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 3e76_1_L 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.961 125.778 122.820 -0.005 0.000 2.477 3 A HA 0.575 4.895 4.320 0.001 0.000 0.246 3 A C 0.266 177.845 177.584 -0.008 0.000 1.078 3 A CA 0.313 52.349 52.037 -0.001 0.000 0.770 3 A CB 0.129 19.131 19.000 0.003 0.000 1.011 3 A HN 0.621 nan 8.150 nan 0.000 0.494 4 K N 1.425 121.824 120.400 -0.002 0.000 2.267 4 K HA 0.436 4.756 4.320 0.001 0.000 0.246 4 K C -1.421 175.187 176.600 0.012 0.000 0.954 4 K CA -0.716 55.565 56.287 -0.011 0.000 0.824 4 K CB 2.083 34.574 32.500 -0.014 0.000 1.167 4 K HN 0.757 nan 8.250 nan 0.000 0.431 5 D N 0.983 121.391 120.400 0.014 0.000 2.278 5 D HA 0.399 5.039 4.640 0.001 0.000 0.245 5 D C -1.342 175.055 176.300 0.161 0.000 1.052 5 D CA -0.608 53.451 54.000 0.098 0.000 0.834 5 D CB 1.463 42.353 40.800 0.150 0.000 1.194 5 D HN 0.071 nan 8.370 nan 0.000 0.481 6 V N 4.181 124.166 119.914 0.118 0.000 2.531 6 V HA 0.436 4.557 4.120 0.001 0.000 0.301 6 V C -0.069 175.904 176.094 -0.202 0.000 1.034 6 V CA -0.814 61.463 62.300 -0.039 0.000 0.865 6 V CB 1.786 33.514 31.823 -0.159 0.000 0.995 6 V HN 0.414 nan 8.190 nan 0.000 0.424 7 K N 3.783 123.981 120.400 -0.337 0.000 2.259 7 K HA 0.744 5.065 4.320 0.001 0.000 0.252 7 K C -1.585 174.691 176.600 -0.540 0.000 0.936 7 K CA -0.498 55.519 56.287 -0.450 0.000 0.810 7 K CB 2.347 34.432 32.500 -0.691 0.000 1.143 7 K HN 0.446 nan 8.250 nan 0.000 0.427 8 F N 0.386 120.292 119.950 -0.074 0.000 2.522 8 F HA 0.425 4.953 4.527 0.001 0.000 0.324 8 F C 1.201 176.972 175.800 -0.048 0.000 1.077 8 F CA 0.098 58.075 58.000 -0.040 0.000 0.944 8 F CB 1.787 40.773 39.000 -0.023 0.000 1.175 8 F HN 0.839 nan 8.300 nan 0.000 0.468 9 G N 2.497 111.401 108.800 0.173 0.000 2.611 9 G HA2 -0.415 3.545 3.960 0.001 0.000 0.301 9 G HA3 -0.415 3.545 3.960 0.001 0.000 0.301 9 G C 1.258 176.178 174.900 0.034 0.000 1.233 9 G CA 0.649 45.803 45.100 0.091 0.000 0.993 9 G HN 0.686 nan 8.290 nan 0.000 0.553 10 N N 0.762 119.475 118.700 0.022 0.000 2.104 10 N HA -0.143 4.598 4.740 0.001 0.000 0.190 10 N C 1.862 177.360 175.510 -0.020 0.000 1.024 10 N CA 2.015 55.066 53.050 0.002 0.000 0.853 10 N CB -0.414 38.074 38.487 0.002 0.000 1.008 10 N HN 0.595 nan 8.380 nan 0.000 0.424 11 D N 0.326 120.709 120.400 -0.029 0.000 2.149 11 D HA -0.116 4.524 4.640 0.001 0.000 0.198 11 D C 1.537 177.755 176.300 -0.137 0.000 0.990 11 D CA 1.148 55.103 54.000 -0.074 0.000 0.839 11 D CB 0.096 40.854 40.800 -0.071 0.000 0.948 11 D HN 0.341 nan 8.370 nan 0.000 0.460 12 A N 0.504 123.249 122.820 -0.125 0.000 1.930 12 A HA -0.056 4.264 4.320 0.001 0.000 0.215 12 A C 2.318 179.856 177.584 -0.077 0.000 1.176 12 A CA 0.702 52.640 52.037 -0.166 0.000 0.632 12 A CB -0.243 18.684 19.000 -0.122 0.000 0.819 12 A HN 0.132 nan 8.150 nan 0.000 0.445 13 R N -0.228 120.249 120.500 -0.037 0.000 2.073 13 R HA -0.085 4.256 4.340 0.001 0.000 0.229 13 R C 2.121 178.414 176.300 -0.011 0.000 1.120 13 R CA 1.487 57.581 56.100 -0.010 0.000 0.967 13 R CB -0.572 29.729 30.300 0.000 0.000 0.862 13 R HN 0.538 nan 8.270 nan 0.000 0.436 14 V N -0.252 119.648 119.914 -0.023 0.000 2.568 14 V HA -0.182 3.939 4.120 0.001 0.000 0.253 14 V C 1.715 177.801 176.094 -0.013 0.000 1.072 14 V CA 1.524 63.814 62.300 -0.018 0.000 1.084 14 V CB -0.410 31.399 31.823 -0.023 0.000 0.676 14 V HN 0.123 nan 8.190 nan 0.000 0.469 15 K N -0.242 120.145 120.400 -0.023 0.000 2.167 15 K HA 0.140 4.460 4.320 0.001 0.000 0.203 15 K C 2.106 178.733 176.600 0.046 0.000 1.052 15 K CA 1.485 57.777 56.287 0.009 0.000 0.956 15 K CB -0.267 32.229 32.500 -0.007 0.000 0.735 15 K HN 0.513 nan 8.250 nan 0.000 0.451 16 M N 0.327 119.950 119.600 0.039 0.000 2.123 16 M HA -0.141 4.339 4.480 0.001 0.000 0.263 16 M C 2.229 178.546 176.300 0.028 0.000 1.069 16 M CA 1.058 56.384 55.300 0.043 0.000 1.133 16 M CB -0.255 32.368 32.600 0.038 0.000 1.356 16 M HN 0.018 nan 8.290 nan 0.000 0.415 17 L N 0.517 121.751 121.223 0.019 0.000 2.012 17 L HA -0.222 4.118 4.340 0.001 0.000 0.210 17 L C 2.452 179.331 176.870 0.014 0.000 1.073 17 L CA 1.953 56.802 54.840 0.014 0.000 0.748 17 L CB -0.594 41.470 42.059 0.009 0.000 0.891 17 L HN 0.163 nan 8.230 nan 0.000 0.431 18 R N -0.378 120.131 120.500 0.014 0.000 2.105 18 R HA -0.117 4.224 4.340 0.001 0.000 0.239 18 R C 2.124 178.435 176.300 0.019 0.000 1.135 18 R CA 1.704 57.813 56.100 0.015 0.000 0.967 18 R CB -1.032 29.278 30.300 0.015 0.000 0.861 18 R HN 0.522 nan 8.270 nan 0.000 0.442 19 G N -0.350 108.466 108.800 0.026 0.000 2.394 19 G HA2 -0.182 3.778 3.960 0.001 0.000 0.214 19 G HA3 -0.182 3.778 3.960 0.001 0.000 0.214 19 G C 1.418 176.329 174.900 0.018 0.000 1.176 19 G CA 0.860 45.976 45.100 0.026 0.000 0.786 19 G HN 0.330 nan 8.290 nan 0.000 0.533 20 V N -0.366 119.559 119.914 0.018 0.000 2.427 20 V HA -0.110 4.010 4.120 0.001 0.000 0.248 20 V C 2.272 178.372 176.094 0.010 0.000 1.051 20 V CA 2.032 64.340 62.300 0.014 0.000 1.048 20 V CB -0.727 31.105 31.823 0.015 0.000 0.666 20 V HN 0.149 nan 8.190 nan 0.000 0.456 21 N N 0.979 119.685 118.700 0.010 0.000 2.223 21 N HA -0.095 4.645 4.740 0.001 0.000 0.185 21 N C 1.716 177.230 175.510 0.006 0.000 1.016 21 N CA 1.651 54.706 53.050 0.008 0.000 0.863 21 N CB -0.578 37.913 38.487 0.008 0.000 0.983 21 N HN 0.513 nan 8.380 nan 0.000 0.429 22 V N 1.037 120.956 119.914 0.007 0.000 2.270 22 V HA -0.141 3.979 4.120 0.001 0.000 0.245 22 V C 2.358 178.454 176.094 0.003 0.000 1.043 22 V CA 1.069 63.372 62.300 0.006 0.000 1.014 22 V CB -0.536 31.291 31.823 0.007 0.000 0.645 22 V HN 0.230 nan 8.190 nan 0.000 0.447 23 L N -0.016 121.209 121.223 0.003 0.000 2.046 23 L HA -0.138 4.203 4.340 0.001 0.000 0.208 23 L C 2.490 179.360 176.870 0.000 0.000 1.077 23 L CA 1.845 56.686 54.840 0.001 0.000 0.747 23 L CB -0.483 41.576 42.059 0.000 0.000 0.896 23 L HN 0.307 nan 8.230 nan 0.000 0.432 24 A N -0.438 122.383 122.820 0.002 0.000 1.855 24 A HA -0.238 4.082 4.320 0.001 0.000 0.215 24 A C 1.863 179.448 177.584 0.001 0.000 1.191 24 A CA 1.951 53.990 52.037 0.002 0.000 0.613 24 A CB -0.795 18.208 19.000 0.005 0.000 0.829 24 A HN 0.481 nan 8.150 nan 0.000 0.442 25 D N 0.031 120.432 120.400 0.002 0.000 2.218 25 D HA 0.012 4.652 4.640 0.001 0.000 0.204 25 D C 1.935 178.235 176.300 -0.001 0.000 0.976 25 D CA 1.288 55.288 54.000 0.001 0.000 0.853 25 D CB -0.240 40.560 40.800 0.001 0.000 0.939 25 D HN 0.449 nan 8.370 nan 0.000 0.481 26 A N -0.176 122.644 122.820 -0.001 0.000 2.067 26 A HA 0.029 4.349 4.320 0.001 0.000 0.217 26 A C 2.190 179.771 177.584 -0.004 0.000 1.156 26 A CA 0.571 52.606 52.037 -0.002 0.000 0.683 26 A CB 0.114 19.112 19.000 -0.003 0.000 0.808 26 A HN 0.157 nan 8.150 nan 0.000 0.455 27 V N 0.453 120.365 119.914 -0.004 0.000 2.788 27 V HA -0.106 4.015 4.120 0.001 0.000 0.241 27 V C 2.281 178.373 176.094 -0.004 0.000 1.083 27 V CA 1.518 63.815 62.300 -0.006 0.000 1.103 27 V CB -0.250 31.568 31.823 -0.008 0.000 0.800 27 V HN 0.771 nan 8.190 nan 0.000 0.476 28 K N 1.877 122.276 120.400 -0.002 0.000 2.360 28 K HA -0.113 4.208 4.320 0.001 0.000 0.201 28 K C 1.679 178.278 176.600 -0.001 0.000 1.046 28 K CA 1.814 58.101 56.287 -0.001 0.000 0.945 28 K CB -0.607 31.893 32.500 0.000 0.000 0.750 28 K HN 0.493 nan 8.250 nan 0.000 0.464 29 V N -0.519 119.394 119.914 -0.002 0.000 3.217 29 V HA -0.066 4.055 4.120 0.001 0.000 0.264 29 V C 1.823 177.916 176.094 -0.003 0.000 1.135 29 V CA 1.352 63.651 62.300 -0.002 0.000 1.142 29 V CB -0.796 31.026 31.823 -0.002 0.000 0.754 29 V HN 0.516 nan 8.190 nan 0.000 0.484 30 T N -2.239 112.313 114.554 -0.004 0.000 3.186 30 T HA 0.405 4.756 4.350 0.001 0.000 0.257 30 T C 0.149 174.846 174.700 -0.005 0.000 1.029 30 T CA -0.292 61.804 62.100 -0.005 0.000 0.916 30 T CB -0.003 68.860 68.868 -0.007 0.000 1.041 30 T HN 0.291 nan 8.240 nan 0.000 0.562 31 L N 2.309 123.530 121.223 -0.002 0.000 2.395 31 L HA 0.670 5.010 4.340 0.001 0.000 0.269 31 L C 0.883 177.753 176.870 0.001 0.000 1.133 31 L CA 1.493 56.332 54.840 -0.001 0.000 0.812 31 L CB 0.149 42.209 42.059 0.002 0.000 1.125 31 L HN 0.653 nan 8.230 nan 0.000 0.452 32 G N 4.371 113.172 108.800 0.001 0.000 2.741 32 G HA2 -0.181 3.779 3.960 0.001 0.000 0.222 32 G HA3 -0.181 3.779 3.960 0.001 0.000 0.222 32 G C -2.154 172.743 174.900 -0.004 0.000 1.364 32 G CA -0.146 44.955 45.100 0.001 0.000 0.866 32 G HN 0.647 nan 8.290 nan 0.000 0.555 33 P HA 0.223 nan 4.420 nan 0.000 0.245 33 P C 0.916 178.210 177.300 -0.010 0.000 1.199 33 P CA 0.618 63.710 63.100 -0.013 0.000 0.807 33 P CB 0.333 32.019 31.700 -0.023 0.000 1.002 34 K N 0.835 121.234 120.400 -0.002 0.000 2.520 34 K HA 0.252 4.572 4.320 0.001 0.000 0.205 34 K C 1.080 177.681 176.600 0.002 0.000 1.035 34 K CA -0.091 56.198 56.287 0.002 0.000 1.188 34 K CB -0.192 32.316 32.500 0.014 0.000 0.894 34 K HN 0.099 nan 8.250 nan 0.000 0.497 35 G N 1.192 109.992 108.800 -0.001 0.000 2.636 35 G HA2 0.111 4.071 3.960 0.001 0.000 0.246 35 G HA3 0.111 4.071 3.960 0.001 0.000 0.246 35 G C 0.071 174.970 174.900 -0.003 0.000 1.216 35 G CA -0.436 44.663 45.100 -0.002 0.000 0.854 35 G HN 0.090 nan 8.290 nan 0.000 0.572 36 R N 0.383 120.882 120.500 -0.003 0.000 2.674 36 R HA 0.316 4.656 4.340 0.001 0.000 0.266 36 R C -0.289 176.008 176.300 -0.004 0.000 1.016 36 R CA -1.031 55.068 56.100 -0.003 0.000 1.062 36 R CB 0.700 30.999 30.300 -0.002 0.000 1.142 36 R HN 0.483 nan 8.270 nan 0.000 0.517 37 N N 0.308 119.006 118.700 -0.004 0.000 2.499 37 N HA 0.203 4.944 4.740 0.001 0.000 0.281 37 N C -0.760 174.748 175.510 -0.003 0.000 1.098 37 N CA -0.197 52.850 53.050 -0.004 0.000 0.979 37 N CB 1.546 40.031 38.487 -0.003 0.000 1.121 37 N HN 0.125 nan 8.380 nan 0.000 0.466 38 V N 2.512 122.423 119.914 -0.004 0.000 2.448 38 V HA 0.299 4.419 4.120 0.001 0.000 0.295 38 V C 0.020 176.112 176.094 -0.003 0.000 1.025 38 V CA -0.814 61.484 62.300 -0.004 0.000 0.859 38 V CB 1.898 33.718 31.823 -0.005 0.000 0.988 38 V HN 0.284 nan 8.190 nan 0.000 0.431 39 V N 6.789 126.702 119.914 -0.002 0.000 2.407 39 V HA 0.464 4.584 4.120 0.001 0.000 0.278 39 V C -0.146 175.948 176.094 0.000 0.000 1.037 39 V CA -0.425 61.875 62.300 -0.000 0.000 0.900 39 V CB 1.330 33.153 31.823 0.000 0.000 0.983 39 V HN 0.614 nan 8.190 nan 0.000 0.459 40 L N 3.763 124.987 121.223 0.002 0.000 2.313 40 L HA 0.539 4.879 4.340 0.001 0.000 0.283 40 L C -0.292 176.583 176.870 0.007 0.000 1.013 40 L CA -0.562 54.280 54.840 0.003 0.000 0.816 40 L CB 1.758 43.819 42.059 0.002 0.000 1.236 40 L HN 0.532 nan 8.230 nan 0.000 0.419 41 D N 2.955 123.359 120.400 0.007 0.000 2.302 41 D HA 0.301 4.941 4.640 0.001 0.000 0.248 41 D C -0.668 175.643 176.300 0.018 0.000 1.094 41 D CA 0.123 54.129 54.000 0.009 0.000 0.897 41 D CB 0.985 41.786 40.800 0.003 0.000 1.200 41 D HN 0.338 nan 8.370 nan 0.000 0.429 42 K N 0.801 121.217 120.400 0.027 0.000 2.375 42 K HA 0.248 4.569 4.320 0.001 0.000 0.249 42 K C 0.971 177.595 176.600 0.040 0.000 0.942 42 K CA -0.623 55.694 56.287 0.050 0.000 0.806 42 K CB 1.806 34.351 32.500 0.074 0.000 1.227 42 K HN 0.440 nan 8.250 nan 0.000 0.430 43 S N 1.356 117.083 115.700 0.045 0.000 2.368 43 S HA -0.064 4.406 4.470 0.001 0.000 0.225 43 S C 0.606 175.133 174.600 -0.121 0.000 1.030 43 S CA 0.783 58.952 58.200 -0.051 0.000 0.999 43 S CB -0.285 62.866 63.200 -0.082 0.000 0.844 43 S HN 0.417 nan 8.310 nan 0.000 0.459 44 F N 3.397 123.346 119.950 -0.002 0.000 2.404 44 F HA 0.561 5.087 4.527 -0.001 0.000 0.359 44 F C 1.607 177.406 175.800 -0.002 0.000 1.134 44 F CA 0.493 58.492 58.000 -0.001 0.000 1.160 44 F CB 0.440 39.439 39.000 -0.001 0.000 1.186 44 F HN 0.550 nan 8.300 nan 0.000 0.526 45 G N 2.312 111.179 108.800 0.111 0.000 2.550 45 G HA2 -0.143 3.818 3.960 0.001 0.000 0.277 45 G HA3 -0.143 3.818 3.960 0.001 0.000 0.277 45 G C 0.006 174.936 174.900 0.049 0.000 1.190 45 G CA -0.473 44.674 45.100 0.078 0.000 0.971 45 G HN 1.037 nan 8.290 nan 0.000 0.559 46 A N 1.675 124.522 122.820 0.045 0.000 2.445 46 A HA 0.642 4.962 4.320 0.001 0.000 0.242 46 A C -1.299 176.302 177.584 0.028 0.000 1.075 46 A CA 0.289 52.343 52.037 0.029 0.000 0.777 46 A CB -0.218 18.797 19.000 0.024 0.000 1.013 46 A HN 0.714 nan 8.150 nan 0.000 0.493 47 P HA 0.333 nan 4.420 nan 0.000 0.274 47 P C -0.464 176.844 177.300 0.014 0.000 1.237 47 P CA -0.140 62.969 63.100 0.016 0.000 0.793 47 P CB 0.568 32.274 31.700 0.009 0.000 0.977 48 T N 2.096 116.658 114.554 0.012 0.000 2.744 48 T HA 0.466 4.816 4.350 0.001 0.000 0.291 48 T C 0.328 175.031 174.700 0.003 0.000 0.957 48 T CA -0.236 61.869 62.100 0.008 0.000 1.002 48 T CB -0.168 68.704 68.868 0.007 0.000 0.919 48 T HN 0.172 nan 8.240 nan 0.000 0.468 49 I N 3.022 123.593 120.570 0.002 0.000 2.312 49 I HA 0.497 4.667 4.170 0.001 0.000 0.290 49 I C 0.584 176.699 176.117 -0.003 0.000 1.008 49 I CA -0.343 60.957 61.300 -0.001 0.000 1.226 49 I CB 1.368 39.368 38.000 -0.000 0.000 1.371 49 I HN 0.507 nan 8.210 nan 0.000 0.468 50 T N 4.116 118.668 114.554 -0.005 0.000 2.843 50 T HA 0.398 4.748 4.350 0.001 0.000 0.302 50 T C 0.228 174.923 174.700 -0.008 0.000 1.232 50 T CA -0.584 61.511 62.100 -0.007 0.000 1.009 50 T CB 1.804 70.666 68.868 -0.009 0.000 1.254 50 T HN 0.651 nan 8.240 nan 0.000 0.504 51 K N 0.648 121.042 120.400 -0.010 0.000 2.373 51 K HA 0.171 4.492 4.320 0.001 0.000 0.200 51 K C -0.298 176.294 176.600 -0.014 0.000 1.054 51 K CA -0.190 56.090 56.287 -0.011 0.000 1.065 51 K CB 0.369 32.862 32.500 -0.010 0.000 0.886 51 K HN 0.490 nan 8.250 nan 0.000 0.546 52 D N 0.818 121.209 120.400 -0.016 0.000 2.368 52 D HA -0.002 4.638 4.640 0.001 0.000 0.268 52 D C 1.221 177.508 176.300 -0.022 0.000 1.298 52 D CA 0.146 54.133 54.000 -0.021 0.000 0.938 52 D CB 0.974 41.759 40.800 -0.025 0.000 1.101 52 D HN 0.235 nan 8.370 nan 0.000 0.509 53 G N 2.574 111.361 108.800 -0.022 0.000 2.479 53 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 53 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 53 G C 1.429 176.313 174.900 -0.026 0.000 1.115 53 G CA 0.815 45.902 45.100 -0.022 0.000 0.757 53 G HN 0.488 nan 8.290 nan 0.000 0.560 54 V N 0.747 120.641 119.914 -0.033 0.000 2.323 54 V HA -0.124 3.996 4.120 0.001 0.000 0.244 54 V C 2.962 179.036 176.094 -0.032 0.000 1.041 54 V CA 2.021 64.298 62.300 -0.038 0.000 1.025 54 V CB -0.703 31.092 31.823 -0.048 0.000 0.656 54 V HN 0.321 nan 8.190 nan 0.000 0.451 55 S N 0.290 115.973 115.700 -0.028 0.000 2.382 55 S HA -0.142 4.328 4.470 0.001 0.000 0.228 55 S C 2.011 176.600 174.600 -0.018 0.000 1.027 55 S CA 1.464 59.651 58.200 -0.023 0.000 0.991 55 S CB -0.193 62.995 63.200 -0.020 0.000 0.823 55 S HN 0.391 nan 8.310 nan 0.000 0.469 56 V N 1.824 121.728 119.914 -0.017 0.000 2.323 56 V HA -0.123 3.998 4.120 0.001 0.000 0.244 56 V C 2.650 178.735 176.094 -0.014 0.000 1.041 56 V CA 1.547 63.839 62.300 -0.013 0.000 1.025 56 V CB -1.226 30.590 31.823 -0.012 0.000 0.656 56 V HN 0.521 nan 8.190 nan 0.000 0.451 57 A N 0.047 122.856 122.820 -0.018 0.000 1.883 57 A HA -0.243 4.078 4.320 0.001 0.000 0.217 57 A C 2.375 179.947 177.584 -0.020 0.000 1.186 57 A CA 1.852 53.878 52.037 -0.019 0.000 0.624 57 A CB -0.578 18.407 19.000 -0.024 0.000 0.822 57 A HN 0.454 nan 8.150 nan 0.000 0.444 58 R N -0.582 119.904 120.500 -0.024 0.000 2.139 58 R HA -0.139 4.201 4.340 0.001 0.000 0.243 58 R C 1.743 178.032 176.300 -0.019 0.000 1.145 58 R CA 1.429 57.514 56.100 -0.025 0.000 0.976 58 R CB -0.237 30.046 30.300 -0.029 0.000 0.866 58 R HN 0.525 nan 8.270 nan 0.000 0.449 59 E N 0.220 120.411 120.200 -0.014 0.000 2.285 59 E HA -0.005 4.345 4.350 0.001 0.000 0.194 59 E C 0.601 177.196 176.600 -0.008 0.000 0.997 59 E CA 0.277 56.671 56.400 -0.010 0.000 0.845 59 E CB 0.140 29.837 29.700 -0.006 0.000 0.782 59 E HN 0.168 nan 8.360 nan 0.000 0.491 60 I N 1.972 122.537 120.570 -0.009 0.000 2.533 60 I HA 0.074 4.245 4.170 0.001 0.000 0.284 60 I C 0.411 176.523 176.117 -0.008 0.000 1.109 60 I CA 0.457 61.753 61.300 -0.007 0.000 1.412 60 I CB 0.072 38.068 38.000 -0.006 0.000 1.396 60 I HN -0.011 nan 8.210 nan 0.000 0.543 61 E N 6.976 127.172 120.200 -0.007 0.000 2.428 61 E HA 0.358 4.708 4.350 0.001 0.000 0.307 61 E C -1.657 174.939 176.600 -0.006 0.000 0.902 61 E CA -0.494 55.901 56.400 -0.008 0.000 0.799 61 E CB 1.339 31.033 29.700 -0.011 0.000 1.351 61 E HN 0.460 nan 8.360 nan 0.000 0.392 62 L N 3.086 124.307 121.223 -0.004 0.000 2.454 62 L HA 0.320 4.660 4.340 0.001 0.000 0.256 62 L C 1.714 178.582 176.870 -0.002 0.000 1.136 62 L CA -0.081 54.760 54.840 0.000 0.000 0.804 62 L CB 0.877 42.940 42.059 0.008 0.000 1.181 62 L HN 0.719 nan 8.230 nan 0.000 0.469 63 E N 0.447 120.649 120.200 0.003 0.000 2.021 63 E HA -0.153 4.197 4.350 0.001 0.000 0.189 63 E C 0.124 176.727 176.600 0.005 0.000 0.980 63 E CA 0.413 56.814 56.400 0.001 0.000 0.803 63 E CB 0.203 29.906 29.700 0.005 0.000 0.766 63 E HN 0.705 nan 8.360 nan 0.000 0.449 64 D N 0.731 121.144 120.400 0.023 0.000 2.412 64 D HA -0.062 4.579 4.640 0.001 0.000 0.257 64 D C 0.951 177.269 176.300 0.029 0.000 1.217 64 D CA 0.073 54.102 54.000 0.048 0.000 0.897 64 D CB 0.711 41.559 40.800 0.080 0.000 1.132 64 D HN -0.057 nan 8.370 nan 0.000 0.493 65 K N 3.274 123.657 120.400 -0.029 0.000 2.074 65 K HA -0.183 4.137 4.320 0.001 0.000 0.209 65 K C 1.637 178.125 176.600 -0.186 0.000 1.048 65 K CA 1.268 57.463 56.287 -0.154 0.000 0.926 65 K CB -0.311 32.020 32.500 -0.282 0.000 0.713 65 K HN 0.554 nan 8.250 nan 0.000 0.444 66 F N 1.499 121.436 119.950 -0.022 0.000 2.113 66 F HA -0.103 4.425 4.527 0.002 0.000 0.297 66 F C 2.412 178.201 175.800 -0.019 0.000 1.103 66 F CA 1.152 59.137 58.000 -0.026 0.000 1.248 66 F CB -0.408 38.575 39.000 -0.030 0.000 0.999 66 F HN 0.127 nan 8.300 nan 0.000 0.475 67 E N 0.002 120.304 120.200 0.171 0.000 2.085 67 E HA -0.278 4.072 4.350 0.001 0.000 0.194 67 E C 1.901 178.529 176.600 0.047 0.000 0.994 67 E CA 1.392 57.844 56.400 0.088 0.000 0.801 67 E CB -0.393 29.346 29.700 0.065 0.000 0.743 67 E HN 0.305 nan 8.360 nan 0.000 0.453 68 N N 0.792 119.506 118.700 0.023 0.000 2.104 68 N HA -0.193 4.547 4.740 0.001 0.000 0.190 68 N C 1.745 177.251 175.510 -0.006 0.000 1.024 68 N CA 1.531 54.579 53.050 -0.003 0.000 0.853 68 N CB -0.064 38.407 38.487 -0.027 0.000 1.008 68 N HN 0.083 nan 8.380 nan 0.000 0.424 69 M N -0.505 119.088 119.600 -0.011 0.000 2.065 