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 2c7d_1_F DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 3 A N 1.057 123.879 122.820 0.003 0.000 2.587 3 A HA 0.464 4.785 4.320 0.002 0.000 0.235 3 A C 0.317 177.908 177.584 0.012 0.000 1.044 3 A CA 0.585 52.628 52.037 0.011 0.000 0.754 3 A CB -0.202 18.806 19.000 0.015 0.000 0.968 3 A HN 0.594 nan 8.150 nan 0.000 0.509 4 K N 1.214 121.628 120.400 0.022 0.000 2.139 4 K HA 0.447 4.769 4.320 0.002 0.000 0.243 4 K C -0.738 175.903 176.600 0.069 0.000 0.983 4 K CA -0.572 55.733 56.287 0.030 0.000 0.890 4 K CB 1.427 33.945 32.500 0.031 0.000 1.090 4 K HN 0.823 nan 8.250 nan 0.000 0.445 5 D N 0.204 120.672 120.400 0.113 0.000 2.350 5 D HA 0.507 5.149 4.640 0.002 0.000 0.238 5 D C -1.429 175.044 176.300 0.288 0.000 0.989 5 D CA -0.677 53.452 54.000 0.216 0.000 0.921 5 D CB 1.545 42.532 40.800 0.312 0.000 1.297 5 D HN 0.219 nan 8.370 nan 0.000 0.490 6 V N -0.937 119.127 119.914 0.249 0.000 2.808 6 V HA 0.729 4.851 4.120 0.002 0.000 0.308 6 V C -1.091 175.045 176.094 0.070 0.000 1.099 6 V CA -0.802 61.596 62.300 0.164 0.000 0.920 6 V CB 1.764 33.623 31.823 0.061 0.000 1.014 6 V HN 0.491 nan 8.190 nan 0.000 0.425 7 K N 3.661 124.017 120.400 -0.074 0.000 2.464 7 K HA 0.739 5.060 4.320 0.002 0.000 0.253 7 K C -1.917 174.566 176.600 -0.195 0.000 0.933 7 K CA -0.363 55.843 56.287 -0.134 0.000 0.801 7 K CB 2.748 34.960 32.500 -0.479 0.000 1.271 7 K HN 0.647 nan 8.250 nan 0.000 0.430 8 F N 0.149 120.071 119.950 -0.048 0.000 2.561 8 F HA 0.418 4.946 4.527 0.002 0.000 0.321 8 F C 1.353 177.138 175.800 -0.024 0.000 1.065 8 F CA 0.347 58.337 58.000 -0.018 0.000 0.934 8 F CB 1.889 40.880 39.000 -0.014 0.000 1.215 8 F HN 0.835 nan 8.300 nan 0.000 0.471 9 G N 2.302 111.208 108.800 0.177 0.000 2.774 9 G HA2 -0.542 3.420 3.960 0.002 0.000 0.342 9 G HA3 -0.542 3.420 3.960 0.002 0.000 0.342 9 G C 1.264 176.199 174.900 0.058 0.000 1.185 9 G CA 1.415 46.579 45.100 0.106 0.000 0.956 9 G HN 0.808 nan 8.290 nan 0.000 0.561 10 N N 1.080 119.807 118.700 0.044 0.000 2.013 10 N HA -0.067 4.674 4.740 0.002 0.000 0.195 10 N C 1.812 177.322 175.510 0.001 0.000 1.051 10 N CA 2.589 55.651 53.050 0.019 0.000 0.851 10 N CB -0.462 38.031 38.487 0.010 0.000 1.044 10 N HN 0.547 nan 8.380 nan 0.000 0.422 11 D N -0.433 119.960 120.400 -0.013 0.000 2.218 11 D HA -0.032 4.609 4.640 0.002 0.000 0.204 11 D C 1.688 177.923 176.300 -0.108 0.000 0.976 11 D CA 1.093 55.046 54.000 -0.079 0.000 0.853 11 D CB -0.332 40.406 40.800 -0.104 0.000 0.939 11 D HN 0.489 nan 8.370 nan 0.000 0.481 12 A N 0.865 123.659 122.820 -0.043 0.000 1.821 12 A HA -0.119 4.203 4.320 0.002 0.000 0.215 12 A C 2.114 179.711 177.584 0.021 0.000 1.214 12 A CA 1.115 53.150 52.037 -0.004 0.000 0.608 12 A CB -0.465 18.536 19.000 0.001 0.000 0.862 12 A HN 0.050 nan 8.150 nan 0.000 0.448 13 R N -0.644 119.868 120.500 0.021 0.000 2.120 13 R HA -0.059 4.282 4.340 0.002 0.000 0.234 13 R C 1.976 178.289 176.300 0.022 0.000 1.123 13 R CA 1.252 57.366 56.100 0.024 0.000 0.975 13 R CB -0.485 29.829 30.300 0.023 0.000 0.866 13 R HN 0.398 nan 8.270 nan 0.000 0.446 14 V N 1.352 121.274 119.914 0.013 0.000 2.307 14 V HA -0.226 3.896 4.120 0.002 0.000 0.245 14 V C 2.241 178.347 176.094 0.020 0.000 1.045 14 V CA 1.576 63.883 62.300 0.011 0.000 1.024 14 V CB -0.322 31.501 31.823 -0.000 0.000 0.651 14 V HN 0.204 nan 8.190 nan 0.000 0.449 15 K N -0.432 119.982 120.400 0.024 0.000 2.026 15 K HA -0.154 4.167 4.320 0.002 0.000 0.208 15 K C 2.137 178.780 176.600 0.072 0.000 1.048 15 K CA 1.757 58.080 56.287 0.060 0.000 0.929 15 K CB -0.566 31.995 32.500 0.103 0.000 0.713 15 K HN 0.416 nan 8.250 nan 0.000 0.439 16 M N 0.668 120.309 119.600 0.068 0.000 2.082 16 M HA -0.228 4.254 4.480 0.002 0.000 0.258 16 M C 2.191 178.514 176.300 0.038 0.000 1.069 16 M CA 1.435 56.768 55.300 0.055 0.000 1.102 16 M CB -0.175 32.454 32.600 0.048 0.000 1.336 16 M HN 0.079 nan 8.290 nan 0.000 0.404 17 L N 0.424 121.666 121.223 0.032 0.000 2.012 17 L HA -0.223 4.119 4.340 0.002 0.000 0.210 17 L C 2.314 179.199 176.870 0.025 0.000 1.073 17 L CA 1.938 56.794 54.840 0.025 0.000 0.748 17 L CB -0.605 41.467 42.059 0.021 0.000 0.891 17 L HN 0.246 nan 8.230 nan 0.000 0.431 18 R N -0.679 119.838 120.500 0.027 0.000 2.080 18 R HA -0.143 4.199 4.340 0.002 0.000 0.236 18 R C 2.232 178.548 176.300 0.027 0.000 1.137 18 R CA 1.429 57.545 56.100 0.026 0.000 0.943 18 R CB -1.204 29.113 30.300 0.029 0.000 0.846 18 R HN 0.589 nan 8.270 nan 0.000 0.431 19 G N 0.382 109.202 108.800 0.033 0.000 2.446 19 G HA2 -0.235 3.727 3.960 0.002 0.000 0.217 19 G HA3 -0.235 3.727 3.960 0.002 0.000 0.217 19 G C 1.494 176.407 174.900 0.022 0.000 1.168 19 G CA 0.890 46.007 45.100 0.029 0.000 0.771 19 G HN 0.145 nan 8.290 nan 0.000 0.551 20 V N 1.395 121.322 119.914 0.023 0.000 2.287 20 V HA -0.235 3.886 4.120 0.002 0.000 0.248 20 V C 2.622 178.727 176.094 0.019 0.000 1.053 20 V CA 1.995 64.307 62.300 0.020 0.000 1.027 20 V CB -0.475 31.361 31.823 0.021 0.000 0.646 20 V HN 0.416 nan 8.190 nan 0.000 0.447 21 N N -0.126 118.586 118.700 0.019 0.000 2.188 21 N HA -0.110 4.632 4.740 0.002 0.000 0.184 21 N C 1.827 177.347 175.510 0.016 0.000 1.018 21 N CA 1.397 54.457 53.050 0.017 0.000 0.858 21 N CB -0.063 38.434 38.487 0.017 0.000 0.989 21 N HN 0.330 nan 8.380 nan 0.000 0.426 22 V N 2.538 122.462 119.914 0.016 0.000 2.332 22 V HA -0.187 3.935 4.120 0.002 0.000 0.248 22 V C 2.439 178.541 176.094 0.013 0.000 1.055 22 V CA 1.135 63.443 62.300 0.014 0.000 1.038 22 V CB -0.472 31.360 31.823 0.015 0.000 0.651 22 V HN 0.341 nan 8.190 nan 0.000 0.450 23 L N 0.519 121.750 121.223 0.013 0.000 1.994 23 L HA -0.123 4.219 4.340 0.002 0.000 0.208 23 L C 2.571 179.448 176.870 0.013 0.000 1.071 23 L CA 2.757 57.604 54.840 0.012 0.000 0.745 23 L CB -1.380 40.686 42.059 0.012 0.000 0.892 23 L HN 0.338 nan 8.230 nan 0.000 0.431 24 A N -0.260 122.569 122.820 0.015 0.000 1.908 24 A HA -0.240 4.081 4.320 0.002 0.000 0.218 24 A C 1.883 179.475 177.584 0.014 0.000 1.181 24 A CA 1.833 53.879 52.037 0.016 0.000 0.627 24 A CB -0.681 18.329 19.000 0.018 0.000 0.818 24 A HN 0.523 nan 8.150 nan 0.000 0.445 25 D N 0.143 120.551 120.400 0.013 0.000 2.123 25 D HA -0.104 4.538 4.640 0.002 0.000 0.196 25 D C 2.197 178.503 176.300 0.010 0.000 0.992 25 D CA 1.642 55.649 54.000 0.012 0.000 0.833 25 D CB -0.473 40.334 40.800 0.011 0.000 0.954 25 D HN 0.440 nan 8.370 nan 0.000 0.455 26 A N 0.361 123.187 122.820 0.010 0.000 1.972 26 A HA -0.108 4.213 4.320 0.002 0.000 0.219 26 A C 2.466 180.055 177.584 0.009 0.000 1.169 26 A CA 1.036 53.078 52.037 0.008 0.000 0.635 26 A CB -0.446 18.558 19.000 0.007 0.000 0.810 26 A HN 0.169 nan 8.150 nan 0.000 0.446 27 V N -0.447 119.474 119.914 0.011 0.000 2.649 27 V HA -0.148 3.973 4.120 0.002 0.000 0.248 27 V C 2.297 178.399 176.094 0.013 0.000 1.054 27 V CA 1.977 64.284 62.300 0.013 0.000 1.073 27 V CB -0.485 31.347 31.823 0.016 0.000 0.699 27 V HN 0.507 nan 8.190 nan 0.000 0.463 28 K N 0.602 121.009 120.400 0.013 0.000 2.209 28 K HA -0.116 4.205 4.320 0.002 0.000 0.204 28 K C 1.773 178.379 176.600 0.011 0.000 1.048 28 K CA 1.522 57.817 56.287 0.013 0.000 0.940 28 K CB -0.269 32.239 32.500 0.013 0.000 0.729 28 K HN 0.565 nan 8.250 nan 0.000 0.451 29 V N -0.879 119.040 119.914 0.009 0.000 3.541 29 V HA -0.056 4.065 4.120 0.002 0.000 0.272 29 V C 1.465 177.562 176.094 0.006 0.000 1.215 29 V CA 1.578 63.883 62.300 0.007 0.000 1.176 29 V CB -1.020 30.806 31.823 0.006 0.000 0.854 29 V HN 0.318 nan 8.190 nan 0.000 0.496 30 T N -2.951 111.607 114.554 0.007 0.000 3.023 30 T HA 0.340 4.691 4.350 0.002 0.000 0.253 30 T C 0.366 175.068 174.700 0.004 0.000 1.038 30 T CA -0.145 61.958 62.100 0.005 0.000 0.962 30 T CB 0.163 69.035 68.868 0.007 0.000 1.018 30 T HN 0.338 nan 8.240 nan 0.000 0.521 31 L N 2.612 123.838 121.223 0.005 0.000 2.331 31 L HA 0.629 4.970 4.340 0.002 0.000 0.278 31 L C 0.798 177.668 176.870 -0.001 0.000 1.106 31 L CA 1.538 56.380 54.840 0.004 0.000 0.824 31 L CB 0.044 42.108 42.059 0.008 0.000 1.142 31 L HN 0.686 nan 8.230 nan 0.000 0.443 32 G N 4.585 113.382 108.800 -0.006 0.000 2.698 32 G HA2 -0.167 3.794 3.960 0.002 0.000 0.225 32 G HA3 -0.167 3.794 3.960 0.002 0.000 0.225 32 G C -2.263 172.626 174.900 -0.020 0.000 1.345 32 G CA -0.241 44.851 45.100 -0.014 0.000 0.871 32 G HN 0.549 nan 8.290 nan 0.000 0.540 33 P HA 0.046 nan 4.420 nan 0.000 0.220 33 P C 1.100 178.382 177.300 -0.030 0.000 1.152 33 P CA 1.385 64.464 63.100 -0.035 0.000 0.812 33 P CB 0.050 31.719 31.700 -0.051 0.000 0.792 34 K N 0.121 120.504 120.400 -0.028 0.000 2.417 34 K HA 0.219 4.541 4.320 0.002 0.000 0.196 34 K C 1.225 177.818 176.600 -0.012 0.000 1.023 34 K CA -0.213 56.062 56.287 -0.020 0.000 1.122 34 K CB 0.052 32.540 32.500 -0.020 0.000 0.850 34 K HN 0.083 nan 8.250 nan 0.000 0.521 35 G N 1.465 110.259 108.800 -0.010 0.000 2.483 35 G HA2 0.154 4.115 3.960 0.002 0.000 0.248 35 G HA3 0.154 4.115 3.960 0.002 0.000 0.248 35 G C -0.163 174.734 174.900 -0.004 0.000 1.248 35 G CA -0.402 44.695 45.100 -0.005 0.000 0.838 35 G HN 0.173 nan 8.290 nan 0.000 0.566 36 R N 0.545 121.044 120.500 -0.002 0.000 3.024 36 R HA 0.460 4.801 4.340 0.002 0.000 0.224 36 R C -0.743 175.557 176.300 -0.000 0.000 1.490 36 R CA -0.976 55.123 56.100 -0.002 0.000 1.057 36 R CB 0.796 31.095 30.300 -0.001 0.000 1.723 36 R HN 0.473 nan 8.270 nan 0.000 0.520 37 N N -0.800 117.900 118.700 -0.000 0.000 2.402 37 N HA 0.516 5.257 4.740 0.002 0.000 0.294 37 N C -1.442 174.069 175.510 0.001 0.000 1.203 37 N CA -0.689 52.361 53.050 0.000 0.000 0.838 37 N CB 2.038 40.524 38.487 -0.001 0.000 1.306 37 N HN 0.148 nan 8.380 nan 0.000 0.510 38 V N 0.508 120.423 119.914 0.001 0.000 2.656 38 V HA 0.494 4.616 4.120 0.002 0.000 0.307 38 V C -0.522 175.572 176.094 -0.001 0.000 1.051 38 V CA -0.844 61.456 62.300 0.001 0.000 0.893 38 V CB 2.047 33.871 31.823 0.003 0.000 0.999 38 V HN 0.335 nan 8.190 nan 0.000 0.426 39 V N 5.553 125.465 119.914 -0.004 0.000 2.394 39 V HA 0.497 4.618 4.120 0.002 0.000 0.282 39 V C -0.288 175.799 176.094 -0.011 0.000 1.031 39 V CA -0.475 61.821 62.300 -0.008 0.000 0.881 39 V CB 1.459 33.275 31.823 -0.010 0.000 0.982 39 V HN 0.625 nan 8.190 nan 0.000 0.451 40 L N 3.830 125.045 121.223 -0.013 0.000 2.298 40 L HA 0.526 4.867 4.340 0.002 0.000 0.284 40 L C -0.323 176.526 176.870 -0.036 0.000 1.013 40 L CA -0.500 54.328 54.840 -0.018 0.000 0.824 40 L CB 1.596 43.651 42.059 -0.006 0.000 1.221 40 L HN 0.536 nan 8.230 nan 0.000 0.418 41 D N 3.553 123.921 120.400 -0.055 0.000 2.341 41 D HA 0.305 4.947 4.640 0.002 0.000 0.245 41 D C -0.654 175.555 176.300 -0.151 0.000 1.106 41 D CA 0.055 54.002 54.000 -0.088 0.000 0.905 41 D CB 1.059 41.810 40.800 -0.083 0.000 1.202 41 D HN 0.361 nan 8.370 nan 0.000 0.426 42 K N 1.047 121.316 120.400 -0.219 0.000 2.637 42 K HA 0.152 4.474 4.320 0.002 0.000 0.248 42 K C 0.641 176.926 176.600 -0.525 0.000 0.971 42 K CA -0.422 55.596 56.287 -0.448 0.000 0.858 42 K CB 1.559 33.882 32.500 -0.295 0.000 1.170 42 K HN 0.330 nan 8.250 nan 0.000 0.443 43 S N 1.662 116.931 115.700 -0.719 0.000 2.469 43 S HA -0.123 4.349 4.470 0.002 0.000 0.238 43 S C 1.370 175.800 174.600 -0.284 0.000 0.998 43 S CA 0.767 58.709 58.200 -0.430 0.000 0.957 43 S CB -0.436 62.578 63.200 -0.311 0.000 0.764 43 S HN 0.513 nan 8.310 nan 0.000 0.514 44 F N 2.212 122.159 119.950 -0.006 0.000 2.546 44 F HA 0.402 4.930 4.527 0.002 0.000 0.298 44 F C 1.892 177.688 175.800 -0.005 0.000 1.120 44 F CA -0.289 57.707 58.000 -0.006 0.000 1.456 44 F CB -1.042 37.954 39.000 -0.007 0.000 1.088 44 F HN 0.478 nan 8.300 nan 0.000 0.572 45 G N -1.297 107.525 108.800 0.036 0.000 3.791 45 G HA2 0.536 4.497 3.960 0.002 0.000 0.117 45 G HA3 0.536 4.497 3.960 0.002 0.000 0.117 45 G C -0.727 174.159 174.900 -0.023 0.000 1.177 45 G CA 0.280 45.394 45.100 0.023 0.000 1.242 45 G HN 0.451 nan 8.290 nan 0.000 0.502 46 A N -0.363 122.440 122.820 -0.029 0.000 2.602 46 A HA 0.878 5.199 4.320 0.002 0.000 0.290 46 A C -3.086 174.472 177.584 -0.043 0.000 1.114 46 A CA -0.836 51.178 52.037 -0.038 0.000 0.683 46 A CB 0.662 19.651 19.000 -0.018 0.000 1.281 46 A HN 0.276 nan 8.150 nan 0.000 0.416 47 P HA 0.439 nan 4.420 nan 0.000 0.272 47 P C -0.422 176.868 177.300 -0.016 0.000 1.248 47 P CA 0.220 63.298 63.100 -0.037 0.000 0.799 47 P CB 0.464 32.145 31.700 -0.032 0.000 0.997 48 T N 0.423 114.971 114.554 -0.010 0.000 2.952 48 T HA 0.488 4.840 4.350 0.002 0.000 0.305 48 T C -0.279 174.420 174.700 -0.000 0.000 1.064 48 T CA -0.313 61.787 62.100 0.001 0.000 1.008 48 T CB 0.540 69.415 68.868 0.012 0.000 1.078 48 T HN 0.063 nan 8.240 nan 0.000 0.459 49 I N 2.335 122.906 120.570 0.001 0.000 2.428 49 I HA 0.507 4.678 4.170 0.002 0.000 0.289 49 I C 0.820 176.940 176.117 0.005 0.000 1.019 49 I CA 0.076 61.377 61.300 0.001 0.000 1.351 49 I CB 1.418 39.418 38.000 -0.000 0.000 1.412 49 I HN 0.486 nan 8.210 nan 0.000 0.513 50 T N 4.137 118.694 114.554 0.006 0.000 2.906 50 T HA 0.406 4.758 4.350 0.002 0.000 0.295 50 T C 0.316 175.020 174.700 0.007 0.000 1.075 50 T CA -0.603 61.502 62.100 0.009 0.000 1.005 50 T CB 1.335 70.210 68.868 0.012 0.000 1.136 50 T HN 0.711 nan 8.240 nan 0.000 0.498 51 K N 0.947 121.352 120.400 0.008 0.000 2.402 51 K HA 0.216 4.537 4.320 0.002 0.000 0.204 51 K C -0.325 176.281 176.600 0.011 0.000 1.056 51 K CA -0.132 56.159 56.287 0.007 0.000 1.069 51 K CB 0.408 32.911 32.500 0.005 0.000 0.888 51 K HN 0.643 nan 8.250 nan 0.000 0.546 52 D N -1.504 118.905 120.400 0.014 0.000 2.177 52 D HA 0.164 4.806 4.640 0.002 0.000 0.247 52 D C 1.081 177.392 176.300 0.018 0.000 1.063 52 D CA -0.386 53.625 54.000 0.019 0.000 0.867 52 D CB 1.680 42.494 40.800 0.023 0.000 1.168 52 D HN 0.049 nan 8.370 nan 0.000 0.445 53 G N 1.956 110.768 108.800 0.020 0.000 2.422 53 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 53 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 53 G C 1.368 176.280 174.900 0.019 0.000 1.140 53 G CA 0.581 45.692 45.100 0.019 0.000 0.775 53 G HN 0.449 nan 8.290 nan 0.000 0.545 54 V N 0.588 120.514 119.914 0.020 0.000 2.548 54 V HA -0.094 4.027 4.120 0.002 0.000 0.249 54 V C 2.948 179.051 176.094 0.016 0.000 1.055 54 V CA 2.315 64.624 62.300 0.016 0.000 1.065 54 V CB -0.195 31.637 31.823 0.016 0.000 0.681 54 V HN 0.351 nan 8.190 nan 0.000 0.462 55 S N -0.075 115.636 115.700 0.019 0.000 2.353 55 S HA -0.201 4.270 4.470 0.002 0.000 0.222 55 S C 1.880 176.490 174.600 0.017 0.000 1.035 55 S CA 1.823 60.035 58.200 0.020 0.000 1.025 55 S CB -0.329 62.883 63.200 0.021 0.000 0.902 55 S HN 0.487 nan 8.310 nan 0.000 0.440 56 V N 2.081 122.004 119.914 0.014 0.000 2.261 56 V HA -0.200 3.922 4.120 0.002 0.000 0.246 56 V C 2.695 178.796 176.094 0.011 0.000 1.047 56 V CA 1.770 64.077 62.300 0.011 0.000 1.015 56 V CB -1.351 30.478 31.823 0.010 0.000 0.642 56 V HN 0.550 nan 8.190 nan 0.000 0.446 57 A N -0.116 122.710 122.820 0.011 0.000 1.908 57 A HA -0.253 4.069 4.320 0.002 0.000 0.218 57 A C 2.361 179.950 177.584 0.007 0.000 1.181 57 A CA 2.004 54.046 52.037 0.009 0.000 0.627 57 A CB -0.566 18.439 19.000 0.008 0.000 0.818 57 A HN 0.512 nan 8.150 nan 0.000 0.445 58 R N -0.600 119.905 120.500 0.009 0.000 2.120 58 R HA -0.090 4.252 4.340 0.002 0.000 0.234 58 R C 1.687 177.997 176.300 0.017 0.000 1.123 58 R CA 1.238 57.344 56.100 0.010 0.000 0.975 58 R CB -0.126 30.182 30.300 0.012 0.000 0.866 58 R HN 0.459 nan 8.270 nan 0.000 0.446 59 E N 0.149 120.360 120.200 0.019 0.000 2.358 59 E HA -0.020 4.331 4.350 0.002 0.000 0.195 59 E C 0.428 177.037 176.600 0.015 0.000 1.010 59 E CA 0.430 56.844 56.400 0.022 0.000 0.856 59 E CB 0.219 29.930 29.700 0.018 0.000 0.795 59 E HN 0.155 nan 8.360 nan 0.000 0.504 60 I N 1.262 121.837 120.570 0.009 0.000 2.472 60 I HA 0.235 4.406 4.170 0.002 0.000 0.290 60 I C 0.382 176.501 176.117 0.003 0.000 1.016 60 I CA -0.203 61.100 61.300 0.005 0.000 1.348 60 I CB 0.910 38.913 38.000 0.005 0.000 1.417 60 I HN -0.070 nan 8.210 nan 0.000 0.521 61 E N 5.145 125.346 120.200 0.001 0.000 2.381 61 E HA 0.445 4.797 4.350 0.002 0.000 0.286 61 E C -2.123 174.475 176.600 -0.004 0.000 0.960 61 E CA -0.595 55.802 56.400 -0.004 0.000 0.793 61 E CB 1.866 31.565 29.700 -0.003 0.000 1.225 61 E HN 0.250 nan 8.360 nan 0.000 0.420 62 L N 3.020 124.239 121.223 -0.007 0.000 2.303 62 L HA 0.357 4.699 4.340 0.002 0.000 0.266 62 L C 1.478 178.345 176.870 -0.004 0.000 1.011 62 L CA -0.193 54.646 54.840 -0.001 0.000 0.818 62 L CB 1.243 43.306 42.059 0.005 0.000 1.326 62 L HN 0.897 nan 8.230 nan 0.000 0.435 63 E N 0.298 120.501 120.200 0.004 0.000 2.051 63 E HA -0.173 4.178 4.350 0.002 0.000 0.192 63 E C 0.075 176.683 176.600 0.014 0.000 0.991 63 E CA 0.840 57.244 56.400 0.007 0.000 0.799 63 E CB 0.284 29.992 29.700 0.013 0.000 0.748 63 E HN 0.596 nan 8.360 nan 0.000 0.449 64 D N 0.698 121.117 120.400 0.032 0.000 2.344 64 D HA -0.034 4.607 4.640 0.002 0.000 0.253 64 D C 0.714 177.034 176.300 0.034 0.000 1.255 64 D CA -0.073 53.968 54.000 0.067 0.000 0.894 64 D CB 0.808 41.666 40.800 0.097 0.000 1.067 64 D HN 0.015 nan 8.370 nan 0.000 0.492 65 K N 3.183 123.557 120.400 -0.043 0.000 2.059 65 K HA -0.200 4.122 4.320 0.002 0.000 0.212 65 K C 1.738 178.176 176.600 -0.271 0.000 1.050 65 K CA 1.273 57.422 56.287 -0.231 0.000 0.927 65 K CB -0.426 31.802 32.500 -0.453 0.000 0.714 65 K HN 0.508 nan 8.250 nan 0.000 0.447 66 F N 1.470 121.414 119.950 -0.010 0.000 2.604 66 F HA -0.037 4.491 4.527 0.001 0.000 0.298 66 F C 2.024 177.818 175.800 -0.009 0.000 1.131 66 F CA 0.729 58.721 58.000 -0.013 0.000 1.457 66 F CB -0.073 38.920 39.000 -0.011 0.000 1.095 66 F HN 0.159 nan 8.300 nan 0.000 0.574 67 E N -0.550 119.727 120.200 0.128 0.000 2.201 67 E HA -0.073 4.279 4.350 0.002 0.000 0.193 67 E C 1.566 178.183 176.600 0.029 0.000 0.957 67 E CA 0.418 56.862 56.400 0.074 0.000 0.858 67 E CB -0.287 29.454 29.700 0.069 0.000 0.816 67 E HN 0.290 nan 8.360 nan 0.000 0.475 68 N N 1.663 120.366 118.700 0.004 0.000 2.094 68 N HA -0.202 4.539 4.740 0.002 0.000 0.191 68 N C 1.864 177.358 175.510 -0.027 0.000 1.023 68 N CA 1.569 54.607 53.050 -0.020 0.000 0.857 68 N CB -0.053 38.407 38.487 -0.045 0.000 1.013 68 N HN 0.052 nan 8.380 nan 0.000 0.426 69 M N -0.689 118.888 119.600 -0.039 0.000 2.082 69 M HA -0.129 4.353 4.480 0.002 0.000 0.258 69 M C 2.221 178.517 176.300 -0.007 0.000 