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 2nwc_1_F 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 3.074 125.895 122.820 0.001 0.000 2.462 3 A HA 0.614 4.934 4.320 -0.000 0.000 0.243 3 A C 0.293 177.881 177.584 0.006 0.000 1.076 3 A CA 0.147 52.188 52.037 0.008 0.000 0.773 3 A CB 0.228 19.235 19.000 0.013 0.000 1.010 3 A HN 0.630 nan 8.150 nan 0.000 0.493 4 K N 1.166 121.575 120.400 0.014 0.000 2.221 4 K HA 0.405 4.725 4.320 -0.000 0.000 0.243 4 K C -1.324 175.301 176.600 0.042 0.000 0.968 4 K CA -0.708 55.586 56.287 0.011 0.000 0.846 4 K CB 1.628 34.132 32.500 0.007 0.000 1.141 4 K HN 0.696 nan 8.250 nan 0.000 0.434 5 D N 1.366 121.799 120.400 0.054 0.000 2.349 5 D HA 0.293 4.933 4.640 -0.000 0.000 0.232 5 D C -1.181 175.276 176.300 0.262 0.000 1.071 5 D CA -0.520 53.581 54.000 0.167 0.000 0.832 5 D CB 1.039 41.966 40.800 0.211 0.000 1.086 5 D HN 0.055 nan 8.370 nan 0.000 0.504 6 V N 4.428 124.443 119.914 0.168 0.000 2.448 6 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 6 V C 0.267 176.269 176.094 -0.155 0.000 1.025 6 V CA -0.763 61.541 62.300 0.007 0.000 0.859 6 V CB 1.718 33.501 31.823 -0.067 0.000 0.988 6 V HN 0.343 nan 8.190 nan 0.000 0.431 7 K N 3.523 123.708 120.400 -0.358 0.000 2.318 7 K HA 0.751 5.071 4.320 -0.000 0.000 0.249 7 K C -1.588 174.674 176.600 -0.562 0.000 0.942 7 K CA -0.512 55.505 56.287 -0.449 0.000 0.808 7 K CB 2.458 34.528 32.500 -0.716 0.000 1.189 7 K HN 0.463 nan 8.250 nan 0.000 0.428 8 F N -0.175 119.722 119.950 -0.088 0.000 2.579 8 F HA 0.403 4.930 4.527 -0.000 0.000 0.324 8 F C 1.307 177.077 175.800 -0.050 0.000 1.058 8 F CA 0.000 57.972 58.000 -0.046 0.000 0.944 8 F CB 1.561 40.543 39.000 -0.030 0.000 1.245 8 F HN 0.819 nan 8.300 nan 0.000 0.477 9 G N 1.693 110.600 108.800 0.179 0.000 2.684 9 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.342 9 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.342 9 G C 1.321 176.244 174.900 0.038 0.000 1.316 9 G CA 1.003 46.158 45.100 0.091 0.000 0.994 9 G HN 0.866 nan 8.290 nan 0.000 0.541 10 N N 0.411 119.127 118.700 0.027 0.000 2.061 10 N HA -0.210 4.530 4.740 -0.000 0.000 0.193 10 N C 1.871 177.374 175.510 -0.013 0.000 1.030 10 N CA 2.384 55.438 53.050 0.006 0.000 0.856 10 N CB -0.336 38.154 38.487 0.005 0.000 1.023 10 N HN 0.576 nan 8.380 nan 0.000 0.424 11 D N 0.468 120.856 120.400 -0.020 0.000 2.116 11 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 11 D C 1.879 178.108 176.300 -0.117 0.000 0.998 11 D CA 1.665 55.626 54.000 -0.064 0.000 0.836 11 D CB -0.430 40.333 40.800 -0.063 0.000 0.951 11 D HN 0.417 nan 8.370 nan 0.000 0.449 12 A N 0.864 123.615 122.820 -0.116 0.000 1.883 12 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 12 A C 2.250 179.798 177.584 -0.061 0.000 1.186 12 A CA 2.401 54.352 52.037 -0.143 0.000 0.624 12 A CB -0.697 18.240 19.000 -0.105 0.000 0.822 12 A HN 0.510 nan 8.150 nan 0.000 0.444 13 R N 0.136 120.619 120.500 -0.027 0.000 2.193 13 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 13 R C 1.692 177.990 176.300 -0.003 0.000 1.055 13 R CA 1.305 57.403 56.100 -0.004 0.000 0.995 13 R CB -1.005 29.299 30.300 0.005 0.000 0.893 13 R HN 0.466 nan 8.270 nan 0.000 0.459 14 V N -0.607 119.298 119.914 -0.014 0.000 2.427 14 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 14 V C 1.958 178.051 176.094 -0.003 0.000 1.051 14 V CA 1.103 63.398 62.300 -0.009 0.000 1.048 14 V CB -0.429 31.386 31.823 -0.014 0.000 0.666 14 V HN 0.080 nan 8.190 nan 0.000 0.456 15 K N -0.035 120.357 120.400 -0.013 0.000 2.026 15 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 15 K C 2.181 178.811 176.600 0.050 0.000 1.048 15 K CA 2.224 58.523 56.287 0.019 0.000 0.929 15 K CB -0.534 31.971 32.500 0.008 0.000 0.713 15 K HN 0.541 nan 8.250 nan 0.000 0.439 16 M N 0.557 120.184 119.600 0.045 0.000 2.086 16 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 16 M C 2.147 178.467 176.300 0.033 0.000 1.067 16 M CA 1.207 56.537 55.300 0.049 0.000 1.116 16 M CB -0.161 32.464 32.600 0.042 0.000 1.348 16 M HN 0.065 nan 8.290 nan 0.000 0.407 17 L N 0.204 121.441 121.223 0.023 0.000 2.012 17 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 17 L C 2.351 179.232 176.870 0.018 0.000 1.073 17 L CA 1.985 56.836 54.840 0.018 0.000 0.748 17 L CB -0.720 41.347 42.059 0.013 0.000 0.891 17 L HN 0.263 nan 8.230 nan 0.000 0.431 18 R N -0.600 119.911 120.500 0.020 0.000 2.105 18 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 18 R C 2.189 178.503 176.300 0.022 0.000 1.135 18 R CA 1.506 57.618 56.100 0.019 0.000 0.967 18 R CB -0.847 29.465 30.300 0.021 0.000 0.861 18 R HN 0.543 nan 8.270 nan 0.000 0.442 19 G N -0.135 108.682 108.800 0.029 0.000 2.418 19 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 19 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 19 G C 1.369 176.280 174.900 0.019 0.000 1.158 19 G CA 0.930 46.046 45.100 0.027 0.000 0.771 19 G HN 0.362 nan 8.290 nan 0.000 0.545 20 V N -0.196 119.729 119.914 0.019 0.000 2.667 20 V HA -0.053 4.067 4.120 -0.000 0.000 0.252 20 V C 2.197 178.298 176.094 0.012 0.000 1.065 20 V CA 2.032 64.341 62.300 0.015 0.000 1.083 20 V CB -0.515 31.318 31.823 0.016 0.000 0.692 20 V HN 0.168 nan 8.190 nan 0.000 0.468 21 N N 1.187 119.895 118.700 0.012 0.000 2.120 21 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 21 N C 1.801 177.316 175.510 0.008 0.000 1.024 21 N CA 1.903 54.959 53.050 0.010 0.000 0.852 21 N CB -0.633 37.860 38.487 0.010 0.000 1.003 21 N HN 0.519 nan 8.380 nan 0.000 0.424 22 V N 1.299 121.218 119.914 0.009 0.000 2.295 22 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 22 V C 2.372 178.468 176.094 0.004 0.000 1.049 22 V CA 1.077 63.380 62.300 0.006 0.000 1.024 22 V CB -0.632 31.195 31.823 0.007 0.000 0.648 22 V HN 0.193 nan 8.190 nan 0.000 0.447 23 L N 1.075 122.301 121.223 0.004 0.000 1.976 23 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 23 L C 2.479 179.350 176.870 0.002 0.000 1.071 23 L CA 2.551 57.392 54.840 0.002 0.000 0.746 23 L CB -1.045 41.016 42.059 0.002 0.000 0.890 23 L HN 0.205 nan 8.230 nan 0.000 0.432 24 A N -0.795 122.028 122.820 0.004 0.000 1.877 24 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 24 A C 1.982 179.568 177.584 0.003 0.000 1.186 24 A CA 1.935 53.975 52.037 0.005 0.000 0.620 24 A CB -0.986 18.018 19.000 0.007 0.000 0.822 24 A HN 0.578 nan 8.150 nan 0.000 0.443 25 D N -0.006 120.396 120.400 0.003 0.000 2.178 25 D HA -0.014 4.626 4.640 -0.000 0.000 0.201 25 D C 2.095 178.396 176.300 0.000 0.000 0.980 25 D CA 1.372 55.373 54.000 0.002 0.000 0.842 25 D CB -0.324 40.477 40.800 0.003 0.000 0.948 25 D HN 0.451 nan 8.370 nan 0.000 0.472 26 A N 0.108 122.927 122.820 -0.001 0.000 1.929 26 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 26 A C 2.387 179.969 177.584 -0.004 0.000 1.176 26 A CA 0.779 52.814 52.037 -0.003 0.000 0.628 26 A CB -0.300 18.698 19.000 -0.004 0.000 0.816 26 A HN 0.156 nan 8.150 nan 0.000 0.444 27 V N 0.904 120.816 119.914 -0.003 0.000 2.685 27 V HA -0.133 3.987 4.120 -0.000 0.000 0.244 27 V C 2.503 178.596 176.094 -0.002 0.000 1.054 27 V CA 1.794 64.092 62.300 -0.004 0.000 1.076 27 V CB -0.303 31.518 31.823 -0.004 0.000 0.725 27 V HN 0.797 nan 8.190 nan 0.000 0.467 28 K N 1.412 121.812 120.400 0.000 0.000 2.280 28 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 28 K C 1.795 178.396 176.600 0.001 0.000 1.047 28 K CA 1.921 58.209 56.287 0.002 0.000 0.942 28 K CB -0.612 31.890 32.500 0.004 0.000 0.739 28 K HN 0.493 nan 8.250 nan 0.000 0.457 29 V N 0.136 120.050 119.914 -0.000 0.000 3.141 29 V HA -0.103 4.017 4.120 -0.000 0.000 0.265 29 V C 2.112 178.205 176.094 -0.002 0.000 1.126 29 V CA 1.666 63.965 62.300 -0.001 0.000 1.141 29 V CB -1.081 30.741 31.823 -0.002 0.000 0.743 29 V HN 0.524 nan 8.190 nan 0.000 0.492 30 T N -2.477 112.075 114.554 -0.003 0.000 3.081 30 T HA 0.260 4.610 4.350 -0.000 0.000 0.250 30 T C 0.519 175.217 174.700 -0.004 0.000 1.100 30 T CA -0.120 61.977 62.100 -0.005 0.000 1.038 30 T CB -0.185 68.679 68.868 -0.007 0.000 0.962 30 T HN 0.329 nan 8.240 nan 0.000 0.516 31 L N 2.543 123.766 121.223 -0.001 0.000 2.367 31 L HA 0.574 4.914 4.340 -0.000 0.000 0.275 31 L C 0.922 177.794 176.870 0.002 0.000 1.129 31 L CA 1.464 56.305 54.840 0.001 0.000 0.839 31 L CB -0.232 41.830 42.059 0.004 0.000 1.133 31 L HN 0.693 nan 8.230 nan 0.000 0.453 32 G N 4.395 113.194 108.800 -0.001 0.000 2.757 32 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.638 32 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.638 32 G C -2.027 172.867 174.900 -0.009 0.000 1.344 32 G CA -0.396 44.703 45.100 -0.003 0.000 0.855 32 G HN 0.507 nan 8.290 nan 0.000 0.537 33 P HA 0.044 nan 4.420 nan 0.000 0.217 33 P C 1.252 178.542 177.300 -0.016 0.000 1.150 33 P CA 1.418 64.504 63.100 -0.024 0.000 0.832 33 P CB 0.087 31.763 31.700 -0.041 0.000 0.787 34 K N 0.152 120.547 120.400 -0.009 0.000 2.684 34 K HA 0.232 4.552 4.320 -0.000 0.000 0.215 34 K C 0.779 177.378 176.600 -0.001 0.000 1.073 34 K CA -0.297 55.988 56.287 -0.004 0.000 1.197 34 K CB -0.063 32.439 32.500 0.003 0.000 0.955 34 K HN 0.087 nan 8.250 nan 0.000 0.473 35 G N 1.393 110.191 108.800 -0.004 0.000 2.432 35 G HA2 0.003 3.963 3.960 -0.000 0.000 0.239 35 G HA3 0.003 3.963 3.960 -0.000 0.000 0.239 35 G C 0.179 175.076 174.900 -0.005 0.000 1.291 35 G CA -0.412 44.685 45.100 -0.003 0.000 0.863 35 G HN 0.172 nan 8.290 nan 0.000 0.560 36 R N 1.102 121.600 120.500 -0.004 0.000 2.546 36 R HA 0.178 4.518 4.340 -0.000 0.000 0.266 36 R C 0.082 176.378 176.300 -0.007 0.000 1.086 36 R CA -0.663 55.434 56.100 -0.005 0.000 1.160 36 R CB 0.410 30.708 30.300 -0.004 0.000 1.138 36 R HN 0.635 nan 8.270 nan 0.000 0.567 37 N N -0.769 117.926 118.700 -0.008 0.000 2.529 37 N HA 0.241 4.981 4.740 -0.000 0.000 0.278 37 N C -0.894 174.609 175.510 -0.011 0.000 1.146 37 N CA -0.322 52.721 53.050 -0.011 0.000 0.980 37 N CB 1.188 39.668 38.487 -0.012 0.000 1.124 37 N HN 0.104 nan 8.380 nan 0.000 0.458 38 V N 2.143 122.049 119.914 -0.012 0.000 2.495 38 V HA 0.338 4.458 4.120 -0.000 0.000 0.298 38 V C -0.301 175.782 176.094 -0.017 0.000 1.031 38 V CA -0.822 61.470 62.300 -0.013 0.000 0.871 38 V CB 1.768 33.584 31.823 -0.012 0.000 0.988 38 V HN 0.325 nan 8.190 nan 0.000 0.432 39 V N 6.474 126.377 119.914 -0.019 0.000 2.370 39 V HA 0.464 4.584 4.120 -0.000 0.000 0.279 39 V C -0.185 175.893 176.094 -0.027 0.000 1.029 39 V CA -0.370 61.915 62.300 -0.025 0.000 0.870 39 V CB 1.231 33.039 31.823 -0.026 0.000 0.984 39 V HN 0.612 nan 8.190 nan 0.000 0.451 40 L N 3.761 124.965 121.223 -0.032 0.000 2.313 40 L HA 0.561 4.901 4.340 -0.000 0.000 0.283 40 L C -0.334 176.508 176.870 -0.047 0.000 1.013 40 L CA -0.613 54.208 54.840 -0.032 0.000 0.816 40 L CB 1.858 43.901 42.059 -0.025 0.000 1.236 40 L HN 0.484 nan 8.230 nan 0.000 0.419 41 D N 2.412 122.784 120.400 -0.046 0.000 2.304 41 D HA 0.245 4.885 4.640 -0.000 0.000 0.250 41 D C -0.291 175.961 176.300 -0.080 0.000 1.107 41 D CA -0.065 53.895 54.000 -0.067 0.000 0.885 41 D CB 1.174 41.944 40.800 -0.050 0.000 1.192 41 D HN 0.206 nan 8.370 nan 0.000 0.436 42 K N -0.026 120.282 120.400 -0.154 0.000 2.106 42 K HA 0.313 4.633 4.320 -0.000 0.000 0.246 42 K C 0.971 177.480 176.600 -0.152 0.000 0.987 42 K CA -0.458 55.707 56.287 -0.204 0.000 0.904 42 K CB 1.162 33.318 32.500 -0.573 0.000 1.071 42 K HN 0.292 nan 8.250 nan 0.000 0.453 43 S N -0.202 115.498 115.700 0.000 0.000 2.548 43 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 43 S C 1.197 175.867 174.600 0.117 0.000 0.976 43 S CA 0.145 58.387 58.200 0.069 0.000 0.908 43 S CB -0.383 62.891 63.200 0.123 0.000 0.781 43 S HN 0.613 nan 8.310 nan 0.000 0.519 44 F N 0.342 120.290 119.950 -0.003 0.000 2.549 44 F HA 0.746 5.273 4.527 -0.000 0.000 0.275 44 F C 1.170 176.968 175.800 -0.002 0.000 0.990 44 F CA -0.180 57.818 58.000 -0.003 0.000 1.274 44 F CB -0.582 38.417 39.000 -0.002 0.000 1.064 44 F HN 0.214 nan 8.300 nan 0.000 0.715 45 G N 0.444 108.842 108.800 -0.671 0.000 3.286 45 G HA2 0.603 4.563 3.960 -0.000 0.000 0.166 45 G HA3 0.603 4.563 3.960 -0.000 0.000 0.166 45 G C -0.888 173.822 174.900 -0.317 0.000 1.155 45 G CA -0.439 44.444 45.100 -0.362 0.000 0.871 45 G HN 0.487 nan 8.290 nan 0.000 0.637 46 A N 0.571 123.249 122.820 -0.237 0.000 2.425 46 A HA 0.637 4.957 4.320 -0.000 0.000 0.249 46 A C -2.076 175.390 177.584 -0.197 0.000 1.084 46 A CA -0.619 51.320 52.037 -0.163 0.000 0.781 46 A CB -0.293 18.648 19.000 -0.098 0.000 1.019 46 A HN 0.357 nan 8.150 nan 0.000 0.490 47 P HA 0.288 nan 4.420 nan 0.000 0.272 47 P C -0.299 176.946 177.300 -0.092 0.000 1.230 47 P CA -0.091 62.936 63.100 -0.121 0.000 0.788 47 P CB 0.448 32.098 31.700 -0.082 0.000 0.949 48 T N 1.942 116.450 114.554 -0.076 0.000 2.771 48 T HA 0.443 4.793 4.350 -0.000 0.000 0.291 48 T C 0.306 174.984 174.700 -0.037 0.000 0.954 48 T CA -0.135 61.935 62.100 -0.050 0.000 1.045 48 T CB -0.158 68.687 68.868 -0.038 0.000 0.917 48 T HN 0.170 nan 8.240 nan 0.000 0.484 49 I N 2.910 123.462 120.570 -0.030 0.000 2.339 49 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 49 I C 0.497 176.603 176.117 -0.019 0.000 0.994 49 I CA -0.377 60.909 61.300 -0.024 0.000 1.191 49 I CB 1.662 39.649 38.000 -0.022 0.000 1.343 49 I HN 0.490 nan 8.210 nan 0.000 0.458 50 T N 4.463 119.006 114.554 -0.017 0.000 2.900 50 T HA 0.386 4.736 4.350 -0.000 0.000 0.303 50 T C -0.024 174.668 174.700 -0.014 0.000 1.142 50 T CA -0.624 61.467 62.100 -0.015 0.000 1.007 50 T CB 1.558 70.417 68.868 -0.015 0.000 1.156 50 T HN 0.632 nan 8.240 nan 0.000 0.490 51 K N 1.467 121.859 120.400 -0.013 0.000 2.414 51 K HA 0.199 4.519 4.320 -0.000 0.000 0.204 51 K C -0.422 176.170 176.600 -0.013 0.000 1.026 51 K CA -0.352 55.928 56.287 -0.012 0.000 1.108 51 K CB 0.504 32.997 32.500 -0.012 0.000 0.855 51 K HN 0.378 nan 8.250 nan 0.000 0.517 52 D N 0.603 120.994 120.400 -0.014 0.000 2.380 52 D HA 0.078 4.718 4.640 -0.000 0.000 0.230 52 D C 1.067 177.358 176.300 -0.015 0.000 1.154 52 D CA -0.045 53.946 54.000 -0.016 0.000 0.859 52 D CB 1.385 42.175 40.800 -0.018 0.000 1.045 52 D HN 0.282 nan 8.370 nan 0.000 0.495 53 G N 2.658 111.450 108.800 -0.014 0.000 2.462 53 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 53 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 53 G C 1.591 176.482 174.900 -0.015 0.000 1.121 53 G CA 0.496 45.589 45.100 -0.012 0.000 0.758 53 G HN 0.480 nan 8.290 nan 0.000 0.559 54 V N 0.998 120.901 119.914 -0.019 0.000 2.307 54 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 54 V C 3.080 179.161 176.094 -0.021 0.000 1.045 54 V CA 2.198 64.485 62.300 -0.022 0.000 1.024 54 V CB -0.483 31.324 31.823 -0.027 0.000 0.651 54 V HN 0.376 nan 8.190 nan 0.000 0.449 55 S N -0.077 115.612 115.700 -0.019 0.000 2.382 55 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 55 S C 1.994 176.585 174.600 -0.015 0.000 1.027 55 S CA 1.428 59.618 58.200 -0.016 0.000 0.991 55 S CB -0.193 62.998 63.200 -0.015 0.000 0.823 55 S HN 0.386 nan 8.310 nan 0.000 0.469 56 V N 2.094 121.999 119.914 -0.014 0.000 2.307 56 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 56 V C 2.719 178.805 176.094 -0.013 0.000 1.045 56 V CA 1.649 63.941 62.300 -0.013 0.000 1.024 56 V CB -1.300 30.516 31.823 -0.012 0.000 0.651 56 V HN 0.536 nan 8.190 nan 0.000 0.449 57 A N 0.014 122.825 122.820 -0.014 0.000 1.908 57 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 57 A C 2.409 179.982 177.584 -0.017 0.000 1.181 57 A CA 2.267 54.295 52.037 -0.015 0.000 0.627 57 A CB -0.663 18.327 19.000 -0.018 0.000 0.818 57 A HN 0.477 nan 8.150 nan 0.000 0.445 58 R N -0.512 119.976 120.500 -0.020 0.000 2.105 58 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 58 R C 1.602 177.891 176.300 -0.018 0.000 1.135 58 R CA 1.659 57.746 56.100 -0.023 0.000 0.967 58 R CB -0.142 30.144 30.300 -0.023 0.000 0.861 58 R HN 0.498 nan 8.270 nan 0.000 0.442 59 E N 0.233 120.425 120.200 -0.014 0.000 2.358 59 E HA -0.040 4.310 4.350 -0.000 0.000 0.195 59 E C 0.316 176.911 176.600 -0.009 0.000 1.010 59 E CA 0.238 56.632 56.400 -0.010 0.000 0.856 59 E CB 0.158 29.852 29.700 -0.009 0.000 0.795 59 E HN 0.265 nan 8.360 nan 0.000 0.504 60 I N 2.286 122.850 120.570 -0.010 0.000 2.505 60 I HA 0.097 4.267 4.170 -0.000 0.000 0.287 60 I C 0.397 176.508 176.117 -0.008 0.000 1.104 60 I CA 0.396 61.691 61.300 -0.008 0.000 1.387 60 I CB -0.103 37.892 38.000 -0.007 0.000 1.404 60 I HN -0.040 nan 8.210 nan 0.000 0.528 61 E N 7.032 127.228 120.200 -0.007 0.000 2.335 61 E HA 0.545 4.895 4.350 -0.000 0.000 0.280 61 E C -1.773 174.824 176.600 -0.005 0.000 0.918 61 E CA -0.610 55.785 56.400 -0.008 0.000 0.765 61 E CB 2.216 31.910 29.700 -0.009 0.000 1.218 61 E HN 0.429 nan 8.360 nan 0.000 0.425 62 L N 3.099 124.319 121.223 -0.005 0.000 2.330 62 L HA 0.408 4.748 4.340 -0.000 0.000 0.271 62 L C 1.401 178.268 176.870 -0.004 0.000 1.013 62 L CA -0.578 54.261 54.840 -0.001 0.000 0.816 62 L CB 1.712 43.775 42.059 0.007 0.000 1.287 62 L HN 0.733 nan 8.230 nan 0.000 0.435 63 E N 0.570 120.771 120.200 0.002 0.000 2.046 63 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 63 E C 0.419 177.020 176.600 0.002 0.000 0.982 63 E CA 0.554 56.954 56.400 0.000 0.000 0.800 63 E CB 0.272 29.975 29.700 0.005 0.000 0.756 63 E HN 0.641 nan 8.360 nan 0.000 0.449 64 D N 0.749 121.161 120.400 0.020 0.000 2.412 64 D HA -0.058 4.582 4.640 -0.000 0.000 0.257 64 D C 0.438 176.748 176.300 0.017 0.000 1.217 64 D CA 0.286 54.313 54.000 0.045 0.000 0.897 64 D CB 0.878 41.727 40.800 0.082 0.000 1.132 64 D HN 0.100 nan 8.370 nan 0.000 0.493 65 K N 2.942 123.311 120.400 -0.053 0.000 2.211 65 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 65 K C 1.642 178.099 176.600 -0.239 0.000 1.050 65 K CA 0.964 57.138 56.287 -0.187 0.000 0.945 65 K CB 0.113 32.431 32.500 -0.303 0.000 0.732 65 K HN 0.428 nan 8.250 nan 0.000 0.451 66 F N 1.547 121.486 119.950 -0.018 0.000 2.187 66 F HA -0.047 4.480 4.527 -0.000 0.000 0.295 66 F C 2.166 177.957 175.800 -0.016 0.000 1.091 66 F CA 0.977 58.964 58.000 -0.022 0.000 1.308 66 F CB -0.250 38.735 39.000 -0.025 0.000 1.030 66 F HN 0.008 nan 8.300 nan 0.000 0.487 67 E N 0.115 120.416 120.200 0.170 0.000 2.077 67 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 67 E C 1.828 178.456 176.600 0.047 0.000 0.989 67 E CA 1.381 57.834 56.400 0.089 0.000 0.800 67 E CB -0.371 29.370 29.700 0.068 0.000 0.746 67 E HN 0.301 nan 8.360 nan 0.000 0.452 68 N N 0.728 119.441 118.700 0.022 0.000 2.104 68 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 68 N C 1.768 177.273 175.510 -0.008 0.000 1.024 68 N CA 1.342 54.389 53.050 -0.004 0.000 0.853 68 N CB -0.041 38.430 38.487 -0.027 0.000 1.008 68 N HN 0.061 nan 8.380 nan 0.000 0.424 69 M N -0.472 119.120 119.600 -0.013 0.000 2.082 69 M HA -0.107 4.373 4.480 -0.000 0.000 0.258 69 M C 2.157 178.465 176.300 0.014 0.000 1.069 69 M CA 1.875 57.170 55.300 -0.008 0.000 1.102 69 M CB -0.754 31.842 32.600 -0.007 0.000 1.336 69 M HN 0.355 nan 8.290 nan 0.000 0.404 70 G N -0.159 108.660 108.800 0.032 0.000 2.514 70 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 70 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 70 G C 1.584 176.494 174.900 0.018 0.000 1.198 70 G CA 1.304 46.422 45.100 0.030 0.000 0.780 70 G HN 0.575 nan 8.290 nan 0.000 0.565 71 A N -0.241 122.587 122.820 0.013 0.000 1.883 71 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 71 A C 2.425 180.009 177.584 -0.000 0.000 1.186 71 A CA 2.201 54.241 52.037 0.006 0.000 0.624 71 A CB -0.431 18.571 19.000 0.003 0.000 0.822 71 A HN 0.345 nan 8.150 nan 0.000 0.444 72 Q N -0.808 118.990 119.800 -0.004 0.000 2.167 72 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 72 Q C 2.120 178.116 176.000 -0.006 0.000 0.970 72 Q CA 1.379 57.177 55.803 -0.010 0.000 0.855 72 Q CB -0.520 28.209 28.738 -0.015 0.000 0.911 72 Q HN 0.778 nan 8.270 nan 0.000 0.438 73 M N -0.285 119.315 119.600 0.001 0.000 2.067 73 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 73 M C 2.248 178.554 176.300 0.009 0.000 1.069 73 M CA 1.520 56.825 55.300 0.007 0.000 1.117 73 M CB -0.292 32.317 32.600 0.015 0.000 1.334 73 M HN 0.175 nan 8.290 nan 0.000 0.407 74 V N -0.489 119.431 119.914 0.010 0.000 2.591 74 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 74 V C 1.959 178.050 176.094 -0.004 0.000 1.053 74 V CA 1.650 63.956 62.300 0.011 0.000 1.068 74 V CB -0.462 31.371 31.823 0.016 0.000 0.689 74 V HN 0.406 nan 8.190 nan 0.000 0.462 75 K N -0.241 120.153 120.400 -0.010 0.000 2.044 75 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 75 K C 2.358 178.937 176.600 -0.036 0.000 1.049 75 K CA 2.157 58.431 56.287 -0.021 0.000 0.927 75 K CB -0.234 32.255 32.500 -0.020 0.000 0.713 75 K HN 0.530 nan 8.250 nan 0.000 0.443 76 E N 0.295 120.477 120.200 -0.031 0.000 2.051 76 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 76 E C 2.074 178.631 176.600 -0.072 0.000 0.991 76 E CA 1.236 57.611 56.400 -0.041 0.000 0.799 76 E CB 0.021 29.708 29.700 -0.022 0.000 0.748 76 E HN 0.077 nan 8.360 nan 0.000 0.449 77 V N 1.145 121.029 119.914 -0.049 0.000 2.379 77 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 77 V C 2.452 178.446 176.094 -0.167 0.000 1.044 77 V CA 1.562 63.824 62.300 -0.064 0.000 1.036 77 V CB -0.761 31.098 31.823 0.060 0.000 0.664 77 V HN 0.245 nan 8.190 nan 0.000 0.453 78 A N 0.896 123.666 122.820 -0.083 0.000 1.908 78 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 78 A C 2.569 180.068 177.584 -0.142 0.000 1.181 78 A CA 2.380 54.368 52.037 -0.082 0.000 0.627 78 A CB -0.828 18.153 19.000 -0.031 0.000 0.818 78 A HN 0.683 nan 8.150 nan 0.000 0.445 79 S N -0.221 115.397 115.700 -0.136 0.000 2.419 79 S HA -0.170 4.300 4.470 -0.000 0.000 0.233 79 S C 1.789 176.275 174.600 -0.190 0.000 1.016 79 S CA 1.511 59.636 58.200 -0.125 0.000 0.974 79 S CB -0.376 62.773 63.200 -0.085 0.000 0.786 79 S HN 0.606 nan 8.310 nan 0.000 0.492 80 K N 1.269 121.465 120.400 -0.341 0.000 2.147 80 K HA 0.098 4.418 4.320 -0.000 0.000 0.205 80 K C 2.513 178.804 176.600 -0.515 0.000 1.049 80 K CA 1.020 57.004 56.287 -0.505 0.000 0.936 80 K CB -0.512 31.472 32.500 -0.860 0.000 0.722 80 K HN 0.523 nan 8.250 nan 0.000 0.446 81 A N 1.751 124.283 122.820 -0.481 0.000 1.865 81 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 81 A C 1.906 179.467 177.584 -0.038 0.000 1.191 81 A CA 2.016 53.986 52.037 -0.112 0.000 0.623 81 A CB -0.731 18.274 19.000 0.008 0.000 0.826 81 A HN 0.286 nan 8.150 nan 0.000 0.444 82 N N -0.018 118.644 118.700 -0.062 0.000 2.166 82 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 82 N C 1.201 176.706 175.510 -0.009 0.000 1.019 82 N CA 1.567 54.601 53.050 -0.027 0.000 0.856 82 N CB -0.166 38.297 38.487 -0.040 0.000 0.993 82 N HN 0.443 nan 8.380 nan 0.000 0.426 83 D N -0.217 120.160 120.400 -0.038 0.000 2.117 83 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 83 D C 1.729 178.043 176.300 0.023 0.000 0.987 83 D CA 1.178 55.170 54.000 -0.013 0.000 0.829 83 D CB -0.372 40.396 40.800 -0.052 0.000 0.961 83 D HN 0.359 nan 8.370 nan 0.000 0.460 84 A N 0.457 123.293 122.820 0.026 0.000 1.929 84 A HA 0.191 4.511 4.320 -0.000 0.000 0.216 84 A C 2.068 179.695 177.584 0.072 0.000 1.176 84 A CA 1.902 53.980 52.037 0.068 0.000 0.628 84 A CB -0.062 19.022 19.000 0.140 0.000 0.816 84 A HN 0.248 nan 8.150 nan 0.000 0.444 85 A N -3.302 119.564 122.820 0.076 0.000 2.390 85 A HA 0.473 4.793 4.320 -0.000 0.000 0.225 85 A C 1.662 179.306 177.584 0.099 0.000 1.232 85 A CA 1.017 53.100 52.037 0.078 0.000 0.964 85 A CB -0.074 18.969 19.000 0.071 0.000 1.064 85 A HN 1.836 nan 8.150 nan 0.000 0.525 86 G N -0.868 107.998 108.800 0.110 0.000 2.176 86 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.253 86 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.253 86 G C -0.159 174.752 174.900 0.019 0.000 0.979 86 G CA 0.611 45.769 45.100 0.096 0.000 0.641 86 G HN 0.907 nan 8.290 nan 0.000 0.530 87 D N -2.758 117.657 120.400 0.025 0.000 2.710 87 D HA 0.588 5.228 4.640 -0.000 0.000 0.276 87 D C 0.801 177.111 176.300 0.018 0.000 1.267 87 D CA 1.379 55.386 54.000 0.011 0.000 0.772 87 D CB 0.464 41.272 40.800 0.015 0.000 1.299 87 D HN 1.392 nan 8.370 nan 0.000 0.421 88 G N -0.148 108.659 108.800 0.012 0.000 2.184 88 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.206 88 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.206 88 G C 1.083 175.992 174.900 0.014 0.000 0.995 88 G CA 0.716 45.829 45.100 0.021 0.000 0.651 88 G HN 0.546 nan 8.290 nan 0.000 0.511 89 T N 1.152 115.704 114.554 -0.004 0.000 2.708 89 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 89 T C 2.597 177.294 174.700 -0.004 0.000 1.037 89 T CA 2.481 64.573 62.100 -0.014 0.000 1.146 89 T CB -0.429 68.421 68.868 -0.029 0.000 0.865 89 T HN 0.449 nan 8.240 nan 0.000 0.435 90 T N 1.752 116.304 114.554 -0.003 0.000 2.720 90 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 90 T C 2.258 176.963 174.700 0.008 0.000 1.037 90 T CA 1.731 63.832 62.100 0.001 0.000 1.144 90 T CB -0.749 68.118 68.868 -0.001 0.000 0.864 90 T HN 0.415 nan 8.240 nan 0.000 0.444 91 T N 2.147 116.709 114.554 0.013 0.000 2.708 91 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 91 T C 2.438 177.154 174.700 0.027 0.000 1.037 91 T CA 1.218 63.329 62.100 0.020 0.000 1.146 91 T CB -0.663 68.219 68.868 0.024 0.000 0.865 91 T HN 0.442 nan 8.240 nan 0.000 0.435 92 A N 1.384 124.225 122.820 0.034 0.000 1.940 92 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 92 A C 2.547 180.152 177.584 0.036 0.000 1.176 92 A CA 2.197 54.263 52.037 0.048 0.000 0.631 92 A CB -1.291 17.745 19.000 0.061 0.000 0.814 92 A HN 0.505 nan 8.150 nan 0.000 0.446 93 T N -0.396 114.171 114.554 0.022 0.000 2.737 93 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 93 T C 2.000 176.710 174.700 0.017 0.000 1.038 93 T CA 1.877 63.987 62.100 0.016 0.000 1.144 93 T CB -0.711 68.161 68.868 0.007 0.000 0.866 93 T HN 0.696 nan 8.240 nan 0.000 0.434 94 V N 0.445 120.369 119.914 0.016 0.000 2.667 94 V HA 0.030 4.150 4.120 -0.000 0.000 0.252 94 V C 2.162 178.266 176.094 0.017 0.000 1.065 94 V CA 1.261 63.569 62.300 0.014 0.000 1.083 94 V CB -0.957 30.873 31.823 0.012 0.000 0.692 94 V HN 0.439 nan 8.190 nan 0.000 0.468 95 L N 0.682 121.919 121.223 0.022 0.000 2.027 95 L HA -0.013 4.327 4.340 -0.000 0.000 0.206 95 L C 3.084 179.968 176.870 0.024 0.000 1.074 95 L CA 1.770 56.624 54.840 0.024 0.000 0.745 95 L CB -0.934 41.143 42.059 0.030 0.000 0.898 95 L HN 0.432 nan 8.230 nan 0.000 0.433 96 A N -0.516 122.321 122.820 0.029 0.000 1.883 96 A HA -0.324 3.996 4.320 -0.000 0.000 0.217 96 A C 2.253 179.851 177.584 0.022 0.000 1.186 96 A CA 2.115 54.169 52.037 0.029 0.000 0.624 96 A CB -0.719 18.301 19.000 0.032 0.000 0.822 96 A HN 0.522 nan 8.150 nan 0.000 0.444 97 Q N -0.648 119.163 119.800 0.018 0.000 2.096 97 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 97 Q C 2.183 178.191 176.000 0.014 0.000 0.982 97 Q CA 1.817 57.629 55.803 0.015 0.000 0.850 97 Q CB -0.346 28.399 28.738 0.012 0.000 0.901 97 Q HN 0.618 nan 8.270 nan 0.000 0.422 98 A N 0.558 123.386 122.820 0.014 0.000 1.898 98 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 98 A C 1.963 179.554 177.584 0.012 0.000 1.181 98 A CA 1.212 53.256 52.037 0.012 0.000 0.620 98 A CB -0.532 18.475 19.000 0.012 0.000 0.819 98 A HN 0.475 nan 8.150 nan 0.000 0.442 99 I N -0.525 120.054 120.570 0.015 0.000 2.202 99 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 99 I C 2.286 178.411 176.117 0.014 0.000 1.091 99 I CA 1.196 62.504 61.300 0.014 0.000 1.368 99 I CB -0.366 37.644 38.000 0.017 0.000 1.058 99 I HN 0.270 nan 8.210 nan 0.000 0.410 100 I N 0.508 121.087 120.570 0.015 0.000 2.179 100 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 100 I C 2.602 178.726 176.117 0.012 0.000 1.088 100 I CA 1.606 62.915 61.300 0.015 0.000 1.357 100 I CB -0.624 37.386 38.000 0.017 0.000 1.051 100 I HN 0.220 nan 8.210 nan 0.000 0.409 101 T N 0.243 114.803 114.554 0.011 0.000 2.665 101 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 101 T C 1.816 176.521 174.700 0.008 0.000 1.035 101 T CA 1.430 63.535 62.100 0.009 0.000 1.151 101 T CB -0.213 68.660 68.868 0.008 0.000 0.862 101 T HN 0.293 nan 8.240 nan 0.000 0.438 102 E N 0.604 120.809 120.200 0.009 0.000 2.107 102 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 102 E C 2.610 179.215 176.600 0.008 0.000 0.982 102 E CA 0.973 57.378 56.400 0.008 0.000 0.809 102 E CB -0.914 28.791 29.700 0.007 0.000 0.756 102 E HN 0.561 nan 8.360 nan 0.000 0.459 103 G N 1.576 110.382 108.800 0.009 0.000 2.446 103 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 103 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 103 G C 1.724 176.630 174.900 0.009 0.000 1.168 103 G CA 0.693 45.799 45.100 0.010 0.000 0.771 103 G HN 0.185 nan 8.290 nan 0.000 0.551 104 L N -0.136 121.093 121.223 0.010 0.000 2.093 104 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 104 L C 2.929 179.803 176.870 0.007 0.000 1.085 104 L CA 0.906 55.751 54.840 0.009 0.000 0.755 104 L CB -0.371 41.694 42.059 0.009 0.000 0.904 104 L HN 0.145 nan 8.230 nan 0.000 0.435 105 K N 0.461 120.865 120.400 0.006 0.000 2.074 105 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 105 K C 2.205 178.808 176.600 0.005 0.000 1.048 105 K CA 1.650 57.940 56.287 0.005 0.000 0.926 105 K CB -0.213 32.290 32.500 0.005 0.000 0.713 105 K HN 0.315 nan 8.250 nan 0.000 0.444 106 A N 0.824 123.647 122.820 0.006 0.000 1.930 106 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 106 A C 2.358 179.945 177.584 0.006 0.000 1.175 106 A CA 1.137 53.178 52.037 0.006 0.000 0.627 106 A CB -0.440 18.564 19.000 0.006 0.000 0.815 106 A HN 0.069 nan 8.150 nan 0.000 0.443 107 V N -0.063 119.855 119.914 0.007 0.000 2.295 107 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 107 V C 3.031 179.129 176.094 0.007 0.000 1.049 107 V CA 1.884 64.189 62.300 0.008 0.000 1.024 107 V CB -1.168 30.662 31.823 0.010 0.000 0.648 107 V HN 0.589 nan 8.190 nan 0.000 0.447 108 A N -0.135 122.688 122.820 0.006 0.000 2.070 108 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 108 A C 2.275 179.862 177.584 0.003 0.000 1.159 108 A CA 1.790 53.830 52.037 0.004 0.000 0.656 108 A CB -0.549 18.453 19.000 0.004 0.000 0.800 108 A HN 0.587 nan 8.150 nan 0.000 0.453 109 A N -1.997 120.826 122.820 0.004 0.000 2.167 109 A HA 0.390 4.710 4.320 -0.000 0.000 0.214 109 A C 1.793 179.379 177.584 0.003 0.000 1.151 109 A CA 1.384 53.423 52.037 0.003 0.000 0.735 109 A CB -0.631 18.371 19.000 0.003 0.000 0.802 109 A HN 1.819 nan 8.150 nan 0.000 0.467 110 G N -2.085 106.718 108.800 0.004 0.000 2.168 110 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.197 110 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.197 110 G C 0.099 175.001 174.900 0.004 0.000 0.997 110 G CA 0.052 45.154 45.100 0.003 0.000 0.658 110 G HN 0.331 nan 8.290 nan 0.000 0.513 111 M N 0.989 120.592 119.600 0.005 0.000 2.250 111 M HA 0.257 4.737 4.480 -0.000 0.000 0.344 111 M C 0.664 176.968 176.300 0.006 0.000 1.150 111 M CA -0.522 54.781 55.300 0.005 0.000 1.147 111 M CB 0.596 33.199 32.600 0.005 0.000 1.498 111 M HN 0.165 nan 8.290 nan 0.000 0.461 112 N N 3.278 121.981 118.700 0.006 0.000 2.452 112 N HA 0.063 4.803 4.740 -0.000 0.000 0.266 112 N C -2.050 173.465 175.510 0.009 0.000 1.209 112 N CA -1.083 51.971 53.050 0.008 0.000 0.929 112 N CB 1.105 39.596 38.487 0.007 0.000 1.063 112 N HN 0.313 nan 8.380 nan 0.000 0.472 113 P HA -0.103 nan 4.420 nan 0.000 0.218 113 P C 1.596 178.902 177.300 0.011 0.000 1.148 113 P CA 1.163 64.270 63.100 0.012 0.000 0.822 113 P CB 0.240 31.949 31.700 0.015 0.000 0.784 114 M N -0.854 118.753 119.600 0.011 0.000 2.175 114 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 114 M C 1.424 177.729 176.300 0.008 0.000 1.063 114 M CA 1.585 56.891 55.300 0.010 0.000 1.119 114 M CB -1.598 31.008 32.600 0.010 0.000 1.377 114 M HN -0.041 nan 8.290 nan 0.000 0.415 115 D N 0.457 120.861 120.400 0.007 0.000 2.149 115 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 115 D C 2.298 178.601 176.300 0.006 0.000 0.972 115 D CA 0.843 54.846 54.000 0.006 0.000 0.835 115 D CB -0.090 40.713 40.800 0.005 0.000 0.966 115 D HN 0.300 nan 8.370 nan 0.000 0.476 116 L N 0.651 121.878 121.223 0.007 0.000 2.046 116 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 116 L C 2.505 179.379 176.870 0.007 0.000 1.077 116 L CA 1.142 55.986 54.840 0.007 0.000 0.747 116 L CB -0.274 41.790 42.059 0.008 0.000 0.896 116 L HN -0.037 nan 8.230 nan 0.000 0.432 117 K N 0.180 120.585 120.400 0.007 0.000 2.026 117 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 117 K C 2.351 178.953 176.600 0.004 0.000 1.048 117 K CA 1.402 57.693 56.287 0.007 0.000 0.929 117 K CB -0.014 32.491 32.500 0.008 0.000 0.713 117 K HN 0.079 nan 8.250 nan 0.000 0.439 118 R N -0.394 120.108 120.500 0.004 0.000 2.096 118 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 118 R C 2.265 178.566 176.300 0.002 0.000 1.127 118 R CA 1.556 57.658 56.100 0.002 0.000 0.968 118 R CB -0.399 29.903 30.300 0.002 0.000 0.861 118 R HN 0.389 nan 8.270 nan 0.000 0.440 119 G N 0.634 109.436 108.800 0.003 0.000 2.421 119 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 119 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 119 G C 1.394 176.295 174.900 0.002 0.000 1.171 119 G CA 0.782 45.884 45.100 0.003 0.000 0.775 119 G HN 0.229 nan 8.290 nan 0.000 0.543 120 I N 1.113 121.685 120.570 0.003 0.000 2.163 120 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 120 I C 2.352 178.468 176.117 -0.000 0.000 1.085 120 I CA 1.342 62.643 61.300 0.003 0.000 1.347 120 I CB -0.186 37.817 38.000 0.005 0.000 1.044 120 I HN 0.041 nan 8.210 nan 0.000 0.408 121 D N 0.748 121.146 120.400 -0.002 0.000 2.123 121 D HA -0.228 4.412 4.640 -0.000 0.000 0.196 121 D C 2.082 178.378 176.300 -0.007 0.000 0.992 121 D CA 1.270 55.266 54.000 -0.007 0.000 0.833 121 D CB -0.255 40.541 40.800 -0.007 0.000 0.954 121 D HN 0.291 nan 8.370 nan 0.000 0.455 122 K N 0.547 120.944 120.400 -0.004 0.000 2.057 122 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 122 K C 2.012 178.610 176.600 -0.002 0.000 1.049 122 K CA 1.211 57.496 56.287 -0.003 0.000 0.931 122 K CB -0.026 32.473 32.500 -0.001 0.000 0.714 122 K HN 0.025 nan 8.250 nan 0.000 0.440 123 A N 0.477 123.296 122.820 -0.001 0.000 1.933 123 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 123 A C 2.185 179.768 177.584 -0.001 0.000 1.175 123 A CA 1.498 53.535 52.037 0.001 0.000 0.628 123 A CB -0.470 18.532 19.000 0.003 0.000 0.814 123 A HN 0.177 nan 8.150 nan 0.000 0.444 124 V N -0.287 119.625 119.914 -0.004 0.000 2.323 124 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 124 V C 2.746 178.833 176.094 -0.012 0.000 1.041 124 V CA 2.367 64.662 62.300 -0.008 0.000 1.025 124 V CB -1.235 30.580 31.823 -0.014 0.000 0.656 124 V HN 0.617 nan 8.190 nan 0.000 0.451 125 T N 0.839 115.386 114.554 -0.013 0.000 2.665 125 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 125 T C 2.045 176.740 174.700 -0.008 0.000 1.035 125 T CA 1.824 63.916 62.100 -0.013 0.000 1.151 125 T CB -0.518 68.343 68.868 -0.012 0.000 0.862 125 T HN 0.564 nan 8.240 nan 0.000 0.438 126 A N 1.372 124.190 122.820 -0.004 0.000 1.933 126 A HA 0.212 4.532 4.320 -0.000 0.000 0.218 126 A C 2.663 180.248 177.584 0.001 0.000 1.175 126 A CA 1.769 53.806 52.037 -0.000 0.000 0.628 126 A CB -1.079 17.922 19.000 0.001 0.000 0.814 126 A HN 0.527 nan 8.150 nan 0.000 0.444 127 A N -0.551 122.269 122.820 0.001 0.000 1.898 127 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 127 A C 2.205 179.791 177.584 0.003 0.000 1.181 127 A CA 1.697 53.736 52.037 0.004 0.000 0.620 127 A CB -0.945 18.057 19.000 0.004 0.000 0.819 127 A HN 0.381 nan 8.150 nan 0.000 0.442 128 V N -0.029 119.884 119.914 -0.003 0.000 2.392 128 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 128 V C 2.595 178.688 176.094 -0.001 0.000 1.059 128 V CA 2.434 64.731 62.300 -0.005 0.000 1.051 128 V CB -0.707 31.108 31.823 -0.014 0.000 0.658 128 V HN 0.607 nan 8.190 nan 0.000 0.455 129 E N 0.136 120.335 120.200 -0.001 0.000 2.077 129 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 129 E C 2.147 178.750 176.600 0.005 0.000 0.989 129 E CA 1.216 57.617 56.400 0.002 0.000 0.800 129 E CB -0.203 29.497 29.700 0.001 0.000 0.746 129 E HN 0.559 nan 8.360 nan 0.000 0.452 130 E N -0.699 119.505 120.200 0.007 0.000 2.208 130 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 130 E C 1.584 178.192 176.600 0.013 0.000 0.988 130 E CA 0.286 56.692 56.400 0.010 0.000 0.828 130 E CB -0.135 29.572 29.700 0.012 0.000 0.763 130 E HN 0.147 nan 8.360 nan 0.000 0.478 131 L N 0.663 121.893 121.223 0.011 0.000 2.156 131 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 131 L C 1.649 178.527 176.870 0.013 0.000 1.095 131 L CA 1.671 56.519 54.840 0.013 0.000 0.770 131 L CB -0.232 41.834 42.059 0.012 0.000 0.914 131 L HN 0.018 nan 8.230 nan 0.000 0.439 132 K N -1.119 119.287 120.400 0.010 0.000 2.155 132 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 132 K C 2.015 178.622 176.600 0.011 0.000 1.052 132 K CA 1.075 57.367 56.287 0.009 0.000 0.948 132 K CB -0.188 32.316 32.500 0.007 0.000 0.728 132 K HN 0.317 nan 8.250 nan 0.000 0.448 133 A N 1.423 124.250 122.820 0.011 0.000 1.968 133 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 133 A C 1.999 179.593 177.584 0.016 0.000 1.169 133 A CA 0.866 52.911 52.037 0.013 0.000 0.638 133 A CB -0.361 18.646 19.000 0.012 0.000 0.812 133 A HN 0.199 nan 8.150 nan 0.000 0.446 134 L N -0.521 120.713 