 0.455 370 A N 0.082 122.891 122.820 -0.017 0.000 1.929 370 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 370 A C 2.290 179.872 177.584 -0.003 0.000 1.176 370 A CA 1.658 53.689 52.037 -0.009 0.000 0.628 370 A CB -0.564 18.432 19.000 -0.008 0.000 0.816 370 A HN 0.595 nan 8.150 nan 0.000 0.444 371 K N -0.771 119.627 120.400 -0.003 0.000 2.209 371 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 371 K C 1.503 178.103 176.600 0.000 0.000 1.048 371 K CA 1.187 57.478 56.287 0.006 0.000 0.940 371 K CB -0.186 32.316 32.500 0.002 0.000 0.729 371 K HN 0.473 nan 8.250 nan 0.000 0.451 372 L N -1.083 120.134 121.223 -0.010 0.000 2.362 372 L HA 0.115 4.455 4.340 -0.000 0.000 0.204 372 L C 1.913 178.778 176.870 -0.009 0.000 1.060 372 L CA 0.281 55.114 54.840 -0.012 0.000 0.827 372 L CB -0.134 41.913 42.059 -0.021 0.000 1.027 372 L HN 0.074 nan 8.230 nan 0.000 0.474 373 A N 0.284 123.098 122.820 -0.009 0.000 2.618 373 A HA 0.305 4.625 4.320 -0.000 0.000 0.199 373 A C 1.715 179.297 177.584 -0.004 0.000 1.666 373 A CA 0.864 52.896 52.037 -0.008 0.000 0.621 373 A CB -1.412 17.582 19.000 -0.010 0.000 1.172 373 A HN 0.259 nan 8.150 nan 0.000 0.489 374 G N -1.596 107.202 108.800 -0.004 0.000 2.961 374 G HA2 0.423 4.383 3.960 -0.000 0.000 0.150 374 G HA3 0.423 4.383 3.960 -0.000 0.000 0.150 374 G C 0.501 175.402 174.900 0.002 0.000 1.864 374 G CA 0.655 45.755 45.100 -0.001 0.000 0.992 374 G HN 1.376 nan 8.290 nan 0.000 0.458 375 G N -2.767 106.035 108.800 0.003 0.000 2.827 375 G HA2 0.514 4.474 3.960 -0.000 0.000 0.296 375 G HA3 0.514 4.474 3.960 -0.000 0.000 0.296 375 G C -2.017 172.887 174.900 0.007 0.000 1.362 375 G CA -0.240 44.865 45.100 0.007 0.000 0.809 375 G HN 0.739 nan 8.290 nan 0.000 0.522 376 V N -0.127 119.793 119.914 0.010 0.000 2.735 376 V HA 0.818 4.938 4.120 -0.000 0.000 0.310 376 V C -0.026 176.074 176.094 0.010 0.000 1.061 376 V CA -0.257 62.049 62.300 0.010 0.000 0.913 376 V CB 1.487 33.319 31.823 0.016 0.000 1.005 376 V HN 1.353 nan 8.190 nan 0.000 0.428 377 A N 4.025 126.851 122.820 0.009 0.000 2.413 377 A HA 0.956 5.276 4.320 -0.000 0.000 0.307 377 A C -1.349 176.242 177.584 0.012 0.000 1.087 377 A CA -0.591 51.452 52.037 0.009 0.000 0.750 377 A CB 2.101 21.106 19.000 0.009 0.000 1.296 377 A HN 0.719 nan 8.150 nan 0.000 0.423 378 V N 2.100 122.021 119.914 0.011 0.000 2.588 378 V HA 0.452 4.572 4.120 -0.000 0.000 0.304 378 V C -0.552 175.549 176.094 0.012 0.000 1.042 378 V CA -0.235 62.072 62.300 0.013 0.000 0.877 378 V CB 1.601 33.431 31.823 0.011 0.000 0.996 378 V HN 0.754 nan 8.190 nan 0.000 0.425 379 I N 4.177 124.756 120.570 0.015 0.000 2.339 379 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 379 I C 0.039 176.163 176.117 0.013 0.000 0.994 379 I CA -0.452 60.857 61.300 0.014 0.000 1.191 379 I CB 1.410 39.420 38.000 0.017 0.000 1.343 379 I HN 0.509 nan 8.210 nan 0.000 0.458 380 K N 5.925 126.331 120.400 0.010 0.000 2.265 380 K HA 0.528 4.848 4.320 -0.000 0.000 0.267 380 K C -1.037 175.568 176.600 0.007 0.000 0.994 380 K CA -0.660 55.632 56.287 0.008 0.000 0.860 380 K CB 2.221 34.724 32.500 0.006 0.000 1.099 380 K HN 0.301 nan 8.250 nan 0.000 0.448 381 V N 2.037 121.955 119.914 0.007 0.000 2.439 381 V HA 0.386 4.506 4.120 -0.000 0.000 0.282 381 V C 0.678 176.774 176.094 0.004 0.000 1.039 381 V CA -0.905 61.398 62.300 0.006 0.000 0.913 381 V CB 1.357 33.184 31.823 0.006 0.000 0.983 381 V HN 0.894 nan 8.190 nan 0.000 0.460 382 G N 2.617 111.418 108.800 0.003 0.000 2.389 382 G HA2 0.784 4.744 3.960 -0.000 0.000 0.317 382 G HA3 0.784 4.744 3.960 -0.000 0.000 0.317 382 G C -0.525 174.376 174.900 0.001 0.000 1.137 382 G CA 0.010 45.111 45.100 0.002 0.000 0.870 382 G HN 1.248 nan 8.290 nan 0.000 0.496 383 A N 0.071 122.892 122.820 0.001 0.000 2.610 383 A HA 0.798 5.118 4.320 -0.000 0.000 0.291 383 A C 0.759 178.343 177.584 -0.000 0.000 1.086 383 A CA 0.292 52.329 52.037 0.000 0.000 0.677 383 A CB 0.845 19.846 19.000 0.000 0.000 1.278 383 A HN 1.696 nan 8.150 nan 0.000 0.414 384 A N -0.126 122.693 122.820 -0.001 0.000 1.874 384 A HA 0.346 4.666 4.320 -0.000 0.000 0.214 384 A C 1.527 179.111 177.584 -0.001 0.000 1.189 384 A CA 2.538 54.575 52.037 -0.001 0.000 0.615 384 A CB -0.810 18.189 19.000 -0.002 0.000 0.830 384 A HN 1.740 nan 8.150 nan 0.000 0.443 385 T N -4.637 109.916 114.554 -0.001 0.000 2.769 385 T HA 0.513 4.863 4.350 -0.000 0.000 0.258 385 T C 0.723 175.423 174.700 0.000 0.000 1.008 385 T CA 0.194 62.293 62.100 -0.001 0.000 1.021 385 T CB 1.171 70.038 68.868 -0.002 0.000 1.788 385 T HN 0.152 nan 8.240 nan 0.000 0.577 386 E N -0.461 119.740 120.200 0.000 0.000 2.414 386 E HA 0.110 4.460 4.350 -0.000 0.000 0.208 386 E C 2.205 178.806 176.600 0.001 0.000 0.820 386 E CA 0.484 56.885 56.400 0.002 0.000 1.143 386 E CB 0.576 30.278 29.700 0.004 0.000 1.150 386 E HN 0.501 nan 8.360 nan 0.000 0.540 387 V N -0.029 119.884 119.914 -0.002 0.000 2.568 387 V HA -0.205 3.915 4.120 -0.000 0.000 0.253 387 V C 1.998 178.089 176.094 -0.004 0.000 1.072 387 V CA 2.145 64.443 62.300 -0.004 0.000 1.084 387 V CB -0.552 31.266 31.823 -0.008 0.000 0.676 387 V HN 0.175 nan 8.190 nan 0.000 0.469 388 E N -0.061 120.137 120.200 -0.003 0.000 2.086 388 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 388 E C 2.113 178.712 176.600 -0.001 0.000 0.975 388 E CA 1.146 57.544 56.400 -0.003 0.000 0.813 388 E CB -0.149 29.550 29.700 -0.003 0.000 0.768 388 E HN 0.525 nan 8.360 nan 0.000 0.457 389 M N 1.410 121.011 119.600 0.000 0.000 2.082 389 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 389 M C 1.874 178.175 176.300 0.002 