1.069 69 M CA 1.926 57.207 55.300 -0.032 0.000 1.102 69 M CB -0.738 31.843 32.600 -0.031 0.000 1.336 69 M HN 0.386 nan 8.290 nan 0.000 0.404 70 G N -0.362 108.444 108.800 0.010 0.000 2.433 70 G HA2 -0.113 3.848 3.960 0.002 0.000 0.216 70 G HA3 -0.113 3.848 3.960 0.002 0.000 0.216 70 G C 1.623 176.528 174.900 0.009 0.000 1.186 70 G CA 0.969 46.078 45.100 0.015 0.000 0.779 70 G HN 0.551 nan 8.290 nan 0.000 0.543 71 A N 0.070 122.894 122.820 0.006 0.000 1.883 71 A HA -0.095 4.227 4.320 0.002 0.000 0.217 71 A C 2.373 179.955 177.584 -0.003 0.000 1.186 71 A CA 1.940 53.980 52.037 0.003 0.000 0.624 71 A CB -0.410 18.592 19.000 0.003 0.000 0.822 71 A HN 0.341 nan 8.150 nan 0.000 0.444 72 Q N -0.968 118.826 119.800 -0.009 0.000 2.167 72 Q HA -0.085 4.256 4.340 0.002 0.000 0.202 72 Q C 2.170 178.161 176.000 -0.015 0.000 0.970 72 Q CA 1.310 57.104 55.803 -0.015 0.000 0.855 72 Q CB -0.315 28.408 28.738 -0.024 0.000 0.911 72 Q HN 0.772 nan 8.270 nan 0.000 0.438 73 M N 0.089 119.683 119.600 -0.010 0.000 2.077 73 M HA -0.139 4.343 4.480 0.002 0.000 0.261 73 M C 2.307 178.604 176.300 -0.004 0.000 1.070 73 M CA 1.459 56.755 55.300 -0.007 0.000 1.125 73 M CB -0.393 32.206 32.600 -0.001 0.000 1.339 73 M HN 0.130 nan 8.290 nan 0.000 0.409 74 V N -1.589 118.326 119.914 0.002 0.000 2.913 74 V HA -0.165 3.957 4.120 0.002 0.000 0.260 74 V C 1.996 178.091 176.094 0.001 0.000 1.098 74 V CA 1.623 63.927 62.300 0.007 0.000 1.121 74 V CB -1.141 30.691 31.823 0.014 0.000 0.714 74 V HN 0.468 nan 8.190 nan 0.000 0.487 75 K N 0.574 120.972 120.400 -0.005 0.000 2.160 75 K HA -0.274 4.047 4.320 0.002 0.000 0.206 75 K C 2.232 178.818 176.600 -0.023 0.000 1.047 75 K CA 2.082 58.362 56.287 -0.010 0.000 0.930 75 K CB -0.146 32.348 32.500 -0.011 0.000 0.720 75 K HN 0.739 nan 8.250 nan 0.000 0.450 76 E N -0.007 120.175 120.200 -0.030 0.000 2.046 76 E HA -0.150 4.201 4.350 0.002 0.000 0.190 76 E C 1.937 178.490 176.600 -0.078 0.000 0.982 76 E CA 1.055 57.422 56.400 -0.054 0.000 0.800 76 E CB 0.044 29.714 29.700 -0.050 0.000 0.756 76 E HN 0.217 nan 8.360 nan 0.000 0.449 77 V N 0.806 120.694 119.914 -0.043 0.000 2.407 77 V HA -0.227 3.894 4.120 0.002 0.000 0.248 77 V C 2.164 178.252 176.094 -0.010 0.000 1.055 77 V CA 2.185 64.473 62.300 -0.021 0.000 1.049 77 V CB -0.402 31.455 31.823 0.056 0.000 0.662 77 V HN 0.392 nan 8.190 nan 0.000 0.455 78 A N -0.862 121.956 122.820 -0.003 0.000 1.902 78 A HA -0.208 4.113 4.320 0.002 0.000 0.217 78 A C 2.554 180.129 177.584 -0.015 0.000 1.181 78 A CA 2.412 54.452 52.037 0.006 0.000 0.623 78 A CB -1.074 17.930 19.000 0.008 0.000 0.818 78 A HN 0.598 nan 8.150 nan 0.000 0.443 79 S N -0.910 114.763 115.700 -0.045 0.000 2.368 79 S HA -0.120 4.352 4.470 0.002 0.000 0.224 79 S C 2.105 176.638 174.600 -0.113 0.000 1.029 79 S CA 1.308 59.470 58.200 -0.063 0.000 0.988 79 S CB -0.254 62.907 63.200 -0.065 0.000 0.838 79 S HN 0.464 nan 8.310 nan 0.000 0.462 80 K N 1.252 121.518 120.400 -0.223 0.000 2.152 80 K HA -0.038 4.283 4.320 0.002 0.000 0.206 80 K C 2.181 178.604 176.600 -0.295 0.000 1.048 80 K CA 1.127 57.127 56.287 -0.478 0.000 0.933 80 K CB -0.666 31.241 32.500 -0.988 0.000 0.721 80 K HN 0.436 nan 8.250 nan 0.000 0.447 81 A N 1.869 124.682 122.820 -0.013 0.000 1.845 81 A HA -0.208 4.113 4.320 0.002 0.000 0.215 81 A C 2.090 179.731 177.584 0.095 0.000 1.195 81 A CA 1.758 53.898 52.037 0.172 0.000 0.616 81 A CB -0.770 18.323 19.000 0.156 0.000 0.832 81 A HN 0.439 nan 8.150 nan 0.000 0.443 82 N N -0.341 118.384 118.700 0.041 0.000 2.104 82 N HA -0.192 4.550 4.740 0.002 0.000 0.190 82 N C 0.871 176.389 175.510 0.014 0.000 1.024 82 N CA 1.643 54.713 53.050 0.033 0.000 0.853 82 N CB -0.266 38.232 38.487 0.018 0.000 1.008 82 N HN 0.389 nan 8.380 nan 0.000 0.424 83 D N 0.091 120.480 120.400 -0.018 0.000 2.310 83 D HA -0.054 4.587 4.640 0.002 0.000 0.212 83 D C 1.422 177.720 176.300 -0.005 0.000 0.965 83 D CA 0.572 54.552 54.000 -0.034 0.000 0.879 83 D CB 0.070 40.829 40.800 -0.068 0.000 0.921 83 D HN 0.423 nan 8.370 nan 0.000 0.510 84 A N -0.122 122.727 122.820 0.047 0.000 2.014 84 A HA 0.483 4.805 4.320 0.002 0.000 0.210 84 A C 1.709 179.346 177.584 0.090 0.000 1.188 84 A CA 1.050 53.149 52.037 0.104 0.000 0.731 84 A CB 0.573 19.722 19.000 0.248 0.000 0.858 84 A HN 0.161 nan 8.150 nan 0.000 0.464 85 A N -3.281 119.593 122.820 0.090 0.000 2.709 85 A HA 0.477 4.798 4.320 0.002 0.000 0.212 85 A C 1.578 179.228 177.584 0.111 0.000 1.280 85 A CA 1.076 53.170 52.037 0.095 0.000 1.034 85 A CB -0.592 18.462 19.000 0.089 0.000 1.255 85 A HN 1.955 nan 8.150 nan 0.000 0.547 86 G N 0.474 109.338 108.800 0.106 0.000 5.229 86 G HA2 -0.356 3.606 3.960 0.002 0.000 0.250 86 G HA3 -0.356 3.606 3.960 0.002 0.000 0.250 86 G C 0.374 175.325 174.900 0.085 0.000 1.380 86 G CA 0.749 45.922 45.100 0.122 0.000 0.933 86 G HN 0.759 nan 8.290 nan 0.000 0.731 87 D N 1.181 121.625 120.400 0.074 0.000 2.451 87 D HA 0.496 5.138 4.640 0.002 0.000 0.259 87 D C 1.563 177.897 176.300 0.057 0.000 1.201 87 D CA 1.316 55.349 54.000 0.054 0.000 1.028 87 D CB 0.445 41.269 40.800 0.040 0.000 1.095 87 D HN 1.733 nan 8.370 nan 0.000 0.539 88 G N -0.702 108.126 108.800 0.047 0.000 2.176 88 G HA2 -0.322 3.640 3.960 0.002 0.000 0.253 88 G HA3 -0.322 3.640 3.960 0.002 0.000 0.253 88 G C 1.083 176.018 174.900 0.058 0.000 0.979 88 G CA 1.510 46.639 45.100 0.049 0.000 0.641 88 G HN 0.675 nan 8.290 nan 0.000 0.530 89 T N -2.289 112.297 114.554 0.053 0.000 2.674 89 T HA -0.108 4.243 4.350 0.002 0.000 0.265 89 T C 2.226 176.951 174.700 0.042 0.000 1.039 89 T CA 2.575 64.705 62.100 0.050 0.000 1.150 89 T CB -0.810 68.082 68.868 0.040 0.000 0.864 89 T HN 0.325 nan 8.240 nan 0.000 0.427 90 T N 2.048 116.622 114.554 0.033 0.000 2.684 90 T HA -0.110 4.242 4.350 0.002 0.000 0.267 90 T C 2.279 176.997 174.700 0.030 0.000 1.036 90 T CA 1.960 64.077 62.100 0.028 0.000 1.148 90 T CB -1.070 67.810 68.868 0.021 0.000 0.863 90 T HN 0.563 nan 8.240 nan 0.000 0.436 91 T N 2.180 116.753 114.554 0.031 0.000 2.684 91 T HA -0.092 4.259 4.350 0.002 0.000 0.267 91 T C 2.405 177.128 174.700 0.037 0.000 1.036 91 T CA 1.277 63.395 62.100 0.030 0.000 1.148 91 T CB -0.644 68.240 68.868 0.027 0.000 0.863 91 T HN 0.448 nan 8.240 nan 0.000 0.436 92 A N 1.407 124.259 122.820 0.053 0.000 1.902 92 A HA -0.132 4.189 4.320 0.002 0.000 0.217 92 A C 2.575 180.195 177.584 0.060 0.000 1.181 92 A CA 2.096 54.176 52.037 0.073 0.000 0.623 92 A CB -1.242 17.830 19.000 0.120 0.000 0.818 92 A HN 0.502 nan 8.150 nan 0.000 0.443 93 T N -0.509 114.074 114.554 0.048 0.000 2.777 93 T HA -0.090 4.262 4.350 0.002 0.000 0.266 93 T C 1.874 176.593 174.700 0.031 0.000 1.040 93 T CA 1.386 63.509 62.100 0.037 0.000 1.141 93 T CB -0.430 68.456 68.868 0.030 0.000 0.868 93 T HN 0.136 nan 8.240 nan 0.000 0.444 94 V N 1.599 121.531 119.914 0.029 0.000 2.287 94 V HA -0.149 3.973 4.120 0.002 0.000 0.248 94 V C 2.504 178.613 176.094 0.025 0.000 1.053 94 V CA 1.595 63.910 62.300 0.025 0.000 1.027 94 V CB -0.656 31.180 31.823 0.022 0.000 0.646 94 V HN 0.428 nan 8.190 nan 0.000 0.447 95 L N -0.274 120.965 121.223 0.028 0.000 2.046 95 L HA -0.152 4.189 4.340 0.002 0.000 0.208 95 L C 2.728 179.615 176.870 0.029 0.000 1.077 95 L CA 1.558 56.413 54.840 0.026 0.000 0.747 95 L CB -0.834 41.240 42.059 0.024 0.000 0.896 95 L HN 0.364 nan 8.230 nan 0.000 0.432 96 A N 0.709 123.550 122.820 0.036 0.000 1.865 96 A HA -0.302 4.020 4.320 0.002 0.000 0.217 96 A C 2.212 179.814 177.584 0.029 0.000 1.191 96 A CA 2.049 54.108 52.037 0.037 0.000 0.623 96 A CB -0.737 18.289 19.000 0.043 0.000 0.826 96 A HN 0.579 nan 8.150 nan 0.000 0.444 97 Q N -0.195 119.621 119.800 0.026 0.000 2.226 97 Q HA 0.087 4.428 4.340 0.002 0.000 0.204 97 Q C 1.786 177.799 176.000 0.021 0.000 0.975 97 Q CA 2.142 57.958 55.803 0.023 0.000 0.866 97 Q CB -0.570 28.181 28.738 0.021 0.000 0.915 97 Q HN 0.489 nan 8.270 nan 0.000 0.440 98 A N 1.022 123.855 122.820 0.021 0.000 1.854 98 A HA 0.004 4.326 4.320 0.002 0.000 0.214 98 A C 2.171 179.766 177.584 0.019 0.000 1.192 98 A CA 1.247 53.296 52.037 0.019 0.000 0.611 98 A CB -0.600 18.411 19.000 0.019 0.000 0.832 98 A HN 0.427 nan 8.150 nan 0.000 0.442 99 I N -0.185 120.397 120.570 0.020 0.000 2.286 99 I HA -0.250 3.921 4.170 0.002 0.000 0.248 99 I C 2.255 178.384 176.117 0.020 0.000 1.115 99 I CA 1.122 62.434 61.300 0.019 0.000 1.392 99 I CB -0.384 37.629 38.000 0.020 0.000 1.065 99 I HN 0.300 nan 8.210 nan 0.000 0.418 100 I N 0.439 121.022 120.570 0.021 0.000 2.127 100 I HA -0.294 3.877 4.170 0.002 0.000 0.241 100 I C 2.582 178.710 176.117 0.019 0.000 1.075 100 I CA 1.804 63.117 61.300 0.021 0.000 1.334 100 I CB -0.601 37.412 38.000 0.022 0.000 1.040 100 I HN 0.210 nan 8.210 nan 0.000 0.405 101 T N -0.105 114.460 114.554 0.018 0.000 2.777 101 T HA -0.118 4.233 4.350 0.002 0.000 0.266 101 T C 1.772 176.482 174.700 0.016 0.000 1.040 101 T CA 1.078 63.188 62.100 0.017 0.000 1.141 101 T CB -0.150 68.728 68.868 0.016 0.000 0.868 101 T HN 0.260 nan 8.240 nan 0.000 0.444 102 E N 0.673 120.882 120.200 0.015 0.000 2.274 102 E HA 0.047 4.398 4.350 0.002 0.000 0.194 102 E C 2.418 179.027 176.600 0.014 0.000 0.996 102 E CA 0.614 57.022 56.400 0.014 0.000 0.840 102 E CB -0.484 29.224 29.700 0.014 0.000 0.772 102 E HN 0.573 nan 8.360 nan 0.000 0.491 103 G N 0.891 109.700 108.800 0.015 0.000 2.396 103 G HA2 -0.130 3.831 3.960 0.002 0.000 0.214 103 G HA3 -0.130 3.831 3.960 0.002 0.000 0.214 103 G C 1.726 176.635 174.900 0.016 0.000 1.166 103 G CA 0.020 45.129 45.100 0.015 0.000 0.793 103 G HN 0.144 nan 8.290 nan 0.000 0.533 104 L N 0.373 121.606 121.223 0.016 0.000 2.042 104 L HA -0.090 4.251 4.340 0.002 0.000 0.210 104 L C 2.804 179.683 176.870 0.015 0.000 1.076 104 L CA 1.592 56.441 54.840 0.017 0.000 0.749 104 L CB -0.306 41.764 42.059 0.017 0.000 0.893 104 L HN 0.234 nan 8.230 nan 0.000 0.432 105 K N 0.421 120.829 120.400 0.014 0.000 2.044 105 K HA -0.257 4.065 4.320 0.002 0.000 0.210 105 K C 2.080 178.687 176.600 0.012 0.000 1.049 105 K CA 1.724 58.019 56.287 0.012 0.000 0.927 105 K CB -0.124 32.383 32.500 0.012 0.000 0.713 105 K HN 0.296 nan 8.250 nan 0.000 0.443 106 A N 0.531 123.358 122.820 0.012 0.000 1.898 106 A HA -0.072 4.250 4.320 0.002 0.000 0.216 106 A C 2.250 179.841 177.584 0.012 0.000 1.181 106 A CA 1.453 53.497 52.037 0.012 0.000 0.620 106 A CB -0.540 18.467 19.000 0.012 0.000 0.819 106 A HN 0.185 nan 8.150 nan 0.000 0.442 107 V N -0.131 119.791 119.914 0.014 0.000 2.343 107 V HA -0.254 3.868 4.120 0.002 0.000 0.247 107 V C 2.983 179.086 176.094 0.015 0.000 1.051 107 V CA 2.014 64.323 62.300 0.016 0.000 1.036 107 V CB -1.054 30.780 31.823 0.018 0.000 0.654 107 V HN 0.606 nan 8.190 nan 0.000 0.451 108 A N -0.424 122.405 122.820 0.014 0.000 2.016 108 A HA 0.123 4.444 4.320 0.002 0.000 0.217 108 A C 2.313 179.903 177.584 0.011 0.000 1.162 108 A CA 1.411 53.456 52.037 0.013 0.000 0.662 108 A CB -0.483 18.524 19.000 0.013 0.000 0.812 108 A HN 0.542 nan 8.150 nan 0.000 0.450 109 A N -1.585 121.241 122.820 0.010 0.000 2.066 109 A HA 0.362 4.683 4.320 0.002 0.000 0.218 109 A C 1.793 179.382 177.584 0.009 0.000 1.157 109 A CA 1.547 53.590 52.037 0.009 0.000 0.670 109 A CB -0.670 18.335 19.000 0.008 0.000 0.804 109 A HN 1.800 nan 8.150 nan 0.000 0.453 110 G N -2.696 106.110 108.800 0.010 0.000 2.143 110 G HA2 -0.140 3.822 3.960 0.002 0.000 0.175 110 G HA3 -0.140 3.822 3.960 0.002 0.000 0.175 110 G C -0.058 174.848 174.900 0.010 0.000 1.004 110 G CA 0.058 45.165 45.100 0.010 0.000 0.671 110 G HN 0.248 nan 8.290 nan 0.000 0.512 111 M N 1.209 120.815 119.600 0.011 0.000 2.238 111 M HA 0.322 4.804 4.480 0.002 0.000 0.347 111 M C 0.744 177.051 176.300 0.012 0.000 1.173 111 M CA -0.634 54.673 55.300 0.010 0.000 1.147 111 M CB 0.395 33.001 32.600 0.010 0.000 1.547 111 M HN 0.266 nan 8.290 nan 0.000 0.455 112 N N 4.111 122.818 118.700 0.011 0.000 2.374 112 N HA 0.007 4.749 4.740 0.002 0.000 0.269 112 N C -2.050 173.468 175.510 0.014 0.000 1.310 112 N CA -1.087 51.971 53.050 0.013 0.000 0.877 112 N CB 0.508 39.002 38.487 0.011 0.000 1.096 112 N HN 0.293 nan 8.380 nan 0.000 0.484 113 P HA -0.152 nan 4.420 nan 0.000 0.218 113 P C 1.227 178.536 177.300 0.015 0.000 1.148 113 P CA 1.120 64.230 63.100 0.016 0.000 0.822 113 P CB 0.139 31.851 31.700 0.019 0.000 0.784 114 M N -0.923 118.686 119.600 0.015 0.000 2.236 114 M HA -0.048 4.434 4.480 0.002 0.000 0.266 114 M C 1.326 177.633 176.300 0.012 0.000 1.070 114 M CA 1.673 56.981 55.300 0.014 0.000 1.137 114 M CB -0.832 31.776 32.600 0.014 0.000 1.378 114 M HN -0.255 nan 8.290 nan 0.000 0.426 115 D N -0.367 120.040 120.400 0.011 0.000 2.194 115 D HA -0.043 4.598 4.640 0.002 0.000 0.204 115 D C 2.052 178.358 176.300 0.010 0.000 0.964 115 D CA 0.955 54.961 54.000 0.010 0.000 0.846 115 D CB -0.085 40.720 40.800 0.009 0.000 0.962 115 D HN 0.349 nan 8.370 nan 0.000 0.490 116 L N 0.857 122.087 121.223 0.011 0.000 2.012 116 L HA -0.199 4.143 4.340 0.002 0.000 0.210 116 L C 2.575 179.452 176.870 0.012 0.000 1.073 116 L CA 1.262 56.109 54.840 0.012 0.000 0.748 116 L CB -0.352 41.714 42.059 0.013 0.000 0.891 116 L HN -0.024 nan 8.230 nan 0.000 0.431 117 K N 0.412 120.819 120.400 0.013 0.000 2.009 117 K HA -0.214 4.107 4.320 0.002 0.000 0.210 117 K C 2.284 178.891 176.600 0.012 0.000 1.049 117 K CA 1.575 57.870 56.287 0.013 0.000 0.929 117 K CB -0.036 32.472 32.500 0.014 0.000 0.714 117 K HN 0.177 nan 8.250 nan 0.000 0.440 118 R N -0.578 119.928 120.500 0.011 0.000 2.127 118 R HA -0.120 4.221 4.340 0.002 0.000 0.238 118 R C 2.395 178.700 176.300 0.008 0.000 1.134 118 R CA 1.358 57.464 56.100 0.009 0.000 0.975 118 R CB -0.402 29.903 30.300 0.009 0.000 0.865 118 R HN 0.393 nan 8.270 nan 0.000 0.447 119 G N 0.715 109.520 108.800 0.008 0.000 2.408 119 G HA2 -0.162 3.799 3.960 0.002 0.000 0.215 119 G HA3 -0.162 3.799 3.960 0.002 0.000 0.215 119 G C 1.423 176.327 174.900 0.007 0.000 1.156 119 G CA 0.276 45.381 45.100 0.008 0.000 0.793 119 G HN 0.131 nan 8.290 nan 0.000 0.535 120 I N 1.098 121.674 120.570 0.009 0.000 2.127 120 I HA -0.168 4.003 4.170 0.002 0.000 0.241 120 I C 2.396 178.517 176.117 0.007 0.000 1.075 120 I CA 1.346 62.652 61.300 0.009 0.000 1.334 120 I CB -0.196 37.811 38.000 0.012 0.000 1.040 120 I HN 0.059 nan 8.210 nan 0.000 0.405 121 D N 0.893 121.298 120.400 0.008 0.000 2.106 121 D HA -0.255 4.386 4.640 0.002 0.000 0.191 121 D C 2.072 178.374 176.300 0.004 0.000 0.997 121 D CA 1.471 55.475 54.000 0.007 0.000 0.834 121 D CB -0.302 40.503 40.800 0.009 0.000 0.956 121 D HN 0.294 nan 8.370 nan 0.000 0.448 122 K N 0.684 121.087 120.400 0.004 0.000 2.103 122 K HA -0.123 4.199 4.320 0.002 0.000 0.207 122 K C 1.981 178.582 176.600 0.001 0.000 1.048 122 K CA 1.324 57.613 56.287 0.003 0.000 0.930 122 K CB -0.010 32.492 32.500 0.004 0.000 0.716 122 K HN 0.036 nan 8.250 nan 0.000 0.444 123 A N 0.402 123.223 122.820 0.002 0.000 1.929 123 A HA -0.064 4.257 4.320 0.002 0.000 0.216 123 A C 2.191 179.773 177.584 -0.003 0.000 1.176 123 A CA 1.319 53.356 52.037 0.001 0.000 0.628 123 A CB -0.468 18.534 19.000 0.003 0.000 0.816 123 A HN 0.156 nan 8.150 nan 0.000 0.444 124 V N 0.024 119.935 119.914 -0.004 0.000 2.295 124 V HA -0.251 3.870 4.120 0.002 0.000 0.246 124 V C 2.767 178.853 176.094 -0.014 0.000 1.049 124 V CA 2.542 64.835 62.300 -0.011 0.000 1.024 124 V CB -1.379 30.438 31.823 -0.011 0.000 0.648 124 V HN 0.617 nan 8.190 nan 0.000 0.447 125 T N 0.656 115.205 114.554 -0.009 0.000 2.607 125 T HA -0.256 4.095 4.350 0.002 0.000 0.267 125 T C 2.078 176.773 174.700 -0.008 0.000 1.049 125 T CA 1.947 64.042 62.100 -0.008 0.000 1.162 125 T CB -0.617 68.249 68.868 -0.004 0.000 0.863 125 T HN 0.584 nan 8.240 nan 0.000 0.424 126 A N 1.586 124.402 122.820 -0.005 0.000 1.883 126 A HA 0.064 4.385 4.320 0.002 0.000 0.217 126 A C 2.681 180.261 177.584 -0.007 0.000 1.186 126 A CA 2.142 54.177 52.037 -0.004 0.000 0.624 126 A CB -1.252 17.747 19.000 -0.002 0.000 0.822 126 A HN 0.548 nan 8.150 nan 0.000 0.444 127 A N -0.821 121.994 122.820 -0.009 0.000 1.933 127 A HA 0.034 4.356 4.320 0.002 0.000 0.218 127 A C 2.236 179.810 177.584 -0.017 0.000 1.175 127 A CA 1.724 53.754 52.037 -0.011 0.000 0.628 127 A CB -0.848 18.145 19.000 -0.012 0.000 0.814 127 A HN 0.385 nan 8.150 nan 0.000 0.444 128 V N 0.342 120.242 119.914 -0.023 0.000 2.295 128 V HA -0.208 3.913 4.120 0.002 0.000 0.246 128 V C 2.550 178.633 176.094 -0.020 0.000 1.049 128 V CA 2.116 64.398 62.300 -0.029 0.000 1.024 128 V CB -0.652 31.150 31.823 -0.035 0.000 0.648 128 V HN 0.545 nan 8.190 nan 0.000 0.447 129 E N -0.270 119.921 120.200 -0.014 0.000 2.106 129 E HA -0.182 4.170 4.350 0.002 0.000 0.192 129 E C 2.242 178.838 176.600 -0.007 0.000 0.984 129 E CA 0.906 57.300 56.400 -0.009 0.000 0.806 129 E CB -0.216 29.480 29.700 -0.006 0.000 0.750 129 E HN 0.632 nan 8.360 nan 0.000 0.458 130 E N 0.796 120.992 120.200 -0.006 0.000 2.051 130 E HA -0.118 4.233 4.350 0.002 0.000 0.192 130 E C 2.408 179.006 176.600 -0.004 0.000 0.991 130 E CA 0.572 56.971 56.400 -0.003 0.000 0.799 130 E CB -0.215 29.484 29.700 -0.002 0.000 0.748 130 E HN 0.276 nan 8.360 nan 0.000 0.449 131 L N 0.645 121.863 121.223 -0.008 0.000 2.141 131 L HA -0.176 4.166 4.340 0.002 0.000 0.209 131 L C 2.388 179.253 176.870 -0.009 0.000 1.094 131 L CA 0.917 55.751 54.840 -0.009 0.000 0.763 131 L CB -0.196 41.852 42.059 -0.017 0.000 0.908 131 L HN -0.008 nan 8.230 nan 0.000 0.437 132 K N 0.308 120.702 120.400 -0.010 0.000 2.025 132 K HA -0.085 4.237 4.320 0.002 0.000 0.207 132 K C 2.183 178.781 176.600 -0.003 0.000 1.049 132 K CA 1.472 57.755 56.287 -0.007 0.000 0.933 132 K CB -0.547 31.949 32.500 -0.007 0.000 0.714 132 K HN 0.230 nan 8.250 nan 0.000 0.438 133 A N 0.037 122.856 122.820 -0.002 0.000 1.972 133 A HA -0.117 4.204 4.320 0.002 0.000 0.219 133 A C 1.793 179.378 177.584 0.002 0.000 1.169 133 A CA 1.371 53.408 52.037 0.000 0.000 0.635 133 A CB -0.426 18.575 19.000 0.001 0.000 0.810 133 A HN 0.183 nan 8.150 nan 0.000 0.446 134 L N -0.338 120.887 121.223 0.002 0.000 2.554 134 L HA 0.137 4.478 4.340 0.002 0.000 0.226 134 L C 1.354 178.226 176.870 0.004 0.000 1.137 134 L CA 0.576 55.419 54.840 0.005 0.000 0.863 134 L CB -0.206 41.857 42.059 0.006 0.000 0.985 134 L HN 0.216 nan 8.230 nan 0.000 0.451 135 S N 0.318 116.019 115.700 0.001 0.000 2.437 135 S HA 0.099 4.570 