REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1svt_1_K DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 3.050 125.866 122.820 -0.006 0.000 2.546 3 A HA 0.523 4.843 4.320 -0.000 0.000 0.243 3 A C 0.425 178.004 177.584 -0.008 0.000 1.063 3 A CA 0.338 52.374 52.037 -0.002 0.000 0.757 3 A CB 0.002 19.003 19.000 0.002 0.000 0.991 3 A HN 0.635 nan 8.150 nan 0.000 0.503 4 K N 1.339 121.736 120.400 -0.005 0.000 2.132 4 K HA 0.456 4.776 4.320 -0.000 0.000 0.241 4 K C -0.966 175.636 176.600 0.002 0.000 1.000 4 K CA -0.660 55.618 56.287 -0.015 0.000 0.911 4 K CB 1.070 33.561 32.500 -0.015 0.000 1.093 4 K HN 0.718 nan 8.250 nan 0.000 0.460 5 D N 0.660 121.062 120.400 0.002 0.000 2.408 5 D HA 0.320 4.960 4.640 -0.000 0.000 0.243 5 D C -1.400 174.972 176.300 0.120 0.000 1.075 5 D CA -0.604 53.436 54.000 0.066 0.000 0.832 5 D CB 1.297 42.144 40.800 0.079 0.000 1.162 5 D HN 0.039 nan 8.370 nan 0.000 0.515 6 V N 4.310 124.258 119.914 0.056 0.000 2.448 6 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 6 V C 0.166 176.102 176.094 -0.263 0.000 1.025 6 V CA -0.729 61.511 62.300 -0.100 0.000 0.859 6 V CB 1.725 33.435 31.823 -0.189 0.000 0.988 6 V HN 0.410 nan 8.190 nan 0.000 0.431 7 K N 3.315 123.491 120.400 -0.374 0.000 2.259 7 K HA 0.747 5.067 4.320 -0.000 0.000 0.249 7 K C -1.572 174.659 176.600 -0.615 0.000 0.942 7 K CA -0.455 55.537 56.287 -0.491 0.000 0.816 7 K CB 1.881 33.974 32.500 -0.678 0.000 1.155 7 K HN 0.488 nan 8.250 nan 0.000 0.428 8 F N 0.717 120.618 119.950 -0.083 0.000 2.546 8 F HA 0.399 4.926 4.527 -0.000 0.000 0.320 8 F C 1.211 176.977 175.800 -0.057 0.000 1.076 8 F CA 0.172 58.141 58.000 -0.050 0.000 0.928 8 F CB 2.024 41.006 39.000 -0.030 0.000 1.189 8 F HN 0.829 nan 8.300 nan 0.000 0.465 9 G N 2.378 111.293 108.800 0.191 0.000 2.646 9 G HA2 -0.496 3.464 3.960 -0.000 0.000 0.324 9 G HA3 -0.496 3.464 3.960 -0.000 0.000 0.324 9 G C 1.067 175.987 174.900 0.034 0.000 1.195 9 G CA 1.266 46.422 45.100 0.095 0.000 0.976 9 G HN 0.702 nan 8.290 nan 0.000 0.546 10 N N 1.168 119.882 118.700 0.023 0.000 2.039 10 N HA -0.046 4.694 4.740 -0.000 0.000 0.193 10 N C 1.892 177.383 175.510 -0.031 0.000 1.044 10 N CA 2.263 55.311 53.050 -0.002 0.000 0.847 10 N CB -0.336 38.150 38.487 -0.003 0.000 1.030 10 N HN 0.568 nan 8.380 nan 0.000 0.422 11 D N 0.277 120.651 120.400 -0.045 0.000 2.116 11 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 11 D C 1.827 178.030 176.300 -0.163 0.000 0.998 11 D CA 1.431 55.370 54.000 -0.102 0.000 0.836 11 D CB -0.881 39.846 40.800 -0.121 0.000 0.951 11 D HN 0.388 nan 8.370 nan 0.000 0.449 12 A N 0.848 123.567 122.820 -0.169 0.000 1.927 12 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 12 A C 2.208 179.728 177.584 -0.105 0.000 1.185 12 A CA 1.904 53.824 52.037 -0.195 0.000 0.639 12 A CB -0.491 18.436 19.000 -0.122 0.000 0.820 12 A HN 0.163 nan 8.150 nan 0.000 0.451 13 R N -1.393 119.074 120.500 -0.056 0.000 2.066 13 R HA 0.043 4.383 4.340 -0.000 0.000 0.224 13 R C 2.105 178.389 176.300 -0.026 0.000 1.122 13 R CA 1.031 57.117 56.100 -0.024 0.000 0.974 13 R CB -0.573 29.722 30.300 -0.009 0.000 0.871 13 R HN 0.344 nan 8.270 nan 0.000 0.435 14 V N 1.924 121.816 119.914 -0.036 0.000 2.317 14 V HA -0.320 3.800 4.120 -0.000 0.000 0.251 14 V C 2.133 178.210 176.094 -0.029 0.000 1.065 14 V CA 1.776 