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 1xck_1_K 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 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 A N 1.951 124.770 122.820 -0.002 0.000 2.566 3 A HA 0.489 4.787 4.320 -0.037 0.000 0.245 3 A C 0.382 177.966 177.584 0.000 0.000 1.056 3 A CA 0.499 52.539 52.037 0.004 0.000 0.757 3 A CB -0.192 18.813 19.000 0.008 0.000 0.979 3 A HN 0.611 nan 8.150 nan 0.000 0.508 4 K N 1.275 121.679 120.400 0.006 0.000 2.210 4 K HA 0.449 4.746 4.320 -0.037 0.000 0.236 4 K C -0.918 175.698 176.600 0.026 0.000 1.016 4 K CA -0.672 55.615 56.287 -0.000 0.000 0.913 4 K CB 1.067 33.565 32.500 -0.003 0.000 1.141 4 K HN 0.718 nan 8.250 nan 0.000 0.462 5 D N 0.884 121.307 120.400 0.038 0.000 2.471 5 D HA 0.281 4.899 4.640 -0.037 0.000 0.245 5 D C -1.354 175.071 176.300 0.208 0.000 1.116 5 D CA -0.557 53.520 54.000 0.128 0.000 0.853 5 D CB 1.067 41.965 40.800 0.163 0.000 1.123 5 D HN 0.034 nan 8.370 nan 0.000 0.540 6 V N 4.707 124.696 119.914 0.125 0.000 2.398 6 V HA 0.428 4.526 4.120 -0.037 0.000 0.286 6 V C 0.363 176.364 176.094 -0.156 0.000 1.026 6 V CA -0.682 61.610 62.300 -0.013 0.000 0.868 6 V CB 1.576 33.335 31.823 -0.107 0.000 0.982 6 V HN 0.353 nan 8.190 nan 0.000 0.443 7 K N 3.711 123.920 120.400 -0.317 0.000 2.259 7 K HA 0.715 5.013 4.320 -0.037 0.000 0.249 7 K C -1.414 174.851 176.600 -0.559 0.000 0.942 7 K CA -0.479 55.544 56.287 -0.440 0.000 0.816 7 K CB 2.254 34.290 32.500 -0.773 0.000 1.155 7 K HN 0.424 nan 8.250 nan 0.000 0.428 8 F N -0.381 119.510 119.950 -0.098 0.000 2.594 8 F HA 0.351 4.857 4.527 -0.036 0.000 0.335 8 F C 1.500 177.263 175.800 -0.062 0.000 1.058 8 F CA 0.066 58.033 58.000 -0.056 0.000 0.981 8 F CB 1.088 40.067 39.000 -0.035 0.000 1.289 8 F HN 0.817 nan 8.300 nan 0.000 0.490 9 G N 1.302 110.221 108.800 0.198 0.000 2.668 9 G HA2 -0.467 3.471 3.960 -0.037 0.000 0.429 9 G HA3 -0.467 3.471 3.960 -0.037 0.000 0.429 9 G C 1.404 176.323 174.900 0.032 0.000 1.182 9 G CA 1.204 46.359 45.100 0.091 0.000 0.911 9 G HN 0.733 nan 8.290 nan 0.000 0.631 10 N N 0.545 119.257 118.700 0.021 0.000 2.104 10 N HA -0.164 4.554 4.740 -0.037 0.000 0.190 10 N C 1.918 177.413 175.510 -0.025 0.000 1.024 10 N CA 2.023 55.072 53.050 -0.001 0.000 0.853 10 N CB -0.364 38.122 38.487 -0.001 0.000 1.008 10 N HN 0.550 nan 8.380 nan 0.000 0.424 11 D N 0.457 120.836 120.400 -0.035 0.000 2.123 11 D HA -0.095 4.523 4.640 -0.037 0.000 0.196 11 D C 1.758 177.970 176.300 -0.146 0.000 0.992 11 D CA 1.428 55.377 54.000 -0.084 0.000 0.833 11 D CB -0.252 40.495 40.800 -0.088 0.000 0.954 11 D HN 0.338 nan 8.370 nan 0.000 0.455 12 A N 0.460 123.191 122.820 -0.148 0.000 1.873 12 A HA -0.131 4.167 4.320 -0.037 0.000 0.215 12 A C 2.358 179.895 177.584 -0.079 0.000 1.186 12 A CA 1.417 53.346 52.037 -0.179 0.000 0.616 12 A CB -0.493 18.425 19.000 -0.136 0.000 0.823 12 A HN 0.203 nan 8.150 nan 0.000 0.442 13 R N -0.313 120.163 120.500 -0.040 0.000 2.096 13 R HA -0.126 4.192 4.340 -0.037 0.000 0.235 13 R C 2.174 178.466 176.300 -0.012 0.000 1.127 13 R CA 1.660 57.752 56.100 -0.014 0.000 0.968 13 R CB -0.700 29.598 30.300 -0.003 0.000 0.861 13 R HN 0.606 nan 8.270 nan 0.000 0.440 14 V N -0.494 119.406 119.914 -0.024 0.000 2.407 14 V HA -0.181 3.917 4.120 -0.037 0.000 0.248 14 V C 1.962 178.051 176.094 -0.009 0.000 1.055 14 V CA 1.413 63.704 62.300 -0.015 0.000 1.049 14 V CB -0.403 31.407 31.823 -0.021 0.000 0.662 14 V HN 0.073 nan 8.190 nan 0.000 0.455 15 K N 0.151 120.538 120.400 -0.021 0.000 2.009 15 K HA -0.080 4.218 4.320 -0.037 0.000 0.210 15 K C 2.270 178.898 176.600 0.046 0.000 1.049 15 K CA 2.282 58.578 56.287 0.015 0.000 0.929 15 K CB -0.626 31.878 32.500 0.005 0.000 0.714 15 K HN 0.535 nan 8.250 nan 0.000 0.440 16 M N 0.273 119.899 119.600 0.042 0.000 2.080 16 M HA -0.206 4.252 4.480 -0.037 0.000 0.260 16 M C 2.252 178.570 176.300 0.029 0.000 1.068 16 M CA 1.208 56.535 55.300 0.045 0.000 1.109 16 M CB -0.401 32.222 32.600 0.038 0.000 1.342 16 M HN 0.045 nan 8.290 nan 0.000 0.405 17 L N 0.767 122.002 121.223 0.019 0.000 1.989 17 L HA -0.221 4.096 4.340 -0.037 0.000 0.211 17 L C 2.496 179.375 176.870 0.014 0.000 1.071 17 L CA 2.022 56.871 54.840 0.014 0.000 0.749 17 L CB -0.854 41.210 42.059 0.009 0.000 0.890 17 L HN 0.185 nan 8.230 nan 0.000 0.431 18 R N 0.061 120.570 120.500 0.015 0.000 2.117 18 R HA -0.109 4.209 4.340 -0.037 0.000 0.243 18 R C 2.090 178.401 176.300 0.018 0.000 1.143 18 R CA 1.859 57.968 56.100 0.015 0.000 0.968 18 R CB -1.445 28.865 30.300 0.017 0.000 0.863 18 R HN 0.496 nan 8.270 nan 0.000 0.444 19 G N -0.273 108.542 108.800 0.025 0.000 2.394 19 G HA2 -0.178 3.760 3.960 -0.037 0.000 0.214 19 G HA3 -0.178 3.760 3.960 -0.037 0.000 0.214 19 G C 1.435 176.344 174.900 0.014 0.000 1.176 19 G CA 0.899 46.013 45.100 0.023 0.000 0.786 19 G HN 0.373 nan 8.290 nan 0.000 0.533 20 V N -0.160 119.763 119.914 0.015 0.000 2.759 20 V HA -0.079 4.018 4.120 -0.037 0.000 0.256 20 V C 2.114 178.212 176.094 0.008 0.000 1.080 20 V CA 2.008 64.314 62.300 0.010 0.000 1.101 20 V CB -0.518 31.312 31.823 0.012 0.000 0.698 20 V HN 0.191 nan 8.190 nan 0.000 0.477 21 N N 1.067 119.772 118.700 0.009 0.000 2.142 21 N HA -0.087 4.631 4.740 -0.037 0.000 0.186 21 N C 1.856 177.369 175.510 0.005 0.000 1.023 21 N CA 1.837 54.891 53.050 0.007 0.000 0.852 21 N CB -0.434 38.057 38.487 0.007 0.000 0.998 21 N HN 0.511 nan 8.380 nan 0.000 0.424 22 V N 1.922 121.840 119.914 0.005 0.000 2.287 22 V HA -0.211 3.887 4.120 -0.037 0.000 0.248 22 V C 2.467 178.562 176.094 0.000 0.000 1.053 22 V CA 1.236 63.538 62.300 0.003 0.000 1.027 22 V CB -0.663 31.162 31.823 0.003 0.000 0.646 22 V HN 0.197 nan 8.190 nan 0.000 0.447 23 L N 1.043 122.266 121.223 0.000 0.000 1.970 23 L HA -0.141 4.177 4.340 -0.037 0.000 0.212 23 L C 2.461 179.330 176.870 -0.002 0.000 1.071 23 L CA 2.646 57.485 54.840 -0.002 0.000 0.751 23 L CB -1.118 40.939 42.059 -0.003 0.000 0.889 23 L HN 0.211 nan 8.230 nan 0.000 0.432 24 A N -0.694 122.127 122.820 0.001 0.000 1.883 24 A HA -0.235 4.063 4.320 -0.037 0.000 0.217 24 A C 2.010 179.595 177.584 0.002 0.000 1.186 24 A CA 1.968 54.006 52.037 0.002 0.000 0.624 24 A CB -1.042 17.960 19.000 0.005 0.000 0.822 24 A HN 0.611 nan 8.150 nan 0.000 0.444 25 D N 0.059 120.460 120.400 0.002 0.000 2.178 25 D HA -0.051 4.567 4.640 -0.037 0.000 0.201 25 D C 2.131 178.431 176.300 -0.000 0.000 0.980 25 D CA 1.446 55.447 54.000 0.001 0.000 0.842 25 D CB -0.382 40.419 40.800 0.002 0.000 0.948 25 D HN 0.459 nan 8.370 nan 0.000 0.472 26 A N 0.418 123.238 122.820 -0.001 0.000 1.929 26 A HA -0.064 4.234 4.320 -0.037 0.000 0.216 26 A C 2.485 180.068 177.584 -0.003 0.000 1.176 26 A CA 0.817 52.852 52.037 -0.003 0.000 0.628 26 A CB -0.446 18.551 19.000 -0.004 0.000 0.816 26 A HN 0.141 nan 8.150 nan 0.000 0.444 27 V N 1.107 121.020 119.914 -0.003 0.000 2.407 27 V HA -0.195 3.903 4.120 -0.037 0.000 0.245 27 V C 2.454 178.547 176.094 -0.001 0.000 1.041 27 V CA 2.061 64.359 62.300 -0.003 0.000 1.040 27 V CB -0.542 31.278 31.823 -0.004 0.000 0.671 27 V HN 0.833 nan 8.190 nan 0.000 0.455 28 K N 1.406 121.806 120.400 0.000 0.000 2.442 28 K HA -0.085 4.213 4.320 -0.037 0.000 0.198 28 K C 1.734 178.335 176.600 0.002 0.000 1.042 28 K CA 1.595 57.883 56.287 0.002 0.000 0.958 28 K CB -0.577 31.925 32.500 0.003 0.000 0.766 28 K HN 0.488 nan 8.250 nan 0.000 0.474 29 V N -0.291 119.623 119.914 0.001 0.000 2.970 29 V HA -0.143 3.954 4.120 -0.037 0.000 0.260 29 V C 2.210 178.305 176.094 0.001 0.000 1.100 29 V CA 1.683 63.983 62.300 0.001 0.000 1.122 29 V CB -0.924 30.900 31.823 0.001 0.000 0.721 29 V HN 0.545 nan 8.190 nan 0.000 0.483 30 T N -1.936 112.618 114.554 0.000 0.000 3.054 30 T HA 0.190 4.517 4.350 -0.037 0.000 0.259 30 T C 0.766 175.466 174.700 -0.000 0.000 1.092 30 T CA 0.089 62.188 62.100 -0.001 0.000 1.121 30 T CB -0.372 68.495 68.868 -0.002 0.000 0.912 30 T HN 0.384 nan 8.240 nan 0.000 0.489 31 L N 2.779 124.002 121.223 0.001 0.000 2.628 31 L HA 0.435 4.753 4.340 -0.037 0.000 0.274 31 L C 0.792 177.663 176.870 0.002 0.000 1.209 31 L CA 1.809 56.650 54.840 0.002 0.000 0.930 31 L CB -0.841 41.221 42.059 0.004 0.000 1.183 31 L HN 0.776 nan 8.230 nan 0.000 0.492 32 G N 4.013 112.813 108.800 -0.001 0.000 2.603 32 G HA2 -0.126 3.812 3.960 -0.037 0.000 0.686 32 G HA3 -0.126 3.812 3.960 -0.037 0.000 0.686 32 G C -2.042 172.852 174.900 -0.009 0.000 1.286 32 G CA -0.327 44.771 45.100 -0.004 0.000 0.871 32 G HN 0.537 nan 8.290 nan 0.000 0.568 33 P HA 0.023 nan 4.420 nan 0.000 0.220 33 P C 0.858 178.148 177.300 -0.016 0.000 1.148 33 P CA 1.112 64.198 63.100 -0.024 0.000 0.803 33 P CB 0.153 31.827 31.700 -0.043 0.000 0.782 34 K N 0.520 120.915 120.400 -0.009 0.000 2.570 34 K HA 0.265 4.563 4.320 -0.037 0.000 0.210 34 K C 0.993 177.593 176.600 0.000 0.000 1.048 34 K CA -0.223 56.062 56.287 -0.003 0.000 1.167 34 K CB 0.149 32.651 32.500 0.003 0.000 0.892 34 K HN 0.060 nan 8.250 nan 0.000 0.480 35 G N 1.463 110.262 108.800 -0.002 0.000 2.484 35 G HA2 0.046 3.984 3.960 -0.037 0.000 0.235 35 G HA3 0.046 3.984 3.960 -0.037 0.000 0.235 35 G C 0.247 175.147 174.900 -0.001 0.000 1.282 35 G CA -0.347 44.753 45.100 -0.000 0.000 0.857 35 G HN 0.093 nan 8.290 nan 0.000 0.571 36 R N 0.667 121.167 120.500 0.000 0.000 2.549 36 R HA 0.243 4.560 4.340 -0.037 0.000 0.259 36 R C -0.035 176.264 176.300 -0.001 0.000 1.095 36 R CA -0.774 55.327 56.100 0.000 0.000 1.148 36 R CB 0.294 30.595 30.300 0.001 0.000 1.181 36 R HN 0.640 nan 8.270 nan 0.000 0.571 37 N N -0.946 117.754 118.700 -0.001 0.000 2.487 37 N HA 0.353 5.071 4.740 -0.037 0.000 0.292 37 N C -1.036 174.473 175.510 -0.002 0.000 1.108 37 N CA -0.504 52.545 53.050 -0.001 0.000 0.956 37 N CB 1.570 40.057 38.487 -0.001 0.000 1.176 37 N HN 0.083 nan 8.380 nan 0.000 0.484 38 V N 1.863 121.775 119.914 -0.002 0.000 2.495 38 V HA 0.368 4.466 4.120 -0.037 0.000 0.298 38 V C -0.354 175.737 176.094 -0.004 0.000 1.031 38 V CA -0.838 61.460 62.300 -0.003 0.000 0.871 38 V CB 1.783 33.603 31.823 -0.004 0.000 0.988 38 V HN 0.328 nan 8.190 nan 0.000 0.432 39 V N 6.173 126.084 119.914 -0.004 0.000 2.370 39 V HA 0.435 4.532 4.120 -0.037 0.000 0.279 39 V C -0.156 175.935 176.094 -0.006 0.000 1.029 39 V CA -0.401 61.897 62.300 -0.004 0.000 0.870 39 V CB 1.274 33.095 31.823 -0.003 0.000 0.984 39 V HN 0.620 nan 8.190 nan 0.000 0.451 40 L N 3.938 125.157 121.223 -0.007 0.000 2.280 40 L HA 0.488 4.806 4.340 -0.037 0.000 0.287 40 L C -0.066 176.798 176.870 -0.011 0.000 1.023 40 L CA -0.514 54.320 54.840 -0.010 0.000 0.819 40 L CB 1.426 43.479 42.059 -0.010 0.000 1.212 40 L HN 0.548 nan 8.230 nan 0.000 0.420 41 D N 3.364 123.755 120.400 -0.016 0.000 2.372 41 D HA 0.214 4.831 4.640 -0.037 0.000 0.243 41 D C -0.593 175.691 176.300 -0.027 0.000 1.121 41 D CA 0.287 54.275 54.000 -0.020 0.000 0.898 41 D CB 0.883 41.668 40.800 -0.026 0.000 1.202 41 D HN 0.338 nan 8.370 nan 0.000 0.428 42 K N 1.060 121.444 120.400 -0.026 0.000 2.397 42 K HA 0.207 4.505 4.320 -0.037 0.000 0.253 42 K C 1.071 177.626 176.600 -0.075 0.000 0.932 42 K CA -0.554 55.713 56.287 -0.033 0.000 0.795 42 K CB 1.767 34.272 32.500 0.008 0.000 1.159 42 K HN 0.410 nan 8.250 nan 0.000 0.424 43 S N 2.007 117.604 115.700 -0.172 0.000 2.389 43 S HA -0.172 4.275 4.470 -0.037 0.000 0.231 43 S C 0.492 174.863 174.600 -0.381 0.000 1.052 43 S CA 1.153 59.139 58.200 -0.358 0.000 1.053 43 S CB -0.367 62.474 63.200 -0.599 0.000 0.886 43 S HN 0.402 nan 8.310 nan 0.000 0.456 44 F N 2.646 122.593 119.950 -0.004 0.000 2.402 44 F HA 0.691 5.193 4.527 -0.041 0.000 0.355 44 F C 1.154 176.952 175.800 -0.004 0.000 1.123 44 F CA -0.163 57.835 58.000 -0.004 0.000 1.021 44 F CB 1.095 40.093 39.000 -0.003 0.000 1.160 44 F HN 0.545 nan 8.300 nan 0.000 0.451 45 G N 1.524 110.441 108.800 0.196 0.000 2.512 45 G HA2 0.268 4.206 3.960 -0.037 0.000 0.210 45 G HA3 0.268 4.206 3.960 -0.037 0.000 0.210 45 G C -0.885 174.052 174.900 0.062 0.000 1.295 45 G CA -0.586 44.578 45.100 0.106 0.000 0.934 45 G HN 0.989 nan 8.290 nan 0.000 0.554 46 A N 0.784 123.630 122.820 0.043 0.000 2.322 46 A HA 0.812 5.110 4.320 -0.037 0.000 0.269 46 A C -1.528 176.069 177.584 0.021 0.000 1.094 46 A CA -0.330 51.723 52.037 0.027 0.000 0.807 46 A CB 0.009 19.022 19.000 0.021 0.000 1.047 46 A HN 0.703 nan 8.150 nan 0.000 0.487 47 P HA 0.263 nan 4.420 nan 0.000 0.271 47 P C -0.325 176.979 177.300 0.007 0.000 1.233 47 P CA 0.025 63.128 63.100 0.006 0.000 0.789 47 P CB 0.419 32.120 31.700 0.001 0.000 0.951 48 T N 1.722 116.278 114.554 0.004 0.000 2.799 48 T HA 0.482 4.809 4.350 -0.037 0.000 0.286 48 T C 0.210 174.911 174.700 0.001 0.000 0.973 48 T CA -0.232 61.871 62.100 0.004 0.000 1.035 48 T CB -0.016 68.853 68.868 0.003 0.000 0.932 48 T HN 0.167 nan 8.240 nan 0.000 0.469 49 I N 2.794 123.365 120.570 0.002 0.000 2.354 49 I HA 0.524 4.672 4.170 -0.037 0.000 0.292 49 I C 0.478 176.595 176.117 -0.000 0.000 0.989 49 I CA -0.457 60.843 61.300 0.000 0.000 1.188 49 I CB 1.800 39.801 38.000 0.001 0.000 1.342 49 I HN 0.516 nan 8.210 nan 0.000 0.457 50 T N 4.359 118.913 114.554 -0.001 0.000 2.843 50 T HA 0.399 4.727 4.350 -0.037 0.000 0.302 50 T C -0.143 174.555 174.700 -0.002 0.000 1.232 50 T CA -0.572 61.527 62.100 -0.002 0.000 1.009 50 T CB 1.809 70.675 68.868 -0.002 0.000 1.254 50 T HN 0.673 nan 8.240 nan 0.000 0.504 51 K N 0.970 121.369 120.400 -0.002 0.000 2.447 51 K HA 0.198 4.496 4.320 -0.037 0.000 0.205 51 K C -0.720 175.879 176.600 -0.002 0.000 1.059 51 K CA -0.234 56.051 56.287 -0.002 0.000 1.065 51 K CB 0.563 33.061 32.500 -0.002 0.000 0.885 51 K HN 0.478 nan 8.250 nan 0.000 0.545 52 D N 0.238 120.637 120.400 -0.003 0.000 2.365 52 D HA 0.098 4.716 4.640 -0.037 0.000 0.237 52 D C 1.225 177.522 176.300 -0.005 0.000 1.190 52 D CA -0.098 53.900 54.000 -0.003 0.000 0.867 52 D CB 1.227 42.026 40.800 -0.002 0.000 1.050 52 D HN 0.188 nan 8.370 nan 0.000 0.491 53 G N 2.473 111.270 108.800 -0.005 0.000 2.462 53 G HA2 -0.214 3.724 3.960 -0.037 0.000 0.220 53 G HA3 -0.214 3.724 3.960 -0.037 0.000 0.220 53 G C 1.435 176.329 174.900 -0.011 0.000 1.121 53 G CA 0.687 45.783 45.100 -0.007 0.000 0.758 53 G HN 0.489 nan 8.290 nan 0.000 0.559 54 V N 0.825 120.732 119.914 -0.012 0.000 2.453 54 V HA -0.141 3.957 4.120 -0.037 0.000 0.247 54 V C 3.027 179.111 176.094 -0.016 0.000 1.048 54 V CA 2.045 64.335 62.300 -0.017 0.000 1.049 54 V CB -0.363 31.450 31.823 -0.018 0.000 0.672 54 V HN 0.348 nan 8.190 nan 0.000 0.457 55 S N 0.065 115.758 115.700 -0.012 0.000 2.368 55 S HA -0.150 4.298 4.470 -0.037 0.000 0.224 55 S C 2.050 176.642 174.600 -0.013 0.000 1.029 55 S CA 1.469 59.662 58.200 -0.012 0.000 0.988 55 S CB -0.182 63.013 63.200 -0.008 0.000 0.838 55 S HN 0.379 nan 8.310 nan 0.000 0.462 56 V N 2.266 122.173 119.914 -0.011 0.000 2.237 56 V HA -0.225 3.873 4.120 -0.037 0.000 0.245 56 V C 2.717 178.802 176.094 -0.014 0.000 1.046 56 V CA 1.786 64.079 62.300 -0.012 0.000 1.007 56 V CB -1.348 30.470 31.823 -0.009 0.000 0.638 56 V HN 0.540 nan 8.190 nan 0.000 0.445 57 A N -0.307 122.504 122.820 -0.015 0.000 1.917 57 A HA -0.319 3.979 4.320 -0.037 0.000 0.219 57 A C 2.412 179.983 177.584 -0.021 0.000 1.182 57 A CA 2.307 54.333 52.037 -0.018 0.000 0.633 57 A CB -0.700 18.288 19.000 -0.020 0.000 0.819 57 A HN 0.466 nan 8.150 nan 0.000 0.448 58 R N -0.628 119.858 120.500 -0.023 0.000 2.117 58 R HA -0.158 4.159 4.340 -0.037 0.000 0.243 58 R C 1.581 177.866 176.300 -0.025 0.000 1.143 58 R CA 1.624 57.709 56.100 -0.026 0.000 0.968 58 R CB -0.153 30.132 30.300 -0.025 0.000 0.863 58 R HN 0.507 nan 8.270 nan 0.000 0.444 59 E N 0.197 120.384 120.200 -0.022 0.000 2.358 59 E HA -0.035 4.293 4.350 -0.037 0.000 0.195 59 E C 0.382 176.969 176.600 -0.022 0.000 1.010 59 E CA 0.238 56.625 56.400 -0.022 0.000 0.856 59 E CB 0.107 29.795 29.700 -0.020 0.000 0.795 59 E HN 0.225 nan 8.360 nan 0.000 0.504 60 I N 2.033 122.591 120.570 -0.020 0.000 2.517 60 I HA 0.098 4.246 4.170 -0.037 0.000 0.285 60 I C 0.397 176.502 176.117 -0.020 0.000 1.106 60 I CA 0.323 61.613 61.300 -0.018 0.000 1.402 60 I CB -0.025 37.966 38.000 -0.014 0.000 1.399 60 I HN -0.044 nan 8.210 nan 0.000 0.535 61 E N 7.030 127.219 120.200 -0.020 0.000 2.343 61 E HA 0.434 4.762 4.350 -0.037 0.000 0.288 61 E C -1.702 174.887 176.600 -0.019 0.000 0.907 61 E CA -0.564 55.823 56.400 -0.022 0.000 0.792 61 E CB 1.795 31.479 29.700 -0.026 0.000 1.275 61 E HN 0.441 nan 8.360 nan 0.000 0.402 62 L N 3.472 124.685 121.223 -0.017 0.000 2.360 62 L HA 0.374 4.692 4.340 -0.037 0.000 0.271 62 L C 1.542 178.402 176.870 -0.016 0.000 1.057 62 L CA -0.407 54.426 54.840 -0.012 0.000 0.803 62 L CB 1.425 43.483 42.059 -0.002 0.000 1.207 62 L HN 0.748 nan 8.230 nan 0.000 0.445 63 E N 0.967 121.160 120.200 -0.011 0.000 2.072 63 E HA -0.177 4.151 4.350 -0.037 0.000 0.191 63 E C 0.552 177.145 176.600 -0.012 0.000 0.985 63 E CA 0.545 56.937 56.400 -0.013 0.000 0.801 63 E CB 0.267 29.963 29.700 -0.008 0.000 0.750 63 E HN 0.667 nan 8.360 nan 0.000 0.452 64 D N 0.673 121.077 120.400 0.007 0.000 2.382 64 D HA -0.062 4.556 4.640 -0.037 0.000 0.259 64 D C 0.664 176.961 176.300 -0.005 0.000 1.224 64 D CA 0.006 54.023 54.000 0.028 0.000 0.894 64 D CB 0.906 41.746 40.800 0.067 0.000 1.127 64 D HN 0.059 nan 8.370 nan 0.000 0.487 65 K N 3.625 123.978 120.400 -0.077 0.000 2.074 65 K HA -0.183 4.115 4.320 -0.037 0.000 0.209 65 K C 1.895 178.346 176.600 -0.248 0.000 1.048 65 K CA 1.225 57.384 56.287 -0.212 0.000 0.926 65 K CB -0.353 31.927 32.500 -0.366 0.000 0.713 65 K HN 0.488 nan 8.250 nan 0.000 0.444 66 F N 1.784 121.719 119.950 -0.025 0.000 2.113 66 F HA -0.076 4.431 4.527 -0.034 0.000 0.297 66 F C 2.465 178.252 175.800 -0.022 0.000 1.103 66 F CA 1.138 59.121 58.000 -0.028 0.000 1.248 66 F CB -0.505 38.478 39.000 -0.030 0.000 0.999 66 F HN 0.104 nan 8.300 nan 0.000 0.475 67 E N -0.066 120.233 120.200 0.165 0.000 2.077 67 E HA -0.265 4.063 4.350 -0.037 0.000 0.193 67 E C 1.861 178.486 176.600 0.042 0.000 0.989 67 E CA 1.354 57.806 56.400 0.086 0.000 0.800 67 E CB -0.351 29.387 29.700 0.063 0.000 0.746 67 E HN 0.326 nan 8.360 nan 0.000 0.452 68 N N 0.554 119.263 118.700 0.015 0.000 2.120 68 N HA -0.161 4.557 4.740 -0.037 0.000 0.188 68 N C 1.748 177.250 175.510 -0.014 0.000 1.024 68 N CA 1.317 54.360 53.050 -0.011 0.000 0.852 68 N CB 0.011 38.476 38.487 -0.036 0.000 1.003 68 N HN 0.069 nan 8.380 nan 0.000 0.424 69 M N -0.705 118.884 