4.470 0.002 0.000 0.304 135 S C 0.156 174.758 174.600 0.002 0.000 1.167 135 S CA -0.442 57.759 58.200 0.001 0.000 1.106 135 S CB -0.091 63.108 63.200 -0.001 0.000 1.099 135 S HN 0.098 nan 8.310 nan 0.000 0.524 136 V N 8.876 128.792 119.914 0.003 0.000 2.509 136 V HA 0.230 4.352 4.120 0.002 0.000 0.297 136 V C -1.714 174.382 176.094 0.003 0.000 1.014 136 V CA -0.498 61.804 62.300 0.004 0.000 1.127 136 V CB 0.065 31.890 31.823 0.005 0.000 0.925 136 V HN 0.933 nan 8.190 nan 0.000 0.480 137 P HA -0.208 nan 4.420 nan 0.000 0.018 137 P C 0.321 177.622 177.300 0.002 0.000 0.973 137 P CA 1.127 64.229 63.100 0.003 0.000 1.031 137 P CB -1.794 29.907 31.700 0.002 0.000 1.901 138 C N 0.536 119.837 119.300 0.002 0.000 2.662 138 C HA 0.423 4.885 4.460 0.002 0.000 0.420 138 C C 2.050 177.041 174.990 0.001 0.000 1.314 138 C CA 1.282 60.301 59.018 0.001 0.000 1.963 138 C CB -0.290 27.451 27.740 0.001 0.000 2.686 138 C HN 0.626 nan 8.230 nan 0.000 0.609 139 S N 1.639 117.340 115.700 0.000 0.000 2.138 139 S HA 0.036 4.508 4.470 0.002 0.000 0.214 139 S C -0.336 174.263 174.600 -0.001 0.000 0.829 139 S CA 0.157 58.357 58.200 0.000 0.000 1.385 139 S CB -0.783 62.417 63.200 0.001 0.000 0.905 139 S HN 0.900 nan 8.310 nan 0.000 0.374 140 D N 2.768 123.167 120.400 -0.001 0.000 2.424 140 D HA 0.252 4.893 4.640 0.002 0.000 0.244 140 D C 0.310 176.608 176.300 -0.003 0.000 1.134 140 D CA 0.203 54.201 54.000 -0.002 0.000 0.881 140 D CB 1.343 42.142 40.800 -0.002 0.000 1.191 140 D HN 0.217 nan 8.370 nan 0.000 0.445 141 S N 1.841 117.538 115.700 -0.004 0.000 2.474 141 S HA -0.153 4.318 4.470 0.002 0.000 0.235 141 S C 1.638 176.234 174.600 -0.006 0.000 0.997 141 S CA 0.573 58.770 58.200 -0.005 0.000 0.949 141 S CB -0.113 63.084 63.200 -0.006 0.000 0.766 141 S HN 0.631 nan 8.310 nan 0.000 0.517 142 K N 2.019 122.415 120.400 -0.006 0.000 2.025 142 K HA -0.036 4.285 4.320 0.002 0.000 0.207 142 K C 2.274 178.869 176.600 -0.007 0.000 1.049 142 K CA 1.193 57.475 56.287 -0.007 0.000 0.933 142 K CB -0.417 32.080 32.500 -0.006 0.000 0.714 142 K HN 0.273 nan 8.250 nan 0.000 0.438 143 A N 1.520 124.336 122.820 -0.006 0.000 1.908 143 A HA -0.149 4.173 4.320 0.002 0.000 0.218 143 A C 2.107 179.687 177.584 -0.006 0.000 1.181 143 A CA 1.675 53.709 52.037 -0.006 0.000 0.627 143 A CB -0.676 18.323 19.000 -0.003 0.000 0.818 143 A HN 0.392 nan 8.150 nan 0.000 0.445 144 I N -0.223 120.344 120.570 -0.006 0.000 2.127 144 I HA -0.314 3.857 4.170 0.002 0.000 0.241 144 I C 2.989 179.100 176.117 -0.010 0.000 1.075 144 I CA 1.246 62.541 61.300 -0.007 0.000 1.334 144 I CB -0.519 37.477 38.000 -0.007 0.000 1.040 144 I HN 0.357 nan 8.210 nan 0.000 0.405 145 A N 0.150 122.963 122.820 -0.011 0.000 1.940 145 A HA -0.260 4.061 4.320 0.002 0.000 0.219 145 A C 2.275 179.851 177.584 -0.014 0.000 1.176 145 A CA 1.662 53.692 52.037 -0.013 0.000 0.631 145 A CB -0.617 18.375 19.000 -0.012 0.000 0.814 145 A HN 0.503 nan 8.150 nan 0.000 0.446 146 Q N -0.419 119.373 119.800 -0.013 0.000 2.046 146 Q HA -0.130 4.211 4.340 0.002 0.000 0.200 146 Q C 2.248 178.239 176.000 -0.014 0.000 0.975 146 Q CA 2.092 57.886 55.803 -0.015 0.000 0.836 146 Q CB -0.510 28.219 28.738 -0.014 0.000 0.896 146 Q HN 0.747 nan 8.270 nan 0.000 0.428 147 V N -2.174 117.734 119.914 -0.011 0.000 2.490 147 V HA -0.080 4.042 4.120 0.002 0.000 0.250 147 V C 1.982 178.069 176.094 -0.011 0.000 1.061 147 V CA 1.946 64.241 62.300 -0.010 0.000 1.064 147 V CB -1.475 30.345 31.823 -0.006 0.000 0.670 147 V HN 0.344 nan 8.190 nan 0.000 0.461 148 G N 0.267 109.059 108.800 -0.014 0.000 2.433 148 G HA2 -0.202 3.760 3.960 0.002 0.000 0.216 148 G HA3 -0.202 3.760 3.960 0.002 0.000 0.216 148 G C 1.580 176.469 174.900 -0.018 0.000 1.186 148 G CA 1.479 46.569 45.100 -0.017 0.000 0.779 148 G HN 0.478 nan 8.290 nan 0.000 0.543 149 T N 1.150 115.693 114.554 -0.018 0.000 2.867 149 T HA -0.056 4.295 4.350 0.002 0.000 0.268 149 T C 2.342 177.030 174.700 -0.019 0.000 1.057 149 T CA 0.742 62.830 62.100 -0.019 0.000 1.136 149 T CB -0.098 68.758 68.868 -0.020 0.000 0.874 149 T HN 0.101 nan 8.240 nan 0.000 0.466 150 I N 0.868 121.428 120.570 -0.018 0.000 2.142 150 I HA -0.120 4.052 4.170 0.002 0.000 0.240 150 I C 2.665 178.774 176.117 -0.013 0.000 1.078 150 I CA 1.167 62.457 61.300 -0.017 0.000 1.343 150 I CB -0.665 37.325 38.000 -0.016 0.000 1.046 150 I HN 0.143 nan 8.210 nan 0.000 0.405 151 S N -0.088 115.606 115.700 -0.010 0.000 2.368 151 S HA -0.072 4.400 4.470 0.002 0.000 0.224 151 S C 2.115 176.710 174.600 -0.008 0.000 1.029 151 S CA 1.097 59.293 58.200 -0.006 0.000 0.988 151 S CB -0.376 62.821 63.200 -0.005 0.000 0.838 151 S HN 0.437 nan 8.310 nan 0.000 0.462 152 A N 1.030 123.842 122.820 -0.013 0.000 2.239 152 A HA 0.156 4.478 4.320 0.002 0.000 0.209 152 A C 0.868 178.444 177.584 -0.013 0.000 1.171 152 A CA 0.714 52.743 52.037 -0.014 0.000 0.768 152 A CB -0.688 18.302 19.000 -0.017 0.000 0.790 152 A HN 0.775 nan 8.150 nan 0.000 0.478 153 N N -1.247 117.445 118.700 -0.014 0.000 2.862 153 N HA -0.192 4.550 4.740 0.002 0.000 0.246 153 N C 0.024 175.523 175.510 -0.019 0.000 1.101 153 N CA 0.690 53.731 53.050 -0.015 0.000 0.679 153 N CB -1.253 37.228 38.487 -0.011 0.000 0.986 153 N HN 0.453 nan 8.380 nan 0.000 0.557 154 S N -1.332 114.355 115.700 -0.022 0.000 2.827 154 S HA -0.166 4.305 4.470 0.002 0.000 0.269 154 S C -0.366 174.221 174.600 -0.022 0.000 1.323 154 S CA 0.802 58.987 58.200 -0.025 0.000 1.176 154 S CB -0.852 62.331 63.200 -0.029 0.000 1.436 154 S HN 0.675 nan 8.310 nan 0.000 0.673 155 D N 1.844 122.233 120.400 -0.019 0.000 2.359 155 D HA 0.188 4.830 4.640 0.002 0.000 0.250 155 D C 1.164 177.453 176.300 -0.018 0.000 1.264 155 D CA 0.126 54.116 54.000 -0.018 0.000 0.911 155 D CB 0.492 41.282 40.800 -0.016 0.000 1.056 155 D HN 0.511 nan 8.370 nan 0.000 0.499 156 E N 1.381 121.570 120.200 -0.018 0.000 2.110 156 E HA -0.142 4.210 4.350 0.002 0.000 0.193 156 E C 1.481 178.071 176.600 -0.016 0.000 0.988 156 E CA 1.214 57.603 56.400 -0.017 0.000 0.804 156 E CB 0.254 29.944 29.700 -0.017 0.000 0.745 156 E HN 0.472 nan 8.360 nan 0.000 0.458 157 T N 0.761 115.305 114.554 -0.015 0.000 2.732 157 T HA -0.084 4.267 4.350 0.002 0.000 0.261 157 T C 2.187 176.878 174.700 -0.016 0.000 1.040 157 T CA 0.922 63.014 62.100 -0.014 0.000 1.145 157 T CB -0.229 68.631 68.868 -0.013 0.000 0.866 157 T HN -0.035 nan 8.240 nan 0.000 0.427 158 V N 1.562 121.466 119.914 -0.017 0.000 2.427 158 V HA -0.072 4.050 4.120 0.002 0.000 0.248 158 V C 2.852 178.933 176.094 -0.021 0.000 1.051 158 V CA 1.931 64.220 62.300 -0.019 0.000 1.048 158 V CB -1.351 30.461 31.823 -0.019 0.000 0.666 158 V HN 0.612 nan 8.190 nan 0.000 0.456 159 G N 0.028 108.816 108.800 -0.019 0.000 2.421 159 G HA2 -0.322 3.639 3.960 0.002 0.000 0.216 159 G HA3 -0.322 3.639 3.960 0.002 0.000 0.216 159 G C 1.582 176.472 174.900 -0.018 0.000 1.171 159 G CA 1.174 46.263 45.100 -0.019 0.000 0.775 159 G HN 0.466 nan 8.290 nan 0.000 0.543 160 K N 0.172 120.563 120.400 -0.016 0.000 2.057 160 K HA -0.005 4.316 4.320 0.002 0.000 0.207 160 K C 2.298 178.889 176.600 -0.015 0.000 1.049 160 K CA 0.994 57.273 56.287 -0.015 0.000 0.931 160 K CB -0.715 31.777 32.500 -0.014 0.000 0.714 160 K HN 0.254 nan 8.250 nan 0.000 0.440 161 L N 0.562 121.775 121.223 -0.016 0.000 1.994 161 L HA -0.005 4.336 4.340 0.002 0.000 0.208 161 L C 2.131 178.990 176.870 -0.019 0.000 1.071 161 L CA 1.621 56.451 54.840 -0.017 0.000 0.745 161 L CB -0.383 41.665 42.059 -0.018 0.000 0.892 161 L HN 0.266 nan 8.230 nan 0.000 0.431 162 I N -0.686 119.870 120.570 -0.023 0.000 2.179 162 I HA -0.296 3.876 4.170 0.002 0.000 0.242 162 I C 2.534 178.638 176.117 -0.021 0.000 1.088 162 I CA 1.232 62.517 61.300 -0.027 0.000 1.357 162 I CB -0.611 37.368 38.000 -0.034 0.000 1.051 162 I HN 0.341 nan 8.210 nan 0.000 0.409 163 A N 0.037 122.847 122.820 -0.018 0.000 1.930 163 A HA -0.243 4.079 4.320 0.002 0.000 0.217 163 A C 2.284 179.861 177.584 -0.012 0.000 1.175 163 A CA 1.767 53.795 52.037 -0.014 0.000 0.627 163 A CB -0.548 18.444 19.000 -0.013 0.000 0.815 163 A HN 0.485 nan 8.150 nan 0.000 0.443 164 E N -0.281 119.911 120.200 -0.012 0.000 2.208 164 E HA -0.003 4.349 4.350 0.002 0.000 0.193 164 E C 2.060 178.653 176.600 -0.011 0.000 0.988 164 E CA 0.717 57.110 56.400 -0.011 0.000 0.828 164 E CB -0.197 29.497 29.700 -0.011 0.000 0.763 164 E HN 0.549 nan 8.360 nan 0.000 0.478 165 A N 0.896 123.708 122.820 -0.013 0.000 1.902 165 A HA -0.203 4.118 4.320 0.002 0.000 0.217 165 A C 2.170 179.748 177.584 -0.010 0.000 1.181 165 A CA 1.584 53.614 52.037 -0.012 0.000 0.623 165 A CB -0.459 18.532 19.000 -0.015 0.000 0.818 165 A HN 0.277 nan 8.150 nan 0.000 0.443 166 M N -1.132 118.461 119.600 -0.010 0.000 2.086 166 M HA -0.170 4.312 4.480 0.002 0.000 0.261 166 M C 1.996 178.292 176.300 -0.006 0.000 1.067 166 M CA 2.113 57.408 55.300 -0.008 0.000 1.116 166 M CB -0.620 31.975 32.600 -0.008 0.000 1.348 166 M HN 0.544 nan 8.290 nan 0.000 0.407 167 D N 0.259 120.655 120.400 -0.007 0.000 2.149 167 D HA -0.173 4.468 4.640 0.002 0.000 0.198 167 D C 1.829 178.126 176.300 -0.005 0.000 0.990 167 D CA 1.436 55.433 54.000 -0.006 0.000 0.839 167 D CB 0.284 41.080 40.800 -0.007 0.000 0.948 167 D HN 0.014 nan 8.370 nan 0.000 0.460 168 K N -0.149 120.248 120.400 -0.006 0.000 1.980 168 K HA -0.002 4.319 4.320 0.002 0.000 0.208 168 K C 2.153 178.750 176.600 -0.005 0.000 1.043 168 K CA 1.296 57.579 56.287 -0.006 0.000 0.938 168 K CB -0.961 31.535 32.500 -0.007 0.000 0.724 168 K HN 0.255 nan 8.250 nan 0.000 0.438 169 V N -2.222 117.689 119.914 -0.005 0.000 3.041 169 V HA 0.220 4.341 4.120 0.002 0.000 0.260 169 V C 0.939 177.032 176.094 -0.002 0.000 1.105 169 V CA 0.737 63.035 62.300 -0.003 0.000 1.125 169 V CB -1.243 30.579 31.823 -0.003 0.000 0.730 169 V HN 0.387 nan 8.190 nan 0.000 0.479 170 G N 0.550 109.349 108.800 -0.002 0.000 2.828 170 G HA2 -0.258 3.704 3.960 0.002 0.000 0.463 170 G HA3 -0.258 3.704 3.960 0.002 0.000 0.463 170 G C 0.149 175.049 174.900 0.000 0.000 1.394 170 G CA 0.177 45.276 45.100 -0.001 0.000 0.862 170 G HN 0.432 nan 8.290 nan 0.000 0.540 171 K N 0.240 120.641 120.400 0.001 0.000 2.281 171 K HA -0.054 4.268 4.320 0.002 0.000 0.203 171 K C 1.242 177.844 176.600 0.004 0.000 1.046 171 K CA 1.826 58.115 56.287 0.002 0.000 0.938 171 K CB 0.012 32.514 32.500 0.002 0.000 0.737 171 K HN 0.584 nan 8.250 nan 0.000 0.458 172 E N -0.179 120.023 120.200 0.003 0.000 3.521 172 E HA 0.123 4.475 4.350 0.002 0.000 0.183 172 E C -0.111 176.490 176.600 0.002 0.000 0.981 172 E CA -0.472 55.929 56.400 0.003 0.000 1.349 172 E CB 1.353 31.053 29.700 0.002 0.000 1.102 172 E HN 0.214 nan 8.360 nan 0.000 0.449 173 G N 0.237 109.038 108.800 0.002 0.000 2.557 173 G HA2 0.537 4.499 3.960 0.002 0.000 0.302 173 G HA3 0.537 4.499 3.960 0.002 0.000 0.302 173 G C -0.467 174.436 174.900 0.005 0.000 1.311 173 G CA -0.303 44.799 45.100 0.003 0.000 1.030 173 G HN 0.022 nan 8.290 nan 0.000 0.509 174 V N 0.156 120.073 119.914 0.005 0.000 2.638 174 V HA 0.442 4.564 4.120 0.002 0.000 0.306 174 V C -0.548 175.550 176.094 0.008 0.000 1.052 174 V CA -0.440 61.865 62.300 0.010 0.000 0.885 174 V CB 1.669 33.500 31.823 0.012 0.000 0.999 174 V HN 0.561 nan 8.190 nan 0.000 0.424 175 I N 4.297 124.872 120.570 0.008 0.000 2.404 175 I HA 0.682 4.853 4.170 0.002 0.000 0.293 175 I C 0.473 176.595 176.117 0.008 0.000 0.992 175 I CA -0.151 61.150 61.300 0.001 0.000 1.149 175 I CB 2.207 40.200 38.000 -0.012 0.000 1.315 175 I HN 0.819 nan 8.210 nan 0.000 0.446 176 T N 2.524 117.084 114.554 0.008 0.000 2.676 176 T HA 0.814 5.165 4.350 0.002 0.000 0.269 176 T C -0.762 173.941 174.700 0.007 0.000 0.952 176 T CA -0.876 61.237 62.100 0.021 0.000 1.040 176 T CB 2.077 70.965 68.868 0.033 0.000 1.352 176 T HN 0.425 nan 8.240 nan 0.000 0.554 177 V N -0.416 119.509 119.914 0.018 0.000 3.000 177 V HA 0.664 4.786 4.120 0.002 0.000 0.300 177 V C -2.164 173.942 176.094 0.020 0.000 1.251 177 V CA -0.502 61.804 62.300 0.010 0.000 0.972 177 V CB 2.039 33.861 31.823 -0.001 0.000 1.065 177 V HN 1.119 nan 8.190 nan 0.000 0.431 178 E N 2.764 122.972 120.200 0.013 0.000 2.331 178 E HA 0.378 4.729 4.350 0.002 0.000 0.275 178 E C -1.736 174.870 176.600 0.011 0.000 0.895 178 E CA -0.869 55.540 56.400 0.015 0.000 0.753 178 E CB 2.101 31.808 29.700 0.012 0.000 1.216 178 E HN 0.818 nan 8.360 nan 0.000 0.434 179 D N 1.739 122.147 120.400 0.014 0.000 2.479 179 D HA 0.139 4.780 4.640 0.002 0.000 0.257 179 D C 0.409 176.712 176.300 0.006 0.000 1.230 179 D CA 0.620 54.626 54.000 0.010 0.000 0.912 179 D CB 0.489 41.296 40.800 0.012 0.000 1.130 179 D HN 0.440 nan 8.370 nan 0.000 0.515 180 G N 0.999 109.801 108.800 0.004 0.000 2.599 180 G HA2 0.340 4.302 3.960 0.002 0.000 0.264 180 G HA3 0.340 4.302 3.960 0.002 0.000 0.264 180 G C 0.938 175.838 174.900 -0.000 0.000 1.200 180 G CA -0.407 44.693 45.100 0.001 0.000 0.896 180 G HN 0.506 nan 8.290 nan 0.000 0.536 181 T N -2.983 111.569 114.554 -0.002 0.000 3.003 181 T HA 0.463 4.815 4.350 0.002 0.000 0.261 181 T C 0.863 175.561 174.700 -0.004 0.000 1.003 181 T CA 0.460 62.558 62.100 -0.003 0.000 0.917 181 T CB 0.618 69.483 68.868 -0.004 0.000 1.084 181 T HN 0.881 nan 8.240 nan 0.000 0.522 182 G N 0.357 109.154 108.800 -0.004 0.000 2.730 182 G HA2 0.600 4.562 3.960 0.002 0.000 0.289 182 G HA3 0.600 4.562 3.960 0.002 0.000 0.289 182 G C -0.079 174.819 174.900 -0.004 0.000 1.341 182 G CA -1.016 44.081 45.100 -0.004 0.000 0.932 182 G HN 0.231 nan 8.290 nan 0.000 0.481 183 L N -0.381 120.839 121.223 -0.004 0.000 2.627 183 L HA 0.208 4.549 4.340 0.002 0.000 0.233 183 L C 0.432 177.299 176.870 -0.005 0.000 1.144 183 L CA 0.485 55.323 54.840 -0.004 0.000 0.892 183 L CB -0.340 41.717 42.059 -0.004 0.000 1.039 183 L HN 0.369 nan 8.230 nan 0.000 0.442 184 Q N -1.214 118.583 119.800 -0.006 0.000 2.421 184 Q HA 0.344 4.686 4.340 0.002 0.000 0.280 184 Q C -1.130 174.866 176.000 -0.007 0.000 1.085 184 Q CA -0.736 55.063 55.803 -0.007 0.000 0.807 184 Q CB 1.800 30.534 28.738 -0.007 0.000 1.405 184 Q HN -0.032 nan 8.270 nan 0.000 0.419 185 D N 0.782 121.178 120.400 -0.008 0.000 2.357 185 D HA 0.285 4.926 4.640 0.002 0.000 0.242 185 D C -0.613 175.682 176.300 -0.009 0.000 1.153 185 D CA -0.049 53.946 54.000 -0.009 0.000 0.918 185 D CB 0.693 41.487 40.800 -0.010 0.000 1.181 185 D HN 0.386 nan 8.370 nan 0.000 0.435 186 E N 0.822 121.016 120.200 -0.010 0.000 2.304 186 E HA 0.345 4.697 4.350 0.002 0.000 0.277 186 E C -1.851 174.742 176.600 -0.011 0.000 0.898 186 E CA -0.928 55.466 56.400 -0.010 0.000 0.764 186 E CB 1.269 30.963 29.700 -0.010 0.000 1.216 186 E HN 0.267 nan 8.360 nan 0.000 0.419 187 L N 4.166 125.382 121.223 -0.012 0.000 2.265 187 L HA 0.421 4.762 4.340 0.002 0.000 0.288 187 L C -0.988 175.875 176.870 -0.012 0.000 1.058 187 L CA 0.102 54.934 54.840 -0.012 0.000 0.809 187 L CB 0.952 43.003 42.059 -0.013 0.000 1.179 187 L HN 0.493 nan 8.230 nan 0.000 0.429 188 D N 3.801 124.194 120.400 -0.012 0.000 2.163 188 D HA 0.573 5.215 4.640 0.002 0.000 0.248 188 D C -0.979 175.313 176.300 -0.013 0.000 1.035 188 D CA 0.006 53.998 54.000 -0.013 0.000 0.872 188 D CB 2.249 43.041 40.800 -0.014 0.000 1.183 188 D HN 0.329 nan 8.370 nan 0.000 0.445 189 V N 1.683 121.588 119.914 -0.014 0.000 2.841 189 V HA 0.392 4.514 4.120 0.002 0.000 0.310 189 V C -0.344 175.740 176.094 -0.017 0.000 1.090 189 V CA -0.873 61.419 62.300 -0.014 0.000 0.930 189 V CB 2.371 34.187 31.823 -0.012 0.000 1.014 189 V HN 0.263 nan 8.190 nan 0.000 0.425 190 V N 2.790 122.694 119.914 -0.017 0.000 2.407 190 V HA 0.387 4.508 4.120 0.002 0.000 0.291 190 V C 0.253 176.336 176.094 -0.018 0.000 1.018 190 V CA -0.492 61.795 62.300 -0.022 0.000 0.842 190 V CB 1.611 33.416 31.823 -0.030 0.000 0.996 190 V HN 0.974 nan 8.190 nan 0.000 0.426 191 E N 3.838 124.027 120.200 -0.018 0.000 2.452 191 E HA 0.489 4.840 4.350 0.002 0.000 0.293 191 E C 0.612 177.203 176.600 -0.015 0.000 1.535 191 E CA -0.045 56.347 56.400 -0.014 0.000 1.816 191 E CB 0.629 30.321 29.700 -0.013 0.000 1.494 191 E HN 0.880 nan 8.360 nan 0.000 0.464 192 G N 0.393 109.183 108.800 -0.016 0.000 2.495 192 G HA2 0.252 4.214 3.960 0.002 0.000 0.294 192 G HA3 0.252 4.214 3.960 0.002 0.000 0.294 192 G C -1.300 173.593 174.900 -0.011 0.000 1.397 192 G CA -0.915 44.175 45.100 -0.015 0.000 0.790 192 G HN 0.120 nan 8.290 nan 0.000 0.486 193 M N 0.671 120.271 119.600 -0.000 0.000 2.249 193 M HA 0.565 5.047 4.480 0.002 0.000 0.351 193 M C -0.306 175.959 176.300 -0.058 0.000 1.180 193 M CA -0.203 55.114 55.300 0.029 0.000 1.127 193 M CB 1.412 34.075 32.600 0.105 0.000 1.546 193 M HN 0.677 nan 8.290 nan 0.000 0.461 194 Q N 4.114 123.883 119.800 -0.052 0.000 2.435 194 Q HA 0.674 5.016 4.340 0.002 0.000 0.282 194 Q C -2.101 173.859 176.000 -0.068 0.000 1.020 194 Q CA -0.685 54.974 55.803 -0.239 0.000 0.820 194 Q CB 2.418 31.065 28.738 -0.152 0.000 1.436 194 Q HN 0.707 nan 8.270 nan 0.000 0.395 195 F N -1.235 118.709 119.950 -0.010 0.000 2.807 195 F HA 0.389 4.917 4.527 0.002 0.000 0.316 195 F C -0.792 175.004 175.800 -0.006 0.000 1.162 195 F CA -1.139 56.855 58.000 -0.010 0.000 0.910 195 F CB 0.746 39.739 39.000 -0.012 0.000 1.314 195 F HN 0.393 nan 8.300 nan 0.000 0.454 196 D N 0.784 121.363 120.400 0.300 0.000 2.488 196 D HA 0.234 4.876 4.640 0.002 0.000 0.260 196 D C -0.327 176.082 176.300 0.181 0.000 1.273 196 D CA 0.855 54.963 54.000 0.179 0.000 0.912 196 D CB -0.112 40.779 40.800 0.152 0.000 0.982 196 D HN 0.447 nan 8.370 nan 0.000 0.492 197 R N -1.321 119.317 120.500 0.230 0.000 2.690 197 R HA 0.638 4.980 4.340 0.002 0.000 0.269 197 R C -0.454 175.911 176.300 0.110 0.000 1.037 197 R CA -0.714 55.482 56.100 0.160 0.000 0.877 197 R CB 1.614 32.023 30.300 0.181 0.000 1.255 197 R HN 0.148 nan 8.270 nan 0.000 0.467 198 G N 0.134 108.947 108.800 0.020 0.000 2.976 198 G HA2 0.302 4.264 3.960 0.002 0.000 0.276 198 G HA3 0.302 4.264 3.960 0.002 0.000 0.276 198 G C -1.401 173.501 174.900 0.004 0.000 1.207 198 G CA -0.503 44.576 45.100 -0.035 0.000 0.803 198 G HN 0.515 nan 8.290 nan 0.000 0.572 199 Y N -0.005 120.327 120.300 0.054 0.000 2.683 199 Y HA 0.447 4.999 4.550 0.003 0.000 0.340 199 Y C 0.918 176.869 175.900 0.084 0.000 1.245 199 Y CA -0.715 57.431 58.100 0.076 0.000 1.485 199 Y CB 0.390 38.890 38.460 0.068 0.000 1.328 199 Y HN 0.217 nan 8.280 nan 0.000 0.603 200 L