0.000 1.069 389 M CA 1.817 57.118 55.300 0.002 0.000 1.102 389 M CB -0.073 32.529 32.600 0.004 0.000 1.336 389 M HN -0.103 nan 8.290 nan 0.000 0.404 390 K N -0.445 119.957 120.400 0.003 0.000 1.985 390 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 390 K C 1.970 178.569 176.600 -0.000 0.000 1.047 390 K CA 1.993 58.282 56.287 0.003 0.000 0.932 390 K CB -0.325 32.179 32.500 0.006 0.000 0.716 390 K HN 0.559 nan 8.250 nan 0.000 0.439 391 E N 1.282 121.480 120.200 -0.002 0.000 2.085 391 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 391 E C 1.840 178.436 176.600 -0.006 0.000 0.994 391 E CA 1.837 58.234 56.400 -0.005 0.000 0.801 391 E CB -0.065 29.632 29.700 -0.006 0.000 0.743 391 E HN 0.081 nan 8.360 nan 0.000 0.453 392 K N 0.898 121.296 120.400 -0.004 0.000 2.002 392 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 392 K C 2.199 178.798 176.600 -0.003 0.000 1.048 392 K CA 1.915 58.200 56.287 -0.003 0.000 0.930 392 K CB -0.230 32.269 32.500 -0.002 0.000 0.714 392 K HN 0.107 nan 8.250 nan 0.000 0.438 393 K N -0.405 119.995 120.400 -0.001 0.000 2.113 393 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 393 K C 1.909 178.505 176.600 -0.006 0.000 1.047 393 K CA 1.421 57.708 56.287 0.001 0.000 0.928 393 K CB -0.274 32.229 32.500 0.004 0.000 0.716 393 K HN 0.299 nan 8.250 nan 0.000 0.446 394 A N 0.823 123.637 122.820 -0.011 0.000 2.015 394 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 394 A C 2.002 179.567 177.584 -0.031 0.000 1.163 394 A CA 1.222 53.245 52.037 -0.024 0.000 0.646 394 A CB -0.260 18.728 19.000 -0.020 0.000 0.806 394 A HN 0.268 nan 8.150 nan 0.000 0.448 395 R N -0.887 119.602 120.500 -0.019 0.000 2.066 395 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 395 R C 2.057 178.349 176.300 -0.013 0.000 1.122 395 R CA 1.217 57.307 56.100 -0.017 0.000 0.974 395 R CB -0.434 29.860 30.300 -0.011 0.000 0.871 395 R HN 0.345 nan 8.270 nan 0.000 0.435 396 V N 1.777 121.688 119.914 -0.004 0.000 2.317 396 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 396 V C 2.200 178.303 176.094 0.014 0.000 1.065 396 V CA 1.818 64.123 62.300 0.008 0.000 1.049 396 V CB -0.519 31.311 31.823 0.011 0.000 0.651 396 V HN 0.318 nan 8.190 nan 0.000 0.450 397 E N 0.184 120.383 120.200 -0.003 0.000 2.070 397 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 397 E C 2.008 178.557 176.600 -0.085 0.000 1.004 397 E CA 1.982 58.369 56.400 -0.021 0.000 0.805 397 E CB -0.409 29.253 29.700 -0.063 0.000 0.744 397 E HN 0.683 nan 8.360 nan 0.000 0.451 398 D N 0.147 120.487 120.400 -0.100 0.000 2.084 398 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 398 D C 1.868 178.158 176.300 -0.017 0.000 0.990 398 D CA 1.809 55.745 54.000 -0.107 0.000 0.826 398 D CB -0.223 40.537 40.800 -0.067 0.000 0.971 398 D HN 0.189 nan 8.370 nan 0.000 0.453 399 A N 0.765 123.592 122.820 0.012 0.000 1.883 399 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 399 A C 2.096 179.726 177.584 0.076 0.000 1.186 399 A CA 0.913 52.973 52.037 0.038 0.000 0.624 399 A CB -0.852 18.163 19.000 0.025 0.000 0.822 399 A HN 0.304 nan 8.150 nan 0.000 0.444 400 L N -0.867 120.416 121.223 0.100 0.000 2.129 400 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 400 L C 2.144 179.125 176.870 0.185 0.000 1.087 400 L CA 2.433 57.352 54.840 0.133 0.000 0.757 400 L CB -1.103 41.044 42.059 0.147 0.000 0.896 400 L HN 0.532 nan 8.230 nan 0.000 0.434 401 H N -0.963 118.115 119.070 0.013 0.000 2.431 401 H HA 0.152 4.708 4.556 -0.000 0.000 0.295 401 H C 2.152 177.490 175.328 0.016 0.000 1.038 401 H CA 1.095 57.153 56.048 0.016 0.000 1.360 401 H CB -0.139 29.634 29.762 0.019 0.000 1.433 401 H HN 0.349 nan 8.280 nan 0.000 0.536 402 A N 0.420 123.337 122.820 0.161 0.000 1.902 402 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 402 A C 2.470 180.090 177.584 0.060 0.000 1.181 402 A CA 2.245 54.337 52.037 0.091 0.000 0.623 402 A CB -1.072 17.965 19.000 0.062 0.000 0.818 402 A HN 0.590 nan 8.150 nan 0.000 0.443 403 T N -1.714 112.873 114.554 0.054 0.000 2.674 403 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 403 T C 1.909 176.624 174.700 0.024 0.000 1.039 403 T CA 1.161 63.281 62.100 0.033 0.000 1.150 403 T CB -0.476 68.409 68.868 0.029 0.000 0.864 403 T HN 0.417 nan 8.240 nan 0.000 0.427 404 R N 1.566 122.078 120.500 0.020 0.000 2.211 404 R HA 0.032 4.372 4.340 -0.000 0.000 0.240 404 R C 2.705 179.003 176.300 -0.002 0.000 1.144 404 R CA 1.317 57.412 56.100 -0.007 0.000 0.992 404 R CB -0.856 29.414 30.300 -0.051 0.000 0.869 404 R HN 0.640 nan 8.270 nan 0.000 0.462 405 A N 0.822 123.652 122.820 0.016 0.000 1.878 405 A HA 0.111 4.431 4.320 -0.000 0.000 0.213 405 A C 2.391 179.985 177.584 0.016 0.000 1.192 405 A CA 1.039 53.088 52.037 0.020 0.000 0.619 405 A CB -0.461 18.562 19.000 0.039 0.000 0.837 405 A HN 0.289 nan 8.150 nan 0.000 0.446 406 A N -0.130 122.702 122.820 0.019 0.000 1.892 406 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 406 A C 2.225 179.815 177.584 0.010 0.000 1.188 406 A CA 2.147 54.193 52.037 0.015 0.000 0.631 406 A CB -1.179 17.831 19.000 0.016 0.000 0.822 406 A HN 0.441 nan 8.150 nan 0.000 0.447 407 V N 1.066 120.984 119.914 0.007 0.000 2.287 407 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 407 V C 2.579 178.673 176.094 0.001 0.000 1.053 407 V CA 2.474 64.776 62.300 0.003 0.000 1.027 407 V CB -0.972 30.851 31.823 0.001 0.000 0.646 407 V HN 0.938 nan 8.190 nan 0.000 0.447 408 E N -0.173 120.027 120.200 0.001 0.000 2.358 408 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 408 E C 1.681 178.283 176.600 0.002 0.000 1.010 