119.600 -0.019 0.000 2.149 69 M HA -0.050 4.408 4.480 -0.037 0.000 0.261 69 M C 2.186 178.491 176.300 0.008 0.000 1.064 69 M CA 1.665 56.956 55.300 -0.015 0.000 1.102 69 M CB -0.567 32.024 32.600 -0.016 0.000 1.369 69 M HN 0.327 nan 8.290 nan 0.000 0.408 70 G N 0.008 108.824 108.800 0.028 0.000 2.433 70 G HA2 -0.160 3.777 3.960 -0.037 0.000 0.216 70 G HA3 -0.160 3.777 3.960 -0.037 0.000 0.216 70 G C 1.640 176.548 174.900 0.013 0.000 1.186 70 G CA 1.039 46.156 45.100 0.027 0.000 0.779 70 G HN 0.538 nan 8.290 nan 0.000 0.543 71 A N 0.059 122.885 122.820 0.009 0.000 1.877 71 A HA -0.100 4.198 4.320 -0.037 0.000 0.216 71 A C 2.412 179.992 177.584 -0.006 0.000 1.186 71 A CA 2.096 54.133 52.037 0.001 0.000 0.620 71 A CB -0.466 18.533 19.000 -0.002 0.000 0.822 71 A HN 0.312 nan 8.150 nan 0.000 0.443 72 Q N -0.629 119.164 119.800 -0.011 0.000 2.135 72 Q HA -0.158 4.160 4.340 -0.037 0.000 0.204 72 Q C 2.143 178.134 176.000 -0.015 0.000 0.981 72 Q CA 1.617 57.410 55.803 -0.017 0.000 0.856 72 Q CB -0.560 28.164 28.738 -0.023 0.000 0.902 72 Q HN 0.785 nan 8.270 nan 0.000 0.425 73 M N -0.235 119.361 119.600 -0.007 0.000 2.067 73 M HA -0.150 4.307 4.480 -0.037 0.000 0.260 73 M C 2.301 178.600 176.300 -0.001 0.000 1.069 73 M CA 1.654 56.953 55.300 -0.002 0.000 1.117 73 M CB -0.449 32.155 32.600 0.008 0.000 1.334 73 M HN 0.194 nan 8.290 nan 0.000 0.407 74 V N -0.579 119.336 119.914 0.001 0.000 2.548 74 V HA -0.203 3.895 4.120 -0.037 0.000 0.249 74 V C 2.041 178.127 176.094 -0.013 0.000 1.055 74 V CA 1.903 64.204 62.300 0.002 0.000 1.065 74 V CB -0.613 31.215 31.823 0.009 0.000 0.681 74 V HN 0.451 nan 8.190 nan 0.000 0.462 75 K N 0.072 120.462 120.400 -0.018 0.000 2.063 75 K HA -0.241 4.057 4.320 -0.037 0.000 0.208 75 K C 2.323 178.896 176.600 -0.045 0.000 1.048 75 K CA 2.226 58.496 56.287 -0.029 0.000 0.928 75 K CB -0.305 32.180 32.500 -0.026 0.000 0.713 75 K HN 0.712 nan 8.250 nan 0.000 0.442 76 E N -0.025 120.150 120.200 -0.043 0.000 2.017 76 E HA -0.169 4.159 4.350 -0.037 0.000 0.193 76 E C 1.991 178.534 176.600 -0.095 0.000 0.997 76 E CA 1.772 58.137 56.400 -0.058 0.000 0.804 76 E CB -0.024 29.652 29.700 -0.040 0.000 0.757 76 E HN 0.297 nan 8.360 nan 0.000 0.448 77 V N -0.865 119.004 119.914 -0.075 0.000 2.626 77 V HA -0.089 4.008 4.120 -0.037 0.000 0.252 77 V C 2.203 178.170 176.094 -0.212 0.000 1.067 77 V CA 1.746 63.973 62.300 -0.123 0.000 1.081 77 V CB -0.697 31.145 31.823 0.031 0.000 0.686 77 V HN 0.289 nan 8.190 nan 0.000 0.468 78 A N 1.633 124.387 122.820 -0.109 0.000 1.933 78 A HA -0.153 4.144 4.320 -0.037 0.000 0.218 78 A C 2.646 180.135 177.584 -0.157 0.000 1.175 78 A CA 2.484 54.464 52.037 -0.095 0.000 0.628 78 A CB -1.083 17.892 19.000 -0.042 0.000 0.814 78 A HN 1.012 nan 8.150 nan 0.000 0.444 79 S N 0.186 115.793 115.700 -0.155 0.000 2.382 79 S HA -0.213 4.235 4.470 -0.037 0.000 0.228 79 S C 1.808 176.270 174.600 -0.231 0.000 1.027 79 S CA 1.544 59.654 58.200 -0.151 0.000 0.991 79 S CB -0.475 62.656 63.200 -0.115 0.000 0.823 79 S HN 0.602 nan 8.310 nan 0.000 0.469 80 K N 1.516 121.685 120.400 -0.384 0.000 2.218 80 K HA -0.021 4.277 4.320 -0.037 0.000 0.205 80 K C 2.469 178.745 176.600 -0.539 0.000 1.046 80 K CA 1.178 57.134 56.287 -0.551 0.000 0.933 80 K CB -0.576 31.344 32.500 -0.966 0.000 0.728 80 K HN 0.562 nan 8.250 nan 0.000 0.454 81 A N 1.696 124.232 122.820 -0.473 0.000 1.877 81 A HA -0.217 4.081 4.320 -0.037 0.000 0.216 81 A C 1.933 179.482 177.584 -0.058 0.000 1.186 81 A CA 1.865 53.840 52.037 -0.104 0.000 0.620 81 A CB -0.623 18.388 19.000 0.018 0.000 0.822 81 A HN 0.274 nan 8.150 nan 0.000 0.443 82 N N 0.093 118.737 118.700 -0.092 0.000 2.120 82 N HA -0.133 4.585 4.740 -0.037 0.000 0.188 82 N C 1.178 176.631 175.510 -0.095 0.000 1.024 82 N CA 1.564 54.569 53.050 -0.073 0.000 0.852 82 N CB -0.181 38.263 38.487 -0.072 0.000 1.003 82 N HN 0.414 nan 8.380 nan 0.000 0.424 83 D N -0.254 120.077 120.400 -0.115 0.000 2.144 83 D HA -0.101 4.517 4.640 -0.037 0.000 0.199 83 D C 1.680 177.925 176.300 -0.092 0.000 0.984 83 D CA 1.188 55.118 54.000 -0.115 0.000 0.834 83 D CB -0.358 40.372 40.800 -0.116 0.000 0.955 83 D HN 0.371 nan 8.370 nan 0.000 0.465 84 A N 0.317 123.109 122.820 -0.047 0.000 1.930 84 A HA 0.241 4.539 4.320 -0.037 0.000 0.215 84 A C 1.986 179.570 177.584 -0.000 0.000 1.176 84 A CA 1.680 53.722 52.037 0.008 0.000 0.632 84 A CB 0.030 19.096 19.000 0.109 0.000 0.819 84 A HN 0.226 nan 8.150 nan 0.000 0.445 85 A N -2.778 120.039 122.820 -0.006 0.000 2.551 85 A HA 0.477 4.775 4.320 -0.037 0.000 0.252 85 A C 1.522 179.097 177.584 -0.015 0.000 1.199 85 A CA 0.965 53.003 52.037 0.002 0.000 0.972 85 A CB -0.306 18.712 19.000 0.029 0.000 1.153 85 A HN 1.826 nan 8.150 nan 0.000 0.559 86 G N -0.545 108.215 108.800 -0.067 0.000 2.162 86 G HA2 -0.189 3.749 3.960 -0.037 0.000 0.260 86 G HA3 -0.189 3.749 3.960 -0.037 0.000 0.260 86 G C -0.139 174.753 174.900 -0.013 0.000 0.976 86 G CA 0.801 45.857 45.100 -0.073 0.000 0.655 86 G HN 0.979 nan 8.290 nan 0.000 0.533 87 D N -3.191 117.204 120.400 -0.008 0.000 2.755 87 D HA 0.574 5.191 4.640 -0.037 0.000 0.277 87 D C 0.792 177.096 176.300 0.007 0.000 1.261 87 D CA 1.435 55.437 54.000 0.003 0.000 0.759 87 D CB 0.219 41.029 40.800 0.016 0.000 1.279 87 D HN 1.413 nan 8.370 nan 0.000 0.420 88 G N -0.112 108.693 108.800 0.008 0.000 2.179 88 G HA2 -0.253 3.685 3.960 -0.037 0.000 0.220 88 G HA3 -0.253 3.685 3.960 -0.037 0.000 0.220 88 G C 1.075 175.981 174.900 0.011 0.000 0.990 88 G CA 0.738 45.848 45.100 0.016 0.000 0.646 88 G HN 0.562 nan 8.290 nan 0.000 0.517 89 T N 0.677 115.226 114.554 -0.007 0.000 2.777 89 T HA -0.043 4.285 4.350 -0.037 0.000 0.266 89 T C 2.605 177.300 174.700 -0.008 0.000 1.040 89 T CA 2.463 64.551 62.100 -0.019 0.000 1.141 89 T CB -0.259 68.588 68.868 -0.035 0.000 0.868 89 T HN 0.434 nan 8.240 nan 0.000 0.444 90 T N 1.353 115.904 114.554 -0.004 0.000 2.737 90 T HA -0.088 4.240 4.350 -0.037 0.000 0.265 90 T C 2.229 176.933 174.700 0.006 0.000 1.038 90 T CA 1.587 63.687 62.100 -0.001 0.000 1.144 90 T CB -0.643 68.225 68.868 -0.000 0.000 0.866 90 T HN 0.378 nan 8.240 nan 0.000 0.434 91 T N 2.233 116.794 114.554 0.010 0.000 2.652 91 T HA -0.118 4.210 4.350 -0.037 0.000 0.267 91 T C 2.390 177.103 174.700 0.022 0.000 1.039 91 T CA 1.351 63.461 62.100 0.016 0.000 1.153 91 T CB -0.676 68.204 68.868 0.020 0.000 0.863 91 T HN 0.434 nan 8.240 nan 0.000 0.428 92 A N 1.201 124.039 122.820 0.030 0.000 1.948 92 A HA -0.179 4.119 4.320 -0.037 0.000 0.220 92 A C 2.553 180.155 177.584 0.030 0.000 1.177 92 A CA 2.296 54.359 52.037 0.043 0.000 0.636 92 A CB -1.297 17.737 19.000 0.057 0.000 0.815 92 A HN 0.514 nan 8.150 nan 0.000 0.449 93 T N -0.474 114.089 114.554 0.016 0.000 2.737 93 T HA -0.126 4.201 4.350 -0.037 0.000 0.265 93 T C 2.006 176.713 174.700 0.013 0.000 1.038 93 T CA 1.869 63.976 62.100 0.011 0.000 1.144 93 T CB -0.742 68.127 68.868 0.003 0.000 0.866 93 T HN 0.681 nan 8.240 nan 0.000 0.434 94 V N 0.813 120.734 119.914 0.012 0.000 2.515 94 V HA -0.024 4.074 4.120 -0.037 0.000 0.250 94 V C 2.149 178.251 176.094 0.014 0.000 1.058 94 V CA 1.385 63.691 62.300 0.011 0.000 1.064 94 V CB -0.914 30.914 31.823 0.009 0.000 0.675 94 V HN 0.468 nan 8.190 nan 0.000 0.461 95 L N 0.510 121.744 121.223 0.018 0.000 2.027 95 L HA -0.030 4.288 4.340 -0.037 0.000 0.206 95 L C 3.062 179.944 176.870 0.021 0.000 1.074 95 L CA 1.777 56.629 54.840 0.020 0.000 0.745 95 L CB -0.932 41.143 42.059 0.026 0.000 0.898 95 L HN 0.450 nan 8.230 nan 0.000 0.433 96 A N -0.565 122.270 122.820 0.024 0.000 1.908 96 A HA -0.306 3.992 4.320 -0.037 0.000 0.218 96 A C 2.243 179.837 177.584 0.018 0.000 1.181 96 A CA 1.997 54.048 52.037 0.024 0.000 0.627 96 A CB -0.646 18.370 19.000 0.027 0.000 0.818 96 A HN 0.527 nan 8.150 nan 0.000 0.445 97 Q N -0.510 119.299 119.800 0.015 0.000 2.061 97 Q HA -0.155 4.163 4.340 -0.037 0.000 0.204 97 Q C 2.203 178.210 176.000 0.011 0.000 0.984 97 Q CA 1.757 57.567 55.803 0.012 0.000 0.846 97 Q CB -0.369 28.375 28.738 0.010 0.000 0.902 97 Q HN 0.600 nan 8.270 nan 0.000 0.421 98 A N 0.983 123.810 122.820 0.011 0.000 1.858 98 A HA -0.186 4.112 4.320 -0.037 0.000 0.216 98 A C 2.023 179.613 177.584 0.010 0.000 1.190 98 A CA 1.594 53.637 52.037 0.010 0.000 0.617 98 A CB -0.783 18.223 19.000 0.010 0.000 0.827 98 A HN 0.495 nan 8.150 nan 0.000 0.443 99 I N -0.320 120.257 120.570 0.012 0.000 2.142 99 I HA -0.273 3.874 4.170 -0.037 0.000 0.240 99 I C 2.362 178.486 176.117 0.011 0.000 1.078 99 I CA 1.508 62.815 61.300 0.012 0.000 1.343 99 I CB -0.471 37.537 38.000 0.014 0.000 1.046 99 I HN 0.301 nan 8.210 nan 0.000 0.405 100 I N 0.469 121.047 120.570 0.013 0.000 2.208 100 I HA -0.299 3.849 4.170 -0.037 0.000 0.245 100 I C 2.600 178.723 176.117 0.010 0.000 1.097 100 I CA 1.656 62.964 61.300 0.012 0.000 1.363 100 I CB -0.671 37.337 38.000 0.014 0.000 1.051 100 I HN 0.281 nan 8.210 nan 0.000 0.413 101 T N 0.145 114.704 114.554 0.009 0.000 2.674 101 T HA -0.160 4.167 4.350 -0.037 0.000 0.265 101 T C 1.842 176.546 174.700 0.006 0.000 1.039 101 T CA 1.296 63.401 62.100 0.007 0.000 1.150 101 T CB -0.180 68.692 68.868 0.006 0.000 0.864 101 T HN 0.276 nan 8.240 nan 0.000 0.427 102 E N 0.703 120.907 120.200 0.006 0.000 2.106 102 E HA -0.012 4.315 4.350 -0.037 0.000 0.192 102 E C 2.538 179.142 176.600 0.006 0.000 0.984 102 E CA 1.029 57.433 56.400 0.006 0.000 0.806 102 E CB -0.881 28.822 29.700 0.006 0.000 0.750 102 E HN 0.565 nan 8.360 nan 0.000 0.458 103 G N 1.301 110.105 108.800 0.007 0.000 2.418 103 G HA2 -0.215 3.723 3.960 -0.037 0.000 0.217 103 G HA3 -0.215 3.723 3.960 -0.037 0.000 0.217 103 G C 1.722 176.626 174.900 0.007 0.000 1.158 103 G CA 0.516 45.621 45.100 0.007 0.000 0.771 103 G HN 0.190 nan 8.290 nan 0.000 0.545 104 L N -0.189 121.038 121.223 0.007 0.000 2.141 104 L HA -0.025 4.293 4.340 -0.037 0.000 0.209 104 L C 2.937 179.810 176.870 0.005 0.000 1.094 104 L CA 0.970 55.813 54.840 0.006 0.000 0.763 104 L CB -0.332 41.730 42.059 0.006 0.000 0.908 104 L HN 0.188 nan 8.230 nan 0.000 0.437 105 K N 0.281 120.683 120.400 0.004 0.000 2.032 105 K HA -0.191 4.107 4.320 -0.037 0.000 0.209 105 K C 2.256 178.858 176.600 0.003 0.000 1.048 105 K CA 1.553 57.842 56.287 0.003 0.000 0.927 105 K CB -0.229 32.273 32.500 0.003 0.000 0.712 105 K HN 0.282 nan 8.250 nan 0.000 0.441 106 A N 0.942 123.764 122.820 0.004 0.000 1.883 106 A HA -0.145 4.153 4.320 -0.037 0.000 0.217 106 A C 2.343 179.929 177.584 0.004 0.000 1.186 106 A CA 1.621 53.660 52.037 0.004 0.000 0.624 106 A CB -0.734 18.268 19.000 0.004 0.000 0.822 106 A HN 0.105 nan 8.150 nan 0.000 0.444 107 V N -0.174 119.743 119.914 0.005 0.000 2.332 107 V HA -0.271 3.827 4.120 -0.037 0.000 0.248 107 V C 3.019 179.116 176.094 0.005 0.000 1.055 107 V CA 2.011 64.314 62.300 0.006 0.000 1.038 107 V CB -1.208 30.619 31.823 0.008 0.000 0.651 107 V HN 0.628 nan 8.190 nan 0.000 0.450 108 A N -0.107 122.715 122.820 0.004 0.000 1.969 108 A HA 0.015 4.313 4.320 -0.037 0.000 0.218 108 A C 2.268 179.853 177.584 0.001 0.000 1.169 108 A CA 1.568 53.606 52.037 0.002 0.000 0.635 108 A CB -0.581 18.419 19.000 0.001 0.000 0.810 108 A HN 0.588 nan 8.150 nan 0.000 0.445 109 A N -1.661 121.160 122.820 0.002 0.000 2.239 109 A HA 0.374 4.672 4.320 -0.037 0.000 0.209 109 A C 1.777 179.362 177.584 0.001 0.000 1.171 109 A CA 1.313 53.351 52.037 0.001 0.000 0.768 109 A CB -0.984 18.017 19.000 0.001 0.000 0.790 109 A HN 1.872 nan 8.150 nan 0.000 0.478 110 G N -2.000 106.801 108.800 0.002 0.000 2.157 110 G HA2 -0.228 3.709 3.960 -0.037 0.000 0.239 110 G HA3 -0.228 3.709 3.960 -0.037 0.000 0.239 110 G C 0.157 175.058 174.900 0.002 0.000 0.982 110 G CA 0.233 45.334 45.100 0.001 0.000 0.650 110 G HN 0.393 nan 8.290 nan 0.000 0.527 111 M N 0.626 120.227 119.600 0.003 0.000 2.255 111 M HA 0.231 4.688 4.480 -0.037 0.000 0.336 111 M C 0.730 177.032 176.300 0.004 0.000 1.135 111 M CA -0.520 54.782 55.300 0.003 0.000 1.145 111 M CB 0.495 33.097 32.600 0.003 0.000 1.473 111 M HN 0.171 nan 8.290 nan 0.000 0.462 112 N N 2.716 121.418 118.700 0.004 0.000 2.438 112 N HA 0.073 4.791 4.740 -0.037 0.000 0.267 112 N C -2.111 173.403 175.510 0.007 0.000 1.222 112 N CA -1.166 51.887 53.050 0.005 0.000 0.930 112 N CB 1.148 39.638 38.487 0.005 0.000 1.083 112 N HN 0.293 nan 8.380 nan 0.000 0.476 113 P HA -0.155 nan 4.420 nan 0.000 0.215 113 P C 1.696 179.002 177.300 0.009 0.000 1.157 113 P CA 1.460 64.566 63.100 0.010 0.000 0.874 113 P CB 0.194 31.902 31.700 0.013 0.000 0.790 114 M N -0.871 118.734 119.600 0.009 0.000 2.159 114 M HA -0.144 4.314 4.480 -0.037 0.000 0.263 114 M C 1.538 177.842 176.300 0.006 0.000 1.063 114 M CA 1.662 56.967 55.300 0.008 0.000 1.110 114 M CB -1.753 30.852 32.600 0.008 0.000 1.374 114 M HN 0.006 nan 8.290 nan 0.000 0.411 115 D N 0.334 120.737 120.400 0.005 0.000 2.149 115 D HA -0.030 4.588 4.640 -0.037 0.000 0.201 115 D C 2.318 178.621 176.300 0.004 0.000 0.972 115 D CA 0.904 54.906 54.000 0.004 0.000 0.835 115 D CB -0.063 40.739 40.800 0.003 0.000 0.966 115 D HN 0.330 nan 8.370 nan 0.000 0.476 116 L N 0.880 122.106 121.223 0.005 0.000 2.083 116 L HA -0.174 4.144 4.340 -0.037 0.000 0.209 116 L C 2.551 179.424 176.870 0.005 0.000 1.083 116 L CA 1.125 55.968 54.840 0.005 0.000 0.752 116 L CB -0.313 41.749 42.059 0.006 0.000 0.899 116 L HN -0.021 nan 8.230 nan 0.000 0.433 117 K N 0.462 120.866 120.400 0.005 0.000 2.025 117 K HA -0.224 4.074 4.320 -0.037 0.000 0.207 117 K C 2.350 178.951 176.600 0.002 0.000 1.049 117 K CA 1.342 57.631 56.287 0.005 0.000 0.933 117 K CB -0.043 32.461 32.500 0.006 0.000 0.714 117 K HN 0.069 nan 8.250 nan 0.000 0.438 118 R N -0.208 120.293 120.500 0.002 0.000 2.105 118 R HA -0.104 4.214 4.340 -0.037 0.000 0.239 118 R C 2.279 178.579 176.300 -0.000 0.000 1.135 118 R CA 1.696 57.796 56.100 0.000 0.000 0.967 118 R CB -0.481 29.819 30.300 0.001 0.000 0.861 118 R HN 0.431 nan 8.270 nan 0.000 0.442 119 G N 0.564 109.365 108.800 0.001 0.000 2.402 119 G HA2 -0.212 3.725 3.960 -0.037 0.000 0.216 119 G HA3 -0.212 3.725 3.960 -0.037 0.000 0.216 119 G C 1.420 176.320 174.900 0.000 0.000 1.162 119 G CA 0.696 45.796 45.100 0.001 0.000 0.777 119 G HN 0.244 nan 8.290 nan 0.000 0.539 120 I N 1.047 121.618 120.570 0.001 0.000 2.179 120 I HA -0.148 4.000 4.170 -0.037 0.000 0.242 120 I C 2.287 178.402 176.117 -0.003 0.000 1.088 120 I CA 1.232 62.533 61.300 0.001 0.000 1.357 120 I CB -0.179 37.823 38.000 0.003 0.000 1.051 120 I HN 0.052 nan 8.210 nan 0.000 0.409 121 D N 0.807 121.204 120.400 -0.004 0.000 2.117 121 D HA -0.213 4.405 4.640 -0.037 0.000 0.197 121 D C 2.059 178.353 176.300 -0.009 0.000 0.987 121 D CA 1.212 55.207 54.000 -0.009 0.000 0.829 121 D CB -0.214 40.581 40.800 -0.009 0.000 0.961 121 D HN 0.288 nan 8.370 nan 0.000 0.460 122 K N 0.761 121.158 120.400 -0.006 0.000 2.026 122 K HA -0.129 4.169 4.320 -0.037 0.000 0.208 122 K C 2.074 178.671 176.600 -0.005 0.000 1.048 122 K CA 1.387 57.671 56.287 -0.005 0.000 0.929 122 K CB -0.088 32.410 32.500 -0.003 0.000 0.713 122 K HN 0.012 nan 8.250 nan 0.000 0.439 123 A N 0.666 123.484 122.820 -0.003 0.000 1.892 123 A HA -0.161 4.136 4.320 -0.037 0.000 0.218 123 A C 2.274 179.856 177.584 -0.004 0.000 1.188 123 A CA 2.007 54.043 52.037 -0.001 0.000 0.631 123 A CB -0.861 18.139 19.000 0.001 0.000 0.822 123 A HN 0.200 nan 8.150 nan 0.000 0.447 124 V N -0.293 119.617 119.914 -0.007 0.000 2.295 124 V HA -0.246 3.851 4.120 -0.037 0.000 0.246 124 V C 2.753 178.837 176.094 -0.015 0.000 1.049 124 V CA 2.506 64.799 62.300 -0.012 0.000 1.024 124 V CB -1.383 30.429 31.823 -0.018 0.000 0.648 124 V HN 0.634 nan 8.190 nan 0.000 0.447 125 T N 0.552 115.096 114.554 -0.016 0.000 2.684 125 T HA -0.225 4.102 4.350 -0.037 0.000 0.267 125 T C 2.065 176.758 174.700 -0.011 0.000 1.036 125 T CA 1.825 63.915 62.100 -0.017 0.000 1.148 125 T CB -0.508 68.351 68.868 -0.015 0.000 0.863 125 T HN 0.585 nan 8.240 nan 0.000 0.436 126 A N 1.426 124.242 122.820 -0.007 0.000 1.902 126 A HA 0.143 4.441 4.320 -0.037 0.000 0.217 126 A C 2.663 180.246 177.584 -0.001 0.000 1.181 126 A CA 1.885 53.920 52.037 -0.003 0.000 0.623 126 A CB -1.132 17.868 19.000 -0.001 0.000 0.818 126 A HN 0.521 nan 8.150 nan 0.000 0.443 127 A N -0.604 122.215 122.820 -0.002 0.000 1.933 127 A HA -0.006 4.292 4.320 -0.037 0.000 0.218 127 A C 2.198 179.781 177.584 -0.001 0.000 1.175 127 A CA 1.780 53.817 52.037 0.001 0.000 0.628 127 A CB -0.863 18.138 19.000 0.001 0.000 0.814 127 A HN 0.402 nan 8.150 nan 0.000 0.444 128 V N 0.229 120.139 119.914 -0.007 0.000 2.427 128 V HA -0.185 3.913 4.120 -0.037 0.000 0.248 128 V C 2.533 178.624 176.094 -0.004 0.000 1.051 128 V CA 2.046 64.341 62.300 -0.009 0.000 1.048 128 V CB -0.662 31.149 31.823 -0.019 0.000 0.666 128 V HN 0.496 nan 8.190 nan 0.000 0.456 129 E N -0.026 120.172 120.200 -0.003 0.000 2.047 129 E HA -0.200 4.127 4.350 -0.037 0.000 0.191 129 E C 2.198 178.800 176.600 0.004 0.000 0.987 129 E CA 1.004 57.403 56.400 -0.000 0.000 0.799 129 E CB -0.334 29.366 29.700 -0.000 0.000 0.752 129 E HN 0.541 nan 8.360 nan 0.000 0.449 130 E N 0.476 120.679 120.200 0.005 0.000 2.209 130 E HA -0.135 4.193 4.350 -0.037 0.000 0.196 130 E C 1.780 178.387 176.600 0.011 0.000 0.993 130 E CA 0.296 56.701 56.400 0.009 0.000 0.819 130 E CB -0.171 29.535 29.700 0.010 0.000 0.745 130 E HN 0.050 nan 8.360 nan 0.000 0.477 131 L N 0.377 121.605 121.223 0.009 0.000 2.156 131 L HA -0.036 4.282 4.340 -0.037 0.000 0.208 131 L C 1.687 178.563 176.870 0.010 0.000 1.095 131 L CA 1.654 56.500 54.840 0.010 0.000 0.770 131 L CB -0.206 41.857 42.059 0.007 0.000 0.914 131 L HN -0.008 nan 8.230 nan 0.000 0.439 132 K N -1.095 119.309 120.400 0.007 0.000 2.103 132 K HA -0.024 4.274 4.320 -0.037 0.000 0.204 132 K C 2.072 178.678 176.600 0.010 0.000 1.052 132 K CA 1.094 57.385 56.287 0.008 0.000 0.945 132 K CB -0.227 32.276 32.500 0.005 0.000 0.722 132 K HN 0.337 nan 8.250 nan 0.000 0.443 133 A N 1.637 124.464 122.820 0.011 0.000 1.898 133 A HA -0.116 4.182 4.320 -0.037 0.000 0.216 133 A C 2.016 179.609 177.584 0.015 0.000 1.181 133 A CA 0.917 52.962 52.037 0.012 0.000 0.620 133 A CB -0.493 18.514 19.000 0.012 0.000 0.819 133 A HN 0.208 nan 8.150 nan 0.000 0.442 134 L N 0.159 121.392 121.223 0.017 0.000 2.141 134 L HA -0.018 4.300 4.340 -0.037 0.000 0.209 134 L C 1.288 178.170 176.870 0.020 0.000 1.094 134 L CA 1.404 56.257 54.840 0.022 0.000 