121.223 0.018 0.000 2.240 134 L HA 0.024 4.364 4.340 -0.000 0.000 0.211 134 L C 1.211 178.094 176.870 0.022 0.000 1.106 134 L CA 0.419 55.273 54.840 0.023 0.000 0.793 134 L CB -0.229 41.845 42.059 0.025 0.000 0.927 134 L HN 0.383 nan 8.230 nan 0.000 0.446 135 S N -0.297 115.414 115.700 0.018 0.000 2.549 135 S HA 0.104 4.574 4.470 -0.000 0.000 0.286 135 S C -0.205 174.404 174.600 0.016 0.000 1.314 135 S CA -0.388 57.821 58.200 0.016 0.000 1.062 135 S CB 0.676 63.885 63.200 0.014 0.000 0.865 135 S HN 0.043 nan 8.310 nan 0.000 0.498 136 V N 8.464 128.388 119.914 0.016 0.000 2.370 136 V HA 0.395 4.515 4.120 -0.000 0.000 0.283 136 V C -2.084 174.017 176.094 0.012 0.000 1.023 136 V CA -1.844 60.464 62.300 0.014 0.000 0.857 136 V CB 1.323 33.155 31.823 0.016 0.000 0.985 136 V HN 0.750 nan 8.190 nan 0.000 0.443 137 P HA 0.222 nan 4.420 nan 0.000 0.272 137 P C -0.647 176.657 177.300 0.008 0.000 1.230 137 P CA -0.415 62.690 63.100 0.008 0.000 0.788 137 P CB 0.495 32.200 31.700 0.007 0.000 0.949 138 C N 2.092 121.396 119.300 0.006 0.000 2.566 138 C HA 0.235 4.695 4.460 -0.000 0.000 0.300 138 C C 1.751 176.743 174.990 0.003 0.000 1.147 138 C CA 0.166 59.187 59.018 0.005 0.000 1.644 138 C CB -1.290 26.453 27.740 0.005 0.000 1.691 138 C HN 0.573 nan 8.230 nan 0.000 0.440 139 S N 1.796 117.498 115.700 0.003 0.000 2.311 139 S HA -0.051 4.419 4.470 -0.000 0.000 0.209 139 S C 0.695 175.296 174.600 0.001 0.000 1.029 139 S CA 0.879 59.080 58.200 0.002 0.000 0.968 139 S CB -0.246 62.956 63.200 0.003 0.000 0.946 139 S HN 0.902 nan 8.310 nan 0.000 0.450 140 D N 1.178 121.579 120.400 0.002 0.000 2.384 140 D HA 0.217 4.857 4.640 -0.000 0.000 0.244 140 D C 0.955 177.256 176.300 0.001 0.000 1.251 140 D CA 0.165 54.166 54.000 0.001 0.000 0.961 140 D CB 0.267 41.068 40.800 0.001 0.000 1.116 140 D HN 0.248 nan 8.370 nan 0.000 0.484 141 S N -1.399 114.301 115.700 0.000 0.000 2.562 141 S HA -0.112 4.358 4.470 -0.000 0.000 0.221 141 S C 1.487 176.087 174.600 0.001 0.000 0.975 141 S CA 0.246 58.446 58.200 -0.000 0.000 0.918 141 S CB -0.357 62.843 63.200 -0.001 0.000 0.772 141 S HN 0.518 nan 8.310 nan 0.000 0.531 142 K N 1.477 121.878 120.400 0.001 0.000 2.031 142 K HA 0.066 4.386 4.320 -0.000 0.000 0.205 142 K C 2.301 178.902 176.600 0.002 0.000 1.049 142 K CA 1.122 57.410 56.287 0.002 0.000 0.939 142 K CB -0.592 31.909 32.500 0.002 0.000 0.717 142 K HN 0.440 nan 8.250 nan 0.000 0.438 143 A N 1.467 124.289 122.820 0.003 0.000 1.898 143 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 143 A C 2.084 179.670 177.584 0.003 0.000 1.181 143 A CA 1.255 53.294 52.037 0.004 0.000 0.620 143 A CB -0.537 18.466 19.000 0.004 0.000 0.819 143 A HN 0.329 nan 8.150 nan 0.000 0.442 144 I N -0.128 120.443 120.570 0.002 0.000 2.163 144 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 144 I C 2.980 179.099 176.117 0.003 0.000 1.085 144 I CA 1.189 62.490 61.300 0.002 0.000 1.347 144 I CB -0.327 37.673 38.000 0.000 0.000 1.044 144 I HN 0.371 nan 8.210 nan 0.000 0.408 145 A N 0.871 123.692 122.820 0.002 0.000 1.877 145 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 145 A C 2.301 179.886 177.584 0.002 0.000 1.186 145 A CA 1.925 53.963 52.037 0.002 0.000 0.620 145 A CB -0.769 18.232 19.000 0.001 0.000 0.822 145 A HN 0.659 nan 8.150 nan 0.000 0.443 146 Q N -0.676 119.126 119.800 0.002 0.000 2.311 146 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 146 Q C 1.680 177.682 176.000 0.002 0.000 0.954 146 Q CA 1.510 57.315 55.803 0.002 0.000 0.885 146 Q CB -0.442 28.297 28.738 0.002 0.000 0.963 146 Q HN 0.354 nan 8.270 nan 0.000 0.471 147 V N 1.639 121.555 119.914 0.004 0.000 2.453 147 V HA -0.104 4.016 4.120 -0.000 0.000 0.247 147 V C 2.419 178.517 176.094 0.007 0.000 1.048 147 V CA 1.835 64.138 62.300 0.006 0.000 1.049 147 V CB -0.845 30.982 31.823 0.007 0.000 0.672 147 V HN 0.600 nan 8.190 nan 0.000 0.457 148 G N -0.175 108.629 108.800 0.007 0.000 2.418 148 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 148 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 148 G C 1.688 176.592 174.900 0.006 0.000 1.158 148 G CA 1.541 46.646 45.100 0.009 0.000 0.771 148 G HN 0.460 nan 8.290 nan 0.000 0.545 149 T N 1.418 115.974 114.554 0.003 0.000 2.684 149 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 149 T C 2.374 177.073 174.700 -0.001 0.000 1.036 149 T CA 1.159 63.260 62.100 0.001 0.000 1.148 149 T CB -0.182 68.686 68.868 -0.001 0.000 0.863 149 T HN 0.239 nan 8.240 nan 0.000 0.436 150 I N 1.262 121.831 120.570 -0.001 0.000 2.226 150 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 150 I C 2.470 178.585 176.117 -0.003 0.000 1.100 150 I CA 1.045 62.342 61.300 -0.004 0.000 1.374 150 I CB -0.269 37.729 38.000 -0.004 0.000 1.057 150 I HN 0.171 nan 8.210 nan 0.000 0.413 151 S N 0.490 116.190 115.700 0.001 0.000 2.507 151 S HA 0.046 4.516 4.470 -0.000 0.000 0.235 151 S C 1.425 176.025 174.600 0.001 0.000 0.988 151 S CA 0.885 59.087 58.200 0.003 0.000 0.944 151 S CB -0.096 63.111 63.200 0.012 0.000 0.762 151 S HN 0.496 nan 8.310 nan 0.000 0.526 152 A N 1.264 124.084 122.820 -0.000 0.000 2.701 152 A HA 0.477 4.797 4.320 -0.000 0.000 0.297 152 A C 0.221 177.802 177.584 -0.005 0.000 1.197 152 A CA -0.748 51.288 52.037 -0.002 0.000 0.963 152 A CB -0.653 18.348 19.000 0.001 0.000 1.175 152 A HN 0.431 nan 8.150 nan 0.000 0.531 153 N N 0.244 118.939 118.700 -0.008 0.000 2.727 153 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 153 N C 0.325 175.830 175.510 -0.010 0.000 1.040 153 N CA 0.493 53.537 53.050 -0.010 0.000 0.712 153 N CB -1.479 37.002 38.487 -0.011 0.000 0.912 153 N HN 0.460 nan 8.380 nan 0.000 0.545 154 S N -2.222 113.473 115.700 -0.009 0.000 3.476 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.309 154 S C -0.093 174.503 174.600 -0.006 0.000 1.222 154 S CA 1.052 59.248 58.200 -0.008 0.000 0.922 154 S CB -0.676 62.518 63.200 -0.010 0.000 1.023 154 S HN 0.725 nan 8.310 nan 0.000 0.591 155 D N 1.442 121.840 120.400 -0.004 0.000 2.365 155 D HA 0.257 4.897 4.640 -0.000 0.000 0.237 155 D C 1.074 177.373 176.300 -0.002 0.000 1.190 155 D CA -0.199 53.800 54.000 -0.003 0.000 0.867 155 D CB 0.510 41.309 40.800 -0.003 0.000 1.050 155 D HN 0.454 nan 8.370 nan 0.000 0.491 156 E N 1.326 121.525 120.200 -0.002 0.000 2.268 156 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 156 E C 1.360 177.960 176.600 -0.000 0.000 0.995 156 E CA 0.822 57.221 56.400 -0.001 0.000 0.836 156 E CB 0.305 30.004 29.700 -0.001 0.000 0.763 156 E HN 0.500 nan 8.360 nan 0.000 0.491 157 T N 0.823 115.376 114.554 -0.000 0.000 2.708 157 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 157 T C 2.155 176.856 174.700 0.001 0.000 1.037 157 T CA 1.103 63.203 62.100 0.000 0.000 1.146 157 T CB -0.225 68.643 68.868 -0.000 0.000 0.865 157 T HN 0.002 nan 8.240 nan 0.000 0.435 158 V N 1.601 121.516 119.914 0.002 0.000 2.407 158 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 158 V C 2.886 178.983 176.094 0.004 0.000 1.055 158 V CA 1.855 64.157 62.300 0.004 0.000 1.049 158 V CB -1.519 30.307 31.823 0.004 0.000 0.662 158 V HN 0.599 nan 8.190 nan 0.000 0.455 159 G N 1.328 110.130 108.800 0.003 0.000 2.491 159 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 159 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 159 G C 1.509 176.410 174.900 0.002 0.000 1.180 159 G CA 1.309 46.411 45.100 0.003 0.000 0.774 159 G HN 0.676 nan 8.290 nan 0.000 0.562 160 K N 0.063 120.463 120.400 0.001 0.000 2.365 160 K HA 0.323 4.643 4.320 -0.000 0.000 0.197 160 K C 2.245 178.845 176.600 0.001 0.000 1.042 160 K CA 0.250 56.537 56.287 0.001 0.000 0.987 160 K CB -0.196 32.304 32.500 0.000 0.000 0.779 160 K HN 0.334 nan 8.250 nan 0.000 0.484 161 L N 1.109 122.333 121.223 0.001 0.000 1.994 161 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 161 L C 2.405 179.276 176.870 0.002 0.000 1.071 161 L CA 1.339 56.180 54.840 0.002 0.000 0.745 161 L CB -0.235 41.826 42.059 0.003 0.000 0.892 161 L HN 0.209 nan 8.230 nan 0.000 0.431 162 I N -0.579 119.993 120.570 0.003 0.000 2.226 162 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 162 I C 2.751 178.868 176.117 -0.000 0.000 1.100 162 I CA 1.129 62.430 61.300 0.003 0.000 1.374 162 I CB -0.479 37.524 38.000 0.006 0.000 1.057 162 I HN 0.221 nan 8.210 nan 0.000 0.413 163 A N 0.475 123.295 122.820 0.000 0.000 1.908 163 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 163 A C 2.215 179.798 177.584 -0.002 0.000 1.181 163 A CA 1.959 53.996 52.037 -0.001 0.000 0.627 163 A CB -0.622 18.377 19.000 -0.000 0.000 0.818 163 A HN 0.460 nan 8.150 nan 0.000 0.445 164 E N -0.543 119.656 120.200 -0.002 0.000 2.107 164 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 164 E C 2.303 178.901 176.600 -0.003 0.000 0.982 164 E CA 0.753 57.151 56.400 -0.002 0.000 0.809 164 E CB -0.241 29.458 29.700 -0.002 0.000 0.756 164 E HN 0.628 nan 8.360 nan 0.000 0.459 165 A N 1.109 123.927 122.820 -0.003 0.000 1.877 165 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 165 A C 2.155 179.735 177.584 -0.007 0.000 1.186 165 A CA 1.269 53.303 52.037 -0.005 0.000 0.620 165 A CB -0.389 18.608 19.000 -0.005 0.000 0.822 165 A HN 0.139 nan 8.150 nan 0.000 0.443 166 M N -0.983 118.613 119.600 -0.007 0.000 2.229 166 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 166 M C 1.763 178.059 176.300 -0.007 0.000 1.063 166 M CA 1.835 57.130 55.300 -0.008 0.000 1.114 166 M CB -0.602 31.993 32.600 -0.008 0.000 1.387 166 M HN 0.489 nan 8.290 nan 0.000 0.420 167 D N 0.609 121.006 120.400 -0.005 0.000 2.178 167 D HA -0.129 4.511 4.640 -0.000 0.000 0.202 167 D C 2.057 178.354 176.300 -0.005 0.000 0.974 167 D CA 1.100 55.097 54.000 -0.005 0.000 0.841 167 D CB 0.262 41.060 40.800 -0.004 0.000 0.953 167 D HN 0.031 nan 8.370 nan 0.000 0.478 168 K N -0.289 120.107 120.400 -0.006 0.000 2.076 168 K HA -0.013 4.307 4.320 -0.000 0.000 0.204 168 K C 1.780 178.376 176.600 -0.007 0.000 1.051 168 K CA 1.118 57.401 56.287 -0.006 0.000 0.949 168 K CB 0.134 32.630 32.500 -0.006 0.000 0.726 168 K HN 0.279 nan 8.250 nan 0.000 0.443 169 V N -3.336 116.574 119.914 -0.008 0.000 3.528 169 V HA 0.405 4.525 4.120 -0.000 0.000 0.294 169 V C 0.513 176.601 176.094 -0.010 0.000 1.404 169 V CA 0.116 62.410 62.300 -0.009 0.000 1.065 169 V CB -0.105 31.711 31.823 -0.011 0.000 0.904 169 V HN 0.322 nan 8.190 nan 0.000 0.435 170 G N 1.158 109.952 108.800 -0.009 0.000 2.746 170 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.685 170 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.685 170 G C 0.009 174.902 174.900 -0.011 0.000 1.350 170 G CA 0.030 45.124 45.100 -0.009 0.000 0.837 170 G HN 0.284 nan 8.290 nan 0.000 0.564 171 K N -0.077 120.316 120.400 -0.011 0.000 2.365 171 K HA 0.016 4.336 4.320 -0.000 0.000 0.199 171 K C 1.663 178.254 176.600 -0.016 0.000 1.045 171 K CA 1.530 57.809 56.287 -0.012 0.000 0.962 171 K CB 0.141 32.636 32.500 -0.009 0.000 0.759 171 K HN 0.597 nan 8.250 nan 0.000 0.469 172 E N 0.098 120.289 120.200 -0.016 0.000 2.548 172 E HA 0.077 4.427 4.350 -0.000 0.000 0.206 172 E C 0.501 177.089 176.600 -0.020 0.000 1.005 172 E CA -0.491 55.898 56.400 -0.018 0.000 0.951 172 E CB 1.000 30.691 29.700 -0.014 0.000 1.035 172 E HN 0.211 nan 8.360 nan 0.000 0.470 173 G N 0.657 109.445 108.800 -0.019 0.000 2.684 173 G HA2 0.196 4.156 3.960 -0.000 0.000 0.255 173 G HA3 0.196 4.156 3.960 -0.000 0.000 0.255 173 G C -0.016 174.869 174.900 -0.025 0.000 1.219 173 G CA -0.456 44.633 45.100 -0.018 0.000 0.901 173 G HN 0.006 nan 8.290 nan 0.000 0.548 174 V N 0.948 120.848 119.914 -0.023 0.000 2.364 174 V HA 0.308 4.428 4.120 -0.000 0.000 0.272 174 V C 0.127 176.205 176.094 -0.027 0.000 1.036 174 V CA -0.144 62.138 62.300 -0.030 0.000 0.880 174 V CB 0.723 32.530 31.823 -0.026 0.000 0.991 174 V HN 0.436 nan 8.190 nan 0.000 0.460 175 I N 4.311 124.860 120.570 -0.034 0.000 2.362 175 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 175 I C 0.222 176.326 176.117 -0.022 0.000 0.994 175 I CA 0.036 61.321 61.300 -0.025 0.000 1.158 175 I CB 1.945 39.932 38.000 -0.023 0.000 1.315 175 I HN 0.529 nan 8.210 nan 0.000 0.451 176 T N 5.502 120.048 114.554 -0.013 0.000 2.912 176 T HA 0.651 5.001 4.350 -0.000 0.000 0.288 176 T C -1.235 173.466 174.700 0.003 0.000 1.030 176 T CA -0.502 61.595 62.100 -0.005 0.000 1.020 176 T CB 1.941 70.803 68.868 -0.010 0.000 1.056 176 T HN 0.335 nan 8.240 nan 0.000 0.480 177 V N 4.382 124.302 119.914 0.011 0.000 2.638 177 V HA 0.831 4.951 4.120 -0.000 0.000 0.306 177 V C -1.072 175.028 176.094 0.009 0.000 1.052 177 V CA -0.486 61.821 62.300 0.012 0.000 0.885 177 V CB 1.591 33.426 31.823 0.020 0.000 0.999 177 V HN 1.065 nan 8.190 nan 0.000 0.424 178 E N 3.287 123.489 120.200 0.005 0.000 2.456 178 E HA 0.512 4.862 4.350 -0.000 0.000 0.276 178 E C -1.506 175.096 176.600 0.002 0.000 0.981 178 E CA -1.078 55.324 56.400 0.003 0.000 0.814 178 E CB 1.426 31.125 29.700 -0.001 0.000 1.382 178 E HN 0.501 nan 8.360 nan 0.000 0.459 179 D N 0.595 120.996 120.400 0.001 0.000 2.525 179 D HA 0.212 4.852 4.640 -0.000 0.000 0.235 179 D C 0.268 176.568 176.300 -0.000 0.000 1.137 179 D CA 0.866 54.866 54.000 0.001 0.000 0.868 179 D CB 0.766 41.566 40.800 0.000 0.000 1.180 179 D HN 0.566 nan 8.370 nan 0.000 0.465 180 G N -0.014 108.786 108.800 -0.000 0.000 2.588 180 G HA2 0.378 4.338 3.960 -0.000 0.000 0.281 180 G HA3 0.378 4.338 3.960 -0.000 0.000 0.281 180 G C 0.740 175.639 174.900 -0.001 0.000 1.236 180 G CA -0.151 44.948 45.100 -0.001 0.000 0.969 180 G HN 0.499 nan 8.290 nan 0.000 0.504 181 T N -3.709 110.844 114.554 -0.002 0.000 3.040 181 T HA 0.550 4.900 4.350 -0.000 0.000 0.266 181 T C 0.844 175.543 174.700 -0.002 0.000 1.005 181 T CA 0.672 62.771 62.100 -0.002 0.000 0.906 181 T CB 0.500 69.367 68.868 -0.003 0.000 1.082 181 T HN 1.277 nan 8.240 nan 0.000 0.531 182 G N 0.511 109.310 108.800 -0.001 0.000 2.588 182 G HA2 0.436 4.396 3.960 -0.000 0.000 0.281 182 G HA3 0.436 4.396 3.960 -0.000 0.000 0.281 182 G C -0.235 174.664 174.900 -0.001 0.000 1.223 182 G CA -0.093 45.007 45.100 -0.001 0.000 0.871 182 G HN 0.061 nan 8.290 nan 0.000 0.492 183 L N -0.030 121.192 121.223 -0.001 0.000 2.179 183 L HA 0.304 4.644 4.340 -0.000 0.000 0.208 183 L C 0.792 177.661 176.870 -0.001 0.000 1.096 183 L CA 1.417 56.257 54.840 -0.001 0.000 0.779 183 L CB -0.493 41.565 42.059 -0.001 0.000 0.922 183 L HN 0.543 nan 8.230 nan 0.000 0.443 184 Q N 0.895 120.694 119.800 -0.001 0.000 2.230 184 Q HA 0.166 4.506 4.340 -0.000 0.000 0.253 184 Q C -0.751 175.249 176.000 -0.001 0.000 0.919 184 Q CA -0.810 54.992 55.803 -0.001 0.000 0.908 184 Q CB 1.473 30.210 28.738 -0.001 0.000 1.245 184 Q HN 0.206 nan 8.270 nan 0.000 0.437 185 D N 2.085 122.485 120.400 -0.001 0.000 2.382 185 D HA 0.091 4.731 4.640 -0.000 0.000 0.240 185 D C -0.431 175.869 176.300 -0.001 0.000 1.146 185 D CA 0.494 54.494 54.000 -0.001 0.000 0.897 185 D CB 0.846 41.646 40.800 -0.000 0.000 1.197 185 D HN 0.396 nan 8.370 nan 0.000 0.432 186 E N -0.183 120.016 120.200 -0.001 0.000 2.317 186 E HA 0.542 4.892 4.350 -0.000 0.000 0.270 186 E C -1.159 175.440 176.600 -0.002 0.000 0.885 186 E CA -0.916 55.483 56.400 -0.002 0.000 0.760 186 E CB 2.516 32.215 29.700 -0.003 0.000 1.227 186 E HN 0.073 nan 8.360 nan 0.000 0.434 187 L N 2.421 123.642 121.223 -0.003 0.000 2.441 187 L HA 0.479 4.819 4.340 -0.000 0.000 0.270 187 L C -1.900 174.967 176.870 -0.004 0.000 0.973 187 L CA -0.162 54.676 54.840 -0.003 0.000 0.842 187 L CB 1.470 43.527 42.059 -0.003 0.000 1.239 187 L HN 0.429 nan 8.230 nan 0.000 0.406 188 D N 4.185 124.582 120.400 -0.005 0.000 2.879 188 D HA 0.426 5.066 4.640 -0.000 0.000 0.236 188 D C -1.014 175.282 176.300 -0.006 0.000 1.171 188 D CA -0.266 53.730 54.000 -0.006 0.000 0.868 188 D CB 3.072 43.869 40.800 -0.006 0.000 1.598 188 D HN 0.250 nan 8.370 nan 0.000 0.497 189 V N 1.980 121.890 119.914 -0.006 0.000 2.383 189 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 189 V C 0.498 176.588 176.094 -0.007 0.000 1.036 189 V CA -0.526 61.770 62.300 -0.007 0.000 0.889 189 V CB 1.166 32.985 31.823 -0.006 0.000 0.985 189 V HN 0.410 nan 8.190 nan 0.000 0.459 190 V N 1.741 121.651 119.914 -0.007 0.000 3.001 190 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 190 V C -0.213 175.878 176.094 -0.006 0.000 1.099 190 V CA -1.126 61.170 62.300 -0.007 0.000 0.989 190 V CB 2.108 33.925 31.823 -0.009 0.000 1.040 190 V HN 0.679 nan 8.190 nan 0.000 0.434 191 E N 1.832 122.029 120.200 -0.005 0.000 2.406 191 E HA 0.501 4.851 4.350 -0.000 0.000 0.258 191 E C 0.295 176.895 176.600 0.000 0.000 1.043 191 E CA 0.904 57.302 56.400 -0.003 0.000 0.929 191 E CB 0.668 30.366 29.700 -0.004 0.000 0.969 191 E HN 1.180 nan 8.360 nan 0.000 0.462 192 G N 1.590 110.393 108.800 0.005 0.000 2.600 192 G HA2 0.624 4.584 3.960 -0.000 0.000 0.293 192 G HA3 0.624 4.584 3.960 -0.000 0.000 0.293 192 G C -1.173 173.741 174.900 0.024 0.000 1.408 192 G CA -0.680 44.427 45.100 0.012 0.000 0.782 192 G HN 0.377 nan 8.290 nan 0.000 0.482 193 M N -0.154 119.469 119.600 0.038 0.000 2.603 193 M HA 0.531 5.011 4.480 -0.000 0.000 0.275 193 M C -1.981 174.356 176.300 0.061 0.000 1.226 193 M CA -0.669 54.672 55.300 0.069 0.000 0.870 193 M CB 2.837 35.509 32.600 0.120 0.000 1.716 193 M HN 0.715 nan 8.290 nan 0.000 0.482 194 Q N 2.958 122.800 119.800 0.070 0.000 2.289 194 Q HA 0.663 5.003 4.340 -0.000 0.000 0.270 194 Q C -2.201 173.848 176.000 0.081 0.000 1.038 194 Q CA -0.637 55.155 55.803 -0.020 0.000 0.812 194 Q CB 2.105 30.806 28.738 -0.061 0.000 1.300 194 Q HN 0.580 nan 8.270 nan 0.000 0.427 195 F N -0.182 119.759 119.950 -0.015 0.000 2.620 195 F HA 0.551 5.078 4.527 -0.000 0.000 0.320 195 F C -0.443 175.350 175.800 -0.012 0.000 1.069 195 F CA -1.189 56.803 58.000 -0.012 0.000 0.953 195 F CB 1.211 40.206 39.000 -0.008 0.000 1.322 195 F HN 0.313 nan 8.300 nan 0.000 0.479 196 D N 2.596 123.111 120.400 0.192 0.000 2.845 196 D HA 0.193 4.833 4.640 -0.000 0.000 0.235 196 D C -0.412 175.949 176.300 0.102 0.000 1.158 196 D CA 0.250 54.298 54.000 0.080 0.000 0.990 196 D CB -0.074 40.770 40.800 0.072 0.000 1.094 196 D HN 0.304 nan 8.370 nan 0.000 0.486 197 R N 0.112 120.651 120.500 0.065 0.000 2.515 197 R HA 0.470 4.810 4.340 -0.000 0.000 0.291 197 R C 0.376 176.636 176.300 -0.067 0.000 1.046 197 R CA -0.702 55.439 56.100 0.067 0.000 0.914 197 R CB 1.940 32.387 30.300 0.244 0.000 1.191 197 R HN 0.148 nan 8.270 nan 0.000 0.435 198 G N 1.295 110.026 108.800 -0.116 0.000 2.532 198 G HA2 0.353 4.313 3.960 -0.000 0.000 0.291 198 G HA3 0.353 4.313 3.960 -0.000 0.000 0.291 198 G C -0.463 174.355 174.900 -0.137 0.000 1.349 198 G CA -0.467 44.479 45.100 -0.257 0.000 1.038 198 G HN 0.454 nan 8.290 nan 0.000 0.518 199 Y N -1.469 118.872 120.300 0.070 0.000 2.511 199 Y HA 0.309 4.859 4.550 0.000 0.000 