408 E CA 1.309 57.709 56.400 -0.000 0.000 0.856 408 E CB 0.050 29.748 29.700 -0.003 0.000 0.795 408 E HN 0.699 nan 8.360 nan 0.000 0.504 409 E N -0.136 120.067 120.200 0.005 0.000 2.753 409 E HA 0.210 4.560 4.350 -0.000 0.000 0.218 409 E C -0.065 176.538 176.600 0.005 0.000 0.956 409 E CA 0.205 56.608 56.400 0.005 0.000 1.244 409 E CB 1.184 30.887 29.700 0.005 0.000 1.114 409 E HN 0.357 nan 8.360 nan 0.000 0.530 410 G N 0.619 109.423 108.800 0.007 0.000 2.828 410 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.463 410 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.463 410 G C -0.327 174.579 174.900 0.010 0.000 1.394 410 G CA -0.398 44.706 45.100 0.007 0.000 0.862 410 G HN 0.614 nan 8.290 nan 0.000 0.540 411 V N -2.533 117.387 119.914 0.010 0.000 3.102 411 V HA 1.007 5.127 4.120 -0.000 0.000 0.312 411 V C 0.602 176.704 176.094 0.012 0.000 1.135 411 V CA 0.221 62.528 62.300 0.012 0.000 1.022 411 V CB 1.437 33.267 31.823 0.012 0.000 1.056 411 V HN 2.551 nan 8.190 nan 0.000 0.436 412 V N -1.813 118.110 119.914 0.014 0.000 3.202 412 V HA 0.994 5.114 4.120 -0.000 0.000 0.306 412 V C 0.336 176.441 176.094 0.018 0.000 1.283 412 V CA -0.787 61.522 62.300 0.016 0.000 1.065 412 V CB 1.144 32.976 31.823 0.015 0.000 1.079 412 V HN 2.215 nan 8.190 nan 0.000 0.448 413 A N 0.932 123.765 122.820 0.022 0.000 2.522 413 A HA 0.609 4.929 4.320 -0.000 0.000 0.256 413 A C 0.976 178.573 177.584 0.021 0.000 1.086 413 A CA 0.672 52.724 52.037 0.025 0.000 0.763 413 A CB -0.773 18.248 19.000 0.035 0.000 1.024 413 A HN 2.071 nan 8.150 nan 0.000 0.502 414 G N 1.255 110.064 108.800 0.016 0.000 2.529 414 G HA2 0.481 4.441 3.960 -0.000 0.000 0.277 414 G HA3 0.481 4.441 3.960 -0.000 0.000 0.277 414 G C 1.259 176.169 174.900 0.017 0.000 1.383 414 G CA 0.071 45.179 45.100 0.013 0.000 1.050 414 G HN 2.291 nan 8.290 nan 0.000 0.526 415 G N -2.237 106.573 108.800 0.016 0.000 2.168 415 G HA2 0.197 4.157 3.960 -0.000 0.000 0.257 415 G HA3 0.197 4.157 3.960 -0.000 0.000 0.257 415 G C 1.476 176.399 174.900 0.038 0.000 0.997 415 G CA 1.085 46.202 45.100 0.029 0.000 0.708 415 G HN 2.499 nan 8.290 nan 0.000 0.520 416 G N -1.962 106.856 108.800 0.029 0.000 2.283 416 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.280 416 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.280 416 G C 1.622 176.542 174.900 0.032 0.000 1.029 416 G CA 1.703 46.821 45.100 0.029 0.000 0.840 416 G HN 2.134 nan 8.290 nan 0.000 0.505 417 V N -0.992 118.943 119.914 0.035 0.000 2.446 417 V HA 0.293 4.413 4.120 -0.000 0.000 0.244 417 V C 2.844 178.960 176.094 0.037 0.000 1.039 417 V CA 2.112 64.437 62.300 0.041 0.000 1.045 417 V CB -0.462 31.390 31.823 0.048 0.000 0.681 417 V HN 1.375 nan 8.190 nan 0.000 0.459 418 A N 0.335 123.173 122.820 0.031 0.000 1.958 418 A HA -0.218 4.102 4.320 -0.000 0.000 0.221 418 A C 2.142 179.739 177.584 0.022 0.000 1.178 418 A CA 2.509 54.562 52.037 0.026 0.000 0.642 418 A CB -0.814 18.198 19.000 0.021 0.000 0.816 418 A HN 0.562 nan 8.150 nan 0.000 0.453 419 L N -0.153 121.082 121.223 0.021 0.000 2.027 419 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 419 L C 2.362 179.244 176.870 0.019 0.000 1.074 419 L CA 1.286 56.136 54.840 0.017 0.000 0.745 419 L CB -0.607 41.462 42.059 0.015 0.000 0.898 419 L HN 0.367 nan 8.230 nan 0.000 0.433 420 I N -0.798 119.787 120.570 0.025 0.000 2.399 420 I HA -0.292 3.878 4.170 -0.000 0.000 0.254 420 I C 2.407 178.541 176.117 0.027 0.000 1.146 420 I CA 1.079 62.395 61.300 0.027 0.000 1.412 420 I CB -0.743 37.278 38.000 0.035 0.000 1.076 420 I HN 0.343 nan 8.210 nan 0.000 0.432 421 R N 0.264 120.782 120.500 0.029 0.000 2.112 421 R HA -0.008 4.332 4.340 -0.000 0.000 0.216 421 R C 2.286 178.598 176.300 0.021 0.000 1.080 421 R CA 1.046 57.163 56.100 0.030 0.000 0.996 421 R CB -0.920 29.400 30.300 0.035 0.000 0.902 421 R HN 0.430 nan 8.270 nan 0.000 0.449 422 V N -0.363 119.561 119.914 0.017 0.000 2.548 422 V HA 0.037 4.157 4.120 -0.000 0.000 0.249 422 V C 2.148 178.248 176.094 0.010 0.000 1.055 422 V CA 1.680 63.986 62.300 0.011 0.000 1.065 422 V CB -0.625 31.202 31.823 0.007 0.000 0.681 422 V HN 0.149 nan 8.190 nan 0.000 0.462 423 A N 1.687 124.514 122.820 0.011 0.000 1.917 423 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 423 A C 2.553 180.142 177.584 0.010 0.000 1.182 423 A CA 3.016 55.059 52.037 0.010 0.000 0.633 423 A CB -1.164 17.843 19.000 0.011 0.000 0.819 423 A HN 0.976 nan 8.150 nan 0.000 0.448 424 S N -0.436 115.271 115.700 0.013 0.000 2.406 424 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 424 S C 1.759 176.364 174.600 0.008 0.000 1.020 424 S CA 1.263 59.469 58.200 0.011 0.000 0.965 424 S CB -0.235 62.973 63.200 0.013 0.000 0.798 424 S HN 0.551 nan 8.310 nan 0.000 0.488 425 K N 1.219 121.624 120.400 0.009 0.000 2.152 425 K HA 0.111 4.431 4.320 -0.000 0.000 0.206 425 K C 1.258 177.861 176.600 0.005 0.000 1.048 425 K CA 1.041 57.332 56.287 0.007 0.000 0.933 425 K CB -0.369 32.135 32.500 0.007 0.000 0.721 425 K HN 0.403 nan 8.250 nan 0.000 0.447 426 L N -0.262 120.964 121.223 0.005 0.000 2.685 426 L HA 0.211 4.551 4.340 -0.000 0.000 0.233 426 L C 1.603 178.475 176.870 0.003 0.000 1.173 426 L CA -0.281 54.561 54.840 0.003 0.000 0.961 426 L CB 0.019 42.079 42.059 0.002 0.000 1.217 426 L HN 0.096 nan 8.230 nan 0.000 0.478 427 A N -0.176 122.646 122.820 0.004 0.000 2.076 427 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 427 A C 1.463 179.048 177.584 0.002 0.000 1.160 427 A CA 1.499 53.538 52.037 0.003 0.000 0.653 427 A CB -0.181 18.821 19.000 0.003 0.000 0.801 427 A HN 0.339 nan 8.150 