0.763 134 L CB -1.082 40.991 42.059 0.023 0.000 0.908 134 L HN 0.389 nan 8.230 nan 0.000 0.437 135 S N -0.449 115.261 115.700 0.017 0.000 2.558 135 S HA 0.122 4.569 4.470 -0.037 0.000 0.288 135 S C -0.178 174.431 174.600 0.015 0.000 1.318 135 S CA -0.346 57.863 58.200 0.015 0.000 1.056 135 S CB 0.556 63.764 63.200 0.013 0.000 0.853 135 S HN 0.091 nan 8.310 nan 0.000 0.505 136 V N 8.134 128.057 119.914 0.015 0.000 2.448 136 V HA 0.404 4.502 4.120 -0.037 0.000 0.295 136 V C -2.112 173.990 176.094 0.013 0.000 1.025 136 V CA -1.887 60.421 62.300 0.015 0.000 0.859 136 V CB 1.560 33.392 31.823 0.016 0.000 0.988 136 V HN 0.775 nan 8.190 nan 0.000 0.431 137 P HA 0.103 nan 4.420 nan 0.000 0.268 137 P C -0.624 176.682 177.300 0.010 0.000 1.208 137 P CA -0.118 62.989 63.100 0.011 0.000 0.777 137 P CB 0.407 32.113 31.700 0.010 0.000 0.875 138 C N 2.497 121.803 119.300 0.010 0.000 3.287 138 C HA 0.447 4.885 4.460 -0.037 0.000 0.260 138 C C 1.038 176.033 174.990 0.009 0.000 1.133 138 C CA 0.124 59.147 59.018 0.009 0.000 1.402 138 C CB -1.333 26.413 27.740 0.010 0.000 1.832 138 C HN 0.563 nan 8.230 nan 0.000 0.509 139 S N 1.420 117.125 115.700 0.008 0.000 2.811 139 S HA 0.125 4.573 4.470 -0.037 0.000 0.237 139 S C 0.323 174.927 174.600 0.006 0.000 1.038 139 S CA 0.132 58.337 58.200 0.007 0.000 0.881 139 S CB -0.211 62.993 63.200 0.007 0.000 0.815 139 S HN 0.938 nan 8.310 nan 0.000 0.582 140 D N 2.666 123.069 120.400 0.005 0.000 2.449 140 D HA 0.011 4.629 4.640 -0.037 0.000 0.236 140 D C 0.924 177.227 176.300 0.003 0.000 1.149 140 D CA 0.482 54.484 54.000 0.004 0.000 0.878 140 D CB 0.819 41.622 40.800 0.004 0.000 1.198 140 D HN 0.282 nan 8.370 nan 0.000 0.446 141 S N 1.289 116.990 115.700 0.002 0.000 2.500 141 S HA -0.226 4.222 4.470 -0.037 0.000 0.239 141 S C 1.546 176.147 174.600 0.001 0.000 0.989 141 S CA 0.801 59.002 58.200 0.001 0.000 0.951 141 S CB -0.275 62.925 63.200 0.000 0.000 0.759 141 S HN 0.658 nan 8.310 nan 0.000 0.523 142 K N 1.531 121.932 120.400 0.001 0.000 2.062 142 K HA 0.068 4.366 4.320 -0.037 0.000 0.205 142 K C 2.268 178.869 176.600 0.001 0.000 1.051 142 K CA 1.020 57.308 56.287 0.001 0.000 0.941 142 K CB -0.518 31.983 32.500 0.002 0.000 0.719 142 K HN 0.430 nan 8.250 nan 0.000 0.440 143 A N 1.504 124.325 122.820 0.003 0.000 1.872 143 A HA -0.062 4.236 4.320 -0.037 0.000 0.214 143 A C 2.053 179.638 177.584 0.003 0.000 1.187 143 A CA 1.094 53.133 52.037 0.003 0.000 0.614 143 A CB -0.525 18.478 19.000 0.005 0.000 0.826 143 A HN 0.313 nan 8.150 nan 0.000 0.442 144 I N 0.003 120.575 120.570 0.003 0.000 2.248 144 I HA -0.348 3.800 4.170 -0.037 0.000 0.248 144 I C 2.922 179.039 176.117 -0.001 0.000 1.107 144 I CA 1.181 62.482 61.300 0.002 0.000 1.373 144 I CB -0.375 37.626 38.000 0.001 0.000 1.055 144 I HN 0.391 nan 8.210 nan 0.000 0.418 145 A N 0.386 123.205 122.820 -0.002 0.000 1.873 145 A HA -0.227 4.070 4.320 -0.037 0.000 0.215 145 A C 2.262 179.844 177.584 -0.004 0.000 1.186 145 A CA 1.381 53.416 52.037 -0.004 0.000 0.616 145 A CB -0.590 18.407 19.000 -0.004 0.000 0.823 145 A HN 0.469 nan 8.150 nan 0.000 0.442 146 Q N -0.319 119.480 119.800 -0.002 0.000 2.061 146 Q HA -0.141 4.177 4.340 -0.037 0.000 0.204 146 Q C 2.159 178.158 176.000 -0.002 0.000 0.984 146 Q CA 1.771 57.572 55.803 -0.002 0.000 0.846 146 Q CB -0.512 28.226 28.738 -0.000 0.000 0.902 146 Q HN 0.479 nan 8.270 nan 0.000 0.421 147 V N 0.850 120.764 119.914 -0.000 0.000 2.261 147 V HA -0.221 3.877 4.120 -0.037 0.000 0.246 147 V C 2.328 178.421 176.094 -0.002 0.000 1.047 147 V CA 2.062 64.363 62.300 0.001 0.000 1.015 147 V CB -1.342 30.484 31.823 0.004 0.000 0.642 147 V HN 0.565 nan 8.190 nan 0.000 0.446 148 G N -0.419 108.379 108.800 -0.004 0.000 2.440 148 G HA2 -0.267 3.671 3.960 -0.037 0.000 0.218 148 G HA3 -0.267 3.671 3.960 -0.037 0.000 0.218 148 G C 1.677 176.571 174.900 -0.010 0.000 1.154 148 G CA 1.670 46.765 45.100 -0.008 0.000 0.767 148 G HN 0.489 nan 8.290 nan 0.000 0.552 149 T N 1.239 115.788 114.554 -0.008 0.000 2.777 149 T HA -0.015 4.312 4.350 -0.037 0.000 0.266 149 T C 2.379 177.073 174.700 -0.009 0.000 1.040 149 T CA 0.939 63.034 62.100 -0.009 0.000 1.141 149 T CB -0.116 68.747 68.868 -0.008 0.000 0.868 149 T HN 0.277 nan 8.240 nan 0.000 0.444 150 I N 1.236 121.802 120.570 -0.008 0.000 2.315 150 I HA -0.121 4.027 4.170 -0.037 0.000 0.248 150 I C 2.499 178.612 176.117 -0.008 0.000 1.117 150 I CA 0.878 62.173 61.300 -0.008 0.000 1.404 150 I CB -0.291 37.704 38.000 -0.008 0.000 1.071 150 I HN 0.182 nan 8.210 nan 0.000 0.419 151 S N 0.924 116.621 115.700 -0.005 0.000 2.428 151 S HA 0.016 4.464 4.470 -0.037 0.000 0.230 151 S C 1.956 176.552 174.600 -0.006 0.000 1.014 151 S CA 0.954 59.153 58.200 -0.002 0.000 0.957 151 S CB -0.152 63.050 63.200 0.002 0.000 0.784 151 S HN 0.497 nan 8.310 nan 0.000 0.499 152 A N 1.290 124.104 122.820 -0.010 0.000 2.276 152 A HA 0.287 4.585 4.320 -0.037 0.000 0.212 152 A C 0.785 178.362 177.584 -0.011 0.000 1.230 152 A CA 0.216 52.245 52.037 -0.012 0.000 0.844 152 A CB -0.721 18.270 19.000 -0.015 0.000 0.860 152 A HN 0.493 nan 8.150 nan 0.000 0.486 153 N N -1.422 117.272 118.700 -0.010 0.000 2.816 153 N HA -0.205 4.513 4.740 -0.037 0.000 0.247 153 N C 0.169 175.672 175.510 -0.012 0.000 1.100 153 N CA 1.057 54.100 53.050 -0.011 0.000 0.687 153 N CB -1.854 36.627 38.487 -0.010 0.000 1.003 153 N HN 0.422 nan 8.380 nan 0.000 0.554 154 S N -1.561 114.132 115.700 -0.012 0.000 3.482 154 S HA -0.213 4.235 4.470 -0.037 0.000 0.294 154 S C -0.456 174.137 174.600 -0.010 0.000 1.244 154 S CA 0.757 58.951 58.200 -0.011 0.000 0.911 154 S CB -1.062 62.131 63.200 -0.013 0.000 1.070 154 S HN 0.723 nan 8.310 nan 0.000 0.614 155 D N 1.356 121.750 120.400 -0.011 0.000 2.441 155 D HA 0.270 4.888 4.640 -0.037 0.000 0.221 155 D C 1.087 177.381 176.300 -0.010 0.000 1.156 155 D CA -0.235 53.759 54.000 -0.010 0.000 0.896 155 D CB 0.514 41.308 40.800 -0.011 0.000 1.028 155 D HN 0.471 nan 8.370 nan 0.000 0.509 156 E N 1.124 121.319 120.200 -0.009 0.000 2.171 156 E HA -0.169 4.158 4.350 -0.037 0.000 0.197 156 E C 1.509 178.104 176.600 -0.009 0.000 0.997 156 E CA 1.297 57.692 56.400 -0.008 0.000 0.810 156 E CB 0.252 29.948 29.700 -0.007 0.000 0.738 156 E HN 0.476 nan 8.360 nan 0.000 0.467 157 T N 0.624 115.173 114.554 -0.009 0.000 2.720 157 T HA -0.154 4.174 4.350 -0.037 0.000 0.268 157 T C 2.080 176.773 174.700 -0.012 0.000 1.037 157 T CA 1.335 63.429 62.100 -0.010 0.000 1.144 157 T CB -0.225 68.637 68.868 -0.010 0.000 0.864 157 T HN 0.011 nan 8.240 nan 0.000 0.444 158 V N 1.397 121.302 119.914 -0.014 0.000 2.358 158 V HA -0.068 4.030 4.120 -0.037 0.000 0.246 158 V C 2.898 178.982 176.094 -0.017 0.000 1.047 158 V CA 1.850 64.139 62.300 -0.018 0.000 1.035 158 V CB -1.478 30.333 31.823 -0.020 0.000 0.658 158 V HN 0.584 nan 8.190 nan 0.000 0.452 159 G N -0.115 108.677 108.800 -0.014 0.000 2.446 159 G HA2 -0.337 3.601 3.960 -0.037 0.000 0.217 159 G HA3 -0.337 3.601 3.960 -0.037 0.000 0.217 159 G C 1.633 176.526 174.900 -0.011 0.000 1.168 159 G CA 1.254 46.347 45.100 -0.011 0.000 0.771 159 G HN 0.498 nan 8.290 nan 0.000 0.551 160 K N -0.015 120.379 120.400 -0.010 0.000 1.991 160 K HA -0.017 4.281 4.320 -0.037 0.000 0.212 160 K C 2.577 179.170 176.600 -0.010 0.000 1.049 160 K CA 1.157 57.439 56.287 -0.009 0.000 0.932 160 K CB -0.391 32.104 32.500 -0.008 0.000 0.717 160 K HN 0.316 nan 8.250 nan 0.000 0.441 161 L N 1.030 122.246 121.223 -0.013 0.000 1.978 161 L HA -0.279 4.038 4.340 -0.037 0.000 0.218 161 L C 2.520 179.380 176.870 -0.016 0.000 1.075 161 L CA 1.711 56.542 54.840 -0.015 0.000 0.767 161 L CB -0.380 41.668 42.059 -0.018 0.000 0.890 161 L HN 0.325 nan 8.230 nan 0.000 0.434 162 I N -0.876 119.683 120.570 -0.019 0.000 2.226 162 I HA -0.310 3.838 4.170 -0.037 0.000 0.245 162 I C 2.712 178.821 176.117 -0.013 0.000 1.100 162 I CA 1.146 62.434 61.300 -0.020 0.000 1.374 162 I CB -0.491 37.495 38.000 -0.024 0.000 1.057 162 I HN 0.271 nan 8.210 nan 0.000 0.413 163 A N 0.694 123.508 122.820 -0.010 0.000 1.877 163 A HA -0.218 4.080 4.320 -0.037 0.000 0.216 163 A C 2.206 179.787 177.584 -0.006 0.000 1.186 163 A CA 1.695 53.728 52.037 -0.007 0.000 0.620 163 A CB -0.581 18.416 19.000 -0.005 0.000 0.822 163 A HN 0.462 nan 8.150 nan 0.000 0.443 164 E N -0.099 120.096 120.200 -0.007 0.000 2.077 164 E HA -0.102 4.226 4.350 -0.037 0.000 0.193 164 E C 2.304 178.900 176.600 -0.007 0.000 0.989 164 E CA 0.922 57.318 56.400 -0.006 0.000 0.800 164 E CB -0.324 29.372 29.700 -0.007 0.000 0.746 164 E HN 0.611 nan 8.360 nan 0.000 0.452 165 A N 1.407 124.222 122.820 -0.009 0.000 1.902 165 A HA -0.172 4.126 4.320 -0.037 0.000 0.217 165 A C 2.192 179.772 177.584 -0.006 0.000 1.181 165 A CA 1.347 53.379 52.037 -0.009 0.000 0.623 165 A CB -0.440 18.552 19.000 -0.014 0.000 0.818 165 A HN 0.133 nan 8.150 nan 0.000 0.443 166 M N -1.006 118.591 119.600 -0.006 0.000 2.229 166 M HA -0.141 4.317 4.480 -0.037 0.000 0.264 166 M C 1.798 178.098 176.300 -0.001 0.000 1.063 166 M CA 1.819 57.117 55.300 -0.002 0.000 1.114 166 M CB -0.466 32.133 32.600 -0.001 0.000 1.387 166 M HN 0.510 nan 8.290 nan 0.000 0.420 167 D N 0.521 120.920 120.400 -0.002 0.000 2.178 167 D HA -0.131 4.487 4.640 -0.037 0.000 0.202 167 D C 2.011 178.310 176.300 -0.001 0.000 0.974 167 D CA 1.114 55.113 54.000 -0.001 0.000 0.841 167 D CB 0.248 41.047 40.800 -0.002 0.000 0.953 167 D HN -0.007 nan 8.370 nan 0.000 0.478 168 K N -0.120 120.279 120.400 -0.002 0.000 2.025 168 K HA -0.041 4.256 4.320 -0.037 0.000 0.207 168 K C 2.048 178.648 176.600 -0.000 0.000 1.049 168 K CA 1.363 57.649 56.287 -0.001 0.000 0.933 168 K CB -0.322 32.176 32.500 -0.003 0.000 0.714 168 K HN 0.309 nan 8.250 nan 0.000 0.438 169 V N -3.381 116.533 119.914 0.001 0.000 3.660 169 V HA 0.369 4.466 4.120 -0.037 0.000 0.276 169 V C 0.717 176.814 176.094 0.004 0.000 1.317 169 V CA 0.365 62.666 62.300 0.003 0.000 1.097 169 V CB -0.189 31.636 31.823 0.003 0.000 0.863 169 V HN 0.353 nan 8.190 nan 0.000 0.438 170 G N 0.964 109.766 108.800 0.004 0.000 2.663 170 G HA2 -0.124 3.814 3.960 -0.037 0.000 0.686 170 G HA3 -0.124 3.814 3.960 -0.037 0.000 0.686 170 G C 0.070 174.974 174.900 0.007 0.000 1.288 170 G CA -0.082 45.021 45.100 0.005 0.000 0.836 170 G HN 0.128 nan 8.290 nan 0.000 0.584 171 K N 0.180 120.585 120.400 0.008 0.000 2.103 171 K HA -0.069 4.229 4.320 -0.037 0.000 0.207 171 K C 1.979 178.586 176.600 0.013 0.000 1.048 171 K CA 1.936 58.229 56.287 0.010 0.000 0.930 171 K CB -0.122 32.384 32.500 0.010 0.000 0.716 171 K HN 0.638 nan 8.250 nan 0.000 0.444 172 E N 0.471 120.679 120.200 0.012 0.000 2.489 172 E HA 0.049 4.376 4.350 -0.037 0.000 0.193 172 E C 1.051 177.660 176.600 0.015 0.000 1.057 172 E CA 0.004 56.413 56.400 0.015 0.000 0.866 172 E CB -0.160 29.548 29.700 0.014 0.000 0.916 172 E HN 0.222 nan 8.360 nan 0.000 0.500 173 G N 1.000 109.808 108.800 0.012 0.000 2.699 173 G HA2 0.196 4.133 3.960 -0.037 0.000 0.246 173 G HA3 0.196 4.133 3.960 -0.037 0.000 0.246 173 G C 0.011 174.919 174.900 0.014 0.000 1.219 173 G CA -0.453 44.654 45.100 0.012 0.000 0.866 173 G HN -0.003 nan 8.290 nan 0.000 0.572 174 V N 1.516 121.438 119.914 0.013 0.000 2.364 174 V HA 0.314 4.412 4.120 -0.037 0.000 0.272 174 V C 0.287 176.385 176.094 0.007 0.000 1.036 174 V CA -0.174 62.134 62.300 0.013 0.000 0.880 174 V CB 0.636 32.469 31.823 0.016 0.000 0.991 174 V HN 0.439 nan 8.190 nan 0.000 0.460 175 I N 4.208 124.780 120.570 0.004 0.000 2.441 175 I HA 0.539 4.687 4.170 -0.037 0.000 0.295 175 I C 0.207 176.317 176.117 -0.012 0.000 0.994 175 I CA -0.126 61.170 61.300 -0.007 0.000 1.144 175 I CB 2.177 40.169 38.000 -0.015 0.000 1.314 175 I HN 0.492 nan 8.210 nan 0.000 0.445 176 T N 4.755 119.299 114.554 -0.015 0.000 2.908 176 T HA 0.620 4.947 4.350 -0.037 0.000 0.290 176 T C -0.656 174.029 174.700 -0.026 0.000 1.034 176 T CA -0.522 61.568 62.100 -0.017 0.000 1.010 176 T CB 2.516 71.378 68.868 -0.010 0.000 1.068 176 T HN 0.209 nan 8.240 nan 0.000 0.481 177 V N 2.426 122.323 119.914 -0.028 0.000 2.531 177 V HA 0.541 4.638 4.120 -0.037 0.000 0.301 177 V C -0.484 175.598 176.094 -0.020 0.000 1.034 177 V CA -0.756 61.526 62.300 -0.030 0.000 0.865 177 V CB 1.827 33.621 31.823 -0.047 0.000 0.995 177 V HN 0.893 nan 8.190 nan 0.000 0.424 178 E N 1.853 122.043 120.200 -0.017 0.000 2.410 178 E HA 0.427 4.755 4.350 -0.037 0.000 0.269 178 E C -1.479 175.114 176.600 -0.012 0.000 0.937 178 E CA -1.087 55.306 56.400 -0.012 0.000 0.793 178 E CB 1.831 31.524 29.700 -0.011 0.000 1.314 178 E HN 0.587 nan 8.360 nan 0.000 0.447 179 D N 0.839 121.233 120.400 -0.009 0.000 2.423 179 D HA 0.134 4.752 4.640 -0.037 0.000 0.238 179 D C 0.080 176.375 176.300 -0.009 0.000 1.142 179 D CA 0.427 54.422 54.000 -0.008 0.000 0.884 179 D CB 0.935 41.731 40.800 -0.006 0.000 1.199 179 D HN 0.479 nan 8.370 nan 0.000 0.438 180 G N -0.499 108.295 108.800 -0.009 0.000 2.476 180 G HA2 0.262 4.200 3.960 -0.037 0.000 0.286 180 G HA3 0.262 4.200 3.960 -0.037 0.000 0.286 180 G C 1.123 176.018 174.900 -0.008 0.000 1.177 180 G CA -0.314 44.781 45.100 -0.009 0.000 0.870 180 G HN 0.439 nan 8.290 nan 0.000 0.528 181 T N -1.815 112.734 114.554 -0.008 0.000 3.023 181 T HA 0.397 4.725 4.350 -0.037 0.000 0.266 181 T C 1.201 175.898 174.700 -0.006 0.000 1.093 181 T CA 1.079 63.175 62.100 -0.007 0.000 1.129 181 T CB 0.024 68.887 68.868 -0.007 0.000 0.899 181 T HN 1.339 nan 8.240 nan 0.000 0.491 182 G N 0.468 109.264 108.800 -0.006 0.000 2.474 182 G HA2 0.419 4.357 3.960 -0.037 0.000 0.234 182 G HA3 0.419 4.357 3.960 -0.037 0.000 0.234 182 G C -1.795 173.102 174.900 -0.006 0.000 1.204 182 G CA -0.550 44.547 45.100 -0.006 0.000 0.939 182 G HN 0.311 nan 8.290 nan 0.000 0.491 183 L N 0.847 122.066 121.223 -0.006 0.000 2.397 183 L HA 0.628 4.946 4.340 -0.037 0.000 0.271 183 L C -0.294 176.573 176.870 -0.006 0.000 1.148 183 L CA 0.576 55.413 54.840 -0.006 0.000 0.825 183 L CB 0.334 42.390 42.059 -0.005 0.000 1.117 183 L HN 0.900 nan 8.230 nan 0.000 0.456 184 Q N 3.030 122.826 119.800 -0.007 0.000 2.418 184 Q HA -0.086 4.232 4.340 -0.037 0.000 0.226 184 Q C -1.177 174.819 176.000 -0.008 0.000 1.137 184 Q CA 0.064 55.863 55.803 -0.007 0.000 0.438 184 Q CB -0.112 28.622 28.738 -0.006 0.000 0.561 184 Q HN 0.726 nan 8.270 nan 0.000 0.320 185 D N 2.567 122.962 120.400 -0.009 0.000 2.369 185 D HA 0.209 4.826 4.640 -0.037 0.000 0.241 185 D C 0.089 176.384 176.300 -0.009 0.000 1.271 185 D CA 0.402 54.397 54.000 -0.010 0.000 0.942 185 D CB 0.643 41.436 40.800 -0.011 0.000 1.129 185 D HN 0.365 nan 8.370 nan 0.000 0.476 186 E N -0.624 119.570 120.200 -0.010 0.000 2.343 186 E HA 0.491 4.819 4.350 -0.037 0.000 0.278 186 E C -1.343 175.251 176.600 -0.010 0.000 0.910 186 E CA -0.760 55.635 56.400 -0.009 0.000 0.757 186 E CB 2.453 32.148 29.700 -0.009 0.000 1.218 186 E HN 0.089 nan 8.360 nan 0.000 0.435 187 L N 3.064 124.281 121.223 -0.009 0.000 2.431 187 L HA 0.598 4.915 4.340 -0.037 0.000 0.266 187 L C -2.138 174.727 176.870 -0.008 0.000 0.978 187 L CA -0.250 54.585 54.840 -0.009 0.000 0.822 187 L CB 1.785 43.839 42.059 -0.009 0.000 1.310 187 L HN 0.585 nan 8.230 nan 0.000 0.409 188 D N 3.623 124.018 120.400 -0.007 0.000 2.747 188 D HA 0.218 4.836 4.640 -0.037 0.000 0.218 188 D C -1.288 175.009 176.300 -0.005 0.000 1.230 188 D CA -0.405 53.592 54.000 -0.006 0.000 0.774 188 D CB 1.462 42.258 40.800 -0.006 0.000 1.667 188 D HN 0.296 nan 8.370 nan 0.000 0.499 189 V N 0.892 120.804 119.914 -0.004 0.000 2.432 189 V HA 0.410 4.508 4.120 -0.037 0.000 0.271 189 V C 0.883 176.976 176.094 -0.002 0.000 1.046 189 V CA -0.615 61.684 62.300 -0.002 0.000 0.945 189 V CB 0.817 32.639 31.823 -0.001 0.000 0.992 189 V HN 0.550 nan 8.190 nan 0.000 0.471 190 V N 1.929 121.842 119.914 -0.001 0.000 2.769 190 V HA 0.655 4.753 4.120 -0.037 0.000 0.312 190 V C 0.085 176.181 176.094 0.002 0.000 1.058 190 V CA -1.030 61.270 62.300 -0.001 0.000 0.952 190 V CB 1.844 33.666 31.823 -0.003 0.000 1.019 190 V HN 0.689 nan 8.190 nan 0.000 0.445 191 E N 1.847 122.048 120.200 0.002 0.000 2.529 191 E HA 0.487 4.815 4.350 -0.037 0.000 0.259 191 E C 0.333 176.939 176.600 0.010 0.000 0.966 191 E CA 1.302 57.705 56.400 0.005 0.000 0.937 191 E CB 0.724 30.426 29.700 0.003 0.000 0.923 191 E HN 1.269 nan 8.360 nan 0.000 0.468 192 G N 1.383 110.193 108.800 0.017 0.000 2.451 192 G HA2 0.490 4.428 3.960 -0.037 0.000 0.292 192 G HA3 0.490 4.428 3.960 -0.037 0.000 0.292 192 G C -1.269 173.655 174.900 0.039 0.000 1.427 192 G CA -0.654 44.462 45.100 0.027 0.000 0.792 192 G HN 0.403 nan 8.290 nan 0.000 0.498 193 M N -0.308 119.330 119.600 0.062 0.000 2.721 193 M HA 0.712 5.170 4.480 -0.037 0.000 0.271 193 M C -2.152 174.220 176.300 0.120 0.000 1.259 193 M CA -0.756 54.598 55.300 0.090 0.000 0.835 193 M CB 2.557 35.220 32.600 0.105 0.000 1.689 193 M HN 0.727 nan 8.290 nan 0.000 0.470 194 Q N 2.740 122.625 119.800 0.143 0.000 2.268 194 Q HA 0.531 4.849 4.340 -0.037 0.000 0.266 194 Q C -2.263 173.850 176.000 0.188 0.000 1.006 194 Q CA -0.635 55.230 55.803 0.103 0.000 0.824 194 Q CB 1.797 30.547 28.738 0.020 0.000 1.306 194 Q HN 0.584 nan 8.270 nan 0.000 0.424 195 F N 0.166 120.118 119.950 0.003 0.000 2.579 195 F HA 0.567 5.071 4.527 -0.038 0.000 0.324 195 F C -0.339 175.462 175.800 0.001 0.000 1.058 195 F CA -1.314 56.689 58.000 0.004 0.000 0.944 195 F CB 0.948 39.952 39.000 0.006 0.000 1.245 195 F HN 0.295 nan 8.300 nan 0.000 0.477 196 D N 3.269 123.757 120.400 0.146 0.000 2.608 196 D HA 0.191 4.809 4.640 -0.037 0.000 0.224 196 D C -0.194 176.133 176.300 0.046 0.000 1.123 196 D CA 0.262 54.285 54.000 0.039 0.000 1.030 196 D CB -0.063 40.774 40.800 0.062 0.000 1.093 196 D HN 0.304 nan 8.370 nan 0.000 0.497 197 R N 0.331 120.788 120.500 -0.073 0.000 2.566 197 R HA 0.532 4.850 4.340 -0.037 0.000 0.271 197 R C 0.137 176.334 176.300 -0.170 0.000 1.071 197 R CA -0.713 55.367 56.100 -0.034 0.000 0.915 197 R CB 2.165 32.564 30.300 0.166 0.000 1.228 197 R HN 0.287 nan 8.270 nan 0.000 0.449 198 G N 0.763 109.466 108.800 -0.162 0.000 2.753 198 G HA2 0.465 4.403 3.960 -0.037 0.000 0.285 198 G HA3 0.465 4.403 3.960 -0.037 0.000 0.285 198 G C -0.812 173.993 174.900 -0.159 0.000 1.344 198 G CA -0.563 44.364 45.100 -0.288 0.000 1.050 198 G HN 0.442 nan 8.290 nan 0.000 0.532 199 Y N -0.673 119.662 120.300 0.058 0.000 2.620 199 Y HA 0.322 4.852 4.550 -0.033 0.000 0.330 199 Y C 1.115 177.124 175.900 