N 2.216 123.661 121.223 0.369 0.000 2.607 200 L HA 0.244 4.585 4.340 0.002 0.000 0.228 200 L C 0.533 177.575 176.870 0.287 0.000 1.123 200 L CA 0.359 55.364 54.840 0.275 0.000 0.890 200 L CB 0.007 42.172 42.059 0.176 0.000 1.103 200 L HN 0.741 nan 8.230 nan 0.000 0.468 201 S N -0.481 115.404 115.700 0.309 0.000 2.566 201 S HA 0.404 4.875 4.470 0.002 0.000 0.273 201 S C -2.176 172.307 174.600 -0.195 0.000 1.157 201 S CA -0.871 57.434 58.200 0.175 0.000 0.938 201 S CB 1.744 65.052 63.200 0.181 0.000 1.087 201 S HN -0.159 nan 8.310 nan 0.000 0.474 202 P HA 0.065 nan 4.420 nan 0.000 0.235 202 P C 0.678 177.709 177.300 -0.449 0.000 1.177 202 P CA 0.509 63.182 63.100 -0.710 0.000 0.785 202 P CB -0.099 31.401 31.700 -0.334 0.000 0.885 203 Y N -1.338 118.873 120.300 -0.148 0.000 2.569 203 Y HA -0.034 4.517 4.550 0.002 0.000 0.293 203 Y C 2.160 178.073 175.900 0.023 0.000 1.144 203 Y CA 0.779 58.848 58.100 -0.052 0.000 1.321 203 Y CB -0.972 37.471 38.460 -0.029 0.000 0.982 203 Y HN -0.039 nan 8.280 nan 0.000 0.558 204 F N 0.152 120.050 119.950 -0.086 0.000 2.811 204 F HA 0.137 4.666 4.527 0.002 0.000 0.301 204 F C 0.462 176.197 175.800 -0.110 0.000 1.151 204 F CA -0.327 57.623 58.000 -0.083 0.000 1.412 204 F CB 0.107 39.061 39.000 -0.076 0.000 1.113 204 F HN -0.166 nan 8.300 nan 0.000 0.579 205 I N 3.366 123.883 120.570 -0.090 0.000 2.680 205 I HA -0.187 3.984 4.170 0.002 0.000 0.286 205 I C 1.134 177.236 176.117 -0.024 0.000 1.144 205 I CA 0.261 61.496 61.300 -0.109 0.000 1.370 205 I CB 0.104 38.038 38.000 -0.110 0.000 1.420 205 I HN 0.326 nan 8.210 nan 0.000 0.540 206 N N 6.353 125.033 118.700 -0.033 0.000 2.280 206 N HA -0.017 4.725 4.740 0.002 0.000 0.192 206 N C -0.002 175.508 175.510 -0.000 0.000 1.109 206 N CA 0.058 53.119 53.050 0.019 0.000 0.855 206 N CB 0.548 39.062 38.487 0.046 0.000 0.974 206 N HN 0.374 nan 8.380 nan 0.000 0.482 207 K N 1.412 121.800 120.400 -0.019 0.000 2.624 207 K HA 0.310 4.631 4.320 0.002 0.000 0.200 207 K C -2.074 174.518 176.600 -0.014 0.000 1.036 207 K CA -1.690 54.589 56.287 -0.014 0.000 1.029 207 K CB 2.047 34.535 32.500 -0.020 0.000 1.317 207 K HN -0.077 nan 8.250 nan 0.000 0.555 208 P HA -0.151 nan 4.420 nan 0.000 0.223 208 P C 0.539 177.833 177.300 -0.010 0.000 1.144 208 P CA 1.119 64.211 63.100 -0.012 0.000 0.783 208 P CB 0.479 32.174 31.700 -0.008 0.000 0.771 209 E N -1.213 118.983 120.200 -0.008 0.000 2.204 209 E HA -0.118 4.234 4.350 0.002 0.000 0.195 209 E C 1.730 178.325 176.600 -0.009 0.000 0.990 209 E CA 1.929 58.325 56.400 -0.007 0.000 0.821 209 E CB -0.808 28.888 29.700 -0.007 0.000 0.750 209 E HN 0.422 nan 8.360 nan 0.000 0.477 210 T N -6.109 108.439 114.554 -0.010 0.000 2.980 210 T HA 0.374 4.725 4.350 0.002 0.000 0.252 210 T C 1.571 176.267 174.700 -0.006 0.000 0.962 210 T CA 0.203 62.297 62.100 -0.010 0.000 0.932 210 T CB 0.773 69.633 68.868 -0.014 0.000 1.188 210 T HN 0.223 nan 8.240 nan 0.000 0.500 211 G N 1.574 110.372 108.800 -0.003 0.000 2.141 211 G HA2 0.106 4.068 3.960 0.002 0.000 0.231 211 G HA3 0.106 4.068 3.960 0.002 0.000 0.231 211 G C 0.201 175.120 174.900 0.033 0.000 0.984 211 G CA -0.088 45.021 45.100 0.014 0.000 0.660 211 G HN 1.199 nan 8.290 nan 0.000 0.525 212 A N -0.457 122.363 122.820 0.001 0.000 2.293 212 A HA 0.824 5.146 4.320 0.002 0.000 0.302 212 A C 0.254 177.799 177.584 -0.064 0.000 1.119 212 A CA -0.151 51.879 52.037 -0.012 0.000 0.823 212 A CB 1.575 20.555 19.000 -0.033 0.000 1.097 212 A HN 1.134 nan 8.150 nan 0.000 0.491 213 V N 2.226 122.080 119.914 -0.101 0.000 2.394 213 V HA 0.269 4.391 4.120 0.002 0.000 0.282 213 V C -0.038 175.905 176.094 -0.251 0.000 1.031 213 V CA -0.339 61.783 62.300 -0.297 0.000 0.881 213 V CB 1.011 32.574 31.823 -0.434 0.000 0.982 213 V HN 0.932 nan 8.190 nan 0.000 0.451 214 E N 5.373 125.425 120.200 -0.248 0.000 2.134 214 E HA 0.503 4.854 4.350 0.002 0.000 0.278 214 E C -1.121 175.407 176.600 -0.119 0.000 0.959 214 E CA -0.455 55.862 56.400 -0.139 0.000 0.783 214 E CB 1.856 31.510 29.700 -0.077 0.000 1.095 214 E HN 0.536 nan 8.360 nan 0.000 0.399 215 L N 3.399 124.579 121.223 -0.071 0.000 2.313 215 L HA 0.302 4.643 4.340 0.002 0.000 0.273 215 L C -0.071 176.796 176.870 -0.005 0.000 1.028 215 L CA -0.697 54.139 54.840 -0.008 0.000 0.871 215 L CB 0.856 42.924 42.059 0.016 0.000 1.242 215 L HN 0.432 nan 8.230 nan 0.000 0.434 216 E N 1.504 121.704 120.200 0.000 0.000 2.338 216 E HA 0.044 4.395 4.350 0.002 0.000 0.272 216 E C 0.532 177.117 176.600 -0.026 0.000 1.029 216 E CA 0.162 56.555 56.400 -0.012 0.000 0.872 216 E CB 1.121 30.817 29.700 -0.007 0.000 1.015 216 E HN 0.406 nan 8.360 nan 0.000 0.417 217 S N 5.049 120.724 115.700 -0.041 0.000 3.507 217 S HA -0.124 4.347 4.470 0.002 0.000 0.139 217 S C -2.231 172.299 174.600 -0.117 0.000 0.333 217 S CA -0.064 58.094 58.200 -0.070 0.000 1.411 217 S CB -0.681 62.472 63.200 -0.078 0.000 0.973 217 S HN 0.338 nan 8.310 nan 0.000 0.248 218 P HA 0.460 nan 4.420 nan 0.000 0.284 218 P C -0.098 177.136 177.300 -0.111 0.000 1.287 218 P CA -0.859 62.201 63.100 -0.067 0.000 0.824 218 P CB 0.510 32.236 31.700 0.042 0.000 1.180 219 F N -0.477 119.500 119.950 0.045 0.000 2.380 219 F HA 0.414 4.943 4.527 0.002 0.000 0.325 219 F C 0.890 176.720 175.800 0.051 0.000 1.136 219 F CA -0.006 58.019 58.000 0.042 0.000 1.171 219 F CB 0.297 39.320 39.000 0.037 0.000 1.230 219 F HN 0.011 nan 8.300 nan 0.000 0.554 220 I N 3.142 123.879 120.570 0.280 0.000 2.512 220 I HA 0.293 4.464 4.170 0.002 0.000 0.287 220 I C -1.487 174.699 176.117 0.115 0.000 1.069 220 I CA -0.780 60.621 61.300 0.168 0.000 1.056 220 I CB 2.040 40.122 38.000 0.137 0.000 1.229 220 I HN 0.262 nan 8.210 nan 0.000 0.429 221 L N 7.835 129.107 121.223 0.082 0.000 2.329 221 L HA 0.684 5.025 4.340 0.002 0.000 0.279 221 L C -1.389 175.501 176.870 0.033 0.000 1.014 221 L CA -0.251 54.613 54.840 0.039 0.000 0.814 221 L CB 1.559 43.631 42.059 0.021 0.000 1.257 221 L HN 0.449 nan 8.230 nan 0.000 0.424 222 L N 5.327 126.559 121.223 0.014 0.000 2.381 222 L HA 0.908 5.249 4.340 0.002 0.000 0.274 222 L C -0.673 176.193 176.870 -0.007 0.000 0.988 222 L CA -0.646 54.194 54.840 -0.000 0.000 0.824 222 L CB 1.775 43.828 42.059 -0.010 0.000 1.263 222 L HN 0.776 nan 8.230 nan 0.000 0.410 223 A N 1.049 123.864 122.820 -0.008 0.000 2.427 223 A HA 0.409 4.730 4.320 0.002 0.000 0.298 223 A C -0.132 177.446 177.584 -0.011 0.000 1.036 223 A CA -0.432 51.600 52.037 -0.007 0.000 0.701 223 A CB 1.700 20.699 19.000 -0.000 0.000 1.250 223 A HN 0.708 nan 8.150 nan 0.000 0.412 224 D N 0.905 121.298 120.400 -0.012 0.000 2.277 224 D HA -0.009 4.632 4.640 0.002 0.000 0.208 224 D C 0.592 176.890 176.300 -0.004 0.000 0.962 224 D CA 0.922 54.914 54.000 -0.012 0.000 0.865 224 D CB 0.227 41.019 40.800 -0.013 0.000 0.939 224 D HN 0.630 nan 8.370 nan 0.000 0.510 225 K N 0.616 121.016 120.400 -0.000 0.000 2.098 225 K HA 0.194 4.515 4.320 0.002 0.000 0.257 225 K C 0.147 176.753 176.600 0.009 0.000 0.999 225 K CA -0.740 55.549 56.287 0.004 0.000 0.924 225 K CB 0.540 33.042 32.500 0.003 0.000 1.028 225 K HN -0.197 nan 8.250 nan 0.000 0.466 226 K N 1.729 122.136 120.400 0.013 0.000 2.249 226 K HA 0.282 4.603 4.320 0.002 0.000 0.280 226 K C -0.633 175.977 176.600 0.016 0.000 1.033 226 K CA -0.412 55.885 56.287 0.018 0.000 0.946 226 K CB 0.469 32.981 32.500 0.020 0.000 1.005 226 K HN 0.581 nan 8.250 nan 0.000 0.469 227 I N 2.088 122.670 120.570 0.019 0.000 2.359 227 I HA 0.055 4.226 4.170 0.002 0.000 0.294 227 I C 0.615 176.743 176.117 0.017 0.000 0.987 227 I CA -0.323 60.987 61.300 0.017 0.000 1.225 227 I CB 1.851 39.862 38.000 0.019 0.000 1.366 227 I HN 0.858 nan 8.210 nan 0.000 0.466 228 S N 3.503 119.211 115.700 0.012 0.000 2.691 228 S HA 0.257 4.728 4.470 0.002 0.000 0.258 228 S C 0.205 174.809 174.600 0.007 0.000 1.078 228 S CA -0.091 58.116 58.200 0.011 0.000 1.000 228 S CB 0.264 63.470 63.200 0.010 0.000 0.942 228 S HN 0.719 nan 8.310 nan 0.000 0.521 229 N N 0.837 119.539 118.700 0.005 0.000 2.362 229 N HA 0.400 5.142 4.740 0.002 0.000 0.298 229 N C 0.179 175.689 175.510 -0.000 0.000 1.048 229 N CA -0.350 52.701 53.050 0.001 0.000 0.858 229 N CB 1.601 40.088 38.487 -0.000 0.000 1.218 229 N HN -0.005 nan 8.380 nan 0.000 0.488 230 I N 1.999 122.568 120.570 -0.003 0.000 2.567 230 I HA -0.145 4.027 4.170 0.002 0.000 0.257 230 I C 2.326 178.439 176.117 -0.007 0.000 1.184 230 I CA 1.131 62.428 61.300 -0.005 0.000 1.451 230 I CB -0.273 37.721 38.000 -0.008 0.000 1.089 230 I HN 0.584 nan 8.210 nan 0.000 0.441 231 R N 0.652 121.148 120.500 -0.006 0.000 2.153 231 R HA -0.264 4.077 4.340 0.002 0.000 0.252 231 R C 1.878 178.173 176.300 -0.007 0.000 1.158 231 R CA 2.241 58.337 56.100 -0.007 0.000 0.975 231 R CB -0.282 30.015 30.300 -0.005 0.000 0.871 231 R HN 0.527 nan 8.270 nan 0.000 0.450 232 E N -1.101 119.096 120.200 -0.005 0.000 2.347 232 E HA -0.112 4.240 4.350 0.002 0.000 0.196 232 E C 1.648 178.243 176.600 -0.008 0.000 1.008 232 E CA 0.604 57.001 56.400 -0.005 0.000 0.852 232 E CB 0.196 29.895 29.700 -0.001 0.000 0.783 232 E HN 0.323 nan 8.360 nan 0.000 0.505 233 M N -0.472 119.123 119.600 -0.008 0.000 2.638 233 M HA 0.117 4.599 4.480 0.002 0.000 0.256 233 M C 2.027 178.316 176.300 -0.017 0.000 1.282 233 M CA 0.339 55.633 55.300 -0.011 0.000 1.155 233 M CB -0.178 32.419 32.600 -0.006 0.000 1.345 233 M HN 0.119 nan 8.290 nan 0.000 0.523 234 L N 0.716 121.929 121.223 -0.016 0.000 2.064 234 L HA -0.244 4.097 4.340 0.002 0.000 0.216 234 L C -0.574 176.282 176.870 -0.023 0.000 1.077 234 L CA 1.944 56.773 54.840 -0.018 0.000 0.766 234 L CB -2.029 40.022 42.059 -0.015 0.000 0.890 234 L HN 0.171 nan 8.230 nan 0.000 0.435 235 P HA -0.147 nan 4.420 nan 0.000 0.215 235 P C 1.847 179.121 177.300 -0.043 0.000 1.153 235 P CA 1.220 64.302 63.100 -0.030 0.000 0.853 235 P CB 0.067 31.750 31.700 -0.028 0.000 0.788 236 V N -0.871 119.012 119.914 -0.051 0.000 2.407 236 V HA -0.155 3.966 4.120 0.002 0.000 0.245 236 V C 2.445 178.496 176.094 -0.072 0.000 1.041 236 V CA 1.171 63.424 62.300 -0.078 0.000 1.040 236 V CB -1.109 30.666 31.823 -0.080 0.000 0.671 236 V HN 0.060 nan 8.190 nan 0.000 0.455 237 L N 0.124 121.321 121.223 -0.043 0.000 1.970 237 L HA -0.245 4.097 4.340 0.002 0.000 0.212 237 L C 2.728 179.583 176.870 -0.024 0.000 1.071 237 L CA 2.278 57.101 54.840 -0.028 0.000 0.751 237 L CB -0.285 41.763 42.059 -0.019 0.000 0.889 237 L HN 0.400 nan 8.230 nan 0.000 0.432 238 E N -0.113 120.073 120.200 -0.023 0.000 2.153 238 E HA -0.209 4.143 4.350 0.002 0.000 0.194 238 E C 1.890 178.479 176.600 -0.018 0.000 0.988 238 E CA 1.466 57.856 56.400 -0.017 0.000 0.811 238 E CB -0.077 29.614 29.700 -0.016 0.000 0.746 238 E HN 0.480 nan 8.360 nan 0.000 0.466 239 A N -0.175 122.623 122.820 -0.037 0.000 1.929 239 A HA -0.068 4.254 4.320 0.002 0.000 0.216 239 A C 2.444 180.001 177.584 -0.045 0.000 1.176 239 A CA 1.358 53.368 52.037 -0.046 0.000 0.628 239 A CB -0.523 18.432 19.000 -0.076 0.000 0.816 239 A HN 0.201 nan 8.150 nan 0.000 0.444 240 V N -0.202 119.674 119.914 -0.063 0.000 2.453 240 V HA -0.183 3.939 4.120 0.002 0.000 0.247 240 V C 3.022 179.163 176.094 0.078 0.000 1.048 240 V CA 1.647 63.940 62.300 -0.012 0.000 1.049 240 V CB -1.021 30.780 31.823 -0.037 0.000 0.672 240 V HN 0.603 nan 8.190 nan 0.000 0.457 241 A N 0.038 122.882 122.820 0.040 0.000 1.865 241 A HA -0.273 4.048 4.320 0.002 0.000 0.217 241 A C 2.264 179.875 177.584 0.046 0.000 1.191 241 A CA 2.146 54.208 52.037 0.041 0.000 0.623 241 A CB -0.478 18.532 19.000 0.017 0.000 0.826 241 A HN 0.527 nan 8.150 nan 0.000 0.444 242 K N -0.419 120.003 120.400 0.036 0.000 2.147 242 K HA -0.026 4.295 4.320 0.002 0.000 0.205 242 K C 2.047 178.686 176.600 0.064 0.000 1.049 242 K CA 1.009 57.318 56.287 0.038 0.000 0.936 242 K CB -0.260 32.254 32.500 0.022 0.000 0.722 242 K HN 0.464 nan 8.250 nan 0.000 0.446 243 A N 0.314 123.195 122.820 0.103 0.000 2.119 243 A HA 0.107 4.428 4.320 0.002 0.000 0.216 243 A C 1.524 179.203 177.584 0.158 0.000 1.152 243 A CA 1.041 53.183 52.037 0.175 0.000 0.708 243 A CB -0.370 18.827 19.000 0.328 0.000 0.805 243 A HN 0.406 nan 8.150 nan 0.000 0.460 244 G N -1.101 107.775 108.800 0.127 0.000 2.137 244 G HA2 -0.238 3.724 3.960 0.002 0.000 0.237 244 G HA3 -0.238 3.724 3.960 0.002 0.000 0.237 244 G C 0.040 174.985 174.900 0.076 0.000 1.002 244 G CA 0.649 45.798 45.100 0.082 0.000 0.702 244 G HN 0.611 nan 8.290 nan 0.000 0.515 245 K N 0.213 120.688 120.400 0.125 0.000 2.328 245 K HA 0.597 4.918 4.320 0.002 0.000 0.246 245 K C -2.473 174.210 176.600 0.138 0.000 0.955 245 K CA -2.221 54.108 56.287 0.069 0.000 0.817 245 K CB 2.080 34.515 32.500 -0.109 0.000 1.208 245 K HN -0.028 nan 8.250 nan 0.000 0.432 246 P HA 0.089 nan 4.420 nan 0.000 0.270 246 P C -1.373 176.047 177.300 0.201 0.000 1.223 246 P CA -0.484 62.707 63.100 0.151 0.000 0.785 246 P CB 0.449 32.236 31.700 0.145 0.000 0.923 247 L N 1.727 123.077 121.223 0.213 0.000 2.431 247 L HA 0.552 4.893 4.340 0.002 0.000 0.266 247 L C -1.696 175.293 176.870 0.198 0.000 0.978 247 L CA -0.955 54.018 54.840 0.222 0.000 0.822 247 L CB 1.856 44.028 42.059 0.189 0.000 1.310 247 L HN 0.119 nan 8.230 nan 0.000 0.409 248 L N 5.641 126.972 121.223 0.181 0.000 2.275 248 L HA 0.631 4.972 4.340 0.002 0.000 0.288 248 L C -1.048 175.904 176.870 0.137 0.000 1.046 248 L CA 0.114 55.053 54.840 0.165 0.000 0.805 248 L CB 1.049 43.202 42.059 0.156 0.000 1.193 248 L HN 0.562 nan 8.230 nan 0.000 0.426 249 I N 6.798 127.443 120.570 0.125 0.000 2.337 249 I HA 0.303 4.474 4.170 0.002 0.000 0.285 249 I C -0.133 176.039 176.117 0.092 0.000 1.041 249 I CA 0.074 61.430 61.300 0.092 0.000 1.199 249 I CB 0.754 38.799 38.000 0.076 0.000 1.370 249 I HN 0.428 nan 8.210 nan 0.000 0.470 250 I N 6.316 126.930 120.570 0.073 0.000 2.224 250 I HA 0.422 4.593 4.170 0.002 0.000 0.293 250 I C 0.872 177.002 176.117 0.022 0.000 1.155 250 I CA -0.259 61.070 61.300 0.048 0.000 1.297 250 I CB 0.019 38.028 38.000 0.014 0.000 1.487 250 I HN 0.618 nan 8.210 nan 0.000 0.564 251 A N 4.125 126.964 122.820 0.033 0.000 2.259 251 A HA 0.187 4.508 4.320 0.002 0.000 0.278 251 A C 1.441 179.034 177.584 0.015 0.000 1.107 251 A CA -0.296 51.753 52.037 0.021 0.000 0.828 251 A CB 0.553 19.571 19.000 0.029 0.000 1.111 251 A HN 0.742 nan 8.150 nan 0.000 0.498 252 E N -0.784 119.423 120.200 0.010 0.000 2.077 252 E HA -0.155 4.196 4.350 0.002 0.000 0.193 252 E C -0.161 176.457 176.600 0.029 0.000 0.989 252 E CA 1.576 57.984 56.400 0.014 0.000 0.800 252 E CB 0.156 29.863 29.700 0.012 0.000 0.746 252 E HN 0.652 nan 8.360 nan 0.000 0.452 253 D N -1.647 118.773 120.400 0.033 0.000 2.622 253 D HA 0.309 4.950 4.640 0.002 0.000 0.255 253 D C -1.807 174.518 176.300 0.042 0.000 1.246 253 D CA -0.537 53.488 54.000 0.041 0.000 0.795 253 D CB 2.391 43.214 40.800 0.038 0.000 1.369 253 D HN -0.084 nan 8.370 nan 0.000 0.425 254 V N 1.596 121.539 119.914 0.049 0.000 2.733 254 V HA 0.578 4.700 4.120 0.002 0.000 0.306 254 V C -0.148 175.974 176.094 0.047 0.000 1.084 254 V CA -0.627 61.702 62.300 0.048 0.000 0.905 254 V CB 1.823 33.681 31.823 0.058 0.000 1.010 254 V HN 0.729 nan 8.190 nan 0.000 0.424 255 E N 2.826 123.048 120.200 0.036 0.000 2.166 255 E HA 0.786 5.137 4.350 0.002 0.000 0.223 255 E C 0.465 177.078 176.600 0.022 0.000 1.174 255 E CA -0.322 56.097 56.400 0.031 0.000 0.901 255 E CB 0.945 30.662 29.700 0.028 0.000 1.893 255 E HN 1.383 nan 8.360 nan 0.000 0.487 256 G N 1.018 109.828 108.800 0.017 0.000 2.574 256 G HA2 -0.415 3.546 3.960 0.002 0.000 0.286 256 G HA3 -0.415 3.546 3.960 0.002 0.000 0.286 256 G C 0.657 175.562 174.900 0.007 0.000 1.212 256 G CA 1.105 46.212 45.100 0.011 0.000 0.979 256 G HN 0.866 nan 8.290 nan 0.000 0.557 257 E N 0.432 120.634 120.200 0.003 0.000 2.318 257 E HA 0.530 4.881 4.350 0.002 0.000 0.193 257 E C 2.584 179.183 176.600 -0.001 0.000 0.998 257 E CA 1.808 58.207 56.400 -0.002 0.000 0.859 257 E CB -0.519 29.178 29.700 -0.005 0.000 0.812 257 E HN 1.244 nan 8.360 nan 0.000 0.492 258 A N 1.458 124.280 122.820 0.004 0.000 1.883 258 A HA -0.138 4.183 4.320 0.002 0.000 0.217 258 A C 2.176 179.765 177.584 0.010 0.000 1.186 258 A CA 1.594 53.634 52.037 0.006 0.000 0.624 258 A CB -0.821 18.185 19.000 0.011 0.000 0.822 258 A HN 0.319 nan 8.150 nan 0.000 0.444 259 L N -0.232 121.001 121.223 0.018 0.000 1.989 259 L HA -0.102 4.239 4.340 0.002 0.000 0.211 259 L C 2.743 179.619 176.870 0.010 0.000 1.071 259 L CA 2.426 57.282 54.840 0.027 0.000 0.749 259 L CB -0.929 41.154 42.059 0.039 0.000 0.890 259 L HN 0.361 nan 8.230 nan 0.000 0.431 260 A N -1.194 121.626 122.820 -0.001 0.000 1.883 260 A HA -0.249 4.073 4.320 0.002 0.000 0.217 260 A C 2.349 179.913 177.584 -0.032 0.000 1.186 260 A CA 2.721 54.745 52.037 -0.020 0.000 0.624 260 A CB -1.451 17.536 19.000 -0.021 0.000 0.822 260 A HN 0.644 nan 8.150 nan 0.000 0.444 261 T N -1.559 112.980 114.554 -0.025 0.000 2.821 261 T HA -0.021 4.330 4.350 0.002 0.000 0.267 261 T C 1.839 176.517 174.700 -0.037 0.000 1.046 261 T CA 1.323 63.405 62.100 -0.031 0.000 1.139 261 T CB -0.546 68.309 68.868 -0.022 0.000 0.871 261 T HN 0.280 nan 8.240 nan 0.000 0.454 262 L N 0.652 121.858 121.223 -0.029 0.000 2.017 262 L HA -0.048 4.294 4.340 0.002 0.000 0.208 262 L C 2.985 179.811 176.870 -0.074 0.000 1.073 262 L CA 0.934 55.752 54.840 -0.037 0.000 0.745 262 L CB -0.706 41.349 42.059 -0.007 0.000 0.894 262 L HN 0.153 nan 8.230 nan 0.000 0.432 263 V N -0.661 119.217 119.914 -0.060 0.000 2.332 263 V HA -0.263 3.858 4.120 0.002 0.000 0.248 263 V C 2.413 178.437 176.094 -0.116 0.000 1.055 263 V CA 1.594 63.842 62.300 -0.088 0.000 1.038 263 V CB -0.242 31.553 31.823 -0.048 0.000 0.651 263 V HN 0.201 nan 8.190 nan 0.000 0.450 264 V N 0.297 120.155 119.914 -0.093 0.000 2.343 264 V HA -0.240 3.882 4.120 0.002 0.000 0.247 264 V C 2.262 178.301 176.094 -0.092 0.000 1.051 264 V CA 2.033 64.279 62.300 -0.090 0.000 1.036 264 V CB -0.811 30.971 31.823 -0.069 0.000 0.654 264 V HN 0.596 nan 8.190 nan 0.000 0.451 265 N N -0.168 118.478 118.700 -0.089 0.000 2.289 265 N HA -0.136 4.605 4.740 0.002 0.000 0.184 265 N C 1.801 177.234 175.510 -0.127 0.000 1.016 265 N CA 1.891 54.889 53.050 -0.087 0.000 0.872 265 N CB -0.011 38.435 38.487 -0.069 0.000 0.973 265 N HN 0.505 nan 8.380 nan 0.000 0.433 266 T N 1.323 115.758 114.554 -0.199 0.000 2.770 266 T HA -0.007 4.344 