0.347 199 Y C 1.226 177.235 175.900 0.182 0.000 1.257 199 Y CA -0.843 57.347 58.100 0.150 0.000 1.469 199 Y CB 0.307 38.904 38.460 0.228 0.000 1.353 199 Y HN 0.156 nan 8.280 nan 0.000 0.617 200 L N 0.981 122.511 121.223 0.512 0.000 2.529 200 L HA 0.147 4.487 4.340 -0.000 0.000 0.223 200 L C 0.698 177.766 176.870 0.331 0.000 1.113 200 L CA 0.662 55.728 54.840 0.377 0.000 0.861 200 L CB 0.089 42.343 42.059 0.325 0.000 1.012 200 L HN 0.735 nan 8.230 nan 0.000 0.461 201 S N -0.981 114.933 115.700 0.357 0.000 2.619 201 S HA 0.408 4.878 4.470 -0.000 0.000 0.280 201 S C -2.298 172.140 174.600 -0.271 0.000 1.150 201 S CA -1.145 57.030 58.200 -0.043 0.000 0.978 201 S CB 1.657 64.560 63.200 -0.495 0.000 1.041 201 S HN -0.222 nan 8.310 nan 0.000 0.485 202 P HA 0.094 nan 4.420 nan 0.000 0.244 202 P C -0.199 176.684 177.300 -0.695 0.000 1.211 202 P CA 0.577 63.244 63.100 -0.722 0.000 0.760 202 P CB -0.191 31.244 31.700 -0.441 0.000 0.961 203 Y N -3.390 116.670 120.300 -0.400 0.000 2.458 203 Y HA 0.197 4.747 4.550 -0.000 0.000 0.254 203 Y C 1.653 177.414 175.900 -0.231 0.000 1.120 203 Y CA -0.030 57.889 58.100 -0.302 0.000 1.282 203 Y CB -0.506 37.779 38.460 -0.292 0.000 1.109 203 Y HN -0.154 nan 8.280 nan 0.000 0.526 204 F N 0.599 120.503 119.950 -0.076 0.000 2.408 204 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 204 F C 0.975 176.738 175.800 -0.061 0.000 1.090 204 F CA 0.013 57.985 58.000 -0.047 0.000 1.427 204 F CB -0.964 38.024 39.000 -0.021 0.000 1.070 204 F HN -0.146 nan 8.300 nan 0.000 0.549 205 I N 1.658 122.241 120.570 0.023 0.000 2.752 205 I HA -0.138 4.032 4.170 -0.000 0.000 0.287 205 I C 0.917 177.058 176.117 0.041 0.000 1.188 205 I CA 0.465 61.768 61.300 0.005 0.000 1.427 205 I CB 0.361 38.309 38.000 -0.086 0.000 1.365 205 I HN 0.139 nan 8.210 nan 0.000 0.585 206 N N 3.156 121.883 118.700 0.045 0.000 2.113 206 N HA 0.051 4.791 4.740 -0.000 0.000 0.223 206 N C -0.141 175.386 175.510 0.027 0.000 1.310 206 N CA -0.135 52.938 53.050 0.038 0.000 0.896 206 N CB 0.448 38.961 38.487 0.044 0.000 1.097 206 N HN 0.285 nan 8.380 nan 0.000 0.507 207 K N 1.589 122.005 120.400 0.027 0.000 2.423 207 K HA 0.339 4.659 4.320 -0.000 0.000 0.234 207 K C -2.018 174.591 176.600 0.015 0.000 1.051 207 K CA -1.712 54.588 56.287 0.021 0.000 1.021 207 K CB 2.090 34.604 32.500 0.023 0.000 1.474 207 K HN -0.010 nan 8.250 nan 0.000 0.474 208 P HA -0.123 nan 4.420 nan 0.000 0.220 208 P C 1.054 178.354 177.300 -0.001 0.000 1.148 208 P CA 0.878 63.980 63.100 0.003 0.000 0.803 208 P CB 0.577 32.282 31.700 0.008 0.000 0.782 209 E N -0.363 119.836 120.200 -0.001 0.000 2.047 209 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 209 E C 1.797 178.386 176.600 -0.019 0.000 0.987 209 E CA 2.017 58.411 56.400 -0.010 0.000 0.799 209 E CB -0.951 28.743 29.700 -0.010 0.000 0.752 209 E HN 0.246 nan 8.360 nan 0.000 0.449 210 T N -3.102 111.443 114.554 -0.015 0.000 3.023 210 T HA 0.141 4.491 4.350 -0.000 0.000 0.266 210 T C 1.517 176.222 174.700 0.008 0.000 1.093 210 T CA 0.501 62.589 62.100 -0.020 0.000 1.129 210 T CB -0.152 68.708 68.868 -0.013 0.000 0.899 210 T HN 0.326 nan 8.240 nan 0.000 0.491 211 G N 1.370 110.183 108.800 0.020 0.000 2.225 211 G HA2 0.079 4.039 3.960 -0.000 0.000 0.264 211 G HA3 0.079 4.039 3.960 -0.000 0.000 0.264 211 G C 0.044 175.012 174.900 0.114 0.000 1.060 211 G CA -0.098 45.029 45.100 0.045 0.000 0.833 211 G HN 1.159 nan 8.290 nan 0.000 0.498 212 A N -0.860 122.016 122.820 0.092 0.000 2.355 212 A HA 0.874 5.194 4.320 -0.000 0.000 0.324 212 A C 0.131 177.780 177.584 0.108 0.000 1.117 212 A CA -0.344 51.770 52.037 0.129 0.000 0.785 212 A CB 1.988 21.036 19.000 0.081 0.000 1.254 212 A HN 1.204 nan 8.150 nan 0.000 0.453 213 V N 1.492 121.494 119.914 0.147 0.000 2.498 213 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 213 V C 0.272 176.401 176.094 0.058 0.000 1.048 213 V CA -0.070 62.292 62.300 0.104 0.000 0.967 213 V CB 0.986 32.886 31.823 0.129 0.000 0.988 213 V HN 0.933 nan 8.190 nan 0.000 0.473 214 E N 4.696 124.919 120.200 0.039 0.000 2.265 214 E HA 0.585 4.934 4.350 -0.000 0.000 0.262 214 E C -1.687 174.922 176.600 0.014 0.000 0.889 214 E CA -0.560 55.853 56.400 0.021 0.000 0.789 214 E CB 1.369 31.081 29.700 0.020 0.000 1.221 214 E HN 0.655 nan 8.360 nan 0.000 0.414 215 L N 3.330 124.555 121.223 0.003 0.000 2.346 215 L HA 0.552 4.892 4.340 -0.000 0.000 0.276 215 L C -0.324 176.542 176.870 -0.007 0.000 1.006 215 L CA -0.876 53.965 54.840 0.001 0.000 0.817 215 L CB 1.987 44.044 42.059 -0.004 0.000 1.272 215 L HN 0.492 nan 8.230 nan 0.000 0.421 216 E N 1.048 121.244 120.200 -0.006 0.000 2.183 216 E HA 0.343 4.693 4.350 -0.000 0.000 0.271 216 E C -0.292 176.290 176.600 -0.031 0.000 0.919 216 E CA -0.662 55.728 56.400 -0.017 0.000 0.781 216 E CB 1.750 31.444 29.700 -0.010 0.000 1.140 216 E HN 0.606 nan 8.360 nan 0.000 0.402 217 S N 1.522 117.188 115.700 -0.057 0.000 3.549 217 S HA -0.125 4.345 4.470 -0.000 0.000 0.366 217 S C -2.240 172.267 174.600 -0.157 0.000 1.012 217 S CA 0.370 58.505 58.200 -0.108 0.000 1.141 217 S CB -1.431 61.714 63.200 -0.092 0.000 0.910 217 S HN 0.455 nan 8.310 nan 0.000 0.471 218 P HA 0.496 nan 4.420 nan 0.000 0.281 218 P C -0.069 177.145 177.300 -0.144 0.000 1.249 218 P CA -0.588 62.473 63.100 -0.065 0.000 0.810 218 P CB 0.459 32.153 31.700 -0.010 0.000 1.008 219 F N 1.252 121.201 119.950 -0.002 0.000 2.399 219 F HA 0.368 4.895 4.527 -0.000 0.000 0.342 219 F C 0.942 176.742 175.800 -0.000 0.000 1.106 219 F CA -0.037 57.963 58.000 -0.000 0.000 1.196 219 F CB 0.535 39.535 39.000 -0.001 0.000 1.163 219 F HN 0.054 nan 8.300 nan 0.000 0.547 220 I N 4.389 125.070 120.570 0.185 0.000 2.418 220 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 220 I C -1.119 175.059 176.117 0.102 0.000 1.008 220 I CA -0.848 60.519 61.300 0.111 0.000 1.104 220 I CB 1.756 39.799 38.000 0.073 0.000 1.264 220 I HN 0.313 nan 8.210 nan 0.000 0.438 221 L N 7.904 129.172 121.223 0.075 0.000 2.289 221 L HA 0.535 4.875 4.340 -0.000 0.000 0.285 221 L C -1.014 175.877 176.870 0.035 0.000 1.049 221 L CA -0.058 54.812 54.840 0.050 0.000 0.804 221 L CB 1.097 43.177 42.059 0.036 0.000 1.195 221 L HN 0.478 nan 8.230 nan 0.000 0.428 222 L N 6.362 127.600 121.223 0.024 0.000 2.356 222 L HA 0.629 4.969 4.340 -0.000 0.000 0.264 222 L C -0.133 176.739 176.870 0.004 0.000 1.029 222 L CA -0.336 54.509 54.840 0.008 0.000 0.897 222 L CB 1.173 43.232 42.059 -0.001 0.000 1.256 222 L HN 0.775 nan 8.230 nan 0.000 0.444 223 A N 1.248 124.071 122.820 0.005 0.000 2.253 223 A HA 0.297 4.617 4.320 -0.000 0.000 0.316 223 A C 0.011 177.597 177.584 0.003 0.000 1.327 223 A CA -0.448 51.593 52.037 0.007 0.000 0.917 223 A CB 0.327 19.336 19.000 0.015 0.000 1.162 223 A HN 0.676 nan 8.150 nan 0.000 0.535 224 D N 2.659 123.059 120.400 -0.000 0.000 2.934 224 D HA 0.257 4.897 4.640 -0.000 0.000 0.237 224 D C 0.267 176.571 176.300 0.007 0.000 1.158 224 D CA 0.369 54.369 54.000 -0.001 0.000 0.971 224 D CB -0.552 40.244 40.800 -0.006 0.000 1.123 224 D HN 0.654 nan 8.370 nan 0.000 0.467 225 K N -1.389 119.018 120.400 0.012 0.000 2.755 225 K HA 0.310 4.630 4.320 -0.000 0.000 0.294 225 K C -1.245 175.370 176.600 0.024 0.000 1.060 225 K CA -1.190 55.107 56.287 0.017 0.000 0.845 225 K CB 0.750 33.259 32.500 0.015 0.000 1.539 225 K HN -0.226 nan 8.250 nan 0.000 0.379 226 K N 1.204 121.620 120.400 0.026 0.000 2.183 226 K HA 0.416 4.736 4.320 -0.000 0.000 0.274 226 K C -0.681 175.937 176.600 0.030 0.000 1.009 226 K CA -0.540 55.765 56.287 0.031 0.000 0.888 226 K CB 0.953 33.472 32.500 0.031 0.000 1.078 226 K HN 0.371 nan 8.250 nan 0.000 0.459 227 I N 2.322 122.913 120.570 0.035 0.000 2.307 227 I HA 0.069 4.239 4.170 -0.000 0.000 0.289 227 I C 0.590 176.730 176.117 0.038 0.000 1.021 227 I CA 0.013 61.334 61.300 0.034 0.000 1.224 227 I CB 1.580 39.603 38.000 0.038 0.000 1.376 227 I HN 0.632 nan 8.210 nan 0.000 0.470 228 S N 3.446 119.165 115.700 0.030 0.000 2.539 228 S HA 0.202 4.672 4.470 -0.000 0.000 0.226 228 S C 0.400 175.015 174.600 0.026 0.000 1.054 228 S CA -0.058 58.160 58.200 0.029 0.000 0.910 228 S CB 0.109 63.324 63.200 0.024 0.000 0.818 228 S HN 0.614 nan 8.310 nan 0.000 0.490 229 N N 0.489 119.202 118.700 0.023 0.000 2.319 229 N HA 0.404 5.144 4.740 -0.000 0.000 0.305 229 N C 0.246 175.767 175.510 0.019 0.000 1.103 229 N CA -0.560 52.501 53.050 0.018 0.000 0.815 229 N CB 1.153 39.648 38.487 0.013 0.000 1.288 229 N HN -0.107 nan 8.380 nan 0.000 0.493 230 I N 1.292 121.872 120.570 0.017 0.000 2.676 230 I HA -0.043 4.127 4.170 -0.000 0.000 0.259 230 I C 1.876 177.999 176.117 0.010 0.000 1.194 230 I CA 0.975 62.284 61.300 0.015 0.000 1.473 230 I CB 0.001 38.010 38.000 0.014 0.000 1.096 230 I HN 0.562 nan 8.210 nan 0.000 0.443 231 R N 1.895 122.399 120.500 0.008 0.000 2.133 231 R HA -0.228 4.112 4.340 -0.000 0.000 0.247 231 R C 2.010 178.312 176.300 0.003 0.000 1.151 231 R CA 2.205 58.308 56.100 0.005 0.000 0.971 231 R CB -0.252 30.050 30.300 0.005 0.000 0.866 231 R HN 0.641 nan 8.270 nan 0.000 0.447 232 E N -1.496 118.707 120.200 0.005 0.000 2.474 232 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 232 E C 1.162 177.763 176.600 0.002 0.000 1.041 232 E CA 0.165 56.567 56.400 0.003 0.000 0.874 232 E CB 0.152 29.855 29.700 0.006 0.000 0.914 232 E HN 0.241 nan 8.360 nan 0.000 0.498 233 M N 0.658 120.261 119.600 0.004 0.000 2.435 233 M HA 0.124 4.604 4.480 -0.000 0.000 0.265 233 M C 2.157 178.454 176.300 -0.005 0.000 1.104 233 M CA 0.461 55.762 55.300 0.003 0.000 1.140 233 M CB -0.594 32.013 32.600 0.012 0.000 1.372 233 M HN 0.181 nan 8.290 nan 0.000 0.456 234 L N 1.027 122.247 121.223 -0.005 0.000 1.991 234 L HA -0.255 4.085 4.340 -0.000 0.000 0.221 234 L C -0.327 176.532 176.870 -0.019 0.000 1.079 234 L CA 2.244 57.079 54.840 -0.010 0.000 0.778 234 L CB -2.115 39.939 42.059 -0.008 0.000 0.893 234 L HN 0.172 nan 8.230 nan 0.000 0.437 235 P HA -0.121 nan 4.420 nan 0.000 0.218 235 P C 1.783 179.057 177.300 -0.044 0.000 1.149 235 P CA 1.426 64.508 63.100 -0.029 0.000 0.817 235 P CB 0.015 31.700 31.700 -0.024 0.000 0.785 236 V N 0.176 120.065 119.914 -0.043 0.000 2.323 236 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 236 V C 2.802 178.851 176.094 -0.075 0.000 1.041 236 V CA 1.399 63.661 62.300 -0.062 0.000 1.025 236 V CB -1.227 30.570 31.823 -0.043 0.000 0.656 236 V HN -0.013 nan 8.190 nan 0.000 0.451 237 L N -0.306 120.889 121.223 -0.046 0.000 2.093 237 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 237 L C 2.530 179.372 176.870 -0.047 0.000 1.085 237 L CA 1.566 56.382 54.840 -0.039 0.000 0.755 237 L CB -0.570 41.481 42.059 -0.014 0.000 0.904 237 L HN 0.366 nan 8.230 nan 0.000 0.435 238 E N 0.121 120.295 120.200 -0.045 0.000 2.152 238 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 238 E C 2.293 178.856 176.600 -0.061 0.000 0.983 238 E CA 0.952 57.327 56.400 -0.042 0.000 0.818 238 E CB -0.062 29.619 29.700 -0.032 0.000 0.758 238 E HN 0.476 nan 8.360 nan 0.000 0.467 239 A N 0.619 123.387 122.820 -0.087 0.000 1.968 239 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 239 A C 2.354 179.829 177.584 -0.183 0.000 1.169 239 A CA 0.684 52.648 52.037 -0.121 0.000 0.638 239 A CB -0.230 18.688 19.000 -0.136 0.000 0.812 239 A HN 0.104 nan 8.150 nan 0.000 0.446 240 V N -0.363 119.432 119.914 -0.198 0.000 2.453 240 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 240 V C 3.008 179.047 176.094 -0.092 0.000 1.048 240 V CA 1.641 63.803 62.300 -0.230 0.000 1.049 240 V CB -0.796 30.916 31.823 -0.185 0.000 0.672 240 V HN 0.591 nan 8.190 nan 0.000 0.457 241 A N 1.417 124.204 122.820 -0.056 0.000 1.877 241 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 241 A C 2.144 179.720 177.584 -0.014 0.000 1.186 241 A CA 2.346 54.371 52.037 -0.020 0.000 0.620 241 A CB -0.429 18.562 19.000 -0.016 0.000 0.822 241 A HN 0.689 nan 8.150 nan 0.000 0.443 242 K N 0.004 120.386 120.400 -0.029 0.000 2.296 242 K HA 0.324 4.644 4.320 -0.000 0.000 0.200 242 K C 1.639 178.236 176.600 -0.006 0.000 1.048 242 K CA 1.439 57.715 56.287 -0.017 0.000 0.966 242 K CB -0.563 31.923 32.500 -0.024 0.000 0.754 242 K HN 0.232 nan 8.250 nan 0.000 0.466 243 A N 1.148 123.957 122.820 -0.018 0.000 1.968 243 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 243 A C 1.745 179.382 177.584 0.089 0.000 1.169 243 A CA 0.889 52.948 52.037 0.037 0.000 0.638 243 A CB -0.985 18.017 19.000 0.002 0.000 0.812 243 A HN 0.739 nan 8.150 nan 0.000 0.446 244 G N -1.218 107.623 108.800 0.068 0.000 2.204 244 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 244 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 244 G C -0.116 174.846 174.900 0.104 0.000 1.062 244 G CA 0.555 45.697 45.100 0.070 0.000 0.798 244 G HN 0.636 nan 8.290 nan 0.000 0.496 245 K N -0.161 120.334 120.400 0.158 0.000 2.469 245 K HA 0.585 4.905 4.320 -0.000 0.000 0.254 245 K C -2.593 174.119 176.600 0.187 0.000 0.939 245 K CA -2.191 54.211 56.287 0.192 0.000 0.812 245 K CB 2.606 35.277 32.500 0.285 0.000 1.301 245 K HN -0.013 nan 8.250 nan 0.000 0.433 246 P HA 0.050 nan 4.420 nan 0.000 0.270 246 P C -1.372 176.005 177.300 0.128 0.000 1.223 246 P CA -0.491 62.665 63.100 0.093 0.000 0.785 246 P CB 0.460 32.190 31.700 0.051 0.000 0.923 247 L N 2.505 123.774 121.223 0.077 0.000 2.356 247 L HA 0.547 4.887 4.340 -0.000 0.000 0.277 247 L C -1.388 175.488 176.870 0.009 0.000 0.996 247 L CA -0.866 54.020 54.840 0.076 0.000 0.822 247 L CB 1.459 43.551 42.059 0.056 0.000 1.256 247 L HN 0.131 nan 8.230 nan 0.000 0.413 248 L N 6.246 127.483 121.223 0.023 0.000 2.289 248 L HA 0.612 4.952 4.340 -0.000 0.000 0.285 248 L C -0.955 175.920 176.870 0.008 0.000 1.049 248 L CA 0.098 54.931 54.840 -0.013 0.000 0.804 248 L CB 0.982 43.048 42.059 0.012 0.000 1.195 248 L HN 0.573 nan 8.230 nan 0.000 0.428 249 I N 6.624 127.182 120.570 -0.021 0.000 2.339 249 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 249 I C -0.543 175.596 176.117 0.037 0.000 0.994 249 I CA -0.295 61.011 61.300 0.010 0.000 1.191 249 I CB 1.213 39.216 38.000 0.005 0.000 1.343 249 I HN 0.506 nan 8.210 nan 0.000 0.458 250 I N 6.329 126.928 120.570 0.049 0.000 2.354 250 I HA 0.684 4.854 4.170 -0.000 0.000 0.286 250 I C 0.049 176.184 176.117 0.029 0.000 1.007 250 I CA -0.132 61.200 61.300 0.054 0.000 1.167 250 I CB 1.456 39.484 38.000 0.047 0.000 1.320 250 I HN 0.666 nan 8.210 nan 0.000 0.458 251 A N 4.552 127.394 122.820 0.037 0.000 2.593 251 A HA 0.420 4.740 4.320 -0.000 0.000 0.290 251 A C 0.656 178.261 177.584 0.035 0.000 1.126 251 A CA -0.557 51.498 52.037 0.030 0.000 0.695 251 A CB 1.482 20.505 19.000 0.038 0.000 1.290 251 A HN 0.740 nan 8.150 nan 0.000 0.414 252 E N -0.389 119.830 120.200 0.031 0.000 2.086 252 E HA -0.205 4.145 4.350 -0.000 0.000 0.200 252 E C -0.211 176.420 176.600 0.053 0.000 1.012 252 E CA 2.014 58.438 56.400 0.040 0.000 0.812 252 E CB 0.112 29.834 29.700 0.038 0.000 0.743 252 E HN 0.601 nan 8.360 nan 0.000 0.453 253 D N -2.072 118.360 120.400 0.053 0.000 2.663 253 D HA 0.201 4.841 4.640 -0.000 0.000 0.233 253 D C -1.880 174.460 176.300 0.066 0.000 1.240 253 D CA -0.531 53.508 54.000 0.064 0.000 0.774 253 D CB 2.113 42.948 40.800 0.059 0.000 1.443 253 D HN -0.124 nan 8.370 nan 0.000 0.441 254 V N 2.547 122.511 119.914 0.084 0.000 2.378 254 V HA 0.463 4.583 4.120 -0.000 0.000 0.288 254 V C -0.011 176.135 176.094 0.087 0.000 1.016 254 V CA -0.519 61.834 62.300 0.088 0.000 0.840 254 V CB 1.487 33.378 31.823 0.115 0.000 0.994 254 V HN 0.402 nan 8.190 nan 0.000 0.431 255 E N 2.448 122.688 120.200 0.066 0.000 2.244 255 E HA 0.616 4.966 4.350 -0.000 0.000 0.266 255 E C 0.903 177.530 176.600 0.046 0.000 0.914 255 E CA 0.044 56.477 56.400 0.055 0.000 0.794 255 E CB 2.285 32.010 29.700 0.043 0.000 1.210 255 E HN 0.792 nan 8.360 nan 0.000 0.414 256 G N 2.445 111.268 108.800 0.038 0.000 2.699 256 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.347 256 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.347 256 G C 1.092 176.006 174.900 0.023 0.000 1.225 256 G CA 0.924 46.039 45.100 0.026 0.000 0.973 256 G HN 0.679 nan 8.290 nan 0.000 0.551 257 E N 1.416 121.627 120.200 0.019 0.000 2.160 257 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 257 E C 2.937 179.551 176.600 0.023 0.000 0.991 257 E CA 2.071 58.481 56.400 0.016 0.000 0.810 257 E CB -0.552 29.156 29.700 0.013 0.000 0.742 257 E HN 0.708 nan 8.360 nan 0.000 0.466 258 A N 0.922 123.763 122.820 0.034 0.000 1.873 258 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 258 A C 2.192 179.816 177.584 0.066 0.000 1.186 258 A CA 1.227 53.292 52.037 0.047 0.000 0.616 258 A CB -0.613 18.417 19.000 0.050 0.000 0.823 258 A HN 0.319 nan 8.150 nan 0.000 0.442 259 L N -0.256 121.010 121.223 0.071 0.000 2.056 259 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 259 L C 2.599 179.493 176.870 0.040 0.000 1.078 259 L CA 2.084 56.979 54.840 0.091 0.000 0.749 259 L CB -0.688 41.425 42.059 0.090 0.000 0.901 259 L HN 0.318 nan 8.230 nan 0.000 0.433 260 A N -1.911 120.918 122.820 0.014 0.000 2.070 260 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 260 A C 2.188 179.762 177.584 -0.016 0.000 1.159 260 A CA 1.954 53.981 52.037 -0.017 0.000 0.656 260 A CB -0.947 18.043 19.000 -0.016 0.000 0.800 260 A HN 0.515 nan 8.150 nan 0.000 0.453 261 T N 0.333 114.893 114.554 0.011 0.000 2.732 261 T HA -0.017 4.333 4.350 -0.000 0.000 0.261 261 T C 1.815 176.534 174.700 0.032 0.000 1.040 261 T CA 1.440 63.550 62.100 0.016 0.000 1.145 261 T CB -0.334 68.549 68.868 0.025 0.000 0.866 261 T HN 0.402 nan 8.240 nan 0.000 0.427 262 L N 0.823 122.092 121.223 0.077 0.000 2.027 262 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 262 L C 2.684 179.629 176.870 0.125 0.000 1.074 262 L CA 0.776 55.704 54.840 0.147 0.000 0.745 262 L CB -0.971 41.251 42.059 0.270 0.000 0.898 262 L HN 0.096 nan 8.230 nan 0.000 0.433 263 V N -0.214 119.696 119.914 -0.008 0.000 2.252 263 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 263 V C 2.461 178.473 176.094 -0.137 0.000 1.056 263 V CA 1.979 64.157 62.300 -0.204 0.000 1.022 263 V CB -0.452 31.196 31.823 -0.292 0.000 0.641 263 V HN 0.222 nan 8.190 nan 0.000 0.445 264 V N 0.109 119.959 119.914 -0.107 0.000 2.270 264 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 264 V C 2.215 178.278 176.094 -0.052 0.000 1.043 264 V CA 2.225 64.464 62.300 -0.102 0.000 1.014 264 V CB -0.943 30.827 31.823 -0.088 0.000 0.645 264 V HN 0.578 nan 8.190 nan 0.000 0.447 265 N N -0.075 118.617 118.700 -0.014 0.000 2.061 265 N HA -0.223 4.517 4.740 -0.000 0.000 0.193 265 N C 1.970 177.495 175.510 0.026 0.000 1.030 265 N CA 2.142 55.198 53.050 0.009 0.000 0.856 265 N CB -0.231 38.272 38.487 0.027 0.000 1.023 265 N HN 0.459 nan 8.380 nan 0.000 0.424 266 T N 0.520 115.112 114.554 