0.183 0.000 1.186 199 Y CA -1.183 57.011 58.100 0.156 0.000 1.467 199 Y CB 0.327 38.924 38.460 0.229 0.000 1.262 199 Y HN 0.173 nan 8.280 nan 0.000 0.550 200 L N 2.919 124.410 121.223 0.447 0.000 2.711 200 L HA 0.051 4.368 4.340 -0.037 0.000 0.242 200 L C 0.518 177.600 176.870 0.354 0.000 1.153 200 L CA 0.908 55.955 54.840 0.344 0.000 0.898 200 L CB -0.597 41.642 42.059 0.299 0.000 1.044 200 L HN 0.863 nan 8.230 nan 0.000 0.437 201 S N -2.318 113.645 115.700 0.437 0.000 2.709 201 S HA 0.244 4.692 4.470 -0.037 0.000 0.305 201 S C -2.673 171.840 174.600 -0.145 0.000 0.974 201 S CA -1.016 57.269 58.200 0.141 0.000 0.837 201 S CB 1.078 64.243 63.200 -0.058 0.000 1.032 201 S HN -0.221 nan 8.310 nan 0.000 0.461 202 P HA 0.343 nan 4.420 nan 0.000 0.330 202 P C 0.267 177.246 177.300 -0.535 0.000 1.377 202 P CA 0.640 63.258 63.100 -0.804 0.000 0.793 202 P CB -0.034 31.217 31.700 -0.748 0.000 1.813 203 Y N -4.795 115.282 120.300 -0.371 0.000 3.062 203 Y HA -0.290 4.254 4.550 -0.010 0.000 0.481 203 Y C 1.805 177.579 175.900 -0.210 0.000 1.129 203 Y CA 1.485 59.407 58.100 -0.297 0.000 2.748 203 Y CB -2.991 35.245 38.460 -0.374 0.000 0.834 203 Y HN 0.109 nan 8.280 nan 0.000 0.534 204 F N 0.412 120.354 119.950 -0.014 0.000 2.546 204 F HA 0.047 4.557 4.527 -0.029 0.000 0.298 204 F C 1.401 177.170 175.800 -0.051 0.000 1.120 204 F CA 0.171 58.166 58.000 -0.008 0.000 1.456 204 F CB -0.479 38.531 39.000 0.016 0.000 1.088 204 F HN -0.030 nan 8.300 nan 0.000 0.572 205 I N 2.263 122.832 120.570 -0.002 0.000 2.662 205 I HA -0.127 4.021 4.170 -0.037 0.000 0.285 205 I C 0.624 176.746 176.117 0.008 0.000 1.161 205 I CA 0.329 61.605 61.300 -0.041 0.000 1.415 205 I CB 0.220 38.116 38.000 -0.173 0.000 1.385 205 I HN 0.158 nan 8.210 nan 0.000 0.552 206 N N 4.895 123.615 118.700 0.033 0.000 2.171 206 N HA 0.067 4.785 4.740 -0.037 0.000 0.212 206 N C -0.126 175.397 175.510 0.021 0.000 1.184 206 N CA -0.170 52.900 53.050 0.032 0.000 0.888 206 N CB 0.525 39.039 38.487 0.045 0.000 1.038 206 N HN 0.283 nan 8.380 nan 0.000 0.517 207 K N 1.416 121.827 120.400 0.018 0.000 2.842 207 K HA 0.274 4.572 4.320 -0.037 0.000 0.176 207 K C -2.089 174.516 176.600 0.009 0.000 1.080 207 K CA -1.519 54.777 56.287 0.016 0.000 0.954 207 K CB 2.073 34.588 32.500 0.025 0.000 1.203 207 K HN 0.020 nan 8.250 nan 0.000 0.611 208 P HA -0.199 nan 4.420 nan 0.000 0.220 208 P C 0.343 177.639 177.300 -0.005 0.000 1.144 208 P CA 1.378 64.469 63.100 -0.015 0.000 0.800 208 P CB 0.559 32.248 31.700 -0.018 0.000 0.772 209 E N -0.147 120.056 120.200 0.004 0.000 2.072 209 E HA -0.074 4.253 4.350 -0.037 0.000 0.190 209 E C 1.935 178.544 176.600 0.016 0.000 0.982 209 E CA 1.550 57.955 56.400 0.008 0.000 0.803 209 E CB -1.503 28.203 29.700 0.010 0.000 0.755 209 E HN 0.243 nan 8.360 nan 0.000 0.453 210 T N -0.731 113.837 114.554 0.023 0.000 3.067 210 T HA 0.200 4.528 4.350 -0.037 0.000 0.257 210 T C 1.322 176.047 174.700 0.042 0.000 1.105 210 T CA 0.453 62.575 62.100 0.036 0.000 1.104 210 T CB 0.023 68.916 68.868 0.041 0.000 0.925 210 T HN 0.401 nan 8.240 nan 0.000 0.498 211 G N 1.668 110.487 108.800 0.032 0.000 2.305 211 G HA2 0.012 3.949 3.960 -0.037 0.000 0.287 211 G HA3 0.012 3.949 3.960 -0.037 0.000 0.287 211 G C 0.078 175.043 174.900 0.108 0.000 1.036 211 G CA 0.150 45.275 45.100 0.041 0.000 0.887 211 G HN 0.945 nan 8.290 nan 0.000 0.505 212 A N -1.606 121.269 122.820 0.091 0.000 2.486 212 A HA 0.930 5.228 4.320 -0.037 0.000 0.289 212 A C -0.229 177.417 177.584 0.104 0.000 1.176 212 A CA -0.229 51.892 52.037 0.139 0.000 0.757 212 A CB 1.835 20.893 19.000 0.097 0.000 1.337 212 A HN 1.203 nan 8.150 nan 0.000 0.423 213 V N 0.758 120.751 119.914 0.132 0.000 2.472 213 V HA 0.564 4.661 4.120 -0.037 0.000 0.290 213 V C -0.020 176.110 176.094 0.059 0.000 1.037 213 V CA -0.297 62.063 62.300 0.100 0.000 0.908 213 V CB 1.338 33.240 31.823 0.131 0.000 0.985 213 V HN 0.889 nan 8.190 nan 0.000 0.454 214 E N 4.401 124.626 120.200 0.042 0.000 2.316 214 E HA 0.518 4.846 4.350 -0.037 0.000 0.254 214 E C -1.731 174.879 176.600 0.016 0.000 0.902 214 E CA -0.491 55.923 56.400 0.024 0.000 0.801 214 E CB 1.255 30.968 29.700 0.021 0.000 1.270 214 E HN 0.643 nan 8.360 nan 0.000 0.414 215 L N 3.447 124.674 121.223 0.006 0.000 2.329 215 L HA 0.527 4.845 4.340 -0.037 0.000 0.279 215 L C -0.093 176.769 176.870 -0.014 0.000 1.014 215 L CA -0.858 53.982 54.840 -0.001 0.000 0.814 215 L CB 1.751 43.807 42.059 -0.005 0.000 1.257 215 L HN 0.437 nan 8.230 nan 0.000 0.424 216 E N 1.483 121.671 120.200 -0.020 0.000 2.166 216 E HA 0.288 4.616 4.350 -0.037 0.000 0.275 216 E C -0.285 176.278 176.600 -0.062 0.000 0.941 216 E CA -0.598 55.781 56.400 -0.034 0.000 0.784 216 E CB 1.668 31.354 29.700 -0.024 0.000 1.115 216 E HN 0.616 nan 8.360 nan 0.000 0.399 217 S N 1.802 117.452 115.700 -0.083 0.000 3.559 217 S HA -0.125 4.323 4.470 -0.037 0.000 0.369 217 S C -2.063 172.403 174.600 -0.223 0.000 0.987 217 S CA 0.405 58.520 58.200 -0.142 0.000 1.187 217 S CB -1.350 61.770 63.200 -0.134 0.000 0.914 217 S HN 0.502 nan 8.310 nan 0.000 0.480 218 P HA 0.536 nan 4.420 nan 0.000 0.278 218 P C -0.150 177.004 177.300 -0.243 0.000 1.266 218 P CA -0.640 62.364 63.100 -0.160 0.000 0.807 218 P CB 0.559 32.233 31.700 -0.043 0.000 1.094 219 F N -0.213 119.737 119.950 -0.000 0.000 2.399 219 F HA 0.449 4.953 4.527 -0.038 0.000 0.328 219 F C 0.789 176.589 175.800 0.001 0.000 1.084 219 F CA -0.400 57.600 58.000 0.001 0.000 1.053 219 F CB 0.858 39.858 39.000 -0.001 0.000 1.209 219 F HN 0.022 nan 8.300 nan 0.000 0.502 220 I N 4.212 124.905 120.570 0.206 0.000 2.410 220 I HA 0.230 4.378 4.170 -0.037 0.000 0.286 220 I C -1.216 174.958 176.117 0.095 0.000 1.009 220 I CA -0.896 60.475 61.300 0.117 0.000 1.111 220 I CB 1.663 39.712 38.000 0.082 0.000 1.262 220 I HN 0.255 nan 8.210 nan 0.000 0.443 221 L N 8.435 129.699 121.223 0.068 0.000 2.260 221 L HA 0.431 4.749 4.340 -0.037 0.000 0.289 221 L C -0.800 176.086 176.870 0.027 0.000 1.057 221 L CA 0.091 54.954 54.840 0.039 0.000 0.811 221 L CB 0.514 42.588 42.059 0.024 0.000 1.184 221 L HN 0.455 nan 8.230 nan 0.000 0.429 222 L N 6.615 127.847 121.223 0.016 0.000 2.297 222 L HA 0.648 4.965 4.340 -0.037 0.000 0.277 222 L C 0.019 176.887 176.870 -0.003 0.000 1.040 222 L CA -0.423 54.417 54.840 0.001 0.000 0.867 222 L CB 0.916 42.969 42.059 -0.010 0.000 1.244 222 L HN 0.783 nan 8.230 nan 0.000 0.433 223 A N 1.740 124.560 122.820 0.001 0.000 2.285 223 A HA 0.338 4.636 4.320 -0.037 0.000 0.310 223 A C -0.400 177.184 177.584 0.001 0.000 1.266 223 A CA -0.550 51.488 52.037 0.002 0.000 0.832 223 A CB 0.708 19.713 19.000 0.008 0.000 1.163 223 A HN 0.682 nan 8.150 nan 0.000 0.499 224 D N 2.762 123.160 120.400 -0.004 0.000 2.508 224 D HA 0.423 5.040 4.640 -0.037 0.000 0.224 224 D C -0.114 176.189 176.300 0.005 0.000 1.171 224 D CA 0.337 54.335 54.000 -0.004 0.000 1.006 224 D CB -0.540 40.253 40.800 -0.011 0.000 1.073 224 D HN 0.611 nan 8.370 nan 0.000 0.513 225 K N 0.045 120.452 120.400 0.013 0.000 3.120 225 K HA 0.143 4.440 4.320 -0.037 0.000 0.337 225 K C -1.473 175.142 176.600 0.025 0.000 1.147 225 K CA -0.968 55.330 56.287 0.018 0.000 0.901 225 K CB 0.066 32.575 32.500 0.014 0.000 1.386 225 K HN -0.072 nan 8.250 nan 0.000 0.391 226 K N 1.500 121.917 120.400 0.029 0.000 2.326 226 K HA 0.353 4.650 4.320 -0.037 0.000 0.275 226 K C -0.340 176.279 176.600 0.032 0.000 1.018 226 K CA -0.209 56.098 56.287 0.034 0.000 0.962 226 K CB 0.424 32.945 32.500 0.035 0.000 0.953 226 K HN 0.447 nan 8.250 nan 0.000 0.475 227 I N 2.243 122.836 120.570 0.037 0.000 2.382 227 I HA 0.062 4.209 4.170 -0.037 0.000 0.285 227 I C 0.344 176.485 176.117 0.040 0.000 1.007 227 I CA -0.092 61.229 61.300 0.035 0.000 1.142 227 I CB 1.758 39.781 38.000 0.037 0.000 1.289 227 I HN 0.635 nan 8.210 nan 0.000 0.453 228 S N 3.658 119.378 115.700 0.032 0.000 2.524 228 S HA 0.235 4.682 4.470 -0.037 0.000 0.222 228 S C 0.418 175.034 174.600 0.028 0.000 1.040 228 S CA -0.116 58.104 58.200 0.032 0.000 0.915 228 S CB 0.197 63.413 63.200 0.027 0.000 0.831 228 S HN 0.593 nan 8.310 nan 0.000 0.492 229 N N 1.275 119.990 118.700 0.024 0.000 2.399 229 N HA 0.350 5.068 4.740 -0.037 0.000 0.280 229 N C -0.642 174.880 175.510 0.020 0.000 1.008 229 N CA -0.254 52.808 53.050 0.020 0.000 0.894 229 N CB 1.973 40.468 38.487 0.014 0.000 1.273 229 N HN 0.081 nan 8.380 nan 0.000 0.486 230 I N 1.801 122.384 120.570 0.021 0.000 3.551 230 I HA -0.028 4.120 4.170 -0.037 0.000 0.307 230 I C 1.958 178.083 176.117 0.013 0.000 1.215 230 I CA 0.392 61.704 61.300 0.021 0.000 1.195 230 I CB -0.085 37.930 38.000 0.025 0.000 0.998 230 I HN 0.390 nan 8.210 nan 0.000 0.510 231 R N 0.468 120.974 120.500 0.010 0.000 2.100 231 R HA -0.071 4.247 4.340 -0.037 0.000 0.220 231 R C 1.704 178.006 176.300 0.003 0.000 1.091 231 R CA 1.064 57.168 56.100 0.006 0.000 0.986 231 R CB 0.115 30.418 30.300 0.005 0.000 0.888 231 R HN 0.468 nan 8.270 nan 0.000 0.444 232 E N -0.086 120.117 120.200 0.005 0.000 2.274 232 E HA -0.117 4.211 4.350 -0.037 0.000 0.194 232 E C 1.874 178.473 176.600 -0.001 0.000 0.996 232 E CA 0.692 57.093 56.400 0.002 0.000 0.840 232 E CB 0.120 29.823 29.700 0.004 0.000 0.772 232 E HN 0.255 nan 8.360 nan 0.000 0.491 233 M N 0.476 120.077 119.600 0.003 0.000 2.156 233 M HA -0.080 4.378 4.480 -0.037 0.000 0.264 233 M C 2.338 178.634 176.300 -0.006 0.000 1.067 233 M CA 1.173 56.473 55.300 0.001 0.000 1.131 233 M CB -0.911 31.695 32.600 0.011 0.000 1.368 233 M HN 0.168 nan 8.290 nan 0.000 0.416 234 L N 0.462 121.683 121.223 -0.003 0.000 2.040 234 L HA -0.285 4.032 4.340 -0.037 0.000 0.228 234 L C -0.221 176.639 176.870 -0.016 0.000 1.092 234 L CA 2.167 57.003 54.840 -0.007 0.000 0.805 234 L CB -2.797 39.259 42.059 -0.005 0.000 0.905 234 L HN 0.207 nan 8.230 nan 0.000 0.443 235 P HA -0.132 nan 4.420 nan 0.000 0.216 235 P C 1.743 179.017 177.300 -0.043 0.000 1.150 235 P CA 1.615 64.698 63.100 -0.028 0.000 0.837 235 P CB 0.062 31.748 31.700 -0.024 0.000 0.786 236 V N -0.416 119.471 119.914 -0.044 0.000 2.878 236 V HA -0.049 4.049 4.120 -0.037 0.000 0.250 236 V C 2.729 178.782 176.094 -0.068 0.000 1.075 236 V CA 0.815 63.075 62.300 -0.067 0.000 1.096 236 V CB -0.864 30.925 31.823 -0.057 0.000 0.724 236 V HN -0.004 nan 8.190 nan 0.000 0.467 237 L N -0.170 121.030 121.223 -0.038 0.000 2.217 237 L HA -0.111 4.207 4.340 -0.037 0.000 0.211 237 L C 2.499 179.353 176.870 -0.027 0.000 1.107 237 L CA 1.449 56.275 54.840 -0.024 0.000 0.783 237 L CB -0.313 41.743 42.059 -0.004 0.000 0.919 237 L HN 0.421 nan 8.230 nan 0.000 0.442 238 E N 0.040 120.220 120.200 -0.033 0.000 2.076 238 E HA -0.111 4.217 4.350 -0.037 0.000 0.190 238 E C 2.296 178.866 176.600 -0.049 0.000 0.979 238 E CA 0.888 57.271 56.400 -0.030 0.000 0.807 238 E CB -0.099 29.587 29.700 -0.024 0.000 0.761 238 E HN 0.435 nan 8.360 nan 0.000 0.454 239 A N 1.105 123.878 122.820 -0.079 0.000 2.024 239 A HA -0.133 4.165 4.320 -0.037 0.000 0.220 239 A C 2.359 179.845 177.584 -0.164 0.000 1.164 239 A CA 1.076 53.041 52.037 -0.121 0.000 0.643 239 A CB -0.351 18.554 19.000 -0.158 0.000 0.806 239 A HN 0.111 nan 8.150 nan 0.000 0.451 240 V N -0.927 118.901 119.914 -0.144 0.000 2.878 240 V HA -0.036 4.062 4.120 -0.037 0.000 0.250 240 V C 2.863 178.964 176.094 0.012 0.000 1.075 240 V CA 1.213 63.451 62.300 -0.103 0.000 1.096 240 V CB -0.637 31.153 31.823 -0.054 0.000 0.724 240 V HN 0.575 nan 8.190 nan 0.000 0.467 241 A N -0.385 122.435 122.820 0.000 0.000 1.972 241 A HA -0.118 4.179 4.320 -0.037 0.000 0.219 241 A C 1.435 179.035 177.584 0.026 0.000 1.169 241 A CA 1.087 53.136 52.037 0.020 0.000 0.635 241 A CB -0.220 18.785 19.000 0.009 0.000 0.810 241 A HN 0.489 nan 8.150 nan 0.000 0.446 242 K N -1.809 118.597 120.400 0.010 0.000 2.202 242 K HA 0.427 4.724 4.320 -0.037 0.000 0.264 242 K C 0.847 177.480 176.600 0.054 0.000 1.010 242 K CA 0.392 56.690 56.287 0.018 0.000 0.940 242 K CB 0.594 33.091 32.500 -0.004 0.000 0.983 242 K HN 0.692 nan 8.250 nan 0.000 0.475 243 A N 1.874 124.736 122.820 0.070 0.000 3.383 243 A HA -0.181 4.117 4.320 -0.037 0.000 0.264 243 A C 1.026 178.683 177.584 0.122 0.000 1.154 243 A CA 1.117 53.225 52.037 0.118 0.000 1.179 243 A CB -2.426 16.702 19.000 0.214 0.000 1.133 243 A HN 1.312 nan 8.150 nan 0.000 0.933 244 G N -0.602 108.255 108.800 0.094 0.000 2.424 244 G HA2 -0.261 3.677 3.960 -0.037 0.000 0.294 244 G HA3 -0.261 3.677 3.960 -0.037 0.000 0.294 244 G C -0.022 174.933 174.900 0.092 0.000 0.939 244 G CA 1.538 46.686 45.100 0.079 0.000 1.143 244 G HN 1.094 nan 8.290 nan 0.000 0.507 245 K N 0.584 121.077 120.400 0.156 0.000 2.259 245 K HA 0.492 4.789 4.320 -0.037 0.000 0.249 245 K C -2.059 174.634 176.600 0.156 0.000 0.942 245 K CA -2.050 54.318 56.287 0.134 0.000 0.816 245 K CB 2.594 35.168 32.500 0.124 0.000 1.155 245 K HN 0.072 nan 8.250 nan 0.000 0.428 246 P HA 0.106 nan 4.420 nan 0.000 0.274 246 P C -1.129 176.244 177.300 0.122 0.000 1.260 246 P CA -0.488 62.658 63.100 0.076 0.000 0.793 246 P CB 0.671 32.389 31.700 0.030 0.000 1.048 247 L N 0.816 122.088 121.223 0.082 0.000 2.436 247 L HA 0.535 4.853 4.340 -0.037 0.000 0.268 247 L C -1.527 175.351 176.870 0.014 0.000 0.974 247 L CA -0.950 53.944 54.840 0.091 0.000 0.826 247 L CB 1.717 43.827 42.059 0.085 0.000 1.291 247 L HN 0.172 nan 8.230 nan 0.000 0.406 248 L N 5.923 127.163 121.223 0.029 0.000 2.305 248 L HA 0.643 4.960 4.340 -0.037 0.000 0.284 248 L C -1.216 175.660 176.870 0.010 0.000 1.013 248 L CA -0.203 54.632 54.840 -0.008 0.000 0.819 248 L CB 1.214 43.286 42.059 0.022 0.000 1.227 248 L HN 0.448 nan 8.230 nan 0.000 0.417 249 I N 7.108 127.664 120.570 -0.024 0.000 2.312 249 I HA 0.294 4.442 4.170 -0.037 0.000 0.290 249 I C -0.143 175.995 176.117 0.034 0.000 1.008 249 I CA -0.171 61.132 61.300 0.004 0.000 1.226 249 I CB 1.084 39.078 38.000 -0.010 0.000 1.371 249 I HN 0.580 nan 8.210 nan 0.000 0.468 250 I N 6.137 126.736 120.570 0.049 0.000 2.460 250 I HA 0.472 4.620 4.170 -0.037 0.000 0.277 250 I C 0.348 176.485 176.117 0.034 0.000 1.057 250 I CA -0.179 61.160 61.300 0.065 0.000 1.179 250 I CB 1.034 39.069 38.000 0.058 0.000 1.329 250 I HN 0.629 nan 8.210 nan 0.000 0.478 251 A N 3.975 126.822 122.820 0.044 0.000 2.344 251 A HA 0.436 4.734 4.320 -0.037 0.000 0.307 251 A C 1.009 178.619 177.584 0.043 0.000 1.151 251 A CA -0.527 51.531 52.037 0.034 0.000 0.842 251 A CB 1.263 20.285 19.000 0.036 0.000 1.350 251 A HN 0.677 nan 8.150 nan 0.000 0.459 252 E N -0.741 119.481 120.200 0.036 0.000 2.171 252 E HA -0.160 4.168 4.350 -0.037 0.000 0.197 252 E C -0.374 176.262 176.600 0.060 0.000 0.997 252 E CA 1.683 58.110 56.400 0.045 0.000 0.810 252 E CB 0.141 29.865 29.700 0.040 0.000 0.738 252 E HN 0.607 nan 8.360 nan 0.000 0.467 253 D N -2.350 118.086 120.400 0.060 0.000 2.912 253 D HA 0.094 4.712 4.640 -0.037 0.000 0.263 253 D C -1.977 174.365 176.300 0.069 0.000 1.152 253 D CA -0.461 53.581 54.000 0.070 0.000 0.728 253 D CB 1.501 42.340 40.800 0.064 0.000 1.337 253 D HN -0.145 nan 8.370 nan 0.000 0.435 254 V N 2.416 122.381 119.914 0.085 0.000 2.409 254 V HA 0.456 4.554 4.120 -0.037 0.000 0.290 254 V C -0.164 175.984 176.094 0.091 0.000 1.017 254 V CA -0.602 61.751 62.300 0.089 0.000 0.841 254 V CB 1.468 33.359 31.823 0.114 0.000 1.003 254 V HN 0.404 nan 8.190 nan 0.000 0.426 255 E N 2.451 122.693 120.200 0.069 0.000 2.222 255 E HA 0.597 4.924 4.350 -0.037 0.000 0.267 255 E C 1.270 177.899 176.600 0.049 0.000 0.963 255 E CA -0.090 56.344 56.400 0.058 0.000 0.837 255 E CB 1.790 31.517 29.700 0.045 0.000 1.183 255 E HN 0.693 nan 8.360 nan 0.000 0.403 256 G N 2.002 110.826 108.800 0.040 0.000 3.534 256 G HA2 -0.483 3.454 3.960 -0.037 0.000 0.278 256 G HA3 -0.483 3.454 3.960 -0.037 0.000 0.278 256 G C 1.285 176.199 174.900 0.024 0.000 0.991 256 G CA 1.387 46.503 45.100 0.027 0.000 0.904 256 G HN 0.686 nan 8.290 nan 0.000 1.258 257 E N 1.078 121.290 120.200 0.020 0.000 2.068 257 E HA -0.236 4.092 4.350 -0.037 0.000 0.207 257 E C 2.994 179.608 176.600 0.025 0.000 1.032 257 E CA 2.347 58.757 56.400 0.017 0.000 0.839 257 E CB -0.787 28.922 29.700 0.015 0.000 0.758 257 E HN 0.580 nan 8.360 nan 0.000 0.457 258 A N 0.828 123.669 122.820 0.036 0.000 1.872 258 A HA -0.138 4.159 4.320 -0.037 0.000 0.214 258 A C 2.272 179.899 177.584 0.073 0.000 1.187 258 A CA 1.434 53.501 52.037 0.049 0.000 0.614 258 A CB -0.737 18.293 19.000 0.050 0.000 0.826 258 A HN 0.334 nan 8.150 nan 0.000 0.442 259 L N -0.016 121.258 121.223 0.084 0.000 2.046 259 L HA -0.074 4.244 4.340 -0.037 0.000 0.208 259 L C 2.585 179.499 176.870 0.074 0.000 1.077 259 L CA 2.297 57.211 54.840 0.123 0.000 0.747 259 L CB -0.867 41.261 42.059 0.116 0.000 0.896 259 L HN 0.339 nan 8.230 nan 0.000 0.432 260 A N -1.658 121.177 122.820 0.024 0.000 1.933 260 A HA -0.175 4.123 4.320 -0.037 0.000 0.218 260 A C 2.240 179.809 177.584 -0.024 0.000 1.175 260 A CA 2.152 54.172 52.037 -0.027 0.000 0.628 260 A CB -1.159 17.823 19.000 -0.030 0.000 0.814 260 A HN 0.518 nan 8.150 nan 0.000 0.444 261 T N 0.477 115.037 114.554 0.010 0.000 2.821 261 T HA -0.041 4.287 4.350 -0.037 0.000 0.267 261 T C 1.775 176.502 174.700 0.044 0.000 1.046 261 T CA 1.371 63.481 62.100 0.016 0.000 1.139 261 T CB -0.322 68.560 68.868 0.023 0.000 0.871 261 T HN 0.374 nan 8.240 nan 0.000 0.454 262 L N 0.622 121.905 121.223 0.099 0.000 2.044 262 L HA -0.025 4.293 4.340 -0.037 0.000 0.205 262 L C 2.627 179.621 176.870 0.207 0.000 1.075 262 L CA 0.783 55.738 54.840 0.192 0.000 0.747 262 L CB -0.738 41.505 42.059 0.308 0.000 0.903 262 L HN 0.102 nan 8.230 nan 0.000 0.435 263 V N -0.471 119.478 119.914 0.059 0.000 2.688 263 V HA -0.232 3.866 4.120 -0.037 0.000 0.256 263 V C 2.231 178.233 176.094 -0.153 0.000 1.084 263 V CA 1.242 63.419 62.300 -0.204 0.000 1.103 263 V CB -0.308 31.290 31.823 -0.375 0.000 0.688 263 V HN 0.200 nan 8.190 nan 0.000 0.480 264 V N -0.051 119.812 119.914 -0.085 0.000 2.326 264 V HA -0.150 3.948 4.120 -0.037 0.000 0.237 264 V C 2.031 178.114 176.094 -0.018 0.000 1.044 264 V CA 2.020 64.273 62.300 -0.079 0.000 1.035 264 V CB -0.839 30.943 31.823 -0.068 0.000 0.675 264 V HN 0.519 nan 8.190 nan 0.000 0.470 265 N N 0.650 119.358 118.700 0.013 0.000 2.096 265 N HA -0.256 4.462 4.740 -0.037 0.000 0.195 265 N C 1.835 177.375 175.510 0.049 0.000 1.017 265 N CA 2.074 55.142 53.050 0.030 0.000 0.870 265 N CB -0.209 38.302 38.487 0.039 0.000 