nan 0.000 0.455 428 D N -1.033 119.369 120.400 0.002 0.000 2.424 428 D HA 0.198 4.838 4.640 -0.000 0.000 0.220 428 D C -0.326 175.974 176.300 0.001 0.000 1.150 428 D CA -0.228 53.773 54.000 0.001 0.000 0.831 428 D CB 0.195 40.995 40.800 0.001 0.000 0.981 428 D HN 0.266 nan 8.370 nan 0.000 0.500 429 L N 1.740 122.964 121.223 0.001 0.000 2.360 429 L HA 0.218 4.558 4.340 -0.000 0.000 0.276 429 L C 0.286 177.157 176.870 0.001 0.000 1.121 429 L CA 0.279 55.120 54.840 0.001 0.000 0.845 429 L CB 0.172 42.232 42.059 0.001 0.000 1.143 429 L HN -0.204 nan 8.230 nan 0.000 0.452 430 R N 2.696 123.197 120.500 0.001 0.000 2.939 430 R HA 0.705 5.045 4.340 -0.000 0.000 0.254 430 R C -0.141 176.160 176.300 0.001 0.000 1.123 430 R CA -0.522 55.579 56.100 0.001 0.000 1.020 430 R CB 1.406 31.706 30.300 0.001 0.000 1.206 430 R HN 0.796 nan 8.270 nan 0.000 0.491 431 G N -0.301 108.500 108.800 0.002 0.000 2.702 431 G HA2 0.163 4.123 3.960 -0.000 0.000 0.254 431 G HA3 0.163 4.123 3.960 -0.000 0.000 0.254 431 G C 0.009 174.910 174.900 0.002 0.000 1.380 431 G CA -0.292 44.809 45.100 0.002 0.000 1.042 431 G HN 0.457 nan 8.290 nan 0.000 0.557 432 Q N 0.041 119.842 119.800 0.002 0.000 2.360 432 Q HA 0.182 4.522 4.340 -0.000 0.000 0.202 432 Q C 0.332 176.333 176.000 0.002 0.000 0.915 432 Q CA 0.175 55.979 55.803 0.002 0.000 0.943 432 Q CB 0.131 28.870 28.738 0.002 0.000 1.064 432 Q HN 0.587 nan 8.270 nan 0.000 0.511 433 N N -1.561 117.140 118.700 0.002 0.000 3.356 433 N HA -0.042 4.698 4.740 -0.000 0.000 0.246 433 N C 0.035 175.546 175.510 0.002 0.000 1.480 433 N CA -0.324 52.727 53.050 0.002 0.000 0.877 433 N CB 0.848 39.337 38.487 0.002 0.000 1.431 433 N HN -0.154 nan 8.380 nan 0.000 0.500 434 E N 0.218 120.419 120.200 0.002 0.000 2.072 434 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 434 E C 0.594 177.196 176.600 0.002 0.000 0.985 434 E CA 1.823 58.224 56.400 0.002 0.000 0.801 434 E CB -0.326 29.374 29.700 0.001 0.000 0.750 434 E HN 0.525 nan 8.360 nan 0.000 0.452 435 D N 0.311 120.712 120.400 0.002 0.000 2.158 435 D HA -0.188 4.451 4.640 -0.000 0.000 0.197 435 D C 1.878 178.180 176.300 0.003 0.000 0.995 435 D CA 1.083 55.085 54.000 0.003 0.000 0.846 435 D CB -0.245 40.557 40.800 0.003 0.000 0.941 435 D HN 0.387 nan 8.370 nan 0.000 0.456 436 Q N -0.042 119.760 119.800 0.003 0.000 2.170 436 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 436 Q C 1.761 177.763 176.000 0.003 0.000 0.976 436 Q CA 0.758 56.563 55.803 0.004 0.000 0.858 436 Q CB 0.001 28.741 28.738 0.003 0.000 0.907 436 Q HN 0.259 nan 8.270 nan 0.000 0.433 437 N N -0.045 118.657 118.700 0.003 0.000 2.106 437 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 437 N C 1.814 177.326 175.510 0.003 0.000 1.029 437 N CA 0.978 54.029 53.050 0.002 0.000 0.848 437 N CB -0.367 38.121 38.487 0.002 0.000 1.007 437 N HN 0.029 nan 8.380 nan 0.000 0.423 438 V N 0.821 120.736 119.914 0.003 0.000 2.490 438 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 438 V C 2.353 178.449 176.094 0.004 0.000 1.061 438 V CA 1.896 64.198 62.300 0.003 0.000 1.064 438 V CB -1.245 30.580 31.823 0.003 0.000 0.670 438 V HN 0.358 nan 8.190 nan 0.000 0.461 439 G N -0.151 108.651 108.800 0.004 0.000 2.422 439 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 439 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 439 G C 1.558 176.461 174.900 0.005 0.000 1.146 439 G CA 0.993 46.096 45.100 0.005 0.000 0.769 439 G HN 0.496 nan 8.290 nan 0.000 0.547 440 I N -0.145 120.427 120.570 0.004 0.000 2.193 440 I HA -0.064 4.106 4.170 -0.000 0.000 0.240 440 I C 2.764 178.883 176.117 0.004 0.000 1.084 440 I CA 1.036 62.338 61.300 0.003 0.000 1.365 440 I CB -0.110 37.892 38.000 0.003 0.000 1.064 440 I HN -0.006 nan 8.210 nan 0.000 0.410 441 K N 0.667 121.069 120.400 0.003 0.000 2.074 441 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 441 K C 1.935 178.538 176.600 0.004 0.000 1.048 441 K CA 1.139 57.428 56.287 0.004 0.000 0.926 441 K CB -0.682 31.819 32.500 0.003 0.000 0.713 441 K HN 0.089 nan 8.250 nan 0.000 0.444 442 V N 0.624 120.541 119.914 0.005 0.000 2.252 442 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 442 V C 2.196 178.294 176.094 0.006 0.000 1.056 442 V CA 2.238 64.542 62.300 0.006 0.000 1.022 442 V CB -0.836 30.990 31.823 0.006 0.000 0.641 442 V HN 0.454 nan 8.190 nan 0.000 0.445 443 A N -0.309 122.515 122.820 0.006 0.000 1.858 443 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 443 A C 2.170 179.757 177.584 0.006 0.000 1.190 443 A CA 2.066 54.106 52.037 0.006 0.000 0.617 443 A CB -0.653 18.350 19.000 0.004 0.000 0.827 443 A HN 0.512 nan 8.150 nan 0.000 0.443 444 L N -1.157 120.069 121.223 0.005 0.000 1.997 444 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 444 L C 2.777 179.651 176.870 0.007 0.000 1.074 444 L CA 2.161 57.005 54.840 0.006 0.000 0.763 444 L CB -0.641 41.421 42.059 0.005 0.000 0.890 444 L HN 0.376 nan 8.230 nan 0.000 0.434 445 R N -0.063 120.441 120.500 0.006 0.000 2.139 445 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 445 R C 2.203 178.507 176.300 0.007 0.000 1.145 445 R CA 1.394 57.497 56.100 0.006 0.000 0.976 445 R CB -0.236 30.067 30.300 0.005 0.000 0.866 445 R HN 0.444 nan 8.270 nan 0.000 0.449 446 A N -0.434 122.391 122.820 0.008 0.000 2.123 446 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 446 A C 1.881 179.471 177.584 0.010 0.000 1.152 446 A CA 0.471 52.513 52.037 0.009 0.000 0.728 446 A CB -0.157 18.849 19.000 0.010 0.000 0.814 446 A HN 0.277 nan 8.150 nan 0.000 0.464 447 M N -0.400 119.206 119.600 0.010 0.000 2.460 447 