0.063 0.000 2.995 266 T HA 0.027 4.377 4.350 -0.000 0.000 0.269 266 T C 1.747 176.480 174.700 0.055 0.000 1.091 266 T CA 0.524 62.680 62.100 0.093 0.000 1.128 266 T CB 0.067 69.059 68.868 0.208 0.000 0.891 266 T HN 0.151 nan 8.240 nan 0.000 0.492 267 M N 0.595 120.198 119.600 0.005 0.000 2.435 267 M HA 0.144 4.624 4.480 -0.000 0.000 0.265 267 M C 0.553 176.832 176.300 -0.034 0.000 1.104 267 M CA 0.874 56.157 55.300 -0.029 0.000 1.140 267 M CB 0.316 32.850 32.600 -0.111 0.000 1.372 267 M HN 0.116 nan 8.290 nan 0.000 0.456 268 R N -0.757 119.723 120.500 -0.033 0.000 2.835 268 R HA 0.573 4.913 4.340 -0.000 0.000 0.290 268 R C 0.160 176.450 176.300 -0.016 0.000 1.410 268 R CA 0.101 56.182 56.100 -0.031 0.000 1.590 268 R CB 0.038 30.312 30.300 -0.044 0.000 1.288 268 R HN 0.231 nan 8.270 nan 0.000 0.637 269 G N 1.127 109.924 108.800 -0.004 0.000 2.472 269 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 269 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 269 G C 0.635 175.541 174.900 0.010 0.000 2.125 269 G CA -0.044 45.056 45.100 -0.000 0.000 1.637 269 G HN 0.201 nan 8.290 nan 0.000 0.548 270 I N 1.826 122.402 120.570 0.010 0.000 2.233 270 I HA 0.153 4.323 4.170 -0.000 0.000 0.243 270 I C 0.892 177.020 176.117 0.018 0.000 1.093 270 I CA 1.855 63.161 61.300 0.010 0.000 1.380 270 I CB 0.103 38.107 38.000 0.006 0.000 1.067 270 I HN 0.373 nan 8.210 nan 0.000 0.413 271 V N -1.222 118.709 119.914 0.027 0.000 2.577 271 V HA 0.377 4.497 4.120 -0.000 0.000 0.303 271 V C -0.415 175.709 176.094 0.051 0.000 1.042 271 V CA -1.166 61.155 62.300 0.034 0.000 0.872 271 V CB 1.535 33.376 31.823 0.029 0.000 0.998 271 V HN 0.036 nan 8.190 nan 0.000 0.423 272 K N 3.243 123.673 120.400 0.051 0.000 2.292 272 K HA 0.626 4.946 4.320 -0.000 0.000 0.290 272 K C -0.819 175.812 176.600 0.052 0.000 1.083 272 K CA -0.156 56.168 56.287 0.061 0.000 0.918 272 K CB 0.710 33.240 32.500 0.050 0.000 1.089 272 K HN 0.742 nan 8.250 nan 0.000 0.473 273 V N 2.106 122.061 119.914 0.068 0.000 2.960 273 V HA 0.855 4.975 4.120 -0.000 0.000 0.315 273 V C -0.703 175.250 176.094 -0.235 0.000 1.087 273 V CA -1.092 61.202 62.300 -0.011 0.000 0.982 273 V CB 1.801 33.657 31.823 0.054 0.000 1.039 273 V HN 0.831 nan 8.190 nan 0.000 0.437 274 A N 1.637 124.177 122.820 -0.466 0.000 2.517 274 A HA 0.956 5.276 4.320 -0.000 0.000 0.297 274 A C -0.777 176.396 177.584 -0.684 0.000 1.050 274 A CA -0.132 51.292 52.037 -1.022 0.000 0.694 274 A CB 1.785 20.475 19.000 -0.516 0.000 1.277 274 A HN 1.711 nan 8.150 nan 0.000 0.400 275 A N 1.131 123.480 122.820 -0.785 0.000 2.356 275 A HA 0.844 5.164 4.320 -0.000 0.000 0.310 275 A C -0.354 177.236 177.584 0.010 0.000 1.075 275 A CA -0.096 51.834 52.037 -0.178 0.000 0.746 275 A CB 1.210 20.225 19.000 0.024 0.000 1.221 275 A HN 2.310 nan 8.150 nan 0.000 0.443 276 V N -0.333 119.619 119.914 0.063 0.000 2.962 276 V HA 0.661 4.781 4.120 -0.000 0.000 0.313 276 V C -0.445 175.734 176.094 0.141 0.000 1.099 276 V CA -1.289 61.087 62.300 0.126 0.000 0.971 276 V CB 1.470 33.377 31.823 0.140 0.000 1.028 276 V HN 0.845 nan 8.190 nan 0.000 0.430 277 K N 2.097 122.584 120.400 0.145 0.000 2.319 277 K HA 0.626 4.946 4.320 -0.000 0.000 0.265 277 K C 0.464 177.139 176.600 0.126 0.000 1.000 277 K CA 0.454 56.814 56.287 0.121 0.000 0.943 277 K CB 0.918 33.485 32.500 0.111 0.000 0.950 277 K HN 1.128 nan 8.250 nan 0.000 0.485 278 A N 3.874 126.719 122.820 0.042 0.000 2.386 278 A HA 0.259 4.579 4.320 -0.000 0.000 0.248 278 A C -2.094 175.459 177.584 -0.052 0.000 1.082 278 A CA -1.180 50.814 52.037 -0.072 0.000 0.789 278 A CB -0.295 18.656 19.000 -0.081 0.000 1.025 278 A HN 0.479 nan 8.150 nan 0.000 0.490 279 P HA 0.403 nan 4.420 nan 0.000 0.274 279 P C 0.757 178.053 177.300 -0.006 0.000 1.231 279 P CA 1.330 64.401 63.100 -0.047 0.000 0.790 279 P CB 0.642 32.255 31.700 -0.146 0.000 0.951 280 G N 1.629 110.473 108.800 0.074 0.000 2.601 280 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.252 280 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.252 280 G C -0.690 174.338 174.900 0.213 0.000 1.294 280 G CA 0.266 45.431 45.100 0.109 0.000 0.912 280 G HN 0.758 nan 8.290 nan 0.000 0.574 281 F N -2.858 117.100 119.950 0.014 0.000 2.715 281 F HA 0.772 5.299 4.527 -0.000 0.000 0.318 281 F C 1.101 176.909 175.800 0.013 0.000 1.141 281 F CA 0.245 58.253 58.000 0.013 0.000 0.950 281 F CB 0.843 39.855 39.000 0.021 0.000 1.374 281 F HN 2.408 nan 8.300 nan 0.000 0.477 282 G N 1.255 110.134 108.800 0.133 0.000 2.622 282 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.307 282 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.307 282 G C 0.421 175.284 174.900 -0.062 0.000 1.226 282 G CA 0.849 45.965 45.100 0.027 0.000 0.997 282 G HN 0.865 nan 8.290 nan 0.000 0.551 283 D N 0.554 120.893 120.400 -0.102 0.000 2.097 283 D HA -0.035 4.605 4.640 -0.000 0.000 0.197 283 D C 2.650 178.889 176.300 -0.102 0.000 0.984 283 D CA 1.400 55.351 54.000 -0.081 0.000 0.826 283 D CB -0.258 40.502 40.800 -0.066 0.000 0.973 283 D HN 0.506 nan 8.370 nan 0.000 0.460 284 R N 0.509 120.915 120.500 -0.158 0.000 2.152 284 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 284 R C 2.366 178.592 176.300 -0.124 0.000 1.117 284 R CA 0.576 56.589 56.100 -0.146 0.000 0.981 284 R CB -0.067 30.122 30.300 -0.183 0.000 0.870 284 R HN 0.097 nan 8.270 nan 0.000 0.451 285 R N 1.205 121.635 120.500 -0.118 0.000 2.081 285 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 285 R C 1.550 177.805 176.300 -0.074 0.000 1.131 285 R CA 1.450 57.502 56.100 -0.080 0.000 0.960 285 R CB 0.091 30.374 30.300 -0.028 0.000 0.856 285 R HN 0.050 nan 8.270 nan 0.000 0.436 286 K N 0.227 120.591 120.400 -0.059 0.000 2.057 286 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 286 K C 2.056 178.622 176.600 -0.058 0.000 1.049 286 K CA 1.426 57.684 56.287 -0.048 0.000 0.931 286 K CB -0.486 31.993 32.500 -0.035 0.000 0.714 286 K HN 0.234 nan 8.250 nan 0.000 0.440 287 A N 1.652 124.433 122.820 -0.066 0.000 1.898 287 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 287 A C 2.318 179.856 177.584 -0.076 0.000 1.181 287 A CA 1.537 53.535 52.037 -0.065 0.000 0.620 287 A CB -0.447 18.513 19.000 -0.067 0.000 0.819 287 A HN 0.201 nan 8.150 nan 0.000 0.442 288 M N -0.767 118.775 119.600 -0.097 0.000 2.229 288 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 288 M C 2.068 178.284 176.300 -0.141 0.000 1.063 288 M CA 0.962 56.189 55.300 -0.122 0.000 1.114 288 M CB -0.417 32.093 32.600 -0.151 0.000 1.387 288 M HN 0.378 nan 8.290 nan 0.000 0.420 289 L N -0.163 120.984 121.223 -0.127 0.000 2.012 289 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 289 L C 2.629 179.453 176.870 -0.077 0.000 1.073 289 L CA 1.362 56.134 54.840 -0.113 0.000 0.748 289 L CB -0.487 41.522 42.059 -0.083 0.000 0.891 289 L HN 0.284 nan 8.230 nan 0.000 0.431 290 Q N 0.145 119.909 119.800 -0.061 0.000 2.124 290 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 290 Q C 1.635 177.610 176.000 -0.041 0.000 0.977 290 Q CA 1.850 57.627 55.803 -0.043 0.000 0.850 290 Q CB -0.095 28.620 28.738 -0.037 0.000 0.901 290 Q HN 0.414 nan 8.270 nan 0.000 0.429 291 D N -0.571 119.797 120.400 -0.053 0.000 2.117 291 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 291 D C 1.695 177.974 176.300 -0.036 0.000 0.987 291 D CA 1.255 55.229 54.000 -0.044 0.000 0.829 291 D CB -0.129 40.640 40.800 -0.052 0.000 0.961 291 D HN 0.348 nan 8.370 nan 0.000 0.460 292 I N 0.796 121.332 120.570 -0.056 0.000 2.252 292 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 292 I C 2.415 178.523 176.117 -0.014 0.000 1.102 292 I CA 0.825 62.104 61.300 -0.036 0.000 1.385 292 I CB -0.251 37.699 38.000 -0.082 0.000 1.064 292 I HN -0.065 nan 8.210 nan 0.000 0.414 293 A N 0.897 123.704 122.820 -0.023 0.000 1.873 293 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 293 A C 2.408 179.990 177.584 -0.004 0.000 1.193 293 A CA 2.766 54.797 52.037 -0.009 0.000 0.629 293 A CB -1.288 17.704 19.000 -0.013 0.000 0.826 293 A HN 0.414 nan 8.150 nan 0.000 0.447 294 T N 0.410 114.958 114.554 -0.009 0.000 2.788 294 T HA -0.107 4.242 4.350 -0.000 0.000 0.268 294 T C 1.830 176.528 174.700 -0.003 0.000 1.044 294 T CA 1.206 63.302 62.100 -0.006 0.000 1.139 294 T CB -0.316 68.546 68.868 -0.010 0.000 0.867 294 T HN 0.331 nan 8.240 nan 0.000 0.454 295 L N 2.033 123.255 121.223 -0.001 0.000 2.093 295 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 295 L C 2.335 179.208 176.870 0.005 0.000 1.085 295 L CA 2.295 57.138 54.840 0.004 0.000 0.755 295 L CB -1.184 40.882 42.059 0.013 0.000 0.904 295 L HN 0.462 nan 8.230 nan 0.000 0.435 296 T N -3.754 110.805 114.554 0.008 0.000 3.086 296 T HA 0.228 4.578 4.350 -0.000 0.000 0.250 296 T C 1.184 175.886 174.700 0.004 0.000 1.074 296 T CA 0.372 62.475 62.100 0.006 0.000 0.988 296 T CB -0.154 68.724 68.868 0.017 0.000 0.988 296 T HN 0.561 nan 8.240 nan 0.000 0.530 297 G N 0.447 109.250 108.800 0.005 0.000 2.351 297 G HA2 0.185 4.145 3.960 -0.000 0.000 0.297 297 G HA3 0.185 4.145 3.960 -0.000 0.000 0.297 297 G C 0.186 175.098 174.900 0.019 0.000 1.054 297 G CA -0.227 44.878 45.100 0.008 0.000 1.123 297 G HN 1.089 nan 8.290 nan 0.000 0.512 298 G N -1.206 107.606 108.800 0.020 0.000 2.658 298 G HA2 0.874 4.834 3.960 -0.000 0.000 0.292 298 G HA3 0.874 4.834 3.960 -0.000 0.000 0.292 298 G C -0.444 174.467 174.900 0.018 0.000 1.320 298 G CA 0.142 45.259 45.100 0.029 0.000 0.933 298 G HN 0.723 nan 8.290 nan 0.000 0.476 299 T N 0.284 114.850 114.554 0.019 0.000 2.824 299 T HA 0.452 4.802 4.350 -0.000 0.000 0.280 299 T C 0.104 174.808 174.700 0.006 0.000 0.995 299 T CA -0.374 61.732 62.100 0.010 0.000 1.009 299 T CB 1.833 70.707 68.868 0.010 0.000 0.955 299 T HN 0.353 nan 8.240 nan 0.000 0.452 300 V N 4.215 124.129 119.914 -0.001 0.000 2.439 300 V HA 0.165 4.285 4.120 -0.000 0.000 0.271 300 V C 0.149 176.242 176.094 -0.003 0.000 1.040 300 V CA -0.430 61.867 62.300 -0.005 0.000 1.002 300 V CB -0.332 31.483 31.823 -0.013 0.000 1.000 300 V HN 0.706 nan 8.190 nan 0.000 0.477 301 I N 5.857 126.427 120.570 -0.000 0.000 2.308 301 I HA 0.287 4.457 4.170 -0.000 0.000 0.293 301 I C 0.630 176.746 176.117 -0.000 0.000 1.078 301 I CA 0.785 62.085 61.300 0.001 0.000 1.292 301 I CB 0.739 38.741 38.000 0.003 0.000 1.423 301 I HN 0.728 nan 8.210 nan 0.000 0.493 302 S N 3.037 118.737 115.700 -0.001 0.000 2.536 302 S HA 0.504 4.974 4.470 -0.000 0.000 0.298 302 S C 0.446 175.046 174.600 0.001 0.000 1.083 302 S CA -0.808 57.391 58.200 -0.001 0.000 0.995 302 S CB 1.764 64.962 63.200 -0.004 0.000 1.058 302 S HN 0.587 nan 8.310 nan 0.000 0.488 303 E N 0.967 121.168 120.200 0.003 0.000 2.299 303 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 303 E C 1.283 177.884 176.600 0.003 0.000 0.998 303 E CA 0.527 56.929 56.400 0.004 0.000 0.851 303 E CB -0.024 29.680 29.700 0.006 0.000 0.795 303 E HN 0.792 nan 8.360 nan 0.000 0.492 304 E N 0.424 120.625 120.200 0.002 0.000 2.204 304 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 304 E C 1.740 178.340 176.600 -0.000 0.000 0.990 304 E CA 0.730 57.130 56.400 0.001 0.000 0.821 304 E CB 0.127 29.826 29.700 -0.000 0.000 0.750 304 E HN 0.319 nan 8.360 nan 0.000 0.477 305 I N -1.608 118.962 120.570 -0.001 0.000 2.810 305 I HA 0.081 4.251 4.170 -0.000 0.000 0.262 305 I C 1.534 177.651 176.117 0.000 0.000 1.131 305 I CA 0.756 62.055 61.300 -0.001 0.000 1.453 305 I CB 0.636 38.635 38.000 -0.002 0.000 1.161 305 I HN 0.229 nan 8.210 nan 0.000 0.444 306 G N 0.605 109.405 108.800 0.001 0.000 2.234 306 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.153 306 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.153 306 G C 0.222 175.122 174.900 0.001 0.000 1.013 306 G CA -0.595 44.506 45.100 0.001 0.000 0.712 306 G HN 0.052 nan 8.290 nan 0.000 0.491 307 M N 0.832 120.432 119.600 0.001 0.000 2.240 307 M HA 0.506 4.986 4.480 -0.000 0.000 0.333 307 M C 0.415 176.716 176.300 0.001 0.000 1.110 307 M CA 0.641 55.942 55.300 0.001 0.000 1.173 307 M CB 0.642 33.242 32.600 0.000 0.000 1.458 307 M HN 0.171 nan 8.290 nan 0.000 0.458 308 E N 1.074 121.275 120.200 0.001 0.000 2.288 308 E HA 0.278 4.628 4.350 -0.000 0.000 0.268 308 E C 0.141 176.741 176.600 -0.000 0.000 0.885 308 E CA -0.549 55.852 56.400 0.001 0.000 0.767 308 E CB 1.984 31.685 29.700 0.001 0.000 1.220 308 E HN 0.641 nan 8.360 nan 0.000 0.427 309 L N 1.545 122.768 121.223 0.001 0.000 2.191 309 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 309 L C 1.495 178.362 176.870 -0.006 0.000 1.103 309 L CA 1.293 56.132 54.840 -0.001 0.000 0.769 309 L CB -0.252 41.808 42.059 0.002 0.000 0.908 309 L HN 0.545 nan 8.230 nan 0.000 0.438 310 E N 0.127 120.324 120.200 -0.005 0.000 2.338 310 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 310 E C 1.655 178.249 176.600 -0.009 0.000 1.007 310 E CA 0.804 57.199 56.400 -0.008 0.000 0.849 310 E CB 0.015 29.711 29.700 -0.005 0.000 0.774 310 E HN 0.392 nan 8.360 nan 0.000 0.506 311 K N -0.011 120.384 120.400 -0.007 0.000 2.353 311 K HA 0.308 4.628 4.320 -0.000 0.000 0.195 311 K C 0.116 176.711 176.600 -0.008 0.000 1.031 311 K CA 0.085 56.368 56.287 -0.007 0.000 1.079 311 K CB 0.991 33.489 32.500 -0.004 0.000 0.857 311 K HN -0.022 nan 8.250 nan 0.000 0.535 312 A N 2.285 125.099 122.820 -0.009 0.000 2.347 312 A HA 0.206 4.526 4.320 -0.000 0.000 0.287 312 A C 0.551 178.125 177.584 -0.017 0.000 1.199 312 A CA -0.433 51.599 52.037 -0.009 0.000 0.851 312 A CB -0.134 18.863 19.000 -0.006 0.000 1.118 312 A HN 0.268 nan 8.150 nan 0.000 0.525 313 T N 0.628 115.174 114.554 -0.014 0.000 2.833 313 T HA 0.408 4.758 4.350 -0.000 0.000 0.292 313 T C 1.314 175.999 174.700 -0.025 0.000 1.031 313 T CA -0.502 61.584 62.100 -0.022 0.000 0.937 313 T CB 0.212 69.072 68.868 -0.013 0.000 1.256 313 T HN 0.342 nan 8.240 nan 0.000 0.551 314 L N -0.015 121.189 121.223 -0.033 0.000 2.093 314 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 314 L C 2.910 179.811 176.870 0.051 0.000 1.085 314 L CA 1.388 56.213 54.840 -0.025 0.000 0.755 314 L CB -0.658 41.374 42.059 -0.045 0.000 0.904 314 L HN 0.727 nan 8.230 nan 0.000 0.435 315 E N 0.246 120.470 120.200 0.040 0.000 2.209 315 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 315 E C 1.421 178.048 176.600 0.045 0.000 0.993 315 E CA 1.355 57.783 56.400 0.047 0.000 0.819 315 E CB -0.122 29.596 29.700 0.029 0.000 0.745 315 E HN 0.478 nan 8.360 nan 0.000 0.477 316 D N -0.550 119.870 120.400 0.034 0.000 2.317 316 D HA -0.003 4.637 4.640 -0.000 0.000 0.211 316 D C -0.233 176.095 176.300 0.047 0.000 0.966 316 D CA 0.361 54.379 54.000 0.030 0.000 0.876 316 D CB 0.122 40.931 40.800 0.015 0.000 0.927 316 D HN 0.071 nan 8.370 nan 0.000 0.519 317 L N 0.443 121.712 121.223 0.077 0.000 2.350 317 L HA 0.484 4.824 4.340 -0.000 0.000 0.275 317 L C 1.085 178.042 176.870 0.145 0.000 1.099 317 L CA -0.272 54.645 54.840 0.128 0.000 0.808 317 L CB 1.475 43.651 42.059 0.195 0.000 1.149 317 L HN -0.104 nan 8.230 nan 0.000 0.442 318 G N 1.752 110.620 108.800 0.113 0.000 2.412 318 G HA2 0.574 4.534 3.960 -0.000 0.000 0.318 318 G HA3 0.574 4.534 3.960 -0.000 0.000 0.318 318 G C -0.928 173.991 174.900 0.032 0.000 1.146 318 G CA -0.396 44.742 45.100 0.064 0.000 0.882 318 G HN 0.499 nan 8.290 nan 0.000 0.501 319 Q N -0.896 118.880 119.800 -0.041 0.000 2.351 319 Q HA 0.690 5.030 4.340 -0.000 0.000 0.273 319 Q C -0.578 175.367 176.000 -0.092 0.000 1.077 319 Q CA -0.818 54.899 55.803 -0.143 0.000 0.843 319 Q CB 2.531 31.121 28.738 -0.246 0.000 1.367 319 Q HN 0.743 nan 8.270 nan 0.000 0.449 320 A N 0.800 123.554 122.820 -0.109 0.000 2.594 320 A HA 0.347 4.667 4.320 -0.000 0.000 0.291 320 A C -0.099 177.436 177.584 -0.081 0.000 1.105 320 A CA -0.554 51.441 52.037 -0.069 0.000 0.694 320 A CB 1.572 20.551 19.000 -0.035 0.000 1.291 320 A HN 0.639 nan 8.150 nan 0.000 0.410 321 K N -0.324 120.042 120.400 -0.057 0.000 2.155 321 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 321 K C 0.347 176.921 176.600 -0.043 0.000 1.052 321 K CA 1.155 57.411 56.287 -0.052 0.000 0.948 321 K CB 0.044 32.522 32.500 -0.037 0.000 0.728 321 K HN 0.621 nan 8.250 nan 0.000 0.448 322 R N -0.438 120.040 120.500 -0.035 0.000 2.633 322 R HA 0.152 4.492 4.340 -0.000 0.000 0.255 322 R C -1.818 174.468 176.300 -0.024 0.000 1.106 322 R CA -0.484 55.600 56.100 -0.027 0.000 0.959 322 R CB 1.631 31.919 30.300 -0.020 0.000 1.259 322 R HN -0.075 nan 8.270 nan 0.000 0.453 323 V N 0.882 120.783 119.914 -0.022 0.000 2.588 323 V HA 0.785 4.905 4.120 -0.000 0.000 0.304 323 V C -0.902 175.177 176.094 -0.026 0.000 1.042 323 V CA -0.720 61.564 62.300 -0.027 0.000 0.877 323 V CB 1.888 33.697 31.823 -0.022 0.000 0.996 323 V HN 0.390 nan 8.190 nan 0.000 0.425 324 V N 6.116 126.007 119.914 -0.039 0.000 2.448 324 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 324 V C -0.250 175.815 176.094 -0.048 0.000 1.025 324 V CA -0.332 61.953 62.300 -0.025 0.000 0.859 324 V CB 1.635 33.449 31.823 -0.015 0.000 0.988 324 V HN 0.859 nan 8.190 nan 0.000 0.431 325 I N 4.499 125.065 120.570 -0.007 0.000 2.418 325 I HA 0.476 4.646 4.170 -0.000 0.000 0.287 325 I C -0.010 176.131 176.117 0.040 0.000 1.008 325 I CA -0.419 60.874 61.300 -0.012 0.000 1.104 325 I CB 1.825 39.846 38.000 0.035 0.000 1.264 325 I HN 0.502 nan 8.210 nan 0.000 0.438 326 N N 3.920 122.578 118.700 -0.070 0.000 2.514 326 N HA 0.264 5.004 4.740 -0.000 0.000 0.299 326 N C 1.010 176.241 175.510 -0.466 0.000 1.292 326 N CA -0.515 52.474 53.050 -0.102 0.000 0.963 326 N CB 0.610 39.042 38.487 -0.092 0.000 1.124 326 N HN 0.457 nan 8.380 nan 0.000 0.580 327 K N -0.111 120.016 120.400 -0.455 0.000 2.148 327 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 327 K C -0.657 175.633 176.600 -0.517 0.000 1.050 327 K CA 1.553 57.402 56.287 -0.730 0.000 0.942 327 K CB -0.035 32.326 32.500 -0.232 0.000 0.724 327 K HN 0.618 nan 8.250 nan 0.000 0.446 328 D N -1.007 119.216 120.400 -0.296 0.000 2.822 328 D HA 0.096 4.736 4.640 -0.000 0.000 0.327 328 D C -1.061 175.155 176.300 -0.139 0.000 1.577 328 D CA -0.437 53.456 54.000 -0.178 0.000 0.785 328 D CB 0.830 41.569 40.800 -0.101 0.000 1.199 328 D HN -0.160 nan 8.370 nan 0.000 0.443 329 T N -0.818 113.627 114.554 -0.181 0.000 2.982 329 T HA 0.650 5.000 4.350 -0.000 0.000 0.321 329 T C -0.845 173.693 174.700 -0.270 0.000 1.229 329 T CA -0.657 61.326 62.100 -0.195 0.000 1.044 329 T CB 2.181 70.962 68.868 -0.144 0.000 1.184 329 T HN -0.131 nan 8.240 nan 0.000 0.477 330 T N 2.493 116.766 114.554 -0.467 0.000 2.881 330 T HA 0.604 4.954 4.350 -0.000 0.000 0.291 330 T C -0.595 173.765 174.700 -0.567 0.000 0.990 330 T CA -0.542 61.222 62.100 -0.560 0.000 0.976 330 T CB 1.386 69.766 68.868 -0.813 0.000 0.970 330 T HN 0.619 nan 8.240 nan 0.000 0.438 331 T N 4.032 118.413 114.554 -0.288 