69 M HA -0.073 4.408 4.480 0.001 0.000 0.259 69 M C 2.238 178.546 176.300 0.014 0.000 1.069 69 M CA 1.899 57.194 55.300 -0.008 0.000 1.110 69 M CB -0.857 31.736 32.600 -0.012 0.000 1.328 69 M HN 0.348 nan 8.290 nan 0.000 0.405 70 G N 0.000 108.821 108.800 0.035 0.000 2.514 70 G HA2 -0.255 3.705 3.960 0.001 0.000 0.217 70 G HA3 -0.255 3.705 3.960 0.001 0.000 0.217 70 G C 1.608 176.520 174.900 0.020 0.000 1.198 70 G CA 1.367 46.487 45.100 0.033 0.000 0.780 70 G HN 0.570 nan 8.290 nan 0.000 0.565 71 A N -0.355 122.475 122.820 0.016 0.000 1.892 71 A HA -0.131 4.189 4.320 0.001 0.000 0.218 71 A C 2.364 179.950 177.584 0.002 0.000 1.188 71 A CA 2.130 54.172 52.037 0.008 0.000 0.631 71 A CB -0.425 18.578 19.000 0.006 0.000 0.822 71 A HN 0.358 nan 8.150 nan 0.000 0.447 72 Q N -1.137 118.662 119.800 -0.001 0.000 2.369 72 Q HA -0.006 4.335 4.340 0.001 0.000 0.206 72 Q C 2.030 178.028 176.000 -0.004 0.000 0.963 72 Q CA 0.963 56.762 55.803 -0.007 0.000 0.894 72 Q CB -0.262 28.467 28.738 -0.014 0.000 0.965 72 Q HN 0.789 nan 8.270 nan 0.000 0.475 73 M N -0.246 119.356 119.600 0.004 0.000 2.123 73 M HA -0.127 4.354 4.480 0.001 0.000 0.263 73 M C 2.161 178.468 176.300 0.012 0.000 1.069 73 M CA 1.260 56.566 55.300 0.010 0.000 1.133 73 M CB -0.094 32.516 32.600 0.016 0.000 1.356 73 M HN 0.115 nan 8.290 nan 0.000 0.415 74 V N -2.258 117.663 119.914 0.012 0.000 2.809 74 V HA -0.131 3.989 4.120 0.001 0.000 0.256 74 V C 1.942 178.037 176.094 0.001 0.000 1.080 74 V CA 1.438 63.745 62.300 0.012 0.000 1.102 74 V CB -0.967 30.863 31.823 0.013 0.000 0.705 74 V HN 0.416 nan 8.190 nan 0.000 0.475 75 K N 0.088 120.485 120.400 -0.006 0.000 2.097 75 K HA -0.152 4.169 4.320 0.001 0.000 0.205 75 K C 2.261 178.845 176.600 -0.027 0.000 1.050 75 K CA 1.413 57.689 56.287 -0.017 0.000 0.938 75 K CB -0.119 32.371 32.500 -0.017 0.000 0.718 75 K HN 0.466 nan 8.250 nan 0.000 0.442 76 E N 0.433 120.622 120.200 -0.018 0.000 2.333 76 E HA -0.130 4.221 4.350 0.001 0.000 0.198 76 E C 1.739 178.318 176.600 -0.036 0.000 1.007 76 E CA 0.844 57.231 56.400 -0.022 0.000 0.845 76 E CB 0.251 29.950 29.700 -0.002 0.000 0.766 76 E HN 0.168 nan 8.360 nan 0.000 0.507 77 V N 0.298 120.197 119.914 -0.026 0.000 2.374 77 V HA -0.046 4.074 4.120 0.001 0.000 0.241 77 V C 2.483 178.505 176.094 -0.119 0.000 1.034 77 V CA 1.216 63.493 62.300 -0.038 0.000 1.037 77 V CB -1.006 30.840 31.823 0.037 0.000 0.682 77 V HN 0.168 nan 8.190 nan 0.000 0.463 78 A N 1.784 124.561 122.820 -0.072 0.000 1.903 78 A HA -0.299 4.021 4.320 0.001 0.000 0.219 78 A C 2.553 180.067 177.584 -0.117 0.000 1.191 78 A CA 3.104 55.093 52.037 -0.080 0.000 0.638 78 A CB -1.079 17.891 19.000 -0.049 0.000 0.823 78 A HN 0.731 nan 8.150 nan 0.000 0.451 79 S N -0.675 114.959 115.700 -0.110 0.000 2.402 79 S HA -0.117 4.353 4.470 0.001 0.000 0.229 79 S C 1.810 176.307 174.600 -0.172 0.000 1.021 79 S CA 1.460 59.591 58.200 -0.115 0.000 0.974 79 S CB -0.266 62.884 63.200 -0.084 0.000 0.800 79 S HN 0.617 nan 8.310 nan 0.000 0.484 80 K N 1.088 121.334 120.400 -0.258 0.000 2.186 80 K HA 0.268 4.588 4.320 0.001 0.000 0.202 80 K C 2.463 178.664 176.600 -0.664 0.000 1.052 80 K CA 0.752 56.780 56.287 -0.431 0.000 0.965 80 K CB -0.352 31.857 32.500 -0.486 0.000 0.746 80 K HN 0.470 nan 8.250 nan 0.000 0.457 81 A N 1.691 124.160 122.820 -0.585 0.000 1.933 81 A HA -0.215 4.106 4.320 0.001 0.000 0.218 81 A C 1.857 179.323 177.584 -0.198 0.000 1.175 81 A CA 1.831 53.637 52.037 -0.385 0.000 0.628 81 A CB -0.608 18.277 19.000 -0.192 0.000 0.814 81 A HN 0.288 nan 8.150 nan 0.000 0.444 82 N N 0.210 118.808 118.700 -0.170 0.000 2.223 82 N HA -0.141 4.599 4.740 0.001 0.000 0.185 82 N C 1.017 176.467 175.510 -0.100 0.000 1.016 82 N CA 1.695 54.675 53.050 -0.117 0.000 0.863 82 N CB -0.198 38.225 38.487 -0.107 0.000 0.983 82 N HN 0.409 nan 8.380 nan 0.000 0.429 83 D N -0.595 119.732 120.400 -0.123 0.000 2.183 83 D HA 0.013 4.653 4.640 0.001 0.000 0.203 83 D C 1.630 177.910 176.300 -0.033 0.000 0.969 83 D CA 0.939 54.892 54.000 -0.078 0.000 0.842 83 D CB -0.236 40.508 40.800 -0.092 0.000 0.957 83 D HN 0.411 nan 8.370 nan 0.000 0.484 84 A N 0.421 123.214 122.820 -0.046 0.000 1.898 84 A HA 0.285 4.605 4.320 0.001 0.000 0.214 84 A C 2.035 179.653 177.584 0.056 0.000 1.183 84 A CA 1.799 53.858 52.037 0.036 0.000 0.622 84 A CB 0.011 19.075 19.000 0.108 0.000 0.824 84 A HN 0.236 nan 8.150 nan 0.000 0.444 85 A N -3.633 119.211 122.820 0.040 0.000 1.933 85 A HA 0.478 4.798 4.320 0.001 0.000 0.198 85 A C 1.809 179.439 177.584 0.077 0.000 1.617 85 A CA 1.110 53.189 52.037 0.071 0.000 1.039 85 A CB -0.174 18.858 19.000 0.054 0.000 1.066 85 A HN 1.847 nan 8.150 nan 0.000 0.484 86 G N -0.662 108.127 108.800 -0.018 0.000 2.213 86 G HA2 -0.175 3.786 3.960 0.001 0.000 0.226 86 G HA3 -0.175 3.786 3.960 0.001 0.000 0.226 86 G C -0.089 174.757 174.900 -0.089 0.000 0.992 86 G CA 0.569 45.599 45.100 -0.116 0.000 0.632 86 G HN 0.810 nan 8.290 nan 0.000 0.511 87 D N -1.120 119.258 120.400 -0.037 0.000 2.423 87 D HA 0.590 5.230 4.640 0.001 0.000 0.235 87 D C 1.068 177.358 176.300 -0.017 0.000 1.011 87 D CA 0.777 54.762 54.000 -0.025 0.000 0.963 87 D CB 0.992 41.791 40.800 -0.001 0.000 1.349 87 D HN 1.351 nan 8.370 nan 0.000 0.508 88 G N 0.523 109.315 108.800 -0.013 0.000 2.160 88 G HA2 -0.291 3.669 3.960 0.001 0.000 0.244 88 G HA3 -0.291 3.669 3.960 0.001 0.000 0.244 88 G C 0.919 175.811 174.900 -0.013 0.000 1.022 88 G CA 1.145 46.242 45.100 -0.005 0.000 0.741 88 G HN 0.723 nan 8.290 nan 0.000 0.508 89 T N -3.486 111.051 114.554 -0.028 0.000 2.896 89 T HA -0.031 4.319 4.350 0.001 0.000 0.263 89 T C 2.266 176.953 174.700 -0.023 0.000 1.050 89 T CA 2.290 64.368 62.100 -0.037 0.000 1.140 89 T CB -0.383 68.455 68.868 -0.049 0.000 0.877 89 T HN 0.307 nan 8.240 nan 0.000 0.457 90 T N 2.338 116.882 114.554 -0.017 0.000 2.857 90 T HA -0.057 4.293 4.350 0.001 0.000 0.266 90 T C 2.227 176.926 174.700 -0.002 0.000 1.048 90 T CA 1.715 63.809 62.100 -0.010 0.000 1.139 90 T CB -0.837 68.025 68.868 -0.009 0.000 0.874 90 T HN 0.561 nan 8.240 nan 0.000 0.455 91 T N 2.051 116.606 114.554 0.001 0.000 2.867 91 T HA 0.063 4.413 4.350 0.001 0.000 0.268 91 T C 2.430 177.140 174.700 0.016 0.000 1.057 91 T CA 0.921 63.027 62.100 0.010 0.000 1.136 91 T CB -0.470 68.406 68.868 0.013 0.000 0.874 91 T HN 0.424 nan 8.240 nan 0.000 0.466 92 A N 1.835 124.664 122.820 0.016 0.000 1.873 92 A HA -0.096 4.224 4.320 0.001 0.000 0.215 92 A C 2.585 180.182 177.584 0.022 0.000 1.186 92 A CA 1.912 53.965 52.037 0.027 0.000 0.616 92 A CB -1.283 17.730 19.000 0.022 0.000 0.823 92 A HN 0.460 nan 8.150 nan 0.000 0.442 93 T N 0.102 114.662 114.554 0.010 0.000 2.821 93 T HA -0.100 4.251 4.350 0.001 0.000 0.267 93 T C 1.955 176.661 174.700 0.010 0.000 1.046 93 T CA 1.745 63.850 62.100 0.008 0.000 1.139 93 T CB -0.642 68.225 68.868 -0.001 0.000 0.871 93 T HN 0.600 nan 8.240 nan 0.000 0.454 94 V N -0.069 119.851 119.914 0.010 0.000 2.626 94 V HA 0.009 4.129 4.120 0.001 0.000 0.252 94 V C 2.202 178.304 176.094 0.013 0.000 1.067 94 V CA 1.242 63.548 62.300 0.010 0.000 1.081 94 V CB -1.073 30.755 31.823 0.008 0.000 0.686 94 V HN 0.384 nan 8.190 nan 0.000 0.468 95 L N 0.648 121.882 121.223 0.018 0.000 2.023 95 L HA 0.051 4.392 4.340 0.001 0.000 0.205 95 L C 3.080 179.963 176.870 0.022 0.000 1.073 95 L CA 1.612 56.465 54.840 0.021 0.000 0.745 95 L CB -0.918 41.157 42.059 0.028 0.000 0.900 95 L HN 0.377 nan 8.230 nan 0.000 0.435 96 A N -0.535 122.301 122.820 0.026 0.000 1.903 96 A HA -0.341 3.979 4.320 0.001 0.000 0.219 96 A C 2.251 179.847 177.584 0.020 0.000 1.191 96 A CA 2.249 54.302 52.037 0.027 0.000 0.638 96 A CB -0.771 18.247 19.000 0.030 0.000 0.823 96 A HN 0.529 nan 8.150 nan 0.000 0.451 97 Q N -0.779 119.030 119.800 0.016 0.000 2.061 97 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 97 Q C 2.250 178.257 176.000 0.012 0.000 0.984 97 Q CA 1.799 57.610 55.803 0.013 0.000 0.846 97 Q CB -0.346 28.398 28.738 0.010 0.000 0.902 97 Q HN 0.628 nan 8.270 nan 0.000 0.421 98 A N 0.392 123.219 122.820 0.012 0.000 1.972 98 A HA -0.133 4.187 4.320 0.001 0.000 0.219 98 A C 1.900 179.491 177.584 0.011 0.000 1.169 98 A CA 1.189 53.233 52.037 0.011 0.000 0.635 98 A CB -0.490 18.516 19.000 0.011 0.000 0.810 98 A HN 0.471 nan 8.150 nan 0.000 0.446 99 I N -0.831 119.747 120.570 0.013 0.000 2.333 99 I HA -0.146 4.024 4.170 0.001 0.000 0.246 99 I C 2.209 178.334 176.117 0.013 0.000 1.106 99 I CA 0.891 62.199 61.300 0.013 0.000 1.411 99 I CB -0.286 37.724 38.000 0.015 0.000 1.082 99 I HN 0.237 nan 8.210 nan 0.000 0.420 100 I N 0.626 121.204 120.570 0.014 0.000 2.202 100 I HA -0.238 3.932 4.170 0.001 0.000 0.242 100 I C 2.579 178.703 176.117 0.011 0.000 1.091 100 I CA 1.596 62.904 61.300 0.014 0.000 1.368 100 I CB -0.568 37.441 38.000 0.015 0.000 1.058 100 I HN 0.225 nan 8.210 nan 0.000 0.410 101 T N 0.083 114.643 114.554 0.010 0.000 2.684 101 T HA -0.160 4.190 4.350 0.001 0.000 0.267 101 T C 1.772 176.476 174.700 0.007 0.000 1.036 101 T CA 1.229 63.334 62.100 0.008 0.000 1.148 101 T CB -0.210 68.662 68.868 0.007 0.000 0.863 101 T HN 0.271 nan 8.240 nan 0.000 0.436 102 E N 0.719 120.924 120.200 0.007 0.000 2.158 102 E HA 0.050 4.401 4.350 0.001 0.000 0.191 102 E C 2.532 179.136 176.600 0.007 0.000 0.982 102 E CA 0.790 57.194 56.400 0.007 0.000 0.823 102 E CB -0.715 28.989 29.700 0.007 0.000 0.766 102 E HN 0.574 nan 8.360 nan 0.000 0.468 103 G N 1.557 110.362 108.800 0.008 0.000 2.453 103 G HA2 -0.212 3.748 3.960 0.001 0.000 0.215 103 G HA3 -0.212 3.748 3.960 0.001 0.000 0.215 103 G C 1.715 176.620 174.900 0.008 0.000 1.201 103 G CA 0.461 45.566 45.100 0.008 0.000 0.784 103 G HN 0.177 nan 8.290 nan 0.000 0.545 104 L N 0.051 121.279 121.223 0.009 0.000 2.127 104 L HA -0.087 4.254 4.340 0.001 0.000 0.211 104 L C 2.918 179.791 176.870 0.006 0.000 1.089 104 L CA 1.131 55.975 54.840 0.008 0.000 0.757 104 L CB -0.337 41.727 42.059 0.008 0.000 0.899 104 L HN 0.204 nan 8.230 nan 0.000 0.434 105 K N 0.064 120.467 120.400 0.005 0.000 2.063 105 K HA -0.196 4.124 4.320 0.001 0.000 0.208 105 K C 2.206 178.809 176.600 0.004 0.000 1.048 105 K CA 1.518 57.808 56.287 0.004 0.000 0.928 105 K CB -0.172 32.330 32.500 0.004 0.000 0.713 105 K HN 0.327 nan 8.250 nan 0.000 0.442 106 A N 0.580 123.403 122.820 0.005 0.000 1.929 106 A HA -0.083 4.238 4.320 0.001 0.000 0.216 106 A C 2.247 179.834 177.584 0.005 0.000 1.176 106 A CA 1.154 53.194 52.037 0.005 0.000 0.628 106 A CB -0.376 18.627 19.000 0.005 0.000 0.816 106 A HN 0.084 nan 8.150 nan 0.000 0.444 107 V N -0.100 119.818 119.914 0.006 0.000 2.358 107 V HA -0.203 3.918 4.120 0.001 0.000 0.246 107 V C 2.939 179.036 176.094 0.006 0.000 1.047 107 V CA 1.818 64.123 62.300 0.007 0.000 1.035 107 V CB -1.312 30.517 31.823 0.009 0.000 0.658 107 V HN 0.561 nan 8.190 nan 0.000 0.452 108 A N 0.031 122.854 122.820 0.005 0.000 2.014 108 A HA 0.088 4.409 4.320 0.001 0.000 0.218 108 A C 2.338 179.923 177.584 0.002 0.000 1.163 108 A CA 1.552 53.591 52.037 0.003 0.000 0.652 108 A CB -0.540 18.462 19.000 0.002 0.000 0.808 108 A HN 0.558 nan 8.150 nan 0.000 0.449 109 A N -1.394 121.428 122.820 0.003 0.000 2.066 109 A HA 0.377 4.698 4.320 0.001 0.000 0.218 109 A C 1.619 179.204 177.584 0.002 0.000 1.157 109 A CA 1.431 53.469 52.037 0.002 0.000 0.670 109 A CB -0.657 18.344 19.000 0.002 0.000 0.804 109 A HN 1.869 nan 8.150 nan 0.000 0.453 110 G N -1.582 107.220 108.800 0.003 0.000 2.468 110 G HA2 -0.068 3.893 3.960 0.001 0.000 0.143 110 G HA3 -0.068 3.893 3.960 0.001 0.000 0.143 110 G C -0.270 174.632 174.900 0.003 0.000 1.065 110 G CA -0.025 45.076 45.100 0.002 0.000 0.776 110 G HN 0.284 nan 8.290 nan 0.000 0.486 111 M N -0.057 119.546 119.600 0.004 0.000 2.598 111 M HA 0.350 4.830 4.480 0.001 0.000 0.317 111 M C 0.425 176.728 176.300 0.005 0.000 1.179 111 M CA -0.762 54.540 55.300 0.004 0.000 0.936 111 M CB 1.779 34.382 32.600 0.004 0.000 1.713 111 M HN 0.221 nan 8.290 nan 0.000 0.460 112 N N 2.010 120.713 118.700 0.005 0.000 2.438 112 N HA 0.091 4.831 4.740 0.001 0.000 0.267 112 N C -1.985 173.530 175.510 0.007 0.000 1.222 112 N CA -1.295 51.759 53.050 0.006 0.000 0.930 112 N CB 0.950 39.440 38.487 0.005 0.000 1.083 112 N HN 0.276 nan 8.380 nan 0.000 0.476 113 P HA -0.182 nan 4.420 nan 0.000 0.215 113 P C 1.390 178.695 177.300 0.009 0.000 1.153 113 P CA 1.062 64.168 63.100 0.010 0.000 0.853 113 P CB 0.199 31.908 31.700 0.014 0.000 0.788 114 M N -0.664 118.941 119.600 0.009 0.000 2.213 114 M HA -0.129 4.351 4.480 0.001 0.000 0.263 114 M C 1.126 177.429 176.300 0.005 0.000 1.062 114 M CA 1.679 56.983 55.300 0.007 0.000 1.105 114 M CB -1.360 31.244 32.600 0.007 0.000 1.385 114 M HN -0.051 nan 8.290 nan 0.000 0.417 115 D N -0.073 120.330 120.400 0.005 0.000 2.234 115 D HA 0.001 4.641 4.640 0.001 0.000 0.205 115 D C 2.176 178.478 176.300 0.004 0.000 0.962 115 D CA 0.743 54.745 54.000 0.004 0.000 0.855 115 D CB -0.019 40.783 40.800 0.003 0.000 0.951 115 D HN 0.319 nan 8.370 nan 0.000 0.500 116 L N 0.608 121.834 121.223 0.005 0.000 2.109 116 L HA -0.095 4.245 4.340 0.001 0.000 0.207 116 L C 2.461 179.334 176.870 0.005 0.000 1.086 116 L CA 0.904 55.748 54.840 0.005 0.000 0.760 116 L CB -0.179 41.884 42.059 0.006 0.000 0.910 116 L HN -0.049 nan 8.230 nan 0.000 0.437 117 K N 0.549 120.952 120.400 0.005 0.000 2.002 117 K HA -0.183 4.137 4.320 0.001 0.000 0.209 117 K C 2.276 178.877 176.600 0.001 0.000 1.048 117 K CA 1.360 57.649 56.287 0.004 0.000 0.930 117 K CB 0.018 32.521 32.500 0.004 0.000 0.714 117 K HN 0.179 nan 8.250 nan 0.000 0.438 118 R N -0.374 120.127 120.500 0.001 0.000 2.120 118 R HA -0.091 4.249 4.340 0.001 0.000 0.234 118 R C 2.425 178.725 176.300 -0.001 0.000 1.123 118 R CA 1.236 57.335 56.100 -0.001 0.000 0.975 118 R CB -0.417 29.883 30.300 -0.000 0.000 0.866 118 R HN 0.387 nan 8.270 nan 0.000 0.446 119 G N 1.086 109.887 108.800 0.001 0.000 2.402 119 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 119 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 119 G C 1.426 176.327 174.900 0.001 0.000 1.162 119 G CA 0.534 45.635 45.100 0.001 0.000 0.777 119 G HN 0.148 nan 8.290 nan 0.000 0.539 120 I N 0.881 121.451 120.570 0.001 0.000 2.142 120 I HA -0.124 4.047 4.170 0.001 0.000 0.240 120 I C 2.304 178.419 176.117 -0.002 0.000 1.078 120 I CA 1.245 62.545 61.300 0.001 0.000 1.343 120 I CB -0.162 37.839 38.000 0.003 0.000 1.046 120 I HN 0.029 nan 8.210 nan 0.000 0.405 121 D N 0.705 121.102 120.400 -0.005 0.000 2.144 121 D HA -0.200 4.440 4.640 0.001 0.000 0.199 121 D C 2.086 178.380 176.300 -0.009 0.000 0.984 121 D CA 1.142 55.136 54.000 -0.010 0.000 0.834 121 D CB -0.150 40.642 40.800 -0.013 0.000 0.955 121 D HN 0.283 nan 8.370 nan 0.000 0.465 122 K N 0.533 120.930 120.400 -0.006 0.000 2.103 122 K HA -0.028 4.293 4.320 0.001 0.000 0.204 122 K C 1.988 178.586 176.600 -0.003 0.000 1.052 122 K CA 0.946 57.230 56.287 -0.004 0.000 0.945 122 K CB 0.064 32.563 32.500 -0.002 0.000 0.722 122 K HN -0.020 nan 8.250 nan 0.000 0.443 123 A N 0.578 123.398 122.820 -0.001 0.000 1.972 123 A HA -0.091 4.229 4.320 0.001 0.000 0.219 123 A C 2.155 179.739 177.584 0.000 0.000 1.169 123 A CA 1.340 53.378 52.037 0.001 0.000 0.635 123 A CB -0.412 18.590 19.000 0.003 0.000 0.810 123 A HN 0.162 nan 8.150 nan 0.000 0.446 124 V N -0.419 119.494 119.914 -0.003 0.000 2.323 124 V HA -0.181 3.939 4.120 0.001 0.000 0.244 124 V C 2.721 178.810 176.094 -0.008 0.000 1.041 124 V CA 2.368 64.665 62.300 -0.005 0.000 1.025 124 V CB -1.152 30.665 31.823 -0.011 0.000 0.656 124 V HN 0.597 nan 8.190 nan 0.000 0.451 125 T N 0.611 115.158 114.554 -0.011 0.000 2.803 125 T HA -0.167 4.183 4.350 0.001 0.000 0.269 125 T C 1.954 176.651 174.700 -0.005 0.000 1.052 125 T CA 1.564 63.657 62.100 -0.011 0.000 1.136 125 T CB -0.368 68.492 68.868 -0.012 0.000 0.864 125 T HN 0.550 nan 8.240 nan 0.000 0.467 126 A N 1.055 123.874 122.820 -0.002 0.000 1.970 126 A HA 0.399 4.719 4.320 0.001 0.000 0.216 126 A C 2.584 180.170 177.584 0.003 0.000 1.170 126 A CA 1.338 53.376 52.037 0.001 0.000 0.645 126 A CB -0.795 18.206 19.000 0.002 0.000 0.816 126 A HN 0.493 nan 8.150 nan 0.000 0.447 127 A N -0.504 122.318 122.820 0.003 0.000 1.929 127 A HA 0.082 4.403 4.320 0.001 0.000 0.216 127 A C 2.140 179.728 177.584 0.007 0.000 1.176 127 A CA 1.522 53.563 52.037 0.007 0.000 0.628 127 A CB -0.738 18.267 19.000 0.008 0.000 0.816 127 A HN 0.324 nan 8.150 nan 0.000 0.444 128 V N -0.017 119.899 119.914 0.003 0.000 2.407 128 V HA -0.207 3.914 4.120 0.001 0.000 0.248 128 V C 2.567 178.664 176.094 0.005 0.000 1.055 128 V CA 2.325 64.627 62.300 0.003 0.000 1.049 128 V CB -0.618 31.203 31.823 -0.004 0.000 0.662 128 V HN 0.600 nan 8.190 nan 0.000 0.455 129 E N 0.324 120.526 120.200 0.003 0.000 2.106 129 E HA -0.205 4.145 4.350 0.001 0.000 0.192 129 E C 2.123 178.728 176.600 0.007 0.000 0.984 129 E CA 1.244 57.647 56.400 0.004 0.000 0.806 129 E CB -0.167 29.535 29.700 0.003 0.000 0.750 129 E HN 0.604 nan 8.360 nan 0.000 0.458 130 E N -0.649 119.556 120.200 0.008 0.000 2.152 130 E HA -0.080 4.271 4.350 0.001 0.000 0.192 130 E C 1.747 178.355 176.600 0.013 0.000 0.983 130 E CA 0.431 56.837 56.400 0.011 0.000 0.818 130 E CB -0.195 29.512 29.700 0.012 0.000 0.758 130 E HN 0.212 nan 8.360 nan 0.000 0.467 131 L N 0.703 121.934 121.223 0.013 0.000 2.093 131 L HA -0.068 4.272 4.340 0.001 0.000 0.208 131 L C 1.829 178.708 176.870 0.015 0.000 1.085 131 L CA 1.633 56.483 54.840 0.016 0.000 0.755 131 L CB -0.157 41.912 42.059 0.016 0.000 0.904 131 L HN -0.002 nan 8.230 nan 0.000 0.435 132 K N -0.992 119.416 120.400 0.013 0.000 2.147 132 K HA -0.104 4.216 4.320 0.001 0.000 0.205 132 K C 1.996 178.604 176.600 0.012 0.000 1.049 132 K CA 1.170 57.464 56.287 0.012 0.000 0.936 132 K CB -0.249 32.256 32.500 0.010 0.000 0.722 132 K HN 0.404 nan 8.250 nan 0.000 0.446 133 A N 0.983 123.810 122.820 0.012 0.000 1.970 133 A HA -0.038 4.283 4.320 0.001 0.000 0.216 133 A C 1.927 179.520 177.584 0.015 0.000 1.170 133 A CA 0.782 52.827 52.037 0.012 0.000 0.645 133 A CB -0.253 18.754 19.000 0.012 0.000 0.816 133 A HN 0.209 nan 8.150 nan 0.000 0.447 134 L N -0.447 120.786 121.223 0.017 0.000 2.492 134 L HA 0.067 4.407 4.340 0.001 0.000 0.223 134 L C 1.098 177.980 176.870 0.019 0.000 1.132 134 L CA 0.082 54.934 54.840 