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 447 M C 1.312 177.619 176.300 0.013 0.000 1.071 447 M CA 1.017 56.324 55.300 0.011 0.000 1.096 447 M CB -0.080 32.526 32.600 0.009 0.000 1.408 447 M HN 0.444 nan 8.290 nan 0.000 0.463 448 E N -0.427 119.780 120.200 0.012 0.000 2.502 448 E HA 0.008 4.357 4.350 -0.000 0.000 0.194 448 E C 1.837 178.444 176.600 0.012 0.000 1.062 448 E CA 0.358 56.766 56.400 0.013 0.000 0.867 448 E CB 0.115 29.820 29.700 0.009 0.000 0.888 448 E HN 0.490 nan 8.360 nan 0.000 0.510 449 A N 2.241 125.068 122.820 0.012 0.000 1.898 449 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 449 A C -0.373 177.219 177.584 0.014 0.000 1.181 449 A CA 0.823 52.867 52.037 0.012 0.000 0.620 449 A CB -1.149 17.858 19.000 0.012 0.000 0.819 449 A HN 0.124 nan 8.150 nan 0.000 0.442 450 P HA -0.171 nan 4.420 nan 0.000 0.214 450 P C 1.812 179.125 177.300 0.023 0.000 1.163 450 P CA 0.740 63.852 63.100 0.020 0.000 0.883 450 P CB -0.180 31.533 31.700 0.022 0.000 0.788 451 L N 0.094 121.332 121.223 0.025 0.000 2.081 451 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 451 L C 2.107 178.988 176.870 0.018 0.000 1.080 451 L CA 2.118 56.977 54.840 0.031 0.000 0.754 451 L CB -0.859 41.220 42.059 0.033 0.000 0.893 451 L HN -0.016 nan 8.230 nan 0.000 0.433 452 R N -1.018 119.487 120.500 0.008 0.000 2.096 452 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 452 R C 2.237 178.537 176.300 -0.000 0.000 1.127 452 R CA 1.187 57.286 56.100 -0.002 0.000 0.968 452 R CB -0.173 30.125 30.300 -0.002 0.000 0.861 452 R HN 0.474 nan 8.270 nan 0.000 0.440 453 Q N 0.583 120.388 119.800 0.008 0.000 2.096 453 Q HA 0.015 4.355 4.340 -0.000 0.000 0.197 453 Q C 2.242 178.252 176.000 0.015 0.000 0.964 453 Q CA 1.050 56.859 55.803 0.010 0.000 0.838 453 Q CB -0.003 28.742 28.738 0.012 0.000 0.906 453 Q HN 0.362 nan 8.270 nan 0.000 0.444 454 I N 0.178 120.763 120.570 0.024 0.000 2.151 454 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 454 I C 2.255 178.401 176.117 0.048 0.000 1.080 454 I CA 1.074 62.397 61.300 0.038 0.000 1.339 454 I CB -0.335 37.696 38.000 0.051 0.000 1.039 454 I HN -0.015 nan 8.210 nan 0.000 0.409 455 V N 0.479 120.415 119.914 0.035 0.000 2.490 455 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 455 V C 2.237 178.331 176.094 0.000 0.000 1.061 455 V CA 1.537 63.843 62.300 0.009 0.000 1.064 455 V CB -0.330 31.444 31.823 -0.082 0.000 0.670 455 V HN 0.374 nan 8.190 nan 0.000 0.461 456 L N 0.126 121.349 121.223 0.000 0.000 2.131 456 L HA -0.023 4.317 4.340 -0.000 0.000 0.206 456 L C 1.981 178.854 176.870 0.004 0.000 1.087 456 L CA 1.792 56.630 54.840 -0.003 0.000 0.767 456 L CB -0.698 41.359 42.059 -0.003 0.000 0.917 456 L HN 0.335 nan 8.230 nan 0.000 0.441 457 N N -1.496 117.210 118.700 0.010 0.000 2.364 457 N HA -0.188 4.552 4.740 -0.000 0.000 0.183 457 N C 1.459 176.978 175.510 0.015 0.000 1.022 457 N CA 1.221 54.278 53.050 0.012 0.000 0.883 457 N CB -0.211 38.284 38.487 0.013 0.000 0.965 457 N HN 0.422 nan 8.380 nan 0.000 0.438 458 C N 0.097 119.412 119.300 0.025 0.000 2.539 458 C HA 0.193 4.652 4.460 -0.000 0.000 0.271 458 C C 1.723 176.724 174.990 0.018 0.000 1.412 458 C CA 0.157 59.192 59.018 0.029 0.000 1.729 458 C CB -1.208 26.567 27.740 0.060 0.000 1.739 458 C HN 0.650 nan 8.230 nan 0.000 0.570 459 G N 1.152 109.958 108.800 0.010 0.000 2.147 459 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 459 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 459 G C -0.307 174.594 174.900 0.001 0.000 1.005 459 G CA 0.192 45.295 45.100 0.005 0.000 0.713 459 G HN 0.630 nan 8.290 nan 0.000 0.515 460 E N -0.182 120.015 120.200 -0.005 0.000 2.299 460 E HA 0.450 4.800 4.350 -0.000 0.000 0.260 460 E C -0.279 176.295 176.600 -0.043 0.000 0.944 460 E CA -0.931 55.455 56.400 -0.024 0.000 0.815 460 E CB 1.073 30.753 29.700 -0.032 0.000 1.252 460 E HN 0.339 nan 8.360 nan 0.000 0.418 461 E N 2.080 122.249 120.200 -0.051 0.000 2.129 461 E HA 0.073 4.423 4.350 -0.000 0.000 0.283 461 E C -1.989 174.574 176.600 -0.061 0.000 1.080 461 E CA -1.521 54.854 56.400 -0.043 0.000 0.867 461 E CB 0.893 30.575 29.700 -0.031 0.000 1.056 461 E HN 0.264 nan 8.360 nan 0.000 0.404 462 P HA -0.169 nan 4.420 nan 0.000 0.213 462 P C 1.564 178.835 177.300 -0.049 0.000 1.169 462 P CA 1.074 64.141 63.100 -0.056 0.000 0.885 462 P CB 0.075 31.755 31.700 -0.032 0.000 0.779 463 S N 0.006 115.688 115.700 -0.031 0.000 2.406 463 S HA -0.245 4.225 4.470 -0.000 0.000 0.242 463 S C 2.057 176.640 174.600 -0.029 0.000 1.079 463 S CA 2.229 60.415 58.200 -0.024 0.000 1.133 463 S CB -2.150 61.040 63.200 -0.016 0.000 1.005 463 S HN -0.036 nan 8.310 nan 0.000 0.443 464 V N 1.512 121.405 119.914 -0.035 0.000 2.295 464 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 464 V C 2.643 178.717 176.094 -0.033 0.000 1.049 464 V CA 1.699 63.982 62.300 -0.029 0.000 1.024 464 V CB -0.809 31.003 31.823 -0.020 0.000 0.648 464 V HN 0.474 nan 8.190 nan 0.000 0.447 465 V N 0.187 120.054 119.914 -0.078 0.000 2.261 465 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 465 V C 2.712 178.787 176.094 -0.031 0.000 1.047 465 V CA 2.229 64.470 62.300 -0.099 0.000 1.015 465 V CB -1.132 30.474 31.823 -0.362 0.000 0.642 465 V HN 0.567 nan 8.190 nan 0.000 0.446 466 A N 0.151 122.948 122.820 -0.038 0.000 1.865 466 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 466 A C 2.032 179.613 177.584 -0.006 0.000 1.191 466 A CA 2.275 54.306 52.037 -0.010 0.000 0.623 466 A CB -0.915 18.079 19.000 -0.009 0.000 0.826 466 A HN 0.591 nan 8.150 nan 0.000 0.444 467 N N -0.202 118.490 118.700 -0.013 0.000 