0.000 2.779 331 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 331 T C -0.022 174.617 174.700 -0.103 0.000 0.987 331 T CA -0.497 61.497 62.100 -0.178 0.000 0.966 331 T CB 0.616 69.419 68.868 -0.107 0.000 0.933 331 T HN 0.429 nan 8.240 nan 0.000 0.442 332 I N 4.107 124.650 120.570 -0.046 0.000 2.339 332 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 332 I C -0.439 175.677 176.117 -0.002 0.000 0.994 332 I CA -0.683 60.618 61.300 0.001 0.000 1.191 332 I CB 1.091 39.130 38.000 0.064 0.000 1.343 332 I HN 0.469 nan 8.210 nan 0.000 0.458 333 I N 5.682 126.245 120.570 -0.011 0.000 2.378 333 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 333 I C -0.378 175.729 176.117 -0.015 0.000 0.992 333 I CA -0.492 60.800 61.300 -0.013 0.000 1.154 333 I CB 1.291 39.281 38.000 -0.017 0.000 1.315 333 I HN 0.551 nan 8.210 nan 0.000 0.448 334 D N 5.011 125.404 120.400 -0.012 0.000 3.508 334 D HA -0.125 4.515 4.640 -0.000 0.000 0.232 334 D C 0.148 176.436 176.300 -0.020 0.000 1.131 334 D CA 0.898 54.888 54.000 -0.016 0.000 1.040 334 D CB -0.130 40.658 40.800 -0.019 0.000 0.879 334 D HN 0.808 nan 8.370 nan 0.000 0.407 335 G N 0.733 109.525 108.800 -0.013 0.000 2.507 335 G HA2 0.393 4.353 3.960 -0.000 0.000 0.271 335 G HA3 0.393 4.353 3.960 -0.000 0.000 0.271 335 G C 1.376 176.264 174.900 -0.020 0.000 1.189 335 G CA -0.296 44.795 45.100 -0.015 0.000 0.859 335 G HN 0.314 nan 8.290 nan 0.000 0.542 336 V N 1.642 121.541 119.914 -0.026 0.000 3.041 336 V HA 0.061 4.181 4.120 -0.000 0.000 0.260 336 V C 2.146 178.232 176.094 -0.013 0.000 1.105 336 V CA 0.858 63.143 62.300 -0.025 0.000 1.125 336 V CB -0.926 30.876 31.823 -0.036 0.000 0.730 336 V HN 0.854 nan 8.190 nan 0.000 0.479 337 G N 1.159 109.954 108.800 -0.008 0.000 2.187 337 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.239 337 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.239 337 G C 0.049 174.946 174.900 -0.005 0.000 1.200 337 G CA -0.050 45.048 45.100 -0.004 0.000 0.888 337 G HN 0.256 nan 8.290 nan 0.000 0.482 338 E N 0.974 121.172 120.200 -0.004 0.000 2.373 338 E HA -0.009 4.341 4.350 -0.000 0.000 0.267 338 E C 1.252 177.849 176.600 -0.004 0.000 1.032 338 E CA -0.196 56.202 56.400 -0.004 0.000 0.889 338 E CB 1.253 30.952 29.700 -0.003 0.000 0.984 338 E HN 0.777 nan 8.360 nan 0.000 0.425 339 E N 2.699 122.896 120.200 -0.005 0.000 2.077 339 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 339 E C 1.506 178.103 176.600 -0.005 0.000 0.989 339 E CA 1.065 57.462 56.400 -0.005 0.000 0.800 339 E CB 0.121 29.818 29.700 -0.005 0.000 0.746 339 E HN 0.563 nan 8.360 nan 0.000 0.452 340 A N 0.687 123.505 122.820 -0.004 0.000 2.076 340 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 340 A C 2.142 179.724 177.584 -0.005 0.000 1.160 340 A CA 1.730 53.764 52.037 -0.004 0.000 0.653 340 A CB -0.327 18.671 19.000 -0.003 0.000 0.801 340 A HN 0.368 nan 8.150 nan 0.000 0.455 341 A N -0.593 122.224 122.820 -0.005 0.000 1.973 341 A HA 0.271 4.591 4.320 -0.000 0.000 0.210 341 A C 1.981 179.561 177.584 -0.006 0.000 1.200 341 A CA 0.799 52.833 52.037 -0.005 0.000 0.707 341 A CB -0.275 18.723 19.000 -0.004 0.000 0.862 341 A HN 0.402 nan 8.150 nan 0.000 0.461 342 I N -0.254 120.312 120.570 -0.006 0.000 2.233 342 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 342 I C 2.471 178.584 176.117 -0.008 0.000 1.093 342 I CA 0.953 62.249 61.300 -0.007 0.000 1.380 342 I CB -0.311 37.685 38.000 -0.006 0.000 1.067 342 I HN 0.270 nan 8.210 nan 0.000 0.413 343 Q N 0.794 120.590 119.800 -0.007 0.000 2.226 343 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 343 Q C 2.314 178.309 176.000 -0.008 0.000 0.975 343 Q CA 1.650 57.448 55.803 -0.007 0.000 0.866 343 Q CB -0.580 28.154 28.738 -0.006 0.000 0.915 343 Q HN 0.634 nan 8.270 nan 0.000 0.440 344 G N 1.029 109.824 108.800 -0.008 0.000 2.402 344 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 344 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 344 G C 1.601 176.495 174.900 -0.010 0.000 1.162 344 G CA 0.797 45.892 45.100 -0.008 0.000 0.777 344 G HN 0.298 nan 8.290 nan 0.000 0.539 345 R N -0.125 120.368 120.500 -0.011 0.000 2.092 345 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 345 R C 2.572 178.862 176.300 -0.016 0.000 1.119 345 R CA 1.249 57.341 56.100 -0.014 0.000 0.970 345 R CB -0.394 29.897 30.300 -0.015 0.000 0.864 345 R HN 0.208 nan 8.270 nan 0.000 0.440 346 V N 1.080 120.986 119.914 -0.014 0.000 2.343 346 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 346 V C 2.451 178.536 176.094 -0.015 0.000 1.051 346 V CA 1.927 64.219 62.300 -0.015 0.000 1.036 346 V CB -0.838 30.977 31.823 -0.013 0.000 0.654 346 V HN 0.568 nan 8.190 nan 0.000 0.451 347 A N -0.805 122.007 122.820 -0.012 0.000 1.940 347 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 347 A C 2.189 179.765 177.584 -0.013 0.000 1.176 347 A CA 2.055 54.085 52.037 -0.012 0.000 0.631 347 A CB -0.493 18.501 19.000 -0.010 0.000 0.814 347 A HN 0.638 nan 8.150 nan 0.000 0.446 348 Q N -0.497 119.295 119.800 -0.014 0.000 2.030 348 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 348 Q C 2.091 178.080 176.000 -0.018 0.000 0.986 348 Q CA 1.806 57.600 55.803 -0.015 0.000 0.843 348 Q CB -0.383 28.346 28.738 -0.016 0.000 0.904 348 Q HN 0.767 nan 8.270 nan 0.000 0.420 349 I N 0.269 120.826 120.570 -0.021 0.000 2.179 349 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 349 I C 2.301 178.404 176.117 -0.023 0.000 1.088 349 I CA 1.199 62.484 61.300 -0.025 0.000 1.357 349 I CB -0.303 37.680 38.000 -0.029 0.000 1.051 349 I HN 0.124 nan 8.210 nan 0.000 0.409 350 R N 0.302 120.790 120.500 -0.020 0.000 2.200 350 R HA -0.230 4.110 4.340 -0.000 0.000 0.234 350 R C 2.238 178.529 176.300 -0.016 0.000 1.127 350 R CA 1.177 57.266 56.100 -0.018 0.000 0.989 350 R CB -0.267 30.024 30.300 -0.015 0.000 0.869 350 R HN 0.355 nan 8.270 nan 0.000 0.459 351 Q N 1.092 120.884 119.800 -0.014 0.000 2.046 351 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 351 Q C 1.773 177.765 176.000 -0.013 0.000 0.975 351 Q CA 1.698 57.493 55.803 -0.012 0.000 0.836 351 Q CB 0.069 28.800 28.738 -0.011 0.000 0.896 351 Q HN 0.340 nan 8.270 nan 0.000 0.428 352 Q N -0.273 119.518 119.800 -0.016 0.000 2.167 352 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 352 Q C 2.130 178.120 176.000 -0.018 0.000 0.970 352 Q CA 1.414 57.208 55.803 -0.017 0.000 0.855 352 Q CB -0.124 28.602 28.738 -0.021 0.000 0.911 352 Q HN 0.459 nan 8.270 nan 0.000 0.438 353 I N 0.977 121.535 120.570 -0.021 0.000 2.208 353 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 353 I C 1.177 177.284 176.117 -0.016 0.000 1.097 353 I CA 1.263 62.549 61.300 -0.023 0.000 1.363 353 I CB -0.135 37.850 38.000 -0.026 0.000 1.051 353 I HN 0.179 nan 8.210 nan 0.000 0.413 354 E N 0.417 120.609 120.200 -0.013 0.000 2.336 354 E HA 0.069 4.419 4.350 -0.000 0.000 0.214 354 E C 0.578 177.174 176.600 -0.006 0.000 1.144 354 E CA 0.005 56.400 56.400 -0.009 0.000 1.294 354 E CB 0.374 30.069 29.700 -0.008 0.000 1.263 354 E HN 0.505 nan 8.360 nan 0.000 0.439 355 E N 0.113 120.309 120.200 -0.006 0.000 3.155 355 E HA 0.158 4.508 4.350 -0.000 0.000 0.208 355 E C 0.184 176.783 176.600 -0.001 0.000 1.060 355 E CA -0.065 56.333 56.400 -0.004 0.000 1.522 355 E CB 0.425 30.122 29.700 -0.006 0.000 1.433 355 E HN 0.099 nan 8.360 nan 0.000 0.709 356 A N 2.492 125.310 122.820 -0.002 0.000 2.476 356 A HA 0.122 4.442 4.320 -0.000 0.000 0.275 356 A C 0.381 177.970 177.584 0.009 0.000 1.133 356 A CA 0.133 52.172 52.037 0.004 0.000 0.797 356 A CB -0.561 18.440 19.000 0.002 0.000 1.081 356 A HN 0.195 nan 8.150 nan 0.000 0.510 357 T N 0.797 115.358 114.554 0.012 0.000 3.455 357 T HA 0.459 4.809 4.350 -0.000 0.000 0.286 357 T C 0.012 174.727 174.700 0.026 0.000 1.157 357 T CA 0.104 62.214 62.100 0.015 0.000 1.090 357 T CB -0.402 68.473 68.868 0.012 0.000 1.112 357 T HN 0.779 nan 8.240 nan 0.000 0.779 358 S N 1.203 116.923 115.700 0.034 0.000 2.590 358 S HA 0.192 4.662 4.470 -0.000 0.000 0.286 358 S C 0.165 174.803 174.600 0.063 0.000 1.147 358 S CA -0.732 57.504 58.200 0.059 0.000 0.963 358 S CB 1.108 64.360 63.200 0.086 0.000 1.124 358 S HN 0.559 nan 8.310 nan 0.000 0.458 359 D N 2.443 122.883 120.400 0.067 0.000 2.350 359 D HA -0.069 4.571 4.640 -0.000 0.000 0.216 359 D C 1.070 177.418 176.300 0.080 0.000 0.968 359 D CA 0.947 54.981 54.000 0.056 0.000 0.894 359 D CB 0.127 40.956 40.800 0.048 0.000 0.909 359 D HN 0.711 nan 8.370 nan 0.000 0.520 360 Y N 1.862 122.160 120.300 -0.003 0.000 2.176 360 Y HA -0.109 4.441 4.550 -0.000 0.000 0.291 360 Y C 1.789 177.682 175.900 -0.012 0.000 1.122 360 Y CA 1.246 59.344 58.100 -0.004 0.000 1.128 360 Y CB 0.012 38.471 38.460 -0.002 0.000 1.005 360 Y HN -0.216 nan 8.280 nan 0.000 0.509 361 D N 0.176 120.591 120.400 0.025 0.000 2.309 361 D HA -0.155 4.485 4.640 -0.000 0.000 0.212 361 D C 2.080 178.317 176.300 -0.104 0.000 0.968 361 D CA 0.879 54.838 54.000 -0.068 0.000 0.882 361 D CB -0.182 40.641 40.800 0.040 0.000 0.918 361 D HN 0.408 nan 8.370 nan 0.000 0.503 362 R N 0.970 121.426 120.500 -0.073 0.000 2.057 362 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 362 R C 1.945 178.186 176.300 -0.099 0.000 1.136 362 R CA 1.142 57.203 56.100 -0.065 0.000 0.952 362 R CB 0.122 30.404 30.300 -0.031 0.000 0.848 362 R HN 0.043 nan 8.270 nan 0.000 0.430 363 E N 0.054 120.177 120.200 -0.129 0.000 2.110 363 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 363 E C 1.934 178.422 176.600 -0.186 0.000 0.988 363 E CA 1.010 57.327 56.400 -0.138 0.000 0.804 363 E CB 0.177 29.800 29.700 -0.127 0.000 0.745 363 E HN 0.133 nan 8.360 nan 0.000 0.458 364 K N 0.334 120.554 120.400 -0.300 0.000 2.155 364 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 364 K C 2.107 178.604 176.600 -0.172 0.000 1.052 364 K CA 0.739 56.852 56.287 -0.291 0.000 0.948 364 K CB -0.094 32.136 32.500 -0.451 0.000 0.728 364 K HN 0.217 nan 8.250 nan 0.000 0.448 365 L N 0.583 121.721 121.223 -0.142 0.000 2.131 365 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 365 L C 2.519 179.346 176.870 -0.072 0.000 1.087 365 L CA 0.890 55.674 54.840 -0.093 0.000 0.767 365 L CB -0.238 41.776 42.059 -0.074 0.000 0.917 365 L HN 0.176 nan 8.230 nan 0.000 0.441 366 Q N -0.264 119.492 119.800 -0.072 0.000 2.167 366 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 366 Q C 2.030 178.000 176.000 -0.050 0.000 0.970 366 Q CA 1.354 57.125 55.803 -0.054 0.000 0.855 366 Q CB 0.038 28.747 28.738 -0.049 0.000 0.911 366 Q HN 0.440 nan 8.270 nan 0.000 0.438 367 E N 0.535 120.697 120.200 -0.063 0.000 2.110 367 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 367 E C 1.908 178.485 176.600 -0.039 0.000 0.988 367 E CA 0.783 57.153 56.400 -0.050 0.000 0.804 367 E CB 0.211 29.873 29.700 -0.063 0.000 0.745 367 E HN 0.228 nan 8.360 nan 0.000 0.458 368 R N 0.018 120.489 120.500 -0.048 0.000 2.075 368 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 368 R C 2.617 178.900 176.300 -0.028 0.000 1.126 368 R CA 1.472 57.548 56.100 -0.040 0.000 0.963 368 R CB -0.432 29.837 30.300 -0.052 0.000 0.858 368 R HN 0.246 nan 8.270 nan 0.000 0.435 369 V N -1.353 118.543 119.914 -0.030 0.000 2.358 369 V HA -0.075 4.045 4.120 -0.000 0.000 0.246 369 V C 2.430 178.514 176.094 -0.016 0.000 1.047 369 V CA 1.606 63.893 62.300 -0.022 0.000 1.035 369 V CB -1.147 30.663 31.823 -0.023 0.000 0.658 369 V HN 0.207 nan 8.190 nan 0.000 0.452 370 A N 0.796 123.605 122.820 -0.018 0.000 1.892 370 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 370 A C 2.344 179.924 177.584 -0.006 0.000 1.188 370 A CA 2.649 54.678 52.037 -0.013 0.000 0.631 370 A CB -0.737 18.254 19.000 -0.015 0.000 0.822 370 A HN 0.617 nan 8.150 nan 0.000 0.447 371 K N -1.348 119.051 120.400 -0.003 0.000 2.032 371 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 371 K C 1.955 178.560 176.600 0.009 0.000 1.048 371 K CA 1.594 57.887 56.287 0.010 0.000 0.927 371 K CB -0.313 32.200 32.500 0.022 0.000 0.712 371 K HN 0.369 nan 8.250 nan 0.000 0.441 372 L N 0.258 121.482 121.223 0.002 0.000 2.068 372 L HA 0.021 4.361 4.340 -0.000 0.000 0.204 372 L C 2.070 178.939 176.870 -0.002 0.000 1.076 372 L CA 1.607 56.447 54.840 0.001 0.000 0.753 372 L CB -0.556 41.499 42.059 -0.006 0.000 0.910 372 L HN 0.108 nan 8.230 nan 0.000 0.439 373 A N -1.050 121.766 122.820 -0.005 0.000 2.016 373 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 373 A C 2.228 179.808 177.584 -0.005 0.000 1.162 373 A CA 1.078 53.111 52.037 -0.006 0.000 0.662 373 A CB -1.192 17.803 19.000 -0.009 0.000 0.812 373 A HN 0.478 nan 8.150 nan 0.000 0.450 374 G N -0.849 107.948 108.800 -0.004 0.000 2.421 374 G HA2 0.344 4.304 3.960 -0.000 0.000 0.217 374 G HA3 0.344 4.304 3.960 -0.000 0.000 0.217 374 G C 1.196 176.094 174.900 -0.004 0.000 1.143 374 G CA 0.730 45.828 45.100 -0.005 0.000 0.784 374 G HN 1.587 nan 8.290 nan 0.000 0.541 375 G N -1.497 107.303 108.800 -0.001 0.000 2.645 375 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.246 375 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.246 375 G C -0.527 174.371 174.900 -0.003 0.000 1.322 375 G CA -0.104 44.995 45.100 -0.001 0.000 0.898 375 G HN 1.036 nan 8.290 nan 0.000 0.573 376 V N 0.208 120.119 119.914 -0.005 0.000 2.760 376 V HA 0.742 4.862 4.120 -0.000 0.000 0.309 376 V C 0.708 176.796 176.094 -0.009 0.000 1.077 376 V CA -0.081 62.214 62.300 -0.008 0.000 0.910 376 V CB 1.618 33.435 31.823 -0.009 0.000 1.008 376 V HN 2.090 nan 8.190 nan 0.000 0.424 377 A N 3.912 126.726 122.820 -0.011 0.000 2.328 377 A HA 0.733 5.053 4.320 -0.000 0.000 0.284 377 A C -0.556 177.022 177.584 -0.009 0.000 1.160 377 A CA -0.312 51.719 52.037 -0.010 0.000 0.818 377 A CB 0.755 19.749 19.000 -0.010 0.000 1.087 377 A HN 0.755 nan 8.150 nan 0.000 0.504 378 V N 4.964 124.874 119.914 -0.007 0.000 2.350 378 V HA 0.273 4.393 4.120 -0.000 0.000 0.285 378 V C -0.170 175.921 176.094 -0.004 0.000 1.014 378 V CA -0.122 62.175 62.300 -0.006 0.000 0.831 378 V CB 0.973 32.791 31.823 -0.007 0.000 1.000 378 V HN 0.749 nan 8.190 nan 0.000 0.433 379 I N 5.100 125.669 120.570 -0.002 0.000 2.342 379 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 379 I C 0.213 176.331 176.117 0.001 0.000 1.010 379 I CA -0.337 60.963 61.300 0.000 0.000 1.308 379 I CB 1.058 39.060 38.000 0.003 0.000 1.400 379 I HN 0.483 nan 8.210 nan 0.000 0.488 380 K N 5.835 126.235 120.400 -0.000 0.000 2.293 380 K HA 0.477 4.797 4.320 -0.000 0.000 0.267 380 K C -0.989 175.611 176.600 0.000 0.000 1.010 380 K CA -0.634 55.652 56.287 -0.000 0.000 0.875 380 K CB 2.056 34.555 32.500 -0.002 0.000 1.106 380 K HN 0.310 nan 8.250 nan 0.000 0.450 381 V N 2.670 122.585 119.914 0.001 0.000 2.432 381 V HA 0.339 4.459 4.120 -0.000 0.000 0.271 381 V C 0.723 176.818 176.094 0.001 0.000 1.046 381 V CA -0.613 61.688 62.300 0.002 0.000 0.945 381 V CB 1.093 32.918 31.823 0.003 0.000 0.992 381 V HN 0.906 nan 8.190 nan 0.000 0.471 382 G N 2.960 111.760 108.800 0.000 0.000 2.441 382 G HA2 0.872 4.832 3.960 -0.000 0.000 0.334 382 G HA3 0.872 4.832 3.960 -0.000 0.000 0.334 382 G C -0.687 174.213 174.900 -0.000 0.000 1.161 382 G CA -0.111 44.989 45.100 -0.000 0.000 0.935 382 G HN 1.262 nan 8.290 nan 0.000 0.488 383 A N -0.986 121.834 122.820 -0.000 0.000 2.567 383 A HA 0.742 5.062 4.320 -0.000 0.000 0.291 383 A C 0.796 178.380 177.584 -0.000 0.000 1.048 383 A CA 0.437 52.473 52.037 -0.000 0.000 0.661 383 A CB 0.451 19.451 19.000 -0.000 0.000 1.288 383 A HN 1.951 nan 8.150 nan 0.000 0.424 384 A N 0.165 122.985 122.820 -0.000 0.000 1.908 384 A HA 0.313 4.633 4.320 -0.000 0.000 0.218 384 A C 1.413 178.996 177.584 -0.000 0.000 1.181 384 A CA 2.759 54.796 52.037 -0.000 0.000 0.627 384 A CB -0.802 18.198 19.000 -0.001 0.000 0.818 384 A HN 2.283 nan 8.150 nan 0.000 0.445 385 T N -5.008 109.546 114.554 -0.000 0.000 2.907 385 T HA 0.521 4.871 4.350 -0.000 0.000 0.290 385 T C 0.528 175.228 174.700 0.001 0.000 1.066 385 T CA 0.025 62.125 62.100 0.000 0.000 1.012 385 T CB 1.922 70.791 68.868 0.000 0.000 1.184 385 T HN 0.256 nan 8.240 nan 0.000 0.522 386 E N -0.204 119.996 120.200 0.001 0.000 2.028 386 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 386 E C 2.198 178.799 176.600 0.002 0.000 0.984 386 E CA 1.552 57.953 56.400 0.002 0.000 0.800 386 E CB -0.253 29.449 29.700 0.002 0.000 0.758 386 E HN 0.597 nan 8.360 nan 0.000 0.448 387 V N -0.356 119.559 119.914 0.002 0.000 2.469 387 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 387 V C 1.933 178.028 176.094 0.001 0.000 1.064 387 V CA 2.104 64.405 62.300 0.002 0.000 1.066 387 V CB -0.837 30.987 31.823 0.002 0.000 0.667 387 V HN 0.193 nan 8.190 nan 0.000 0.461 388 E N -0.301 119.899 120.200 0.000 0.000 2.051 388 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 388 E C 2.207 178.807 176.600 -0.000 0.000 0.991 388 E CA 1.658 58.058 56.400 -0.001 0.000 0.799 388 E CB -0.253 29.446 29.700 -0.001 0.000 0.748 388 E HN 0.537 nan 8.360 nan 0.000 0.449 389 M N 1.062 120.662 119.600 0.000 0.000 2.086 389 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 389 M C 1.729 178.029 176.300 0.001 0.000 1.067 389 M CA 1.544 56.844 55.300 0.000 0.000 1.116 389 M CB -0.162 32.438 32.600 0.001 0.000 1.348 389 M HN -0.096 nan 8.290 nan 0.000 0.407 390 K N 0.111 120.512 120.400 0.001 0.000 2.057 390 K HA -0.165 4.154 4.320 -0.000 0.000 0.207 390 K C 1.920 178.520 176.600 -0.001 0.000 1.049 390 K CA 1.130 57.418 56.287 0.001 0.000 0.931 390 K CB -0.698 31.803 32.500 0.002 0.000 0.714 390 K HN 0.453 nan 8.250 nan 0.000 0.440 391 E N 1.544 121.743 120.200 -0.001 0.000 2.106 391 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 391 E C 1.968 178.566 176.600 -0.003 0.000 0.984 391 E CA 1.151 57.549 56.400 -0.003 0.000 0.806 391 E CB 0.146 29.845 29.700 -0.003 0.000 0.750 391 E HN 0.217 nan 8.360 nan 0.000 0.458 392 K N 0.846 121.245 120.400 -0.002 0.000 2.062 392 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 392 K C 2.310 178.910 176.600 0.000 0.000 1.051 392 K CA 1.281 57.567 56.287 -0.001 0.000 0.941 392 K CB -0.062 32.437 32.500 -0.000 0.000 0.719 392 K HN -0.088 nan 8.250 nan 0.000 0.440 393 K N 0.490 120.890 120.400 0.001 0.000 2.032 393 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 393 K C 1.923 178.524 176.600 0.001 0.000 1.048 393 K CA 1.490 57.778 56.287 0.002 0.000 0.927 393 K CB -0.256 32.245 32.500 0.003 0.000 0.712 393 K HN 0.182 nan 8.250 nan 0.000 0.441 394 A N 1.413 124.231 122.820 -0.004 0.000 1.908 394 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 394 A C 2.135 179.712 177.584 -0.012 0.000 1.181 394 A CA 1.632 53.662 52.037 -0.011 0.000 0.627 394 A CB -0.524 18.468 19.000 -0.013 0.000 0.818 394 A HN 0.384 nan 8.150 nan 0.000 0.445 395 R N -0.835 119.660 120.500 -0.007 0.000 2.092 395 