4.350 0.002 0.000 0.258 266 T C 1.963 176.535 174.700 -0.213 0.000 1.039 266 T CA 0.431 62.342 62.100 -0.314 0.000 1.143 266 T CB -0.029 68.460 68.868 -0.631 0.000 0.866 266 T HN 0.167 nan 8.240 nan 0.000 0.428 267 M N 0.860 120.361 119.600 -0.164 0.000 2.106 267 M HA -0.107 4.375 4.480 0.002 0.000 0.259 267 M C 2.111 178.369 176.300 -0.070 0.000 1.068 267 M CA 1.633 56.873 55.300 -0.100 0.000 1.100 267 M CB -0.014 32.525 32.600 -0.101 0.000 1.351 267 M HN -0.043 nan 8.290 nan 0.000 0.404 268 R N 0.349 120.806 120.500 -0.070 0.000 2.310 268 R HA 0.146 4.488 4.340 0.002 0.000 0.202 268 R C 0.665 176.940 176.300 -0.042 0.000 0.933 268 R CA 0.840 56.911 56.100 -0.049 0.000 1.054 268 R CB -0.795 29.477 30.300 -0.046 0.000 0.985 268 R HN 0.607 nan 8.270 nan 0.000 0.489 269 G N 0.605 109.373 108.800 -0.053 0.000 2.160 269 G HA2 -0.208 3.754 3.960 0.002 0.000 0.244 269 G HA3 -0.208 3.754 3.960 0.002 0.000 0.244 269 G C 0.510 175.390 174.900 -0.032 0.000 1.022 269 G CA 0.339 45.416 45.100 -0.038 0.000 0.741 269 G HN 0.238 nan 8.290 nan 0.000 0.508 270 I N -0.558 119.986 120.570 -0.043 0.000 2.296 270 I HA 0.176 4.347 4.170 0.002 0.000 0.242 270 I C 1.460 177.563 176.117 -0.024 0.000 1.087 270 I CA 2.017 63.298 61.300 -0.031 0.000 1.393 270 I CB -1.242 36.737 38.000 -0.034 0.000 1.093 270 I HN 0.705 nan 8.210 nan 0.000 0.421 271 V N -1.813 118.076 119.914 -0.042 0.000 2.924 271 V HA 0.412 4.534 4.120 0.002 0.000 0.300 271 V C -0.443 175.606 176.094 -0.075 0.000 1.227 271 V CA -1.342 60.943 62.300 -0.026 0.000 0.954 271 V CB 1.914 33.737 31.823 -0.001 0.000 1.055 271 V HN 0.073 nan 8.190 nan 0.000 0.429 272 K N 2.777 123.157 120.400 -0.034 0.000 2.228 272 K HA 0.499 4.820 4.320 0.002 0.000 0.284 272 K C -0.307 176.307 176.600 0.022 0.000 1.088 272 K CA -0.083 56.167 56.287 -0.062 0.000 0.941 272 K CB 0.948 33.559 32.500 0.185 0.000 1.158 272 K HN 0.905 nan 8.250 nan 0.000 0.438 273 V N 0.141 119.982 119.914 -0.122 0.000 2.409 273 V HA 0.689 4.811 4.120 0.002 0.000 0.291 273 V C -0.267 175.921 176.094 0.157 0.000 1.020 273 V CA -1.133 61.193 62.300 0.044 0.000 0.848 273 V CB 1.522 33.346 31.823 0.002 0.000 0.990 273 V HN 0.578 nan 8.190 nan 0.000 0.430 274 A N 4.115 127.139 122.820 0.340 0.000 2.260 274 A HA 0.916 5.237 4.320 0.002 0.000 0.314 274 A C 0.359 178.081 177.584 0.230 0.000 1.257 274 A CA -0.076 52.194 52.037 0.388 0.000 0.871 274 A CB 0.837 20.052 19.000 0.359 0.000 1.166 274 A HN 1.973 nan 8.150 nan 0.000 0.522 275 A N 2.394 125.338 122.820 0.207 0.000 2.274 275 A HA 0.661 4.983 4.320 0.002 0.000 0.309 275 A C 0.059 177.747 177.584 0.174 0.000 1.226 275 A CA -0.121 52.010 52.037 0.157 0.000 0.853 275 A CB 0.341 19.416 19.000 0.124 0.000 1.146 275 A HN 2.106 nan 8.150 nan 0.000 0.518 276 V N 0.245 120.247 119.914 0.147 0.000 2.876 276 V HA 0.617 4.739 4.120 0.002 0.000 0.312 276 V C -0.415 175.742 176.094 0.105 0.000 1.085 276 V CA -1.221 61.164 62.300 0.142 0.000 0.945 276 V CB 1.512 33.436 31.823 0.168 0.000 1.017 276 V HN 0.830 nan 8.190 nan 0.000 0.428 277 K N 2.317 122.774 120.400 0.095 0.000 2.295 277 K HA 0.652 4.973 4.320 0.002 0.000 0.270 277 K C 0.414 177.049 176.600 0.058 0.000 1.011 277 K CA 0.321 56.650 56.287 0.070 0.000 0.953 277 K CB 1.237 33.778 32.500 0.069 0.000 0.956 277 K HN 1.122 nan 8.250 nan 0.000 0.477 278 A N 4.422 127.255 122.820 0.021 0.000 2.425 278 A HA 0.240 4.562 4.320 0.002 0.000 0.249 278 A C -2.116 175.455 177.584 -0.021 0.000 1.084 278 A CA -1.211 50.805 52.037 -0.035 0.000 0.781 278 A CB -0.258 18.709 19.000 -0.055 0.000 1.019 278 A HN 0.451 nan 8.150 nan 0.000 0.490 279 P HA 0.409 nan 4.420 nan 0.000 0.275 279 P C 0.680 177.966 177.300 -0.023 0.000 1.227 279 P CA 1.423 64.523 63.100 0.000 0.000 0.781 279 P CB 0.809 32.506 31.700 -0.005 0.000 0.906 280 G N 2.173 110.999 108.800 0.044 0.000 2.693 280 G HA2 -0.040 3.922 3.960 0.002 0.000 0.226 280 G HA3 -0.040 3.922 3.960 0.002 0.000 0.226 280 G C -0.971 173.981 174.900 0.087 0.000 1.354 280 G CA -0.106 44.969 45.100 -0.041 0.000 0.873 280 G HN 0.691 nan 8.290 nan 0.000 0.562 281 F N -2.425 117.545 119.950 0.034 0.000 2.641 281 F HA 0.765 5.293 4.527 0.003 0.000 0.308 281 F C 0.757 176.580 175.800 0.038 0.000 1.105 281 F CA -0.042 57.976 58.000 0.030 0.000 0.964 281 F CB 1.092 40.110 39.000 0.030 0.000 1.294 281 F HN 2.483 nan 8.300 nan 0.000 0.442 282 G N 1.449 110.370 108.800 0.202 0.000 2.692 282 G HA2 -0.247 3.714 3.960 0.002 0.000 0.248 282 G HA3 -0.247 3.714 3.960 0.002 0.000 0.248 282 G C 0.099 175.009 174.900 0.017 0.000 1.340 282 G CA 0.174 45.336 45.100 0.103 0.000 0.896 282 G HN 0.956 nan 8.290 nan 0.000 0.570 283 D N 0.019 120.422 120.400 0.005 0.000 2.378 283 D HA -0.073 4.568 4.640 0.002 0.000 0.222 283 D C 2.254 178.517 176.300 -0.061 0.000 0.980 283 D CA 0.777 54.763 54.000 -0.023 0.000 0.907 283 D CB 0.013 40.805 40.800 -0.013 0.000 0.899 283 D HN 0.501 nan 8.370 nan 0.000 0.527 284 R N 1.519 121.962 120.500 -0.095 0.000 2.139 284 R HA -0.168 4.174 4.340 0.002 0.000 0.243 284 R C 2.230 178.439 176.300 -0.153 0.000 1.145 284 R CA 1.004 57.010 56.100 -0.156 0.000 0.976 284 R CB -0.026 30.127 30.300 -0.246 0.000 0.866 284 R HN 0.056 nan 8.270 nan 0.000 0.449 285 R N 0.767 121.190 120.500 -0.128 0.000 2.070 285 R HA -0.143 4.199 4.340 0.002 0.000 0.233 285 R C 1.958 178.199 176.300 -0.098 0.000 1.137 285 R CA 1.995 58.032 56.100 -0.105 0.000 0.945 285 R CB -0.074 30.195 30.300 -0.052 0.000 0.845 285 R HN 0.197 nan 8.270 nan 0.000 0.430 286 K N -0.056 120.301 120.400 -0.071 0.000 2.063 286 K HA -0.144 4.178 4.320 0.002 0.000 0.208 286 K C 2.136 178.691 176.600 -0.075 0.000 1.048 286 K CA 1.420 57.669 56.287 -0.063 0.000 0.928 286 K CB -0.204 32.270 32.500 -0.043 0.000 0.713 286 K HN 0.252 nan 8.250 nan 0.000 0.442 287 A N 1.642 124.413 122.820 -0.082 0.000 1.865 287 A HA -0.190 4.131 4.320 0.002 0.000 0.217 287 A C 2.190 179.716 177.584 -0.097 0.000 1.191 287 A CA 1.705 53.692 52.037 -0.083 0.000 0.623 287 A CB -0.510 18.436 19.000 -0.090 0.000 0.826 287 A HN 0.190 nan 8.150 nan 0.000 0.444 288 M N -1.446 118.079 119.600 -0.126 0.000 2.159 288 M HA -0.112 4.370 4.480 0.002 0.000 0.263 288 M C 2.202 178.388 176.300 -0.190 0.000 1.063 288 M CA 1.225 56.429 55.300 -0.159 0.000 1.110 288 M CB -0.421 32.058 32.600 -0.202 0.000 1.374 288 M HN 0.450 nan 8.290 nan 0.000 0.411 289 L N 0.589 121.708 121.223 -0.173 0.000 2.046 289 L HA -0.223 4.118 4.340 0.002 0.000 0.208 289 L C 2.458 179.270 176.870 -0.097 0.000 1.077 289 L CA 1.926 56.676 54.840 -0.150 0.000 0.747 289 L CB -0.601 41.390 42.059 -0.113 0.000 0.896 289 L HN 0.247 nan 8.230 nan 0.000 0.432 290 Q N -0.681 119.073 119.800 -0.076 0.000 2.230 290 Q HA -0.159 4.183 4.340 0.002 0.000 0.202 290 Q C 1.697 177.670 176.000 -0.044 0.000 0.963 290 Q CA 1.546 57.318 55.803 -0.051 0.000 0.866 290 Q CB -0.178 28.534 28.738 -0.044 0.000 0.931 290 Q HN 0.539 nan 8.270 nan 0.000 0.452 291 D N -0.128 120.238 120.400 -0.055 0.000 2.097 291 D HA -0.139 4.503 4.640 0.002 0.000 0.195 291 D C 1.787 178.074 176.300 -0.022 0.000 0.989 291 D CA 1.283 55.260 54.000 -0.037 0.000 0.827 291 D CB -0.166 40.609 40.800 -0.041 0.000 0.966 291 D HN 0.366 nan 8.370 nan 0.000 0.456 292 I N 1.361 121.906 120.570 -0.042 0.000 2.226 292 I HA -0.248 3.923 4.170 0.002 0.000 0.245 292 I C 2.532 178.652 176.117 0.006 0.000 1.100 292 I CA 1.000 62.294 61.300 -0.010 0.000 1.374 292 I CB -0.252 37.712 38.000 -0.060 0.000 1.057 292 I HN -0.084 nan 8.210 nan 0.000 0.413 293 A N 0.449 123.262 122.820 -0.011 0.000 1.865 293 A HA -0.229 4.092 4.320 0.002 0.000 0.217 293 A C 2.398 179.988 177.584 0.010 0.000 1.191 293 A CA 2.653 54.690 52.037 0.001 0.000 0.623 293 A CB -1.197 17.796 19.000 -0.010 0.000 0.826 293 A HN 0.390 nan 8.150 nan 0.000 0.444 294 T N -0.201 114.355 114.554 0.003 0.000 2.951 294 T HA -0.053 4.299 4.350 0.002 0.000 0.268 294 T C 1.755 176.464 174.700 0.014 0.000 1.073 294 T CA 1.248 63.352 62.100 0.006 0.000 1.134 294 T CB -0.237 68.631 68.868 -0.000 0.000 0.884 294 T HN 0.292 nan 8.240 nan 0.000 0.479 295 L N 1.927 123.161 121.223 0.019 0.000 2.093 295 L HA -0.023 4.318 4.340 0.002 0.000 0.208 295 L C 2.478 179.368 176.870 0.033 0.000 1.085 295 L CA 1.899 56.755 54.840 0.027 0.000 0.755 295 L CB -0.783 41.299 42.059 0.037 0.000 0.904 295 L HN 0.372 nan 8.230 nan 0.000 0.435 296 T N -4.780 109.797 114.554 0.039 0.000 3.014 296 T HA 0.366 4.717 4.350 0.002 0.000 0.250 296 T C 1.341 176.072 174.700 0.052 0.000 1.060 296 T CA 0.295 62.425 62.100 0.050 0.000 1.040 296 T CB 0.142 69.050 68.868 0.066 0.000 0.971 296 T HN 0.567 nan 8.240 nan 0.000 0.497 297 G N 0.547 109.372 108.800 0.042 0.000 2.140 297 G HA2 0.107 4.068 3.960 0.002 0.000 0.211 297 G HA3 0.107 4.068 3.960 0.002 0.000 0.211 297 G C 0.241 175.168 174.900 0.044 0.000 1.013 297 G CA -0.323 44.801 45.100 0.041 0.000 0.705 297 G HN 0.999 nan 8.290 nan 0.000 0.508 298 G N -1.160 107.663 108.800 0.038 0.000 2.509 298 G HA2 0.720 4.681 3.960 0.002 0.000 0.328 298 G HA3 0.720 4.681 3.960 0.002 0.000 0.328 298 G C -0.042 174.866 174.900 0.014 0.000 1.194 298 G CA 0.180 45.299 45.100 0.032 0.000 0.967 298 G HN 0.475 nan 8.290 nan 0.000 0.488 299 T N 0.001 114.559 114.554 0.006 0.000 2.910 299 T HA 0.365 4.716 4.350 0.002 0.000 0.293 299 T C 0.160 174.856 174.700 -0.006 0.000 1.015 299 T CA -0.123 61.975 62.100 -0.002 0.000 1.094 299 T CB 1.538 70.402 68.868 -0.007 0.000 0.968 299 T HN 0.237 nan 8.240 nan 0.000 0.521 300 V N 4.114 124.022 119.914 -0.011 0.000 2.348 300 V HA 0.257 4.379 4.120 0.002 0.000 0.270 300 V C 0.039 176.125 176.094 -0.014 0.000 1.037 300 V CA -0.630 61.660 62.300 -0.016 0.000 0.872 300 V CB 0.577 32.387 31.823 -0.022 0.000 1.002 300 V HN 0.691 nan 8.190 nan 0.000 0.464 301 I N 4.607 125.170 120.570 -0.013 0.000 2.311 301 I HA 0.121 4.293 4.170 0.002 0.000 0.297 301 I C 0.836 176.946 176.117 -0.011 0.000 1.131 301 I CA 0.961 62.254 61.300 -0.011 0.000 1.289 301 I CB 0.850 38.844 38.000 -0.011 0.000 1.446 301 I HN 0.541 nan 8.210 nan 0.000 0.524 302 S N 4.831 120.524 115.700 -0.011 0.000 2.423 302 S HA 0.171 4.643 4.470 0.002 0.000 0.317 302 S C 1.259 175.855 174.600 -0.007 0.000 1.065 302 S CA -0.595 57.599 58.200 -0.010 0.000 1.111 302 S CB 0.341 63.534 63.200 -0.012 0.000 0.968 302 S HN 0.727 nan 8.310 nan 0.000 0.474 303 E N 3.356 123.552 120.200 -0.006 0.000 2.204 303 E HA -0.162 4.189 4.350 0.002 0.000 0.195 303 E C 1.171 177.769 176.600 -0.003 0.000 0.990 303 E CA 1.207 57.605 56.400 -0.004 0.000 0.821 303 E CB 0.105 29.804 29.700 -0.002 0.000 0.750 303 E HN 0.817 nan 8.360 nan 0.000 0.477 304 E N 0.063 120.261 120.200 -0.003 0.000 2.338 304 E HA -0.119 4.232 4.350 0.002 0.000 0.197 304 E C 1.446 178.044 176.600 -0.004 0.000 1.007 304 E CA 0.869 57.267 56.400 -0.003 0.000 0.849 304 E CB -0.051 29.647 29.700 -0.003 0.000 0.774 304 E HN 0.533 nan 8.360 nan 0.000 0.506 305 I N -4.337 116.230 120.570 -0.005 0.000 3.762 305 I HA 0.473 4.645 4.170 0.002 0.000 0.333 305 I C 0.795 176.909 176.117 -0.005 0.000 1.566 305 I CA -0.153 61.144 61.300 -0.005 0.000 1.129 305 I CB 0.497 38.493 38.000 -0.006 0.000 1.218 305 I HN 0.013 nan 8.210 nan 0.000 0.456 306 G N 1.940 110.737 108.800 -0.005 0.000 2.143 306 G HA2 -0.270 3.692 3.960 0.002 0.000 0.249 306 G HA3 -0.270 3.692 3.960 0.002 0.000 0.249 306 G C 0.144 175.041 174.900 -0.005 0.000 0.981 306 G CA 0.046 45.143 45.100 -0.004 0.000 0.665 306 G HN 0.479 nan 8.290 nan 0.000 0.528 307 M N 1.498 121.094 119.600 -0.006 0.000 2.266 307 M HA 0.217 4.698 4.480 0.002 0.000 0.340 307 M C 0.437 176.732 176.300 -0.008 0.000 1.486 307 M CA 0.336 55.631 55.300 -0.008 0.000 1.209 307 M CB 0.245 32.839 32.600 -0.009 0.000 1.714 307 M HN 0.196 nan 8.290 nan 0.000 0.459 308 E N 2.549 122.745 120.200 -0.008 0.000 2.292 308 E HA -0.058 4.294 4.350 0.002 0.000 0.265 308 E C 0.711 177.305 176.600 -0.011 0.000 1.093 308 E CA -0.301 56.094 56.400 -0.008 0.000 0.922 308 E CB 0.782 30.476 29.700 -0.009 0.000 1.001 308 E HN 0.554 nan 8.360 nan 0.000 0.444 309 L N 4.293 125.510 121.223 -0.010 0.000 2.191 309 L HA -0.174 4.167 4.340 0.002 0.000 0.212 309 L C 1.436 178.297 176.870 -0.015 0.000 1.103 309 L CA 1.722 56.555 54.840 -0.012 0.000 0.769 309 L CB -0.131 41.923 42.059 -0.009 0.000 0.908 309 L HN 0.539 nan 8.230 nan 0.000 0.438 310 E N -0.033 120.160 120.200 -0.013 0.000 2.510 310 E HA -0.189 4.163 4.350 0.002 0.000 0.202 310 E C 1.020 177.611 176.600 -0.015 0.000 1.072 310 E CA 0.751 57.143 56.400 -0.013 0.000 0.883 310 E CB -0.075 29.619 29.700 -0.010 0.000 0.818 310 E HN 0.573 nan 8.360 nan 0.000 0.548 311 K N -1.071 119.319 120.400 -0.017 0.000 2.586 311 K HA 0.325 4.646 4.320 0.002 0.000 0.198 311 K C 0.120 176.706 176.600 -0.024 0.000 1.170 311 K CA -0.227 56.049 56.287 -0.019 0.000 1.069 311 K CB 0.613 33.103 32.500 -0.015 0.000 0.944 311 K HN -0.035 nan 8.250 nan 0.000 0.572 312 A N 1.708 124.511 122.820 -0.028 0.000 2.448 312 A HA 0.381 4.702 4.320 0.002 0.000 0.239 312 A C 0.425 177.980 177.584 -0.050 0.000 1.080 312 A CA 0.558 52.574 52.037 -0.036 0.000 0.779 312 A CB 0.195 19.174 19.000 -0.036 0.000 1.026 312 A HN 0.566 nan 8.150 nan 0.000 0.499 313 T N -1.520 112.997 114.554 -0.061 0.000 2.858 313 T HA 0.536 4.888 4.350 0.002 0.000 0.285 313 T C 0.894 175.520 174.700 -0.123 0.000 1.052 313 T CA -0.591 61.463 62.100 -0.076 0.000 1.009 313 T CB 0.467 69.304 68.868 -0.052 0.000 1.241 313 T HN 0.340 nan 8.240 nan 0.000 0.542 314 L N -0.117 121.018 121.223 -0.147 0.000 2.201 314 L HA 0.031 4.373 4.340 0.002 0.000 0.212 314 L C 2.741 179.539 176.870 -0.119 0.000 1.105 314 L CA 1.347 56.053 54.840 -0.224 0.000 0.775 314 L CB -0.541 41.406 42.059 -0.188 0.000 0.913 314 L HN 0.770 nan 8.230 nan 0.000 0.440 315 E N 0.432 120.598 120.200 -0.057 0.000 2.150 315 E HA -0.191 4.161 4.350 0.002 0.000 0.193 315 E C 1.624 178.217 176.600 -0.013 0.000 0.985 315 E CA 0.981 57.371 56.400 -0.015 0.000 0.814 315 E CB 0.062 29.756 29.700 -0.010 0.000 0.752 315 E HN 0.367 nan 8.360 nan 0.000 0.466 316 D N -0.214 120.165 120.400 -0.034 0.000 2.348 316 D HA -0.052 4.589 4.640 0.002 0.000 0.216 316 D C 0.159 176.449 176.300 -0.017 0.000 0.970 316 D CA 0.321 54.307 54.000 -0.024 0.000 0.889 316 D CB 0.175 40.955 40.800 -0.034 0.000 0.912 316 D HN 0.250 nan 8.370 nan 0.000 0.524 317 L N 0.914 122.118 121.223 -0.032 0.000 2.397 317 L HA 0.275 4.616 4.340 0.002 0.000 0.271 317 L C 1.313 178.247 176.870 0.106 0.000 1.148 317 L CA -0.518 54.330 54.840 0.014 0.000 0.825 317 L CB 1.101 43.098 42.059 -0.104 0.000 1.117 317 L HN -0.141 nan 8.230 nan 0.000 0.456 318 G N 1.901 110.776 108.800 0.125 0.000 2.528 318 G HA2 0.542 4.503 3.960 0.002 0.000 0.289 318 G HA3 0.542 4.503 3.960 0.002 0.000 0.289 318 G C -0.858 174.158 174.900 0.193 0.000 1.192 318 G CA -0.337 44.842 45.100 0.132 0.000 0.921 318 G HN 0.621 nan 8.290 nan 0.000 0.512 319 Q N -1.484 118.391 119.800 0.124 0.000 2.501 319 Q HA 0.653 4.995 4.340 0.002 0.000 0.288 319 Q C -0.849 175.170 176.000 0.033 0.000 1.051 319 Q CA -0.898 54.945 55.803 0.067 0.000 0.788 319 Q CB 2.643 31.389 28.738 0.013 0.000 1.469 319 Q HN 0.842 nan 8.270 nan 0.000 0.416 320 A N 0.379 123.200 122.820 0.000 0.000 2.609 320 A HA 0.410 4.731 4.320 0.002 0.000 0.291 320 A C -0.289 177.282 177.584 -0.022 0.000 1.096 320 A CA -0.552 51.486 52.037 0.001 0.000 0.684 320 A CB 1.620 20.633 19.000 0.021 0.000 1.282 320 A HN 0.749 nan 8.150 nan 0.000 0.412 321 K N -0.476 119.914 120.400 -0.016 0.000 2.057 321 K HA 0.025 4.346 4.320 0.002 0.000 0.206 321 K C 0.728 177.314 176.600 -0.024 0.000 1.050 321 K CA 1.565 57.839 56.287 -0.022 0.000 0.935 321 K CB 0.043 32.534 32.500 -0.015 0.000 0.715 321 K HN 0.589 nan 8.250 nan 0.000 0.439 322 R N -0.631 119.858 120.500 -0.018 0.000 2.634 322 R HA 0.291 4.633 4.340 0.002 0.000 0.263 322 R C -2.070 174.220 176.300 -0.016 0.000 1.060 322 R CA -0.702 55.387 56.100 -0.019 0.000 0.898 322 R CB 1.992 32.279 30.300 -0.023 0.000 1.253 322 R HN -0.066 nan 8.270 nan 0.000 0.461 323 V N 3.120 123.024 119.914 -0.016 0.000 2.789 323 V HA 0.632 4.754 4.120 0.002 0.000 0.311 323 V C -0.878 175.190 176.094 -0.043 0.000 1.073 323 V CA -0.733 61.554 62.300 -0.021 0.000 0.921 323 V CB 2.159 33.989 31.823 0.011 0.000 1.009 323 V HN 0.499 nan 8.190 nan 0.000 0.426 324 V N 5.300 125.176 119.914 -0.062 0.000 2.638 324 V HA 0.616 4.737 4.120 0.002 0.000 0.306 324 V C -0.659 175.384 176.094 -0.084 0.000 1.052 324 V CA -0.386 61.869 62.300 -0.074 0.000 0.885 324 V CB 2.033 33.815 31.823 -0.068 0.000 0.999 324 V HN 0.714 nan 8.190 nan 0.000 0.424 325 I N 4.105 124.634 120.570 -0.068 0.000 2.647 325 I HA 0.523 4.694 4.170 0.002 0.000 0.295 325 I C -0.427 175.701 176.117 0.018 0.000 1.078 325 I CA -0.480 60.798 61.300 -0.036 0.000 1.048 325 I CB 2.502 40.508 38.000 0.010 0.000 1.239 325 I HN 0.911 nan 8.210 nan 0.000 0.421 326 N N 3.887 122.557 118.700 -0.050 0.000 3.100 326 N HA 0.385 5.126 4.740 0.002 0.000 0.344 326 N C 0.408 175.504 175.510 -0.689 0.000 1.413 326 N CA -0.925 52.050 53.050 -0.124 0.000 0.752 326 N CB 0.756 39.179 38.487 -0.108 0.000 1.519 326 N HN 0.427 nan 8.380 nan 0.000 0.620 327 K N -1.378 118.376 120.400 -1.077 0.000 2.057 327 K HA -0.054 4.267 4.320 0.002 0.000 0.206 327 K C -0.145 176.151 176.600 -0.507 0.000 1.050 327 K CA 1.605 57.136 56.287 -1.260 0.000 0.935 327 K CB -0.083 31.984 32.500 -0.721 0.000 0.715 327 K HN 0.530 nan 8.250 nan 0.000 0.439 328 D N -0.376 119.846 120.400 -0.297 0.000 2.474 328 D HA 0.038 4.680 4.640 0.002 0.000 0.213 328 D C -0.202 176.045 176.300 -0.088 0.000 1.120 328 D CA 0.361 54.277 54.000 -0.139 0.000 0.836 328 D CB 1.262 42.003 40.800 -0.098 0.000 1.019 328 D HN 0.296 nan 8.370 nan 0.000 0.507 329 T N -2.127 112.351 114.554 -0.128 0.000 2.868 329 T HA 0.623 4.974 4.350 0.002 0.000 0.306 329 T C -0.479 174.102 174.700 -0.198 0.000 1.224 329 T CA -0.607 61.411 62.100 -0.137 0.000 1.012 329 T CB 2.575 71.365 68.868 -0.129 0.000 1.221 329 T HN -0.292 nan 8.240 nan 0.000 0.499 330 T N 1.706 116.044 114.554 -0.361 0.000 2.886 330 T HA 0.688 5.039 4.350 0.002 0.000 0.292 330 T C -0.796 173.579 174.700 -0.542 0.000 1.012 330 T CA -0.605 61.234 62.100 -0.434 0.000 0.982 330 T CB 1.851 70.413 68.868 -0.510 0.000 1.018 330 T HN 0.819 nan 8.240 nan 0.000 0.451 331 T N 