0.020 0.000 0.850 134 L CB 0.013 42.085 42.059 0.022 0.000 0.966 134 L HN 0.352 nan 8.230 nan 0.000 0.454 135 S N -0.310 115.401 115.700 0.017 0.000 2.549 135 S HA 0.176 4.646 4.470 0.001 0.000 0.279 135 S C -0.193 174.417 174.600 0.015 0.000 1.321 135 S CA -0.482 57.728 58.200 0.016 0.000 1.054 135 S CB 0.880 64.089 63.200 0.015 0.000 0.899 135 S HN 0.005 nan 8.310 nan 0.000 0.497 136 V N 8.614 128.537 119.914 0.015 0.000 2.311 136 V HA 0.352 4.472 4.120 0.001 0.000 0.275 136 V C -2.094 174.007 176.094 0.012 0.000 1.022 136 V CA -1.786 60.522 62.300 0.014 0.000 0.830 136 V CB 0.820 32.651 31.823 0.015 0.000 1.012 136 V HN 0.746 nan 8.190 nan 0.000 0.452 137 P HA 0.200 nan 4.420 nan 0.000 0.272 137 P C -0.597 176.708 177.300 0.007 0.000 1.223 137 P CA -0.364 62.741 63.100 0.009 0.000 0.784 137 P CB 0.492 32.197 31.700 0.008 0.000 0.923 138 C N 2.360 121.664 119.300 0.006 0.000 2.250 138 C HA 0.303 4.764 4.460 0.001 0.000 0.319 138 C C 1.616 176.608 174.990 0.003 0.000 1.124 138 C CA 0.265 59.286 59.018 0.005 0.000 1.527 138 C CB -0.724 27.018 27.740 0.004 0.000 2.001 138 C HN 0.590 nan 8.230 nan 0.000 0.435 139 S N 1.406 117.108 115.700 0.003 0.000 2.431 139 S HA 0.022 4.492 4.470 0.001 0.000 0.210 139 S C 0.646 175.246 174.600 0.001 0.000 1.013 139 S CA 0.280 58.481 58.200 0.002 0.000 0.920 139 S CB -0.142 63.059 63.200 0.003 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.952 122.352 120.400 0.001 0.000 2.362 140 D HA 0.064 4.705 4.640 0.001 0.000 0.242 140 D C 0.721 177.021 176.300 0.000 0.000 1.132 140 D CA 0.175 54.176 54.000 0.001 0.000 0.907 140 D CB 0.829 41.630 40.800 0.001 0.000 1.195 140 D HN 0.276 nan 8.370 nan 0.000 0.429 141 S N 0.136 115.835 115.700 -0.001 0.000 2.603 141 S HA -0.117 4.353 4.470 0.001 0.000 0.229 141 S C 1.375 175.975 174.600 -0.001 0.000 0.972 141 S CA 0.311 58.510 58.200 -0.001 0.000 0.935 141 S CB -0.184 63.015 63.200 -0.002 0.000 0.769 141 S HN 0.585 nan 8.310 nan 0.000 0.536 142 K N 1.032 121.432 120.400 0.000 0.000 2.166 142 K HA 0.299 4.620 4.320 0.001 0.000 0.201 142 K C 2.132 178.733 176.600 0.001 0.000 1.052 142 K CA 0.750 57.037 56.287 0.001 0.000 0.969 142 K CB -0.322 32.179 32.500 0.001 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.712 123.534 122.820 0.002 0.000 2.072 143 A HA 0.044 4.364 4.320 0.001 0.000 0.216 143 A C 1.838 179.423 177.584 0.002 0.000 1.156 143 A CA 0.580 52.619 52.037 0.003 0.000 0.701 143 A CB -0.318 18.685 19.000 0.004 0.000 0.816 143 A HN 0.251 nan 8.150 nan 0.000 0.458 144 I N -0.293 120.278 120.570 0.001 0.000 2.315 144 I HA -0.224 3.946 4.170 0.001 0.000 0.248 144 I C 2.846 178.963 176.117 0.000 0.000 1.117 144 I CA 0.951 62.251 61.300 0.000 0.000 1.404 144 I CB -0.153 37.846 38.000 -0.002 0.000 1.071 144 I HN 0.340 nan 8.210 nan 0.000 0.419 145 A N 0.036 122.856 122.820 0.000 0.000 1.969 145 A HA -0.220 4.100 4.320 0.001 0.000 0.218 145 A C 2.242 179.826 177.584 0.001 0.000 1.169 145 A CA 1.292 53.329 52.037 0.000 0.000 0.635 145 A CB -0.458 18.541 19.000 -0.000 0.000 0.810 145 A HN 0.446 nan 8.150 nan 0.000 0.445 146 Q N -0.498 119.303 119.800 0.001 0.000 2.124 146 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 146 Q C 2.083 178.084 176.000 0.002 0.000 0.977 146 Q CA 1.615 57.419 55.803 0.001 0.000 0.850 146 Q CB -0.254 28.485 28.738 0.002 0.000 0.901 146 Q HN 0.537 nan 8.270 nan 0.000 0.429 147 V N -0.074 119.842 119.914 0.003 0.000 2.379 147 V HA -0.127 3.993 4.120 0.001 0.000 0.245 147 V C 2.171 178.268 176.094 0.005 0.000 1.044 147 V CA 1.849 64.152 62.300 0.005 0.000 1.036 147 V CB -0.924 30.903 31.823 0.006 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.459 108.344 108.800 0.004 0.000 2.471 148 G HA2 -0.162 3.798 3.960 0.001 0.000 0.219 148 G HA3 -0.162 3.798 3.960 0.001 0.000 0.219 148 G C 1.616 176.518 174.900 0.004 0.000 1.125 148 G CA 1.364 46.467 45.100 0.005 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.299 115.854 114.554 0.002 0.000 2.770 149 T HA 0.020 4.371 4.350 0.001 0.000 0.258 149 T C 2.359 177.059 174.700 -0.001 0.000 1.039 149 T CA 0.780 62.880 62.100 0.000 0.000 1.143 149 T CB -0.105 68.762 68.868 -0.001 0.000 0.866 149 T HN 0.266 nan 8.240 nan 0.000 0.428 150 I N 1.315 121.885 120.570 -0.001 0.000 2.546 150 I HA -0.046 4.124 4.170 0.001 0.000 0.255 150 I C 2.351 178.466 176.117 -0.003 0.000 1.163 150 I CA 0.637 61.935 61.300 -0.004 0.000 1.457 150 I CB -0.297 37.700 38.000 -0.005 0.000 1.092 150 I HN 0.124 nan 8.210 nan 0.000 0.434 151 S N 0.854 116.554 115.700 0.001 0.000 2.453 151 S HA 0.088 4.558 4.470 0.001 0.000 0.231 151 S C 1.666 176.268 174.600 0.003 0.000 1.005 151 S CA 0.922 59.124 58.200 0.004 0.000 0.949 151 S CB -0.036 63.171 63.200 0.011 0.000 0.774 151 S HN 0.500 nan 8.310 nan 0.000 0.510 152 A N 1.476 124.297 122.820 0.002 0.000 2.708 152 A HA 0.466 4.787 4.320 0.001 0.000 0.293 152 A C 0.432 178.015 177.584 -0.002 0.000 1.303 152 A CA -0.518 51.519 52.037 0.001 0.000 0.949 152 A CB -0.558 18.444 19.000 0.003 0.000 1.121 152 A HN 0.310 nan 8.150 nan 0.000 0.542 153 N N 0.205 118.902 118.700 -0.005 0.000 2.681 153 N HA -0.203 4.537 4.740 0.001 0.000 0.259 153 N C 0.194 175.700 175.510 -0.007 0.000 1.066 153 N CA 1.031 54.076 53.050 -0.007 0.000 0.717 153 N CB -1.877 36.605 38.487 -0.008 0.000 0.885 153 N HN 0.549 nan 8.380 nan 0.000 0.547 154 S N -1.104 114.592 115.700 -0.007 0.000 3.533 154 S HA -0.237 4.233 4.470 0.001 0.000 0.347 154 S C -0.338 174.259 174.600 -0.005 0.000 1.101 154 S CA 0.972 59.168 58.200 -0.007 0.000 1.009 154 S CB -0.809 62.386 63.200 -0.009 0.000 0.916 154 S HN 0.725 nan 8.310 nan 0.000 0.496 155 D N 0.855 121.252 120.400 -0.004 0.000 2.359 155 D HA 0.268 4.908 4.640 0.001 0.000 0.230 155 D C 0.983 177.281 176.300 -0.002 0.000 1.118 155 D CA -0.350 53.648 54.000 -0.003 0.000 0.844 155 D CB 0.775 41.574 40.800 -0.002 0.000 1.059 155 D HN 0.416 nan 8.370 nan 0.000 0.493 156 E N 1.159 121.358 120.200 -0.002 0.000 2.285 156 E HA -0.060 4.290 4.350 0.001 0.000 0.194 156 E C 1.322 177.921 176.600 -0.001 0.000 0.997 156 E CA 0.687 57.086 56.400 -0.002 0.000 0.845 156 E CB 0.428 30.127 29.700 -0.002 0.000 0.782 156 E HN 0.474 nan 8.360 nan 0.000 0.491 157 T N 0.581 115.135 114.554 -0.001 0.000 2.867 157 T HA -0.092 4.259 4.350 0.001 0.000 0.268 157 T C 2.112 176.812 174.700 -0.001 0.000 1.057 157 T CA 0.728 62.827 62.100 -0.001 0.000 1.136 157 T CB -0.064 68.803 68.868 -0.001 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.666 121.580 119.914 -0.000 0.000 2.270 158 V HA -0.030 4.090 4.120 0.001 0.000 0.245 158 V C 2.952 179.047 176.094 0.001 0.000 1.043 158 V CA 1.942 64.243 62.300 0.001 0.000 1.014 158 V CB -1.407 30.417 31.823 0.002 0.000 0.645 158 V HN 0.564 nan 8.190 nan 0.000 0.447 159 G N -0.609 108.191 108.800 0.000 0.000 2.448 159 G HA2 -0.275 3.685 3.960 0.001 0.000 0.219 159 G HA3 -0.275 3.685 3.960 0.001 0.000 0.219 159 G C 1.643 176.543 174.900 -0.001 0.000 1.127 159 G CA 0.942 46.042 45.100 0.000 0.000 0.766 159 G HN 0.482 nan 8.290 nan 0.000 0.552 160 K N -0.178 120.221 120.400 -0.001 0.000 2.097 160 K HA 0.123 4.443 4.320 0.001 0.000 0.205 160 K C 2.420 179.019 176.600 -0.002 0.000 1.050 160 K CA 0.514 56.800 56.287 -0.002 0.000 0.938 160 K CB -0.183 32.316 32.500 -0.002 0.000 0.718 160 K HN 0.325 nan 8.250 nan 0.000 0.442 161 L N 0.739 121.961 121.223 -0.002 0.000 2.056 161 L HA -0.146 4.194 4.340 0.001 0.000 0.207 161 L C 2.258 179.125 176.870 -0.004 0.000 1.078 161 L CA 0.946 55.784 54.840 -0.003 0.000 0.749 161 L CB -0.261 41.796 42.059 -0.002 0.000 0.901 161 L HN 0.180 nan 8.230 nan 0.000 0.433 162 I N -0.201 120.367 120.570 -0.004 0.000 2.179 162 I HA -0.275 3.895 4.170 0.001 0.000 0.242 162 I C 2.790 178.903 176.117 -0.007 0.000 1.088 162 I CA 1.209 62.506 61.300 -0.006 0.000 1.357 162 I CB -0.562 37.436 38.000 -0.005 0.000 1.051 162 I HN 0.177 nan 8.210 nan 0.000 0.409 163 A N 0.343 123.160 122.820 -0.005 0.000 1.933 163 A HA -0.221 4.099 4.320 0.001 0.000 0.218 163 A C 2.252 179.833 177.584 -0.005 0.000 1.175 163 A CA 1.699 53.733 52.037 -0.005 0.000 0.628 163 A CB -0.553 18.445 19.000 -0.003 0.000 0.814 163 A HN 0.457 nan 8.150 nan 0.000 0.444 164 E N -0.569 119.628 120.200 -0.005 0.000 2.152 164 E HA -0.031 4.319 4.350 0.001 0.000 0.192 164 E C 2.264 178.860 176.600 -0.006 0.000 0.983 164 E CA 0.710 57.107 56.400 -0.005 0.000 0.818 164 E CB -0.185 29.513 29.700 -0.004 0.000 0.758 164 E HN 0.629 nan 8.360 nan 0.000 0.467 165 A N 0.911 123.727 122.820 -0.007 0.000 1.929 165 A HA -0.104 4.216 4.320 0.001 0.000 0.216 165 A C 2.075 179.653 177.584 -0.010 0.000 1.176 165 A CA 0.977 53.009 52.037 -0.009 0.000 0.628 165 A CB -0.268 18.726 19.000 -0.011 0.000 0.816 165 A HN 0.126 nan 8.150 nan 0.000 0.444 166 M N -1.054 118.540 119.600 -0.010 0.000 2.492 166 M HA -0.063 4.418 4.480 0.001 0.000 0.262 166 M C 1.219 177.514 176.300 -0.008 0.000 1.090 166 M CA 1.187 56.480 55.300 -0.011 0.000 1.110 166 M CB -0.296 32.297 32.600 -0.011 0.000 1.407 166 M HN 0.337 nan 8.290 nan 0.000 0.470 167 D N 0.373 120.769 120.400 -0.007 0.000 2.347 167 D HA -0.050 4.591 4.640 0.001 0.000 0.213 167 D C 2.003 178.300 176.300 -0.006 0.000 0.985 167 D CA 0.798 54.795 54.000 -0.006 0.000 0.879 167 D CB 0.431 41.228 40.800 -0.005 0.000 0.919 167 D HN 0.034 nan 8.370 nan 0.000 0.526 168 K N -0.457 119.939 120.400 -0.006 0.000 2.121 168 K HA 0.051 4.371 4.320 0.001 0.000 0.203 168 K C 1.908 178.504 176.600 -0.007 0.000 1.041 168 K CA 0.881 57.164 56.287 -0.006 0.000 0.969 168 K CB 0.042 32.538 32.500 -0.006 0.000 0.799 168 K HN 0.161 nan 8.250 nan 0.000 0.456 169 V N -2.503 117.406 119.914 -0.008 0.000 3.471 169 V HA 0.353 4.474 4.120 0.001 0.000 0.258 169 V C 0.838 176.927 176.094 -0.009 0.000 1.192 169 V CA 0.438 62.733 62.300 -0.008 0.000 1.116 169 V CB -0.278 31.539 31.823 -0.010 0.000 0.792 169 V HN 0.389 nan 8.190 nan 0.000 0.459 170 G N 0.937 109.732 108.800 -0.009 0.000 2.566 170 G HA2 -0.159 3.801 3.960 0.001 0.000 0.599 170 G HA3 -0.159 3.801 3.960 0.001 0.000 0.599 170 G C 0.005 174.898 174.900 -0.011 0.000 1.292 170 G CA 0.004 45.099 45.100 -0.009 0.000 0.922 170 G HN 0.268 nan 8.290 nan 0.000 0.514 171 K N 0.016 120.410 120.400 -0.010 0.000 2.228 171 K HA 0.058 4.378 4.320 0.001 0.000 0.202 171 K C 1.818 178.409 176.600 -0.014 0.000 1.051 171 K CA 1.412 57.692 56.287 -0.012 0.000 0.960 171 K CB 0.077 32.572 32.500 -0.008 0.000 0.743 171 K HN 0.465 nan 8.250 nan 0.000 0.458 172 E N 0.634 120.827 120.200 -0.012 0.000 2.447 172 E HA 0.026 4.376 4.350 0.001 0.000 0.195 172 E C 1.002 177.593 176.600 -0.014 0.000 1.028 172 E CA 0.066 56.459 56.400 -0.012 0.000 0.876 172 E CB 0.241 29.936 29.700 -0.009 0.000 0.885 172 E HN 0.234 nan 8.360 nan 0.000 0.500 173 G N 1.307 110.098 108.800 -0.014 0.000 2.664 173 G HA2 0.214 4.175 3.960 0.001 0.000 0.242 173 G HA3 0.214 4.175 3.960 0.001 0.000 0.242 173 G C 0.085 174.972 174.900 -0.021 0.000 1.225 173 G CA -0.432 44.660 45.100 -0.014 0.000 0.849 173 G HN -0.045 nan 8.290 nan 0.000 0.581 174 V N 1.166 121.069 119.914 -0.018 0.000 2.383 174 V HA 0.389 4.510 4.120 0.001 0.000 0.275 174 V C 0.144 176.223 176.094 -0.026 0.000 1.036 174 V CA -0.215 62.070 62.300 -0.025 0.000 0.889 174 V CB 0.834 32.645 31.823 -0.020 0.000 0.985 174 V HN 0.482 nan 8.190 nan 0.000 0.459 175 I N 4.228 124.777 120.570 -0.036 0.000 2.436 175 I HA 0.600 4.771 4.170 0.001 0.000 0.289 175 I C -0.057 176.041 176.117 -0.032 0.000 1.010 175 I CA -0.104 61.178 61.300 -0.031 0.000 1.098 175 I CB 2.248 40.228 38.000 -0.033 0.000 1.266 175 I HN 0.561 nan 8.210 nan 0.000 0.434 176 T N 4.569 119.110 114.554 -0.021 0.000 2.900 176 T HA 0.592 4.943 4.350 0.001 0.000 0.295 176 T C -0.602 174.093 174.700 -0.008 0.000 1.044 176 T CA -0.652 61.439 62.100 -0.016 0.000 0.995 176 T CB 2.509 71.369 68.868 -0.015 0.000 1.072 176 T HN 0.160 nan 8.240 nan 0.000 0.473 177 V N 2.898 122.812 119.914 -0.001 0.000 2.459 177 V HA 0.602 4.723 4.120 0.001 0.000 0.295 177 V C -0.161 175.935 176.094 0.002 0.000 1.029 177 V CA -0.626 61.675 62.300 0.002 0.000 0.874 177 V CB 1.524 33.352 31.823 0.008 0.000 0.985 177 V HN 1.031 nan 8.190 nan 0.000 0.438 178 E N 2.531 122.731 120.200 -0.000 0.000 2.445 178 E HA 0.499 4.849 4.350 0.001 0.000 0.273 178 E C -1.506 175.093 176.600 -0.002 0.000 0.961 178 E CA -1.125 55.274 56.400 -0.001 0.000 0.807 178 E CB 1.461 31.159 29.700 -0.004 0.000 1.362 178 E HN 0.448 nan 8.360 nan 0.000 0.453 179 D N 0.576 120.975 120.400 -0.003 0.000 2.443 179 D HA 0.154 4.795 4.640 0.001 0.000 0.239 179 D C 0.170 176.467 176.300 -0.004 0.000 1.136 179 D CA 0.523 54.521 54.000 -0.003 0.000 0.879 179 D CB 1.077 41.874 40.800 -0.004 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.161 108.637 108.800 -0.004 0.000 2.537 180 G HA2 0.272 4.233 3.960 0.001 0.000 0.273 180 G HA3 0.272 4.233 3.960 0.001 0.000 0.273 180 G C 1.069 175.966 174.900 -0.005 0.000 1.189 180 G CA -0.229 44.869 45.100 -0.004 0.000 0.881 180 G HN 0.455 nan 8.290 nan 0.000 0.535 181 T N -2.237 112.314 114.554 -0.005 0.000 3.031 181 T HA 0.411 4.761 4.350 0.001 0.000 0.254 181 T C 1.274 175.972 174.700 -0.004 0.000 1.060 181 T CA 1.126 63.223 62.100 -0.005 0.000 1.135 181 T CB 0.248 69.113 68.868 -0.005 0.000 0.896 181 T HN 0.996 nan 8.240 nan 0.000 0.472 182 G N 0.833 109.631 108.800 -0.004 0.000 3.319 182 G HA2 0.457 4.418 3.960 0.001 0.000 0.158 182 G HA3 0.457 4.418 3.960 0.001 0.000 0.158 182 G C -0.218 174.680 174.900 -0.003 0.000 1.205 182 G CA -0.014 45.084 45.100 -0.003 0.000 1.252 182 G HN 0.256 nan 8.290 nan 0.000 0.668 183 L N -0.063 121.159 121.223 -0.003 0.000 2.664 183 L HA 0.550 4.891 4.340 0.001 0.000 0.233 183 L C 0.564 177.432 176.870 -0.003 0.000 1.113 183 L CA 0.535 55.373 54.840 -0.003 0.000 0.896 183 L CB 0.185 42.242 42.059 -0.002 0.000 1.163 183 L HN 0.407 nan 8.230 nan 0.000 0.497 184 Q N 0.089 119.887 119.800 -0.003 0.000 2.377 184 Q HA 0.286 4.626 4.340 0.001 0.000 0.271 184 Q C -1.174 174.824 176.000 -0.003 0.000 1.077 184 Q CA -0.882 54.920 55.803 -0.003 0.000 0.820 184 Q CB 1.783 30.519 28.738 -0.003 0.000 1.347 184 Q HN 0.083 nan 8.270 nan 0.000 0.444 185 D N 2.683 123.082 120.400 -0.003 0.000 2.371 185 D HA 0.060 4.700 4.640 0.001 0.000 0.256 185 D C -0.438 175.860 176.300 -0.003 0.000 1.193 185 D CA 0.589 54.588 54.000 -0.003 0.000 0.881 185 D CB 0.836 41.634 40.800 -0.002 0.000 1.143 185 D HN 0.333 nan 8.370 nan 0.000 0.473 186 E N 0.869 121.067 120.200 -0.004 0.000 2.212 186 E HA 0.563 4.914 4.350 0.001 0.000 0.270 186 E C -0.726 175.871 176.600 -0.004 0.000 0.956 186 E CA -1.031 55.367 56.400 -0.004 0.000 0.825 186 E CB 2.301 31.998 29.700 -0.005 0.000 1.167 186 E HN 0.109 nan 8.360 nan 0.000 0.400 187 L N 2.706 123.926 121.223 -0.005 0.000 2.555 187 L HA 0.357 4.697 4.340 0.001 0.000 0.264 187 L C -1.909 174.958 176.870 -0.005 0.000 0.972 187 L CA -0.272 54.565 54.840 -0.005 0.000 0.876 187 L CB 1.306 43.362 42.059 -0.005 0.000 1.216 187 L HN 0.385 nan 8.230 nan 0.000 0.415 188 D N 3.589 123.986 120.400 -0.006 0.000 2.433 188 D HA 0.556 5.196 4.640 0.001 0.000 0.236 188 D C -0.881 175.415 176.300 -0.006 0.000 1.026 188 D CA -0.290 53.707 54.000 -0.006 0.000 0.884 188 D CB 2.961 43.757 40.800 -0.006 0.000 1.384 188 D HN 0.200 nan 8.370 nan 0.000 0.477 189 V N 1.491 121.402 119.914 -0.006 0.000 2.313 189 V HA 0.309 4.429 4.120 0.001 0.000 0.278 189 V C 0.319 176.410 176.094 -0.005 0.000 1.017 189 V CA -0.702 61.595 62.300 -0.005 0.000 0.823 189 V CB 1.119 32.939 31.823 -0.005 0.000 1.010 189 V HN 0.419 nan 8.190 nan 0.000 0.443 190 V N 1.635 121.547 119.914 -0.005 0.000 2.850 190 V HA 0.647 4.767 4.120 0.001 0.000 0.315 190 V C 0.087 176.180 176.094 -0.002 0.000 1.064 190 V CA -0.990 61.307 62.300 -0.004 0.000 0.979 190 V CB 1.916 33.736 31.823 -0.006 0.000 1.039 190 V HN 0.676 nan 8.190 nan 0.000 0.452 191 E N 2.317 122.517 120.200 -0.001 0.000 2.238 191 E HA 0.493 4.843 4.350 0.001 0.000 0.264 191 E C 0.278 176.883 176.600 0.007 0.000 1.136 191 E CA 0.649 57.051 56.400 0.003 0.000 0.929 191 E CB 0.730 30.431 29.700 0.002 0.000 1.010 191 E HN 1.082 nan 8.360 nan 0.000 0.440 192 G N 1.699 110.505 108.800 0.011 0.000 2.721 192 G HA2 0.690 4.650 3.960 0.001 0.000 0.296 192 G HA3 0.690 4.650 3.960 0.001 0.000 0.296 192 G C -1.148 173.771 174.900 0.032 0.000 1.383 192 G CA -0.637 44.475 45.100 0.020 0.000 0.788 192 G HN 0.371 nan 8.290 nan 0.000 0.500 193 M N -0.016 119.614 119.600 0.050 0.000 2.465 193 M HA 0.492 4.972 4.480 0.001 0.000 0.284 193 M C -2.072 174.279 176.300 0.085 0.000 1.212 193 M CA -0.623 54.724 55.300 0.078 0.000 0.910 193 M CB 2.706 35.375 32.600 0.115 0.000 1.725 193 M HN 0.628 nan 8.290 nan 0.000 0.477 194 Q N 3.647 123.495 119.800 0.079 0.000 2.304 194 Q HA 0.626 4.967 4.340 0.001 0.000 0.270 194 Q C -2.107 173.947 176.000 0.091 0.000 1.035 194 Q CA -0.615 55.191 55.803 0.005 0.000 0.781 194 Q CB 1.968 30.678 28.738 -0.046 0.000 1.261 194 Q HN 0.591 nan 8.270 nan 0.000 0.444 195 F N 0.209 120.162 119.950 0.005 0.000 2.561 195 F HA 0.536 5.063 4.527 -0.000 0.000 0.321 195 F C -0.147 175.658 175.800 0.008 0.000 1.065 195 F CA -1.148 56.857 58.000 0.007 0.000 0.934 195 F CB 1.091 40.097 39.000 0.011 0.000 1.215 195 F HN 0.318 nan 8.300 nan 0.000 0.471 196 D N 2.257 122.771 120.400 0.190 0.000 2.856 196 D HA 0.136 4.776 4.640 0.001 0.000 0.242 196 D C -0.030 176.345 176.300 0.124 0.000 1.226 196 D CA 0.357 54.410 54.000 0.088 0.000 0.855 196 D CB -0.148 40.701 40.800 0.082 0.000 1.065 196 D HN 0.279 nan 8.370 nan 0.000 0.462 197 R N -0.372 120.231 120.500 0.170 0.000 2.807 197 R HA 0.730 5.070 4.340 0.001 0.000 0.276 197 R C 0.453 176.760 176.300 0.012 0.000 0.979 197 R CA -0.771 55.436 56.100 0.179 0.000 0.928 197 R CB 2.164 32.715 30.300 0.419 0.000 1.191 197 R HN 0.112 nan 8.270 nan 0.000 0.471 198 G N 0.280 109.073 108.800 -0.011 0.000 3.211 198 G HA2 0.479 4.440 3.960 0.001 0.000 0.262 198 G HA3 0.479 4.440 3.960 0.001 0.000 0.262 198 G C -0.998 173.897 174.900 -0.010 0.000 1.352 198 G CA -0.572 44.456 45.100 -0.121 0.000 1.004 198 G HN 0.446 nan 8.290 nan 0.000 0.559 199 Y N -1.186 119.181 120.300 0.112 0.000 2.299 199 Y HA 0.576 5.126 4.550 0.000 0.000 0.335 199 Y C 1.166 177.168 175.900 0.170 0.000 1.287 199 