1.024 265 N HN 0.722 nan 8.380 nan 0.000 0.434 266 T N -1.042 113.564 114.554 0.087 0.000 2.857 266 T HA -0.076 4.252 4.350 -0.037 0.000 0.266 266 T C 1.673 176.423 174.700 0.083 0.000 1.048 266 T CA 0.571 62.738 62.100 0.112 0.000 1.139 266 T CB -0.180 68.816 68.868 0.213 0.000 0.874 266 T HN 0.133 nan 8.240 nan 0.000 0.455 267 M N 0.440 120.072 119.600 0.053 0.000 2.686 267 M HA 0.215 4.673 4.480 -0.037 0.000 0.246 267 M C 1.509 177.817 176.300 0.013 0.000 1.096 267 M CA 0.659 55.974 55.300 0.025 0.000 1.076 267 M CB -0.108 32.472 32.600 -0.035 0.000 1.504 267 M HN 0.121 nan 8.290 nan 0.000 0.524 268 R N -1.407 119.104 120.500 0.017 0.000 2.535 268 R HA 0.257 4.575 4.340 -0.037 0.000 0.323 268 R C 0.969 177.281 176.300 0.019 0.000 0.979 268 R CA 0.485 56.592 56.100 0.011 0.000 1.120 268 R CB 0.745 31.047 30.300 0.003 0.000 1.306 268 R HN 0.494 nan 8.270 nan 0.000 0.540 269 G N 1.721 110.539 108.800 0.030 0.000 2.184 269 G HA2 -0.276 3.662 3.960 -0.037 0.000 0.264 269 G HA3 -0.276 3.662 3.960 -0.037 0.000 0.264 269 G C 0.361 175.279 174.900 0.031 0.000 0.975 269 G CA 0.082 45.201 45.100 0.031 0.000 0.642 269 G HN 0.316 nan 8.290 nan 0.000 0.536 270 I N 1.345 121.933 120.570 0.030 0.000 2.330 270 I HA 0.385 4.533 4.170 -0.037 0.000 0.280 270 I C 0.579 176.719 176.117 0.037 0.000 1.069 270 I CA -0.442 60.875 61.300 0.028 0.000 1.873 270 I CB -0.241 37.773 38.000 0.022 0.000 1.476 270 I HN 0.111 nan 8.210 nan 0.000 0.813 271 V N 2.337 122.276 119.914 0.041 0.000 3.322 271 V HA -0.190 3.908 4.120 -0.037 0.000 0.477 271 V C 0.007 176.137 176.094 0.059 0.000 0.682 271 V CA -0.167 62.162 62.300 0.049 0.000 2.020 271 V CB -0.770 31.079 31.823 0.044 0.000 2.473 271 V HN 0.623 nan 8.190 nan 0.000 0.500 272 K N 3.845 124.280 120.400 0.059 0.000 2.349 272 K HA 0.674 4.972 4.320 -0.037 0.000 0.288 272 K C -0.363 176.264 176.600 0.045 0.000 1.058 272 K CA -0.003 56.322 56.287 0.062 0.000 0.953 272 K CB 1.250 33.781 32.500 0.051 0.000 0.997 272 K HN 0.584 nan 8.250 nan 0.000 0.477 273 V N 1.278 121.214 119.914 0.037 0.000 2.971 273 V HA 0.850 4.948 4.120 -0.037 0.000 0.309 273 V C -1.070 174.841 176.094 -0.305 0.000 1.130 273 V CA -1.126 61.137 62.300 -0.061 0.000 0.964 273 V CB 2.168 33.982 31.823 -0.014 0.000 1.029 273 V HN 0.756 nan 8.190 nan 0.000 0.427 274 A N 2.222 124.738 122.820 -0.506 0.000 2.488 274 A HA 0.996 5.293 4.320 -0.037 0.000 0.298 274 A C -0.718 176.468 177.584 -0.663 0.000 1.044 274 A CA -0.089 51.338 52.037 -1.017 0.000 0.693 274 A CB 1.859 20.588 19.000 -0.451 0.000 1.272 274 A HN 1.716 nan 8.150 nan 0.000 0.402 275 A N 1.005 123.386 122.820 -0.731 0.000 2.365 275 A HA 0.908 5.206 4.320 -0.037 0.000 0.318 275 A C -0.362 177.230 177.584 0.013 0.000 1.091 275 A CA -0.104 51.823 52.037 -0.184 0.000 0.763 275 A CB 1.394 20.370 19.000 -0.040 0.000 1.248 275 A HN 2.350 nan 8.150 nan 0.000 0.442 276 V N -0.872 119.085 119.914 0.071 0.000 3.087 276 V HA 0.612 4.709 4.120 -0.037 0.000 0.306 276 V C -0.646 175.541 176.094 0.155 0.000 1.187 276 V CA -1.270 61.106 62.300 0.127 0.000 0.999 276 V CB 1.451 33.346 31.823 0.120 0.000 1.049 276 V HN 0.890 nan 8.190 nan 0.000 0.431 277 K N 1.995 122.489 120.400 0.157 0.000 2.258 277 K HA 0.671 4.968 4.320 -0.037 0.000 0.264 277 K C 0.439 177.145 176.600 0.176 0.000 1.007 277 K CA 0.312 56.684 56.287 0.142 0.000 0.941 277 K CB 1.089 33.662 32.500 0.122 0.000 0.966 277 K HN 1.148 nan 8.250 nan 0.000 0.480 278 A N 3.562 126.434 122.820 0.086 0.000 2.407 278 A HA 0.221 4.518 4.320 -0.037 0.000 0.248 278 A C -2.047 175.547 177.584 0.016 0.000 1.082 278 A CA -1.226 50.802 52.037 -0.015 0.000 0.785 278 A CB -0.357 18.613 19.000 -0.050 0.000 1.020 278 A HN 0.483 nan 8.150 nan 0.000 0.489 279 P HA 0.328 nan 4.420 nan 0.000 0.268 279 P C 0.727 178.052 177.300 0.042 0.000 1.205 279 P CA 1.535 64.656 63.100 0.034 0.000 0.771 279 P CB 0.537 32.176 31.700 -0.100 0.000 0.858 280 G N 2.491 111.366 108.800 0.124 0.000 2.645 280 G HA2 -0.077 3.861 3.960 -0.037 0.000 0.239 280 G HA3 -0.077 3.861 3.960 -0.037 0.000 0.239 280 G C -0.788 174.266 174.900 0.258 0.000 1.331 280 G CA 0.095 45.300 45.100 0.175 0.000 0.890 280 G HN 0.771 nan 8.290 nan 0.000 0.572 281 F N -2.329 117.635 119.950 0.023 0.000 2.685 281 F HA 0.804 5.309 4.527 -0.037 0.000 0.315 281 F C 0.969 176.782 175.800 0.021 0.000 1.126 281 F CA 0.324 58.337 58.000 0.022 0.000 0.950 281 F CB 0.949 39.967 39.000 0.030 0.000 1.360 281 F HN 2.511 nan 8.300 nan 0.000 0.469 282 G N 1.513 110.275 108.800 -0.063 0.000 2.566 282 G HA2 -0.304 3.634 3.960 -0.037 0.000 0.280 282 G HA3 -0.304 3.634 3.960 -0.037 0.000 0.280 282 G C 0.313 175.116 174.900 -0.162 0.000 1.225 282 G CA 0.662 45.664 45.100 -0.162 0.000 0.966 282 G HN 0.894 nan 8.290 nan 0.000 0.560 283 D N 0.989 121.284 120.400 -0.176 0.000 2.092 283 D HA -0.123 4.494 4.640 -0.037 0.000 0.193 283 D C 2.523 178.742 176.300 -0.135 0.000 0.994 283 D CA 1.887 55.813 54.000 -0.123 0.000 0.828 283 D CB -0.386 40.353 40.800 -0.102 0.000 0.963 283 D HN 0.748 nan 8.370 nan 0.000 0.450 284 R N 1.202 121.590 120.500 -0.186 0.000 2.200 284 R HA -0.090 4.228 4.340 -0.037 0.000 0.234 284 R C 2.182 178.404 176.300 -0.130 0.000 1.127 284 R CA 1.137 57.142 56.100 -0.158 0.000 0.989 284 R CB -0.437 29.752 30.300 -0.184 0.000 0.869 284 R HN 0.110 nan 8.270 nan 0.000 0.459 285 R N 1.562 121.984 120.500 -0.131 0.000 2.092 285 R HA -0.062 4.255 4.340 -0.037 0.000 0.231 285 R C 1.426 177.679 176.300 -0.078 0.000 1.119 285 R CA 1.528 57.580 56.100 -0.080 0.000 0.970 285 R CB 0.019 30.299 30.300 -0.033 0.000 0.864 285 R HN 0.305 nan 8.270 nan 0.000 0.440 286 K N -0.115 120.241 120.400 -0.073 0.000 2.103 286 K HA 0.009 4.307 4.320 -0.037 0.000 0.204 286 K C 2.081 178.640 176.600 -0.067 0.000 1.052 286 K CA 1.030 57.281 56.287 -0.061 0.000 0.945 286 K CB -0.001 32.470 32.500 -0.049 0.000 0.722 286 K HN 0.179 nan 8.250 nan 0.000 0.443 287 A N 1.420 124.195 122.820 -0.075 0.000 1.898 287 A HA -0.132 4.166 4.320 -0.037 0.000 0.216 287 A C 2.115 179.651 177.584 -0.080 0.000 1.181 287 A CA 1.381 53.375 52.037 -0.072 0.000 0.620 287 A CB -0.404 18.550 19.000 -0.075 0.000 0.819 287 A HN 0.161 nan 8.150 nan 0.000 0.442 288 M N -0.875 118.667 119.600 -0.097 0.000 2.254 288 M HA 0.006 4.464 4.480 -0.037 0.000 0.265 288 M C 2.091 178.303 176.300 -0.148 0.000 1.066 288 M CA 0.935 56.162 55.300 -0.121 0.000 1.123 288 M CB -0.308 32.208 32.600 -0.140 0.000 1.388 288 M HN 0.396 nan 8.290 nan 0.000 0.425 289 L N 0.045 121.188 121.223 -0.134 0.000 2.131 289 L HA -0.244 4.074 4.340 -0.037 0.000 0.210 289 L C 2.604 179.418 176.870 -0.095 0.000 1.092 289 L CA 1.264 56.026 54.840 -0.131 0.000 0.759 289 L CB -0.254 41.749 42.059 -0.094 0.000 0.903 289 L HN 0.319 nan 8.230 nan 0.000 0.435 290 Q N 0.198 119.953 119.800 -0.075 0.000 2.083 290 Q HA -0.205 4.113 4.340 -0.037 0.000 0.198 290 Q C 1.582 177.550 176.000 -0.053 0.000 0.969 290 Q CA 1.826 57.597 55.803 -0.054 0.000 0.838 290 Q CB -0.081 28.630 28.738 -0.045 0.000 0.900 290 Q HN 0.375 nan 8.270 nan 0.000 0.436 291 D N -0.118 120.242 120.400 -0.065 0.000 2.116 291 D HA -0.167 4.451 4.640 -0.037 0.000 0.193 291 D C 1.758 178.026 176.300 -0.053 0.000 0.998 291 D CA 1.621 55.587 54.000 -0.057 0.000 0.836 291 D CB -0.199 40.562 40.800 -0.066 0.000 0.951 291 D HN 0.370 nan 8.370 nan 0.000 0.449 292 I N 0.713 121.233 120.570 -0.082 0.000 2.226 292 I HA -0.266 3.881 4.170 -0.037 0.000 0.245 292 I C 2.422 178.519 176.117 -0.033 0.000 1.100 292 I CA 0.952 62.211 61.300 -0.068 0.000 1.374 292 I CB -0.355 37.566 38.000 -0.131 0.000 1.057 292 I HN -0.044 nan 8.210 nan 0.000 0.413 293 A N 0.997 123.795 122.820 -0.037 0.000 1.851 293 A HA -0.246 4.052 4.320 -0.037 0.000 0.216 293 A C 2.418 179.997 177.584 -0.009 0.000 1.195 293 A CA 2.777 54.803 52.037 -0.017 0.000 0.622 293 A CB -1.310 17.677 19.000 -0.021 0.000 0.831 293 A HN 0.396 nan 8.150 nan 0.000 0.444 294 T N 0.528 115.074 114.554 -0.014 0.000 2.699 294 T HA -0.176 4.152 4.350 -0.037 0.000 0.268 294 T C 1.831 176.529 174.700 -0.004 0.000 1.036 294 T CA 1.420 63.514 62.100 -0.009 0.000 1.147 294 T CB -0.390 68.470 68.868 -0.014 0.000 0.862 294 T HN 0.331 nan 8.240 nan 0.000 0.446 295 L N 1.801 123.021 121.223 -0.004 0.000 2.056 295 L HA -0.073 4.245 4.340 -0.037 0.000 0.207 295 L C 2.348 179.223 176.870 0.008 0.000 1.078 295 L CA 2.398 57.240 54.840 0.003 0.000 0.749 295 L CB -1.342 40.721 42.059 0.007 0.000 0.901 295 L HN 0.474 nan 8.230 nan 0.000 0.433 296 T N -3.672 110.889 114.554 0.011 0.000 3.107 296 T HA 0.237 4.564 4.350 -0.037 0.000 0.249 296 T C 1.233 175.945 174.700 0.020 0.000 1.096 296 T CA 0.364 62.475 62.100 0.017 0.000 1.012 296 T CB -0.209 68.675 68.868 0.027 0.000 0.977 296 T HN 0.573 nan 8.240 nan 0.000 0.527 297 G N 0.482 109.291 108.800 0.016 0.000 2.295 297 G HA2 0.084 4.022 3.960 -0.037 0.000 0.287 297 G HA3 0.084 4.022 3.960 -0.037 0.000 0.287 297 G C 0.265 175.183 174.900 0.030 0.000 1.055 297 G CA -0.177 44.934 45.100 0.019 0.000 0.922 297 G HN 1.047 nan 8.290 nan 0.000 0.503 298 G N -1.679 107.136 108.800 0.025 0.000 2.788 298 G HA2 0.840 4.778 3.960 -0.037 0.000 0.293 298 G HA3 0.840 4.778 3.960 -0.037 0.000 0.293 298 G C -0.539 174.370 174.900 0.014 0.000 1.305 298 G CA 0.093 45.211 45.100 0.030 0.000 1.005 298 G HN 0.648 nan 8.290 nan 0.000 0.496 299 T N 0.101 114.662 114.554 0.012 0.000 2.824 299 T HA 0.451 4.778 4.350 -0.037 0.000 0.282 299 T C -0.244 174.455 174.700 -0.002 0.000 0.993 299 T CA -0.280 61.821 62.100 0.002 0.000 0.967 299 T CB 1.788 70.656 68.868 0.001 0.000 0.960 299 T HN 0.332 nan 8.240 nan 0.000 0.441 300 V N 4.594 124.503 119.914 -0.009 0.000 2.455 300 V HA 0.264 4.362 4.120 -0.037 0.000 0.273 300 V C 0.389 176.477 176.094 -0.010 0.000 1.045 300 V CA -0.436 61.856 62.300 -0.013 0.000 0.976 300 V CB 0.217 32.028 31.823 -0.021 0.000 0.993 300 V HN 0.772 nan 8.190 nan 0.000 0.475 301 I N 5.574 126.139 120.570 -0.008 0.000 2.260 301 I HA 0.190 4.338 4.170 -0.037 0.000 0.297 301 I C 0.620 176.734 176.117 -0.006 0.000 1.143 301 I CA 0.272 61.568 61.300 -0.007 0.000 1.271 301 I CB 0.280 38.277 38.000 -0.005 0.000 1.461 301 I HN 0.689 nan 8.210 nan 0.000 0.530 302 S N 3.127 118.823 115.700 -0.007 0.000 2.462 302 S HA 0.339 4.787 4.470 -0.037 0.000 0.294 302 S C 0.695 175.293 174.600 -0.004 0.000 1.144 302 S CA -0.844 57.352 58.200 -0.006 0.000 1.088 302 S CB 1.869 65.064 63.200 -0.009 0.000 1.009 302 S HN 0.578 nan 8.310 nan 0.000 0.484 303 E N 1.980 122.179 120.200 -0.001 0.000 2.204 303 E HA -0.177 4.151 4.350 -0.037 0.000 0.195 303 E C 1.461 178.061 176.600 -0.001 0.000 0.990 303 E CA 1.252 57.652 56.400 0.000 0.000 0.821 303 E CB -0.066 29.636 29.700 0.003 0.000 0.750 303 E HN 0.810 nan 8.360 nan 0.000 0.477 304 E N 0.962 121.161 120.200 -0.002 0.000 2.021 304 E HA -0.206 4.122 4.350 -0.037 0.000 0.200 304 E C 1.993 178.591 176.600 -0.003 0.000 1.015 304 E CA 1.166 57.565 56.400 -0.002 0.000 0.824 304 E CB -0.232 29.466 29.700 -0.005 0.000 0.762 304 E HN 0.293 nan 8.360 nan 0.000 0.454 305 I N 0.442 121.009 120.570 -0.005 0.000 3.241 305 I HA -0.069 4.079 4.170 -0.037 0.000 0.280 305 I C 0.936 177.050 176.117 -0.004 0.000 1.320 305 I CA 0.599 61.896 61.300 -0.005 0.000 1.413 305 I CB -0.718 37.278 38.000 -0.006 0.000 1.060 305 I HN 0.286 nan 8.210 nan 0.000 0.500 306 G N 1.888 110.686 108.800 -0.003 0.000 2.341 306 G HA2 -0.245 3.693 3.960 -0.037 0.000 0.278 306 G HA3 -0.245 3.693 3.960 -0.037 0.000 0.278 306 G C -0.146 174.752 174.900 -0.003 0.000 1.111 306 G CA -0.253 44.845 45.100 -0.003 0.000 0.982 306 G HN 0.265 nan 8.290 nan 0.000 0.502 307 M N -0.458 119.139 119.600 -0.004 0.000 2.644 307 M HA 0.652 5.110 4.480 -0.037 0.000 0.316 307 M C 0.130 176.427 176.300 -0.004 0.000 1.200 307 M CA -0.596 54.702 55.300 -0.005 0.000 0.944 307 M CB 2.012 34.609 32.600 -0.006 0.000 1.691 307 M HN 0.257 nan 8.290 nan 0.000 0.471 308 E N 0.982 121.179 120.200 -0.005 0.000 2.293 308 E HA 0.325 4.653 4.350 -0.037 0.000 0.270 308 E C 0.046 176.642 176.600 -0.007 0.000 0.879 308 E CA -0.483 55.914 56.400 -0.005 0.000 0.756 308 E CB 2.487 32.184 29.700 -0.005 0.000 1.208 308 E HN 0.632 nan 8.360 nan 0.000 0.428 309 L N 1.552 122.772 121.223 -0.006 0.000 2.191 309 L HA -0.173 4.145 4.340 -0.037 0.000 0.212 309 L C 1.460 178.322 176.870 -0.013 0.000 1.103 309 L CA 1.210 56.045 54.840 -0.008 0.000 0.769 309 L CB -0.219 41.837 42.059 -0.004 0.000 0.908 309 L HN 0.552 nan 8.230 nan 0.000 0.438 310 E N 0.266 120.460 120.200 -0.010 0.000 2.208 310 E HA -0.134 4.194 4.350 -0.037 0.000 0.193 310 E C 1.361 177.952 176.600 -0.016 0.000 0.988 310 E CA 0.834 57.227 56.400 -0.012 0.000 0.828 310 E CB 0.041 29.736 29.700 -0.009 0.000 0.763 310 E HN 0.346 nan 8.360 nan 0.000 0.478 311 K N 0.154 120.545 120.400 -0.015 0.000 2.437 311 K HA 0.360 4.657 4.320 -0.037 0.000 0.205 311 K C -0.226 176.362 176.600 -0.021 0.000 1.026 311 K CA -0.164 56.113 56.287 -0.016 0.000 1.153 311 K CB 1.121 33.613 32.500 -0.012 0.000 0.863 311 K HN -0.021 nan 8.250 nan 0.000 0.502 312 A N 1.752 124.557 122.820 -0.025 0.000 2.301 312 A HA 0.353 4.651 4.320 -0.037 0.000 0.298 312 A C 0.330 177.886 177.584 -0.048 0.000 1.185 312 A CA -0.409 51.610 52.037 -0.031 0.000 0.830 312 A CB 0.372 19.355 19.000 -0.028 0.000 1.112 312 A HN 0.223 nan 8.150 nan 0.000 0.508 313 T N 0.015 114.538 114.554 -0.053 0.000 2.949 313 T HA 0.513 4.840 4.350 -0.037 0.000 0.287 313 T C 1.132 175.767 174.700 -0.108 0.000 1.034 313 T CA -0.789 61.266 62.100 -0.075 0.000 1.018 313 T CB 0.663 69.498 68.868 -0.055 0.000 1.135 313 T HN 0.361 nan 8.240 nan 0.000 0.532 314 L N 0.127 121.248 121.223 -0.170 0.000 2.197 314 L HA -0.143 4.175 4.340 -0.037 0.000 0.215 314 L C 2.890 179.696 176.870 -0.106 0.000 1.095 314 L CA 1.873 56.547 54.840 -0.276 0.000 0.764 314 L CB -0.594 41.247 42.059 -0.364 0.000 0.897 314 L HN 0.902 nan 8.230 nan 0.000 0.436 315 E N 0.233 120.403 120.200 -0.049 0.000 2.153 315 E HA -0.242 4.086 4.350 -0.037 0.000 0.194 315 E C 1.388 177.995 176.600 0.012 0.000 0.988 315 E CA 1.359 57.760 56.400 0.001 0.000 0.811 315 E CB 0.140 29.837 29.700 -0.004 0.000 0.746 315 E HN 0.496 nan 8.360 nan 0.000 0.466 316 D N -0.010 120.386 120.400 -0.007 0.000 2.317 316 D HA -0.036 4.582 4.640 -0.037 0.000 0.211 316 D C 0.122 176.434 176.300 0.021 0.000 0.966 316 D CA 0.223 54.224 54.000 0.002 0.000 0.876 316 D CB 0.148 40.942 40.800 -0.011 0.000 0.927 316 D HN 0.131 nan 8.370 nan 0.000 0.519 317 L N 1.016 122.257 121.223 0.031 0.000 2.426 317 L HA 0.252 4.570 4.340 -0.037 0.000 0.271 317 L C 1.453 178.413 176.870 0.150 0.000 1.169 317 L CA 0.118 55.014 54.840 0.093 0.000 0.836 317 L CB 0.734 42.858 42.059 0.108 0.000 1.112 317 L HN -0.159 nan 8.230 nan 0.000 0.465 318 G N 1.586 110.462 108.800 0.127 0.000 2.563 318 G HA2 0.514 4.452 3.960 -0.037 0.000 0.283 318 G HA3 0.514 4.452 3.960 -0.037 0.000 0.283 318 G C -0.954 174.011 174.900 0.109 0.000 1.309 318 G CA -0.207 44.950 45.100 0.095 0.000 1.022 318 G HN 0.574 nan 8.290 nan 0.000 0.501 319 Q N -2.093 117.730 119.800 0.039 0.000 2.472 319 Q HA 0.577 4.895 4.340 -0.037 0.000 0.281 319 Q C -1.324 174.650 176.000 -0.043 0.000 0.997 319 Q CA -0.677 55.104 55.803 -0.037 0.000 0.828 319 Q CB 2.185 30.877 28.738 -0.077 0.000 1.443 319 Q HN 1.112 nan 8.270 nan 0.000 0.390 320 A N 1.851 124.627 122.820 -0.074 0.000 2.605 320 A HA 0.393 4.690 4.320 -0.037 0.000 0.294 320 A C -0.749 176.795 177.584 -0.068 0.000 1.062 320 A CA -0.621 51.387 52.037 -0.049 0.000 0.682 320 A CB 1.508 20.497 19.000 -0.017 0.000 1.278 320 A HN 0.794 nan 8.150 nan 0.000 0.410 321 K N -0.404 119.966 120.400 -0.049 0.000 2.283 321 K HA -0.003 4.295 4.320 -0.037 0.000 0.202 321 K C 0.653 177.228 176.600 -0.042 0.000 1.048 321 K CA 1.393 57.650 56.287 -0.050 0.000 0.948 321 K CB 0.109 32.588 32.500 -0.035 0.000 0.742 321 K HN 0.543 nan 8.250 nan 0.000 0.458 322 R N -0.206 120.275 120.500 -0.030 0.000 2.907 322 R HA 0.108 4.426 4.340 -0.037 0.000 0.246 322 R C -2.009 174.284 176.300 -0.012 0.000 1.082 322 R CA -0.505 55.582 56.100 -0.022 0.000 1.003 322 R CB 1.329 31.618 30.300 -0.017 0.000 1.261 322 R HN -0.045 nan 8.270 nan 0.000 0.474 323 V N 0.738 120.646 119.914 -0.010 0.000 2.735 323 V HA 0.886 4.984 4.120 -0.037 0.000 0.310 323 V C -1.233 174.856 176.094 -0.009 0.000 1.061 323 V CA -0.627 61.669 62.300 -0.006 0.000 0.913 323 V CB 2.185 34.008 31.823 0.001 0.000 1.005 323 V HN 0.424 nan 8.190 nan 0.000 0.428 324 V N 5.409 125.311 119.914 -0.019 0.000 2.531 324 V HA 0.576 4.673 4.120 -0.037 0.000 0.301 324 V C -0.332 175.741 176.094 -0.034 0.000 1.034 324 V CA -0.314 61.978 62.300 -0.012 0.000 0.865 324 V CB 1.598 33.418 31.823 -0.006 0.000 0.995 324 V HN 0.862 nan 8.190 nan 0.000 0.424 325 I N 4.354 124.926 120.570 0.003 0.000 2.433 325 I HA 0.518 4.666 4.170 -0.037 0.000 0.292 325 I C -0.017 176.133 176.117 0.054 0.000 1.001 325 I CA -0.468 60.830 61.300 -0.004 0.000 1.119 325 I CB 1.815 39.845 38.000 0.051 0.000 1.289 325 I HN 0.539 nan 8.210 nan 0.000 0.438 326 N N 4.058 122.718 118.700 -0.066 0.000 2.681 326 N HA 0.245 4.963 4.740 -0.037 0.000 0.311 326 N C 0.868 176.109 175.510 -0.447 0.000 1.303 326 N CA -0.561 52.431 53.050 -0.096 0.000 0.926 326 N CB 0.844 39.264 38.487 -0.113 0.000 1.136 326 N HN 0.533 nan 8.380 nan 0.000 0.592 327 K N 0.103 120.247 120.400 -0.427 0.000 2.217 327 K HA -0.093 4.205 4.320 -0.037 0.000 0.202 327 K C -0.576 175.720 176.600 -0.507 0.000 1.051 327 K CA 1.637 57.513 56.287 -0.686 0.000 0.952 327 K CB 0.069 32.431 32.500 -0.231 0.000 0.736 327 K HN 0.521 nan 8.250 nan 0.000 0.453 328 D N -1.119 119.094 120.400 -0.311 0.000 2.672 328 D HA 0.102 4.720 4.640 -0.037 0.000 0.287 328 D C -0.820 175.373 176.300 -0.177 0.000 1.559 328 D CA -0.389 53.485 54.000 -0.210 0.000 0.796 328 D CB 1.064 41.784 40.800 -0.133 0.000 1.181 328 D HN -0.149 nan 8.370 nan 0.000 0.458 329 T N 0.012 114.439 114.554 -0.212 0.000 2.971 329 T HA 0.544 4.871 4.350 -0.037 0.000 0.304 329 T C -1.193 173.331 174.700 -0.294 0.000 1.038 329 T CA -0.329 61.639 62.100 -0.221 0.000 1.007 329 T CB 1.928 70.710 68.868 -0.143 0.000 1.055 329 T HN -0.133 nan 8.240 nan 0.000 0.451 330 T N 2.544 116.789 114.554 -0.517 0.000 2.792 330 T HA 0.633 4.961 4.350 -0.037 0.000 0.280 330 T C -0.434 173.951 174.700 -0.525 0.000 0.990 330 T CA -0.521 