3.248 117.612 114.554 -0.317 0.000 2.792 331 T HA 0.617 4.968 4.350 0.002 0.000 0.280 331 T C -0.299 174.309 174.700 -0.154 0.000 0.990 331 T CA -0.501 61.457 62.100 -0.237 0.000 0.960 331 T CB 0.575 69.354 68.868 -0.149 0.000 0.939 331 T HN 0.411 nan 8.240 nan 0.000 0.439 332 I N 3.637 124.141 120.570 -0.109 0.000 2.378 332 I HA 0.473 4.644 4.170 0.002 0.000 0.291 332 I C -0.420 175.687 176.117 -0.017 0.000 0.992 332 I CA -0.883 60.402 61.300 -0.027 0.000 1.154 332 I CB 1.643 39.670 38.000 0.045 0.000 1.315 332 I HN 0.455 nan 8.210 nan 0.000 0.448 333 I N 5.210 125.772 120.570 -0.013 0.000 2.339 333 I HA 0.187 4.359 4.170 0.002 0.000 0.290 333 I C -0.426 175.690 176.117 -0.001 0.000 0.994 333 I CA -0.324 60.969 61.300 -0.011 0.000 1.191 333 I CB 1.142 39.131 38.000 -0.018 0.000 1.343 333 I HN 0.659 nan 8.210 nan 0.000 0.458 334 D N 5.158 125.560 120.400 0.004 0.000 3.617 334 D HA -0.129 4.512 4.640 0.002 0.000 0.226 334 D C 0.166 176.472 176.300 0.011 0.000 1.125 334 D CA 0.886 54.890 54.000 0.006 0.000 1.083 334 D CB -0.021 40.779 40.800 -0.001 0.000 0.833 334 D HN 0.777 nan 8.370 nan 0.000 0.399 335 G N 1.689 110.502 108.800 0.022 0.000 2.467 335 G HA2 0.371 4.332 3.960 0.002 0.000 0.257 335 G HA3 0.371 4.332 3.960 0.002 0.000 0.257 335 G C 1.302 176.215 174.900 0.023 0.000 1.227 335 G CA -0.439 44.678 45.100 0.029 0.000 0.835 335 G HN 0.471 nan 8.290 nan 0.000 0.556 336 V N 2.421 122.350 119.914 0.025 0.000 3.305 336 V HA 0.026 4.147 4.120 0.002 0.000 0.269 336 V C 2.119 178.227 176.094 0.023 0.000 1.157 336 V CA 1.028 63.341 62.300 0.021 0.000 1.157 336 V CB -0.976 30.861 31.823 0.023 0.000 0.772 336 V HN 0.809 nan 8.190 nan 0.000 0.498 337 G N 0.503 109.318 108.800 0.025 0.000 2.630 337 G HA2 0.177 4.139 3.960 0.002 0.000 0.236 337 G HA3 0.177 4.139 3.960 0.002 0.000 0.236 337 G C -0.243 174.666 174.900 0.016 0.000 1.248 337 G CA -0.362 44.751 45.100 0.021 0.000 0.844 337 G HN 0.503 nan 8.290 nan 0.000 0.588 338 E N 0.121 120.329 120.200 0.013 0.000 2.392 338 E HA 0.150 4.501 4.350 0.002 0.000 0.264 338 E C 1.103 177.708 176.600 0.008 0.000 1.024 338 E CA -0.084 56.322 56.400 0.010 0.000 0.903 338 E CB 1.190 30.895 29.700 0.009 0.000 0.963 338 E HN 0.666 nan 8.360 nan 0.000 0.432 339 E N 2.881 123.085 120.200 0.007 0.000 2.049 339 E HA -0.290 4.061 4.350 0.002 0.000 0.198 339 E C 1.716 178.319 176.600 0.004 0.000 1.007 339 E CA 2.071 58.474 56.400 0.005 0.000 0.809 339 E CB -0.240 29.462 29.700 0.004 0.000 0.749 339 E HN 0.609 nan 8.360 nan 0.000 0.450 340 A N 0.286 123.108 122.820 0.004 0.000 2.019 340 A HA 0.014 4.336 4.320 0.002 0.000 0.219 340 A C 2.348 179.934 177.584 0.003 0.000 1.164 340 A CA 1.871 53.909 52.037 0.003 0.000 0.644 340 A CB -0.762 18.239 19.000 0.003 0.000 0.805 340 A HN 0.404 nan 8.150 nan 0.000 0.449 341 A N -0.201 122.621 122.820 0.004 0.000 1.930 341 A HA 0.074 4.396 4.320 0.002 0.000 0.215 341 A C 2.068 179.654 177.584 0.003 0.000 1.176 341 A CA 1.219 53.258 52.037 0.004 0.000 0.632 341 A CB -0.450 18.554 19.000 0.006 0.000 0.819 341 A HN 0.459 nan 8.150 nan 0.000 0.445 342 I N -0.483 120.090 120.570 0.005 0.000 2.163 342 I HA -0.285 3.887 4.170 0.002 0.000 0.240 342 I C 2.757 178.875 176.117 0.002 0.000 1.081 342 I CA 1.394 62.697 61.300 0.005 0.000 1.353 342 I CB -0.398 37.606 38.000 0.008 0.000 1.054 342 I HN 0.393 nan 8.210 nan 0.000 0.407 343 Q N 0.433 120.235 119.800 0.002 0.000 2.167 343 Q HA -0.128 4.214 4.340 0.002 0.000 0.202 343 Q C 2.333 178.332 176.000 -0.001 0.000 0.970 343 Q CA 1.459 57.263 55.803 0.000 0.000 0.855 343 Q CB -0.361 28.378 28.738 0.001 0.000 0.911 343 Q HN 0.653 nan 8.270 nan 0.000 0.438 344 G N 0.968 109.768 108.800 -0.001 0.000 2.422 344 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 344 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 344 G C 1.552 176.449 174.900 -0.005 0.000 1.140 344 G CA 0.193 45.291 45.100 -0.003 0.000 0.775 344 G HN 0.069 nan 8.290 nan 0.000 0.545 345 R N 0.384 120.882 120.500 -0.004 0.000 2.073 345 R HA -0.019 4.322 4.340 0.002 0.000 0.234 345 R C 2.766 179.061 176.300 -0.009 0.000 1.134 345 R CA 1.138 57.234 56.100 -0.007 0.000 0.952 345 R CB -1.033 29.264 30.300 -0.005 0.000 0.850 345 R HN 0.286 nan 8.270 nan 0.000 0.433 346 V N 1.244 121.154 119.914 -0.006 0.000 2.332 346 V HA -0.268 3.853 4.120 0.002 0.000 0.248 346 V C 2.568 178.657 176.094 -0.008 0.000 1.055 346 V CA 1.974 64.270 62.300 -0.007 0.000 1.038 346 V CB -0.951 30.869 31.823 -0.003 0.000 0.651 346 V HN 0.414 nan 8.190 nan 0.000 0.450 347 A N -0.930 121.886 122.820 -0.007 0.000 1.908 347 A HA -0.324 3.997 4.320 0.002 0.000 0.218 347 A C 2.269 179.847 177.584 -0.010 0.000 1.181 347 A CA 2.185 54.218 52.037 -0.007 0.000 0.627 347 A CB -0.581 18.416 19.000 -0.005 0.000 0.818 347 A HN 0.607 nan 8.150 nan 0.000 0.445 348 Q N -0.447 119.346 119.800 -0.011 0.000 2.084 348 Q HA -0.159 4.183 4.340 0.002 0.000 0.202 348 Q C 1.959 177.948 176.000 -0.019 0.000 0.978 348 Q CA 1.774 57.568 55.803 -0.014 0.000 0.844 348 Q CB -0.240 28.489 28.738 -0.015 0.000 0.898 348 Q HN 0.735 nan 8.270 nan 0.000 0.426 349 I N -0.079 120.479 120.570 -0.020 0.000 2.252 349 I HA -0.249 3.922 4.170 0.002 0.000 0.245 349 I C 2.678 178.781 176.117 -0.023 0.000 1.102 349 I CA 1.024 62.309 61.300 -0.026 0.000 1.385 349 I CB -0.274 37.709 38.000 -0.027 0.000 1.064 349 I HN 0.154 nan 8.210 nan 0.000 0.414 350 R N 0.580 121.071 120.500 -0.016 0.000 2.115 350 R HA -0.194 4.147 4.340 0.002 0.000 0.230 350 R C 2.416 178.709 176.300 -0.012 0.000 1.111 350 R CA 1.107 57.199 56.100 -0.013 0.000 0.976 350 R CB -0.151 30.144 30.300 -0.009 0.000 0.870 350 R HN 0.338 nan 8.270 nan 0.000 0.445 351 Q N 0.909 120.702 119.800 -0.012 0.000 2.050 351 Q HA -0.226 4.116 4.340 0.002 0.000 0.202 351 Q C 1.707 177.698 176.000 -0.014 0.000 0.980 351 Q CA 1.860 57.657 55.803 -0.011 0.000 0.840 351 Q CB -0.031 28.700 28.738 -0.011 0.000 0.898 351 Q HN 0.508 nan 8.270 nan 0.000 0.424 352 Q N -0.056 119.732 119.800 -0.019 0.000 2.170 352 Q HA -0.052 4.289 4.340 0.002 0.000 0.203 352 Q C 2.171 178.157 176.000 -0.023 0.000 0.976 352 Q CA 1.184 56.973 55.803 -0.023 0.000 0.858 352 Q CB -0.059 28.659 28.738 -0.032 0.000 0.907 352 Q HN 0.423 nan 8.270 nan 0.000 0.433 353 I N 1.079 121.636 120.570 -0.022 0.000 2.700 353 I HA -0.205 3.967 4.170 0.002 0.000 0.261 353 I C 1.628 177.739 176.117 -0.011 0.000 1.219 353 I CA 0.721 62.010 61.300 -0.018 0.000 1.463 353 I CB -0.110 37.880 38.000 -0.016 0.000 1.092 353 I HN 0.167 nan 8.210 nan 0.000 0.452 354 E N 1.255 121.449 120.200 -0.009 0.000 2.482 354 E HA -0.126 4.226 4.350 0.002 0.000 0.196 354 E C 0.856 177.453 176.600 -0.005 0.000 1.047 354 E CA 0.620 57.017 56.400 -0.005 0.000 0.869 354 E CB 0.053 29.750 29.700 -0.004 0.000 0.836 354 E HN 0.722 nan 8.360 nan 0.000 0.520 355 E N -0.926 119.270 120.200 -0.008 0.000 2.945 355 E HA 0.311 4.662 4.350 0.002 0.000 0.196 355 E C -0.085 176.510 176.600 -0.010 0.000 0.965 355 E CA -0.179 56.216 56.400 -0.007 0.000 1.270 355 E CB 0.461 30.157 29.700 -0.006 0.000 1.045 355 E HN -0.017 nan 8.360 nan 0.000 0.474 356 A N 1.915 124.727 122.820 -0.013 0.000 3.026 356 A HA 0.136 4.458 4.320 0.002 0.000 0.272 356 A C 1.169 178.747 177.584 -0.010 0.000 1.782 356 A CA -0.001 52.025 52.037 -0.019 0.000 1.451 356 A CB -0.959 18.025 19.000 -0.028 0.000 1.081 356 A HN 0.324 nan 8.150 nan 0.000 0.611 357 T N -0.921 113.631 114.554 -0.003 0.000 3.658 357 T HA 0.290 4.642 4.350 0.002 0.000 0.250 357 T C 0.522 175.228 174.700 0.009 0.000 1.060 357 T CA 0.395 62.497 62.100 0.003 0.000 0.962 357 T CB -1.185 67.686 68.868 0.004 0.000 1.075 357 T HN 1.046 nan 8.240 nan 0.000 0.610 358 S N -1.356 114.350 115.700 0.011 0.000 2.656 358 S HA 0.419 4.891 4.470 0.002 0.000 0.273 358 S C -0.253 174.363 174.600 0.026 0.000 1.168 358 S CA -0.819 57.397 58.200 0.026 0.000 0.817 358 S CB 1.414 64.645 63.200 0.051 0.000 1.146 358 S HN -0.024 nan 8.310 nan 0.000 0.475 359 D N 0.267 120.692 120.400 0.042 0.000 2.103 359 D HA -0.030 4.612 4.640 0.002 0.000 0.199 359 D C 1.396 177.752 176.300 0.093 0.000 0.978 359 D CA 1.521 55.546 54.000 0.043 0.000 0.829 359 D CB -0.394 40.425 40.800 0.030 0.000 0.981 359 D HN 0.605 nan 8.370 nan 0.000 0.464 360 Y N 2.099 122.391 120.300 -0.013 0.000 2.421 360 Y HA -0.116 4.435 4.550 0.003 0.000 0.292 360 Y C 1.675 177.567 175.900 -0.012 0.000 1.136 360 Y CA 0.956 59.052 58.100 -0.007 0.000 1.255 360 Y CB -0.011 38.451 38.460 0.005 0.000 0.991 360 Y HN -0.108 nan 8.280 nan 0.000 0.552 361 D N -0.244 120.109 120.400 -0.078 0.000 2.084 361 D HA -0.152 4.489 4.640 0.002 0.000 0.196 361 D C 2.073 178.301 176.300 -0.120 0.000 0.985 361 D CA 1.238 55.157 54.000 -0.136 0.000 0.826 361 D CB -0.117 40.649 40.800 -0.057 0.000 0.978 361 D HN 0.317 nan 8.370 nan 0.000 0.456 362 R N 0.813 121.278 120.500 -0.059 0.000 2.241 362 R HA -0.075 4.267 4.340 0.002 0.000 0.224 362 R C 2.102 178.374 176.300 -0.047 0.000 1.101 362 R CA 0.725 56.799 56.100 -0.043 0.000 0.995 362 R CB 0.110 30.399 30.300 -0.019 0.000 0.870 362 R HN 0.342 nan 8.270 nan 0.000 0.463 363 E N 0.686 120.848 120.200 -0.063 0.000 2.004 363 E HA -0.179 4.173 4.350 0.002 0.000 0.192 363 E C 1.699 178.211 176.600 -0.147 0.000 0.987 363 E CA 1.260 57.620 56.400 -0.066 0.000 0.822 363 E CB -0.037 29.665 29.700 0.002 0.000 0.779 363 E HN 0.297 nan 8.360 nan 0.000 0.458 364 K N 0.967 121.177 120.400 -0.316 0.000 2.442 364 K HA -0.072 4.250 4.320 0.002 0.000 0.198 364 K C 1.830 178.307 176.600 -0.206 0.000 1.042 364 K CA 0.781 56.868 56.287 -0.333 0.000 0.958 364 K CB 0.141 32.277 32.500 -0.607 0.000 0.766 364 K HN 0.065 nan 8.250 nan 0.000 0.474 365 L N 2.002 123.130 121.223 -0.158 0.000 2.127 365 L HA -0.081 4.261 4.340 0.002 0.000 0.203 365 L C 2.862 179.692 176.870 -0.067 0.000 1.080 365 L CA 1.751 56.531 54.840 -0.100 0.000 0.768 365 L CB -1.195 40.815 42.059 -0.081 0.000 0.924 365 L HN 0.501 nan 8.230 nan 0.000 0.444 366 Q N 0.027 119.794 119.800 -0.056 0.000 2.167 366 Q HA -0.191 4.150 4.340 0.002 0.000 0.202 366 Q C 1.573 177.559 176.000 -0.024 0.000 0.970 366 Q CA 1.290 57.076 55.803 -0.029 0.000 0.855 366 Q CB -0.292 28.439 28.738 -0.012 0.000 0.911 366 Q HN 0.437 nan 8.270 nan 0.000 0.438 367 E N 0.771 120.949 120.200 -0.036 0.000 2.136 367 E HA -0.240 4.111 4.350 0.002 0.000 0.202 367 E C 2.050 178.640 176.600 -0.017 0.000 1.019 367 E CA 1.773 58.158 56.400 -0.025 0.000 0.819 367 E CB -0.025 29.645 29.700 -0.049 0.000 0.739 367 E HN 0.471 nan 8.360 nan 0.000 0.458 368 R N -0.089 120.392 120.500 -0.032 0.000 2.210 368 R HA -0.022 4.319 4.340 0.002 0.000 0.203 368 R C 2.515 178.807 176.300 -0.013 0.000 1.010 368 R CA 0.778 56.863 56.100 -0.024 0.000 1.008 368 R CB 0.113 30.386 30.300 -0.045 0.000 0.923 368 R HN 0.161 nan 8.270 nan 0.000 0.469 369 V N -2.130 117.776 119.914 -0.013 0.000 2.649 369 V HA 0.131 4.253 4.120 0.002 0.000 0.248 369 V C 2.201 178.295 176.094 0.001 0.000 1.054 369 V CA 1.317 63.614 62.300 -0.006 0.000 1.073 369 V CB -0.332 31.487 31.823 -0.007 0.000 0.699 369 V HN 0.154 nan 8.190 nan 0.000 0.463 370 A N 1.067 123.889 122.820 0.003 0.000 1.917 370 A HA -0.238 4.084 4.320 0.002 0.000 0.219 370 A C 2.260 179.852 177.584 0.013 0.000 1.182 370 A CA 2.419 54.461 52.037 0.008 0.000 0.633 370 A CB -0.679 18.326 19.000 0.010 0.000 0.819 370 A HN 0.633 nan 8.150 nan 0.000 0.448 371 K N -1.153 119.260 120.400 0.021 0.000 2.439 371 K HA 0.168 4.489 4.320 0.002 0.000 0.197 371 K C 1.107 177.725 176.600 0.029 0.000 1.041 371 K CA 0.786 57.094 56.287 0.036 0.000 0.970 371 K CB -0.058 32.478 32.500 0.060 0.000 0.773 371 K HN 0.520 nan 8.250 nan 0.000 0.479 372 L N -2.002 119.232 121.223 0.017 0.000 2.746 372 L HA 0.216 4.558 4.340 0.002 0.000 0.230 372 L C 1.566 178.441 176.870 0.008 0.000 1.034 372 L CA 0.130 54.978 54.840 0.014 0.000 0.922 372 L CB -0.033 42.031 42.059 0.010 0.000 1.496 372 L HN 0.007 nan 8.230 nan 0.000 0.498 373 A N 0.460 123.283 122.820 0.005 0.000 3.519 373 A HA 0.343 4.664 4.320 0.002 0.000 0.188 373 A C 1.777 179.362 177.584 0.003 0.000 1.894 373 A CA 0.808 52.847 52.037 0.003 0.000 0.929 373 A CB -1.393 17.608 19.000 0.001 0.000 1.222 373 A HN 0.214 nan 8.150 nan 0.000 0.426 374 G N -1.531 107.270 108.800 0.002 0.000 2.744 374 G HA2 0.461 4.423 3.960 0.002 0.000 0.211 374 G HA3 0.461 4.423 3.960 0.002 0.000 0.211 374 G C 0.865 175.765 174.900 0.000 0.000 1.143 374 G CA 0.971 46.071 45.100 0.001 0.000 0.788 374 G HN 2.013 nan 8.290 nan 0.000 0.534 375 G N -1.780 107.021 108.800 0.002 0.000 2.541 375 G HA2 0.096 4.058 3.960 0.002 0.000 0.686 375 G HA3 0.096 4.058 3.960 0.002 0.000 0.686 375 G C -0.842 174.059 174.900 0.002 0.000 1.286 375 G CA -0.526 44.574 45.100 0.001 0.000 0.894 375 G HN 0.727 nan 8.290 nan 0.000 0.575 376 V N 0.479 120.393 119.914 0.000 0.000 2.427 376 V HA 0.825 4.946 4.120 0.002 0.000 0.286 376 V C 0.867 176.959 176.094 -0.003 0.000 1.034 376 V CA 0.387 62.687 62.300 0.001 0.000 0.893 376 V CB 0.836 32.659 31.823 -0.000 0.000 0.982 376 V HN 2.189 nan 8.190 nan 0.000 0.452 377 A N 4.184 127.003 122.820 -0.002 0.000 2.539 377 A HA 0.962 5.284 4.320 0.002 0.000 0.296 377 A C -1.307 176.275 177.584 -0.002 0.000 1.073 377 A CA -0.610 51.424 52.037 -0.005 0.000 0.700 377 A CB 2.278 21.274 19.000 -0.006 0.000 1.296 377 A HN 0.755 nan 8.150 nan 0.000 0.405 378 V N 1.479 121.390 119.914 -0.005 0.000 2.777 378 V HA 0.424 4.545 4.120 0.002 0.000 0.306 378 V C -0.864 175.226 176.094 -0.007 0.000 1.112 378 V CA -0.178 62.120 62.300 -0.003 0.000 0.917 378 V CB 1.785 33.608 31.823 -0.001 0.000 1.018 378 V HN 0.751 nan 8.190 nan 0.000 0.426 379 I N 3.714 124.279 120.570 -0.009 0.000 2.328 379 I HA 0.383 4.554 4.170 0.002 0.000 0.287 379 I C 0.214 176.327 176.117 -0.007 0.000 1.012 379 I CA -0.533 60.760 61.300 -0.012 0.000 1.195 379 I CB 1.271 39.259 38.000 -0.019 0.000 1.350 379 I HN 0.532 nan 8.210 nan 0.000 0.464 380 K N 5.619 126.015 120.400 -0.007 0.000 2.349 380 K HA 0.264 4.585 4.320 0.002 0.000 0.289 380 K C -0.502 176.095 176.600 -0.005 0.000 1.064 380 K CA -0.466 55.818 56.287 -0.005 0.000 0.947 380 K CB 1.134 33.631 32.500 -0.005 0.000 1.007 380 K HN 0.345 nan 8.250 nan 0.000 0.478 381 V N 3.361 123.273 119.914 -0.003 0.000 2.425 381 V HA 0.027 4.148 4.120 0.002 0.000 0.276 381 V C 0.925 177.017 176.094 -0.003 0.000 1.017 381 V CA -0.098 62.200 62.300 -0.004 0.000 1.062 381 V CB 0.378 32.201 31.823 0.000 0.000 0.997 381 V HN 0.872 nan 8.190 nan 0.000 0.476 382 G N 4.034 112.831 108.800 -0.005 0.000 2.325 382 G HA2 0.686 4.648 3.960 0.002 0.000 0.298 382 G HA3 0.686 4.648 3.960 0.002 0.000 0.298 382 G C -0.280 174.617 174.900 -0.004 0.000 1.134 382 G CA 0.309 45.406 45.100 -0.005 0.000 0.876 382 G HN 1.199 nan 8.290 nan 0.000 0.452 383 A N 1.131 123.950 122.820 -0.003 0.000 2.608 383 A HA 0.813 5.134 4.320 0.002 0.000 0.292 383 A C 0.473 178.056 177.584 -0.002 0.000 1.066 383 A CA 0.237 52.272 52.037 -0.002 0.000 0.676 383 A CB 0.908 19.908 19.000 -0.001 0.000 1.277 383 A HN 1.596 nan 8.150 nan 0.000 0.413 384 A N 0.171 122.990 122.820 -0.002 0.000 1.887 384 A HA 0.448 4.769 4.320 0.002 0.000 0.210 384 A C 1.436 179.019 177.584 -0.001 0.000 1.221 384 A CA 1.964 54.000 52.037 -0.002 0.000 0.635 384 A CB -0.861 18.137 19.000 -0.003 0.000 0.881 384 A HN 1.869 nan 8.150 nan 0.000 0.456 385 T N -2.926 111.628 114.554 -0.001 0.000 2.847 385 T HA 0.421 4.773 4.350 0.002 0.000 0.279 385 T C 0.567 175.268 174.700 0.001 0.000 0.984 385 T CA 0.219 62.319 62.100 -0.000 0.000 0.988 385 T CB 1.747 70.615 68.868 -0.001 0.000 1.040 385 T HN 0.329 nan 8.240 nan 0.000 0.528 386 E N -0.402 119.800 120.200 0.002 0.000 2.216 386 E HA -0.015 4.336 4.350 0.002 0.000 0.192 386 E C 2.172 178.775 176.600 0.006 0.000 0.973 386 E CA 0.588 56.991 56.400 0.005 0.000 0.851 386 E CB -0.011 29.693 29.700 0.006 0.000 0.804 386 E HN 0.624 nan 8.360 nan 0.000 0.477 387 V N -0.423 119.493 119.914 0.004 0.000 2.469 387 V HA -0.254 3.868 4.120 0.002 0.000 0.251 387 V C 2.037 178.133 176.094 0.003 0.000 1.064 387 V CA 2.274 64.576 62.300 0.003 0.000 1.066 387 V CB -0.579 31.244 31.823 0.000 0.000 0.667 387 V HN 0.221 nan 8.190 nan 0.000 0.461 388 E N -0.247 119.954 120.200 0.002 0.000 2.076 388 E HA -0.187 4.164 4.350 0.002 0.000 0.190 388 E C 2.114 178.715 176.600 0.002 0.000 0.979 388 E CA 1.241 57.641 56.400 0.001 0.000 0.807 388 E CB -0.164 29.535 29.700 -0.001 0.000 0.761 388 E HN 0.561 nan 8.360 nan 0.000 0.454 389 M N 1.190 120.793 119.600 0.004 0.000 2.144 389 M HA -0.191 4.290 4.480 0.002 0.000 0.260 389 M C 1.706 178.011 176.300 0.009 0.000 1.067 389 M CA 1.576 56.880 55.300 0.005 0.000 1.095 389 M CB 0.010 32.614 32.600 0.006 0.000 1.365 389 M HN -0.108 nan 8.290 nan 0.000 0.406 390 K N 0.292 120.699 120.400 0.010 0.000 2.002 390 K HA -0.199 4.122 4.320 0.002 0.000 0.209 390 K C 1.932 178.540 176.600 0.013 0.000 1.048 390 K CA 2.178 58.474 56.287 0.014 0.000 0.930 390 K CB -0.770 31.739 32.500 0.015 0.000 0.714 390 K HN 0.675 nan 8.250 nan 0.000 0.438 391 E N 1.263 121.468 120.200 0.009 0.000 2.072 391 E HA -0.162 4.189 4.350 0.002 0.000 0.190 391 E C 1.957 178.560 176.600 0.005 0.000 0.982 391 E CA 1.376 57.781 56.400 0.007 0.000 0.803 391 E CB -0.189 29.514 29.700 0.004 0.000 0.755 391 E HN 0.014 nan 8.360 nan 0.000 0.453 392 K N 1.218 121.620 120.400 0.002 0.000 2.057 392 K HA -0.132 4.190 4.320 0.002 0.000 0.207 392 K C 2.111 178.711 176.600 -0.001 0.000 1.049 392 K CA 1.933 58.219 56.287 -0.001 0.000 0.931 392 K CB -0.215 32.283 32.500 -0.002 0.000 0.714 392 K HN 0.193 nan 8.250 nan 0.000 0.440 393 K N -0.400 120.003 120.400 0.005 0.000 2.057 393 K HA -0.126 4.196 4.320 0.002 0.000 0.207 393 K C 1.906 178.513 176.600 0.012 0.000 1.049 393 K CA 1.340 57.633 56.287 0.009 0.000 0.931 393 K CB -0.289 32.221 32.500 0.016 0.000 0.714 393 K HN 0.209 nan 8.250 nan 0.000 0.440 394 A N 1.601 124.430 122.820 0.016 0.000 1.865 394 A HA -0.155 4.166 4.320 0.002 0.000 0.217 394 A C 1.836 179.426 177.584 0.009 0.000 1.191 394 A CA 1.491 53.541 52.037 0.021 0.000 0.623 394 A CB -0.527 18.487 19.000 0.022 0.000 0.826 394 A HN 0.346 nan 8.150 nan 0.000 0.444 395 R N -0.825 119.675 120.500 0.001 0.000 2.366 395 R HA 0.086 4.428 4.340 0.002 0.000 0.201 395 R C 0.563 176.849 176.300 -0.023 0.000 1.057 395 R CA 