Y CA -0.991 57.223 58.100 0.190 0.000 1.424 199 Y CB 0.618 39.255 38.460 0.296 0.000 1.326 199 Y HN 0.230 nan 8.280 nan 0.000 0.567 200 L N 0.651 122.164 121.223 0.484 0.000 2.145 200 L HA 0.087 4.428 4.340 0.001 0.000 0.201 200 L C 1.053 178.096 176.870 0.288 0.000 1.075 200 L CA 0.920 55.949 54.840 0.315 0.000 0.773 200 L CB -0.024 42.191 42.059 0.259 0.000 0.936 200 L HN 0.742 nan 8.230 nan 0.000 0.451 201 S N 0.362 116.207 115.700 0.242 0.000 2.437 201 S HA 0.356 4.827 4.470 0.001 0.000 0.305 201 S C -2.247 172.114 174.600 -0.399 0.000 1.109 201 S CA -1.597 56.509 58.200 -0.156 0.000 1.099 201 S CB 1.133 64.064 63.200 -0.449 0.000 1.004 201 S HN -0.078 nan 8.310 nan 0.000 0.475 202 P HA 0.206 nan 4.420 nan 0.000 0.235 202 P C -0.627 176.319 177.300 -0.591 0.000 1.725 202 P CA 0.021 62.908 63.100 -0.355 0.000 0.894 202 P CB -0.414 31.232 31.700 -0.091 0.000 1.704 203 Y N -1.780 118.151 120.300 -0.616 0.000 2.430 203 Y HA 0.221 4.772 4.550 0.001 0.000 0.254 203 Y C 1.648 177.333 175.900 -0.358 0.000 1.088 203 Y CA -0.039 57.798 58.100 -0.438 0.000 1.267 203 Y CB -0.198 38.036 38.460 -0.376 0.000 1.204 203 Y HN -0.173 nan 8.280 nan 0.000 0.515 204 F N 0.626 120.502 119.950 -0.123 0.000 2.664 204 F HA -0.021 4.505 4.527 -0.000 0.000 0.297 204 F C 0.738 176.442 175.800 -0.159 0.000 1.164 204 F CA -0.226 57.691 58.000 -0.137 0.000 1.472 204 F CB -1.464 37.433 39.000 -0.172 0.000 1.108 204 F HN -0.154 nan 8.300 nan 0.000 0.596 205 I N 2.204 122.717 120.570 -0.096 0.000 2.668 205 I HA -0.122 4.049 4.170 0.001 0.000 0.285 205 I C 0.916 177.029 176.117 -0.006 0.000 1.168 205 I CA 0.302 61.558 61.300 -0.073 0.000 1.424 205 I CB 0.339 38.269 38.000 -0.116 0.000 1.377 205 I HN 0.158 nan 8.210 nan 0.000 0.560 206 N N 4.715 123.420 118.700 0.008 0.000 2.273 206 N HA 0.058 4.798 4.740 0.001 0.000 0.192 206 N C -0.205 175.307 175.510 0.004 0.000 1.132 206 N CA 0.049 53.107 53.050 0.013 0.000 0.887 206 N CB 0.477 38.976 38.487 0.019 0.000 1.048 206 N HN 0.290 nan 8.380 nan 0.000 0.490 207 K N 1.364 121.765 120.400 0.003 0.000 2.521 207 K HA 0.281 4.601 4.320 0.001 0.000 0.248 207 K C -2.126 174.471 176.600 -0.005 0.000 0.978 207 K CA -1.684 54.602 56.287 -0.001 0.000 0.947 207 K CB 2.576 35.078 32.500 0.003 0.000 1.165 207 K HN -0.011 nan 8.250 nan 0.000 0.445 208 P HA -0.104 nan 4.420 nan 0.000 0.223 208 P C 0.662 177.952 177.300 -0.017 0.000 1.151 208 P CA 0.947 64.036 63.100 -0.018 0.000 0.787 208 P CB 0.633 32.321 31.700 -0.020 0.000 0.788 209 E N -0.681 119.510 120.200 -0.014 0.000 2.427 209 E HA -0.033 4.317 4.350 0.001 0.000 0.196 209 E C 1.448 178.039 176.600 -0.016 0.000 1.028 209 E CA 1.079 57.469 56.400 -0.016 0.000 0.864 209 E CB -0.591 29.101 29.700 -0.014 0.000 0.813 209 E HN 0.258 nan 8.360 nan 0.000 0.514 210 T N -2.541 112.009 114.554 -0.006 0.000 3.042 210 T HA 0.221 4.571 4.350 0.001 0.000 0.245 210 T C 1.518 176.224 174.700 0.011 0.000 1.029 210 T CA 0.355 62.457 62.100 0.003 0.000 1.120 210 T CB 0.406 69.284 68.868 0.017 0.000 0.917 210 T HN 0.215 nan 8.240 nan 0.000 0.467 211 G N 1.804 110.611 108.800 0.012 0.000 2.168 211 G HA2 -0.041 3.920 3.960 0.001 0.000 0.263 211 G HA3 -0.041 3.920 3.960 0.001 0.000 0.263 211 G C 0.138 175.089 174.900 0.085 0.000 0.977 211 G CA 0.128 45.245 45.100 0.029 0.000 0.659 211 G HN 1.003 nan 8.290 nan 0.000 0.533 212 A N -0.815 122.051 122.820 0.076 0.000 2.380 212 A HA 0.883 5.203 4.320 0.001 0.000 0.315 212 A C 0.229 177.858 177.584 0.076 0.000 1.101 212 A CA -0.058 52.053 52.037 0.124 0.000 0.771 212 A CB 1.869 20.932 19.000 0.105 0.000 1.287 212 A HN 1.211 nan 8.150 nan 0.000 0.436 213 V N 0.672 120.644 119.914 0.098 0.000 2.881 213 V HA 0.380 4.500 4.120 0.001 0.000 0.303 213 V C 0.352 176.476 176.094 0.051 0.000 1.070 213 V CA 0.026 62.364 62.300 0.063 0.000 1.074 213 V CB 1.048 32.921 31.823 0.084 0.000 1.012 213 V HN 0.938 nan 8.190 nan 0.000 0.482 214 E N 3.003 123.222 120.200 0.031 0.000 2.448 214 E HA 0.481 4.832 4.350 0.001 0.000 0.288 214 E C -1.734 174.871 176.600 0.009 0.000 0.936 214 E CA -0.384 56.027 56.400 0.019 0.000 0.809 214 E CB 1.169 30.878 29.700 0.015 0.000 1.408 214 E HN 0.630 nan 8.360 nan 0.000 0.393 215 L N 3.216 124.441 121.223 0.004 0.000 2.325 215 L HA 0.499 4.839 4.340 0.001 0.000 0.281 215 L C 0.020 176.880 176.870 -0.017 0.000 1.004 215 L CA -0.677 54.160 54.840 -0.005 0.000 0.823 215 L CB 1.669 43.725 42.059 -0.005 0.000 1.236 215 L HN 0.369 nan 8.230 nan 0.000 0.415 216 E N 1.239 121.426 120.200 -0.023 0.000 2.242 216 E HA 0.194 4.545 4.350 0.001 0.000 0.275 216 E C 0.194 176.757 176.600 -0.062 0.000 1.002 216 E CA -0.511 55.867 56.400 -0.036 0.000 0.841 216 E CB 1.631 31.314 29.700 -0.028 0.000 1.109 216 E HN 0.592 nan 8.360 nan 0.000 0.394 217 S N 1.754 117.401 115.700 -0.088 0.000 3.550 217 S HA -0.111 4.360 4.470 0.001 0.000 0.372 217 S C -2.458 172.000 174.600 -0.236 0.000 0.966 217 S CA -0.174 57.935 58.200 -0.152 0.000 1.229 217 S CB -0.883 62.238 63.200 -0.132 0.000 0.917 217 S HN 0.306 nan 8.310 nan 0.000 0.496 218 P HA 0.591 nan 4.420 nan 0.000 0.287 218 P C -0.283 176.857 177.300 -0.267 0.000 1.279 218 P CA -0.782 62.214 63.100 -0.173 0.000 0.867 218 P CB 0.464 32.133 31.700 -0.053 0.000 1.127 219 F N 0.651 120.599 119.950 -0.004 0.000 2.379 219 F HA 0.446 4.973 4.527 0.001 0.000 0.332 219 F C 0.766 176.565 175.800 -0.001 0.000 1.096 219 F CA -0.228 57.770 58.000 -0.003 0.000 1.105 219 F CB 0.684 39.680 39.000 -0.007 0.000 1.189 219 F HN 0.029 nan 8.300 nan 0.000 0.515 220 I N 3.890 124.576 120.570 0.193 0.000 2.418 220 I HA 0.320 4.491 4.170 0.001 0.000 0.287 220 I C -1.127 175.044 176.117 0.091 0.000 1.008 220 I CA -0.505 60.861 61.300 0.110 0.000 1.104 220 I CB 1.695 39.740 38.000 0.076 0.000 1.264 220 I HN 0.375 nan 8.210 nan 0.000 0.438 221 L N 7.640 128.902 121.223 0.064 0.000 2.307 221 L HA 0.605 4.946 4.340 0.001 0.000 0.284 221 L C -1.197 175.688 176.870 0.025 0.000 1.023 221 L CA -0.230 54.632 54.840 0.038 0.000 0.810 221 L CB 1.234 43.307 42.059 0.023 0.000 1.231 221 L HN 0.480 nan 8.230 nan 0.000 0.423 222 L N 5.547 126.778 121.223 0.014 0.000 2.342 222 L HA 0.760 5.100 4.340 0.001 0.000 0.276 222 L C -0.429 176.439 176.870 -0.004 0.000 0.997 222 L CA -0.249 54.591 54.840 -0.001 0.000 0.838 222 L CB 1.608 43.661 42.059 -0.009 0.000 1.224 222 L HN 0.730 nan 8.230 nan 0.000 0.416 223 A N 1.601 124.419 122.820 -0.004 0.000 2.350 223 A HA 0.415 4.736 4.320 0.001 0.000 0.324 223 A C 0.157 177.738 177.584 -0.004 0.000 1.118 223 A CA -0.483 51.553 52.037 -0.002 0.000 0.783 223 A CB 1.380 20.382 19.000 0.004 0.000 1.236 223 A HN 0.754 nan 8.150 nan 0.000 0.457 224 D N 0.564 120.962 120.400 -0.003 0.000 2.137 224 D HA 0.011 4.652 4.640 0.001 0.000 0.202 224 D C 0.742 177.045 176.300 0.005 0.000 0.970 224 D CA 1.577 55.575 54.000 -0.003 0.000 0.837 224 D CB 0.150 40.948 40.800 -0.003 0.000 0.981 224 D HN 0.629 nan 8.370 nan 0.000 0.475 225 K N -0.641 119.764 120.400 0.008 0.000 2.245 225 K HA 0.446 4.766 4.320 0.001 0.000 0.234 225 K C -0.600 176.010 176.600 0.018 0.000 1.021 225 K CA -0.842 55.453 56.287 0.014 0.000 0.898 225 K CB 0.756 33.263 32.500 0.012 0.000 1.163 225 K HN -0.295 nan 8.250 nan 0.000 0.459 226 K N 0.598 121.011 120.400 0.022 0.000 2.350 226 K HA 0.222 4.543 4.320 0.001 0.000 0.279 226 K C -0.512 176.102 176.600 0.024 0.000 1.027 226 K CA -0.055 56.248 56.287 0.026 0.000 0.969 226 K CB 0.291 32.808 32.500 0.028 0.000 0.954 226 K HN 0.445 nan 8.250 nan 0.000 0.474 227 I N 2.456 123.043 120.570 0.028 0.000 2.306 227 I HA 0.048 4.218 4.170 0.001 0.000 0.288 227 I C 0.537 176.672 176.117 0.029 0.000 1.036 227 I CA 0.061 61.377 61.300 0.026 0.000 1.221 227 I CB 1.501 39.516 38.000 0.026 0.000 1.385 227 I HN 0.639 nan 8.210 nan 0.000 0.472 228 S N 3.612 119.326 115.700 0.024 0.000 2.506 228 S HA 0.222 4.692 4.470 0.001 0.000 0.219 228 S C 0.574 175.186 174.600 0.021 0.000 1.031 228 S CA -0.019 58.195 58.200 0.024 0.000 0.911 228 S CB 0.138 63.351 63.200 0.021 0.000 0.812 228 S HN 0.582 nan 8.310 nan 0.000 0.497 229 N N 0.921 119.632 118.700 0.017 0.000 2.342 229 N HA 0.390 5.130 4.740 0.001 0.000 0.293 229 N C -0.127 175.391 175.510 0.013 0.000 1.026 229 N CA -0.218 52.840 53.050 0.014 0.000 0.857 229 N CB 2.019 40.512 38.487 0.010 0.000 1.256 229 N HN 0.064 nan 8.380 nan 0.000 0.484 230 I N 1.639 122.216 120.570 0.013 0.000 3.428 230 I HA 0.018 4.189 4.170 0.001 0.000 0.286 230 I C 2.170 178.290 176.117 0.004 0.000 1.287 230 I CA 0.396 61.702 61.300 0.010 0.000 1.396 230 I CB 0.168 38.176 38.000 0.013 0.000 1.062 230 I HN 0.387 nan 8.210 nan 0.000 0.471 231 R N 0.685 121.186 120.500 0.003 0.000 2.280 231 R HA -0.116 4.225 4.340 0.001 0.000 0.207 231 R C 1.437 177.736 176.300 -0.003 0.000 1.043 231 R CA 0.926 57.026 56.100 -0.000 0.000 1.006 231 R CB 0.053 30.353 30.300 0.000 0.000 0.885 231 R HN 0.493 nan 8.270 nan 0.000 0.467 232 E N -0.680 119.520 120.200 -0.001 0.000 2.371 232 E HA -0.055 4.295 4.350 0.001 0.000 0.194 232 E C 1.436 178.032 176.600 -0.007 0.000 1.012 232 E CA 0.626 57.024 56.400 -0.003 0.000 0.860 232 E CB 0.258 29.959 29.700 0.001 0.000 0.811 232 E HN 0.317 nan 8.360 nan 0.000 0.502 233 M N 0.001 119.596 119.600 -0.008 0.000 2.414 233 M HA 0.095 4.575 4.480 0.001 0.000 0.251 233 M C 1.720 178.007 176.300 -0.021 0.000 1.116 233 M CA 0.107 55.398 55.300 -0.014 0.000 1.056 233 M CB 0.390 32.984 32.600 -0.011 0.000 1.388 233 M HN 0.101 nan 8.290 nan 0.000 0.487 234 L N 1.297 122.510 121.223 -0.018 0.000 2.021 234 L HA -0.205 4.135 4.340 0.001 0.000 0.215 234 L C -0.426 176.427 176.870 -0.029 0.000 1.074 234 L CA 1.763 56.590 54.840 -0.021 0.000 0.760 234 L CB -1.912 40.138 42.059 -0.015 0.000 0.889 234 L HN 0.201 nan 8.230 nan 0.000 0.433 235 P HA -0.076 nan 4.420 nan 0.000 0.226 235 P C 1.641 178.909 177.300 -0.054 0.000 1.153 235 P CA 1.051 64.129 63.100 -0.037 0.000 0.777 235 P CB 0.179 31.861 31.700 -0.031 0.000 0.794 236 V N -0.143 119.737 119.914 -0.057 0.000 2.426 236 V HA -0.081 4.040 4.120 0.001 0.000 0.242 236 V C 2.674 178.710 176.094 -0.097 0.000 1.036 236 V CA 1.043 63.294 62.300 -0.082 0.000 1.044 236 V CB -1.056 30.728 31.823 -0.066 0.000 0.688 236 V HN -0.022 nan 8.190 nan 0.000 0.462 237 L N -0.184 120.999 121.223 -0.067 0.000 2.201 237 L HA -0.122 4.218 4.340 0.001 0.000 0.212 237 L C 2.509 179.344 176.870 -0.058 0.000 1.105 237 L CA 1.400 56.205 54.840 -0.059 0.000 0.775 237 L CB -0.305 41.732 42.059 -0.036 0.000 0.913 237 L HN 0.400 nan 8.230 nan 0.000 0.440 238 E N -0.455 119.712 120.200 -0.055 0.000 2.158 238 E HA -0.114 4.236 4.350 0.001 0.000 0.191 238 E C 2.154 178.715 176.600 -0.065 0.000 0.982 238 E CA 0.854 57.225 56.400 -0.049 0.000 0.823 238 E CB 0.033 29.711 29.700 -0.038 0.000 0.766 238 E HN 0.484 nan 8.360 nan 0.000 0.468 239 A N 0.643 123.407 122.820 -0.093 0.000 2.123 239 A HA -0.019 4.301 4.320 0.001 0.000 0.214 239 A C 2.260 179.733 177.584 -0.184 0.000 1.152 239 A CA 0.360 52.323 52.037 -0.122 0.000 0.728 239 A CB -0.011 18.909 19.000 -0.134 0.000 0.814 239 A HN 0.067 nan 8.150 nan 0.000 0.464 240 V N -0.160 119.635 119.914 -0.199 0.000 2.548 240 V HA -0.184 3.937 4.120 0.001 0.000 0.249 240 V C 2.918 178.964 176.094 -0.081 0.000 1.055 240 V CA 1.492 63.651 62.300 -0.235 0.000 1.065 240 V CB -0.895 30.826 31.823 -0.170 0.000 0.681 240 V HN 0.577 nan 8.190 nan 0.000 0.462 241 A N -0.724 122.065 122.820 -0.052 0.000 2.131 241 A HA -0.169 4.151 4.320 0.001 0.000 0.220 241 A C 1.380 178.964 177.584 0.000 0.000 1.158 241 A CA 1.023 53.052 52.037 -0.014 0.000 0.665 241 A CB -0.386 18.604 19.000 -0.017 0.000 0.795 241 A HN 0.511 nan 8.150 nan 0.000 0.460 242 K N -1.362 119.030 120.400 -0.014 0.000 2.326 242 K HA 0.359 4.679 4.320 0.001 0.000 0.275 242 K C 1.156 177.792 176.600 0.060 0.000 1.018 242 K CA 0.384 56.676 56.287 0.009 0.000 0.962 242 K CB 0.379 32.871 32.500 -0.012 0.000 0.953 242 K HN 0.607 nan 8.250 nan 0.000 0.475 243 A N 2.616 125.472 122.820 0.059 0.000 3.275 243 A HA -0.235 4.085 4.320 0.001 0.000 0.241 243 A C 1.070 178.696 177.584 0.070 0.000 0.607 243 A CA 1.728 53.810 52.037 0.075 0.000 1.181 243 A CB -2.197 16.873 19.000 0.117 0.000 1.304 243 A HN 1.486 nan 8.150 nan 0.000 0.682 244 G N -1.582 107.270 108.800 0.087 0.000 2.309 244 G HA2 0.089 4.050 3.960 0.001 0.000 0.183 244 G HA3 0.089 4.050 3.960 0.001 0.000 0.183 244 G C -0.418 174.531 174.900 0.081 0.000 1.063 244 G CA 0.855 45.995 45.100 0.068 0.000 0.768 244 G HN 1.144 nan 8.290 nan 0.000 0.490 245 K N 1.043 121.532 120.400 0.149 0.000 2.324 245 K HA 0.609 4.929 4.320 0.001 0.000 0.253 245 K C -1.954 174.762 176.600 0.194 0.000 0.932 245 K CA -2.018 54.350 56.287 0.136 0.000 0.799 245 K CB 2.764 35.313 32.500 0.080 0.000 1.154 245 K HN 0.115 nan 8.250 nan 0.000 0.425 246 P HA 0.113 nan 4.420 nan 0.000 0.282 246 P C -1.125 176.264 177.300 0.148 0.000 1.286 246 P CA -0.529 62.627 63.100 0.092 0.000 0.777 246 P CB 0.586 32.306 31.700 0.034 0.000 1.184 247 L N -0.761 120.512 121.223 0.083 0.000 2.409 247 L HA 0.659 4.999 4.340 0.001 0.000 0.262 247 L C -1.584 175.298 176.870 0.020 0.000 0.992 247 L CA -0.997 53.897 54.840 0.091 0.000 0.817 247 L CB 1.805 43.903 42.059 0.065 0.000 1.350 247 L HN 0.241 nan 8.230 nan 0.000 0.411 248 L N 4.419 125.665 121.223 0.039 0.000 2.386 248 L HA 0.740 5.080 4.340 0.001 0.000 0.271 248 L C -1.628 175.257 176.870 0.026 0.000 0.993 248 L CA -0.314 54.535 54.840 0.016 0.000 0.819 248 L CB 1.875 43.959 42.059 0.041 0.000 1.294 248 L HN 0.441 nan 8.230 nan 0.000 0.414 249 I N 6.288 126.864 120.570 0.010 0.000 2.389 249 I HA 0.378 4.549 4.170 0.001 0.000 0.288 249 I C -0.464 175.682 176.117 0.048 0.000 0.999 249 I CA -0.352 60.961 61.300 0.022 0.000 1.129 249 I CB 1.499 39.501 38.000 0.003 0.000 1.288 249 I HN 0.560 nan 8.210 nan 0.000 0.444 250 I N 5.642 126.239 120.570 0.044 0.000 2.412 250 I HA 0.569 4.739 4.170 0.001 0.000 0.279 250 I C 0.241 176.362 176.117 0.006 0.000 1.063 250 I CA -0.208 61.114 61.300 0.036 0.000 1.193 250 I CB 1.195 39.200 38.000 0.009 0.000 1.370 250 I HN 0.669 nan 8.210 nan 0.000 0.479 251 A N 4.103 126.936 122.820 0.022 0.000 2.430 251 A HA 0.445 4.765 4.320 0.001 0.000 0.300 251 A C 0.932 178.530 177.584 0.024 0.000 1.124 251 A CA -0.550 51.496 52.037 0.016 0.000 0.766 251 A CB 1.583 20.597 19.000 0.023 0.000 1.328 251 A HN 0.703 nan 8.150 nan 0.000 0.424 252 E N -0.126 120.086 120.200 0.021 0.000 2.065 252 E HA -0.210 4.140 4.350 0.001 0.000 0.201 252 E C -0.246 176.382 176.600 0.046 0.000 1.016 252 E CA 1.924 58.343 56.400 0.032 0.000 0.818 252 E CB 0.122 29.841 29.700 0.031 0.000 0.749 252 E HN 0.631 nan 8.360 nan 0.000 0.453 253 D N -1.946 118.482 120.400 0.047 0.000 2.685 253 D HA 0.178 4.818 4.640 0.001 0.000 0.236 253 D C -1.828 174.505 176.300 0.055 0.000 1.233 253 D CA -0.463 53.571 54.000 0.057 0.000 0.760 253 D CB 2.203 43.035 40.800 0.053 0.000 1.410 253 D HN -0.090 nan 8.370 nan 0.000 0.439 254 V N 2.418 122.373 119.914 0.069 0.000 2.376 254 V HA 0.409 4.530 4.120 0.001 0.000 0.287 254 V C -0.145 175.991 176.094 0.069 0.000 1.015 254 V CA -0.599 61.741 62.300 0.066 0.000 0.834 254 V CB 1.476 33.345 31.823 0.077 0.000 1.001 254 V HN 0.354 nan 8.190 nan 0.000 0.428 255 E N 2.754 122.986 120.200 0.054 0.000 2.195 255 E HA 0.652 5.003 4.350 0.001 0.000 0.271 255 E C 0.913 177.540 176.600 0.045 0.000 0.923 255 E CA 0.220 56.650 56.400 0.049 0.000 0.790 255 E CB 2.146 31.869 29.700 0.039 0.000 1.155 255 E HN 0.847 nan 8.360 nan 0.000 0.402 256 G N 2.942 111.769 108.800 0.044 0.000 2.675 256 G HA2 -0.439 3.521 3.960 0.001 0.000 0.312 256 G HA3 -0.439 3.521 3.960 0.001 0.000 0.312 256 G C 1.136 176.059 174.900 0.039 0.000 1.186 256 G CA 0.581 45.703 45.100 0.037 0.000 0.965 256 G HN 0.626 nan 8.290 nan 0.000 0.548 257 E N 1.465 121.685 120.200 0.032 0.000 2.017 257 E HA -0.033 4.317 4.350 0.001 0.000 0.193 257 E C 3.047 179.668 176.600 0.035 0.000 0.997 257 E CA 2.216 58.633 56.400 0.029 0.000 0.804 257 E CB -0.667 29.046 29.700 0.021 0.000 0.757 257 E HN 0.936 nan 8.360 nan 0.000 0.448 258 A N 1.312 124.154 122.820 0.037 0.000 1.972 258 A HA -0.168 4.152 4.320 0.001 0.000 0.219 258 A C 2.249 179.871 177.584 0.062 0.000 1.169 258 A CA 1.420 53.482 52.037 0.041 0.000 0.635 258 A CB -0.651 18.370 19.000 0.035 0.000 0.810 258 A HN 0.345 nan 8.150 nan 0.000 0.446 259 L N -0.176 121.093 121.223 0.076 0.000 1.976 259 L HA -0.073 4.267 4.340 0.001 0.000 0.209 259 L C 2.632 179.577 176.870 0.125 0.000 1.071 259 L CA 2.523 57.433 54.840 0.116 0.000 0.746 259 L CB -0.772 41.352 42.059 0.110 0.000 0.890 259 L HN 0.292 nan 8.230 nan 0.000 0.432 260 A N -1.824 121.045 122.820 0.082 0.000 2.015 260 A HA -0.131 4.189 4.320 0.001 0.000 0.219 260 A C 2.173 179.789 177.584 0.052 0.000 1.163 260 A CA 1.916 53.990 52.037 0.061 0.000 0.646 260 A CB -1.084 17.938 19.000 0.036 0.000 0.806 260 A HN 0.574 nan 8.150 nan 0.000 0.448 261 T N 0.349 114.934 114.554 0.052 0.000 2.904 261 T HA 0.009 4.359 4.350 0.001 0.000 0.267 261 T C 1.687 176.419 174.700 0.053 0.000 1.059 261 T CA 1.179 63.302 62.100 0.038 0.000 1.137 261 T CB -0.268 68.617 68.868 0.028 0.000 0.879 261 T HN 0.386 nan 8.240 nan 0.000 0.467 262 L N 0.746 122.022 121.223 0.089 0.000 2.156 262 L HA -0.006 4.335 4.340 0.001 0.000 0.208 262 L C 2.543 179.529 176.870 0.194 0.000 1.095 262 L CA 0.576 55.484 54.840 0.113 0.000 0.770 262 L CB -0.566 41.555 42.059 0.102 0.000 0.914 262 L HN 0.138 nan 8.230 nan 0.000 0.439 263 V N -1.011 119.034 119.914 0.219 0.000 2.427 263 V HA -0.189 3.932 4.120 0.001 0.000 0.248 263 V C 2.379 178.479 176.094 0.010 0.000 1.051 263 V CA 1.186 63.575 62.300 0.149 0.000 1.048 263 V CB -0.228 31.600 31.823 0.010 0.000 0.666 263 V HN 0.200 nan 8.190 nan 0.000 0.456 264 V N 0.479 120.392 119.914 -0.001 0.000 2.515 264 V HA -0.206 3.914 4.120 0.001 0.000 0.250 264 V C 2.129 178.218 176.094 -0.008 0.000 1.058 264 V CA 1.852 64.134 62.300 -0.031 0.000 1.064 264 V CB -0.860 30.949 31.823 -0.023 0.000 0.675 264 V HN 0.611 nan 8.190 nan 0.000 0.461 265 N N 0.315 119.029 118.700 0.024 0.000 2.520 265 N HA -0.119 4.621 4.740 0.001 0.000 0.185 265 N C 1.835 177.364 175.510 0.031 0.000 1.068 265 N CA 1.694 54.758 53.050 0.024 0.000 0.911 265 N CB 0.137 38.641 