61.211 62.100 -0.614 0.000 0.960 330 T CB 1.421 69.626 68.868 -1.106 0.000 0.939 330 T HN 0.593 nan 8.240 nan 0.000 0.439 331 T N 3.854 118.266 114.554 -0.236 0.000 2.890 331 T HA 0.583 4.911 4.350 -0.037 0.000 0.295 331 T C -0.560 174.125 174.700 -0.024 0.000 0.993 331 T CA -0.684 61.355 62.100 -0.101 0.000 0.979 331 T CB 0.055 68.885 68.868 -0.063 0.000 0.967 331 T HN 0.479 nan 8.240 nan 0.000 0.441 332 I N 6.222 126.816 120.570 0.039 0.000 2.325 332 I HA 0.404 4.551 4.170 -0.037 0.000 0.291 332 I C -0.038 176.098 176.117 0.032 0.000 1.019 332 I CA -0.667 60.665 61.300 0.053 0.000 1.302 332 I CB 1.026 39.088 38.000 0.103 0.000 1.401 332 I HN 0.561 nan 8.210 nan 0.000 0.485 333 I N 5.885 126.464 120.570 0.014 0.000 2.355 333 I HA 0.254 4.401 4.170 -0.037 0.000 0.288 333 I C -0.497 175.620 176.117 -0.000 0.000 0.999 333 I CA -0.483 60.821 61.300 0.006 0.000 1.163 333 I CB 1.149 39.148 38.000 -0.002 0.000 1.316 333 I HN 0.575 nan 8.210 nan 0.000 0.454 334 D N 4.994 125.395 120.400 0.001 0.000 3.729 334 D HA -0.109 4.508 4.640 -0.037 0.000 0.242 334 D C 0.075 176.371 176.300 -0.007 0.000 1.091 334 D CA 0.901 54.899 54.000 -0.004 0.000 1.096 334 D CB -0.189 40.605 40.800 -0.011 0.000 0.901 334 D HN 0.845 nan 8.370 nan 0.000 0.416 335 G N 0.795 109.595 108.800 0.000 0.000 2.420 335 G HA2 0.426 4.363 3.960 -0.037 0.000 0.284 335 G HA3 0.426 4.363 3.960 -0.037 0.000 0.284 335 G C 1.350 176.247 174.900 -0.004 0.000 1.177 335 G CA -0.446 44.654 45.100 -0.000 0.000 0.841 335 G HN 0.367 nan 8.290 nan 0.000 0.527 336 V N 2.251 122.161 119.914 -0.008 0.000 3.383 336 V HA 0.009 4.107 4.120 -0.037 0.000 0.272 336 V C 2.118 178.212 176.094 0.001 0.000 1.181 336 V CA 0.709 63.005 62.300 -0.007 0.000 1.171 336 V CB -1.287 30.531 31.823 -0.009 0.000 0.800 336 V HN 0.817 nan 8.190 nan 0.000 0.515 337 G N 0.906 109.708 108.800 0.003 0.000 2.368 337 G HA2 0.020 3.958 3.960 -0.037 0.000 0.233 337 G HA3 0.020 3.958 3.960 -0.037 0.000 0.233 337 G C 0.004 174.905 174.900 0.002 0.000 1.267 337 G CA -0.201 44.901 45.100 0.004 0.000 0.873 337 G HN 0.291 nan 8.290 nan 0.000 0.539 338 E N 1.748 121.949 120.200 0.002 0.000 2.290 338 E HA 0.038 4.366 4.350 -0.037 0.000 0.277 338 E C 1.326 177.926 176.600 -0.000 0.000 1.035 338 E CA -0.425 55.976 56.400 0.001 0.000 0.873 338 E CB 1.028 30.729 29.700 0.002 0.000 1.029 338 E HN 0.551 nan 8.360 nan 0.000 0.419 339 E N 2.310 122.510 120.200 -0.001 0.000 2.233 339 E HA -0.251 4.077 4.350 -0.037 0.000 0.199 339 E C 1.508 178.107 176.600 -0.002 0.000 1.004 339 E CA 1.420 57.819 56.400 -0.002 0.000 0.819 339 E CB -0.270 29.429 29.700 -0.002 0.000 0.738 339 E HN 0.545 nan 8.360 nan 0.000 0.478 340 A N 1.511 124.330 122.820 -0.002 0.000 1.854 340 A HA 0.090 4.388 4.320 -0.037 0.000 0.214 340 A C 2.481 180.063 177.584 -0.003 0.000 1.192 340 A CA 1.889 53.925 52.037 -0.002 0.000 0.611 340 A CB -0.784 18.215 19.000 -0.002 0.000 0.832 340 A HN 0.287 nan 8.150 nan 0.000 0.442 341 A N 0.193 123.012 122.820 -0.003 0.000 1.865 341 A HA -0.151 4.147 4.320 -0.037 0.000 0.217 341 A C 2.154 179.735 177.584 -0.005 0.000 1.191 341 A CA 1.726 53.761 52.037 -0.004 0.000 0.623 341 A CB -0.796 18.203 19.000 -0.002 0.000 0.826 341 A HN 0.499 nan 8.150 nan 0.000 0.444 342 I N -1.202 119.365 120.570 -0.004 0.000 2.076 342 I HA -0.312 3.836 4.170 -0.037 0.000 0.237 342 I C 2.803 178.917 176.117 -0.006 0.000 1.059 342 I CA 1.980 63.277 61.300 -0.005 0.000 1.317 342 I CB -0.454 37.544 38.000 -0.003 0.000 1.037 342 I HN 0.329 nan 8.210 nan 0.000 0.398 343 Q N 1.013 120.810 119.800 -0.005 0.000 2.234 343 Q HA -0.146 4.172 4.340 -0.037 0.000 0.206 343 Q C 2.008 178.004 176.000 -0.007 0.000 0.980 343 Q CA 1.828 57.628 55.803 -0.006 0.000 0.869 343 Q CB -0.680 28.056 28.738 -0.004 0.000 0.912 343 Q HN 0.567 nan 8.270 nan 0.000 0.436 344 G N -0.518 108.278 108.800 -0.007 0.000 2.403 344 G HA2 -0.268 3.670 3.960 -0.037 0.000 0.216 344 G HA3 -0.268 3.670 3.960 -0.037 0.000 0.216 344 G C 1.541 176.435 174.900 -0.010 0.000 1.154 344 G CA 0.722 45.817 45.100 -0.008 0.000 0.784 344 G HN 0.273 nan 8.290 nan 0.000 0.538 345 R N 0.455 120.948 120.500 -0.011 0.000 2.075 345 R HA 0.016 4.334 4.340 -0.037 0.000 0.232 345 R C 2.504 178.794 176.300 -0.016 0.000 1.126 345 R CA 1.313 57.404 56.100 -0.015 0.000 0.963 345 R CB -0.894 29.396 30.300 -0.016 0.000 0.858 345 R HN 0.190 nan 8.270 nan 0.000 0.435 346 V N 1.003 120.909 119.914 -0.014 0.000 2.594 346 V HA -0.190 3.907 4.120 -0.037 0.000 0.253 346 V C 2.307 178.393 176.094 -0.014 0.000 1.069 346 V CA 1.712 64.003 62.300 -0.014 0.000 1.082 346 V CB -0.967 30.850 31.823 -0.010 0.000 0.680 346 V HN 0.508 nan 8.190 nan 0.000 0.469 347 A N 0.110 122.923 122.820 -0.012 0.000 1.841 347 A HA -0.260 4.038 4.320 -0.037 0.000 0.214 347 A C 2.211 179.787 177.584 -0.014 0.000 1.195 347 A CA 1.843 53.873 52.037 -0.012 0.000 0.611 347 A CB -0.489 18.505 19.000 -0.010 0.000 0.835 347 A HN 0.608 nan 8.150 nan 0.000 0.443 348 Q N -0.122 119.669 119.800 -0.015 0.000 2.014 348 Q HA -0.173 4.145 4.340 -0.037 0.000 0.207 348 Q C 2.058 178.046 176.000 -0.020 0.000 0.993 348 Q CA 1.828 57.621 55.803 -0.017 0.000 0.850 348 Q CB -0.552 28.175 28.738 -0.019 0.000 0.916 348 Q HN 0.709 nan 8.270 nan 0.000 0.417 349 I N 0.451 121.007 120.570 -0.023 0.000 2.248 349 I HA -0.291 3.857 4.170 -0.037 0.000 0.248 349 I C 2.596 178.698 176.117 -0.025 0.000 1.107 349 I CA 1.274 62.557 61.300 -0.028 0.000 1.373 349 I CB -0.312 37.669 38.000 -0.030 0.000 1.055 349 I HN 0.166 nan 8.210 nan 0.000 0.418 350 R N 0.191 120.679 120.500 -0.020 0.000 2.236 350 R HA -0.100 4.218 4.340 -0.037 0.000 0.208 350 R C 2.306 178.597 176.300 -0.016 0.000 1.036 350 R CA 0.598 56.687 56.100 -0.017 0.000 1.001 350 R CB 0.105 30.397 30.300 -0.014 0.000 0.896 350 R HN 0.308 nan 8.270 nan 0.000 0.464 351 Q N 0.062 119.852 119.800 -0.016 0.000 2.123 351 Q HA -0.081 4.237 4.340 -0.037 0.000 0.196 351 Q C 1.849 177.840 176.000 -0.016 0.000 0.958 351 Q CA 1.104 56.899 55.803 -0.014 0.000 0.841 351 Q CB 0.232 28.963 28.738 -0.013 0.000 0.915 351 Q HN 0.401 nan 8.270 nan 0.000 0.455 352 Q N 0.426 120.214 119.800 -0.020 0.000 2.112 352 Q HA -0.155 4.163 4.340 -0.037 0.000 0.206 352 Q C 2.200 178.186 176.000 -0.022 0.000 0.987 352 Q CA 1.140 56.929 55.803 -0.022 0.000 0.858 352 Q CB -0.437 28.283 28.738 -0.030 0.000 0.905 352 Q HN 0.454 nan 8.270 nan 0.000 0.420 353 I N 1.162 121.718 120.570 -0.023 0.000 2.423 353 I HA -0.251 3.897 4.170 -0.037 0.000 0.254 353 I C 2.155 178.263 176.117 -0.015 0.000 1.151 353 I CA 1.019 62.306 61.300 -0.022 0.000 1.421 353 I CB -0.280 37.707 38.000 -0.022 0.000 1.079 353 I HN 0.137 nan 8.210 nan 0.000 0.431 354 E N 1.101 121.294 120.200 -0.012 0.000 2.051 354 E HA -0.141 4.187 4.350 -0.037 0.000 0.189 354 E C 1.671 178.267 176.600 -0.007 0.000 0.979 354 E CA 1.002 57.397 56.400 -0.008 0.000 0.803 354 E CB -0.287 29.409 29.700 -0.007 0.000 0.761 354 E HN 0.576 nan 8.360 nan 0.000 0.451 355 E N 1.036 121.231 120.200 -0.008 0.000 2.485 355 E HA 0.152 4.480 4.350 -0.037 0.000 0.194 355 E C 0.035 176.631 176.600 -0.006 0.000 1.098 355 E CA -0.130 56.266 56.400 -0.007 0.000 0.878 355 E CB 0.140 29.836 29.700 -0.008 0.000 0.939 355 E HN 0.052 nan 8.360 nan 0.000 0.503 356 A N 1.484 124.300 122.820 -0.007 0.000 2.404 356 A HA 0.109 4.407 4.320 -0.037 0.000 0.273 356 A C 1.321 178.908 177.584 0.004 0.000 1.144 356 A CA -0.243 51.792 52.037 -0.004 0.000 0.806 356 A CB 0.067 19.062 19.000 -0.009 0.000 1.080 356 A HN 0.233 nan 8.150 nan 0.000 0.509 357 T N -0.385 114.174 114.554 0.009 0.000 3.081 357 T HA 0.260 4.588 4.350 -0.037 0.000 0.250 357 T C 0.755 175.469 174.700 0.022 0.000 1.100 357 T CA 0.673 62.781 62.100 0.013 0.000 1.038 357 T CB -0.134 68.742 68.868 0.013 0.000 0.962 357 T HN 0.739 nan 8.240 nan 0.000 0.516 358 S N -0.905 114.813 115.700 0.030 0.000 2.661 358 S HA 0.407 4.855 4.470 -0.037 0.000 0.285 358 S C -0.170 174.461 174.600 0.051 0.000 1.138 358 S CA -0.681 57.548 58.200 0.049 0.000 0.855 358 S CB 1.757 65.002 63.200 0.075 0.000 1.136 358 S HN 0.072 nan 8.310 nan 0.000 0.484 359 D N 0.668 121.109 120.400 0.069 0.000 2.120 359 D HA -0.046 4.572 4.640 -0.037 0.000 0.202 359 D C 1.421 177.773 176.300 0.087 0.000 0.972 359 D CA 1.180 55.219 54.000 0.064 0.000 0.837 359 D CB -0.354 40.485 40.800 0.066 0.000 0.989 359 D HN 0.642 nan 8.370 nan 0.000 0.469 360 Y N 2.508 122.811 120.300 0.004 0.000 2.102 360 Y HA -0.269 4.259 4.550 -0.037 0.000 0.280 360 Y C 1.467 177.366 175.900 -0.001 0.000 1.178 360 Y CA 2.051 60.154 58.100 0.005 0.000 1.146 360 Y CB -0.443 38.021 38.460 0.008 0.000 0.968 360 Y HN -0.097 nan 8.280 nan 0.000 0.504 361 D N -0.797 119.599 120.400 -0.007 0.000 2.218 361 D HA -0.129 4.489 4.640 -0.037 0.000 0.204 361 D C 2.206 178.437 176.300 -0.113 0.000 0.976 361 D CA 1.285 55.224 54.000 -0.101 0.000 0.853 361 D CB -0.214 40.585 40.800 -0.003 0.000 0.939 361 D HN 0.333 nan 8.370 nan 0.000 0.481 362 R N 0.464 120.924 120.500 -0.067 0.000 2.062 362 R HA -0.071 4.246 4.340 -0.037 0.000 0.226 362 R C 1.805 178.058 176.300 -0.077 0.000 1.125 362 R CA 0.842 56.910 56.100 -0.054 0.000 0.966 362 R CB 0.188 30.476 30.300 -0.020 0.000 0.861 362 R HN 0.077 nan 8.270 nan 0.000 0.433 363 E N 1.086 121.232 120.200 -0.089 0.000 2.023 363 E HA -0.227 4.100 4.350 -0.037 0.000 0.196 363 E C 1.826 178.343 176.600 -0.137 0.000 1.003 363 E CA 1.108 57.453 56.400 -0.091 0.000 0.809 363 E CB -0.215 29.441 29.700 -0.074 0.000 0.755 363 E HN 0.195 nan 8.360 nan 0.000 0.449 364 K N 0.784 121.031 120.400 -0.254 0.000 2.113 364 K HA -0.092 4.205 4.320 -0.037 0.000 0.208 364 K C 2.412 178.920 176.600 -0.153 0.000 1.047 364 K CA 0.743 56.877 56.287 -0.254 0.000 0.928 364 K CB -0.514 31.734 32.500 -0.420 0.000 0.716 364 K HN 0.210 nan 8.250 nan 0.000 0.446 365 L N 0.977 122.122 121.223 -0.129 0.000 2.109 365 L HA -0.153 4.164 4.340 -0.037 0.000 0.207 365 L C 2.592 179.424 176.870 -0.062 0.000 1.086 365 L CA 0.904 55.692 54.840 -0.086 0.000 0.760 365 L CB -0.335 41.682 42.059 -0.071 0.000 0.910 365 L HN 0.158 nan 8.230 nan 0.000 0.437 366 Q N 0.145 119.910 119.800 -0.058 0.000 2.124 366 Q HA -0.221 4.096 4.340 -0.037 0.000 0.202 366 Q C 2.009 177.989 176.000 -0.034 0.000 0.977 366 Q CA 1.380 57.160 55.803 -0.039 0.000 0.850 366 Q CB -0.142 28.577 28.738 -0.032 0.000 0.901 366 Q HN 0.598 nan 8.270 nan 0.000 0.429 367 E N 0.394 120.568 120.200 -0.043 0.000 2.085 367 E HA -0.163 4.165 4.350 -0.037 0.000 0.194 367 E C 2.149 178.735 176.600 -0.023 0.000 0.994 367 E CA 0.715 57.097 56.400 -0.029 0.000 0.801 367 E CB -0.014 29.664 29.700 -0.037 0.000 0.743 367 E HN 0.260 nan 8.360 nan 0.000 0.453 368 R N 0.409 120.887 120.500 -0.037 0.000 2.075 368 R HA -0.116 4.202 4.340 -0.037 0.000 0.232 368 R C 2.713 178.999 176.300 -0.024 0.000 1.126 368 R CA 1.568 57.648 56.100 -0.033 0.000 0.963 368 R CB -0.559 29.712 30.300 -0.049 0.000 0.858 368 R HN 0.214 nan 8.270 nan 0.000 0.435 369 V N -1.467 118.432 119.914 -0.024 0.000 2.358 369 V HA -0.079 4.019 4.120 -0.037 0.000 0.246 369 V C 2.382 178.471 176.094 -0.010 0.000 1.047 369 V CA 1.654 63.944 62.300 -0.017 0.000 1.035 369 V CB -1.079 30.733 31.823 -0.018 0.000 0.658 369 V HN 0.222 nan 8.190 nan 0.000 0.452 370 A N 0.692 123.507 122.820 -0.008 0.000 1.917 370 A HA -0.255 4.043 4.320 -0.037 0.000 0.219 370 A C 2.349 179.936 177.584 0.006 0.000 1.182 370 A CA 2.539 54.576 52.037 -0.001 0.000 0.633 370 A CB -0.650 18.350 19.000 -0.001 0.000 0.819 370 A HN 0.638 nan 8.150 nan 0.000 0.448 371 K N -1.257 119.148 120.400 0.008 0.000 2.001 371 K HA -0.072 4.226 4.320 -0.037 0.000 0.208 371 K C 1.940 178.550 176.600 0.017 0.000 1.048 371 K CA 1.303 57.602 56.287 0.020 0.000 0.932 371 K CB -0.348 32.169 32.500 0.028 0.000 0.715 371 K HN 0.318 nan 8.250 nan 0.000 0.437 372 L N 0.853 122.080 121.223 0.006 0.000 1.961 372 L HA -0.141 4.177 4.340 -0.037 0.000 0.210 372 L C 2.275 179.147 176.870 0.003 0.000 1.072 372 L CA 1.986 56.827 54.840 0.003 0.000 0.749 372 L CB -0.886 41.169 42.059 -0.007 0.000 0.889 372 L HN 0.166 nan 8.230 nan 0.000 0.432 373 A N -1.137 121.683 122.820 -0.000 0.000 2.015 373 A HA -0.012 4.286 4.320 -0.037 0.000 0.219 373 A C 2.306 179.892 177.584 0.002 0.000 1.163 373 A CA 1.320 53.357 52.037 -0.000 0.000 0.646 373 A CB -1.301 17.698 19.000 -0.003 0.000 0.806 373 A HN 0.501 nan 8.150 nan 0.000 0.448 374 G N -0.719 108.083 108.800 0.005 0.000 2.421 374 G HA2 0.302 4.240 3.960 -0.037 0.000 0.216 374 G HA3 0.302 4.240 3.960 -0.037 0.000 0.216 374 G C 1.242 176.147 174.900 0.008 0.000 1.171 374 G CA 0.988 46.092 45.100 0.007 0.000 0.775 374 G HN 1.758 nan 8.290 nan 0.000 0.543 375 G N -2.012 106.794 108.800 0.011 0.000 2.615 375 G HA2 0.084 4.021 3.960 -0.037 0.000 0.218 375 G HA3 0.084 4.021 3.960 -0.037 0.000 0.218 375 G C -0.801 174.107 174.900 0.013 0.000 1.339 375 G CA -0.269 44.837 45.100 0.011 0.000 0.884 375 G HN 1.141 nan 8.290 nan 0.000 0.559 376 V N 0.364 120.284 119.914 0.009 0.000 2.668 376 V HA 0.710 4.808 4.120 -0.037 0.000 0.304 376 V C 0.659 176.754 176.094 0.002 0.000 1.071 376 V CA -0.035 62.270 62.300 0.008 0.000 0.894 376 V CB 1.308 33.136 31.823 0.010 0.000 1.008 376 V HN 2.189 nan 8.190 nan 0.000 0.425 377 A N 4.510 127.330 122.820 0.000 0.000 2.363 377 A HA 0.761 5.059 4.320 -0.037 0.000 0.270 377 A C -0.481 177.099 177.584 -0.007 0.000 1.121 377 A CA -0.283 51.752 52.037 -0.004 0.000 0.800 377 A CB 0.834 19.831 19.000 -0.005 0.000 1.052 377 A HN 0.810 nan 8.150 nan 0.000 0.493 378 V N 4.515 124.424 119.914 -0.008 0.000 2.409 378 V HA 0.290 4.387 4.120 -0.037 0.000 0.290 378 V C -0.330 175.756 176.094 -0.013 0.000 1.017 378 V CA -0.111 62.182 62.300 -0.010 0.000 0.841 378 V CB 1.196 33.013 31.823 -0.009 0.000 1.003 378 V HN 0.744 nan 8.190 nan 0.000 0.426 379 I N 4.749 125.309 120.570 -0.017 0.000 2.304 379 I HA 0.395 4.542 4.170 -0.037 0.000 0.291 379 I C 0.208 176.315 176.117 -0.018 0.000 1.018 379 I CA -0.395 60.894 61.300 -0.018 0.000 1.260 379 I CB 1.166 39.151 38.000 -0.025 0.000 1.390 379 I HN 0.469 nan 8.210 nan 0.000 0.475 380 K N 5.562 125.953 120.400 -0.015 0.000 2.263 380 K HA 0.425 4.723 4.320 -0.037 0.000 0.272 380 K C -0.837 175.755 176.600 -0.014 0.000 1.033 380 K CA -0.538 55.740 56.287 -0.014 0.000 0.884 380 K CB 1.649 34.142 32.500 -0.011 0.000 1.107 380 K HN 0.335 nan 8.250 nan 0.000 0.460 381 V N 3.200 123.105 119.914 -0.015 0.000 2.455 381 V HA 0.229 4.327 4.120 -0.037 0.000 0.273 381 V C 0.862 176.949 176.094 -0.012 0.000 1.045 381 V CA -0.534 61.758 62.300 -0.014 0.000 0.976 381 V CB 0.943 32.756 31.823 -0.016 0.000 0.993 381 V HN 0.877 nan 8.190 nan 0.000 0.475 382 G N 3.106 111.899 108.800 -0.011 0.000 2.462 382 G HA2 0.826 4.763 3.960 -0.037 0.000 0.319 382 G HA3 0.826 4.763 3.960 -0.037 0.000 0.319 382 G C -0.473 174.422 174.900 -0.008 0.000 1.171 382 G CA 0.104 45.198 45.100 -0.009 0.000 0.920 382 G HN 1.269 nan 8.290 nan 0.000 0.499 383 A N -1.061 121.754 122.820 -0.007 0.000 2.515 383 A HA 0.742 5.040 4.320 -0.037 0.000 0.292 383 A C 0.664 178.245 177.584 -0.006 0.000 1.065 383 A CA 0.422 52.455 52.037 -0.007 0.000 0.641 383 A CB 0.358 19.354 19.000 -0.007 0.000 1.306 383 A HN 1.841 nan 8.150 nan 0.000 0.441 384 A N -0.421 122.396 122.820 -0.005 0.000 1.970 384 A HA 0.446 4.744 4.320 -0.037 0.000 0.216 384 A C 1.280 178.861 177.584 -0.004 0.000 1.170 384 A CA 2.310 54.344 52.037 -0.005 0.000 0.645 384 A CB -0.492 18.505 19.000 -0.004 0.000 0.816 384 A HN 2.252 nan 8.150 nan 0.000 0.447 385 T N -4.395 110.156 114.554 -0.004 0.000 2.916 385 T HA 0.456 4.784 4.350 -0.037 0.000 0.292 385 T C 0.462 175.160 174.700 -0.004 0.000 1.055 385 T CA 0.073 62.171 62.100 -0.004 0.000 1.009 385 T CB 1.895 70.761 68.868 -0.004 0.000 1.118 385 T HN 0.245 nan 8.240 nan 0.000 0.497 386 E N 0.494 120.691 120.200 -0.004 0.000 2.118 386 E HA -0.138 4.190 4.350 -0.037 0.000 0.195 386 E C 1.821 178.418 176.600 -0.004 0.000 0.992 386 E CA 1.480 57.877 56.400 -0.004 0.000 0.804 386 E CB -0.210 29.488 29.700 -0.003 0.000 0.741 386 E HN 0.573 nan 8.360 nan 0.000 0.458 387 V N 1.426 121.338 119.914 -0.003 0.000 2.233 387 V HA -0.285 3.813 4.120 -0.037 0.000 0.247 387 V C 2.178 178.270 176.094 -0.004 0.000 1.050 387 V CA 2.347 64.646 62.300 -0.003 0.000 1.010 387 V CB -0.749 31.073 31.823 -0.003 0.000 0.637 387 V HN 0.297 nan 8.190 nan 0.000 0.444 388 E N -0.282 119.915 120.200 -0.004 0.000 2.085 388 E HA -0.266 4.061 4.350 -0.037 0.000 0.194 388 E C 2.219 178.816 176.600 -0.006 0.000 0.994 388 E CA 1.609 58.005 56.400 -0.005 0.000 0.801 388 E CB -0.303 29.394 29.700 -0.005 0.000 0.743 388 E HN 0.445 nan 8.360 nan 0.000 0.453 389 M N 1.344 120.941 119.600 -0.006 0.000 2.065 389 M HA -0.207 4.251 4.480 -0.037 0.000 0.259 389 M C 1.837 178.133 176.300 -0.007 0.000 1.071 389 M CA 1.704 57.000 55.300 -0.007 0.000 1.109 389 M CB -0.303 32.293 32.600 -0.006 0.000 1.313 389 M HN -0.109 nan 8.290 nan 0.000 0.408 390 K N 0.175 120.572 120.400 -0.006 0.000 2.152 390 K HA -0.178 4.120 4.320 -0.037 0.000 0.206 390 K C 1.949 178.546 176.600 -0.005 0.000 1.048 390 K CA 1.171 57.455 56.287 -0.005 0.000 0.933 390 K CB -0.588 31.911 32.500 -0.003 0.000 0.721 390 K HN 0.487 nan 8.250 nan 0.000 0.447 391 E N 1.604 121.801 120.200 -0.005 0.000 2.015 391 E HA -0.176 4.151 4.350 -0.037 0.000 0.191 391 E C 1.948 178.544 176.600 -0.008 0.000 0.991 391 E CA 1.278 57.675 56.400 -0.005 0.000 0.802 391 E CB 0.002 29.699 29.700 -0.005 0.000 0.759 391 E HN 0.161 nan 8.360 nan 0.000 0.447 392 K N 0.878 121.273 120.400 -0.010 0.000 2.103 392 K HA -0.190 4.108 4.320 -0.037 0.000 0.207 392 K C 2.344 178.934 176.600 -0.017 0.000 1.048 392 K CA 1.582 57.861 56.287 -0.013 0.000 0.930 392 K CB -0.108 32.384 32.500 -0.012 0.000 0.716 392 K HN -0.041 nan 8.250 nan 0.000 0.444 393 K N 0.121 120.511 120.400 -0.015 0.000 2.063 393 K HA -0.169 4.129 4.320 -0.037 0.000 0.208 393 K C 1.936 178.523 176.600 -0.023 0.000 1.048 393 K CA 1.377 57.653 56.287 -0.019 0.000 0.928 393 K CB -0.187 32.305 32.500 -0.014 0.000 0.713 393 K HN 0.214 nan 8.250 nan 0.000 0.442 394 A N 1.387 124.199 122.820 -0.014 0.000 1.902 394 A HA -0.142 4.155 4.320 -0.037 0.000 0.217 394 A C 2.097 179.670 177.584 -0.017 0.000 1.181 394 A CA 1.391 53.421 52.037 -0.011 0.000 0.623 394 A CB -0.458 18.541 19.000 -0.002 0.000 0.818 