0.717 56.811 56.100 -0.009 0.000 1.086 395 R CB -0.166 30.130 30.300 -0.008 0.000 0.914 395 R HN 0.454 nan 8.270 nan 0.000 0.476 396 V N -1.442 118.453 119.914 -0.031 0.000 3.161 396 V HA -0.034 4.087 4.120 0.002 0.000 0.228 396 V C 1.815 177.850 176.094 -0.100 0.000 1.415 396 V CA 0.214 62.482 62.300 -0.054 0.000 1.285 396 V CB 0.468 32.270 31.823 -0.035 0.000 1.100 396 V HN 0.084 nan 8.190 nan 0.000 0.478 397 E N 1.407 121.565 120.200 -0.070 0.000 1.996 397 E HA -0.232 4.119 4.350 0.002 0.000 0.197 397 E C 1.678 178.156 176.600 -0.203 0.000 1.002 397 E CA 2.121 58.463 56.400 -0.096 0.000 0.840 397 E CB -0.281 29.468 29.700 0.082 0.000 0.786 397 E HN 0.645 nan 8.360 nan 0.000 0.469 398 D N 0.649 121.065 120.400 0.027 0.000 2.218 398 D HA -0.099 4.543 4.640 0.002 0.000 0.204 398 D C 1.668 177.973 176.300 0.008 0.000 0.976 398 D CA 1.185 55.249 54.000 0.106 0.000 0.853 398 D CB -0.032 40.828 40.800 0.101 0.000 0.939 398 D HN 0.197 nan 8.370 nan 0.000 0.481 399 A N 0.629 123.420 122.820 -0.048 0.000 1.968 399 A HA -0.047 4.275 4.320 0.002 0.000 0.217 399 A C 1.955 179.480 177.584 -0.097 0.000 1.169 399 A CA 0.475 52.481 52.037 -0.052 0.000 0.638 399 A CB -0.456 18.518 19.000 -0.042 0.000 0.812 399 A HN 0.258 nan 8.150 nan 0.000 0.446 400 L N -0.530 120.570 121.223 -0.204 0.000 2.056 400 L HA -0.134 4.208 4.340 0.002 0.000 0.207 400 L C 2.233 178.961 176.870 -0.236 0.000 1.078 400 L CA 2.129 56.823 54.840 -0.244 0.000 0.749 400 L CB -1.218 40.652 42.059 -0.315 0.000 0.901 400 L HN 0.494 nan 8.230 nan 0.000 0.433 401 H N 0.196 119.274 119.070 0.014 0.000 2.387 401 H HA -0.031 4.526 4.556 0.002 0.000 0.299 401 H C 2.213 177.551 175.328 0.018 0.000 1.090 401 H CA 1.288 57.346 56.048 0.017 0.000 1.332 401 H CB -0.402 29.372 29.762 0.020 0.000 1.386 401 H HN 0.458 nan 8.280 nan 0.000 0.516 402 A N 0.836 123.698 122.820 0.070 0.000 1.897 402 A HA -0.143 4.178 4.320 0.002 0.000 0.215 402 A C 2.649 180.248 177.584 0.025 0.000 1.181 402 A CA 2.115 54.181 52.037 0.048 0.000 0.620 402 A CB -0.813 18.206 19.000 0.031 0.000 0.821 402 A HN 0.575 nan 8.150 nan 0.000 0.443 403 T N -2.135 112.420 114.554 0.002 0.000 2.857 403 T HA -0.102 4.250 4.350 0.002 0.000 0.266 403 T C 1.952 176.657 174.700 0.009 0.000 1.048 403 T CA 0.911 63.010 62.100 -0.002 0.000 1.139 403 T CB -0.342 68.515 68.868 -0.017 0.000 0.874 403 T HN 0.386 nan 8.240 nan 0.000 0.455 404 R N 1.809 122.320 120.500 0.018 0.000 2.096 404 R HA 0.027 4.369 4.340 0.002 0.000 0.240 404 R C 2.909 179.233 176.300 0.039 0.000 1.139 404 R CA 1.600 57.722 56.100 0.036 0.000 0.952 404 R CB -1.234 29.107 30.300 0.068 0.000 0.854 404 R HN 0.578 nan 8.270 nan 0.000 0.436 405 A N 1.190 124.039 122.820 0.048 0.000 1.972 405 A HA -0.052 4.269 4.320 0.002 0.000 0.219 405 A C 2.408 180.008 177.584 0.026 0.000 1.169 405 A CA 1.676 53.738 52.037 0.043 0.000 0.635 405 A CB -0.441 18.592 19.000 0.055 0.000 0.810 405 A HN 0.385 nan 8.150 nan 0.000 0.446 406 A N -0.566 122.266 122.820 0.020 0.000 1.873 406 A HA 0.005 4.327 4.320 0.002 0.000 0.215 406 A C 2.190 179.781 177.584 0.010 0.000 1.186 406 A CA 1.694 53.738 52.037 0.012 0.000 0.616 406 A CB -0.949 18.056 19.000 0.008 0.000 0.823 406 A HN 0.386 nan 8.150 nan 0.000 0.442 407 V N 1.347 121.268 119.914 0.011 0.000 2.490 407 V HA -0.297 3.825 4.120 0.002 0.000 0.250 407 V C 2.603 178.703 176.094 0.010 0.000 1.061 407 V CA 2.372 64.677 62.300 0.009 0.000 1.064 407 V CB -0.960 30.869 31.823 0.009 0.000 0.670 407 V HN 0.910 nan 8.190 nan 0.000 0.461 408 E N 0.337 120.546 120.200 0.014 0.000 2.033 408 E HA -0.245 4.106 4.350 0.002 0.000 0.189 408 E C 2.080 178.685 176.600 0.009 0.000 0.979 408 E CA 1.545 57.953 56.400 0.013 0.000 0.802 408 E CB -0.290 29.421 29.700 0.018 0.000 0.763 408 E HN 0.658 nan 8.360 nan 0.000 0.449 409 E N 0.638 120.843 120.200 0.009 0.000 2.307 409 E HA 0.174 4.525 4.350 0.002 0.000 0.195 409 E C 0.505 177.107 176.600 0.003 0.000 0.975 409 E CA 0.586 56.988 56.400 0.004 0.000 0.878 409 E CB 0.637 30.338 29.700 0.002 0.000 0.845 409 E HN 0.391 nan 8.360 nan 0.000 0.488 410 G N -0.011 108.792 108.800 0.004 0.000 2.396 410 G HA2 -0.111 3.850 3.960 0.002 0.000 0.254 410 G HA3 -0.111 3.850 3.960 0.002 0.000 0.254 410 G C -0.693 174.209 174.900 0.002 0.000 1.248 410 G CA -0.510 44.591 45.100 0.003 0.000 1.033 410 G HN 0.665 nan 8.290 nan 0.000 0.502 411 V N -2.597 117.318 119.914 0.002 0.000 3.078 411 V HA 0.994 5.116 4.120 0.002 0.000 0.311 411 V C 0.349 176.444 176.094 0.002 0.000 1.138 411 V CA 0.057 62.358 62.300 0.002 0.000 1.007 411 V CB 1.282 33.106 31.823 0.001 0.000 1.045 411 V HN 2.494 nan 8.190 nan 0.000 0.432 412 V N -0.975 118.941 119.914 0.003 0.000 3.130 412 V HA 1.015 5.136 4.120 0.002 0.000 0.310 412 V C 0.416 176.514 176.094 0.006 0.000 1.158 412 V CA -0.660 61.643 62.300 0.005 0.000 1.029 412 V CB 1.355 33.181 31.823 0.005 0.000 1.057 412 V HN 2.199 nan 8.190 nan 0.000 0.436 413 A N 1.148 123.974 122.820 0.011 0.000 2.524 413 A HA 0.646 4.968 4.320 0.002 0.000 0.250 413 A C 0.792 178.382 177.584 0.009 0.000 1.078 413 A CA 0.697 52.741 52.037 0.012 0.000 0.761 413 A CB -0.599 18.414 19.000 0.022 0.000 1.012 413 A HN 1.968 nan 8.150 nan 0.000 0.500 414 G N 0.562 109.363 108.800 0.001 0.000 2.531 414 G HA2 0.543 4.505 3.960 0.002 0.000 0.281 414 G HA3 0.543 4.505 3.960 0.002 0.000 0.281 414 G C 1.082 175.979 174.900 -0.004 0.000 1.382 414 G CA -0.139 44.959 45.100 -0.003 0.000 1.045 414 G HN 2.190 nan 8.290 nan 0.000 0.533 415 G N -2.128 106.668 108.800 -0.007 0.000 2.187 415 G HA2 0.198 4.160 3.960 0.002 0.000 0.261 415 G HA3 0.198 4.160 3.960 0.002 0.000 0.261 415 G C 1.502 176.407 174.900 0.008 0.000 1.000 415 G CA 1.264 46.361 45.100 -0.005 0.000 0.718 415 G HN 2.522 nan 8.290 nan 0.000 0.519 416 G N -2.584 106.222 108.800 0.010 0.000 2.179 416 G HA2 -0.181 3.780 3.960 0.002 0.000 0.260 416 G HA3 -0.181 3.780 3.960 0.002 0.000 0.260 416 G C 1.455 176.368 174.900 0.022 0.000 0.977 416 G CA 1.428 46.537 45.100 0.015 0.000 0.641 416 G HN 1.621 nan 8.290 nan 0.000 0.533 417 V N 0.719 120.648 119.914 0.025 0.000 2.407 417 V HA 0.106 4.228 4.120 0.002 0.000 0.248 417 V C 3.066 179.183 176.094 0.038 0.000 1.055 417 V CA 2.981 65.304 62.300 0.038 0.000 1.049 417 V CB -0.547 31.302 31.823 0.042 0.000 0.662 417 V HN 1.117 nan 8.190 nan 0.000 0.455 418 A N -0.580 122.256 122.820 0.027 0.000 1.933 418 A HA -0.190 4.131 4.320 0.002 0.000 0.218 418 A C 2.104 179.700 177.584 0.020 0.000 1.175 418 A CA 2.060 54.111 52.037 0.024 0.000 0.628 418 A CB -0.637 18.373 19.000 0.016 0.000 0.814 418 A HN 0.521 nan 8.150 nan 0.000 0.444 419 L N 0.016 121.249 121.223 0.017 0.000 2.046 419 L HA -0.120 4.221 4.340 0.002 0.000 0.208 419 L C 2.260 179.141 176.870 0.019 0.000 1.077 419 L CA 1.681 56.529 54.840 0.013 0.000 0.747 419 L CB -0.356 41.709 42.059 0.010 0.000 0.896 419 L HN 0.456 nan 8.230 nan 0.000 0.432 420 I N -1.163 119.423 120.570 0.027 0.000 2.226 420 I HA -0.272 3.900 4.170 0.002 0.000 0.245 420 I C 2.459 178.596 176.117 0.033 0.000 1.100 420 I CA 0.693 62.013 61.300 0.033 0.000 1.374 420 I CB -0.437 37.589 38.000 0.044 0.000 1.057 420 I HN 0.235 nan 8.210 nan 0.000 0.413 421 R N 0.735 121.257 120.500 0.035 0.000 2.073 421 R HA -0.117 4.225 4.340 0.002 0.000 0.234 421 R C 2.379 178.693 176.300 0.022 0.000 1.134 421 R CA 1.751 57.871 56.100 0.033 0.000 0.952 421 R CB -1.344 28.979 30.300 0.037 0.000 0.850 421 R HN 0.464 nan 8.270 nan 0.000 0.433 422 V N -1.189 118.736 119.914 0.017 0.000 2.515 422 V HA -0.025 4.097 4.120 0.002 0.000 0.250 422 V C 2.324 178.424 176.094 0.010 0.000 1.058 422 V CA 1.640 63.946 62.300 0.011 0.000 1.064 422 V CB -1.080 30.746 31.823 0.006 0.000 0.675 422 V HN 0.169 nan 8.190 nan 0.000 0.461 423 A N 1.847 124.674 122.820 0.013 0.000 1.908 423 A HA -0.191 4.131 4.320 0.002 0.000 0.218 423 A C 2.644 180.236 177.584 0.013 0.000 1.181 423 A CA 2.831 54.875 52.037 0.012 0.000 0.627 423 A CB -1.145 17.864 19.000 0.015 0.000 0.818 423 A HN 0.991 nan 8.150 nan 0.000 0.445 424 S N -0.037 115.673 115.700 0.016 0.000 2.382 424 S HA -0.183 4.289 4.470 0.002 0.000 0.228 424 S C 1.844 176.450 174.600 0.011 0.000 1.027 424 S CA 1.476 59.685 58.200 0.014 0.000 0.991 424 S CB -0.408 62.803 63.200 0.019 0.000 0.823 424 S HN 0.609 nan 8.310 nan 0.000 0.469 425 K N 1.000 121.406 120.400 0.010 0.000 2.097 425 K HA 0.112 4.434 4.320 0.002 0.000 0.206 425 K C 1.690 178.293 176.600 0.006 0.000 1.049 425 K CA 1.246 57.537 56.287 0.008 0.000 0.933 425 K CB -0.414 32.090 32.500 0.007 0.000 0.717 425 K HN 0.421 nan 8.250 nan 0.000 0.442 426 L N 0.397 121.624 121.223 0.006 0.000 2.612 426 L HA 0.105 4.447 4.340 0.002 0.000 0.230 426 L C 2.113 178.986 176.870 0.005 0.000 1.140 426 L CA -0.290 54.553 54.840 0.005 0.000 0.896 426 L CB -0.294 41.768 42.059 0.004 0.000 1.065 426 L HN 0.122 nan 8.230 nan 0.000 0.447 427 A N 0.105 122.929 122.820 0.006 0.000 1.948 427 A HA -0.237 4.084 4.320 0.002 0.000 0.220 427 A C 1.904 179.490 177.584 0.004 0.000 1.177 427 A CA 1.826 53.866 52.037 0.005 0.000 0.636 427 A CB -0.272 18.731 19.000 0.005 0.000 0.815 427 A HN 0.365 nan 8.150 nan 0.000 0.449 428 D N -1.008 119.394 120.400 0.003 0.000 2.340 428 D HA 0.073 4.715 4.640 0.002 0.000 0.220 428 D C 0.104 176.406 176.300 0.003 0.000 1.039 428 D CA -0.087 53.915 54.000 0.003 0.000 0.866 428 D CB -0.032 40.769 40.800 0.002 0.000 0.913 428 D HN 0.324 nan 8.370 nan 0.000 0.523 429 L N 2.526 123.751 121.223 0.003 0.000 2.534 429 L HA 0.009 4.350 4.340 0.002 0.000 0.271 429 L C 0.101 176.973 176.870 0.003 0.000 1.178 429 L CA 0.346 55.188 54.840 0.003 0.000 0.907 429 L CB 0.188 42.249 42.059 0.003 0.000 1.164 429 L HN -0.243 nan 8.230 nan 0.000 0.482 430 R N 3.841 124.343 120.500 0.003 0.000 2.536 430 R HA 0.582 4.924 4.340 0.002 0.000 0.279 430 R C 0.328 176.631 176.300 0.004 0.000 1.001 430 R CA -0.098 56.004 56.100 0.003 0.000 1.027 430 R CB 1.036 31.337 30.300 0.003 0.000 1.096 430 R HN 0.828 nan 8.270 nan 0.000 0.502 431 G N 0.173 108.976 108.800 0.004 0.000 2.630 431 G HA2 0.094 4.056 3.960 0.002 0.000 0.223 431 G HA3 0.094 4.056 3.960 0.002 0.000 0.223 431 G C 0.268 175.171 174.900 0.004 0.000 1.434 431 G CA -0.166 44.937 45.100 0.004 0.000 1.057 431 G HN 0.490 nan 8.290 nan 0.000 0.570 432 Q N -0.579 119.224 119.800 0.004 0.000 2.297 432 Q HA 0.115 4.456 4.340 0.002 0.000 0.203 432 Q C 0.203 176.206 176.000 0.004 0.000 0.931 432 Q CA 0.515 56.321 55.803 0.004 0.000 0.885 432 Q CB 0.248 28.989 28.738 0.005 0.000 0.991 432 Q HN 0.625 nan 8.270 nan 0.000 0.498 433 N N -1.280 117.423 118.700 0.005 0.000 2.831 433 N HA 0.052 4.793 4.740 0.002 0.000 0.276 433 N C 0.042 175.555 175.510 0.005 0.000 1.416 433 N CA -0.497 52.556 53.050 0.005 0.000 0.799 433 N CB 0.735 39.225 38.487 0.005 0.000 1.554 433 N HN -0.249 nan 8.380 nan 0.000 0.541 434 E N -0.255 119.948 120.200 0.005 0.000 2.106 434 E HA -0.107 4.245 4.350 0.002 0.000 0.192 434 E C 0.217 176.821 176.600 0.006 0.000 0.984 434 E CA 1.586 57.989 56.400 0.005 0.000 0.806 434 E CB -0.301 29.402 29.700 0.005 0.000 0.750 434 E HN 0.685 nan 8.360 nan 0.000 0.458 435 D N -0.201 120.203 120.400 0.007 0.000 2.149 435 D HA -0.182 4.459 4.640 0.002 0.000 0.198 435 D C 1.827 178.131 176.300 0.008 0.000 0.990 435 D CA 1.212 55.216 54.000 0.008 0.000 0.839 435 D CB -0.050 40.755 40.800 0.008 0.000 0.948 435 D HN 0.281 nan 8.370 nan 0.000 0.460 436 Q N -0.113 119.691 119.800 0.007 0.000 2.123 436 Q HA -0.055 4.287 4.340 0.002 0.000 0.199 436 Q C 1.709 177.712 176.000 0.007 0.000 0.966 436 Q CA 0.590 56.398 55.803 0.007 0.000 0.845 436 Q CB 0.069 28.811 28.738 0.006 0.000 0.907 436 Q HN 0.269 nan 8.270 nan 0.000 0.439 437 N N 0.244 118.948 118.700 0.006 0.000 2.069 437 N HA -0.139 4.602 4.740 0.002 0.000 0.191 437 N C 1.878 177.392 175.510 0.006 0.000 1.031 437 N CA 1.166 54.219 53.050 0.006 0.000 0.852 437 N CB -0.373 38.117 38.487 0.005 0.000 1.018 437 N HN 0.049 nan 8.380 nan 0.000 0.423 438 V N 0.931 120.849 119.914 0.007 0.000 2.407 438 V HA -0.151 3.971 4.120 0.002 0.000 0.248 438 V C 2.435 178.534 176.094 0.008 0.000 1.055 438 V CA 1.976 64.281 62.300 0.007 0.000 1.049 438 V CB -1.236 30.592 31.823 0.008 0.000 0.662 438 V HN 0.352 nan 8.190 nan 0.000 0.455 439 G N 0.060 108.865 108.800 0.009 0.000 2.421 439 G HA2 -0.235 3.727 3.960 0.002 0.000 0.216 439 G HA3 -0.235 3.727 3.960 0.002 0.000 0.216 439 G C 1.576 176.481 174.900 0.009 0.000 1.171 439 G CA 1.131 46.236 45.100 0.009 0.000 0.775 439 G HN 0.481 nan 8.290 nan 0.000 0.543 440 I N 0.297 120.872 120.570 0.007 0.000 2.151 440 I HA -0.156 4.015 4.170 0.002 0.000 0.243 440 I C 2.174 178.295 176.117 0.007 0.000 1.080 440 I CA 1.211 62.515 61.300 0.007 0.000 1.339 440 I CB -0.062 37.941 38.000 0.006 0.000 1.039 440 I HN -0.017 nan 8.210 nan 0.000 0.409 441 K N 0.222 120.627 120.400 0.007 0.000 2.569 441 K HA 0.053 4.374 4.320 0.002 0.000 0.193 441 K C 1.315 177.920 176.600 0.009 0.000 1.026 441 K CA 0.298 56.590 56.287 0.008 0.000 1.093 441 K CB -0.199 32.306 32.500 0.007 0.000 0.849 441 K HN 0.181 nan 8.250 nan 0.000 0.509 442 V N -0.639 119.281 119.914 0.010 0.000 2.521 442 V HA 0.002 4.123 4.120 0.002 0.000 0.239 442 V C 2.022 178.123 176.094 0.011 0.000 1.053 442 V CA 1.419 63.726 62.300 0.011 0.000 1.073 442 V CB -0.203 31.627 31.823 0.012 0.000 0.746 442 V HN 0.278 nan 8.190 nan 0.000 0.476 443 A N 0.311 123.137 122.820 0.010 0.000 1.865 443 A HA -0.171 4.150 4.320 0.002 0.000 0.217 443 A C 2.154 179.743 177.584 0.009 0.000 1.191 443 A CA 1.895 53.938 52.037 0.009 0.000 0.623 443 A CB -0.670 18.334 19.000 0.007 0.000 0.826 443 A HN 0.482 nan 8.150 nan 0.000 0.444 444 L N -1.367 119.861 121.223 0.008 0.000 2.131 444 L HA -0.159 4.182 4.340 0.002 0.000 0.210 444 L C 2.763 179.639 176.870 0.011 0.000 1.092 444 L CA 1.427 56.272 54.840 0.009 0.000 0.759 444 L CB -0.545 41.519 42.059 0.008 0.000 0.903 444 L HN 0.414 nan 8.230 nan 0.000 0.435 445 R N 0.377 120.884 120.500 0.011 0.000 2.105 445 R HA -0.168 4.174 4.340 0.002 0.000 0.239 445 R C 2.219 178.528 176.300 0.014 0.000 1.135 445 R CA 1.432 57.540 56.100 0.013 0.000 0.967 445 R CB -0.179 30.128 30.300 0.012 0.000 0.861 445 R HN 0.370 nan 8.270 nan 0.000 0.442 446 A N -0.078 122.750 122.820 0.014 0.000 2.167 446 A HA -0.043 4.279 4.320 0.002 0.000 0.214 446 A C 1.863 179.456 177.584 0.015 0.000 1.151 446 A CA 0.596 52.642 52.037 0.015 0.000 0.735 446 A CB -0.196 18.813 19.000 0.015 0.000 0.802 446 A HN 0.271 nan 8.150 nan 0.000 0.467 447 M N -0.625 118.983 119.600 0.014 0.000 2.557 447 M HA -0.083 4.399 4.480 0.002 0.000 0.259 447 M C 1.359 177.670 176.300 0.019 0.000 1.086 447 M CA 0.940 56.249 55.300 0.014 0.000 1.096 447 M CB -0.198 32.410 32.600 0.013 0.000 1.424 447 M HN 0.456 nan 8.290 nan 0.000 0.488 448 E N 0.354 120.567 120.200 0.021 0.000 2.371 448 E HA -0.005 4.346 4.350 0.002 0.000 0.194 448 E C 2.059 178.674 176.600 0.024 0.000 1.012 448 E CA 0.505 56.920 56.400 0.025 0.000 0.860 448 E CB 0.058 29.774 29.700 0.026 0.000 0.811 448 E HN 0.483 nan 8.360 nan 0.000 0.502 449 A N 2.293 125.126 122.820 0.021 0.000 1.908 449 A HA -0.115 4.207 4.320 0.002 0.000 0.218 449 A C -0.348 177.248 177.584 0.020 0.000 1.181 449 A CA 1.115 53.164 52.037 0.020 0.000 0.627 449 A CB -1.282 17.729 19.000 0.019 0.000 0.818 449 A HN 0.134 nan 8.150 nan 0.000 0.445 450 P HA -0.164 nan 4.420 nan 0.000 0.214 450 P C 1.854 179.165 177.300 0.020 0.000 1.163 450 P CA 0.816 63.927 63.100 0.018 0.000 0.883 450 P CB -0.155 31.554 31.700 0.016 0.000 0.788 451 L N 0.126 121.364 121.223 0.024 0.000 1.989 451 L HA -0.177 4.165 4.340 0.002 0.000 0.211 451 L C 2.168 179.057 176.870 0.032 0.000 1.071 451 L CA 2.160 57.018 54.840 0.030 0.000 0.749 451 L CB -1.046 41.036 42.059 0.038 0.000 0.890 451 L HN -0.056 nan 8.230 nan 0.000 0.431 452 R N -0.728 119.790 120.500 0.030 0.000 2.105 452 R HA -0.185 4.157 4.340 0.002 0.000 0.239 452 R C 2.194 178.509 176.300 0.025 0.000 1.135 452 R CA 1.493 57.609 56.100 0.028 0.000 0.967 452 R CB -0.153 30.161 30.300 0.024 0.000 0.861 452 R HN 0.541 nan 8.270 nan 0.000 0.442 453 Q N 0.259 120.071 119.800 0.021 0.000 2.187 453 Q HA -0.025 4.316 4.340 0.002 0.000 0.199 453 Q C 2.176 178.186 176.000 0.017 0.000 0.957 453 Q CA 1.005 56.819 55.803 0.018 0.000 0.857 453 Q CB 0.027 28.775 28.738 0.017 0.000 0.929 453 Q HN 0.420 nan 8.270 nan 0.000 0.453 454 I N -0.067 120.513 120.570 0.017 0.000 2.179 454 I HA -0.251 3.921 4.170 0.002 0.000 0.242 454 I C 2.223 178.352 176.117 0.019 0.000 1.088 454 I CA 0.904 62.211 61.300 0.013 0.000 1.357 454 I CB -0.319 37.686 38.000 0.008 0.000 1.051 454 I HN -0.047 nan 8.210 nan 0.000 0.409 455 V N 0.579 120.513 119.914 0.033 0.000 2.490 455 V HA -0.255 3.867 4.120 0.002 0.000 0.250 455 V C 2.319 178.433 176.094 0.033 0.000 1.061 455 V CA 1.462 63.790 62.300 0.046 0.000 1.064 455 V CB -0.475 31.383 31.823 0.058 0.000 0.670 455 V HN 0.355 nan 8.190 nan 0.000 0.461 456 L N 0.386 121.624 121.223 0.025 0.000 2.072 456 L HA -0.079 4.263 4.340 0.002 0.000 0.205 456 L C 2.180 179.059 176.870 0.015 0.000 1.079 456 L CA 1.813 56.665 54.840 0.020 0.000 0.752 456 L CB -0.916 41.153 42.059 0.017 0.000 0.906 456 L HN 0.301 nan 8.230 nan 0.000 0.436 457 N N -0.925 117.783 118.700 0.013 0.000 2.149 457 N HA -0.212 4.529 4.740 0.002 0.000 0.188 457 N C 1.749 177.263 175.510 0.006 0.000 1.019 457 N CA 1.805 54.859 53.050 0.008 0.000 0.857 457 N CB -0.271 38.219 38.487 0.005 0.000 0.997 457 N HN 0.441 nan 8.380 nan 0.000 0.426 458 C N -0.026 119.280 119.300 0.009 0.000 2.422 458 C HA 0.029 4.491 4.460 0.002 0.000 0.286 458 C C 1.698 176.697 174.990 0.014 0.000 1.412 458 C CA 0.661 59.685 59.018 0.009 0.000 1.786 458 C CB -1.214 26.537 27.740 0.017 0.000 1.835 458 C HN 0.681 nan 8.230 nan 0.000 0.533 459 G N 0.820 109.630 108.800 0.017 0.000 2.149 459 G HA2 -0.173 3.789 3.960 0.002 0.000 0.235 459 G HA3 -0.173 3.789 3.960 0.002 0.000 0.235 459 G C -0.333 174.580 174.900 0.022 0.000 1.018 459 G CA 0.223 45.332 45.100 0.016 0.000 0.728 459 G HN 0.637 nan 8.290 nan 0.000 0.508 460 E N -0.565 119.653 120.200 0.029 0.000 2.378 460 E HA 0.459 4.810 4.350 0.002 0.000 0.265 460 E C -0.600 176.018 176.600 0.029 0.000 0.932 460 E CA -1.002 55.419 56.400 0.035 0.000 0.795 460 E CB 1.442 31.176 29.700 0.058 0.000 1.296 