38.487 0.027 0.000 0.961 265 N HN 0.715 nan 8.380 nan 0.000 0.446 266 T N -1.439 113.147 114.554 0.052 0.000 3.010 266 T HA 0.032 4.383 4.350 0.001 0.000 0.252 266 T C 1.936 176.646 174.700 0.017 0.000 1.047 266 T CA -0.011 62.127 62.100 0.063 0.000 1.140 266 T CB -0.006 68.955 68.868 0.155 0.000 0.885 266 T HN 0.033 nan 8.240 nan 0.000 0.464 267 M N 1.331 120.917 119.600 -0.024 0.000 2.065 267 M HA -0.123 4.358 4.480 0.001 0.000 0.259 267 M C 2.505 178.788 176.300 -0.029 0.000 1.071 267 M CA 1.753 57.022 55.300 -0.051 0.000 1.109 267 M CB -0.179 32.364 32.600 -0.095 0.000 1.313 267 M HN 0.124 nan 8.290 nan 0.000 0.408 268 R N -0.385 120.101 120.500 -0.023 0.000 2.148 268 R HA -0.015 4.325 4.340 0.001 0.000 0.227 268 R C 1.428 177.724 176.300 -0.007 0.000 1.103 268 R CA 0.896 56.987 56.100 -0.015 0.000 0.983 268 R CB -0.281 30.011 30.300 -0.013 0.000 0.874 268 R HN 0.805 nan 8.270 nan 0.000 0.451 269 G N 0.766 109.566 108.800 -0.000 0.000 2.175 269 G HA2 -0.249 3.711 3.960 0.001 0.000 0.244 269 G HA3 -0.249 3.711 3.960 0.001 0.000 0.244 269 G C 0.244 175.149 174.900 0.008 0.000 0.982 269 G CA -0.201 44.902 45.100 0.006 0.000 0.641 269 G HN 0.252 nan 8.290 nan 0.000 0.527 270 I N 1.881 122.454 120.570 0.006 0.000 2.472 270 I HA 0.312 4.482 4.170 0.001 0.000 0.305 270 I C 0.891 177.012 176.117 0.007 0.000 1.196 270 I CA -0.070 61.233 61.300 0.004 0.000 1.613 270 I CB -0.163 37.838 38.000 0.001 0.000 1.501 270 I HN 0.173 nan 8.210 nan 0.000 0.754 271 V N 4.214 124.134 119.914 0.009 0.000 3.677 271 V HA -0.229 3.892 4.120 0.001 0.000 0.479 271 V C 0.233 176.331 176.094 0.007 0.000 0.682 271 V CA 0.318 62.624 62.300 0.010 0.000 1.977 271 V CB -1.318 30.507 31.823 0.003 0.000 2.402 271 V HN 0.721 nan 8.190 nan 0.000 0.501 272 K N 4.033 124.439 120.400 0.010 0.000 2.349 272 K HA 0.590 4.911 4.320 0.001 0.000 0.289 272 K C -0.342 176.232 176.600 -0.044 0.000 1.064 272 K CA -0.047 56.242 56.287 0.003 0.000 0.947 272 K CB 1.290 33.799 32.500 0.016 0.000 1.007 272 K HN 0.524 nan 8.250 nan 0.000 0.478 273 V N 2.412 122.258 119.914 -0.114 0.000 2.577 273 V HA 0.649 4.770 4.120 0.001 0.000 0.303 273 V C -0.611 175.125 176.094 -0.598 0.000 1.042 273 V CA -1.105 61.062 62.300 -0.222 0.000 0.872 273 V CB 1.790 33.525 31.823 -0.146 0.000 0.998 273 V HN 0.807 nan 8.190 nan 0.000 0.423 274 A N 3.702 126.182 122.820 -0.568 0.000 2.324 274 A HA 0.966 5.286 4.320 0.001 0.000 0.330 274 A C -0.062 177.280 177.584 -0.404 0.000 1.165 274 A CA -0.324 51.191 52.037 -0.870 0.000 0.813 274 A CB 1.472 20.237 19.000 -0.391 0.000 1.197 274 A HN 1.377 nan 8.150 nan 0.000 0.484 275 A N 1.551 124.195 122.820 -0.293 0.000 2.331 275 A HA 0.694 5.015 4.320 0.001 0.000 0.320 275 A C -0.287 177.384 177.584 0.145 0.000 1.138 275 A CA -0.340 51.691 52.037 -0.010 0.000 0.790 275 A CB 0.812 19.833 19.000 0.035 0.000 1.206 275 A HN 2.024 nan 8.150 nan 0.000 0.470 276 V N 0.109 120.113 119.914 0.150 0.000 2.680 276 V HA 0.575 4.695 4.120 0.001 0.000 0.309 276 V C -0.262 175.944 176.094 0.187 0.000 1.052 276 V CA -1.214 61.213 62.300 0.212 0.000 0.908 276 V CB 1.360 33.356 31.823 0.287 0.000 1.001 276 V HN 0.821 nan 8.190 nan 0.000 0.431 277 K N 2.460 122.971 120.400 0.185 0.000 2.382 277 K HA 0.577 4.897 4.320 0.001 0.000 0.275 277 K C 0.478 177.137 176.600 0.098 0.000 1.009 277 K CA 0.274 56.640 56.287 0.131 0.000 0.970 277 K CB 1.122 33.694 32.500 0.120 0.000 0.934 277 K HN 1.072 nan 8.250 nan 0.000 0.479 278 A N 4.745 127.574 122.820 0.015 0.000 2.477 278 A HA 0.191 4.511 4.320 0.001 0.000 0.246 278 A C -2.065 175.464 177.584 -0.091 0.000 1.078 278 A CA -1.209 50.770 52.037 -0.096 0.000 0.770 278 A CB -0.352 18.609 19.000 -0.065 0.000 1.011 278 A HN 0.444 nan 8.150 nan 0.000 0.494 279 P HA 0.337 nan 4.420 nan 0.000 0.271 279 P C 0.822 178.108 177.300 -0.023 0.000 1.226 279 P CA 1.606 64.635 63.100 -0.119 0.000 0.765 279 P CB 0.500 32.036 31.700 -0.273 0.000 0.835 280 G N 3.360 112.209 108.800 0.081 0.000 2.553 280 G HA2 -0.060 3.900 3.960 0.001 0.000 0.242 280 G HA3 -0.060 3.900 3.960 0.001 0.000 0.242 280 G C -0.854 174.196 174.900 0.251 0.000 1.277 280 G CA 0.052 45.240 45.100 0.146 0.000 0.910 280 G HN 0.737 nan 8.290 nan 0.000 0.576 281 F N -2.445 117.517 119.950 0.019 0.000 2.703 281 F HA 0.709 5.236 4.527 0.000 0.000 0.308 281 F C 0.895 176.709 175.800 0.022 0.000 1.126 281 F CA 0.496 58.508 58.000 0.019 0.000 0.959 281 F CB 1.013 40.029 39.000 0.027 0.000 1.297 281 F HN 2.487 nan 8.300 nan 0.000 0.441 282 G N 2.319 111.169 108.800 0.083 0.000 2.536 282 G HA2 -0.365 3.595 3.960 0.001 0.000 0.280 282 G HA3 -0.365 3.595 3.960 0.001 0.000 0.280 282 G C 0.264 175.120 174.900 -0.074 0.000 1.152 282 G CA 0.864 45.968 45.100 0.006 0.000 0.970 282 G HN 0.900 nan 8.290 nan 0.000 0.549 283 D N 0.851 121.184 120.400 -0.112 0.000 2.183 283 D HA 0.051 4.691 4.640 0.001 0.000 0.203 283 D C 2.583 178.817 176.300 -0.110 0.000 0.969 283 D CA 1.557 55.505 54.000 -0.086 0.000 0.842 283 D CB -0.127 40.635 40.800 -0.063 0.000 0.957 283 D HN 0.646 nan 8.370 nan 0.000 0.484 284 R N 0.327 120.720 120.500 -0.179 0.000 2.148 284 R HA 0.066 4.406 4.340 0.001 0.000 0.223 284 R C 2.115 178.335 176.300 -0.134 0.000 1.088 284 R CA 0.607 56.608 56.100 -0.164 0.000 0.985 284 R CB -0.168 30.003 30.300 -0.215 0.000 0.880 284 R HN 0.031 nan 8.270 nan 0.000 0.451 285 R N 1.618 122.040 120.500 -0.130 0.000 2.062 285 R HA -0.061 4.280 4.340 0.001 0.000 0.231 285 R C 1.836 178.093 176.300 -0.071 0.000 1.136 285 R CA 1.776 57.827 56.100 -0.082 0.000 0.948 285 R CB -0.080 30.200 30.300 -0.035 0.000 0.845 285 R HN 0.242 nan 8.270 nan 0.000 0.430 286 K N -0.200 120.166 120.400 -0.058 0.000 2.113 286 K HA -0.171 4.150 4.320 0.001 0.000 0.208 286 K C 2.017 178.586 176.600 -0.051 0.000 1.047 286 K CA 1.713 57.973 56.287 -0.045 0.000 0.928 286 K CB -0.144 32.335 32.500 -0.035 0.000 0.716 286 K HN 0.220 nan 8.250 nan 0.000 0.446 287 A N 0.899 123.683 122.820 -0.060 0.000 1.898 287 A HA -0.049 4.272 4.320 0.001 0.000 0.214 287 A C 2.018 179.564 177.584 -0.063 0.000 1.183 287 A CA 1.008 53.011 52.037 -0.056 0.000 0.622 287 A CB -0.281 18.684 19.000 -0.058 0.000 0.824 287 A HN 0.162 nan 8.150 nan 0.000 0.444 288 M N -0.333 119.219 119.600 -0.080 0.000 2.476 288 M HA 0.011 4.491 4.480 0.001 0.000 0.262 288 M C 1.699 177.933 176.300 -0.109 0.000 1.079 288 M CA 0.681 55.924 55.300 -0.095 0.000 1.104 288 M CB -0.359 32.172 32.600 -0.115 0.000 1.409 288 M HN 0.373 nan 8.290 nan 0.000 0.467 289 L N -0.507 120.659 121.223 -0.095 0.000 2.056 289 L HA -0.205 4.135 4.340 0.001 0.000 0.207 289 L C 2.472 179.306 176.870 -0.060 0.000 1.078 289 L CA 1.362 56.149 54.840 -0.087 0.000 0.749 289 L CB -0.555 41.465 42.059 -0.066 0.000 0.901 289 L HN 0.332 nan 8.230 nan 0.000 0.433 290 Q N -0.210 119.562 119.800 -0.046 0.000 2.369 290 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 290 Q C 1.424 177.407 176.000 -0.027 0.000 0.963 290 Q CA 0.920 56.705 55.803 -0.031 0.000 0.894 290 Q CB 0.203 28.925 28.738 -0.026 0.000 0.965 290 Q HN 0.443 nan 8.270 nan 0.000 0.475 291 D N 0.186 120.564 120.400 -0.036 0.000 2.117 291 D HA -0.146 4.495 4.640 0.001 0.000 0.197 291 D C 1.493 177.784 176.300 -0.016 0.000 0.987 291 D CA 1.099 55.083 54.000 -0.027 0.000 0.829 291 D CB 0.000 40.780 40.800 -0.034 0.000 0.961 291 D HN 0.326 nan 8.370 nan 0.000 0.460 292 I N 0.596 121.151 120.570 -0.025 0.000 2.500 292 I HA -0.128 4.043 4.170 0.001 0.000 0.252 292 I C 2.321 178.439 176.117 0.002 0.000 1.142 292 I CA 0.566 61.863 61.300 -0.005 0.000 1.451 292 I CB -0.096 37.893 38.000 -0.019 0.000 1.093 292 I HN -0.072 nan 8.210 nan 0.000 0.430 293 A N 1.124 123.939 122.820 -0.008 0.000 1.873 293 A HA -0.208 4.112 4.320 0.001 0.000 0.215 293 A C 2.457 180.043 177.584 0.003 0.000 1.186 293 A CA 2.378 54.415 52.037 -0.000 0.000 0.616 293 A CB -1.238 17.758 19.000 -0.006 0.000 0.823 293 A HN 0.480 nan 8.150 nan 0.000 0.442 294 T N -1.848 112.705 114.554 -0.002 0.000 2.915 294 T HA -0.048 4.303 4.350 0.001 0.000 0.269 294 T C 1.772 176.474 174.700 0.003 0.000 1.071 294 T CA 1.155 63.255 62.100 -0.000 0.000 1.132 294 T CB -0.273 68.592 68.868 -0.004 0.000 0.878 294 T HN 0.166 nan 8.240 nan 0.000 0.479 295 L N 2.347 123.573 121.223 0.006 0.000 2.023 295 L HA -0.028 4.312 4.340 0.001 0.000 0.205 295 L C 2.796 179.673 176.870 0.011 0.000 1.073 295 L CA 2.606 57.452 54.840 0.010 0.000 0.745 295 L CB -1.435 40.634 42.059 0.017 0.000 0.900 295 L HN 0.576 nan 8.230 nan 0.000 0.435 296 T N -3.613 110.950 114.554 0.015 0.000 2.985 296 T HA 0.118 4.469 4.350 0.001 0.000 0.266 296 T C 1.393 176.103 174.700 0.017 0.000 1.076 296 T CA 0.822 62.932 62.100 0.017 0.000 1.135 296 T CB 0.048 68.931 68.868 0.026 0.000 0.890 296 T HN 0.552 nan 8.240 nan 0.000 0.480 297 G N 0.189 108.999 108.800 0.016 0.000 2.148 297 G HA2 0.088 4.049 3.960 0.001 0.000 0.203 297 G HA3 0.088 4.049 3.960 0.001 0.000 0.203 297 G C 0.321 175.234 174.900 0.021 0.000 0.993 297 G CA -0.164 44.945 45.100 0.016 0.000 0.661 297 G HN 1.000 nan 8.290 nan 0.000 0.518 298 G N -1.049 107.765 108.800 0.023 0.000 2.990 298 G HA2 0.928 4.888 3.960 0.001 0.000 0.208 298 G HA3 0.928 4.888 3.960 0.001 0.000 0.208 298 G C -0.085 174.824 174.900 0.014 0.000 1.334 298 G CA 0.556 45.671 45.100 0.024 0.000 1.024 298 G HN 1.334 nan 8.290 nan 0.000 0.574 299 T N -2.622 111.939 114.554 0.012 0.000 2.909 299 T HA 0.565 4.915 4.350 0.001 0.000 0.299 299 T C -0.827 173.875 174.700 0.002 0.000 1.073 299 T CA -0.596 61.507 62.100 0.004 0.000 0.999 299 T CB 1.695 70.565 68.868 0.002 0.000 1.098 299 T HN 0.440 nan 8.240 nan 0.000 0.477 300 V N 3.175 123.087 119.914 -0.004 0.000 2.461 300 V HA 0.326 4.446 4.120 0.001 0.000 0.275 300 V C 0.397 176.488 176.094 -0.006 0.000 1.047 300 V CA -0.741 61.555 62.300 -0.007 0.000 0.955 300 V CB 0.452 32.266 31.823 -0.015 0.000 0.988 300 V HN 0.804 nan 8.190 nan 0.000 0.471 301 I N 5.152 125.720 120.570 -0.005 0.000 2.379 301 I HA 0.223 4.394 4.170 0.001 0.000 0.290 301 I C 0.456 176.570 176.117 -0.005 0.000 1.063 301 I CA 0.474 61.772 61.300 -0.004 0.000 1.351 301 I CB 0.921 38.919 38.000 -0.004 0.000 1.410 301 I HN 0.738 nan 8.210 nan 0.000 0.505 302 S N 4.092 119.789 115.700 -0.005 0.000 2.498 302 S HA 0.339 4.809 4.470 0.001 0.000 0.317 302 S C 0.391 174.990 174.600 -0.002 0.000 1.090 302 S CA -0.887 57.310 58.200 -0.004 0.000 1.089 302 S CB 1.643 64.840 63.200 -0.006 0.000 0.997 302 S HN 0.615 nan 8.310 nan 0.000 0.470 303 E N 1.646 121.846 120.200 -0.000 0.000 2.472 303 E HA -0.102 4.248 4.350 0.001 0.000 0.200 303 E C 0.431 177.032 176.600 0.001 0.000 1.046 303 E CA 0.745 57.145 56.400 0.001 0.000 0.871 303 E CB 0.066 29.768 29.700 0.003 0.000 0.806 303 E HN 0.774 nan 8.360 nan 0.000 0.533 304 E N -0.255 119.945 120.200 0.000 0.000 2.419 304 E HA 0.113 4.463 4.350 0.001 0.000 0.190 304 E C 1.018 177.617 176.600 -0.001 0.000 1.040 304 E CA -0.058 56.342 56.400 0.001 0.000 0.900 304 E CB 0.472 30.173 29.700 0.001 0.000 1.054 304 E HN 0.253 nan 8.360 nan 0.000 0.462 305 I N -2.286 118.283 120.570 -0.001 0.000 4.399 305 I HA 0.242 4.412 4.170 0.001 0.000 0.301 305 I C 1.497 177.613 176.117 -0.002 0.000 1.198 305 I CA 0.305 61.603 61.300 -0.002 0.000 1.315 305 I CB 1.275 39.273 38.000 -0.003 0.000 1.452 305 I HN 0.199 nan 8.210 nan 0.000 0.457 306 G N 0.571 109.370 108.800 -0.002 0.000 3.609 306 G HA2 0.022 3.982 3.960 0.001 0.000 0.219 306 G HA3 0.022 3.982 3.960 0.001 0.000 0.219 306 G C 0.276 175.175 174.900 -0.002 0.000 0.951 306 G CA -0.556 44.543 45.100 -0.002 0.000 0.867 306 G HN -0.026 nan 8.290 nan 0.000 0.478 307 M N 1.745 121.344 119.600 -0.003 0.000 2.239 307 M HA 0.417 4.897 4.480 0.001 0.000 0.348 307 M C 0.292 176.590 176.300 -0.003 0.000 1.239 307 M CA 0.746 56.044 55.300 -0.003 0.000 1.114 307 M CB 0.796 33.394 32.600 -0.004 0.000 1.641 307 M HN 0.202 nan 8.290 nan 0.000 0.453 308 E N 1.684 121.881 120.200 -0.004 0.000 2.299 308 E HA 0.325 4.675 4.350 0.001 0.000 0.260 308 E C 0.078 176.674 176.600 -0.006 0.000 0.944 308 E CA -0.694 55.704 56.400 -0.004 0.000 0.815 308 E CB 1.644 31.341 29.700 -0.004 0.000 1.252 308 E HN 0.629 nan 8.360 nan 0.000 0.418 309 L N 0.988 122.208 121.223 -0.006 0.000 2.509 309 L HA -0.015 4.325 4.340 0.001 0.000 0.222 309 L C 1.471 178.334 176.870 -0.012 0.000 1.123 309 L CA 0.625 55.460 54.840 -0.008 0.000 0.856 309 L CB 0.045 42.100 42.059 -0.006 0.000 0.985 309 L HN 0.487 nan 8.230 nan 0.000 0.456 310 E N 0.349 120.543 120.200 -0.010 0.000 2.285 310 E HA -0.058 4.292 4.350 0.001 0.000 0.194 310 E C 0.228 176.819 176.600 -0.014 0.000 0.997 310 E CA 0.781 57.174 56.400 -0.012 0.000 0.845 310 E CB 0.197 29.892 29.700 -0.009 0.000 0.782 310 E HN 0.198 nan 8.360 nan 0.000 0.491 311 K N 0.371 120.763 120.400 -0.013 0.000 2.606 311 K HA 0.610 4.930 4.320 0.001 0.000 0.196 311 K C -1.355 175.236 176.600 -0.014 0.000 1.048 311 K CA -0.308 55.971 56.287 -0.013 0.000 1.017 311 K CB 1.718 34.212 32.500 -0.010 0.000 1.413 311 K HN -0.038 nan 8.250 nan 0.000 0.568 312 A N 1.148 123.956 122.820 -0.019 0.000 2.480 312 A HA 0.400 4.720 4.320 0.001 0.000 0.289 312 A C -0.038 177.528 177.584 -0.030 0.000 1.044 312 A CA -0.834 51.190 52.037 -0.021 0.000 0.761 312 A CB 0.649 19.638 19.000 -0.019 0.000 1.289 312 A HN 0.422 nan 8.150 nan 0.000 0.401 313 T N 0.300 114.838 114.554 -0.028 0.000 2.732 313 T HA 0.449 4.799 4.350 0.001 0.000 0.287 313 T C 1.323 175.994 174.700 -0.049 0.000 0.993 313 T CA -0.303 61.774 62.100 -0.037 0.000 0.966 313 T CB 0.203 69.056 68.868 -0.025 0.000 1.047 313 T HN 0.455 nan 8.240 nan 0.000 0.527 314 L N -0.029 121.153 121.223 -0.067 0.000 2.265 314 L HA -0.030 4.311 4.340 0.001 0.000 0.215 314 L C 3.019 179.878 176.870 -0.018 0.000 1.117 314 L CA 1.305 56.086 54.840 -0.098 0.000 0.782 314 L CB -0.563 41.413 42.059 -0.138 0.000 0.914 314 L HN 0.839 nan 8.230 nan 0.000 0.441 315 E N 0.388 120.590 120.200 0.005 0.000 2.150 315 E HA -0.238 4.112 4.350 0.001 0.000 0.193 315 E C 1.261 177.881 176.600 0.033 0.000 0.985 315 E CA 1.323 57.741 56.400 0.031 0.000 0.814 315 E CB 0.144 29.855 29.700 0.019 0.000 0.752 315 E HN 0.485 nan 8.360 nan 0.000 0.466 316 D N 0.096 120.506 120.400 0.016 0.000 2.309 316 D HA -0.061 4.579 4.640 0.001 0.000 0.212 316 D C -0.043 176.276 176.300 0.031 0.000 0.968 316 D CA 0.527 54.536 54.000 0.016 0.000 0.882 316 D CB 0.007 40.808 40.800 0.002 0.000 0.918 316 D HN 0.092 nan 8.370 nan 0.000 0.503 317 L N 0.443 121.696 121.223 0.049 0.000 2.349 317 L HA 0.382 4.722 4.340 0.001 0.000 0.275 317 L C 1.318 178.269 176.870 0.134 0.000 1.115 317 L CA -0.279 54.618 54.840 0.095 0.000 0.820 317 L CB 1.251 43.379 42.059 0.115 0.000 1.135 317 L HN -0.122 nan 8.230 nan 0.000 0.445 318 G N 2.174 111.039 108.800 0.108 0.000 2.539 318 G HA2 0.468 4.428 3.960 0.001 0.000 0.258 318 G HA3 0.468 4.428 3.960 0.001 0.000 0.258 318 G C -0.743 174.204 174.900 0.079 0.000 1.202 318 G CA -0.382 44.767 45.100 0.081 0.000 0.851 318 G HN 0.595 nan 8.290 nan 0.000 0.556 319 Q N -0.375 119.437 119.800 0.021 0.000 2.275 319 Q HA 0.558 4.898 4.340 0.001 0.000 0.266 319 Q C -0.277 175.689 176.000 -0.057 0.000 1.002 319 Q CA -0.633 55.135 55.803 -0.059 0.000 0.761 319 Q CB 2.202 30.887 28.738 -0.088 0.000 1.255 319 Q HN 0.736 nan 8.270 nan 0.000 0.446 320 A N 1.818 124.595 122.820 -0.071 0.000 2.468 320 A HA 0.561 4.881 4.320 0.001 0.000 0.270 320 A C 0.111 177.650 177.584 -0.075 0.000 1.217 320 A CA -0.440 51.566 52.037 -0.051 0.000 0.908 320 A CB 1.152 20.138 19.000 -0.022 0.000 1.423 320 A HN 0.658 nan 8.150 nan 0.000 0.459 321 K N -1.095 119.274 120.400 -0.053 0.000 2.313 321 K HA 0.189 4.509 4.320 0.001 0.000 0.197 321 K C 0.392 176.964 176.600 -0.047 0.000 1.061 321 K CA 0.520 56.773 56.287 -0.056 0.000 0.980 321 K CB 0.521 32.997 32.500 -0.041 0.000 0.888 321 K HN 0.551 nan 8.250 nan 0.000 0.502 322 R N 0.584 121.064 120.500 -0.033 0.000 2.561 322 R HA 0.224 4.565 4.340 0.001 0.000 0.266 322 R C -1.877 174.415 176.300 -0.014 0.000 1.091 322 R CA -0.507 55.579 56.100 -0.024 0.000 0.927 322 R CB 1.973 32.262 30.300 -0.018 0.000 1.240 322 R HN -0.084 nan 8.270 nan 0.000 0.449 323 V N 0.618 120.527 119.914 -0.009 0.000 2.638 323 V HA 0.749 4.869 4.120 0.001 0.000 0.306 323 V C -0.939 175.156 176.094 0.002 0.000 1.052 323 V CA -0.785 61.514 62.300 -0.002 0.000 0.885 323 V CB 1.894 33.723 31.823 0.010 0.000 0.999 323 V HN 0.406 nan 8.190 nan 0.000 0.424 324 V N 5.530 125.441 119.914 -0.006 0.000 2.495 324 V HA 0.608 4.728 4.120 0.001 0.000 0.298 324 V C -0.383 175.713 176.094 0.002 0.000 1.031 324 V CA -0.368 61.935 62.300 0.006 0.000 0.871 324 V CB 1.806 33.630 31.823 0.001 0.000 0.988 324 V HN 0.858 nan 8.190 nan 0.000 0.432 325 I N 4.090 124.697 120.570 0.062 0.000 2.448 325 I HA 0.383 4.553 4.170 0.001 0.000 0.281 325 I C 0.043 176.274 176.117 0.190 0.000 1.027 325 I CA -0.278 61.087 61.300 0.107 0.000 1.111 325 I CB 1.492 39.621 38.000 0.215 0.000 1.236 325 I HN 0.542 nan 8.210 nan 0.000 0.452 326 N N 3.889 122.619 118.700 0.049 0.000 2.366 326 N HA 0.175 4.915 4.740 0.001 0.000 0.277 326 N C 0.977 176.354 175.510 -0.221 0.000 1.275 326 N CA -0.054 53.008 53.050 0.020 0.000 0.964 326 N CB 0.833 39.308 38.487 -0.021 0.000 1.167 326 N HN 0.398 nan 8.380 nan 0.000 0.568 327 K N -0.836 119.398 120.400 -0.277 0.000 2.442 327 K HA -0.028 4.292 4.320 0.001 0.000 0.198 327 K C -0.350 176.017 176.600 -0.388 0.000 1.042 327 K CA 1.444 57.414 56.287 -0.528 0.000 0.958 327 K CB 0.116 32.476 32.500 -0.233 0.000 0.766 327 K HN 0.634 nan 8.250 nan 0.000 0.474 328 D N -2.659 117.600 120.400 -0.234 0.000 2.489 328 D HA -0.003 4.637 4.640 0.001 0.000 0.343 328 D C -0.670 175.559 176.300 -0.119 0.000 1.295 328 D CA -0.167 53.747 54.000 -0.143 0.000 0.908 328 D CB 0.456 41.206 40.800 -0.083 0.000 1.382 328 D HN -0.160 nan 8.370 nan 0.000 0.468 329 T N 1.157 115.625 114.554 -0.144 0.000 2.934 329 T HA 0.420 4.770 4.350 0.001 0.000 0.328 329 T C -0.539 174.020 174.700 -0.234 0.000 1.068 329 T CA -0.223 61.779 62.100 -0.163 0.000 1.018 329 T CB 1.790 70.600 68.868 -0.098 0.000 1.009 329 T HN -0.137 nan 8.240 nan 0.000 0.471 330 T N 2.765 117.040 114.554 -0.464 0.000 2.794 330 T HA 0.654 5.004 4.350 0.001 0.000 0.280 330 T C 0.071 174.415 174.700 -0.593 0.000 0.987 330 T CA -0.555 61.198 62.100 -0.577 0.000 0.993 330 T CB 1.613 69.964 68.868 -0.861 0.000 0.939 330 T HN 0.554 nan 8.240 nan 0.000 0.449 331 T N 2.814 117.200 114.554 -0.279 0.000 2.900 331 T HA 0.724 5.074 4.350 0.001 0.000 0.295 331 T C -0.984 173.684 174.700 -0.053 0.000 1.044 331 T CA -0.737 61.275 62.100 -0.147 0.000 0.995 331 T CB 0.525 69.337 68.868 -0.093 0.000 1.072 331 T HN 0.468 nan 8.240 nan 0.000 0.473 332 I N 4.459 125.030 120.570 0.003 0.000 2.441 332 I HA 0.559 4.729 4.170 0.001 0.000 0.295 332 I C -0.522 175.602 176.117 0.012 0.000 0.994 332 I CA -0.977 60.340 61.300 0.029 0.000 1.144 332 I CB 1.908 39.952 38.000 0.073 0.000 1.314 332 I HN 0.526 nan 8.210 nan 0.000 0.445 333 I N 4.375 124.947 120.570 0.003 0.000 2.466 333 I HA 0.243 4.414 4.170 0.001 0.000 0.289 333 I C -0.702 175.411 176.117 -0.007 0.000 1.026 333 I CA -0.471 60.827 61.300 -0.003 0.000 1.078 333 I CB 1.724 39.718 38.000 -0.009 0.000 1.249 333 I HN 0.619 nan 8.210 nan 0.000 0.429 334 D N 4.948 125.344 120.400 -0.006 0.000 2.904 334 D HA -0.143 4.498 4.640 0.001 0.000 0.231 334 D C 0.229 176.522 176.300 -0.012 0.000 1.185 334 D CA 0.909 54.903 54.000 -0.010 0.000 0.783 334 D CB -0.230 40.561 40.800 -0.014 0.000 0.961 334 D HN 0.810 nan 8.370 nan 0.000 0.409 335 G N 1.090 109.887 108.800 -0.004 0.000 2.394 335 G HA2 0.446 4.406 3.960 0.001 0.000 0.298 335 G HA3 0.446 4.406 3.960 0.001 0.000 0.298 335 G C 0.397 175.294 174.900 -0.005 0.000 1.087 335 G CA -0.519 44.579 45.100 -0.004 0.000 1.035 335 G HN 0.321 nan 8.290 nan 0.000 0.420 336 V N 2.854 122.761 119.914 -0.011 0.000 2.439 336 V HA 0.621 4.742 4.120 0.001 0.000 0.271 336 V C 1.017 177.109 176.094 -0.002 0.000 1.040 336 V CA 0.538 62.833 62.300 -0.009 0.000 1.002 336 V CB 0.420 32.234 31.823 -0.014 0.000 1.000 336 V HN 0.898 nan 8.190 nan 0.000 0.477 337 G N 3.453 112.253 108.800 0.000 0.000 2.727 337 G HA2 0.539 4.499 3.960 0.001 0.000 0.289 337 G HA3 0.539 4.499 3.960 0.001 0.000 0.289 337 G C -1.018 173.883 174.900 0.002 0.000 1.418 337 G CA -0.794 44.308 45.100 0.003 0.000 0.818 337 G HN 0.558 nan 8.290 nan 0.000 0.486 338 E N 0.558 120.760 120.200 0.003 0.000 2.480 338 E HA 0.017 4.367 4.350 0.001 0.000 0.258 338 E C 0.554 177.154 176.600 0.000 0.000 0.984 338 E CA -0.066 56.335 56.400 0.002 0.000 0.930 338 E CB 1.122 30.823 29.700 0.002 0.000 0.936 338 E HN 0.391 nan 8.360 nan 0.000 0.466 339 E N 2.169 122.369 120.200 -0.000 0.000 2.268 339 E HA -0.163 4.188 4.350 0.001 0.000 0.195 339 E C 1.475 178.074 176.600 -0.001 0.000 0.995 339 E CA 0.778 57.177 56.400 -0.001 0.000 0.836 339 E CB 0.077 29.776 29.700 -0.001 0.000 0.763 339 E HN 0.566 nan 8.360 nan 0.000 0.491 340 A N 0.202 123.021 122.820 -0.001 0.000 2.218 340 A HA 0.276 4.596 4.320 0.001 0.000 0.209 340 A C 2.026 179.609 177.584 -0.002 0.000 1.168 340 A CA 0.964 53.001 52.037 -0.002 0.000 0.804 340 A CB 0.133 19.132 19.000 -0.001 0.000 0.834 340 A HN 0.190 nan 8.150 nan 0.000 0.482 341 A N -0.468 122.351 122.820 -0.001 0.000 2.085 341 A HA 0.312 4.633 4.320 0.001 0.000 0.208 341 A C 1.828 179.411 177.584 -0.002 0.000 1.191 341 A CA 0.468 52.504 52.037 -0.002 0.000 0.799 341 A CB -0.246 18.754 19.000 -0.000 0.000 0.877 341 A HN 0.371 nan 8.150 nan 0.000 0.473 342 I N -0.714 119.855 120.570 -0.001 0.000 2.202 342 I HA -0.222 3.948 4.170 0.001 0.000 0.242 342 I C 2.578 178.693 176.117 -0.003 0.000 1.091 342 I CA 1.521 62.820 61.300 -0.001 0.000 1.368 342 I CB -0.033 37.967 38.000 -0.000 0.000 1.058 342 I HN 0.287 nan 8.210 nan 0.000 0.410 343 Q N 0.660 120.458 119.800 -0.003 0.000 2.398 343 Q HA 0.032 4.373 4.340 0.001 0.000 0.204 343 Q C 1.941 177.938 176.000 -0.005 0.000 0.932 343 Q CA 1.014 56.814 55.803 -0.004 0.000 0.916 343 Q CB -0.057 28.679 28.738 -0.004 0.000 1.024 343 Q HN 0.456 nan 8.270 nan 0.000 0.504 344 G N -0.204 108.593 108.800 -0.005 0.000 2.422 344 G HA2 -0.260 3.700 3.960 0.001 0.000 0.218 344 G HA3 -0.260 3.700 3.960 0.001 0.000 0.218 344 G C 1.538 176.434 174.900 -0.007 0.000 1.140 344 G CA 0.603 45.700 45.100 -0.005 0.000 0.775 344 G HN 0.239 nan 8.290 nan 0.000 0.545 345 R N 0.085 120.581 120.500 -0.007 0.000 2.148 345 R HA 0.065 4.406 4.340 0.001 0.000 0.223 345 R C 2.447 178.741 176.300 -0.011 0.000 1.088 345 R CA 0.790 56.884 56.100 -0.010 0.000 0.985 345 R CB -0.403 29.890 30.300 -0.011 0.000 0.880 345 R HN 0.211 nan 8.270 nan 0.000 0.451 346 V N 0.594 120.502 119.914 -0.010 0.000 2.626 346 V HA -0.133 3.987 4.120 0.001 0.000 0.252 346 V C 2.242 178.330 176.094 -0.010 0.000 1.067 346 V CA 1.599 63.893 62.300 -0.011 0.000 1.081 346 V CB -0.772 31.045 31.823 -0.009 0.000 0.686 346 V HN 0.455 nan 8.190 nan 0.000 0.468 347 A N -0.719 122.095 122.820 -0.009 0.000 1.969 347 A HA -0.235 4.085 4.320 0.001 0.000 0.218 347 A C 2.205 179.783 177.584 -0.010 0.000 1.169 347 A CA 1.533 53.565 52.037 -0.008 0.000 0.635 347 A CB -0.375 18.620 19.000 -0.007 0.000 0.810 347 A HN 0.585 nan 8.150 nan 0.000 0.445 348 Q N -0.878 118.915 119.800 -0.011 0.000 2.378 348 Q HA 0.084 4.425 4.340 0.001 0.000 0.205 348 Q C 1.564 177.555 176.000 -0.015 0.000 0.954 348 Q CA 0.778 56.573 55.803 -0.013 0.000 0.901 348 Q CB -0.065 28.665 28.738 -0.013 0.000 0.981 348 Q HN 0.806 nan 8.270 nan 0.000 0.483 349 I N -0.916 119.644 120.570 -0.017 0.000 3.030 349 I HA -0.066 4.105 4.170 0.001 0.000 0.270 349 I C 2.205 178.311 176.117 -0.019 0.000 1.211 349 I CA 0.408 61.695 61.300 -0.021 0.000 1.479 349 I CB 0.012 37.998 38.000 -0.023 0.000 1.105 349 I HN -0.004 nan 8.210 nan 0.000 0.447 350 R N 0.759 121.250 120.500 -0.015 0.000 2.210 350 R HA 0.024 4.365 4.340 0.001 0.000 0.203 350 R C 2.103 178.397 176.300 -0.011 0.000 1.010 350 R CA 0.428 56.520 56.100 -0.013 0.000 1.008 350 R CB 0.207 30.500 30.300 -0.011 0.000 0.923 350 R HN 0.258 nan 8.270 nan 0.000 0.469 351 Q N 0.063 119.857 119.800 -0.010 0.000 2.437 351 Q HA -0.120 4.220 4.340 0.001 0.000 0.210 351 Q C 1.264 177.259 176.000 -0.009 0.000 0.972 351 Q CA 0.845 56.642 55.803 -0.009 0.000 0.903 351 Q CB 0.376 29.109 28.738 -0.008 0.000 0.967 351 Q HN 0.433 nan 8.270 nan 0.000 0.486 352 Q N -0.193 119.600 119.800 -0.011 0.000 2.269 352 Q HA 0.044 4.384 4.340 0.001 0.000 0.201 352 Q C 2.101 178.096 176.000 -0.009 0.000 0.946 352 Q CA 0.424 56.221 55.803 -0.011 0.000 0.877 352 Q CB 0.051 28.779 28.738 -0.017 0.000 0.963 352 Q HN 0.435 nan 8.270 nan 0.000 0.472 353 I N 1.093 121.657 120.570 -0.011 0.000 2.202 353 I HA -0.227 3.944 4.170 0.001 0.000 0.242 353 I C 2.334 178.449 176.117 -0.004 0.000 1.091 353 I CA 1.044 62.339 61.300 -0.009 0.000 1.368 353 I CB -0.189 37.805 38.000 -0.010 0.000 1.058 353 I HN 0.101 nan 8.210 nan 0.000 0.410 354 E N 0.989 121.187 120.200 -0.004 0.000 2.077 354 E HA -0.219 4.132 4.350 0.001 0.000 0.193 354 E C 1.662 178.261 176.600 -0.001 0.000 0.989 354 E CA 1.302 57.700 56.400 -0.002 0.000 0.800 354 E CB -0.130 29.568 29.700 -0.003 0.000 0.746 354 E HN 0.582 nan 8.360 nan 0.000 0.452 355 E N 0.060 120.259 120.200 -0.001 0.000 2.465 355 E HA 0.169 4.519 4.350 0.001 0.000 0.191 355 E C -0.077 176.524 176.600 0.003 0.000 1.053 355 E CA -0.315 56.085 56.400 0.000 0.000 0.869 355 E CB 0.553 30.252 29.700 -0.001 0.000 0.977 355 E HN 0.039 nan 8.360 nan 0.000 0.483 356 A N 1.339 124.162 122.820 0.004 0.000 2.396 356 A HA 0.133 4.453 4.320 0.001 0.000 0.279 356 A C 1.302 178.893 177.584 0.013 0.000 1.165 356 A CA -0.191 51.851 52.037 0.009 0.000 0.824 356 A CB 0.100 19.103 19.000 0.006 0.000 1.100 356 A HN 0.219 nan 8.150 nan 0.000 0.516 357 T N 0.021 114.586 114.554 0.018 0.000 2.983 357 T HA 0.151 4.502 4.350 0.001 0.000 0.250 357 T C 1.036 175.751 174.700 0.026 0.000 1.037 357 T CA 0.922 63.033 62.100 0.018 0.000 1.142 357 T CB -0.140 68.737 68.868 0.016 0.000 0.876 357 T HN 0.573 nan 8.240 nan 0.000 0.455 358 S N 0.532 116.255 115.700 0.039 0.000 2.565 358 S HA 0.351 4.822 4.470 0.001 0.000 0.290 358 S C -0.056 174.586 174.600 0.071 0.000 1.150 358 S CA -0.619 57.616 58.200 0.057 0.000 1.058 358 S CB 1.216 64.460 63.200 0.073 0.000 1.032 358 S HN 0.222 nan 8.310 nan 0.000 0.510 359 D N 1.647 122.092 120.400 0.076 0.000 2.348 359 D HA 0.014 4.654 4.640 0.001 0.000 0.216 359 D C 0.974 177.330 176.300 0.094 0.000 0.970 359 D CA 0.731 54.771 54.000 0.068 0.000 0.889 359 D CB -0.066 40.768 40.800 0.057 0.000 0.912 359 D HN 0.653 nan 8.370 nan 0.000 0.524 360 Y N 1.179 121.480 120.300 0.001 0.000 2.242 360 Y HA -0.145 4.406 4.550 0.000 0.000 0.291 360 Y C 1.461 177.355 175.900 -0.010 0.000 1.137 360 Y CA 1.354 59.454 58.100 -0.000 0.000 1.181 360 Y CB 0.031 38.493 38.460 0.003 0.000 0.989 360 Y HN -0.149 nan 8.280 nan 0.000 0.527 361 D N -0.373 120.067 120.400 0.066 0.000 2.144 361 D HA -0.124 4.517 4.640 0.001 0.000 0.200 361 D C 1.778 178.041 176.300 -0.061 0.000 0.978 361 D CA 1.156 55.144 54.000 -0.019 0.000 0.833 361 D CB -0.192 40.622 40.800 0.024 0.000 0.961 361 D HN 0.167 nan 8.370 nan 0.000 0.470 362 R N 0.358 120.839 120.500 -0.032 0.000 2.325 362 R HA 0.046 4.386 4.340 0.001 0.000 0.214 362 R C 1.029 177.293 176.300 -0.061 0.000 0.961 362 R CA 0.360 56.438 56.100 -0.037 0.000 1.086 362 R CB 0.231 30.524 30.300 -0.012 0.000 1.037 362 R HN 0.243 nan 8.270 nan 0.000 0.493 363 E N -0.779 119.351 120.200 -0.117 0.000 2.207 363 E HA 0.015 4.366 4.350 0.001 0.000 0.197 363 E C 1.380 177.858 176.600 -0.203 0.000 0.914 363 E CA 0.042 56.351 56.400 -0.153 0.000 0.914 363 E CB 0.397 29.987 29.700 -0.184 0.000 0.893 363 E HN -0.001 nan 8.360 nan 0.000 0.479 364 K N 0.887 121.093 120.400 -0.324 0.000 2.116 364 K HA 0.039 4.360 4.320 0.001 0.000 0.203 364 K C 2.052 178.553 176.600 -0.166 0.000 1.052 364 K CA 0.699 56.812 56.287 -0.289 0.000 0.952 364 K CB -0.029 32.214 32.500 -0.427 0.000 0.729 364 K HN 0.159 nan 8.250 nan 0.000 0.446 365 L N 1.201 122.341 121.223 -0.138 0.000 2.599 365 L HA 0.046 4.387 4.340 0.001 0.000 0.230 365 L C 2.410 179.240 176.870 -0.066 0.000 1.141 365 L CA 0.348 55.135 54.840 -0.087 0.000 0.877 365 L CB -0.187 41.831 42.059 -0.069 0.000 1.009 365 L HN 0.136 nan 8.230 nan 0.000 0.447 366 Q N 1.027 120.783 119.800 -0.073 0.000 2.297 366 Q HA -0.088 4.252 4.340 0.001 0.000 0.203 366 Q C 1.324 177.295 176.000 -0.049 0.000 0.931 366 Q CA 1.011 56.782 55.803 -0.053 0.000 0.885 366 Q CB 0.420 29.128 28.738 -0.050 0.000 0.991 366 Q HN 0.548 nan 8.270 nan 0.000 0.498 367 E N -0.239 119.923 120.200 -0.063 0.000 2.502 367 E HA 0.026 4.377 4.350 0.001 0.000 0.194 367 E C 1.710 178.287 176.600 -0.038 0.000 1.062 367 E CA -0.169 56.202 56.400 -0.049 0.000 0.867 367 E CB 0.383 30.049 29.700 -0.058 0.000 0.888 367 E HN 0.171 nan 8.360 nan 0.000 0.510 368 R N 0.121 120.594 120.500 -0.045 0.000 2.075 368 R HA -0.042 4.298 4.340 0.001 0.000 0.220 368 R C 2.357 178.644 176.300 -0.021 0.000 1.118 368 R CA 1.246 57.326 56.100 -0.034 0.000 0.986 368 R CB -0.126 30.147 30.300 -0.045 0.000 0.884 368 R HN 0.140 nan 8.270 nan 0.000 0.439 369 V N -1.492 118.408 119.914 -0.023 0.000 3.078 369 V HA 0.022 4.142 4.120 0.001 0.000 0.265 369 V C 2.054 178.142 176.094 -0.011 0.000 1.122 369 V CA 1.547 63.837 62.300 -0.016 0.000 1.141 369 V CB -0.739 31.073 31.823 -0.018 0.000 0.735 369 V HN 0.171 nan 8.190 nan 0.000 0.498 370 A N 0.311 123.125 122.820 -0.011 0.000 2.067 370 A HA 0.035 4.355 4.320 0.001 0.000 0.217 370 A C 2.316 179.900 177.584 0.000 0.000 1.156 370 A CA 1.345 53.378 52.037 -0.006 0.000 0.683 370 A CB -0.250 18.745 19.000 -0.008 0.000 0.808 370 A HN 0.577 nan 8.150 nan 0.000 0.455 371 K N -1.018 119.386 120.400 0.006 0.000 2.202 371 K HA 0.183 4.504 4.320 0.001 0.000 0.201 371 K C 1.524 178.135 176.600 0.017 0.000 1.051 371 K CA 0.469 56.767 56.287 0.018 0.000 0.977 371 K CB -0.127 32.394 32.500 0.034 0.000 0.792 371 K HN 0.279 nan 8.250 nan 0.000 0.469 372 L N 0.795 122.024 121.223 0.009 0.000 2.007 372 L HA -0.057 4.283 4.340 0.001 0.000 0.205 372 L C 2.357 179.229 176.870 0.004 0.000 1.073 372 L CA 1.770 56.614 54.840 0.007 0.000 0.744 372 L CB -0.605 41.454 42.059 -0.000 0.000 0.898 372 L HN 0.106 nan 8.230 nan 0.000 0.435 373 A N -0.647 122.173 122.820 -0.000 0.000 2.014 373 A HA 0.035 4.355 4.320 0.001 0.000 0.218 373 A C 2.321 179.905 177.584 -0.001 0.000 1.163 373 A CA 1.281 53.317 52.037 -0.002 0.000 0.652 373 A CB -1.252 17.745 19.000 -0.004 0.000 0.808 373 A HN 0.430 nan 8.150 nan 0.000 0.449 374 G N -0.673 108.127 108.800 -0.000 0.000 2.484 374 G HA2 0.301 4.261 3.960 0.001 0.000 0.215 374 G HA3 0.301 4.261 3.960 0.001 0.000 0.215 374 G C 1.313 176.212 174.900 -0.000 0.000 1.219 374 G CA 1.170 46.269 45.100 -0.001 0.000 0.791 374 G HN 1.720 nan 8.290 nan 0.000 0.550 375 G N -1.776 107.026 108.800 0.004 0.000 2.512 375 G HA2 -0.003 3.957 3.960 0.001 0.000 0.240 375 G HA3 -0.003 3.957 3.960 0.001 0.000 0.240 375 G C -0.581 174.319 174.900 0.001 0.000 1.246 375 G CA -0.049 45.053 45.100 0.004 0.000 0.919 375 G HN 1.204 nan 8.290 nan 0.000 0.577 376 V N 0.542 120.455 119.914 -0.002 0.000 2.638 376 V HA 0.717 4.837 4.120 0.001 0.000 0.306 376 V C 0.571 176.660 176.094 -0.008 0.000 1.052 376 V CA 0.027 62.323 62.300 -0.007 0.000 0.885 376 V CB 1.569 33.388 31.823 -0.007 0.000 0.999 376 V HN 2.089 nan 8.190 nan 0.000 0.424 377 A N 4.888 127.702 122.820 -0.011 0.000 2.506 377 A HA 0.635 4.955 4.320 0.001 0.000 0.320 377 A C -0.284 177.293 177.584 -0.011 0.000 1.424 377 A CA -0.256 51.775 52.037 -0.011 0.000 1.044 377 A CB 0.082 19.074 19.000 -0.012 0.000 1.140 377 A HN 0.681 nan 8.150 nan 0.000 0.538 378 V N 4.512 124.421 119.914 -0.009 0.000 2.461 378 V HA 0.217 4.338 4.120 0.001 0.000 0.275 378 V C 0.102 176.192 176.094 -0.007 0.000 1.047 378 V CA 0.192 62.486 62.300 -0.008 0.000 0.955 378 V CB 0.843 32.661 31.823 -0.008 0.000 0.988 378 V HN 0.685 nan 8.190 nan 0.000 0.471 379 I N 5.899 126.465 120.570 -0.006 0.000 2.354 379 I HA 0.377 4.548 4.170 0.001 0.000 0.286 379 I C 0.153 176.268 176.117 -0.004 0.000 1.007 379 I CA -0.424 60.873 61.300 -0.005 0.000 1.167 379 I CB 1.053 39.051 38.000 -0.004 0.000 1.320 379 I HN 0.469 nan 8.210 nan 0.000 0.458 380 K N 6.189 126.587 120.400 -0.004 0.000 2.257 380 K HA 0.398 4.718 4.320 0.001 0.000 0.270 380 K C -0.696 175.903 176.600 -0.003 0.000 1.098 380 K CA -0.536 55.749 56.287 -0.004 0.000 0.943 380 K CB 1.432 33.929 32.500 -0.005 0.000 1.316 380 K HN 0.338 nan 8.250 nan 0.000 0.447 381 V N 2.308 122.221 119.914 -0.002 0.000 2.508 381 V HA 0.279 4.400 4.120 0.001 0.000 0.281 381 V C 0.834 176.927 176.094 -0.002 0.000 1.041 381 V CA -0.481 61.819 62.300 -0.001 0.000 1.016 381 V CB 1.043 32.866 31.823 -0.000 0.000 0.984 381 V HN 0.849 nan 8.190 nan 0.000 0.478 382 G N 2.713 111.511 108.800 -0.002 0.000 2.519 382 G HA2 0.839 4.800 3.960 0.001 0.000 0.307 382 G HA3 0.839 4.800 3.960 0.001 0.000 0.307 382 G C -0.584 174.314 174.900 -0.002 0.000 1.266 382 G CA 0.024 45.122 45.100 -0.002 0.000 0.970 382 G HN 1.067 nan 8.290 nan 0.000 0.481 383 A N -0.094 122.724 122.820 -0.002 0.000 2.681 383 A HA 0.906 5.227 4.320 0.001 0.000 0.278 383 A C 1.102 178.685 177.584 -0.002 0.000 1.272 383 A CA 0.500 52.536 52.037 -0.002 0.000 0.750 383 A CB 0.540 19.539 19.000 -0.002 0.000 1.351 383 A HN 1.695 nan 8.150 nan 0.000 0.514 384 A N -1.282 121.537 122.820 -0.002 0.000 1.924 384 A HA 0.463 4.784 4.320 0.001 0.000 0.211 384 A C 1.224 178.807 177.584 -0.002 0.000 1.198 384 A CA 2.124 54.160 52.037 -0.002 0.000 0.657 384 A CB -0.588 18.411 19.000 -0.002 0.000 0.852 384 A HN 1.521 nan 8.150 nan 0.000 0.454 385 T N -4.159 110.394 114.554 -0.002 0.000 2.693 385 T HA 0.492 4.842 4.350 0.001 0.000 0.278 385 T C 0.452 175.150 174.700 -0.002 0.000 0.994 385 T CA 0.085 62.184 62.100 -0.002 0.000 1.033 385 T CB 1.571 70.438 68.868 -0.002 0.000 1.342 385 T HN 0.104 nan 8.240 nan 0.000 0.538 386 E N -0.517 119.681 120.200 -0.002 0.000 2.230 386 E HA 0.037 4.387 4.350 0.001 0.000 0.192 386 E C 1.842 178.441 176.600 -0.003 0.000 0.987 386 E CA 0.287 56.685 56.400 -0.003 0.000 0.841 386 E CB -0.072 29.627 29.700 -0.003 0.000 0.783 386 E HN 0.460 nan 8.360 nan 0.000 0.481 387 V N 1.105 121.017 119.914 -0.002 0.000 2.626 387 V HA -0.179 3.941 4.120 0.001 0.000 0.252 387 V C 1.692 177.785 176.094 -0.003 0.000 1.067 387 V CA 1.731 64.030 62.300 -0.003 0.000 1.081 387 V CB -0.291 31.530 31.823 -0.002 0.000 0.686 387 V HN 0.245 nan 8.190 nan 0.000 0.468 388 E N -1.200 118.999 120.200 -0.002 0.000 2.307 388 E HA 0.025 4.375 4.350 0.001 0.000 0.195 388 E C 2.101 178.699 176.600 -0.002 0.000 0.975 388 E CA 0.123 56.521 56.400 -0.002 0.000 0.878 388 E CB -0.002 29.697 29.700 -0.002 0.000 0.845 388 E HN 0.358 nan 8.360 nan 0.000 0.488 389 M N 1.369 120.967 119.600 -0.002 0.000 2.064 389 M HA -0.111 4.370 4.480 0.001 0.000 0.260 389 M C 1.775 178.074 176.300 -0.002 0.000 1.073 389 M CA 1.719 57.018 55.300 -0.002 0.000 1.124 389 M CB -0.264 32.334 32.600 -0.002 0.000 1.326 389 M HN -0.140 nan 8.290 nan 0.000 0.410 390 K N -0.292 120.107 120.400 -0.002 0.000 2.362 390 K HA -0.144 4.176 4.320 0.001 0.000 0.200 390 K C 1.856 178.455 176.600 -0.002 0.000 1.046 390 K CA 0.653 56.939 56.287 -0.002 0.000 0.952 390 K CB 0.028 32.526 32.500 -0.003 0.000 0.753 390 K HN 0.366 nan 8.250 nan 0.000 0.466 391 E N 1.140 121.339 120.200 -0.002 0.000 2.060 391 E HA -0.086 4.264 4.350 0.001 0.000 0.189 391 E C 1.638 178.238 176.600 -0.001 0.000 0.974 391 E CA 0.981 57.380 56.400 -0.002 0.000 0.808 391 E CB 0.299 29.998 29.700 -0.003 0.000 0.768 391 E HN 0.163 nan 8.360 nan 0.000 0.453 392 K N 0.874 121.274 120.400 -0.001 0.000 2.002 392 K HA -0.144 4.177 4.320 0.001 0.000 0.209 392 K C 2.310 178.911 176.600 0.002 0.000 1.048 392 K CA 1.189 57.476 56.287 0.000 0.000 0.930 392 K CB -0.196 32.303 32.500 -0.000 0.000 0.714 392 K HN -0.048 nan 8.250 nan 0.000 0.438 393 K N 0.861 121.262 120.400 0.002 0.000 2.089 393 K HA -0.236 4.085 4.320 0.001 0.000 0.210 393 K C 2.014 178.618 176.600 0.006 0.000 1.048 393 K CA 1.641 57.930 56.287 0.004 0.000 0.926 393 K CB -0.154 32.347 32.500 0.002 0.000 0.714 393 K HN 0.160 nan 8.250 nan 0.000 0.448 394 A N 1.283 124.105 122.820 0.004 0.000 1.902 394 A HA -0.123 4.197 4.320 0.001 0.000 0.217 394 A C 2.051 179.638 177.584 0.005 0.000 1.181 394 A CA 1.378 53.417 52.037 0.003 0.000 0.623 394 A CB -0.418 