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 395 R C 2.056 178.358 176.300 0.003 0.000 1.119 395 R CA 1.319 57.416 56.100 -0.005 0.000 0.970 395 R CB -0.494 29.804 30.300 -0.004 0.000 0.864 395 R HN 0.411 nan 8.270 nan 0.000 0.440 396 V N 1.262 121.180 119.914 0.007 0.000 2.261 396 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 396 V C 2.032 178.146 176.094 0.033 0.000 1.047 396 V CA 1.820 64.130 62.300 0.017 0.000 1.015 396 V CB -0.428 31.404 31.823 0.014 0.000 0.642 396 V HN 0.343 nan 8.190 nan 0.000 0.446 397 E N -0.360 119.859 120.200 0.031 0.000 2.097 397 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 397 E C 2.063 178.698 176.600 0.058 0.000 1.000 397 E CA 1.608 58.042 56.400 0.056 0.000 0.804 397 E CB -0.223 29.483 29.700 0.010 0.000 0.740 397 E HN 0.559 nan 8.360 nan 0.000 0.454 398 D N 0.054 120.451 120.400 -0.004 0.000 2.078 398 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 398 D C 1.936 178.260 176.300 0.040 0.000 0.990 398 D CA 1.507 55.494 54.000 -0.021 0.000 0.827 398 D CB -0.133 40.651 40.800 -0.027 0.000 0.975 398 D HN 0.137 nan 8.370 nan 0.000 0.451 399 A N 1.271 124.113 122.820 0.037 0.000 1.972 399 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 399 A C 2.353 179.974 177.584 0.061 0.000 1.169 399 A CA 0.845 52.906 52.037 0.041 0.000 0.635 399 A CB -0.723 18.291 19.000 0.024 0.000 0.810 399 A HN 0.392 nan 8.150 nan 0.000 0.446 400 L N -0.647 120.626 121.223 0.083 0.000 2.046 400 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 400 L C 2.343 179.258 176.870 0.076 0.000 1.077 400 L CA 2.224 57.109 54.840 0.075 0.000 0.747 400 L CB -1.081 41.029 42.059 0.086 0.000 0.896 400 L HN 0.562 nan 8.230 nan 0.000 0.432 401 H N -0.821 118.246 119.070 -0.005 0.000 2.389 401 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 401 H C 2.093 177.420 175.328 -0.001 0.000 1.081 401 H CA 1.194 57.240 56.048 -0.004 0.000 1.345 401 H CB 0.324 30.083 29.762 -0.005 0.000 1.393 401 H HN 0.468 nan 8.280 nan 0.000 0.520 402 A N 0.505 123.399 122.820 0.124 0.000 1.930 402 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 402 A C 2.503 180.109 177.584 0.037 0.000 1.175 402 A CA 1.745 53.821 52.037 0.065 0.000 0.627 402 A CB -0.650 18.378 19.000 0.048 0.000 0.815 402 A HN 0.315 nan 8.150 nan 0.000 0.443 403 T N -0.388 114.184 114.554 0.030 0.000 2.857 403 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 403 T C 2.040 176.740 174.700 0.001 0.000 1.048 403 T CA 1.204 63.312 62.100 0.013 0.000 1.139 403 T CB -0.192 68.682 68.868 0.010 0.000 0.874 403 T HN 0.452 nan 8.240 nan 0.000 0.455 404 R N 1.015 121.507 120.500 -0.012 0.000 2.092 404 R HA 0.076 4.416 4.340 -0.000 0.000 0.231 404 R C 2.840 179.130 176.300 -0.016 0.000 1.119 404 R CA 1.215 57.297 56.100 -0.030 0.000 0.970 404 R CB -0.491 29.765 30.300 -0.074 0.000 0.864 404 R HN 0.373 nan 8.270 nan 0.000 0.440 405 A N 1.377 124.196 122.820 -0.002 0.000 1.902 405 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 405 A C 2.385 179.976 177.584 0.011 0.000 1.181 405 A CA 1.699 53.743 52.037 0.011 0.000 0.623 405 A CB -0.547 18.470 19.000 0.028 0.000 0.818 405 A HN 0.384 nan 8.150 nan 0.000 0.443 406 A N -0.580 122.246 122.820 0.011 0.000 1.902 406 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 406 A C 2.224 179.811 177.584 0.006 0.000 1.181 406 A CA 1.767 53.810 52.037 0.010 0.000 0.623 406 A CB -0.971 18.035 19.000 0.011 0.000 0.818 406 A HN 0.395 nan 8.150 nan 0.000 0.443 407 V N 0.152 120.067 119.914 0.002 0.000 2.332 407 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 407 V C 2.421 178.515 176.094 0.000 0.000 1.055 407 V CA 2.387 64.687 62.300 -0.001 0.000 1.038 407 V CB -0.830 30.990 31.823 -0.006 0.000 0.651 407 V HN 0.649 nan 8.190 nan 0.000 0.450 408 E N -0.437 119.763 120.200 -0.000 0.000 2.072 408 E HA -0.163 4.186 4.350 -0.000 0.000 0.191 408 E C 1.600 178.203 176.600 0.005 0.000 0.985 408 E CA 1.338 57.739 56.400 0.001 0.000 0.801 408 E CB 0.036 29.737 29.700 0.001 0.000 0.750 408 E HN 0.657 nan 8.360 nan 0.000 0.452 409 E N -1.056 119.149 120.200 0.008 0.000 2.743 409 E HA 0.205 4.555 4.350 -0.000 0.000 0.222 409 E C 0.097 176.704 176.600 0.010 0.000 0.959 409 E CA 0.105 56.511 56.400 0.009 0.000 1.198 409 E CB 1.641 31.348 29.700 0.012 0.000 1.100 409 E HN 0.228 nan 8.360 nan 0.000 0.518 410 G N 1.305 110.111 108.800 0.010 0.000 2.741 410 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.222 410 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.222 410 G C -0.259 174.648 174.900 0.013 0.000 1.364 410 G CA -0.403 44.703 45.100 0.011 0.000 0.866 410 G HN 0.503 nan 8.290 nan 0.000 0.555 411 V N -2.445 117.477 119.914 0.013 0.000 2.823 411 V HA 0.953 5.073 4.120 -0.000 0.000 0.312 411 V C 0.664 176.768 176.094 0.016 0.000 1.072 411 V CA 0.061 62.369 62.300 0.014 0.000 0.937 411 V CB 1.227 33.057 31.823 0.012 0.000 1.013 411 V HN 2.337 nan 8.190 nan 0.000 0.430 412 V N 0.328 120.251 119.914 0.016 0.000 3.158 412 V HA 1.017 5.137 4.120 -0.000 0.000 0.315 412 V C 0.579 176.683 176.094 0.016 0.000 1.148 412 V CA -0.651 61.660 62.300 0.019 0.000 1.042 412 V CB 1.359 33.194 31.823 0.020 0.000 1.101 412 V HN 1.865 nan 8.190 nan 0.000 0.448 413 A N 0.735 123.566 122.820 0.019 0.000 2.488 413 A HA 0.664 4.984 4.320 -0.000 0.000 0.249 413 A C 0.835 178.423 177.584 0.006 0.000 1.083 413 A CA 0.527 52.571 52.037 0.012 0.000 0.768 413 A CB -0.428 18.582 19.000 0.018 0.000 1.017 413 A HN 1.826 nan 8.150 nan 0.000 0.496 414 G N 0.763 109.560 108.800 -0.004 0.000 2.504 414 G HA2 0.489 4.449 3.960 -0.000 0.000 0.257 414 G HA3 0.489 4.449 3.960 -0.000 0.000 0.257 414 G C 1.186 176.081 174.900 -0.008 0.000 1.451 414 G CA -0.005 45.092 45.100 -0.006 0.000 1.059 414 G HN 2.211 nan 8.290 nan 0.000 0.550 415 G N -2.009 106.784 108.800 -0.010 0.000 2.212 415 G HA2 0.180 4.140 3.960 -0.000 0.000 0.267 415 G HA3 0.180 4.140 3.960 -0.000 0.000 0.267 415 G C 1.544 176.454 174.900 0.017 0.000 1.002 415 G CA 1.383 46.482 45.100 -0.002 0.000 0.729 415 G HN 2.478 nan 8.290 nan 0.000 0.517 416 G N -2.445 106.364 108.800 0.015 0.000 2.184 416 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.264 416 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.264 416 G C 1.811 176.725 174.900 0.023 0.000 0.975 416 G CA 1.849 46.961 45.100 0.020 0.000 0.642 416 G HN 2.208 nan 8.290 nan 0.000 0.536 417 V N -1.954 117.973 119.914 0.022 0.000 2.809 417 V HA 0.424 4.544 4.120 -0.000 0.000 0.256 417 V C 2.699 178.812 176.094 0.031 0.000 1.080 417 V CA 1.914 64.231 62.300 0.027 0.000 1.102 417 V CB -0.549 31.286 31.823 0.019 0.000 0.705 417 V HN 1.385 nan 8.190 nan 0.000 0.475 418 A N 0.610 123.446 122.820 0.026 0.000 1.933 418 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 418 A C 2.220 179.821 177.584 0.027 0.000 1.175 418 A CA 2.056 54.110 52.037 0.028 0.000 0.628 418 A CB -0.596 18.418 19.000 0.024 0.000 0.814 418 A HN 0.578 nan 8.150 nan 0.000 0.444 419 L N -1.051 120.186 121.223 0.025 0.000 2.109 419 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 419 L C 2.455 179.339 176.870 0.024 0.000 1.086 419 L CA 1.154 56.008 54.840 0.023 0.000 0.760 419 L CB -0.212 41.860 42.059 0.021 0.000 0.910 419 L HN 0.480 nan 8.230 nan 0.000 0.437 420 I N -0.535 120.052 120.570 0.027 0.000 2.500 420 I HA -0.253 3.917 4.170 -0.000 0.000 0.252 420 I C 2.689 178.827 176.117 0.035 0.000 1.142 420 I CA 0.704 62.022 61.300 0.029 0.000 1.451 420 I CB 0.075 38.093 38.000 0.030 0.000 1.093 420 I HN 0.165 nan 8.210 nan 0.000 0.430 421 R N 0.242 120.767 120.500 0.041 0.000 2.092 421 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 421 R C 1.901 178.223 176.300 0.037 0.000 1.119 421 R CA 1.827 57.956 56.100 0.048 0.000 0.970 421 R CB -0.709 29.625 30.300 0.056 0.000 0.864 421 R HN 0.246 nan 8.270 nan 0.000 0.440 422 V N 0.501 120.433 119.914 0.030 0.000 2.488 422 V HA -0.047 4.073 4.120 -0.000 0.000 0.246 422 V C 2.238 178.345 176.094 0.020 0.000 1.046 422 V CA 1.602 63.916 62.300 0.024 0.000 1.053 422 V CB -0.469 31.366 31.823 0.020 0.000 0.679 422 V HN 0.527 nan 8.190 nan 0.000 0.458 423 A N 0.772 123.604 122.820 0.020 0.000 1.933 423 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 423 A C 2.476 180.071 177.584 0.018 0.000 1.175 423 A CA 2.148 54.195 52.037 0.017 0.000 0.628 423 A CB -0.696 18.314 19.000 0.017 0.000 0.814 423 A HN 0.676 nan 8.150 nan 0.000 0.444 424 S N -0.425 115.288 115.700 0.022 0.000 2.474 424 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 424 S C 1.495 176.106 174.600 0.020 0.000 0.997 424 S CA 1.279 59.492 58.200 0.022 0.000 0.949 424 S CB -0.218 63.000 63.200 0.029 0.000 0.766 424 S HN 0.603 nan 8.310 nan 0.000 0.517 425 K N 0.503 120.915 120.400 0.020 0.000 2.426 425 K HA 0.327 4.647 4.320 -0.000 0.000 0.193 425 K C 0.490 177.098 176.600 0.013 0.000 1.028 425 K CA 0.257 56.554 56.287 0.017 0.000 1.047 425 K CB -0.005 32.506 32.500 0.018 0.000 0.821 425 K HN 0.381 nan 8.250 nan 0.000 0.513 426 L N -0.028 121.202 121.223 0.012 0.000 3.017 426 L HA 0.278 4.618 4.340 -0.000 0.000 0.255 426 L C 1.407 178.282 176.870 0.008 0.000 1.247 426 L CA -0.286 54.559 54.840 0.009 0.000 1.038 426 L CB 0.520 42.584 42.059 0.009 0.000 1.380 426 L HN 0.037 nan 8.230 nan 0.000 0.548 427 A N -0.232 122.593 122.820 0.008 0.000 2.019 427 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 427 A C 1.611 179.198 177.584 0.006 0.000 1.164 427 A CA 1.720 53.761 52.037 0.007 0.000 0.644 427 A CB -0.165 18.839 19.000 0.008 0.000 0.805 427 A HN 0.354 nan 8.150 nan 0.000 0.449 428 D N -1.301 119.103 120.400 0.005 0.000 2.349 428 D HA 0.133 4.773 4.640 -0.000 0.000 0.215 428 D C 0.357 176.660 176.300 0.004 0.000 1.016 428 D CA -0.131 53.871 54.000 0.004 0.000 0.870 428 D CB -0.123 40.679 40.800 0.004 0.000 0.917 428 D HN 0.348 nan 8.370 nan 0.000 0.524 429 L N 1.837 123.063 121.223 0.004 0.000 2.462 429 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 429 L C 0.026 176.898 176.870 0.003 0.000 1.166 429 L CA 0.473 55.315 54.840 0.004 0.000 0.880 429 L CB 0.127 42.189 42.059 0.004 0.000 1.142 429 L HN -0.194 nan 8.230 nan 0.000 0.473 430 R N 3.427 123.929 120.500 0.003 0.000 2.867 430 R HA 0.738 5.078 4.340 -0.000 0.000 0.268 430 R C -0.167 176.135 176.300 0.002 0.000 1.014 430 R CA -0.379 55.722 56.100 0.003 0.000 0.946 430 R CB 1.321 31.622 30.300 0.002 0.000 1.208 430 R HN 0.794 nan 8.270 nan 0.000 0.477 431 G N -0.346 108.455 108.800 0.002 0.000 3.107 431 G HA2 0.159 4.119 3.960 -0.000 0.000 0.232 431 G HA3 0.159 4.119 3.960 -0.000 0.000 0.232 431 G C 0.138 175.039 174.900 0.002 0.000 1.339 431 G CA -0.188 44.913 45.100 0.002 0.000 1.033 431 G HN 0.269 nan 8.290 nan 0.000 0.567 432 Q N -0.356 119.445 119.800 0.002 0.000 2.230 432 Q HA 0.018 4.358 4.340 -0.000 0.000 0.202 432 Q C 0.301 176.302 176.000 0.002 0.000 0.963 432 Q CA 1.055 56.859 55.803 0.002 0.000 0.866 432 Q CB -0.138 28.601 28.738 0.002 0.000 0.931 432 Q HN 0.699 nan 8.270 nan 0.000 0.452 433 N N -2.265 116.436 118.700 0.002 0.000 2.934 433 N HA 0.110 4.850 4.740 -0.000 0.000 0.253 433 N C 0.098 175.610 175.510 0.002 0.000 1.466 433 N CA -0.561 52.491 53.050 0.002 0.000 0.858 433 N CB 0.466 38.955 38.487 0.002 0.000 1.459 433 N HN -0.414 nan 8.380 nan 0.000 0.532 434 E N -0.189 120.013 120.200 0.002 0.000 2.153 434 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 434 E C 0.256 176.858 176.600 0.003 0.000 0.988 434 E CA 1.070 57.472 56.400 0.003 0.000 0.811 434 E CB -0.264 29.437 29.700 0.002 0.000 0.746 434 E HN 0.566 nan 8.360 nan 0.000 0.466 435 D N 0.640 121.042 120.400 0.003 0.000 2.097 435 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 435 D C 1.989 178.291 176.300 0.004 0.000 0.989 435 D CA 0.937 54.939 54.000 0.004 0.000 0.827 435 D CB -0.208 40.595 40.800 0.004 0.000 0.966 435 D HN 0.277 nan 8.370 nan 0.000 0.456 436 Q N 0.101 119.904 119.800 0.004 0.000 2.124 436 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 436 Q C 1.836 177.838 176.000 0.003 0.000 0.977 436 Q CA 0.833 56.638 55.803 0.003 0.000 0.850 436 Q CB -0.041 28.699 28.738 0.003 0.000 0.901 436 Q HN 0.233 nan 8.270 nan 0.000 0.429 437 N N -0.018 118.684 118.700 0.003 0.000 2.120 437 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 437 N C 1.790 177.303 175.510 0.004 0.000 1.024 437 N CA 0.977 54.029 53.050 0.003 0.000 0.852 437 N CB -0.311 38.178 38.487 0.003 0.000 1.003 437 N HN 0.041 nan 8.380 nan 0.000 0.424 438 V N 0.575 120.491 119.914 0.004 0.000 2.427 438 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 438 V C 2.359 178.456 176.094 0.005 0.000 1.051 438 V CA 1.881 64.183 62.300 0.004 0.000 1.048 438 V CB -1.158 30.667 31.823 0.004 0.000 0.666 438 V HN 0.342 nan 8.190 nan 0.000 0.456 439 G N -0.021 108.782 108.800 0.005 0.000 2.418 439 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 439 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 439 G C 1.579 176.482 174.900 0.005 0.000 1.158 439 G CA 0.980 46.083 45.100 0.005 0.000 0.771 439 G HN 0.475 nan 8.290 nan 0.000 0.545 440 I N 0.369 120.942 120.570 0.005 0.000 2.179 440 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 440 I C 2.739 178.859 176.117 0.005 0.000 1.088 440 I CA 1.092 62.394 61.300 0.005 0.000 1.357 440 I CB -0.109 37.894 38.000 0.004 0.000 1.051 440 I HN 0.019 nan 8.210 nan 0.000 0.409 441 K N 0.489 120.892 120.400 0.005 0.000 2.097 441 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 441 K C 2.134 178.738 176.600 0.006 0.000 1.049 441 K CA 1.007 57.298 56.287 0.006 0.000 0.933 441 K CB -0.655 31.848 32.500 0.005 0.000 0.717 441 K HN 0.218 nan 8.250 nan 0.000 0.442 442 V N 1.659 121.577 119.914 0.006 0.000 2.287 442 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 442 V C 2.474 178.573 176.094 0.008 0.000 1.053 442 V CA 2.085 64.389 62.300 0.007 0.000 1.027 442 V CB -0.734 31.094 31.823 0.007 0.000 0.646 442 V HN 0.314 nan 8.190 nan 0.000 0.447 443 A N -0.624 122.201 122.820 0.008 0.000 1.930 443 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 443 A C 2.180 179.770 177.584 0.009 0.000 1.175 443 A CA 1.567 53.609 52.037 0.008 0.000 0.627 443 A CB -0.451 18.553 19.000 0.007 0.000 0.815 443 A HN 0.514 nan 8.150 nan 0.000 0.443 444 L N -1.183 120.046 121.223 0.009 0.000 2.093 444 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 444 L C 2.799 179.675 176.870 0.010 0.000 1.085 444 L CA 1.182 56.028 54.840 0.009 0.000 0.755 444 L CB -0.435 41.629 42.059 0.009 0.000 0.904 444 L HN 0.345 nan 8.230 nan 0.000 0.435 445 R N -0.017 120.488 120.500 0.009 0.000 2.115 445 R HA -0.058 4.282 4.340 -0.000 0.000 0.230 445 R C 2.408 178.714 176.300 0.009 0.000 1.111 445 R CA 1.082 57.187 56.100 0.008 0.000 0.976 445 R CB -0.376 29.928 30.300 0.007 0.000 0.870 445 R HN 0.311 nan 8.270 nan 0.000 0.445 446 A N 1.161 123.987 122.820 0.010 0.000 1.969 446 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 446 A C 2.052 179.644 177.584 0.013 0.000 1.169 446 A CA 1.116 53.160 52.037 0.012 0.000 0.635 446 A CB -0.368 18.640 19.000 0.013 0.000 0.810 446 A HN 0.188 nan 8.150 nan 0.000 0.445 447 M N -0.440 119.168 119.600 0.014 0.000 2.549 447 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 447 M C 1.324 177.634 176.300 0.016 0.000 1.076 447 M CA 1.035 56.344 55.300 0.016 0.000 1.090 447 M CB -0.334 32.275 32.600 0.016 0.000 1.418 447 M HN 0.476 nan 8.290 nan 0.000 0.486 448 E N 0.527 120.735 120.200 0.013 0.000 2.385 448 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 448 E C 2.140 178.746 176.600 0.009 0.000 1.013 448 E CA 0.504 56.911 56.400 0.011 0.000 0.866 448 E CB 0.042 29.747 29.700 0.009 0.000 0.832 448 E HN 0.487 nan 8.360 nan 0.000 0.500 449 A N 2.591 125.417 122.820 0.010 0.000 1.883 449 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 449 A C -0.284 177.306 177.584 0.010 0.000 1.186 449 A CA 1.272 53.314 52.037 0.009 0.000 0.624 449 A CB -1.403 17.603 19.000 0.010 0.000 0.822 449 A HN 0.128 nan 8.150 nan 0.000 0.444 450 P HA -0.173 nan 4.420 nan 0.000 0.214 450 P C 1.827 179.136 177.300 0.015 0.000 1.163 450 P CA 1.157 64.265 63.100 0.014 0.000 0.889 450 P CB -0.143 31.567 31.700 0.017 0.000 0.790 451 L N -0.606 120.627 121.223 0.016 0.000 2.017 451 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 451 L C 2.469 179.344 176.870 0.008 0.000 1.073 451 L CA 1.831 56.682 54.840 0.018 0.000 0.745 451 L CB -0.494 41.577 42.059 0.020 0.000 0.894 451 L HN -0.238 nan 8.230 nan 0.000 0.432 452 R N -0.789 119.710 120.500 -0.001 0.000 2.117 452 R HA -0.248 4.092 4.340 -0.000 0.000 0.243 452 R C 2.348 178.645 176.300 -0.005 0.000 1.143 452 R CA 1.742 57.835 56.100 -0.011 0.000 0.968 452 R CB -0.428 29.867 30.300 -0.009 0.000 0.863 452 R HN 0.435 nan 8.270 nan 0.000 0.444 453 Q N 1.055 120.857 119.800 0.003 0.000 2.079 453 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 453 Q C 1.834 177.840 176.000 0.011 0.000 0.974 453 Q CA 1.565 57.371 55.803 0.006 0.000 0.840 453 Q CB -0.138 28.604 28.738 0.007 0.000 0.898 453 Q HN 0.349 nan 8.270 nan 0.000 0.430 454 I N -0.651 119.929 120.570 0.018 0.000 2.127 454 I HA -0.285 3.885 4.170 -0.000 0.000 0.241 454 I C 2.085 178.227 176.117 0.042 0.000 1.075 454 I CA 1.113 62.431 61.300 0.030 0.000 1.334 454 I CB -0.445 37.579 38.000 0.040 0.000 1.040 454 I HN 0.050 nan 8.210 nan 0.000 0.405 455 V N 0.663 120.598 119.914 0.035 0.000 2.332 455 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 455 V C 2.394 178.492 176.094 0.007 0.000 1.055 455 V CA 1.730 64.039 62.300 0.015 0.000 1.038 455 V CB -0.624 31.154 31.823 -0.075 0.000 0.651 455 V HN 0.349 nan 8.190 nan 0.000 0.450 456 L N 0.905 122.128 121.223 0.000 0.000 1.994 456 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 456 L C 2.270 179.145 176.870 0.008 0.000 1.071 456 L CA 2.035 56.876 54.840 0.001 0.000 0.745 456 L CB -0.958 41.101 42.059 -0.001 0.000 0.892 456 L HN 0.299 nan 8.230 nan 0.000 0.431 457 N N -0.820 117.887 118.700 0.011 0.000 2.184 457 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 457 N C 1.765 177.285 175.510 0.017 0.000 1.011 457 N CA 1.828 54.886 53.050 0.012 0.000 0.867 457 N CB -0.966 37.528 38.487 0.011 0.000 0.993 457 N HN 0.456 nan 8.380 nan 0.000 0.433 458 C N -1.025 118.292 119.300 0.029 0.000 2.500 458 C HA 0.277 4.737 4.460 -0.000 0.000 0.273 458 C C 1.668 176.677 174.990 0.032 0.000 1.428 458 C CA 0.372 59.413 59.018 0.038 0.000 1.766 458 C CB -1.130 26.657 27.740 0.077 0.000 1.817 458 C HN 0.649 nan 8.230 nan 0.000 0.543 459 G N 0.960 109.774 108.800 0.022 0.000 2.137 459 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.237 459 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.237 459 G C -0.311 174.598 174.900 0.016 0.000 1.002 459 G CA 0.072 45.181 45.100 0.016 0.000 0.702 459 G HN 0.506 nan 8.290 nan 