64.058 62.300 -0.030 0.000 1.049 14 V CB -0.352 31.451 31.823 -0.034 0.000 0.651 14 V HN 0.200 nan 8.190 nan 0.000 0.450 15 K N -0.785 119.581 120.400 -0.055 0.000 2.002 15 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 15 K C 2.059 178.670 176.600 0.019 0.000 1.048 15 K CA 1.603 57.875 56.287 -0.025 0.000 0.930 15 K CB -0.721 31.738 32.500 -0.068 0.000 0.714 15 K HN 0.382 nan 8.250 nan 0.000 0.438 16 M N 0.048 119.657 119.600 0.016 0.000 2.202 16 M HA -0.191 4.289 4.480 -0.000 0.000 0.262 16 M C 1.865 178.178 176.300 0.022 0.000 1.063 16 M CA 1.080 56.400 55.300 0.032 0.000 1.097 16 M CB -0.116 32.500 32.600 0.027 0.000 1.382 16 M HN 0.069 nan 8.290 nan 0.000 0.413 17 L N 0.400 121.630 121.223 0.011 0.000 2.005 17 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 17 L C 2.322 179.199 176.870 0.011 0.000 1.072 17 L CA 1.855 56.700 54.840 0.010 0.000 0.744 17 L CB -0.671 41.391 42.059 0.004 0.000 0.895 17 L HN 0.180 nan 8.230 nan 0.000 0.433 18 R N -0.297 120.209 120.500 0.011 0.000 2.117 18 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 18 R C 2.145 178.455 176.300 0.017 0.000 1.143 18 R CA 1.267 57.374 56.100 0.013 0.000 0.968 18 R CB -1.260 29.048 30.300 0.014 0.000 0.863 18 R HN 0.601 nan 8.270 nan 0.000 0.444 19 G N 0.922 109.737 108.800 0.024 0.000 2.480 19 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 19 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 19 G C 1.444 176.354 174.900 0.018 0.000 1.200 19 G CA 0.905 46.020 45.100 0.026 0.000 0.782 19 G HN 0.284 nan 8.290 nan 0.000 0.554 20 V N 1.112 121.036 119.914 0.017 0.000 2.358 20 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 20 V C 2.316 178.416 176.094 0.010 0.000 1.047 20 V CA 2.729 65.037 62.300 0.013 0.000 1.035 20 V CB -0.843 30.988 31.823 0.014 0.000 0.658 20 V HN 0.513 nan 8.190 nan 0.000 0.452 21 N N -0.384 118.322 118.700 0.010 0.000 2.091 21 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 21 N C 1.755 177.269 175.510 0.007 0.000 1.021 21 N CA 1.809 54.863 53.050 0.008 0.000 0.862 21 N CB -0.281 38.210 38.487 0.007 0.000 1.018 21 N HN 0.453 nan 8.380 nan 0.000 0.429 22 V N 1.473 121.392 119.914 0.008 0.000 2.261 22 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 22 V C 2.195 178.292 176.094 0.004 0.000 1.047 22 V CA 1.244 63.547 62.300 0.006 0.000 1.015 22 V CB -0.560 31.267 31.823 0.007 0.000 0.642 22 V HN 0.418 nan 8.190 nan 0.000 0.446 23 L N 0.247 121.473 121.223 0.004 0.000 2.012 23 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 23 L C 2.458 179.328 176.870 0.000 0.000 1.073 23 L CA 2.601 57.442 54.840 0.001 0.000 0.748 23 L CB -0.749 41.311 42.059 0.000 0.000 0.891 23 L HN 0.391 nan 8.230 nan 0.000 0.431 24 A N -0.807 122.015 122.820 0.002 0.000 1.968 24 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 24 A C 1.766 179.351 177.584 0.002 0.000 1.169 24 A CA 1.500 53.539 52.037 0.002 0.000 0.638 24 A CB -0.443 18.560 19.000 0.004 0.000 0.812 24 A HN 0.474 nan 8.150 nan 0.000 0.446 25 D N -0.093 120.309 120.400 0.002 0.000 2.269 25 D HA 0.074 4.714 4.640 -0.000 0.000 0.208 25 D C 2.019 178.320 176.300 0.001 0.000 0.963 25 D CA 1.175 55.176 54.000 0.002 0.000 0.864 25 D CB -0.082 40.719 40.800 0.003 0.000 0.936 25 D HN 0.435 nan 8.370 nan 0.000 0.505 26 A N 0.103 122.923 122.820 0.000 0.000 1.903 26 