18.581 19.000 -0.001 0.000 0.818 394 A HN 0.346 nan 8.150 nan 0.000 0.443 395 R N -0.545 119.957 120.500 0.004 0.000 2.280 395 R HA 0.006 4.346 4.340 0.001 0.000 0.207 395 R C 1.765 178.072 176.300 0.011 0.000 1.043 395 R CA 0.918 57.021 56.100 0.005 0.000 1.006 395 R CB -0.254 30.047 30.300 0.002 0.000 0.885 395 R HN 0.439 nan 8.270 nan 0.000 0.467 396 V N 0.763 120.685 119.914 0.014 0.000 2.379 396 V HA -0.184 3.937 4.120 0.001 0.000 0.245 396 V C 1.773 177.887 176.094 0.033 0.000 1.044 396 V CA 1.675 63.985 62.300 0.018 0.000 1.036 396 V CB -0.265 31.566 31.823 0.013 0.000 0.664 396 V HN 0.307 nan 8.190 nan 0.000 0.453 397 E N -0.047 120.179 120.200 0.044 0.000 2.208 397 E HA -0.188 4.162 4.350 0.001 0.000 0.193 397 E C 1.728 178.393 176.600 0.108 0.000 0.988 397 E CA 1.139 57.592 56.400 0.089 0.000 0.828 397 E CB -0.104 29.647 29.700 0.085 0.000 0.763 397 E HN 0.602 nan 8.360 nan 0.000 0.478 398 D N 0.114 120.544 120.400 0.049 0.000 2.224 398 D HA -0.054 4.586 4.640 0.001 0.000 0.205 398 D C 1.656 177.985 176.300 0.048 0.000 0.965 398 D CA 1.037 55.055 54.000 0.030 0.000 0.852 398 D CB 0.121 40.923 40.800 0.004 0.000 0.947 398 D HN 0.172 nan 8.370 nan 0.000 0.494 399 A N -0.217 122.629 122.820 0.044 0.000 1.984 399 A HA 0.076 4.396 4.320 0.001 0.000 0.214 399 A C 1.908 179.518 177.584 0.043 0.000 1.173 399 A CA 0.238 52.296 52.037 0.036 0.000 0.673 399 A CB -0.458 18.554 19.000 0.020 0.000 0.830 399 A HN 0.208 nan 8.150 nan 0.000 0.453 400 L N -0.549 120.703 121.223 0.049 0.000 1.994 400 L HA -0.186 4.154 4.340 0.001 0.000 0.208 400 L C 2.369 179.248 176.870 0.015 0.000 1.071 400 L CA 2.171 57.024 54.840 0.022 0.000 0.745 400 L CB -0.745 41.321 42.059 0.012 0.000 0.892 400 L HN 0.517 nan 8.230 nan 0.000 0.431 401 H N -0.740 118.327 119.070 -0.006 0.000 2.390 401 H HA -0.161 4.395 4.556 0.000 0.000 0.298 401 H C 2.017 177.342 175.328 -0.004 0.000 1.106 401 H CA 1.547 57.592 56.048 -0.006 0.000 1.297 401 H CB 0.028 29.785 29.762 -0.008 0.000 1.375 401 H HN 0.556 nan 8.280 nan 0.000 0.509 402 A N 0.052 122.940 122.820 0.112 0.000 1.929 402 A HA -0.106 4.215 4.320 0.001 0.000 0.216 402 A C 2.587 180.190 177.584 0.031 0.000 1.176 402 A CA 1.683 53.756 52.037 0.061 0.000 0.628 402 A CB -0.592 18.435 19.000 0.044 0.000 0.816 402 A HN 0.355 nan 8.150 nan 0.000 0.444 403 T N -0.498 114.067 114.554 0.019 0.000 2.821 403 T HA -0.087 4.264 4.350 0.001 0.000 0.267 403 T C 2.109 176.804 174.700 -0.008 0.000 1.046 403 T CA 0.991 63.093 62.100 0.004 0.000 1.139 403 T CB -0.209 68.658 68.868 -0.002 0.000 0.871 403 T HN 0.291 nan 8.240 nan 0.000 0.454 404 R N 1.252 121.737 120.500 -0.025 0.000 2.083 404 R HA 0.012 4.352 4.340 0.001 0.000 0.237 404 R C 2.645 178.935 176.300 -0.017 0.000 1.137 404 R CA 1.625 57.699 56.100 -0.042 0.000 0.951 404 R CB -0.897 29.343 30.300 -0.101 0.000 0.851 404 R HN 0.445 nan 8.270 nan 0.000 0.434 405 A N 0.288 123.110 122.820 0.003 0.000 2.014 405 A HA 0.057 4.377 4.320 0.001 0.000 0.218 405 A C 2.192 179.785 177.584 0.014 0.000 1.163 405 A CA 1.300 53.347 52.037 0.017 0.000 0.652 405 A CB -0.257 18.764 19.000 0.035 0.000 0.808 405 A HN 0.354 nan 8.150 nan 0.000 0.449 406 A N -0.654 122.173 122.820 0.011 0.000 2.066 406 A HA 0.147 4.467 4.320 0.001 0.000 0.218 406 A C 2.013 179.601 177.584 0.006 0.000 1.157 406 A CA 1.568 53.611 52.037 0.010 0.000 0.670 406 A CB -0.376 18.630 19.000 0.009 0.000 0.804 406 A HN 0.324 nan 8.150 nan 0.000 0.453 407 V N -0.551 119.364 119.914 0.002 0.000 2.575 407 V HA -0.118 4.002 4.120 0.001 0.000 0.242 407 V C 2.254 178.349 176.094 0.002 0.000 1.045 407 V CA 1.613 63.912 62.300 -0.000 0.000 1.065 407 V CB -0.557 31.262 31.823 -0.006 0.000 0.717 407 V HN 0.573 nan 8.190 nan 0.000 0.467 408 E N 0.164 120.366 120.200 0.002 0.000 2.047 408 E HA -0.176 4.175 4.350 0.001 0.000 0.191 408 E C 1.878 178.483 176.600 0.009 0.000 0.987 408 E CA 1.489 57.892 56.400 0.005 0.000 0.799 408 E CB 0.066 29.770 29.700 0.006 0.000 0.752 408 E HN 0.640 nan 8.360 nan 0.000 0.449 409 E N -1.088 119.119 120.200 0.012 0.000 2.474 409 E HA 0.209 4.559 4.350 0.001 0.000 0.215 409 E C 0.525 177.133 176.600 0.014 0.000 0.867 409 E CA 0.283 56.691 56.400 0.014 0.000 1.135 409 E CB 1.765 31.476 29.700 0.018 0.000 1.147 409 E HN 0.198 nan 8.360 nan 0.000 0.534 410 G N 1.210 110.018 108.800 0.013 0.000 2.466 410 G HA2 -0.142 3.818 3.960 0.001 0.000 0.316 410 G HA3 -0.142 3.818 3.960 0.001 0.000 0.316 410 G C -0.831 174.078 174.900 0.015 0.000 1.270 410 G CA -0.523 44.585 45.100 0.013 0.000 0.982 410 G HN 0.397 nan 8.290 nan 0.000 0.506 411 V N -2.018 117.905 119.914 0.014 0.000 2.588 411 V HA 0.891 5.011 4.120 0.001 0.000 0.304 411 V C 0.727 176.831 176.094 0.017 0.000 1.042 411 V CA -0.074 62.236 62.300 0.016 0.000 0.877 411 V CB 0.794 32.625 31.823 0.013 0.000 0.996 411 V HN 2.180 nan 8.190 nan 0.000 0.425 412 V N 1.522 121.447 119.914 0.018 0.000 3.302 412 V HA 0.988 5.109 4.120 0.001 0.000 0.316 412 V C 0.812 176.918 176.094 0.020 0.000 1.111 412 V CA -0.431 61.881 62.300 0.020 0.000 1.029 412 V CB 1.342 33.178 31.823 0.022 0.000 1.170 412 V HN 1.673 nan 8.190 nan 0.000 0.452 413 A N 0.857 123.691 122.820 0.023 0.000 2.454 413 A HA 0.646 4.966 4.320 0.001 0.000 0.260 413 A C 0.839 178.434 177.584 0.019 0.000 1.106 413 A CA 0.382 52.433 52.037 0.023 0.000 0.780 413 A CB -0.558 18.461 19.000 0.032 0.000 1.044 413 A HN 1.705 nan 8.150 nan 0.000 0.498 414 G N 0.919 109.726 108.800 0.011 0.000 2.486 414 G HA2 0.488 4.448 3.960 0.001 0.000 0.272 414 G HA3 0.488 4.448 3.960 0.001 0.000 0.272 414 G C 1.187 176.092 174.900 0.008 0.000 1.426 414 G CA 0.032 45.137 45.100 0.008 0.000 1.058 414 G HN 2.243 nan 8.290 nan 0.000 0.531 415 G N -2.367 106.437 108.800 0.006 0.000 2.155 415 G HA2 0.203 4.164 3.960 0.001 0.000 0.257 415 G HA3 0.203 4.164 3.960 0.001 0.000 0.257 415 G C 1.528 176.443 174.900 0.026 0.000 0.983 415 G CA 1.108 46.216 45.100 0.014 0.000 0.676 415 G HN 2.517 nan 8.290 nan 0.000 0.528 416 G N -2.074 106.740 108.800 0.022 0.000 2.153 416 G HA2 -0.084 3.876 3.960 0.001 0.000 0.252 416 G HA3 -0.084 3.876 3.960 0.001 0.000 0.252 416 G C 1.779 176.696 174.900 0.029 0.000 0.994 416 G CA 1.960 47.075 45.100 0.024 0.000 0.698 416 G HN 2.247 nan 8.290 nan 0.000 0.521 417 V N -2.851 117.082 119.914 0.031 0.000 2.951 417 V HA 0.457 4.577 4.120 0.001 0.000 0.255 417 V C 2.735 178.852 176.094 0.039 0.000 1.088 417 V CA 1.647 63.970 62.300 0.039 0.000 1.109 417 V CB -0.565 31.283 31.823 0.042 0.000 0.724 417 V HN 1.295 nan 8.190 nan 0.000 0.471 418 A N 1.312 124.152 122.820 0.033 0.000 1.883 418 A HA -0.098 4.223 4.320 0.001 0.000 0.217 418 A C 2.201 179.803 177.584 0.030 0.000 1.186 418 A CA 2.414 54.470 52.037 0.031 0.000 0.624 418 A CB -0.736 18.280 19.000 0.027 0.000 0.822 418 A HN 0.591 nan 8.150 nan 0.000 0.444 419 L N -1.071 120.169 121.223 0.028 0.000 2.056 419 L HA -0.043 4.297 4.340 0.001 0.000 0.207 419 L C 2.447 179.334 176.870 0.027 0.000 1.078 419 L CA 1.155 56.010 54.840 0.026 0.000 0.749 419 L CB -0.324 41.749 42.059 0.024 0.000 0.901 419 L HN 0.436 nan 8.230 nan 0.000 0.433 420 I N -0.545 120.043 120.570 0.031 0.000 2.676 420 I HA -0.229 3.941 4.170 0.001 0.000 0.259 420 I C 2.640 178.780 176.117 0.038 0.000 1.194 420 I CA 0.641 61.961 61.300 0.033 0.000 1.473 420 I CB 0.069 38.092 38.000 0.037 0.000 1.096 420 I HN 0.173 nan 8.210 nan 0.000 0.443 421 R N 0.039 120.563 120.500 0.040 0.000 2.093 421 R HA -0.028 4.312 4.340 0.001 0.000 0.224 421 R C 1.978 178.298 176.300 0.032 0.000 1.101 421 R CA 1.352 57.477 56.100 0.042 0.000 0.979 421 R CB -0.674 29.655 30.300 0.047 0.000 0.877 421 R HN 0.188 nan 8.270 nan 0.000 0.441 422 V N 0.830 120.761 119.914 0.028 0.000 2.407 422 V HA -0.187 3.933 4.120 0.001 0.000 0.248 422 V C 2.271 178.377 176.094 0.020 0.000 1.055 422 V CA 1.809 64.123 62.300 0.022 0.000 1.049 422 V CB -0.808 31.027 31.823 0.020 0.000 0.662 422 V HN 0.474 nan 8.190 nan 0.000 0.455 423 A N 0.824 123.657 122.820 0.021 0.000 1.883 423 A HA -0.249 4.071 4.320 0.001 0.000 0.217 423 A C 2.535 180.130 177.584 0.018 0.000 1.186 423 A CA 2.533 54.581 52.037 0.019 0.000 0.624 423 A CB -0.824 18.188 19.000 0.020 0.000 0.822 423 A HN 0.704 nan 8.150 nan 0.000 0.444 424 S N -0.701 115.012 115.700 0.021 0.000 2.453 424 S HA -0.041 4.430 4.470 0.001 0.000 0.231 424 S C 1.580 176.189 174.600 0.016 0.000 1.005 424 S CA 1.296 59.508 58.200 0.019 0.000 0.949 424 S CB -0.221 62.993 63.200 0.024 0.000 0.774 424 S HN 0.590 nan 8.310 nan 0.000 0.510 425 K N 0.363 120.773 120.400 0.017 0.000 2.426 425 K HA 0.348 4.668 4.320 0.001 0.000 0.193 425 K C 0.627 177.234 176.600 0.011 0.000 1.028 425 K CA 0.216 56.511 56.287 0.014 0.000 1.047 425 K CB 0.036 32.545 32.500 0.016 0.000 0.821 425 K HN 0.384 nan 8.250 nan 0.000 0.513 426 L N -0.240 120.990 121.223 0.011 0.000 3.066 426 L HA 0.256 4.597 4.340 0.001 0.000 0.265 426 L C 1.404 178.279 176.870 0.008 0.000 1.232 426 L CA -0.189 54.656 54.840 0.009 0.000 1.031 426 L CB 0.602 42.666 42.059 0.009 0.000 1.379 426 L HN 0.031 nan 8.230 nan 0.000 0.563 427 A N -0.508 122.317 122.820 0.008 0.000 2.067 427 A HA -0.134 4.187 4.320 0.001 0.000 0.219 427 A C 1.529 179.117 177.584 0.006 0.000 1.158 427 A CA 1.296 53.338 52.037 0.007 0.000 0.661 427 A CB -0.130 18.874 19.000 0.008 0.000 0.801 427 A HN 0.287 nan 8.150 nan 0.000 0.452 428 D N -1.015 119.388 120.400 0.005 0.000 2.339 428 D HA 0.126 4.766 4.640 0.001 0.000 0.217 428 D C 0.184 176.487 176.300 0.004 0.000 1.050 428 D CA -0.053 53.949 54.000 0.004 0.000 0.856 428 D CB -0.043 40.759 40.800 0.004 0.000 0.922 428 D HN 0.337 nan 8.370 nan 0.000 0.518 429 L N 1.704 122.929 121.223 0.004 0.000 2.410 429 L HA 0.158 4.498 4.340 0.001 0.000 0.273 429 L C 0.098 176.970 176.870 0.003 0.000 1.152 429 L CA 0.430 55.272 54.840 0.004 0.000 0.855 429 L CB 0.231 42.292 42.059 0.004 0.000 1.129 429 L HN -0.243 nan 8.230 nan 0.000 0.463 430 R N 3.030 123.532 120.500 0.003 0.000 2.837 430 R HA 0.636 4.976 4.340 0.001 0.000 0.271 430 R C -0.048 176.253 176.300 0.002 0.000 0.993 430 R CA -0.276 55.826 56.100 0.002 0.000 0.931 430 R CB 1.497 31.799 30.300 0.002 0.000 1.206 430 R HN 0.807 nan 8.270 nan 0.000 0.474 431 G N -0.106 108.695 108.800 0.002 0.000 3.075 431 G HA2 0.139 4.099 3.960 0.001 0.000 0.156 431 G HA3 0.139 4.099 3.960 0.001 0.000 0.156 431 G C 0.205 175.106 174.900 0.001 0.000 1.403 431 G CA 0.047 45.148 45.100 0.001 0.000 1.033 431 G HN 0.441 nan 8.290 nan 0.000 0.589 432 Q N -0.683 119.117 119.800 0.001 0.000 2.442 432 Q HA 0.165 4.505 4.340 0.001 0.000 0.228 432 Q C 0.013 176.013 176.000 0.001 0.000 0.902 432 Q CA 0.279 56.083 55.803 0.001 0.000 0.933 432 Q CB 0.458 29.196 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.297 117.404 118.700 0.001 0.000 2.629 433 N HA 0.067 4.808 4.740 0.001 0.000 0.279 433 N C 0.128 175.639 175.510 0.002 0.000 1.344 433 N CA -0.483 52.568 53.050 0.001 0.000 0.789 433 N CB 0.526 39.014 38.487 0.001 0.000 1.508 433 N HN -0.260 nan 8.380 nan 0.000 0.516 434 E N -0.335 119.866 120.200 0.002 0.000 2.118 434 E HA -0.184 4.166 4.350 0.001 0.000 0.195 434 E C 0.417 177.019 176.600 0.002 0.000 0.992 434 E CA 1.714 58.115 56.400 0.002 0.000 0.804 434 E CB -0.323 29.378 29.700 0.001 0.000 0.741 434 E HN 0.594 nan 8.360 nan 0.000 0.458 435 D N -0.068 120.333 120.400 0.002 0.000 2.144 435 D HA -0.145 4.495 4.640 0.001 0.000 0.199 435 D C 1.863 178.165 176.300 0.003 0.000 0.984 435 D CA 0.903 54.905 54.000 0.003 0.000 0.834 435 D CB -0.198 40.604 40.800 0.003 0.000 0.955 435 D HN 0.388 nan 8.370 nan 0.000 0.465 436 Q N 0.066 119.868 119.800 0.003 0.000 2.123 436 Q HA -0.065 4.275 4.340 0.001 0.000 0.199 436 Q C 1.786 177.787 176.000 0.003 0.000 0.966 436 Q CA 0.550 56.355 55.803 0.002 0.000 0.845 436 Q CB 0.039 28.778 28.738 0.002 0.000 0.907 436 Q HN 0.237 nan 8.270 nan 0.000 0.439 437 N N 0.143 118.844 118.700 0.002 0.000 2.166 437 N HA -0.128 4.613 4.740 0.001 0.000 0.186 437 N C 1.818 177.330 175.510 0.003 0.000 1.019 437 N CA 1.066 54.118 53.050 0.003 0.000 0.856 437 N CB -0.163 38.325 38.487 0.002 0.000 0.993 437 N HN 0.063 nan 8.380 nan 0.000 0.426 438 V N 0.584 120.499 119.914 0.003 0.000 2.453 438 V HA -0.071 4.050 4.120 0.001 0.000 0.247 438 V C 2.441 178.538 176.094 0.004 0.000 1.048 438 V CA 1.734 64.036 62.300 0.004 0.000 1.049 438 V CB -1.147 30.678 31.823 0.004 0.000 0.672 438 V HN 0.302 nan 8.190 nan 0.000 0.457 439 G N 0.324 109.126 108.800 0.004 0.000 2.442 439 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 439 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 439 G C 1.549 176.452 174.900 0.004 0.000 1.141 439 G CA 1.155 46.258 45.100 0.004 0.000 0.763 439 G HN 0.513 nan 8.290 nan 0.000 0.554 440 I N 0.187 120.759 120.570 0.004 0.000 2.233 440 I HA -0.081 4.089 4.170 0.001 0.000 0.243 440 I C 2.589 178.710 176.117 0.005 0.000 1.093 440 I CA 0.910 62.213 61.300 0.004 0.000 1.380 440 I CB -0.086 37.916 38.000 0.004 0.000 1.067 440 I HN -0.059 nan 8.210 nan 0.000 0.413 441 K N 0.612 121.016 120.400 0.005 0.000 2.209 441 K HA -0.058 4.263 4.320 0.001 0.000 0.204 441 K C 2.133 178.737 176.600 0.006 0.000 1.048 441 K CA 0.928 57.218 56.287 0.006 0.000 0.940 441 K CB -0.496 32.007 32.500 0.005 0.000 0.729 441 K HN 0.224 nan 8.250 nan 0.000 0.451 442 V N 1.437 121.355 119.914 0.006 0.000 2.307 442 V HA -0.221 3.900 4.120 0.001 0.000 0.245 442 V C 2.435 178.534 176.094 0.008 0.000 1.045 442 V CA 1.980 64.284 62.300 0.007 0.000 1.024 442 V CB -0.667 31.160 31.823 0.007 0.000 0.651 442 V HN 0.283 nan 8.190 nan 0.000 0.449 443 A N -0.485 122.340 122.820 0.008 0.000 1.930 443 A HA -0.100 4.221 4.320 0.001 0.000 0.217 443 A C 2.168 179.758 177.584 0.010 0.000 1.175 443 A CA 1.530 53.572 52.037 0.009 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 -1.380 119.849 121.223 0.009 0.000 2.156 444 L HA -0.067 4.273 4.340 0.001 0.000 0.208 444 L C 2.667 179.543 176.870 0.011 0.000 1.095 444 L CA 0.949 55.796 54.840 0.011 0.000 0.770 444 L CB -0.360 41.705 42.059 0.010 0.000 0.914 444 L HN 0.300 nan 8.230 nan 0.000 0.439 445 R N -0.219 120.286 120.500 0.010 0.000 2.276 445 R HA 0.037 4.377 4.340 0.001 0.000 0.203 445 R C 2.197 178.503 176.300 0.010 0.000 1.017 445 R CA 0.766 56.872 56.100 0.009 0.000 1.010 445 R CB -0.075 30.230 30.300 0.008 0.000 0.900 445 R HN 0.297 nan 8.270 nan 0.000 0.469 446 A N 0.462 123.289 122.820 0.011 0.000 2.021 446 A HA -0.044 4.277 4.320 0.001 0.000 0.216 446 A C 1.928 179.520 177.584 0.014 0.000 1.163 446 A CA 0.653 52.697 52.037 0.012 0.000 0.676 446 A CB -0.111 18.897 19.000 0.013 0.000 0.818 446 A HN 0.150 nan 8.150 nan 0.000 0.453 447 M N -0.474 119.134 119.600 0.015 0.000 2.476 447 M HA -0.068 4.412 4.480 0.001 0.000 0.262 447 M C 1.589 177.900 176.300 0.017 0.000 1.079 447 M CA 0.955 56.265 55.300 0.017 0.000 1.104 447 M CB -0.154 32.457 32.600 0.018 0.000 1.409 447 M HN 0.432 nan 8.290 nan 0.000 0.467 448 E N 0.374 120.582 120.200 0.015 0.000 2.216 448 E HA -0.064 4.286 4.350 0.001 0.000 0.192 448 E C 2.143 178.749 176.600 0.010 0.000 0.988 448 E CA 0.822 57.231 56.400 0.014 0.000 0.834 448 E CB -0.037 29.670 29.700 0.012 0.000 0.772 448 E HN 0.517 nan 8.360 nan 0.000 0.479 449 A N 2.187 125.012 122.820 0.010 0.000 1.902 449 A HA -0.114 4.206 4.320 0.001 0.000 0.217 449 A C -0.332 177.256 177.584 0.007 0.000 1.181 449 A CA 1.116 53.157 52.037 0.007 0.000 0.623 449 A CB -1.375 17.630 19.000 0.008 0.000 0.818 449 A HN 0.127 nan 8.150 nan 0.000 0.443 450 P HA -0.184 nan 4.420 nan 0.000 0.214 450 P C 1.803 179.109 177.300 0.011 0.000 1.163 450 P CA 1.052 64.159 63.100 0.012 0.000 0.889 450 P CB -0.134 31.576 31.700 0.016 0.000 0.790 451 L N -0.709 120.522 121.223 0.013 0.000 1.989 451 L HA -0.191 4.149 4.340 0.001 0.000 0.211 451 L C 2.513 179.382 176.870 -0.002 0.000 1.071 451 L CA 1.790 56.638 54.840 0.014 0.000 0.749 451 L CB -0.366 41.704 42.059 0.019 0.000 0.890 451 L HN -0.202 nan 8.230 nan 0.000 0.431 452 R N -0.866 119.629 120.500 -0.007 0.000 2.127 452 R HA -0.241 4.099 4.340 0.001 0.000 0.238 452 R C 2.293 178.582 176.300 -0.018 0.000 1.134 452 R CA 1.682 57.771 56.100 -0.019 0.000 0.975 452 R CB -0.281 30.012 30.300 -0.012 0.000 0.865 452 R HN 0.410 nan 8.270 nan 0.000 0.447 453 Q N 0.767 120.563 119.800 -0.007 0.000 2.123 453 Q HA -0.017 4.324 4.340 0.001 0.000 0.199 453 Q C 1.791 177.791 176.000 -0.001 0.000 0.966 453 Q CA 1.305 57.106 55.803 -0.004 0.000 0.845 453 Q CB 0.047 28.785 28.738 0.001 0.000 0.907 453 Q HN 0.335 nan 8.270 nan 0.000 0.439 454 I N -0.797 119.776 120.570 0.005 0.000 2.252 454 I HA -0.228 3.942 4.170 0.001 0.000 0.245 454 I C 1.917 178.046 176.117 0.020 0.000 1.102 454 I CA 0.751 62.062 61.300 0.018 0.000 1.385 454 I CB -0.273 37.748 38.000 0.034 0.000 1.064 454 I HN 0.012 nan 8.210 nan 0.000 0.414 455 V N 0.686 120.593 119.914 -0.012 0.000 2.427 455 V HA -0.248 3.873 4.120 0.001 0.000 0.248 455 V C 2.387 178.454 176.094 -0.044 0.000 1.051 455 V CA 1.417 63.678 62.300 -0.065 0.000 1.048 455 V CB -0.508 31.211 31.823 -0.174 0.000 0.666 455 V HN 0.346 nan 8.190 nan 0.000 0.456 456 L N 0.947 122.152 121.223 -0.029 0.000 2.046 456 L HA -0.123 4.217 4.340 0.001 0.000 0.208 456 L C 2.150 179.015 176.870 -0.008 0.000 1.077 456 L CA 1.908 56.736 54.840 -0.020 0.000 0.747 456 L CB -0.781 41.269 42.059 -0.015 0.000 0.896 456 L HN 0.329 nan 8.230 nan 0.000 0.432 457 N N -1.535 117.164 118.700 -0.001 0.000 2.309 457 N HA -0.176 4.564 4.740 0.001 0.000 0.182 457 N C 1.829 177.346 175.510 0.011 0.000 1.018 457 N CA 1.354 54.407 53.050 0.005 0.000 0.876 457 N CB -0.975 37.515 38.487 0.006 0.000 0.972 457 N HN 0.455 nan 8.380 nan 0.000 0.434 458 C N -0.102 119.211 119.300 0.021 0.000 2.522 458 C HA 0.300 4.760 4.460 0.001 0.000 0.271 458 C C 1.818 176.823 174.990 0.025 0.000 1.425 458 C CA 0.803 59.845 59.018 0.040 0.000 1.751 458 C CB -1.577 26.223 27.740 0.100 0.000 1.775 458 C HN 0.636 nan 8.230 nan 0.000 0.557 459 G N 0.405 109.209 108.800 0.007 0.000 2.253 459 G HA2 -0.182 3.778 3.960 0.001 0.000 0.251 459 G HA3 -0.182 3.778 3.960 0.001 0.000 0.251 459 G C 0.024 174.918 174.900 -0.008 0.000 0.998 459 G CA 0.403 45.504 45.100 0.001 0.000 0.621 459 G HN 0.576 nan 8.290 nan 0.000 0.524 460 E N 1.333 