2.036 467 N HA -0.206 4.534 4.740 -0.000 0.000 0.199 467 N C 2.000 177.499 175.510 -0.019 0.000 1.036 467 N CA 2.741 55.783 53.050 -0.013 0.000 0.870 467 N CB -0.956 37.521 38.487 -0.017 0.000 1.055 467 N HN 0.726 nan 8.380 nan 0.000 0.436 468 T N -1.783 112.743 114.554 -0.047 0.000 2.904 468 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 468 T C 1.964 176.634 174.700 -0.050 0.000 1.059 468 T CA 0.966 63.004 62.100 -0.104 0.000 1.137 468 T CB -0.570 68.138 68.868 -0.267 0.000 0.879 468 T HN -0.024 nan 8.240 nan 0.000 0.467 469 V N 1.527 121.433 119.914 -0.014 0.000 2.626 469 V HA -0.049 4.071 4.120 -0.000 0.000 0.252 469 V C 2.659 178.819 176.094 0.110 0.000 1.067 469 V CA 1.650 63.981 62.300 0.052 0.000 1.081 469 V CB -0.522 31.330 31.823 0.049 0.000 0.686 469 V HN 0.550 nan 8.190 nan 0.000 0.468 470 K N 0.184 120.619 120.400 0.059 0.000 2.305 470 K HA 0.041 4.361 4.320 -0.000 0.000 0.199 470 K C 2.213 178.842 176.600 0.047 0.000 1.047 470 K CA 0.882 57.199 56.287 0.051 0.000 0.976 470 K CB -0.337 32.179 32.500 0.027 0.000 0.765 470 K HN 0.528 nan 8.250 nan 0.000 0.474 471 G N 1.577 110.402 108.800 0.041 0.000 2.450 471 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 471 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 471 G C 0.832 175.733 174.900 0.001 0.000 1.130 471 G CA 0.858 45.967 45.100 0.014 0.000 0.760 471 G HN 0.373 nan 8.290 nan 0.000 0.557 472 G N -1.002 107.839 108.800 0.070 0.000 2.510 472 G HA2 0.492 4.452 3.960 -0.000 0.000 0.280 472 G HA3 0.492 4.452 3.960 -0.000 0.000 0.280 472 G C -0.914 174.001 174.900 0.025 0.000 1.386 472 G CA -0.367 44.714 45.100 -0.032 0.000 1.047 472 G HN 0.154 nan 8.290 nan 0.000 0.527 473 D N -2.264 118.139 120.400 0.006 0.000 2.566 473 D HA 0.507 5.147 4.640 -0.000 0.000 0.254 473 D C 1.084 177.429 176.300 0.075 0.000 1.090 473 D CA 0.506 54.527 54.000 0.034 0.000 1.034 473 D CB 1.395 42.188 40.800 -0.010 0.000 1.434 473 D HN 0.763 nan 8.370 nan 0.000 0.509 474 G N 1.156 109.990 108.800 0.056 0.000 2.702 474 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.342 474 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.342 474 G C 0.327 175.280 174.900 0.087 0.000 1.258 474 G CA 0.790 45.925 45.100 0.058 0.000 0.990 474 G HN 0.648 nan 8.290 nan 0.000 0.548 475 N N -0.010 118.748 118.700 0.097 0.000 2.376 475 N HA 0.323 5.063 4.740 -0.000 0.000 0.249 475 N C -0.452 175.154 175.510 0.160 0.000 1.140 475 N CA -0.286 52.825 53.050 0.103 0.000 0.870 475 N CB 0.310 38.841 38.487 0.074 0.000 1.124 475 N HN 0.444 nan 8.380 nan 0.000 0.505 476 Y N 1.077 121.403 120.300 0.043 0.000 2.359 476 Y HA 0.500 5.050 4.550 -0.000 0.000 0.334 476 Y C 0.502 176.460 175.900 0.096 0.000 1.058 476 Y CA -0.220 57.918 58.100 0.064 0.000 1.244 476 Y CB 0.506 38.994 38.460 0.047 0.000 1.187 476 Y HN 0.025 nan 8.280 nan 0.000 0.510 477 G N 4.000 112.680 108.800 -0.201 0.000 2.870 477 G HA2 0.297 4.257 3.960 -0.000 0.000 0.299 477 G HA3 0.297 4.257 3.960 -0.000 0.000 0.299 477 G C -2.468 172.386 174.900 -0.078 0.000 1.324 477 G CA -0.844 44.172 45.100 -0.140 0.000 0.808 477 G HN 0.526 nan 8.290 nan 0.000 0.535 478 Y N 1.252 121.489 120.300 -0.104 0.000 2.335 478 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 478 Y C -0.440 175.358 175.900 -0.171 0.000 0.977 478 Y CA -1.608 56.384 58.100 -0.181 0.000 1.114 478 Y CB 1.821 40.192 38.460 -0.148 0.000 1.182 478 Y HN 0.425 nan 8.280 nan 0.000 0.463 479 N N 4.790 123.025 118.700 -0.776 0.000 2.527 479 N HA 0.251 4.991 4.740 -0.000 0.000 0.236 479 N C 0.382 175.347 175.510 -0.908 0.000 0.999 479 N CA 0.472 53.173 53.050 -0.581 0.000 0.935 479 N CB 1.311 39.580 38.487 -0.364 0.000 1.132 479 N HN 0.894 nan 8.380 nan 0.000 0.511 480 A N 3.740 126.191 122.820 -0.614 0.000 1.978 480 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 480 A C 2.053 179.503 177.584 -0.223 0.000 1.170 480 A CA 1.824 53.661 52.037 -0.334 0.000 0.636 480 A CB -0.612 18.381 19.000 -0.012 0.000 0.810 480 A HN 0.712 nan 8.150 nan 0.000 0.448 481 A N -0.415 122.287 122.820 -0.197 0.000 1.858 481 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 481 A C 2.421 179.918 177.584 -0.145 0.000 1.190 481 A CA 2.499 54.459 52.037 -0.129 0.000 0.617 481 A CB -1.204 17.735 19.000 -0.101 0.000 0.827 481 A HN 0.835 nan 8.150 nan 0.000 0.443 482 T N -4.051 110.385 114.554 -0.198 0.000 3.081 482 T HA 0.220 4.570 4.350 -0.000 0.000 0.250 482 T C 0.394 174.971 174.700 -0.205 0.000 1.100 482 T CA 0.918 62.917 62.100 -0.167 0.000 1.038 482 T CB -0.209 68.571 68.868 -0.147 0.000 0.962 482 T HN 0.555 nan 8.240 nan 0.000 0.516 483 E N 1.269 121.260 120.200 -0.349 0.000 2.553 483 E HA -0.155 4.195 4.350 -0.000 0.000 0.264 483 E C -0.271 176.145 176.600 -0.307 0.000 1.068 483 E CA 0.848 57.056 56.400 -0.320 0.000 0.774 483 E CB -1.295 28.360 29.700 -0.076 0.000 1.349 483 E HN 0.970 nan 8.360 nan 0.000 0.404 484 E N -1.171 118.755 120.200 -0.456 0.000 2.408 484 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 484 E C -0.729 175.641 176.600 -0.383 0.000 0.935 484 E CA -0.985 55.228 56.400 -0.312 0.000 0.775 484 E CB 0.920 30.568 29.700 -0.086 0.000 1.277 484 E HN 0.041 nan 8.360 nan 0.000 0.455 485 Y N 0.085 120.388 120.300 0.005 0.000 2.298 485 Y HA 0.642 5.192 4.550 -0.000 0.000 0.329 485 Y C 1.121 177.008 175.900 -0.022 0.000 1.293 485 Y CA 0.954 59.014 58.100 -0.067 0.000 1.388 485 Y CB 1.599 40.025 38.460 -0.057 0.000 1.309 485 Y HN 0.850 nan 8.280 nan 0.000 0.544 486 G N 0.356 109.219 108.800 0.104 0.000 2.317 486 G HA2 0.024 3.984 3.960 -0.000 0.000 0.293 486 G HA3 0.024 3.984 