0.000 0.515 460 E N 0.206 120.414 120.200 0.013 0.000 2.232 460 E HA 0.429 4.779 4.350 -0.000 0.000 0.264 460 E C 0.158 176.741 176.600 -0.027 0.000 0.973 460 E CA -0.807 55.591 56.400 -0.004 0.000 0.849 460 E CB 0.839 30.533 29.700 -0.010 0.000 1.198 460 E HN 0.492 nan 8.360 nan 0.000 0.407 461 E N 2.009 122.188 120.200 -0.035 0.000 2.265 461 E HA 0.055 4.405 4.350 -0.000 0.000 0.272 461 E C -1.627 174.935 176.600 -0.063 0.000 1.067 461 E CA -1.447 54.930 56.400 -0.038 0.000 0.900 461 E CB 0.631 30.315 29.700 -0.027 0.000 1.017 461 E HN 0.133 nan 8.360 nan 0.000 0.431 462 P HA -0.202 nan 4.420 nan 0.000 0.216 462 P C 1.149 178.414 177.300 -0.058 0.000 1.153 462 P CA 1.177 64.240 63.100 -0.061 0.000 0.848 462 P CB 0.266 31.946 31.700 -0.034 0.000 0.787 463 S N -0.971 114.705 115.700 -0.039 0.000 2.368 463 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 463 S C 2.063 176.643 174.600 -0.033 0.000 1.029 463 S CA 1.101 59.283 58.200 -0.029 0.000 0.988 463 S CB -1.738 61.451 63.200 -0.019 0.000 0.838 463 S HN -0.060 nan 8.310 nan 0.000 0.462 464 V N 1.745 121.635 119.914 -0.039 0.000 2.343 464 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 464 V C 2.573 178.639 176.094 -0.047 0.000 1.051 464 V CA 1.581 63.860 62.300 -0.036 0.000 1.036 464 V CB -0.730 31.074 31.823 -0.031 0.000 0.654 464 V HN 0.415 nan 8.190 nan 0.000 0.451 465 V N -0.017 119.839 119.914 -0.097 0.000 2.283 465 V HA -0.185 3.934 4.120 -0.000 0.000 0.243 465 V C 2.715 178.774 176.094 -0.058 0.000 1.039 465 V CA 1.810 64.023 62.300 -0.146 0.000 1.016 465 V CB -1.051 30.510 31.823 -0.437 0.000 0.650 465 V HN 0.543 nan 8.190 nan 0.000 0.449 466 A N 0.290 123.076 122.820 -0.056 0.000 1.958 466 A HA -0.359 3.961 4.320 -0.000 0.000 0.221 466 A C 2.015 179.605 177.584 0.009 0.000 1.178 466 A CA 2.634 54.663 52.037 -0.014 0.000 0.642 466 A CB -0.976 18.015 19.000 -0.016 0.000 0.816 466 A HN 0.622 nan 8.150 nan 0.000 0.453 467 N N -0.565 118.135 118.700 -0.000 0.000 2.043 467 N HA -0.129 4.611 4.740 -0.000 0.000 0.193 467 N C 1.719 177.240 175.510 0.018 0.000 1.037 467 N CA 2.355 55.408 53.050 0.005 0.000 0.851 467 N CB -0.413 38.069 38.487 -0.007 0.000 1.027 467 N HN 0.503 nan 8.380 nan 0.000 0.422 468 T N -0.799 113.766 114.554 0.018 0.000 2.904 468 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 468 T C 2.009 176.774 174.700 0.109 0.000 1.059 468 T CA 0.932 63.039 62.100 0.011 0.000 1.137 468 T CB -0.361 68.440 68.868 -0.110 0.000 0.879 468 T HN -0.002 nan 8.240 nan 0.000 0.467 469 V N 1.593 121.588 119.914 0.135 0.000 2.427 469 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 469 V C 2.470 178.646 176.094 0.138 0.000 1.051 469 V CA 1.434 63.825 62.300 0.152 0.000 1.048 469 V CB -0.543 31.343 31.823 0.105 0.000 0.666 469 V HN 0.454 nan 8.190 nan 0.000 0.456 470 K N 0.494 120.948 120.400 0.089 0.000 2.097 470 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 470 K C 2.260 178.903 176.600 0.071 0.000 1.049 470 K CA 1.368 57.696 56.287 0.068 0.000 0.933 470 K CB -0.600 31.925 32.500 0.041 0.000 0.717 470 K HN 0.557 nan 8.250 nan 0.000 0.442 471 G N 1.161 110.005 108.800 0.072 0.000 2.432 471 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 471 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 471 G C 0.817 175.750 174.900 0.056 0.000 1.135 471 G CA 0.768 45.897 45.100 0.049 0.000 0.767 471 G HN 0.390 nan 8.290 nan 0.000 0.550 472 G N -1.014 107.876 108.800 0.149 0.000 2.588 472 G HA2 0.454 4.414 3.960 -0.000 0.000 0.278 472 G HA3 0.454 4.414 3.960 -0.000 0.000 0.278 472 G C -1.047 173.928 174.900 0.125 0.000 1.307 472 G CA -0.346 44.840 45.100 0.143 0.000 1.016 472 G HN 0.122 nan 8.290 nan 0.000 0.503 473 D N -1.656 118.810 120.400 0.109 0.000 2.601 473 D HA 0.519 5.159 4.640 -0.000 0.000 0.230 473 D C 0.935 177.307 176.300 0.120 0.000 1.106 473 D CA 0.794 54.843 54.000 0.082 0.000 0.873 473 D CB 1.965 42.776 40.800 0.019 0.000 1.515 473 D HN 0.792 nan 8.370 nan 0.000 0.468 474 G N 2.583 111.436 108.800 0.088 0.000 2.629 474 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.313 474 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.313 474 G C 0.242 175.203 174.900 0.101 0.000 1.217 474 G CA 0.334 45.482 45.100 0.081 0.000 0.994 474 G HN 0.624 nan 8.290 nan 0.000 0.549 475 N N 0.284 119.046 118.700 0.103 0.000 2.714 475 N HA 0.456 5.196 4.740 -0.000 0.000 0.298 475 N C -0.549 175.046 175.510 0.141 0.000 1.298 475 N CA -0.127 52.981 53.050 0.096 0.000 1.007 475 N CB 0.410 38.934 38.487 0.062 0.000 1.318 475 N HN 0.570 nan 8.380 nan 0.000 0.516 476 Y N 0.133 120.465 120.300 0.053 0.000 2.360 476 Y HA 0.761 5.311 4.550 0.000 0.000 0.337 476 Y C 0.403 176.369 175.900 0.111 0.000 1.039 476 Y CA -0.393 57.752 58.100 0.075 0.000 1.109 476 Y CB 1.008 39.511 38.460 0.072 0.000 1.201 476 Y HN 0.085 nan 8.280 nan 0.000 0.458 477 G N 3.237 111.643 108.800 -0.656 0.000 2.435 477 G HA2 0.113 4.073 3.960 -0.000 0.000 0.296 477 G HA3 0.113 4.073 3.960 -0.000 0.000 0.296 477 G C -2.464 172.256 174.900 -0.300 0.000 1.240 477 G CA -0.960 43.878 45.100 -0.437 0.000 0.872 477 G HN 0.617 nan 8.290 nan 0.000 0.480 478 Y N 1.827 121.927 120.300 -0.335 0.000 2.335 478 Y HA 0.630 5.180 4.550 -0.000 0.000 0.339 478 Y C 0.011 175.703 175.900 -0.347 0.000 0.987 478 Y CA -1.172 56.600 58.100 -0.547 0.000 1.140 478 Y CB 1.260 39.442 38.460 -0.464 0.000 1.173 478 Y HN 0.466 nan 8.280 nan 0.000 0.486 479 N N 4.579 122.790 118.700 -0.815 0.000 2.406 479 N HA 0.231 4.971 4.740 -0.000 0.000 0.251 479 N C 0.358 175.319 175.510 -0.916 0.000 1.069 479 N CA 0.417 53.086 53.050 -0.636 0.000 0.947 479 N CB 1.403 39.639 38.487 -0.418 0.000 1.111 479 N HN 0.807 nan 8.380 nan 0.000 0.497 480 A N 3.432 125.914 122.820 -0.562 0.000 2.119 480 A HA 0.109 4.428 4.320 -0.000 0.000 0.217 480 A C 1.849 179.295 177.584 -0.230 0.000 1.153 480 A CA 1.368 53.197 52.037 -0.347 0.000 0.692 480 A CB -0.476 18.495 19.000 -0.048 0.000 0.799 480 A HN 0.728 nan 8.150 nan 0.000 0.458 481 A N -0.311 122.375 122.820 -0.224 0.000 1.844 481 A HA 0.038 4.357 4.320 -0.000 0.000 0.212 481 A C 2.244 179.742 177.584 -0.144 0.000 1.221 481 A CA 1.963 53.914 52.037 -0.143 0.000 0.607 481 A CB -0.998 17.935 19.000 -0.112 0.000 0.878 481 A HN 0.708 nan 8.150 nan 0.000 0.451 482 T N -2.884 111.564 114.554 -0.177 0.000 3.107 482 T HA 0.261 4.611 4.350 -0.000 0.000 0.249 482 T C 0.167 174.759 174.700 -0.180 0.000 1.096 482 T CA 0.712 62.727 62.100 -0.142 0.000 1.012 482 T CB -0.309 68.493 68.868 -0.110 0.000 0.977 482 T HN 0.552 nan 8.240 nan 0.000 0.527 483 E N 0.410 120.420 120.200 -0.317 0.000 2.476 483 E HA -0.200 4.150 4.350 -0.000 0.000 0.251 483 E C -0.207 176.179 176.600 -0.357 0.000 1.130 483 E CA 0.524 56.681 56.400 -0.404 0.000 0.736 483 E CB -1.321 28.322 29.700 -0.094 0.000 1.298 483 E HN 0.811 nan 8.360 nan 0.000 0.400 484 E N 0.075 120.032 120.200 -0.406 0.000 2.183 484 E HA 0.357 4.707 4.350 -0.000 0.000 0.271 484 E C -0.925 175.489 176.600 -0.309 0.000 0.919 484 E CA -0.670 55.599 56.400 -0.217 0.000 0.781 484 E CB 0.866 30.505 29.700 -0.102 0.000 1.140 484 E HN 0.067 nan 8.360 nan 0.000 0.402 485 Y N 1.754 122.038 120.300 -0.028 0.000 2.310 485 Y HA 0.638 5.188 4.550 -0.000 0.000 0.326 485 Y C 1.001 176.918 175.900 0.028 0.000 1.151 485 Y CA 0.548 58.614 58.100 -0.057 0.000 1.195 485 Y CB 2.016 40.508 38.460 0.053 0.000 1.210 485 Y HN 0.686 nan 8.280 nan 0.000 0.483 486 G N 1.292 110.158 108.800 0.109 0.000 2.323 486 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.291 486 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.291 486 G C -1.744 173.288 174.900 0.220 0.000 1.278 486 G CA -1.247 44.017 45.100 0.273 0.000 0.860 486 G HN 0.518 nan 8.290 nan 0.000 0.504 487 N N 1.111 119.933 118.700 0.203 0.000 2.438 487 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 487 N C 1.686 177.230 175.510 0.056 0.000 1.222 487 N CA -0.284 52.849 53.050 0.138 0.000 0.930 487 N CB 0.657 39.209 38.487 0.108 0.000 1.083 487 N HN 0.391 nan 8.380 nan 0.000 0.476 488 M N 3.718 123.337 119.600 0.031 0.000 2.099 488 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 488 M C 1.753 178.051 176.300 -0.003 0.000 1.067 488 M CA 1.070 56.365 55.300 -0.010 0.000 1.124 488 M CB -0.560 32.030 32.600 -0.016 0.000 1.353 488 M HN 0.543 nan 8.290 nan 0.000 0.410 489 I N 0.566 121.144 120.570 0.013 0.000 2.179 489 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 489 I C 1.870 177.992 176.117 0.008 0.000 1.088 489 I CA 1.523 62.830 61.300 0.011 0.000 1.357 489 I CB -1.726 36.284 38.000 0.018 0.000 1.051 489 I HN 0.219 nan 8.210 nan 0.000 0.409 490 D N 0.949 121.358 120.400 0.016 0.000 2.123 490 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 490 D C 2.241 178.543 176.300 0.003 0.000 0.992 490 D CA 1.284 55.292 54.000 0.014 0.000 0.833 490 D CB -0.237 40.578 40.800 0.024 0.000 0.954 490 D HN 0.335 nan 8.370 nan 0.000 0.455 491 M N -0.865 118.733 119.600 -0.004 0.000 2.659 491 M HA 0.125 4.605 4.480 -0.000 0.000 0.243 491 M C 1.089 177.373 176.300 -0.026 0.000 1.111 491 M CA 0.710 55.999 55.300 -0.020 0.000 1.070 491 M CB 0.311 32.888 32.600 -0.037 0.000 1.525 491 M HN 0.106 nan 8.290 nan 0.000 0.517 492 G N 2.065 110.854 108.800 -0.018 0.000 2.147 492 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 492 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 492 G C -0.076 174.809 174.900 -0.025 0.000 1.005 492 G CA -0.236 44.853 45.100 -0.018 0.000 0.713 492 G HN 0.512 nan 8.290 nan 0.000 0.515 493 I N 0.958 121.509 120.570 -0.032 0.000 2.347 493 I HA 0.568 4.738 4.170 -0.000 0.000 0.283 493 I C 0.138 176.241 176.117 -0.023 0.000 1.058 493 I CA -0.913 60.365 61.300 -0.037 0.000 1.202 493 I CB 0.665 38.628 38.000 -0.062 0.000 1.386 493 I HN 0.232 nan 8.210 nan 0.000 0.475 494 L N 2.740 123.955 121.223 -0.013 0.000 2.424 494 L HA 0.770 5.110 4.340 -0.000 0.000 0.258 494 L C -1.247 175.624 176.870 0.001 0.000 0.995 494 L CA -0.715 54.123 54.840 -0.003 0.000 0.821 494 L CB 1.628 43.688 42.059 0.001 0.000 1.383 494 L HN 0.063 nan 8.230 nan 0.000 0.410 495 D N 0.806 121.210 120.400 0.007 0.000 2.342 495 D HA 0.496 5.136 4.640 -0.000 0.000 0.243 495 D C -2.673 173.637 176.300 0.016 0.000 1.019 495 D CA -1.264 52.743 54.000 0.012 0.000 0.864 495 D CB 2.241 43.050 40.800 0.015 0.000 1.315 495 D HN 0.391 nan 8.370 nan 0.000 0.468 496 P HA 0.045 nan 4.420 nan 0.000 0.265 496 P C 0.838 178.151 177.300 0.022 0.000 1.193 496 P CA 0.045 63.157 63.100 0.021 0.000 0.765 496 P CB 0.574 32.289 31.700 0.025 0.000 0.823 497 T N 2.089 116.655 114.554 0.020 0.000 2.759 497 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 497 T C 1.630 176.344 174.700 0.024 0.000 1.042 497 T CA 1.386 63.498 62.100 0.020 0.000 1.140 497 T CB -0.341 68.537 68.868 0.017 0.000 0.864 497 T HN 0.484 nan 8.240 nan 0.000 0.455 498 K N 0.813 121.229 120.400 0.026 0.000 2.074 498 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 498 K C 2.419 179.047 176.600 0.048 0.000 1.048 498 K CA 1.684 57.992 56.287 0.034 0.000 0.926 498 K CB -0.395 32.126 32.500 0.035 0.000 0.713 498 K HN 0.367 nan 8.250 nan 0.000 0.444 499 V N -1.013 118.928 119.914 0.045 0.000 2.453 499 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 499 V C 1.740 177.865 176.094 0.051 0.000 1.048 499 V CA 2.246 64.577 62.300 0.052 0.000 1.049 499 V CB -0.711 31.138 31.823 0.042 0.000 0.672 499 V HN 0.288 nan 8.190 nan 0.000 0.457 500 T N 0.450 115.027 114.554 0.039 0.000 2.737 500 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 500 T C 1.989 176.710 174.700 0.035 0.000 1.038 500 T CA 2.037 64.158 62.100 0.034 0.000 1.144 500 T CB -0.382 68.501 68.868 0.026 0.000 0.866 500 T HN 0.588 nan 8.240 nan 0.000 0.434 501 R N 0.922 121.440 120.500 0.030 0.000 2.080 501 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 501 R C 2.604 178.917 176.300 0.022 0.000 1.137 501 R CA 1.823 57.933 56.100 0.017 0.000 0.943 501 R CB -0.429 29.876 30.300 0.009 0.000 0.846 501 R HN 0.234 nan 8.270 nan 0.000 0.431 502 S N 0.454 116.190 115.700 0.060 0.000 2.356 502 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 502 S C 2.003 176.728 174.600 0.208 0.000 1.032 502 S CA 1.199 59.481 58.200 0.137 0.000 1.005 502 S CB -0.288 63.045 63.200 0.221 0.000 0.867 502 S HN 0.584 nan 8.310 nan 0.000 0.449 503 A N 1.324 124.230 122.820 0.144 0.000 1.883 503 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 503 A C 2.143 179.789 177.584 0.102 0.000 1.186 503 A CA 1.607 53.719 52.037 0.125 0.000 0.624 503 A CB -0.772 18.272 19.000 0.073 0.000 0.822 503 A HN 0.422 nan 8.150 nan 0.000 0.444 504 L N -0.364 120.895 121.223 0.059 0.000 2.027 504 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 504 L C 2.509 179.386 176.870 0.012 0.000 1.074 504 L CA 2.363 57.223 54.840 0.032 0.000 0.745 504 L CB -0.840 41.229 42.059 0.016 0.000 0.898 504 L HN 0.511 nan 8.230 nan 0.000 0.433 505 Q N -1.756 118.024 119.800 -0.034 0.000 2.050 505 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 505 Q C 2.191 178.113 176.000 -0.130 0.000 0.980 505 Q CA 2.236 57.965 55.803 -0.124 0.000 0.840 505 Q CB -0.354 28.241 28.738 -0.238 0.000 0.898 505 Q HN 0.517 nan 8.270 nan 0.000 0.424 506 Y N 0.118 120.423 120.300 0.008 0.000 2.181 506 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 506 Y C 2.388 178.293 175.900 0.008 0.000 1.146 506 Y CA 1.051 59.156 58.100 0.008 0.000 1.164 506 Y CB -0.737 37.727 38.460 0.008 0.000 0.982 506 Y HN 0.149 nan 8.280 nan 0.000 0.515 507 A N 0.116 123.030 122.820 0.156 0.000 1.883 507 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 507 A C 2.471 180.091 177.584 0.060 0.000 1.186 507 A CA 2.249 54.340 52.037 0.090 0.000 0.624 507 A CB -1.333 17.706 19.000 0.065 0.000 0.822 507 A HN 0.415 nan 8.150 nan 0.000 0.444 508 A N -0.942 121.901 122.820 0.039 0.000 1.930 508 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 508 A C 2.461 180.057 177.584 0.020 0.000 1.175 508 A CA 2.134 54.183 52.037 0.019 0.000 0.627 508 A CB -0.959 18.042 19.000 0.001 0.000 0.815 508 A HN 0.629 nan 8.150 nan 0.000 0.443 509 S N -0.726 114.988 115.700 0.023 0.000 2.351 509 S HA -0.164 4.306 4.470 -0.000 0.000 0.220 509 S C 1.985 176.612 174.600 0.046 0.000 1.035 509 S CA 1.940 60.157 58.200 0.029 0.000 1.031 509 S CB -0.653 62.570 63.200 0.039 0.000 0.928 509 S HN 0.568 nan 8.310 nan 0.000 0.433 510 V N 1.658 121.612 119.914 0.067 0.000 2.427 510 V HA 0.033 4.153 4.120 -0.000 0.000 0.248 510 V C 2.613 178.731 176.094 0.039 0.000 1.051 510 V CA 1.959 64.292 62.300 0.055 0.000 1.048 510 V CB -1.062 30.797 31.823 0.060 0.000 0.666 510 V HN 0.612 nan 8.190 nan 0.000 0.456 511 A N 0.076 122.918 122.820 0.036 0.000 1.902 511 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 511 A C 2.371 179.968 177.584 0.023 0.000 1.181 511 A CA 1.869 53.922 52.037 0.027 0.000 0.623 511 A CB -1.419 17.596 19.000 0.025 0.000 0.818 511 A HN 0.634 nan 8.150 nan 0.000 0.443 512 G N -0.168 108.645 108.800 0.021 0.000 2.418 512 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 512 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 512 G C 1.557 176.468 174.900 0.019 0.000 1.158 512 G CA 1.051 46.161 45.100 0.017 0.000 0.771 512 G HN 0.430 nan 8.290 nan 0.000 0.545 513 L N -0.356 120.880 121.223 0.022 0.000 2.083 513 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 513 L C 3.097 179.981 176.870 0.022 0.000 1.083 513 L CA 0.965 55.819 54.840 0.023 0.000 0.752 513 L CB -0.294 41.781 42.059 0.026 0.000 0.899 513 L HN 0.247 nan 8.230 nan 0.000 0.433 514 M N -0.665 118.949 119.600 0.023 0.000 2.132 514 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 514 M C 2.307 178.619 176.300 0.020 0.000 1.065 514 M CA 1.762 57.075 55.300 0.023 0.000 1.122 514 M CB -0.256 32.358 32.600 0.024 0.000 1.365 514 M HN 0.169 nan 8.290 nan 0.000 0.411 515 I N 0.084 120.665 120.570 0.019 0.000 2.335 515 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 515 I C 1.846 177.973 176.117 0.018 0.000 1.129 515 I CA 1.533 62.843 61.300 0.017 0.000 1.402 515 I CB -0.417 37.592 38.000 0.015 0.000 1.069 515 I HN 0.399 nan 8.210 nan 0.000 0.424 516 T N -3.281 111.284 114.554 0.019 0.000 3.206 516 T HA 0.148 4.498 4.350 -0.000 0.000 0.253 516 T C 0.538 175.252 174.700 0.023 0.000 1.042 516 T CA -0.290 61.822 62.100 0.020 0.000 0.931 516 T CB -0.507 68.372 68.868 0.018 0.000 1.029 516 T HN -0.026 nan 8.240 nan 0.000 0.564 517 T N 2.327 116.895 114.554 0.023 0.000 2.771 517 T HA 0.316 4.666 4.350 -0.000 0.000 0.291 517 T C 0.587 175.304 174.700 0.029 0.000 0.954 517 T CA -0.550 61.564 62.100 0.024 0.000 1.045 517 T CB 1.622 70.502 68.868 0.021 0.000 0.917 517 T HN 0.109 nan 8.240 nan 0.000 0.484 518 E N 0.466 120.689 120.200 0.038 0.000 2.485 518 E HA 0.178 4.528 4.350 -0.000 0.000 0.213 518 E C 0.033 176.670 176.600 0.060 0.000 0.923 518 E CA 0.092 56.531 56.400 0.065 0.000 1.054 518 E CB 0.805 30.559 29.700 0.091 0.000 1.077 518 E HN 0.566 nan 8.360 nan 0.000 0.509 519 C N 0.579 119.873 119.300 -0.010 0.000 2.880 519 C HA 0.683 5.143 4.460 -0.000 0.000 0.320 519 C C -1.355 173.567 174.990 -0.115 0.000 1.176 519 C CA -0.553 58.373 59.018 -0.154 0.000 1.390 519 C CB 0.627 28.282 27.740 -0.142 0.000 1.846 519 C HN 0.128 nan 8.230 nan 0.000 0.478 520 M N 4.876 124.387 119.600 -0.148 0.000 2.327 520 M HA 0.577 5.057 4.480 -0.000 0.000 0.298 520 M C -1.228 175.112 176.300 0.066 0.000 1.065 520 M CA -0.548 54.769 55.300 0.027 0.000 0.916 520 M CB 2.146 34.871 32.600 0.208 0.000 1.630 520 M HN 0.367 nan 8.290 nan 0.000 0.442 521 V N 1.230 121.157 119.914 0.023 0.000 2.487 521 V HA 0.774 4.894 4.120 -0.000 0.000 0.298 521 V C -0.295 175.746 176.094 -0.088 0.000 1.028 521 V CA -0.425 61.870 62.300 -0.009 0.000 0.860 521 V CB 1.814 33.621 31.823 -0.028 0.000 0.991 521 V HN 0.962 nan 8.190 nan 0.000 0.427 522 T N 2.219 116.674 114.554 -0.165 0.000 2.754 522 T HA 0.455 4.805 4.350 -0.000 0.000 0.296 522 T C -1.182 173.411 174.700 -0.178 0.000 1.205 522 T CA -0.485 61.461 62.100 -0.258 0.000 1.009 522 T CB 1.935 70.481 68.868 -0.536 0.000 1.368 522 T HN 0.700 nan 8.240 nan 0.000 0.509 523 D N 1.026 121.330 120.400 -0.160 0.000 2.358 523 D HA 0.439 5.079 4.640 -0.000 0.000 0.244 523 D C -0.270 175.975 176.300 -0.091 0.000 1.163 523 D CA -0.361 53.581 54.000 -0.097 0.000 0.945 523 D CB 0.363 41.117 40.800 -0.076 0.000 1.152 523 D HN 0.133 nan 8.370 nan 0.000 0.451 524 L N 1.957 123.155 121.223 -0.041 0.000 2.426 524 L HA 0.301 4.641 4.340 -0.000 0.000 0.271 524 L C -1.591 175.266 176.870 -0.021 0.000 1.169 524 L CA -1.346 53.484 54.840 -0.016 0.000 0.836 524 L CB -0.660 41.401 42.059 0.004 0.000 1.112 524 L HN 0.404 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 525 P CB 0.000 31.707 31.700 0.011 0.000 0.726