121.521 120.200 -0.020 0.000 2.374 460 E HA 0.334 4.684 4.350 0.001 0.000 0.260 460 E C 0.371 176.932 176.600 -0.066 0.000 1.101 460 E CA -0.269 56.102 56.400 -0.048 0.000 0.907 460 E CB 0.482 30.124 29.700 -0.096 0.000 1.014 460 E HN 0.593 nan 8.360 nan 0.000 0.427 461 E N 3.092 123.258 120.200 -0.057 0.000 2.265 461 E HA 0.004 4.354 4.350 0.001 0.000 0.272 461 E C -1.396 175.160 176.600 -0.073 0.000 1.067 461 E CA -1.359 55.012 56.400 -0.049 0.000 0.900 461 E CB 0.678 30.360 29.700 -0.028 0.000 1.017 461 E HN 0.229 nan 8.360 nan 0.000 0.431 462 P HA -0.202 nan 4.420 nan 0.000 0.217 462 P C 1.112 178.380 177.300 -0.053 0.000 1.150 462 P CA 1.189 64.246 63.100 -0.072 0.000 0.832 462 P CB 0.233 31.905 31.700 -0.046 0.000 0.787 463 S N 0.036 115.716 115.700 -0.033 0.000 2.370 463 S HA -0.115 4.355 4.470 0.001 0.000 0.226 463 S C 2.161 176.751 174.600 -0.015 0.000 1.033 463 S CA 1.534 59.723 58.200 -0.019 0.000 1.011 463 S CB -1.880 61.312 63.200 -0.013 0.000 0.852 463 S HN -0.010 nan 8.310 nan 0.000 0.457 464 V N 1.647 121.549 119.914 -0.020 0.000 2.307 464 V HA -0.102 4.018 4.120 0.001 0.000 0.245 464 V C 2.599 178.696 176.094 0.004 0.000 1.045 464 V CA 1.472 63.769 62.300 -0.006 0.000 1.024 464 V CB -0.828 30.993 31.823 -0.003 0.000 0.651 464 V HN 0.421 nan 8.190 nan 0.000 0.449 465 V N 0.363 120.256 119.914 -0.035 0.000 2.307 465 V HA -0.198 3.922 4.120 0.001 0.000 0.245 465 V C 2.734 178.844 176.094 0.027 0.000 1.045 465 V CA 1.917 64.201 62.300 -0.027 0.000 1.024 465 V CB -1.084 30.546 31.823 -0.322 0.000 0.651 465 V HN 0.539 nan 8.190 nan 0.000 0.449 466 A N 0.247 123.062 122.820 -0.009 0.000 1.933 466 A HA -0.285 4.035 4.320 0.001 0.000 0.218 466 A C 2.035 179.640 177.584 0.035 0.000 1.175 466 A CA 2.341 54.388 52.037 0.017 0.000 0.628 466 A CB -0.848 18.153 19.000 0.002 0.000 0.814 466 A HN 0.605 nan 8.150 nan 0.000 0.444 467 N N -0.760 117.955 118.700 0.025 0.000 2.244 467 N HA -0.094 4.646 4.740 0.001 0.000 0.183 467 N C 1.575 177.105 175.510 0.033 0.000 1.016 467 N CA 1.949 55.013 53.050 0.024 0.000 0.866 467 N CB -0.180 38.314 38.487 0.011 0.000 0.980 467 N HN 0.439 nan 8.380 nan 0.000 0.430 468 T N -1.102 113.477 114.554 0.043 0.000 2.896 468 T HA 0.006 4.356 4.350 0.001 0.000 0.263 468 T C 1.932 176.710 174.700 0.130 0.000 1.050 468 T CA 0.704 62.822 62.100 0.029 0.000 1.140 468 T CB -0.201 68.618 68.868 -0.082 0.000 0.877 468 T HN -0.021 nan 8.240 nan 0.000 0.457 469 V N 1.597 121.606 119.914 0.160 0.000 2.427 469 V HA -0.120 4.000 4.120 0.001 0.000 0.248 469 V C 2.455 178.658 176.094 0.181 0.000 1.051 469 V CA 1.439 63.862 62.300 0.205 0.000 1.048 469 V CB -0.463 31.442 31.823 0.137 0.000 0.666 469 V HN 0.438 nan 8.190 nan 0.000 0.456 470 K N 0.196 120.660 120.400 0.108 0.000 2.148 470 K HA -0.068 4.252 4.320 0.001 0.000 0.204 470 K C 2.240 178.876 176.600 0.060 0.000 1.050 470 K CA 1.262 57.594 56.287 0.075 0.000 0.942 470 K CB -0.496 32.032 32.500 0.047 0.000 0.724 470 K HN 0.558 nan 8.250 nan 0.000 0.446 471 G N 1.235 110.066 108.800 0.052 0.000 2.402 471 G HA2 -0.122 3.838 3.960 0.001 0.000 0.216 471 G HA3 -0.122 3.838 3.960 0.001 0.000 0.216 471 G C 0.761 175.653 174.900 -0.013 0.000 1.162 471 G CA 0.668 45.776 45.100 0.012 0.000 0.777 471 G HN 0.371 nan 8.290 nan 0.000 0.539 472 G N -0.620 108.179 108.800 -0.000 0.000 2.572 472 G HA2 0.468 4.429 3.960 0.001 0.000 0.261 472 G HA3 0.468 4.429 3.960 0.001 0.000 0.261 472 G C -1.073 173.840 174.900 0.022 0.000 1.197 472 G CA -0.361 44.673 45.100 -0.110 0.000 0.870 472 G HN 0.137 nan 8.290 nan 0.000 0.548 473 D N -0.985 119.404 120.400 -0.018 0.000 2.419 473 D HA 0.614 5.255 4.640 0.001 0.000 0.234 473 D C 0.821 177.164 176.300 0.072 0.000 1.014 473 D CA 0.945 54.967 54.000 0.036 0.000 0.919 473 D CB 1.912 42.714 40.800 0.003 0.000 1.366 473 D HN 0.880 nan 8.370 nan 0.000 0.490 474 G N 1.362 110.208 108.800 0.076 0.000 2.496 474 G HA2 -0.257 3.703 3.960 0.001 0.000 0.243 474 G HA3 -0.257 3.703 3.960 0.001 0.000 0.243 474 G C 0.079 175.043 174.900 0.107 0.000 1.176 474 G CA -0.359 44.788 45.100 0.079 0.000 0.940 474 G HN 0.591 nan 8.290 nan 0.000 0.573 475 N N 0.498 119.264 118.700 0.110 0.000 2.346 475 N HA 0.177 4.917 4.740 0.001 0.000 0.225 475 N C -0.278 175.320 175.510 0.146 0.000 1.144 475 N CA -0.033 53.079 53.050 0.103 0.000 0.837 475 N CB 0.327 38.856 38.487 0.070 0.000 1.069 475 N HN 0.444 nan 8.380 nan 0.000 0.487 476 Y N 1.136 121.467 120.300 0.052 0.000 2.393 476 Y HA 0.427 4.978 4.550 0.001 0.000 0.338 476 Y C 0.446 176.413 175.900 0.111 0.000 1.029 476 Y CA -0.221 57.924 58.100 0.075 0.000 1.239 476 Y CB 0.477 38.974 38.460 0.060 0.000 1.170 476 Y HN -0.012 nan 8.280 nan 0.000 0.515 477 G N 4.180 112.791 108.800 -0.316 0.000 2.870 477 G HA2 0.260 4.220 3.960 0.001 0.000 0.299 477 G HA3 0.260 4.220 3.960 0.001 0.000 0.299 477 G C -2.429 172.378 174.900 -0.156 0.000 1.324 477 G CA -0.897 44.087 45.100 -0.193 0.000 0.808 477 G HN 0.524 nan 8.290 nan 0.000 0.535 478 Y N 1.252 121.432 120.300 -0.200 0.000 2.335 478 Y HA 0.583 5.133 4.550 0.000 0.000 0.338 478 Y C -0.261 175.495 175.900 -0.241 0.000 0.977 478 Y CA -1.229 56.672 58.100 -0.332 0.000 1.114 478 Y CB 1.650 39.901 38.460 -0.348 0.000 1.182 478 Y HN 0.416 nan 8.280 nan 0.000 0.463 479 N N 4.566 122.784 118.700 -0.804 0.000 2.437 479 N HA 0.238 4.978 4.740 0.001 0.000 0.243 479 N C 0.270 175.256 175.510 -0.873 0.000 1.041 479 N CA 0.497 53.183 53.050 -0.606 0.000 0.940 479 N CB 1.571 39.815 38.487 -0.405 0.000 1.133 479 N HN 0.913 nan 8.380 nan 0.000 0.506 480 A N 3.704 126.259 122.820 -0.442 0.000 2.014 480 A HA 0.049 4.370 4.320 0.001 0.000 0.218 480 A C 1.981 179.471 177.584 -0.156 0.000 1.163 480 A CA 1.416 53.341 52.037 -0.187 0.000 0.652 480 A CB -0.421 18.610 19.000 0.052 0.000 0.808 480 A HN 0.699 nan 8.150 nan 0.000 0.449 481 A N -0.207 122.517 122.820 -0.161 0.000 1.898 481 A HA -0.057 4.263 4.320 0.001 0.000 0.216 481 A C 2.287 179.797 177.584 -0.123 0.000 1.181 481 A CA 2.292 54.263 52.037 -0.110 0.000 0.620 481 A CB -0.920 18.026 19.000 -0.090 0.000 0.819 481 A HN 0.725 nan 8.150 nan 0.000 0.442 482 T N -3.889 110.555 114.554 -0.184 0.000 3.040 482 T HA 0.268 4.618 4.350 0.001 0.000 0.250 482 T C 0.306 174.894 174.700 -0.188 0.000 1.058 482 T CA 0.657 62.662 62.100 -0.157 0.000 0.988 482 T CB -0.175 68.608 68.868 -0.143 0.000 0.993 482 T HN 0.571 nan 8.240 nan 0.000 0.519 483 E N 1.032 121.049 120.200 -0.305 0.000 2.586 483 E HA -0.142 4.208 4.350 0.001 0.000 0.259 483 E C -0.737 175.663 176.600 -0.332 0.000 1.107 483 E CA 0.543 56.764 56.400 -0.298 0.000 0.754 483 E CB -0.993 28.681 29.700 -0.044 0.000 1.335 483 E HN 0.640 nan 8.360 nan 0.000 0.411 484 E N -0.211 119.706 120.200 -0.472 0.000 2.212 484 E HA 0.356 4.706 4.350 0.001 0.000 0.268 484 E C -0.460 175.897 176.600 -0.405 0.000 0.902 484 E CA -0.619 55.613 56.400 -0.281 0.000 0.779 484 E CB 1.060 30.675 29.700 -0.140 0.000 1.172 484 E HN 0.053 nan 8.360 nan 0.000 0.409 485 Y N 0.186 120.438 120.300 -0.080 0.000 2.326 485 Y HA 0.564 5.115 4.550 0.001 0.000 0.324 485 Y C 1.245 177.100 175.900 -0.074 0.000 1.291 485 Y CA 0.612 58.647 58.100 -0.107 0.000 1.348 485 Y CB 1.559 40.016 38.460 -0.004 0.000 1.294 485 Y HN 0.699 nan 8.280 nan 0.000 0.525 486 G N 0.556 109.381 108.800 0.041 0.000 2.356 486 G HA2 -0.074 3.886 3.960 0.001 0.000 0.288 486 G HA3 -0.074 3.886 3.960 0.001 0.000 0.288 486 G C -1.813 173.144 174.900 0.095 0.000 1.302 486 G CA -1.246 43.938 45.100 0.140 0.000 0.887 486 G HN 0.541 nan 8.290 nan 0.000 0.521 487 N N 0.921 119.697 118.700 0.128 0.000 2.452 487 N HA 0.099 4.840 4.740 0.001 0.000 0.266 487 N C 1.724 177.255 175.510 0.036 0.000 1.209 487 N CA -0.314 52.794 53.050 0.097 0.000 0.929 487 N CB 0.734 39.273 38.487 0.088 0.000 1.063 487 N HN 0.396 nan 8.380 nan 0.000 0.472 488 M N 3.651 123.266 119.600 0.024 0.000 2.132 488 M HA -0.115 4.366 4.480 0.001 0.000 0.263 488 M C 1.736 178.038 176.300 0.003 0.000 1.065 488 M CA 0.935 56.234 55.300 -0.002 0.000 1.122 488 M CB -0.636 31.963 32.600 -0.002 0.000 1.365 488 M HN 0.526 nan 8.290 nan 0.000 0.411 489 I N 0.809 121.389 120.570 0.017 0.000 2.208 489 I HA -0.274 3.896 4.170 0.001 0.000 0.245 489 I C 1.820 177.944 176.117 0.010 0.000 1.097 489 I CA 1.512 62.820 61.300 0.014 0.000 1.363 489 I CB -1.657 36.355 38.000 0.020 0.000 1.051 489 I HN 0.249 nan 8.210 nan 0.000 0.413 490 D N 0.340 120.750 120.400 0.015 0.000 2.219 490 D HA -0.119 4.522 4.640 0.001 0.000 0.205 490 D C 2.183 178.485 176.300 0.002 0.000 0.970 490 D CA 0.992 54.999 54.000 0.012 0.000 0.851 490 D CB -0.079 40.734 40.800 0.021 0.000 0.943 490 D HN 0.346 nan 8.370 nan 0.000 0.488 491 M N -0.856 118.741 119.600 -0.005 0.000 2.561 491 M HA 0.136 4.616 4.480 0.001 0.000 0.238 491 M C 1.104 177.390 176.300 -0.023 0.000 1.131 491 M CA 0.375 55.662 55.300 -0.021 0.000 1.046 491 M CB 0.692 33.268 32.600 -0.039 0.000 1.532 491 M HN 0.093 nan 8.290 nan 0.000 0.497 492 G N 1.710 110.502 108.800 -0.014 0.000 2.162 492 G HA2 -0.261 3.699 3.960 0.001 0.000 0.260 492 G HA3 -0.261 3.699 3.960 0.001 0.000 0.260 492 G C 0.133 175.024 174.900 -0.015 0.000 0.976 492 G CA -0.201 44.892 45.100 -0.012 0.000 0.655 492 G HN 0.483 nan 8.290 nan 0.000 0.533 493 I N 1.523 122.081 120.570 -0.020 0.000 2.294 493 I HA 0.486 4.656 4.170 0.001 0.000 0.295 493 I C 0.272 176.383 176.117 -0.009 0.000 1.098 493 I CA -0.513 60.774 61.300 -0.022 0.000 1.277 493 I CB 0.327 38.304 38.000 -0.037 0.000 1.434 493 I HN 0.259 nan 8.210 nan 0.000 0.498 494 L N 4.019 125.240 121.223 -0.004 0.000 2.466 494 L HA 0.710 5.051 4.340 0.001 0.000 0.258 494 L C -1.393 175.481 176.870 0.007 0.000 0.973 494 L CA -0.828 54.015 54.840 0.004 0.000 0.826 494 L CB 1.653 43.715 42.059 0.006 0.000 1.372 494 L HN 0.095 nan 8.230 nan 0.000 0.409 495 D N 1.123 121.530 120.400 0.011 0.000 2.375 495 D HA 0.482 5.122 4.640 0.001 0.000 0.247 495 D C -2.704 173.607 176.300 0.018 0.000 1.061 495 D CA -1.277 52.731 54.000 0.014 0.000 0.834 495 D CB 2.314 43.123 40.800 0.016 0.000 1.247 495 D HN 0.372 nan 8.370 nan 0.000 0.489 496 P HA 0.033 nan 4.420 nan 0.000 0.264 496 P C 0.904 178.219 177.300 0.025 0.000 1.193 496 P CA 0.058 63.172 63.100 0.023 0.000 0.763 496 P CB 0.603 32.319 31.700 0.027 0.000 0.810 497 T N 2.587 117.155 114.554 0.023 0.000 2.699 497 T HA -0.226 4.124 4.350 0.001 0.000 0.268 497 T C 1.626 176.344 174.700 0.030 0.000 1.036 497 T CA 1.357 63.471 62.100 0.024 0.000 1.147 497 T CB -0.317 68.564 68.868 0.021 0.000 0.862 497 T HN 0.494 nan 8.240 nan 0.000 0.446 498 K N 0.536 120.956 120.400 0.032 0.000 2.032 498 K HA -0.117 4.203 4.320 0.001 0.000 0.209 498 K C 2.385 179.016 176.600 0.052 0.000 1.048 498 K CA 1.410 57.721 56.287 0.041 0.000 0.927 498 K CB -0.507 32.017 32.500 0.040 0.000 0.712 498 K HN 0.240 nan 8.250 nan 0.000 0.441 499 V N 0.800 120.742 119.914 0.046 0.000 2.427 499 V HA -0.195 3.925 4.120 0.001 0.000 0.248 499 V C 1.657 177.780 176.094 0.049 0.000 1.051 499 V CA 2.544 64.872 62.300 0.047 0.000 1.048 499 V CB -0.392 31.452 31.823 0.034 0.000 0.666 499 V HN 0.469 nan 8.190 nan 0.000 0.456 500 T N 0.101 114.680 114.554 0.041 0.000 2.904 500 T HA -0.112 4.238 4.350 0.001 0.000 0.267 500 T C 1.958 176.685 174.700 0.045 0.000 1.059 500 T CA 1.561 63.684 62.100 0.039 0.000 1.137 500 T CB -0.310 68.576 68.868 0.030 0.000 0.879 500 T HN 0.518 nan 8.240 nan 0.000 0.467 501 R N 1.005 121.532 120.500 0.045 0.000 2.075 501 R HA -0.051 4.289 4.340 0.001 0.000 0.232 501 R C 2.495 178.834 176.300 0.065 0.000 1.126 501 R CA 1.472 57.597 56.100 0.042 0.000 0.963 501 R CB -0.280 30.040 30.300 0.033 0.000 0.858 501 R HN 0.230 nan 8.270 nan 0.000 0.435 502 S N 0.503 116.267 115.700 0.106 0.000 2.355 502 S HA -0.097 4.373 4.470 0.001 0.000 0.222 502 S C 1.984 176.732 174.600 0.247 0.000 1.031 502 S CA 1.131 59.462 58.200 0.218 0.000 0.993 502 S CB -0.182 63.150 63.200 0.221 0.000 0.859 502 S HN 0.558 nan 8.310 nan 0.000 0.453 503 A N 1.066 123.967 122.820 0.135 0.000 1.940 503 A HA -0.074 4.246 4.320 0.001 0.000 0.219 503 A C 2.127 179.771 177.584 0.100 0.000 1.176 503 A CA 1.414 53.513 52.037 0.104 0.000 0.631 503 A CB -0.601 18.433 19.000 0.057 0.000 0.814 503 A HN 0.422 nan 8.150 nan 0.000 0.446 504 L N -0.680 120.588 121.223 0.075 0.000 2.068 504 L HA -0.086 4.254 4.340 0.001 0.000 0.204 504 L C 2.499 179.393 176.870 0.041 0.000 1.076 504 L CA 2.083 56.953 54.840 0.050 0.000 0.753 504 L CB -0.680 41.397 42.059 0.031 0.000 0.910 504 L HN 0.468 nan 8.230 nan 0.000 0.439 505 Q N -1.581 118.230 119.800 0.020 0.000 2.061 505 Q HA -0.245 4.095 4.340 0.001 0.000 0.204 505 Q C 2.189 178.141 176.000 -0.080 0.000 0.984 505 Q CA 2.340 58.105 55.803 -0.063 0.000 0.846 505 Q CB -0.350 28.299 28.738 -0.149 0.000 0.902 505 Q HN 0.515 nan 8.270 nan 0.000 0.421 506 Y N -0.051 120.252 120.300 0.004 0.000 2.145 506 Y HA -0.215 4.335 4.550 0.000 0.000 0.286 506 Y C 2.374 178.275 175.900 0.003 0.000 1.145 506 Y CA 1.192 59.294 58.100 0.003 0.000 1.148 506 Y CB -0.493 37.968 38.460 0.002 0.000 0.981 506 Y HN 0.155 nan 8.280 nan 0.000 0.507 507 A N -0.216 122.699 122.820 0.158 0.000 1.972 507 A HA -0.130 4.190 4.320 0.001 0.000 0.219 507 A C 2.378 179.995 177.584 0.055 0.000 1.169 507 A CA 1.762 53.853 52.037 0.089 0.000 0.635 507 A CB -1.114 17.926 19.000 0.066 0.000 0.810 507 A HN 0.412 nan 8.150 nan 0.000 0.446 508 A N -1.110 121.732 122.820 0.037 0.000 1.930 508 A HA 0.005 4.325 4.320 0.001 0.000 0.215 508 A C 2.417 180.007 177.584 0.010 0.000 1.176 508 A CA 1.798 53.844 52.037 0.016 0.000 0.632 508 A CB -0.843 18.157 19.000 0.001 0.000 0.819 508 A HN 0.517 nan 8.150 nan 0.000 0.445 509 S N -0.728 114.973 115.700 0.003 0.000 2.359 509 S HA -0.152 4.318 4.470 0.001 0.000 0.224 509 S C 1.970 176.584 174.600 0.023 0.000 1.035 509 S CA 1.807 60.004 58.200 -0.004 0.000 1.018 509 S CB -0.498 62.683 63.200 -0.032 0.000 0.876 509 S HN 0.436 nan 8.310 nan 0.000 0.448 510 V N 1.573 121.516 119.914 0.047 0.000 2.379 510 V HA 0.020 4.140 4.120 0.001 0.000 0.245 510 V C 2.615 178.727 176.094 0.031 0.000 1.044 510 V CA 1.927 64.254 62.300 0.045 0.000 1.036 510 V CB -1.017 30.840 31.823 0.056 0.000 0.664 510 V HN 0.580 nan 8.190 nan 0.000 0.453 511 A N 0.021 122.859 122.820 0.029 0.000 1.940 511 A HA -0.080 4.240 4.320 0.001 0.000 0.219 511 A C 2.344 179.938 177.584 0.018 0.000 1.176 511 A CA 1.972 54.023 52.037 0.022 0.000 0.631 511 A CB -1.386 17.627 19.000 0.021 0.000 0.814 511 A HN 0.647 nan 8.150 nan 0.000 0.446 512 G N -0.168 108.641 108.800 0.015 0.000 2.421 512 G HA2 -0.179 3.782 3.960 0.001 0.000 0.216 512 G HA3 -0.179 3.782 3.960 0.001 0.000 0.216 512 G C 1.551 176.458 174.900 0.013 0.000 1.171 512 G CA 1.081 46.187 45.100 0.011 0.000 0.775 512 G HN 0.444 nan 8.290 nan 0.000 0.543 513 L N -0.378 120.854 121.223 0.016 0.000 2.093 513 L HA 0.045 4.385 4.340 0.001 0.000 0.208 513 L C 3.034 179.916 176.870 0.020 0.000 1.085 513 L CA 0.838 55.688 54.840 0.018 0.000 0.755 513 L CB -0.238 41.833 42.059 0.020 0.000 0.904 513 L HN 0.215 nan 8.230 nan 0.000 0.435 514 M N -0.924 118.689 119.600 0.021 0.000 2.349 514 M HA -0.125 4.355 4.480 0.001 0.000 0.266 514 M C 2.160 178.472 176.300 0.020 0.000 1.076 514 M CA 1.492 56.805 55.300 0.022 0.000 1.126 514 M CB -0.026 32.587 32.600 0.023 0.000 1.392 514 M HN 0.208 nan 8.290 nan 0.000 0.440 515 I N -0.174 120.406 120.570 0.018 0.000 2.439 515 I HA -0.186 3.984 4.170 0.001 0.000 0.251 515 I C 1.813 177.941 176.117 0.018 0.000 1.139 515 I CA 1.217 62.527 61.300 0.016 0.000 1.438 515 I CB -0.167 37.841 38.000 0.014 0.000 1.085 515 I HN 0.325 nan 8.210 nan 0.000 0.427 516 T N -2.535 112.030 114.554 0.018 0.000 3.272 516 T HA 0.104 4.454 4.350 0.001 0.000 0.250 516 T C 0.618 175.333 174.700 0.026 0.000 1.082 516 T CA -0.171 61.941 62.100 0.020 0.000 0.968 516 T CB -0.753 68.125 68.868 0.017 0.000 1.015 516 T HN -0.007 nan 8.240 nan 0.000 0.563 517 T N 2.341 116.911 114.554 0.027 0.000 2.817 517 T HA 0.300 4.650 4.350 0.001 0.000 0.293 517 T C 0.609 175.332 174.700 0.038 0.000 0.964 517 T CA -0.552 61.567 62.100 0.032 0.000 1.085 517 T CB 1.610 70.495 68.868 0.029 0.000 0.921 517 T HN 0.124 nan 8.240 nan 0.000 0.502 518 E N 0.451 120.683 120.200 0.052 0.000 2.441 518 E HA 0.157 4.508 4.350 0.001 0.000 0.212 518 E C 0.064 176.722 176.600 0.098 0.000 0.840 518 E CA 0.143 56.591 56.400 0.080 0.000 1.143 518 E CB 0.896 30.655 29.700 0.097 0.000 1.153 518 E HN 0.575 nan 8.360 nan 0.000 0.539 519 C N 1.076 120.408 119.300 0.053 0.000 2.609 519 C HA 0.697 5.157 4.460 0.001 0.000 0.313 519 C C -1.004 173.954 174.990 -0.053 0.000 1.175 519 C CA -0.521 58.470 59.018 -0.046 0.000 1.434 519 C CB 0.178 27.925 27.740 0.011 0.000 2.005 519 C HN 0.153 nan 8.230 nan 0.000 0.471 520 M N 5.382 124.932 119.600 -0.083 0.000 2.321 520 M HA 0.559 5.040 4.480 0.001 0.000 0.315 520 M C -1.088 175.268 176.300 0.093 0.000 1.052 520 M CA -0.500 54.842 55.300 0.071 0.000 0.936 520 M CB 2.091 34.847 32.600 0.260 0.000 1.639 520 M HN 0.386 nan 8.290 nan 0.000 0.433 521 V N 1.835 121.756 119.914 0.013 0.000 2.407 521 V HA 0.659 4.779 4.120 0.001 0.000 0.291 521 V C -0.291 175.728 176.094 -0.126 0.000 1.018 521 V CA -0.396 61.882 62.300 -0.038 0.000 0.842 521 V CB 1.783 33.583 31.823 -0.038 0.000 0.996 521 V HN 0.933 nan 8.190 nan 0.000 0.426 522 T N 2.177 116.593 114.554 -0.230 0.000 2.865 522 T HA 0.448 4.798 4.350 0.001 0.000 0.294 522 T C -1.116 173.452 174.700 -0.219 0.000 1.119 522 T CA -0.542 61.372 62.100 -0.309 0.000 1.007 522 T CB 1.885 70.389 68.868 -0.606 0.000 1.225 522 T HN 0.616 nan 8.240 nan 0.000 0.515 523 D N 1.404 121.696 120.400 -0.181 0.000 2.382 523 D HA 0.304 4.944 4.640 0.001 0.000 0.240 523 D C -0.128 176.107 176.300 -0.109 0.000 1.146 523 D CA -0.043 53.889 54.000 -0.114 0.000 0.897 523 D CB 0.489 41.237 40.800 -0.087 0.000 1.197 523 D HN 0.333 nan 8.370 nan 0.000 0.432 524 L N 3.570 124.759 121.223 -0.057 0.000 2.367 524 L HA 0.291 4.631 4.340 0.001 0.000 0.275 524 L C -1.614 175.240 176.870 -0.025 0.000 1.129 524 L CA -0.955 53.868 54.840 -0.028 0.000 0.839 524 L CB 0.213 42.269 42.059 -0.006 0.000 1.133 524 L HN 0.374 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 525 P CB 0.000 31.706 31.700 0.009 0.000 0.726