3.960 -0.000 0.000 0.293 486 G C -2.035 172.970 174.900 0.176 0.000 1.287 486 G CA -1.190 44.021 45.100 0.185 0.000 0.850 486 G HN 0.568 nan 8.290 nan 0.000 0.515 487 N N 0.933 119.728 118.700 0.157 0.000 2.408 487 N HA 0.135 4.875 4.740 -0.000 0.000 0.257 487 N C 1.745 177.295 175.510 0.066 0.000 1.064 487 N CA -0.551 52.579 53.050 0.134 0.000 0.952 487 N CB 0.882 39.435 38.487 0.110 0.000 1.093 487 N HN 0.404 nan 8.380 nan 0.000 0.490 488 M N 3.456 123.086 119.600 0.051 0.000 2.106 488 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 488 M C 1.600 177.911 176.300 0.018 0.000 1.068 488 M CA 1.216 56.527 55.300 0.019 0.000 1.100 488 M CB -0.697 31.913 32.600 0.016 0.000 1.351 488 M HN 0.537 nan 8.290 nan 0.000 0.404 489 I N 0.435 121.021 120.570 0.028 0.000 2.286 489 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 489 I C 1.817 177.945 176.117 0.017 0.000 1.115 489 I CA 1.345 62.657 61.300 0.021 0.000 1.392 489 I CB -1.526 36.489 38.000 0.024 0.000 1.065 489 I HN 0.244 nan 8.210 nan 0.000 0.418 490 D N 0.741 121.155 120.400 0.023 0.000 2.178 490 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 490 D C 2.087 178.393 176.300 0.009 0.000 0.974 490 D CA 0.997 55.008 54.000 0.019 0.000 0.841 490 D CB -0.029 40.788 40.800 0.028 0.000 0.953 490 D HN 0.369 nan 8.370 nan 0.000 0.478 491 M N -0.923 118.679 119.600 0.004 0.000 2.494 491 M HA 0.235 4.715 4.480 -0.000 0.000 0.232 491 M C 1.044 177.336 176.300 -0.014 0.000 1.137 491 M CA 0.295 55.588 55.300 -0.012 0.000 1.012 491 M CB 0.582 33.165 32.600 -0.028 0.000 1.567 491 M HN -0.038 nan 8.290 nan 0.000 0.486 492 G N 2.350 111.146 108.800 -0.006 0.000 2.179 492 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 492 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 492 G C 0.059 174.954 174.900 -0.009 0.000 1.010 492 G CA -0.119 44.978 45.100 -0.006 0.000 0.736 492 G HN 0.587 nan 8.290 nan 0.000 0.513 493 I N 1.541 122.104 120.570 -0.012 0.000 2.257 493 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 493 I C 0.720 176.836 176.117 -0.002 0.000 1.137 493 I CA -0.374 60.918 61.300 -0.013 0.000 1.255 493 I CB 0.078 38.063 38.000 -0.025 0.000 1.485 493 I HN 0.024 nan 8.210 nan 0.000 0.534 494 L N 3.912 125.137 121.223 0.002 0.000 2.325 494 L HA 0.521 4.861 4.340 -0.000 0.000 0.279 494 L C -0.317 176.559 176.870 0.010 0.000 1.054 494 L CA -0.747 54.098 54.840 0.008 0.000 0.804 494 L CB 0.991 43.055 42.059 0.009 0.000 1.200 494 L HN 0.327 nan 8.230 nan 0.000 0.436 495 D N 1.982 122.390 120.400 0.013 0.000 2.198 495 D HA 0.387 5.027 4.640 -0.000 0.000 0.247 495 D C -2.506 173.804 176.300 0.017 0.000 1.010 495 D CA -1.509 52.501 54.000 0.016 0.000 0.880 495 D CB 1.952 42.763 40.800 0.017 0.000 1.209 495 D HN 0.214 nan 8.370 nan 0.000 0.451 496 P HA 0.111 nan 4.420 nan 0.000 0.276 496 P C 0.754 178.065 177.300 0.018 0.000 1.243 496 P CA -0.184 62.928 63.100 0.020 0.000 0.768 496 P CB 0.631 32.347 31.700 0.027 0.000 0.856 497 T N 2.810 117.372 114.554 0.013 0.000 2.592 497 T HA -0.309 4.041 4.350 -0.000 0.000 0.267 497 T C 1.625 176.328 174.700 0.006 0.000 1.060 497 T CA 1.831 63.935 62.100 0.008 0.000 1.167 497 T CB -0.675 68.195 68.868 0.004 0.000 0.863 497 T HN 0.464 nan 8.240 nan 0.000 0.431 498 K N 0.845 121.251 120.400 0.009 0.000 2.077 498 K HA -0.217 4.103 4.320 -0.000 0.000 0.213 498 K C 2.438 179.050 176.600 0.019 0.000 1.051 498 K CA 2.134 58.428 56.287 0.011 0.000 0.929 498 K CB -0.640 31.872 32.500 0.021 0.000 0.715 498 K HN 0.345 nan 8.250 nan 0.000 0.451 499 V N 0.018 119.950 119.914 0.031 0.000 2.295 499 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 499 V C 1.786 177.895 176.094 0.025 0.000 1.049 499 V CA 2.564 64.889 62.300 0.041 0.000 1.024 499 V CB -0.889 30.965 31.823 0.052 0.000 0.648 499 V HN 0.469 nan 8.190 nan 0.000 0.447 500 T N 0.533 115.096 114.554 0.014 0.000 2.720 500 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 500 T C 2.060 176.754 174.700 -0.011 0.000 1.037 500 T CA 1.957 64.061 62.100 0.007 0.000 1.144 500 T CB -0.472 68.401 68.868 0.007 0.000 0.864 500 T HN 0.499 nan 8.240 nan 0.000 0.444 501 R N 0.914 121.400 120.500 -0.025 0.000 2.080 501 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 501 R C 2.629 178.859 176.300 -0.116 0.000 1.137 501 R CA 1.827 57.892 56.100 -0.059 0.000 0.943 501 R CB -0.720 29.547 30.300 -0.054 0.000 0.846 501 R HN 0.290 nan 8.270 nan 0.000 0.431 502 S N 0.276 115.912 115.700 -0.107 0.000 2.368 502 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 502 S C 1.970 176.480 174.600 -0.150 0.000 1.029 502 S CA 1.049 59.123 58.200 -0.210 0.000 0.988 502 S CB -0.224 62.981 63.200 0.008 0.000 0.838 502 S HN 0.555 nan 8.310 nan 0.000 0.462 503 A N 1.996 124.825 122.820 0.015 0.000 1.869 503 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 503 A C 2.119 179.712 177.584 0.016 0.000 1.203 503 A CA 1.580 53.655 52.037 0.063 0.000 0.638 503 A CB -1.039 17.991 19.000 0.048 0.000 0.831 503 A HN 0.468 nan 8.150 nan 0.000 0.450 504 L N -0.662 120.542 121.223 -0.031 0.000 1.994 504 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 504 L C 2.765 179.591 176.870 -0.073 0.000 1.071 504 L CA 2.462 57.280 54.840 -0.036 0.000 0.745 504 L CB -0.895 41.142 42.059 -0.036 0.000 0.892 504 L HN 0.576 nan 8.230 nan 0.000 0.431 505 Q N -1.205 118.482 119.800 -0.188 0.000 2.061 505 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 505 Q C 2.050 177.953 176.000 -0.162 0.000 0.984 505 Q CA 1.989 57.651 55.803 -0.234 0.000 0.846 505 Q CB -0.256 28.255 28.738 -0.379 0.000 0.902 505 Q HN 0.494 nan 8.270 