460 E HN 0.309 nan 8.360 nan 0.000 0.438 461 E N 1.760 121.974 120.200 0.023 0.000 1.996 461 E HA 0.094 4.445 4.350 0.002 0.000 0.280 461 E C -1.893 174.715 176.600 0.014 0.000 1.092 461 E CA -1.604 54.805 56.400 0.015 0.000 0.862 461 E CB 0.823 30.529 29.700 0.010 0.000 1.066 461 E HN 0.209 nan 8.360 nan 0.000 0.396 462 P HA -0.210 nan 4.420 nan 0.000 0.215 462 P C 1.380 178.690 177.300 0.018 0.000 1.157 462 P CA 1.246 64.358 63.100 0.021 0.000 0.868 462 P CB 0.199 31.912 31.700 0.021 0.000 0.788 463 S N -1.490 114.218 115.700 0.015 0.000 2.507 463 S HA -0.059 4.412 4.470 0.002 0.000 0.235 463 S C 1.867 176.473 174.600 0.010 0.000 0.988 463 S CA 0.791 58.999 58.200 0.014 0.000 0.944 463 S CB -1.535 61.672 63.200 0.011 0.000 0.762 463 S HN -0.058 nan 8.310 nan 0.000 0.526 464 V N 1.575 121.492 119.914 0.004 0.000 2.283 464 V HA -0.091 4.031 4.120 0.002 0.000 0.243 464 V C 2.578 178.670 176.094 -0.003 0.000 1.039 464 V CA 1.429 63.726 62.300 -0.004 0.000 1.016 464 V CB -0.815 31.000 31.823 -0.013 0.000 0.650 464 V HN 0.449 nan 8.190 nan 0.000 0.449 465 V N 0.644 120.551 119.914 -0.013 0.000 2.407 465 V HA -0.233 3.888 4.120 0.002 0.000 0.248 465 V C 2.738 178.866 176.094 0.056 0.000 1.055 465 V CA 1.842 64.138 62.300 -0.005 0.000 1.049 465 V CB -1.267 30.536 31.823 -0.032 0.000 0.662 465 V HN 0.535 nan 8.190 nan 0.000 0.455 466 A N 0.465 123.311 122.820 0.044 0.000 1.883 466 A HA -0.232 4.089 4.320 0.002 0.000 0.217 466 A C 2.040 179.655 177.584 0.052 0.000 1.186 466 A CA 2.047 54.114 52.037 0.051 0.000 0.624 466 A CB -0.609 18.412 19.000 0.036 0.000 0.822 466 A HN 0.603 nan 8.150 nan 0.000 0.444 467 N N -0.591 118.129 118.700 0.034 0.000 2.467 467 N HA -0.078 4.664 4.740 0.002 0.000 0.184 467 N C 1.648 177.169 175.510 0.019 0.000 1.106 467 N CA 1.477 54.540 53.050 0.021 0.000 0.892 467 N CB -0.051 38.440 38.487 0.006 0.000 0.969 467 N HN 0.775 nan 8.380 nan 0.000 0.454 468 T N -2.185 112.393 114.554 0.040 0.000 2.866 468 T HA 0.032 4.384 4.350 0.002 0.000 0.250 468 T C 2.176 176.995 174.700 0.198 0.000 1.033 468 T CA 0.417 62.543 62.100 0.043 0.000 1.145 468 T CB -0.695 68.145 68.868 -0.047 0.000 0.866 468 T HN -0.192 nan 8.240 nan 0.000 0.434 469 V N 2.405 122.478 119.914 0.264 0.000 2.282 469 V HA -0.212 3.910 4.120 0.002 0.000 0.249 469 V C 2.645 178.869 176.094 0.217 0.000 1.057 469 V CA 2.067 64.557 62.300 0.316 0.000 1.032 469 V CB -0.654 31.288 31.823 0.198 0.000 0.645 469 V HN 0.540 nan 8.190 nan 0.000 0.447 470 K N -0.233 120.237 120.400 0.116 0.000 2.486 470 K HA 0.022 4.343 4.320 0.002 0.000 0.194 470 K C 2.013 178.625 176.600 0.020 0.000 1.033 470 K CA 0.789 57.112 56.287 0.061 0.000 1.004 470 K CB -0.193 32.332 32.500 0.041 0.000 0.798 470 K HN 0.586 nan 8.250 nan 0.000 0.495 471 G N 1.249 110.048 108.800 -0.001 0.000 2.417 471 G HA2 -0.032 3.930 3.960 0.002 0.000 0.212 471 G HA3 -0.032 3.930 3.960 0.002 0.000 0.212 471 G C 0.797 175.607 174.900 -0.150 0.000 1.187 471 G CA 0.315 45.373 45.100 -0.071 0.000 0.804 471 G HN 0.342 nan 8.290 nan 0.000 0.534 472 G N -0.490 108.146 108.800 -0.273 0.000 2.651 472 G HA2 0.452 4.414 3.960 0.002 0.000 0.260 472 G HA3 0.452 4.414 3.960 0.002 0.000 0.260 472 G C -0.915 173.873 174.900 -0.186 0.000 1.216 472 G CA -0.271 44.494 45.100 -0.558 0.000 0.913 472 G HN 0.249 nan 8.290 nan 0.000 0.535 473 D N -1.284 119.029 120.400 -0.145 0.000 2.581 473 D HA 0.516 5.158 4.640 0.002 0.000 0.232 473 D C 0.754 177.098 176.300 0.074 0.000 1.143 473 D CA 0.626 54.620 54.000 -0.010 0.000 0.881 473 D CB 2.124 42.897 40.800 -0.045 0.000 1.500 473 D HN 0.854 nan 8.370 nan 0.000 0.458 474 G N 1.866 110.707 108.800 0.069 0.000 2.556 474 G HA2 -0.320 3.642 3.960 0.002 0.000 0.283 474 G HA3 -0.320 3.642 3.960 0.002 0.000 0.283 474 G C 0.543 175.507 174.900 0.107 0.000 1.177 474 G CA -0.012 45.133 45.100 0.075 0.000 0.978 474 G HN 0.556 nan 8.290 nan 0.000 0.554 475 N N 0.447 119.210 118.700 0.105 0.000 2.449 475 N HA 0.061 4.803 4.740 0.002 0.000 0.191 475 N C 0.611 176.204 175.510 0.139 0.000 1.161 475 N CA 0.515 53.624 53.050 0.098 0.000 0.863 475 N CB -0.106 38.419 38.487 0.065 0.000 0.980 475 N HN 0.531 nan 8.380 nan 0.000 0.458 476 Y N 1.447 121.782 120.300 0.058 0.000 2.721 476 Y HA 0.234 4.786 4.550 0.002 0.000 0.329 476 Y C 0.950 176.922 175.900 0.120 0.000 1.211 476 Y CA 0.431 58.585 58.100 0.090 0.000 1.512 476 Y CB 0.051 38.558 38.460 0.077 0.000 1.249 476 Y HN 0.079 nan 8.280 nan 0.000 0.549 477 G N 4.068 112.668 108.800 -0.334 0.000 2.731 477 G HA2 0.287 4.248 3.960 0.002 0.000 0.309 477 G HA3 0.287 4.248 3.960 0.002 0.000 0.309 477 G C -2.503 172.267 174.900 -0.217 0.000 1.273 477 G CA -0.863 44.110 45.100 -0.212 0.000 0.798 477 G HN 0.482 nan 8.290 nan 0.000 0.509 478 Y N 1.250 121.359 120.300 -0.319 0.000 2.350 478 Y HA 0.577 5.128 4.550 0.002 0.000 0.338 478 Y C -0.279 175.429 175.900 -0.320 0.000 0.961 478 Y CA -1.698 56.093 58.100 -0.516 0.000 1.100 478 Y CB 1.805 39.895 38.460 -0.616 0.000 1.179 478 Y HN 0.427 nan 8.280 nan 0.000 0.454 479 N N 4.441 122.724 118.700 -0.695 0.000 2.415 479 N HA 0.147 4.889 4.740 0.002 0.000 0.250 479 N C 0.593 175.710 175.510 -0.654 0.000 1.127 479 N CA 0.642 53.379 53.050 -0.521 0.000 0.945 479 N CB 1.215 39.483 38.487 -0.365 0.000 1.196 479 N HN 0.864 nan 8.380 nan 0.000 0.499 480 A N 3.281 125.854 122.820 -0.412 0.000 2.178 480 A HA -0.023 4.298 4.320 0.002 0.000 0.218 480 A C 1.761 179.215 177.584 -0.216 0.000 1.157 480 A CA 1.612 53.478 52.037 -0.284 0.000 0.689 480 A CB -0.207 18.712 19.000 -0.134 0.000 0.787 480 A HN 0.693 nan 8.150 nan 0.000 0.465 481 A N -1.228 121.466 122.820 -0.210 0.000 2.115 481 A HA 0.205 4.526 4.320 0.002 0.000 0.211 481 A C 2.030 179.523 177.584 -0.153 0.000 1.169 481 A CA 1.665 53.614 52.037 -0.147 0.000 0.787 481 A CB -0.193 18.739 19.000 -0.113 0.000 0.858 481 A HN 0.693 nan 8.150 nan 0.000 0.474 482 T N -4.827 109.601 114.554 -0.211 0.000 2.958 482 T HA 0.262 4.614 4.350 0.002 0.000 0.256 482 T C 0.312 174.888 174.700 -0.207 0.000 0.983 482 T CA 0.782 62.778 62.100 -0.174 0.000 0.924 482 T CB -0.030 68.750 68.868 -0.147 0.000 1.136 482 T HN 0.437 nan 8.240 nan 0.000 0.506 483 E N 1.352 121.322 120.200 -0.383 0.000 3.169 483 E HA -0.144 4.207 4.350 0.002 0.000 0.305 483 E C -0.183 176.253 176.600 -0.275 0.000 0.912 483 E CA 0.753 56.901 56.400 -0.419 0.000 1.029 483 E CB -1.625 28.020 29.700 -0.091 0.000 1.514 483 E HN 0.951 nan 8.360 nan 0.000 0.412 484 E N 0.144 120.126 120.200 -0.362 0.000 2.235 484 E HA 0.511 4.863 4.350 0.002 0.000 0.265 484 E C -0.758 175.734 176.600 -0.179 0.000 0.940 484 E CA -0.815 55.523 56.400 -0.105 0.000 0.819 484 E CB 1.054 30.724 29.700 -0.051 0.000 1.206 484 E HN 0.075 nan 8.360 nan 0.000 0.409 485 Y N 0.027 120.405 120.300 0.131 0.000 2.334 485 Y HA 0.625 5.177 4.550 0.002 0.000 0.328 485 Y C 0.853 176.729 175.900 -0.040 0.000 1.130 485 Y CA 0.647 58.760 58.100 0.022 0.000 1.163 485 Y CB 2.186 40.667 38.460 0.035 0.000 1.207 485 Y HN 0.865 nan 8.280 nan 0.000 0.471 486 G N 1.310 110.111 108.800 0.002 0.000 2.335 486 G HA2 0.027 3.989 3.960 0.002 0.000 0.291 486 G HA3 0.027 3.989 3.960 0.002 0.000 0.291 486 G C -1.764 173.142 174.900 0.010 0.000 1.261 486 G CA -1.249 43.880 45.100 0.049 0.000 0.871 486 G HN 0.462 nan 8.290 nan 0.000 0.491 487 N N 1.059 119.788 118.700 0.048 0.000 2.431 487 N HA 0.121 4.862 4.740 0.002 0.000 0.265 487 N C 1.845 177.354 175.510 -0.003 0.000 1.184 487 N CA -0.294 52.780 53.050 0.040 0.000 0.943 487 N CB 0.598 39.113 38.487 0.048 0.000 1.080 487 N HN 0.367 nan 8.380 nan 0.000 0.477 488 M N 3.484 123.077 119.600 -0.012 0.000 2.144 488 M HA -0.194 4.287 4.480 0.002 0.000 0.260 488 M C 1.375 177.661 176.300 -0.023 0.000 1.067 488 M CA 1.160 56.441 55.300 -0.031 0.000 1.095 488 M CB -0.645 31.942 32.600 -0.021 0.000 1.365 488 M HN 0.575 nan 8.290 nan 0.000 0.406 489 I N 0.370 120.937 120.570 -0.006 0.000 2.179 489 I HA -0.269 3.902 4.170 0.002 0.000 0.242 489 I C 1.817 177.928 176.117 -0.010 0.000 1.088 489 I CA 1.544 62.841 61.300 -0.006 0.000 1.357 489 I CB -1.595 36.408 38.000 0.004 0.000 1.051 489 I HN 0.254 nan 8.210 nan 0.000 0.409 490 D N 0.269 120.666 120.400 -0.007 0.000 2.234 490 D HA -0.039 4.602 4.640 0.002 0.000 0.205 490 D C 2.203 178.491 176.300 -0.020 0.000 0.962 490 D CA 0.678 54.673 54.000 -0.008 0.000 0.855 490 D CB -0.072 40.729 40.800 0.002 0.000 0.951 490 D HN 0.323 nan 8.370 nan 0.000 0.500 491 M N -0.442 119.138 119.600 -0.032 0.000 2.686 491 M HA 0.089 4.571 4.480 0.002 0.000 0.246 491 M C 1.167 177.434 176.300 -0.056 0.000 1.096 491 M CA 0.795 56.062 55.300 -0.054 0.000 1.076 491 M CB 0.344 32.895 32.600 -0.082 0.000 1.504 491 M HN 0.166 nan 8.290 nan 0.000 0.524 492 G N 1.188 109.964 108.800 -0.040 0.000 2.201 492 G HA2 -0.185 3.776 3.960 0.002 0.000 0.212 492 G HA3 -0.185 3.776 3.960 0.002 0.000 0.212 492 G C 0.114 174.994 174.900 -0.033 0.000 0.994 492 G CA -0.600 44.479 45.100 -0.036 0.000 0.644 492 G HN 0.439 nan 8.290 nan 0.000 0.508 493 I N 2.275 122.824 120.570 -0.035 0.000 2.354 493 I HA 0.622 4.793 4.170 0.002 0.000 0.286 493 I C 0.187 176.292 176.117 -0.020 0.000 1.007 493 I CA -0.947 60.334 61.300 -0.033 0.000 1.167 493 I CB 1.114 39.085 38.000 -0.048 0.000 1.320 493 I HN 0.258 nan 8.210 nan 0.000 0.458 494 L N 2.801 124.015 121.223 -0.015 0.000 2.431 494 L HA 0.752 5.094 4.340 0.002 0.000 0.266 494 L C -1.480 175.386 176.870 -0.006 0.000 0.978 494 L CA -0.911 53.924 54.840 -0.008 0.000 0.822 494 L CB 2.220 44.276 42.059 -0.005 0.000 1.310 494 L HN 0.213 nan 8.230 nan 0.000 0.409 495 D N 2.315 122.713 120.400 -0.003 0.000 2.168 495 D HA 0.460 5.101 4.640 0.002 0.000 0.246 495 D C -2.558 173.743 176.300 0.001 0.000 1.050 495 D CA -1.473 52.527 54.000 -0.001 0.000 0.857 495 D CB 1.868 42.669 40.800 0.001 0.000 1.169 495 D HN 0.363 nan 8.370 nan 0.000 0.453 496 P HA 0.052 nan 4.420 nan 0.000 0.268 496 P C 0.787 178.088 177.300 0.002 0.000 1.204 496 P CA -0.011 63.091 63.100 0.004 0.000 0.768 496 P CB 0.651 32.356 31.700 0.009 0.000 0.842 497 T N 2.335 116.888 114.554 -0.000 0.000 2.684 497 T HA -0.198 4.153 4.350 0.002 0.000 0.267 497 T C 1.633 176.327 174.700 -0.011 0.000 1.036 497 T CA 1.436 63.533 62.100 -0.006 0.000 1.148 497 T CB -0.330 68.534 68.868 -0.006 0.000 0.863 497 T HN 0.481 nan 8.240 nan 0.000 0.436 498 K N 0.987 121.385 120.400 -0.004 0.000 2.063 498 K HA -0.127 4.195 4.320 0.002 0.000 0.208 498 K C 2.411 179.007 176.600 -0.008 0.000 1.048 498 K CA 1.619 57.903 56.287 -0.005 0.000 0.928 498 K CB -0.364 32.143 32.500 0.012 0.000 0.713 498 K HN 0.354 nan 8.250 nan 0.000 0.442 499 V N -1.345 118.574 119.914 0.007 0.000 2.358 499 V HA -0.174 3.948 4.120 0.002 0.000 0.246 499 V C 1.859 177.950 176.094 -0.005 0.000 1.047 499 V CA 2.174 64.484 62.300 0.016 0.000 1.035 499 V CB -1.053 30.787 31.823 0.028 0.000 0.658 499 V HN 0.271 nan 8.190 nan 0.000 0.452 500 T N 0.433 114.979 114.554 -0.012 0.000 2.643 500 T HA -0.136 4.215 4.350 0.002 0.000 0.264 500 T C 2.118 176.790 174.700 -0.047 0.000 1.045 500 T CA 1.965 64.053 62.100 -0.020 0.000 1.155 500 T CB -0.438 68.422 68.868 -0.012 0.000 0.863 500 T HN 0.421 nan 8.240 nan 0.000 0.420 501 R N 1.223 121.687 120.500 -0.059 0.000 2.073 501 R HA -0.050 4.292 4.340 0.002 0.000 0.234 501 R C 2.507 178.702 176.300 -0.174 0.000 1.134 501 R CA 1.795 57.841 56.100 -0.090 0.000 0.952 501 R CB -0.821 29.437 30.300 -0.069 0.000 0.850 501 R HN 0.342 nan 8.270 nan 0.000 0.433 502 S N 0.701 116.274 115.700 -0.212 0.000 2.368 502 S HA -0.049 4.422 4.470 0.002 0.000 0.224 502 S C 2.092 176.375 174.600 -0.528 0.000 1.029 502 S CA 1.050 58.964 58.200 -0.476 0.000 0.988 502 S CB -0.280 62.746 63.200 -0.289 0.000 0.838 502 S HN 0.531 nan 8.310 nan 0.000 0.462 503 A N 2.184 124.906 122.820 -0.163 0.000 1.908 503 A HA -0.053 4.268 4.320 0.002 0.000 0.218 503 A C 2.095 179.650 177.584 -0.048 0.000 1.181 503 A CA 1.192 53.215 52.037 -0.023 0.000 0.627 503 A CB -0.793 18.219 19.000 0.020 0.000 0.818 503 A HN 0.430 nan 8.150 nan 0.000 0.445 504 L N -0.211 120.962 121.223 -0.083 0.000 2.017 504 L HA -0.220 4.121 4.340 0.002 0.000 0.208 504 L C 2.457 179.281 176.870 -0.078 0.000 1.073 504 L CA 2.429 57.233 54.840 -0.059 0.000 0.745 504 L CB -1.247 40.780 42.059 -0.054 0.000 0.894 504 L HN 0.550 nan 8.230 nan 0.000 0.432 505 Q N -1.135 118.561 119.800 -0.173 0.000 2.020 505 Q HA -0.239 4.102 4.340 0.002 0.000 0.202 505 Q C 2.097 178.066 176.000 -0.052 0.000 0.982 505 Q CA 1.946 57.651 55.803 -0.164 0.000 0.838 505 Q CB -0.298 28.266 28.738 -0.290 0.000 0.899 505 Q HN 0.502 nan 8.270 nan 0.000 0.423 506 Y N 0.196 120.501 120.300 0.008 0.000 2.224 506 Y HA -0.147 4.405 4.550 0.003 0.000 0.289 506 Y C 2.370 178.275 175.900 0.007 0.000 1.146 506 Y CA 0.652 58.756 58.100 0.007 0.000 1.182 506 Y CB -1.120 37.344 38.460 0.007 0.000 0.983 506 Y HN 0.133 nan 8.280 nan 0.000 0.524 507 A N 0.341 123.247 122.820 0.143 0.000 1.865 507 A HA -0.136 4.185 4.320 0.002 0.000 0.217 507 A C 2.532 180.152 177.584 0.059 0.000 1.191 507 A CA 2.303 54.389 52.037 0.083 0.000 0.623 507 A CB -1.281 17.751 19.000 0.053 0.000 0.826 507 A HN 0.384 nan 8.150 nan 0.000 0.444 508 A N -1.054 121.791 122.820 0.042 0.000 1.930 508 A HA -0.045 4.277 4.320 0.002 0.000 0.217 508 A C 2.453 180.061 177.584 0.040 0.000 1.175 508 A CA 2.086 54.142 52.037 0.031 0.000 0.627 508 A CB -0.895 18.113 19.000 0.014 0.000 0.815 508 A HN 0.587 nan 8.150 nan 0.000 0.443 509 S N -0.479 115.256 115.700 0.059 0.000 2.343 509 S HA -0.146 4.326 4.470 0.002 0.000 0.219 509 S C 1.928 176.562 174.600 0.056 0.000 1.033 509 S CA 1.824 60.064 58.200 0.066 0.000 1.014 509 S CB -0.562 62.704 63.200 0.110 0.000 0.915 509 S HN 0.298 nan 8.310 nan 0.000 0.435 510 V N 2.203 122.155 119.914 0.063 0.000 2.343 510 V HA -0.146 3.975 4.120 0.002 0.000 0.247 510 V C 2.852 178.966 176.094 0.034 0.000 1.051 510 V CA 1.861 64.186 62.300 0.043 0.000 1.036 510 V CB -1.354 30.494 31.823 0.042 0.000 0.654 510 V HN 0.634 nan 8.190 nan 0.000 0.451 511 A N 0.373 123.214 122.820 0.036 0.000 1.873 511 A HA -0.074 4.248 4.320 0.002 0.000 0.215 511 A C 2.411 180.010 177.584 0.025 0.000 1.186 511 A CA 1.869 53.923 52.037 0.028 0.000 0.616 511 A CB -1.231 17.786 19.000 0.028 0.000 0.823 511 A HN 0.530 nan 8.150 nan 0.000 0.442 512 G N -0.619 108.197 108.800 0.025 0.000 2.471 512 G HA2 -0.036 3.925 3.960 0.002 0.000 0.219 512 G HA3 -0.036 3.925 3.960 0.002 0.000 0.219 512 G C 1.418 176.330 174.900 0.020 0.000 1.125 512 G CA 0.888 46.001 45.100 0.022 0.000 0.775 512 G HN 0.430 nan 8.290 nan 0.000 0.548 513 L N -0.533 120.703 121.223 0.022 0.000 2.446 513 L HA 0.291 4.632 4.340 0.002 0.000 0.219 513 L C 2.608 179.488 176.870 0.015 0.000 1.116 513 L CA 0.263 55.114 54.840 0.018 0.000 0.844 513 L CB -0.071 41.999 42.059 0.018 0.000 0.970 513 L HN 0.256 nan 8.230 nan 0.000 0.457 514 M N 0.359 119.969 119.600 0.017 0.000 2.556 514 M HA -0.012 4.470 4.480 0.002 0.000 0.264 514 M C 2.256 178.567 176.300 0.017 0.000 1.163 514 M CA 1.050 56.360 55.300 0.016 0.000 1.186 514 M CB 0.275 32.886 32.600 0.018 0.000 1.321 514 M HN 0.242 nan 8.290 nan 0.000 0.485 515 I N -1.086 119.496 120.570 0.019 0.000 2.567 515 I HA -0.147 4.025 4.170 0.002 0.000 0.257 515 I C 1.713 177.842 176.117 0.019 0.000 1.184 515 I CA 1.677 62.988 61.300 0.019 0.000 1.451 515 I CB -1.269 36.742 38.000 0.019 0.000 1.089 515 I HN 0.289 nan 8.210 nan 0.000 0.441 516 T N -1.499 113.066 114.554 0.018 0.000 3.163 516 T HA 0.009 4.360 4.350 0.002 0.000 0.260 516 T C 0.913 175.624 174.700 0.018 0.000 1.156 516 T CA 0.351 62.462 62.100 0.018 0.000 1.072 516 T CB -1.251 67.627 68.868 0.017 0.000 0.937 516 T HN 0.347 nan 8.240 nan 0.000 0.528 517 T N 2.959 117.523 114.554 0.016 0.000 2.784 517 T HA 0.165 4.517 4.350 0.002 0.000 0.291 517 T C 0.843 175.554 174.700 0.017 0.000 0.942 517 T CA -0.006 62.101 62.100 0.012 0.000 1.161 517 T CB 1.050 69.924 68.868 0.011 0.000 0.885 517 T HN 0.303 nan 8.240 nan 0.000 0.534 518 E N 1.214 121.424 120.200 0.017 0.000 2.447 518 E HA 0.204 4.555 4.350 0.002 0.000 0.204 518 E C 0.091 176.694 176.600 0.005 0.000 0.977 518 E CA 0.009 56.434 56.400 0.042 0.000 0.950 518 E CB 0.487 30.229 29.700 0.071 0.000 0.975 518 E HN 0.642 nan 8.360 nan 0.000 0.496 519 C N 0.076 119.321 119.300 -0.091 0.000 2.985 519 C HA 0.699 5.160 4.460 0.002 0.000 0.314 519 C C -1.540 173.344 174.990 -0.176 0.000 1.215 519 C CA -0.723 58.120 59.018 -0.291 0.000 1.414 519 C CB 0.562 27.964 27.740 -0.563 0.000 1.842 519 C HN 0.269 nan 8.230 nan 0.000 0.477 520 M N 4.864 124.374 119.600 -0.149 0.000 2.263 520 M HA 0.597 5.078 4.480 0.002 0.000 0.295 520 M C -1.158 175.189 176.300 0.079 0.000 1.028 520 M CA -0.475 54.836 55.300 0.018 0.000 0.921 520 M CB 2.068 34.773 32.600 0.175 0.000 1.601 520 M HN 0.390 nan 8.290 nan 0.000 0.440 521 V N 1.350 121.264 119.914 -0.001 0.000 2.656 521 V HA 0.834 4.956 4.120 0.002 0.000 0.307 521 V C -0.412 175.605 176.094 -0.128 0.000 1.051 521 V CA -0.471 61.814 62.300 -0.024 0.000 0.893 521 V CB 2.178 33.972 31.823 -0.048 0.000 0.999 521 V HN 0.909 nan 8.190 nan 0.000 0.426 522 T N 1.883 116.335 114.554 -0.169 0.000 2.885 522 T HA 0.363 4.715 4.350 0.002 0.000 0.322 522 T C -1.398 173.216 174.700 -0.144 0.000 1.387 522 T CA -0.575 61.375 62.100 -0.250 0.000 1.041 522 T CB 1.714 70.257 68.868 -0.542 0.000 1.287 522 T HN 0.694 nan 8.240 nan 0.000 0.491 523 D N 2.087 122.419 120.400 -0.113 0.000 2.400 523 D HA 0.297 4.938 4.640 0.002 0.000 0.238 523 D C 0.579 176.843 176.300 -0.059 0.000 1.157 523 D CA 0.101 54.063 54.000 -0.063 0.000 0.889 523 D CB 0.404 41.173 40.800 -0.052 0.000 1.199 523 D HN 0.437 nan 8.370 nan 0.000 0.436 524 L N 2.754 123.967 121.223 -0.017 0.000 2.499 524 L HA 0.118 4.460 4.340 0.002 0.000 0.281 524 L C -1.579 175.287 176.870 -0.006 0.000 1.234 524 L CA -1.289 53.555 54.840 0.006 0.000 0.839 524 L CB -0.179 41.892 42.059 0.020 0.000 1.104 524 L HN 0.309 nan 8.230 nan 0.000 0.500 525 P HA 0.326 nan 4.420 nan 0.000 0.268 525 P C -0.622 176.681 177.300 0.004 0.000 1.204 525 P CA 0.086 63.190 63.100 0.006 0.000 0.768 525 P CB 1.048 32.766 31.700 0.030 0.000 0.842 526 K N 0.000 120.398 120.400 -0.003 0.000 2.780 526 K HA 0.000 4.321 4.320 0.002 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543