394 A HN 0.328 nan 8.150 nan 0.000 0.443 395 R N -0.740 119.749 120.500 -0.017 0.000 2.120 395 R HA -0.062 4.256 4.340 -0.037 0.000 0.234 395 R C 1.991 178.271 176.300 -0.034 0.000 1.123 395 R CA 1.327 57.415 56.100 -0.019 0.000 0.975 395 R CB -0.409 29.882 30.300 -0.015 0.000 0.866 395 R HN 0.417 nan 8.270 nan 0.000 0.446 396 V N 0.940 120.829 119.914 -0.041 0.000 2.358 396 V HA -0.204 3.894 4.120 -0.037 0.000 0.246 396 V C 1.937 177.972 176.094 -0.098 0.000 1.047 396 V CA 1.704 63.970 62.300 -0.057 0.000 1.035 396 V CB -0.352 31.442 31.823 -0.049 0.000 0.658 396 V HN 0.324 nan 8.190 nan 0.000 0.452 397 E N -0.321 119.814 120.200 -0.107 0.000 2.118 397 E HA -0.239 4.088 4.350 -0.037 0.000 0.195 397 E C 2.012 178.442 176.600 -0.284 0.000 0.992 397 E CA 1.448 57.729 56.400 -0.199 0.000 0.804 397 E CB -0.116 29.518 29.700 -0.109 0.000 0.741 397 E HN 0.578 nan 8.360 nan 0.000 0.458 398 D N -0.030 120.308 120.400 -0.103 0.000 2.077 398 D HA -0.094 4.524 4.640 -0.037 0.000 0.196 398 D C 1.989 178.268 176.300 -0.035 0.000 0.986 398 D CA 1.221 55.212 54.000 -0.015 0.000 0.829 398 D CB -0.102 40.711 40.800 0.020 0.000 0.983 398 D HN 0.111 nan 8.370 nan 0.000 0.453 399 A N 0.926 123.721 122.820 -0.043 0.000 1.986 399 A HA -0.203 4.095 4.320 -0.037 0.000 0.220 399 A C 2.162 179.717 177.584 -0.047 0.000 1.171 399 A CA 1.109 53.127 52.037 -0.031 0.000 0.640 399 A CB -0.654 18.327 19.000 -0.031 0.000 0.811 399 A HN 0.272 nan 8.150 nan 0.000 0.451 400 L N -0.793 120.361 121.223 -0.115 0.000 2.005 400 L HA -0.141 4.177 4.340 -0.037 0.000 0.207 400 L C 2.431 179.254 176.870 -0.077 0.000 1.072 400 L CA 2.209 56.969 54.840 -0.133 0.000 0.744 400 L CB -0.809 41.114 42.059 -0.227 0.000 0.895 400 L HN 0.523 nan 8.230 nan 0.000 0.433 401 H N -0.368 118.701 119.070 -0.002 0.000 2.352 401 H HA -0.062 4.472 4.556 -0.037 0.000 0.299 401 H C 2.136 177.465 175.328 0.001 0.000 1.097 401 H CA 1.360 57.408 56.048 -0.001 0.000 1.311 401 H CB -0.730 29.031 29.762 -0.002 0.000 1.377 401 H HN 0.487 nan 8.280 nan 0.000 0.504 402 A N 0.659 123.552 122.820 0.121 0.000 1.865 402 A HA -0.188 4.110 4.320 -0.037 0.000 0.217 402 A C 2.666 180.277 177.584 0.045 0.000 1.191 402 A CA 2.477 54.554 52.037 0.068 0.000 0.623 402 A CB -1.068 17.957 19.000 0.042 0.000 0.826 402 A HN 0.443 nan 8.150 nan 0.000 0.444 403 T N -0.546 114.025 114.554 0.028 0.000 2.788 403 T HA -0.138 4.190 4.350 -0.037 0.000 0.268 403 T C 2.133 176.848 174.700 0.025 0.000 1.044 403 T CA 1.283 63.394 62.100 0.018 0.000 1.139 403 T CB -0.260 68.610 68.868 0.004 0.000 0.867 403 T HN 0.278 nan 8.240 nan 0.000 0.454 404 R N 1.273 121.795 120.500 0.038 0.000 2.083 404 R HA 0.028 4.346 4.340 -0.037 0.000 0.237 404 R C 2.625 178.949 176.300 0.041 0.000 1.137 404 R CA 1.788 57.914 56.100 0.044 0.000 0.951 404 R CB -1.065 29.280 30.300 0.074 0.000 0.851 404 R HN 0.456 nan 8.270 nan 0.000 0.434 405 A N 0.138 122.987 122.820 0.047 0.000 1.969 405 A HA -0.000 4.298 4.320 -0.037 0.000 0.218 405 A C 2.306 179.907 177.584 0.029 0.000 1.169 405 A CA 1.600 53.660 52.037 0.038 0.000 0.635 405 A CB -0.467 18.557 19.000 0.040 0.000 0.810 405 A HN 0.390 nan 8.150 nan 0.000 0.445 406 A N -0.559 122.277 122.820 0.027 0.000 1.898 406 A HA 0.019 4.317 4.320 -0.037 0.000 0.216 406 A C 2.164 179.759 177.584 0.018 0.000 1.181 406 A CA 1.629 53.678 52.037 0.020 0.000 0.620 406 A CB -0.872 18.138 19.000 0.017 0.000 0.819 406 A HN 0.357 nan 8.150 nan 0.000 0.442 407 V N 0.150 120.075 119.914 0.018 0.000 2.490 407 V HA -0.259 3.839 4.120 -0.037 0.000 0.250 407 V C 2.389 178.492 176.094 0.016 0.000 1.061 407 V CA 2.292 64.602 62.300 0.016 0.000 1.064 407 V CB -0.700 31.132 31.823 0.015 0.000 0.670 407 V HN 0.637 nan 8.190 nan 0.000 0.461 408 E N -0.340 119.872 120.200 0.019 0.000 2.051 408 E HA -0.126 4.202 4.350 -0.037 0.000 0.189 408 E C 1.518 178.128 176.600 0.016 0.000 0.979 408 E CA 1.194 57.605 56.400 0.018 0.000 0.803 408 E CB 0.073 29.786 29.700 0.021 0.000 0.761 408 E HN 0.647 nan 8.360 nan 0.000 0.451 409 E N -0.770 119.440 120.200 0.016 0.000 2.759 409 E HA 0.227 4.554 4.350 -0.037 0.000 0.220 409 E C 0.093 176.701 176.600 0.014 0.000 0.974 409 E CA 0.070 56.479 56.400 0.014 0.000 1.148 409 E CB 1.647 31.355 29.700 0.014 0.000 1.059 409 E HN 0.245 nan 8.360 nan 0.000 0.493 410 G N 1.158 109.967 108.800 0.014 0.000 2.693 410 G HA2 -0.225 3.713 3.960 -0.037 0.000 0.226 410 G HA3 -0.225 3.713 3.960 -0.037 0.000 0.226 410 G C -0.221 174.687 174.900 0.014 0.000 1.354 410 G CA -0.405 44.703 45.100 0.014 0.000 0.873 410 G HN 0.541 nan 8.290 nan 0.000 0.562 411 V N -2.725 117.197 119.914 0.014 0.000 3.040 411 V HA 0.987 5.085 4.120 -0.037 0.000 0.312 411 V C 0.575 176.678 176.094 0.014 0.000 1.115 411 V CA 0.148 62.456 62.300 0.013 0.000 0.998 411 V CB 1.313 33.143 31.823 0.011 0.000 1.042 411 V HN 2.468 nan 8.190 nan 0.000 0.433 412 V N -0.996 118.926 119.914 0.013 0.000 3.167 412 V HA 1.017 5.115 4.120 -0.037 0.000 0.310 412 V C 0.446 176.547 176.094 0.012 0.000 1.207 412 V CA -0.739 61.570 62.300 0.015 0.000 1.059 412 V CB 1.197 33.029 31.823 0.016 0.000 1.079 412 V HN 2.085 nan 8.190 nan 0.000 0.446 413 A N 0.496 123.324 122.820 0.013 0.000 2.511 413 A HA 0.657 4.955 4.320 -0.037 0.000 0.242 413 A C 0.828 178.412 177.584 -0.000 0.000 1.069 413 A CA 0.685 52.725 52.037 0.005 0.000 0.763 413 A CB -0.443 18.561 19.000 0.007 0.000 1.001 413 A HN 1.953 nan 8.150 nan 0.000 0.498 414 G N 0.429 109.222 108.800 -0.010 0.000 2.630 414 G HA2 0.518 4.456 3.960 -0.037 0.000 0.223 414 G HA3 0.518 4.456 3.960 -0.037 0.000 0.223 414 G C 1.149 176.039 174.900 -0.017 0.000 1.434 414 G CA -0.081 45.012 45.100 -0.011 0.000 1.057 414 G HN 2.214 nan 8.290 nan 0.000 0.570 415 G N -1.950 106.839 108.800 -0.018 0.000 2.180 415 G HA2 0.191 4.129 3.960 -0.037 0.000 0.263 415 G HA3 0.191 4.129 3.960 -0.037 0.000 0.263 415 G C 1.539 176.439 174.900 0.001 0.000 0.989 415 G CA 1.348 46.438 45.100 -0.017 0.000 0.692 415 G HN 2.480 nan 8.290 nan 0.000 0.526 416 G N -2.379 106.423 108.800 0.003 0.000 2.162 416 G HA2 -0.083 3.855 3.960 -0.037 0.000 0.260 416 G HA3 -0.083 3.855 3.960 -0.037 0.000 0.260 416 G C 1.765 176.672 174.900 0.012 0.000 0.976 416 G CA 1.811 46.916 45.100 0.010 0.000 0.655 416 G HN 2.213 nan 8.290 nan 0.000 0.533 417 V N -1.470 118.448 119.914 0.008 0.000 2.951 417 V HA 0.484 4.582 4.120 -0.037 0.000 0.255 417 V C 2.664 178.770 176.094 0.020 0.000 1.088 417 V CA 1.864 64.171 62.300 0.012 0.000 1.109 417 V CB -0.283 31.538 31.823 -0.004 0.000 0.724 417 V HN 1.352 nan 8.190 nan 0.000 0.471 418 A N 0.834 123.664 122.820 0.017 0.000 1.877 418 A HA -0.071 4.227 4.320 -0.037 0.000 0.216 418 A C 2.212 179.810 177.584 0.022 0.000 1.186 418 A CA 2.231 54.281 52.037 0.021 0.000 0.620 418 A CB -0.724 18.287 19.000 0.017 0.000 0.822 418 A HN 0.587 nan 8.150 nan 0.000 0.443 419 L N -0.959 120.275 121.223 0.019 0.000 2.083 419 L HA -0.137 4.181 4.340 -0.037 0.000 0.209 419 L C 2.520 179.402 176.870 0.021 0.000 1.083 419 L CA 1.310 56.161 54.840 0.018 0.000 0.752 419 L CB -0.337 41.731 42.059 0.016 0.000 0.899 419 L HN 0.469 nan 8.230 nan 0.000 0.433 420 I N -0.441 120.143 120.570 0.023 0.000 2.353 420 I HA -0.283 3.865 4.170 -0.037 0.000 0.248 420 I C 2.782 178.920 176.117 0.035 0.000 1.119 420 I CA 0.782 62.099 61.300 0.027 0.000 1.417 420 I CB 0.040 38.056 38.000 0.028 0.000 1.078 420 I HN 0.201 nan 8.210 nan 0.000 0.421 421 R N 0.481 121.005 120.500 0.040 0.000 2.070 421 R HA -0.134 4.184 4.340 -0.037 0.000 0.233 421 R C 2.043 178.365 176.300 0.037 0.000 1.137 421 R CA 2.102 58.231 56.100 0.049 0.000 0.945 421 R CB -1.108 29.224 30.300 0.054 0.000 0.845 421 R HN 0.210 nan 8.270 nan 0.000 0.430 422 V N 0.951 120.883 119.914 0.029 0.000 2.332 422 V HA -0.240 3.858 4.120 -0.037 0.000 0.248 422 V C 2.310 178.416 176.094 0.020 0.000 1.055 422 V CA 2.037 64.350 62.300 0.022 0.000 1.038 422 V CB -0.836 30.998 31.823 0.018 0.000 0.651 422 V HN 0.590 nan 8.190 nan 0.000 0.450 423 A N 0.297 123.129 122.820 0.020 0.000 1.898 423 A HA -0.200 4.098 4.320 -0.037 0.000 0.216 423 A C 2.540 180.135 177.584 0.019 0.000 1.181 423 A CA 2.123 54.170 52.037 0.017 0.000 0.620 423 A CB -0.830 18.180 19.000 0.016 0.000 0.819 423 A HN 0.708 nan 8.150 nan 0.000 0.442 424 S N -0.011 115.704 115.700 0.024 0.000 2.419 424 S HA -0.176 4.272 4.470 -0.037 0.000 0.235 424 S C 1.673 176.286 174.600 0.022 0.000 1.019 424 S CA 1.587 59.802 58.200 0.026 0.000 0.982 424 S CB -0.378 62.844 63.200 0.036 0.000 0.789 424 S HN 0.613 nan 8.310 nan 0.000 0.490 425 K N 0.540 120.953 120.400 0.021 0.000 2.365 425 K HA 0.254 4.552 4.320 -0.037 0.000 0.197 425 K C 1.048 177.656 176.600 0.013 0.000 1.042 425 K CA 0.490 56.788 56.287 0.018 0.000 0.987 425 K CB -0.161 32.350 32.500 0.019 0.000 0.779 425 K HN 0.433 nan 8.250 nan 0.000 0.484 426 L N 0.471 121.701 121.223 0.012 0.000 2.685 426 L HA 0.192 4.510 4.340 -0.037 0.000 0.233 426 L C 1.854 178.729 176.870 0.008 0.000 1.173 426 L CA -0.323 54.522 54.840 0.009 0.000 0.961 426 L CB -0.045 42.019 42.059 0.008 0.000 1.217 426 L HN 0.050 nan 8.230 nan 0.000 0.478 427 A N 0.254 123.080 122.820 0.009 0.000 1.948 427 A HA -0.222 4.076 4.320 -0.037 0.000 0.220 427 A C 1.681 179.268 177.584 0.006 0.000 1.177 427 A CA 1.914 53.956 52.037 0.008 0.000 0.636 427 A CB -0.218 18.787 19.000 0.009 0.000 0.815 427 A HN 0.383 nan 8.150 nan 0.000 0.449 428 D N -1.080 119.324 120.400 0.005 0.000 2.339 428 D HA 0.147 4.765 4.640 -0.037 0.000 0.217 428 D C 0.227 176.529 176.300 0.004 0.000 1.050 428 D CA -0.195 53.808 54.000 0.004 0.000 0.856 428 D CB -0.126 40.676 40.800 0.004 0.000 0.922 428 D HN 0.343 nan 8.370 nan 0.000 0.518 429 L N 1.929 123.154 121.223 0.004 0.000 2.455 429 L HA 0.105 4.422 4.340 -0.037 0.000 0.272 429 L C 0.138 177.009 176.870 0.003 0.000 1.174 429 L CA 0.496 55.338 54.840 0.003 0.000 0.869 429 L CB 0.150 42.211 42.059 0.003 0.000 1.130 429 L HN -0.210 nan 8.230 nan 0.000 0.474 430 R N 3.276 123.777 120.500 0.002 0.000 2.867 430 R HA 0.725 5.043 4.340 -0.037 0.000 0.268 430 R C -0.241 176.060 176.300 0.001 0.000 1.014 430 R CA -0.390 55.711 56.100 0.002 0.000 0.946 430 R CB 1.496 31.797 30.300 0.002 0.000 1.208 430 R HN 0.811 nan 8.270 nan 0.000 0.477 431 G N -0.372 108.429 108.800 0.001 0.000 3.107 431 G HA2 0.218 4.156 3.960 -0.037 0.000 0.232 431 G HA3 0.218 4.156 3.960 -0.037 0.000 0.232 431 G C 0.086 174.986 174.900 0.001 0.000 1.339 431 G CA -0.290 44.810 45.100 0.001 0.000 1.033 431 G HN 0.421 nan 8.290 nan 0.000 0.567 432 Q N -0.677 119.123 119.800 0.001 0.000 2.311 432 Q HA 0.074 4.392 4.340 -0.037 0.000 0.203 432 Q C 0.292 176.292 176.000 0.001 0.000 0.954 432 Q CA 1.151 56.955 55.803 0.001 0.000 0.885 432 Q CB 0.018 28.756 28.738 0.000 0.000 0.963 432 Q HN 0.628 nan 8.270 nan 0.000 0.471 433 N N -2.247 116.454 118.700 0.001 0.000 3.039 433 N HA 0.058 4.775 4.740 -0.037 0.000 0.257 433 N C -0.111 175.400 175.510 0.001 0.000 1.497 433 N CA -0.549 52.501 53.050 0.001 0.000 0.861 433 N CB 0.527 39.015 38.487 0.001 0.000 1.479 433 N HN -0.304 nan 8.380 nan 0.000 0.547 434 E N -0.315 119.886 120.200 0.001 0.000 2.110 434 E HA -0.135 4.193 4.350 -0.037 0.000 0.193 434 E C 0.491 177.092 176.600 0.002 0.000 0.988 434 E CA 1.592 57.993 56.400 0.001 0.000 0.804 434 E CB -0.352 29.348 29.700 0.001 0.000 0.745 434 E HN 0.593 nan 8.360 nan 0.000 0.458 435 D N 0.165 120.566 120.400 0.002 0.000 2.097 435 D HA -0.167 4.451 4.640 -0.037 0.000 0.195 435 D C 1.911 178.213 176.300 0.003 0.000 0.989 435 D CA 1.080 55.081 54.000 0.002 0.000 0.827 435 D CB -0.203 40.599 40.800 0.003 0.000 0.966 435 D HN 0.400 nan 8.370 nan 0.000 0.456 436 Q N 0.233 120.034 119.800 0.002 0.000 2.170 436 Q HA -0.106 4.212 4.340 -0.037 0.000 0.203 436 Q C 1.857 177.858 176.000 0.002 0.000 0.976 436 Q CA 0.647 56.451 55.803 0.002 0.000 0.858 436 Q CB -0.056 28.683 28.738 0.001 0.000 0.907 436 Q HN 0.261 nan 8.270 nan 0.000 0.433 437 N N 0.265 118.967 118.700 0.002 0.000 2.120 437 N HA -0.121 4.597 4.740 -0.037 0.000 0.188 437 N C 1.912 177.423 175.510 0.003 0.000 1.024 437 N CA 1.028 54.080 53.050 0.002 0.000 0.852 437 N CB -0.284 38.205 38.487 0.002 0.000 1.003 437 N HN 0.053 nan 8.380 nan 0.000 0.424 438 V N 0.944 120.859 119.914 0.003 0.000 2.343 438 V HA -0.159 3.939 4.120 -0.037 0.000 0.247 438 V C 2.461 178.557 176.094 0.003 0.000 1.051 438 V CA 2.016 64.318 62.300 0.003 0.000 1.036 438 V CB -1.255 30.570 31.823 0.003 0.000 0.654 438 V HN 0.340 nan 8.190 nan 0.000 0.451 439 G N -0.037 108.765 108.800 0.003 0.000 2.440 439 G HA2 -0.238 3.700 3.960 -0.037 0.000 0.218 439 G HA3 -0.238 3.700 3.960 -0.037 0.000 0.218 439 G C 1.564 176.466 174.900 0.003 0.000 1.154 439 G CA 1.122 46.224 45.100 0.004 0.000 0.767 439 G HN 0.492 nan 8.290 nan 0.000 0.552 440 I N 0.266 120.838 120.570 0.003 0.000 2.226 440 I HA -0.146 4.002 4.170 -0.037 0.000 0.245 440 I C 2.700 178.819 176.117 0.004 0.000 1.100 440 I CA 1.020 62.322 61.300 0.003 0.000 1.374 440 I CB -0.148 37.854 38.000 0.003 0.000 1.057 440 I HN 0.035 nan 8.210 nan 0.000 0.413 441 K N 0.597 120.999 120.400 0.004 0.000 2.097 441 K HA -0.064 4.233 4.320 -0.037 0.000 0.205 441 K C 2.156 178.759 176.600 0.005 0.000 1.050 441 K CA 0.948 57.238 56.287 0.005 0.000 0.938 441 K CB -0.647 31.855 32.500 0.004 0.000 0.718 441 K HN 0.206 nan 8.250 nan 0.000 0.442 442 V N 1.743 121.660 119.914 0.005 0.000 2.287 442 V HA -0.269 3.828 4.120 -0.037 0.000 0.248 442 V C 2.488 178.585 176.094 0.006 0.000 1.053 442 V CA 2.099 64.403 62.300 0.006 0.000 1.027 442 V CB -0.787 31.039 31.823 0.006 0.000 0.646 442 V HN 0.300 nan 8.190 nan 0.000 0.447 443 A N -0.390 122.433 122.820 0.006 0.000 1.873 443 A HA -0.112 4.186 4.320 -0.037 0.000 0.215 443 A C 2.190 179.779 177.584 0.007 0.000 1.186 443 A CA 1.634 53.675 52.037 0.006 0.000 0.616 443 A CB -0.511 18.492 19.000 0.004 0.000 0.823 443 A HN 0.496 nan 8.150 nan 0.000 0.442 444 L N -1.317 119.910 121.223 0.007 0.000 2.083 444 L HA -0.157 4.161 4.340 -0.037 0.000 0.209 444 L C 2.825 179.700 176.870 0.009 0.000 1.083 444 L CA 1.486 56.331 54.840 0.008 0.000 0.752 444 L CB -0.499 41.565 42.059 0.008 0.000 0.899 444 L HN 0.400 nan 8.230 nan 0.000 0.433 445 R N 0.087 120.592 120.500 0.008 0.000 2.075 445 R HA -0.131 4.187 4.340 -0.037 0.000 0.232 445 R C 2.399 178.704 176.300 0.008 0.000 1.126 445 R CA 1.344 57.449 56.100 0.008 0.000 0.963 445 R CB -0.235 30.069 30.300 0.006 0.000 0.858 445 R HN 0.344 nan 8.270 nan 0.000 0.435 446 A N 0.516 123.341 122.820 0.008 0.000 1.972 446 A HA -0.158 4.140 4.320 -0.037 0.000 0.219 446 A C 2.024 179.615 177.584 0.011 0.000 1.169 446 A CA 1.262 53.305 52.037 0.009 0.000 0.635 446 A CB -0.375 18.631 19.000 0.010 0.000 0.810 446 A HN 0.293 nan 8.150 nan 0.000 0.446 447 M N -0.667 118.940 119.600 0.011 0.000 2.629 447 M HA -0.119 4.339 4.480 -0.037 0.000 0.257 447 M C 1.423 177.730 176.300 0.013 0.000 1.071 447 M CA 1.038 56.346 55.300 0.012 0.000 1.077 447 M CB -0.206 32.401 32.600 0.013 0.000 1.423 447 M HN 0.469 nan 8.290 nan 0.000 0.508 448 E N -0.044 120.163 120.200 0.011 0.000 2.400 448 E HA 0.047 4.375 4.350 -0.037 0.000 0.195 448 E C 2.065 178.670 176.600 0.008 0.000 1.012 448 E CA 0.365 56.771 56.400 0.010 0.000 0.875 448 E CB 0.121 29.826 29.700 0.009 0.000 0.859 448 E HN 0.481 nan 8.360 nan 0.000 0.498 449 A N 2.439 125.264 122.820 0.008 0.000 1.884 449 A HA -0.180 4.118 4.320 -0.037 0.000 0.219 449 A C -0.347 177.242 177.584 0.008 0.000 1.197 449 A CA 1.564 53.605 52.037 0.007 0.000 0.637 449 A CB -1.572 17.434 19.000 0.009 0.000 0.827 449 A HN 0.133 nan 8.150 nan 0.000 0.450 450 P HA -0.184 nan 4.420 nan 0.000 0.213 450 P C 1.879 179.185 177.300 0.011 0.000 1.170 450 P CA 1.121 64.227 63.100 0.011 0.000 0.902 450 P CB -0.171 31.536 31.700 0.012 0.000 0.789 451 L N -0.854 120.376 121.223 0.011 0.000 1.989 451 L HA -0.252 4.066 4.340 -0.037 0.000 0.211 451 L C 2.532 179.406 176.870 0.006 0.000 1.071 451 L CA 1.869 56.717 54.840 0.013 0.000 0.749 451 L CB -0.360 41.706 42.059 0.011 0.000 0.890 451 L HN -0.160 nan 8.230 nan 0.000 0.431 452 R N -0.718 119.781 120.500 -0.002 0.000 2.103 452 R HA -0.277 4.040 4.340 -0.037 0.000 0.242 452 R C 2.301 178.599 176.300 -0.003 0.000 1.142 452 R CA 2.059 58.153 56.100 -0.009 0.000 0.960 452 R CB -0.376 29.919 30.300 -0.007 0.000 0.858 452 R HN 0.402 nan 8.270 nan 0.000 0.439 453 Q N 0.865 120.667 119.800 0.003 0.000 2.084 453 Q HA -0.102 4.216 4.340 -0.037 0.000 0.202 453 Q C 1.841 177.847 176.000 0.010 0.000 0.978 453 Q CA 1.607 57.413 55.803 0.005 0.000 0.844 453 Q CB -0.159 28.583 28.738 0.006 0.000 0.898 453 Q HN 0.365 nan 8.270 nan 0.000 0.426 454 I N -0.645 119.934 120.570 0.015 0.000 2.163 454 I HA -0.300 3.848 4.170 -0.037 0.000 0.243 454 I C 2.056 178.197 176.117 0.039 0.000 1.085 454 I CA 1.191 62.506 61.300 0.025 0.000 1.347 454 I CB -0.401 37.618 38.000 0.032 0.000 1.044 454 I HN 0.090 nan 8.210 nan 0.000 0.408 455 V N 0.602 120.537 119.914 0.036 0.000 2.407 455 V HA -0.264 3.834 4.120 -0.037 0.000 0.248 455 V C 2.359 178.463 176.094 0.015 0.000 1.055 455 V CA 1.534 63.852 62.300 0.031 0.000 1.049 455 V CB -0.496 31.294 31.823 -0.055 0.000 0.662 455 V HN 0.354 nan 8.190 nan 0.000 0.455 456 L N 0.791 122.017 121.223 0.005 0.000 2.046 456 L HA -0.133 4.185 4.340 -0.037 0.000 0.208 456 L C 2.177 179.053 176.870 0.011 0.000 1.077 456 L CA 1.931 56.773 54.840 0.004 0.000 0.747 456 L CB -0.851 41.208 42.059 0.001 0.000 0.896 456 L HN 0.307 nan 8.230 nan 0.000 0.432 457 N N -1.092 117.616 118.700 0.014 0.000 2.289 457 N HA -0.160 4.558 4.740 -0.037 0.000 0.184 457 N C 1.725 177.246 175.510 0.017 0.000 1.016 457 N CA 1.588 54.646 53.050 0.013 0.000 0.872 457 N CB -0.745 37.749 38.487 0.011 0.000 0.973 457 N HN 0.419 nan 8.380 nan 0.000 0.433 458 C N -0.454 118.863 119.300 0.029 0.000 2.522 458 C HA 0.248 4.685 4.460 -0.037 0.000 0.271 458 C C 1.592 176.602 174.990 0.034 0.000 1.425 458 C CA 0.323 59.364 59.018 0.038 0.000 1.751 458 C CB -1.238 26.545 27.740 0.073 0.000 1.775 458 C HN 0.625 nan 8.230 nan 0.000 0.557 459 G N 1.122 109.937 108.800 0.025 0.000 2.160 459 G HA2 -0.155 3.782 3.960 -0.037 0.000 0.244 459 G HA3 -0.155 3.782 3.960 -0.037 0.000 0.244 459 G C -0.292 174.621 174.900 0.020 0.000 1.022 459 G CA 0.138 45.250 45.100 0.019 0.000 0.741 459 G HN 0.510 nan 8.290 nan 0.000 0.508 