nan 0.000 0.421 506 Y N 0.046 120.354 120.300 0.013 0.000 2.181 506 Y HA -0.157 4.392 4.550 -0.000 0.000 0.288 506 Y C 2.389 178.296 175.900 0.012 0.000 1.146 506 Y CA 0.772 58.880 58.100 0.013 0.000 1.164 506 Y CB -1.011 37.458 38.460 0.014 0.000 0.982 506 Y HN 0.130 nan 8.280 nan 0.000 0.515 507 A N 0.160 123.076 122.820 0.160 0.000 1.902 507 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 507 A C 2.521 180.146 177.584 0.068 0.000 1.181 507 A CA 2.000 54.094 52.037 0.095 0.000 0.623 507 A CB -1.232 17.805 19.000 0.062 0.000 0.818 507 A HN 0.390 nan 8.150 nan 0.000 0.443 508 A N -0.747 122.101 122.820 0.048 0.000 1.858 508 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 508 A C 2.488 180.098 177.584 0.042 0.000 1.190 508 A CA 2.303 54.358 52.037 0.031 0.000 0.617 508 A CB -1.182 17.824 19.000 0.011 0.000 0.827 508 A HN 0.592 nan 8.150 nan 0.000 0.443 509 S N -0.648 115.088 115.700 0.061 0.000 2.365 509 S HA -0.182 4.288 4.470 -0.000 0.000 0.221 509 S C 1.951 176.589 174.600 0.063 0.000 1.037 509 S CA 2.083 60.325 58.200 0.070 0.000 1.060 509 S CB -0.726 62.542 63.200 0.114 0.000 0.974 509 S HN 0.342 nan 8.310 nan 0.000 0.427 510 V N 2.226 122.184 119.914 0.073 0.000 2.233 510 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 510 V C 2.869 178.987 176.094 0.040 0.000 1.050 510 V CA 2.102 64.432 62.300 0.051 0.000 1.010 510 V CB -1.444 30.407 31.823 0.047 0.000 0.637 510 V HN 0.661 nan 8.190 nan 0.000 0.444 511 A N 0.210 123.054 122.820 0.039 0.000 2.015 511 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 511 A C 2.356 179.955 177.584 0.025 0.000 1.163 511 A CA 1.605 53.659 52.037 0.029 0.000 0.646 511 A CB -1.076 17.940 19.000 0.027 0.000 0.806 511 A HN 0.552 nan 8.150 nan 0.000 0.448 512 G N 0.268 109.084 108.800 0.027 0.000 2.459 512 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 512 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 512 G C 1.535 176.447 174.900 0.021 0.000 1.183 512 G CA 1.127 46.241 45.100 0.022 0.000 0.776 512 G HN 0.433 nan 8.290 nan 0.000 0.552 513 L N -0.450 120.788 121.223 0.024 0.000 2.042 513 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 513 L C 2.927 179.809 176.870 0.020 0.000 1.076 513 L CA 1.480 56.333 54.840 0.022 0.000 0.749 513 L CB -0.217 41.856 42.059 0.024 0.000 0.893 513 L HN 0.290 nan 8.230 nan 0.000 0.432 514 M N -0.157 119.455 119.600 0.020 0.000 2.394 514 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 514 M C 1.895 178.203 176.300 0.015 0.000 1.073 514 M CA 1.262 56.573 55.300 0.018 0.000 1.111 514 M CB 0.096 32.708 32.600 0.020 0.000 1.401 514 M HN 0.290 nan 8.290 nan 0.000 0.448 515 I N -2.715 117.864 120.570 0.015 0.000 3.428 515 I HA 0.043 4.213 4.170 -0.000 0.000 0.286 515 I C 1.243 177.368 176.117 0.012 0.000 1.287 515 I CA 0.727 62.034 61.300 0.012 0.000 1.396 515 I CB -0.785 37.222 38.000 0.012 0.000 1.062 515 I HN 0.170 nan 8.210 nan 0.000 0.471 516 T N -2.565 111.998 114.554 0.014 0.000 3.186 516 T HA 0.198 4.547 4.350 -0.000 0.000 0.257 516 T C 0.657 175.368 174.700 0.018 0.000 1.029 516 T CA -0.271 61.838 62.100 0.016 0.000 0.916 516 T CB -0.748 68.130 68.868 0.017 0.000 1.041 516 T HN 0.146 nan 8.240 nan 0.000 0.562 517 T N 2.646 117.209 114.554 0.015 0.000 2.851 517 T HA 0.257 4.607 4.350 -0.000 0.000 0.298 517 T C 0.764 175.475 174.700 0.018 0.000 0.977 517 T CA -0.016 62.093 62.100 0.014 0.000 1.126 517 T CB 1.207 70.078 68.868 0.005 0.000 0.916 517 T HN 0.439 nan 8.240 nan 0.000 0.529 518 E N 1.136 121.356 120.200 0.033 0.000 2.606 518 E HA 0.235 4.585 4.350 -0.000 0.000 0.224 518 E C -0.353 176.305 176.600 0.097 0.000 0.930 518 E CA -0.191 56.247 56.400 0.064 0.000 1.125 518 E CB 0.522 30.270 29.700 0.079 0.000 1.123 518 E HN 0.572 nan 8.360 nan 0.000 0.522 519 C N 0.297 119.614 119.300 0.027 0.000 3.171 519 C HA 0.708 5.168 4.460 -0.000 0.000 0.336 519 C C -1.671 173.244 174.990 -0.125 0.000 1.198 519 C CA -0.657 58.310 59.018 -0.084 0.000 1.319 519 C CB 0.600 28.329 27.740 -0.018 0.000 1.682 519 C HN 0.310 nan 8.230 nan 0.000 0.497 520 M N 4.507 123.985 119.600 -0.203 0.000 2.395 520 M HA 0.588 5.068 4.480 -0.000 0.000 0.307 520 M C -1.189 175.141 176.300 0.050 0.000 1.091 520 M CA -0.565 54.712 55.300 -0.038 0.000 0.919 520 M CB 2.197 34.800 32.600 0.005 0.000 1.662 520 M HN 0.425 nan 8.290 nan 0.000 0.440 521 V N 1.821 121.777 119.914 0.069 0.000 2.376 521 V HA 0.632 4.752 4.120 -0.000 0.000 0.287 521 V C -0.248 175.859 176.094 0.021 0.000 1.015 521 V CA -0.336 61.989 62.300 0.042 0.000 0.834 521 V CB 1.671 33.489 31.823 -0.009 0.000 1.001 521 V HN 0.960 nan 8.190 nan 0.000 0.428 522 T N 2.132 116.665 114.554 -0.036 0.000 2.804 522 T HA 0.470 4.820 4.350 -0.000 0.000 0.290 522 T C -0.927 173.679 174.700 -0.157 0.000 1.099 522 T CA -0.535 61.481 62.100 -0.139 0.000 1.011 522 T CB 1.947 70.639 68.868 -0.292 0.000 1.291 522 T HN 0.538 nan 8.240 nan 0.000 0.523 523 D N 1.094 121.402 120.400 -0.154 0.000 2.361 523 D HA 0.309 4.949 4.640 -0.000 0.000 0.239 523 D C 0.099 176.311 176.300 -0.147 0.000 1.200 523 D CA 0.034 53.961 54.000 -0.122 0.000 0.915 523 D CB 0.303 41.046 40.800 -0.095 0.000 1.170 523 D HN 0.396 nan 8.370 nan 0.000 0.444 524 L N 2.465 123.630 121.223 -0.096 0.000 2.426 524 L HA 0.213 4.553 4.340 -0.000 0.000 0.271 524 L C -1.345 175.474 176.870 -0.085 0.000 1.169 524 L CA -1.499 53.290 54.840 -0.086 0.000 0.836 524 L CB 0.325 42.355 42.059 -0.048 0.000 1.112 524 L HN 0.357 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.059 63.100 -0.069 0.000 0.800 525 P CB 0.000 31.670 31.700 -0.050 0.000 0.726