460 E N -0.151 120.060 120.200 0.017 0.000 2.281 460 E HA 0.441 4.769 4.350 -0.037 0.000 0.257 460 E C 0.032 176.619 176.600 -0.021 0.000 0.971 460 E CA -0.853 55.549 56.400 0.003 0.000 0.839 460 E CB 0.805 30.505 29.700 0.001 0.000 1.238 460 E HN 0.444 nan 8.360 nan 0.000 0.412 461 E N 1.774 121.954 120.200 -0.033 0.000 2.052 461 E HA 0.112 4.440 4.350 -0.037 0.000 0.283 461 E C -1.714 174.851 176.600 -0.058 0.000 1.071 461 E CA -1.570 54.810 56.400 -0.034 0.000 0.851 461 E CB 0.813 30.499 29.700 -0.023 0.000 1.066 461 E HN 0.113 nan 8.360 nan 0.000 0.396 462 P HA -0.241 nan 4.420 nan 0.000 0.216 462 P C 1.024 178.295 177.300 -0.049 0.000 1.157 462 P CA 1.302 64.369 63.100 -0.054 0.000 0.880 462 P CB 0.296 31.978 31.700 -0.029 0.000 0.791 463 S N -0.779 114.902 115.700 -0.031 0.000 2.370 463 S HA -0.127 4.320 4.470 -0.037 0.000 0.226 463 S C 2.022 176.609 174.600 -0.023 0.000 1.033 463 S CA 1.448 59.636 58.200 -0.021 0.000 1.011 463 S CB -1.365 61.827 63.200 -0.014 0.000 0.852 463 S HN -0.032 nan 8.310 nan 0.000 0.457 464 V N 1.581 121.477 119.914 -0.030 0.000 2.261 464 V HA -0.136 3.962 4.120 -0.037 0.000 0.246 464 V C 2.375 178.456 176.094 -0.022 0.000 1.047 464 V CA 1.492 63.778 62.300 -0.024 0.000 1.015 464 V CB -0.845 30.965 31.823 -0.022 0.000 0.642 464 V HN 0.353 nan 8.190 nan 0.000 0.446 465 V N 0.422 120.289 119.914 -0.078 0.000 2.343 465 V HA -0.240 3.858 4.120 -0.037 0.000 0.247 465 V C 2.741 178.817 176.094 -0.031 0.000 1.051 465 V CA 1.964 64.190 62.300 -0.124 0.000 1.036 465 V CB -1.252 30.278 31.823 -0.488 0.000 0.654 465 V HN 0.546 nan 8.190 nan 0.000 0.451 466 A N 0.376 123.171 122.820 -0.042 0.000 1.908 466 A HA -0.305 3.992 4.320 -0.037 0.000 0.218 466 A C 2.080 179.681 177.584 0.029 0.000 1.181 466 A CA 2.470 54.505 52.037 -0.003 0.000 0.627 466 A CB -0.859 18.135 19.000 -0.009 0.000 0.818 466 A HN 0.598 nan 8.150 nan 0.000 0.445 467 N N -0.625 118.087 118.700 0.020 0.000 2.058 467 N HA -0.120 4.598 4.740 -0.037 0.000 0.191 467 N C 1.760 177.299 175.510 0.049 0.000 1.037 467 N CA 2.314 55.380 53.050 0.026 0.000 0.848 467 N CB -0.494 37.998 38.487 0.008 0.000 1.021 467 N HN 0.407 nan 8.380 nan 0.000 0.422 468 T N -0.253 114.334 114.554 0.056 0.000 2.684 468 T HA -0.107 4.221 4.350 -0.037 0.000 0.267 468 T C 1.967 176.788 174.700 0.201 0.000 1.036 468 T CA 1.358 63.498 62.100 0.066 0.000 1.148 468 T CB -0.497 68.341 68.868 -0.050 0.000 0.863 468 T HN 0.015 nan 8.240 nan 0.000 0.436 469 V N 1.400 121.452 119.914 0.229 0.000 2.343 469 V HA -0.171 3.927 4.120 -0.037 0.000 0.247 469 V C 2.475 178.688 176.094 0.199 0.000 1.051 469 V CA 1.536 63.968 62.300 0.219 0.000 1.036 469 V CB -0.482 31.410 31.823 0.115 0.000 0.654 469 V HN 0.468 nan 8.190 nan 0.000 0.451 470 K N 0.118 120.594 120.400 0.127 0.000 2.147 470 K HA -0.118 4.180 4.320 -0.037 0.000 0.205 470 K C 2.204 178.863 176.600 0.099 0.000 1.049 470 K CA 1.330 57.675 56.287 0.096 0.000 0.936 470 K CB -0.540 31.995 32.500 0.058 0.000 0.722 470 K HN 0.581 nan 8.250 nan 0.000 0.446 471 G N 1.120 109.983 108.800 0.106 0.000 2.422 471 G HA2 -0.125 3.813 3.960 -0.037 0.000 0.218 471 G HA3 -0.125 3.813 3.960 -0.037 0.000 0.218 471 G C 0.865 175.802 174.900 0.062 0.000 1.140 471 G CA 0.747 45.887 45.100 0.066 0.000 0.775 471 G HN 0.386 nan 8.290 nan 0.000 0.545 472 G N -0.758 108.142 108.800 0.166 0.000 2.525 472 G HA2 0.448 4.386 3.960 -0.037 0.000 0.276 472 G HA3 0.448 4.386 3.960 -0.037 0.000 0.276 472 G C -0.714 174.253 174.900 0.112 0.000 1.388 472 G CA -0.261 44.888 45.100 0.081 0.000 1.050 472 G HN 0.205 nan 8.290 nan 0.000 0.520 473 D N -2.093 118.368 120.400 0.102 0.000 2.579 473 D HA 0.501 5.119 4.640 -0.037 0.000 0.257 473 D C 0.854 177.231 176.300 0.128 0.000 1.176 473 D CA 0.595 54.648 54.000 0.090 0.000 0.914 473 D CB 1.667 42.483 40.800 0.026 0.000 1.431 473 D HN 0.847 nan 8.370 nan 0.000 0.454 474 G N 1.181 110.034 108.800 0.089 0.000 2.614 474 G HA2 -0.359 3.578 3.960 -0.037 0.000 0.303 474 G HA3 -0.359 3.578 3.960 -0.037 0.000 0.303 474 G C 0.333 175.296 174.900 0.106 0.000 1.270 474 G CA 0.544 45.694 45.100 0.083 0.000 0.988 474 G HN 0.584 nan 8.290 nan 0.000 0.551 475 N N 0.115 118.876 118.700 0.101 0.000 2.375 475 N HA 0.311 5.029 4.740 -0.037 0.000 0.220 475 N C 0.034 175.617 175.510 0.122 0.000 1.170 475 N CA 0.091 53.195 53.050 0.089 0.000 0.833 475 N CB 0.103 38.624 38.487 0.057 0.000 1.069 475 N HN 0.536 nan 8.380 nan 0.000 0.479 476 Y N 0.660 120.991 120.300 0.052 0.000 2.402 476 Y HA 0.507 5.035 4.550 -0.037 0.000 0.333 476 Y C 0.718 176.680 175.900 0.103 0.000 1.076 476 Y CA -0.186 57.959 58.100 0.076 0.000 1.299 476 Y CB 0.132 38.639 38.460 0.078 0.000 1.197 476 Y HN 0.046 nan 8.280 nan 0.000 0.517 477 G N 4.079 112.576 108.800 -0.505 0.000 2.846 477 G HA2 0.241 4.179 3.960 -0.037 0.000 0.299 477 G HA3 0.241 4.179 3.960 -0.037 0.000 0.299 477 G C -2.379 172.295 174.900 -0.376 0.000 1.242 477 G CA -0.875 43.997 45.100 -0.381 0.000 0.800 477 G HN 0.557 nan 8.290 nan 0.000 0.538 478 Y N 1.548 121.598 120.300 -0.418 0.000 2.328 478 Y HA 0.561 5.089 4.550 -0.037 0.000 0.333 478 Y C -0.167 175.512 175.900 -0.368 0.000 0.958 478 Y CA -1.413 56.321 58.100 -0.610 0.000 1.167 478 Y CB 1.533 39.590 38.460 -0.671 0.000 1.151 478 Y HN 0.395 nan 8.280 nan 0.000 0.470 479 N N 5.134 123.370 118.700 -0.773 0.000 2.508 479 N HA 0.117 4.835 4.740 -0.037 0.000 0.253 479 N C 0.740 175.713 175.510 -0.894 0.000 1.145 479 N CA 0.700 53.396 53.050 -0.590 0.000 0.973 479 N CB 1.021 39.274 38.487 -0.390 0.000 1.305 479 N HN 0.939 nan 8.380 nan 0.000 0.506 480 A N 3.765 126.180 122.820 -0.675 0.000 1.986 480 A HA -0.164 4.134 4.320 -0.037 0.000 0.220 480 A C 2.109 179.514 177.584 -0.298 0.000 1.171 480 A CA 1.919 53.682 52.037 -0.457 0.000 0.640 480 A CB -0.572 18.387 19.000 -0.069 0.000 0.811 480 A HN 0.694 nan 8.150 nan 0.000 0.451 481 A N -0.810 121.862 122.820 -0.245 0.000 1.930 481 A HA -0.030 4.267 4.320 -0.037 0.000 0.217 481 A C 2.243 179.734 177.584 -0.155 0.000 1.175 481 A CA 2.320 54.265 52.037 -0.154 0.000 0.627 481 A CB -0.775 18.153 19.000 -0.120 0.000 0.815 481 A HN 0.892 nan 8.150 nan 0.000 0.443 482 T N -4.244 110.177 114.554 -0.221 0.000 3.040 482 T HA 0.278 4.606 4.350 -0.037 0.000 0.266 482 T C 0.212 174.800 174.700 -0.186 0.000 1.005 482 T CA 0.670 62.670 62.100 -0.165 0.000 0.906 482 T CB -0.223 68.565 68.868 -0.134 0.000 1.082 482 T HN 0.563 nan 8.240 nan 0.000 0.531 483 E N 0.884 120.873 120.200 -0.351 0.000 2.791 483 E HA -0.139 4.189 4.350 -0.037 0.000 0.271 483 E C -0.884 175.615 176.600 -0.169 0.000 1.044 483 E CA 0.581 56.815 56.400 -0.277 0.000 0.814 483 E CB -1.169 28.549 29.700 0.030 0.000 1.400 483 E HN 0.606 nan 8.360 nan 0.000 0.423 484 E N 0.126 120.143 120.200 -0.304 0.000 2.183 484 E HA 0.355 4.683 4.350 -0.037 0.000 0.271 484 E C -0.474 176.043 176.600 -0.139 0.000 0.919 484 E CA -0.576 55.774 56.400 -0.083 0.000 0.781 484 E CB 0.811 30.480 29.700 -0.051 0.000 1.140 484 E HN 0.060 nan 8.360 nan 0.000 0.402 485 Y N 0.388 120.710 120.300 0.036 0.000 2.335 485 Y HA 0.608 5.135 4.550 -0.037 0.000 0.323 485 Y C 1.199 177.127 175.900 0.047 0.000 1.224 485 Y CA 0.297 58.396 58.100 -0.002 0.000 1.241 485 Y CB 1.820 40.343 38.460 0.106 0.000 1.235 485 Y HN 0.665 nan 8.280 nan 0.000 0.492 486 G N 1.025 109.892 108.800 0.112 0.000 2.323 486 G HA2 -0.017 3.921 3.960 -0.037 0.000 0.291 486 G HA3 -0.017 3.921 3.960 -0.037 0.000 0.291 486 G C -1.775 173.217 174.900 0.153 0.000 1.278 486 G CA -1.204 44.031 45.100 0.225 0.000 0.860 486 G HN 0.520 nan 8.290 nan 0.000 0.504 487 N N 1.147 119.936 118.700 0.148 0.000 2.405 487 N HA 0.103 4.820 4.740 -0.037 0.000 0.260 487 N C 1.745 177.274 175.510 0.031 0.000 1.152 487 N CA -0.475 52.640 53.050 0.107 0.000 0.948 487 N CB 0.780 39.325 38.487 0.096 0.000 1.111 487 N HN 0.372 nan 8.380 nan 0.000 0.485 488 M N 3.583 123.185 119.600 0.003 0.000 2.082 488 M HA -0.198 4.260 4.480 -0.037 0.000 0.258 488 M C 1.707 178.000 176.300 -0.013 0.000 1.069 488 M CA 1.249 56.533 55.300 -0.027 0.000 1.102 488 M CB -0.680 31.900 32.600 -0.033 0.000 1.336 488 M HN 0.558 nan 8.290 nan 0.000 0.404 489 I N 0.435 121.008 120.570 0.006 0.000 2.179 489 I HA -0.275 3.873 4.170 -0.037 0.000 0.242 489 I C 1.941 178.061 176.117 0.005 0.000 1.088 489 I CA 1.500 62.804 61.300 0.006 0.000 1.357 489 I CB -1.670 36.339 38.000 0.015 0.000 1.051 489 I HN 0.244 nan 8.210 nan 0.000 0.409 490 D N 0.769 121.176 120.400 0.012 0.000 2.117 490 D HA -0.158 4.459 4.640 -0.037 0.000 0.197 490 D C 2.173 178.473 176.300 -0.000 0.000 0.987 490 D CA 1.192 55.198 54.000 0.011 0.000 0.829 490 D CB -0.210 40.604 40.800 0.023 0.000 0.961 490 D HN 0.341 nan 8.370 nan 0.000 0.460 491 M N -0.476 119.119 119.600 -0.009 0.000 2.659 491 M HA 0.116 4.574 4.480 -0.037 0.000 0.243 491 M C 0.994 177.276 176.300 -0.031 0.000 1.111 491 M CA 0.524 55.809 55.300 -0.026 0.000 1.070 491 M CB 0.233 32.805 32.600 -0.047 0.000 1.525 491 M HN 0.063 nan 8.290 nan 0.000 0.517 492 G N 2.056 110.844 108.800 -0.021 0.000 2.198 492 G HA2 -0.255 3.683 3.960 -0.037 0.000 0.260 492 G HA3 -0.255 3.683 3.960 -0.037 0.000 0.260 492 G C -0.021 174.863 174.900 -0.027 0.000 1.025 492 G CA -0.117 44.971 45.100 -0.020 0.000 0.769 492 G HN 0.551 nan 8.290 nan 0.000 0.507 493 I N 0.831 121.382 120.570 -0.033 0.000 2.412 493 I HA 0.502 4.650 4.170 -0.037 0.000 0.279 493 I C 0.249 176.350 176.117 -0.026 0.000 1.063 493 I CA -0.893 60.384 61.300 -0.038 0.000 1.193 493 I CB 0.456 38.417 38.000 -0.063 0.000 1.370 493 I HN 0.221 nan 8.210 nan 0.000 0.479 494 L N 2.775 123.989 121.223 -0.015 0.000 2.322 494 L HA 0.823 5.141 4.340 -0.037 0.000 0.252 494 L C -1.118 175.752 176.870 -0.001 0.000 1.055 494 L CA -0.683 54.154 54.840 -0.006 0.000 0.849 494 L CB 1.433 43.492 42.059 -0.001 0.000 1.446 494 L HN 0.018 nan 8.230 nan 0.000 0.416 495 D N -0.652 119.750 120.400 0.004 0.000 2.819 495 D HA 0.440 5.058 4.640 -0.037 0.000 0.232 495 D C -2.811 173.497 176.300 0.013 0.000 1.160 495 D CA -1.111 52.895 54.000 0.009 0.000 0.858 495 D CB 2.753 43.559 40.800 0.010 0.000 1.610 495 D HN 0.367 nan 8.370 nan 0.000 0.481 496 P HA 0.073 nan 4.420 nan 0.000 0.267 496 P C 0.870 178.181 177.300 0.019 0.000 1.205 496 P CA 0.097 63.209 63.100 0.019 0.000 0.765 496 P CB 0.614 32.329 31.700 0.025 0.000 0.828 497 T N 2.531 117.095 114.554 0.017 0.000 2.760 497 T HA -0.236 4.092 4.350 -0.037 0.000 0.269 497 T C 1.594 176.304 174.700 0.017 0.000 1.047 497 T CA 1.385 63.495 62.100 0.016 0.000 1.139 497 T CB -0.272 68.605 68.868 0.014 0.000 0.855 497 T HN 0.500 nan 8.240 nan 0.000 0.471 498 K N 0.902 121.314 120.400 0.020 0.000 2.097 498 K HA -0.088 4.210 4.320 -0.037 0.000 0.205 498 K C 2.438 179.057 176.600 0.032 0.000 1.050 498 K CA 1.379 57.680 56.287 0.024 0.000 0.938 498 K CB -0.223 32.293 32.500 0.026 0.000 0.718 498 K HN 0.387 nan 8.250 nan 0.000 0.442 499 V N -1.076 118.858 119.914 0.032 0.000 2.379 499 V HA -0.140 3.958 4.120 -0.037 0.000 0.245 499 V C 1.821 177.939 176.094 0.039 0.000 1.044 499 V CA 2.133 64.456 62.300 0.038 0.000 1.036 499 V CB -0.790 31.051 31.823 0.030 0.000 0.664 499 V HN 0.220 nan 8.190 nan 0.000 0.453 500 T N 0.539 115.110 114.554 0.028 0.000 2.708 500 T HA -0.160 4.168 4.350 -0.037 0.000 0.266 500 T C 1.985 176.699 174.700 0.023 0.000 1.037 500 T CA 2.194 64.309 62.100 0.025 0.000 1.146 500 T CB -0.401 68.478 68.868 0.018 0.000 0.865 500 T HN 0.611 nan 8.240 nan 0.000 0.435 501 R N 0.912 121.421 120.500 0.016 0.000 2.083 501 R HA -0.126 4.192 4.340 -0.037 0.000 0.237 501 R C 2.568 178.865 176.300 -0.005 0.000 1.137 501 R CA 1.942 58.042 56.100 0.000 0.000 0.951 501 R CB -0.429 29.867 30.300 -0.007 0.000 0.851 501 R HN 0.251 nan 8.270 nan 0.000 0.434 502 S N 0.576 116.293 115.700 0.027 0.000 2.353 502 S HA -0.175 4.273 4.470 -0.037 0.000 0.222 502 S C 2.077 176.768 174.600 0.152 0.000 1.035 502 S CA 1.277 59.525 58.200 0.080 0.000 1.025 502 S CB -0.474 62.836 63.200 0.183 0.000 0.902 502 S HN 0.599 nan 8.310 nan 0.000 0.440 503 A N 1.437 124.334 122.820 0.128 0.000 1.903 503 A HA -0.161 4.136 4.320 -0.037 0.000 0.219 503 A C 2.176 179.814 177.584 0.091 0.000 1.191 503 A CA 1.873 53.981 52.037 0.117 0.000 0.638 503 A CB -0.895 18.145 19.000 0.066 0.000 0.823 503 A HN 0.413 nan 8.150 nan 0.000 0.451 504 L N -0.279 120.972 121.223 0.045 0.000 1.994 504 L HA -0.198 4.120 4.340 -0.037 0.000 0.208 504 L C 2.588 179.459 176.870 0.001 0.000 1.071 504 L CA 2.467 57.320 54.840 0.021 0.000 0.745 504 L CB -0.842 41.220 42.059 0.006 0.000 0.892 504 L HN 0.536 nan 8.230 nan 0.000 0.431 505 Q N -1.678 118.091 119.800 -0.051 0.000 2.061 505 Q HA -0.252 4.066 4.340 -0.037 0.000 0.204 505 Q C 2.205 178.123 176.000 -0.137 0.000 0.984 505 Q CA 2.155 57.878 55.803 -0.134 0.000 0.846 505 Q CB -0.434 28.155 28.738 -0.248 0.000 0.902 505 Q HN 0.511 nan 8.270 nan 0.000 0.421 506 Y N 0.351 120.650 120.300 -0.002 0.000 2.181 506 Y HA -0.194 4.334 4.550 -0.036 0.000 0.288 506 Y C 2.404 178.302 175.900 -0.002 0.000 1.146 506 Y CA 0.965 59.063 58.100 -0.003 0.000 1.164 506 Y CB -0.680 37.776 38.460 -0.006 0.000 0.982 506 Y HN 0.144 nan 8.280 nan 0.000 0.515 507 A N 0.046 122.956 122.820 0.149 0.000 1.845 507 A HA -0.145 4.152 4.320 -0.037 0.000 0.215 507 A C 2.485 180.102 177.584 0.056 0.000 1.195 507 A CA 2.042 54.130 52.037 0.086 0.000 0.616 507 A CB -1.377 17.659 19.000 0.060 0.000 0.832 507 A HN 0.382 nan 8.150 nan 0.000 0.443 508 A N -0.750 122.090 122.820 0.034 0.000 1.978 508 A HA -0.137 4.161 4.320 -0.037 0.000 0.220 508 A C 2.451 180.046 177.584 0.018 0.000 1.170 508 A CA 2.333 54.380 52.037 0.016 0.000 0.636 508 A CB -0.919 18.080 19.000 -0.002 0.000 0.810 508 A HN 0.621 nan 8.150 nan 0.000 0.448 509 S N -0.943 114.772 115.700 0.026 0.000 2.343 509 S HA -0.139 4.309 4.470 -0.037 0.000 0.219 509 S C 1.985 176.611 174.600 0.045 0.000 1.033 509 S CA 1.740 59.959 58.200 0.032 0.000 1.014 509 S CB -0.634 62.597 63.200 0.052 0.000 0.915 509 S HN 0.601 nan 8.310 nan 0.000 0.435 510 V N 1.828 121.780 119.914 0.063 0.000 2.427 510 V HA 0.013 4.111 4.120 -0.037 0.000 0.248 510 V C 2.606 178.720 176.094 0.034 0.000 1.051 510 V CA 2.032 64.361 62.300 0.049 0.000 1.048 510 V CB -1.103 30.750 31.823 0.051 0.000 0.666 510 V HN 0.601 nan 8.190 nan 0.000 0.456 511 A N 0.105 122.944 122.820 0.032 0.000 1.902 511 A HA -0.047 4.251 4.320 -0.037 0.000 0.217 511 A C 2.374 179.970 177.584 0.020 0.000 1.181 511 A CA 1.910 53.961 52.037 0.024 0.000 0.623 511 A CB -1.433 17.580 19.000 0.022 0.000 0.818 511 A HN 0.658 nan 8.150 nan 0.000 0.443 512 G N -0.248 108.563 108.800 0.019 0.000 2.418 512 G HA2 -0.166 3.772 3.960 -0.037 0.000 0.217 512 G HA3 -0.166 3.772 3.960 -0.037 0.000 0.217 512 G C 1.558 176.467 174.900 0.016 0.000 1.158 512 G CA 1.009 46.117 45.100 0.014 0.000 0.771 512 G HN 0.428 nan 8.290 nan 0.000 0.545 513 L N -0.279 120.956 121.223 0.020 0.000 2.017 513 L HA -0.069 4.249 4.340 -0.037 0.000 0.208 513 L C 3.139 180.020 176.870 0.019 0.000 1.073 513 L CA 1.149 56.001 54.840 0.020 0.000 0.745 513 L CB -0.341 41.732 42.059 0.023 0.000 0.894 513 L HN 0.254 nan 8.230 nan 0.000 0.432 514 M N -0.592 119.020 119.600 0.020 0.000 2.086 514 M HA -0.221 4.237 4.480 -0.037 0.000 0.261 514 M C 2.305 178.616 176.300 0.017 0.000 1.067 514 M CA 1.813 57.124 55.300 0.019 0.000 1.116 514 M CB -0.377 32.235 32.600 0.020 0.000 1.348 514 M HN 0.191 nan 8.290 nan 0.000 0.407 515 I N 0.137 120.717 120.570 0.016 0.000 2.423 515 I HA -0.230 3.917 4.170 -0.037 0.000 0.254 515 I C 1.719 177.845 176.117 0.015 0.000 1.151 515 I CA 1.466 62.775 61.300 0.014 0.000 1.421 515 I CB -0.542 37.466 38.000 0.013 0.000 1.079 515 I HN 0.406 nan 8.210 nan 0.000 0.431 516 T N -3.098 111.466 114.554 0.017 0.000 3.251 516 T HA 0.167 4.495 4.350 -0.037 0.000 0.259 516 T C 0.434 175.147 174.700 0.022 0.000 0.998 516 T CA -0.315 61.796 62.100 0.018 0.000 0.905 516 T CB -0.390 68.488 68.868 0.016 0.000 1.067 516 T HN -0.062 nan 8.240 nan 0.000 0.569 517 T N 1.992 116.559 114.554 0.022 0.000 2.795 517 T HA 0.369 4.697 4.350 -0.037 0.000 0.282 517 T C 0.495 175.213 174.700 0.029 0.000 0.980 517 T CA -0.577 61.537 62.100 0.024 0.000 1.012 517 T CB 1.747 70.627 68.868 0.020 0.000 0.936 517 T HN 0.081 nan 8.240 nan 0.000 0.457 518 E N 0.535 120.759 120.200 0.041 0.000 2.485 518 E HA 0.186 4.514 4.350 -0.037 0.000 0.213 518 E C 0.018 176.664 176.600 0.076 0.000 0.923 518 E CA 0.123 56.567 56.400 0.073 0.000 1.054 518 E CB 0.774 30.535 29.700 0.101 0.000 1.077 518 E HN 0.557 nan 8.360 nan 0.000 0.509 519 C N 0.597 119.898 119.300 0.003 0.000 2.783 519 C HA 0.695 5.133 4.460 -0.037 0.000 0.312 519 C C -1.316 173.608 174.990 -0.111 0.000 1.182 519 C CA -0.575 58.356 59.018 -0.144 0.000 1.432 519 C CB 0.524 28.181 27.740 -0.138 0.000 1.933 519 C HN 0.133 nan 8.230 nan 0.000 0.473 520 M N 4.959 124.475 119.600 -0.141 0.000 2.327 520 M HA 0.560 5.017 4.480 -0.037 0.000 0.298 520 M C -1.195 175.153 176.300 0.081 0.000 1.065 520 M CA -0.549 54.775 55.300 0.041 0.000 0.916 520 M CB 2.118 34.855 32.600 0.228 0.000 1.630 520 M HN 0.353 nan 8.290 nan 0.000 0.442 521 V N 1.431 121.361 119.914 0.027 0.000 2.487 521 V HA 0.757 4.855 4.120 -0.037 0.000 0.298 521 V C -0.277 175.764 176.094 -0.090 0.000 1.028 521 V CA -0.375 61.918 62.300 -0.011 0.000 0.860 521 V CB 1.920 33.723 31.823 -0.033 0.000 0.991 521 V HN 0.956 nan 8.190 nan 0.000 0.427 522 T N 2.346 116.799 114.554 -0.168 0.000 2.812 522 T HA 0.448 4.776 4.350 -0.037 0.000 0.294 522 T C -1.092 173.493 174.700 -0.192 0.000 1.159 522 T CA -0.520 61.417 62.100 -0.272 0.000 1.008 522 T CB 1.903 70.415 68.868 -0.592 0.000 1.289 522 T HN 0.682 nan 8.240 nan 0.000 0.514 523 D N 0.980 121.278 120.400 -0.169 0.000 2.357 523 D HA 0.414 5.032 4.640 -0.037 0.000 0.242 523 D C -0.359 175.881 176.300 -0.100 0.000 1.153 523 D CA -0.245 53.691 54.000 -0.106 0.000 0.918 523 D CB 0.407 41.157 40.800 -0.084 0.000 1.181 523 D HN 0.164 nan 8.370 nan 0.000 0.435 524 L N 2.888 124.081 121.223 -0.051 0.000 2.367 524 L HA 0.260 4.578 4.340 -0.037 0.000 0.275 524 L C -1.437 175.414 176.870 -0.032 0.000 1.129 524 L CA -1.249 53.575 54.840 -0.027 0.000 0.839 524 L CB -0.302 41.753 42.059 -0.006 0.000 1.133 524 L HN 0.415 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 525 P CB 0.000 31.698 31.700 -0.004 0.000 0.726