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 26 A C 2.254 179.837 177.584 -0.002 0.000 1.185 26 A CA 0.579 52.615 52.037 -0.001 0.000 0.628 26 A CB -0.462 18.537 19.000 -0.001 0.000 0.830 26 A HN 0.161 nan 8.150 nan 0.000 0.446 27 V N 1.182 121.095 119.914 -0.002 0.000 2.649 27 V HA -0.134 3.985 4.120 -0.000 0.000 0.248 27 V C 2.387 178.480 176.094 -0.003 0.000 1.054 27 V CA 2.177 64.475 62.300 -0.004 0.000 1.073 27 V CB -0.450 31.369 31.823 -0.006 0.000 0.699 27 V HN 0.765 nan 8.190 nan 0.000 0.463 28 K N 0.737 121.136 120.400 -0.001 0.000 2.442 28 K HA -0.047 4.273 4.320 -0.000 0.000 0.198 28 K C 1.438 178.038 176.600 0.001 0.000 1.042 28 K CA 1.694 57.981 56.287 0.000 0.000 0.958 28 K CB -0.401 32.100 32.500 0.002 0.000 0.766 28 K HN 0.532 nan 8.250 nan 0.000 0.474 29 V N -0.577 119.337 119.914 0.000 0.000 3.573 29 V HA 0.008 4.128 4.120 -0.000 0.000 0.270 29 V C 1.556 177.650 176.094 -0.000 0.000 1.221 29 V CA 1.035 63.335 62.300 0.000 0.000 1.163 29 V CB -0.738 31.085 31.823 0.000 0.000 0.847 29 V HN 0.475 nan 8.190 nan 0.000 0.468 30 T N -3.608 110.945 114.554 -0.001 0.000 3.054 30 T HA 0.216 4.566 4.350 -0.000 0.000 0.255 30 T C 1.403 176.101 174.700 -0.003 0.000 1.035 30 T CA 0.368 62.466 62.100 -0.003 0.000 0.941 30 T CB 0.499 69.364 68.868 -0.005 0.000 1.026 30 T HN 0.285 nan 8.240 nan 0.000 0.533 31 L N 3.023 124.245 121.223 -0.001 0.000 1.989 31 L HA 0.290 4.630 4.340 -0.000 0.000 0.211 31 L C 1.717 178.586 176.870 -0.002 0.000 1.071 31 L CA 1.563 56.402 54.840 -0.001 0.000 0.749 31 L CB -1.449 40.611 42.059 0.002 0.000 0.890 31 L HN 0.441 nan 8.230 nan 0.000 0.431 32 G N -0.626 108.174 108.800 0.001 0.000 2.883 32 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.309 32 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.309 32 G C -1.509 173.385 174.900 -0.010 0.000 1.278 32 G CA 0.253 45.353 45.100 -0.001 0.000 1.103 32 G HN 0.445 nan 8.290 nan 0.000 0.676 33 P HA 0.105 nan 4.420 nan 0.000 0.236 33 P C 0.348 177.637 177.300 -0.018 0.000 1.177 33 P CA 0.887 63.974 63.100 -0.022 0.000 0.773 33 P CB 0.499 32.177 31.700 -0.036 0.000 0.878 34 K N 0.932 121.325 120.400 -0.012 0.000 2.800 34 K HA 0.358 4.678 4.320 -0.000 0.000 0.185 34 K C 0.673 177.272 176.600 -0.002 0.000 1.082 34 K CA -0.356 55.927 56.287 -0.007 0.000 0.978 34 K CB 1.092 33.589 32.500 -0.006 0.000 1.364 34 K HN -0.002 nan 8.250 nan 0.000 0.592 35 G N 1.122 109.920 108.800 -0.004 0.000 2.667 35 G HA2 0.144 4.104 3.960 -0.000 0.000 0.250 35 G HA3 0.144 4.104 3.960 -0.000 0.000 0.250 35 G C 0.177 175.076 174.900 -0.001 0.000 1.212 35 G CA -0.448 44.651 45.100 -0.002 0.000 0.874 35 G HN 0.231 nan 8.290 nan 0.000 0.561 36 R N -0.262 120.238 120.500 -0.001 0.000 2.608 36 R HA 0.342 4.682 4.340 -0.000 0.000 0.255 36 R C 0.044 176.344 176.300 -0.001 0.000 1.086 36 R CA -0.941 55.159 56.100 -0.000 0.000 1.125 36 R CB 0.363 30.663 30.300 0.000 0.000 1.193 36 R HN 0.535 nan 8.270 nan 0.000 0.553 37 N N -0.229 118.470 118.700 -0.001 0.000 2.487 37 N HA 0.317 5.057 4.740 -0.000 0.000 0.292 37 N C -0.866 174.643 175.510 -0.001 0.000 1.108 37 N CA -0.377 52.673 53.050 -0.001 0.000 0.956 37 N CB 1.897 40.383 38.487 -0.001 0.000 1.176 37 N HN 0.061 nan 8.380 nan 0.000 0.484 38 V N 1.754 121.668 119.914 -0.001 0.000 2.540 38 V HA 0.313 4.433 4.120 -0.000 0.000 0.302 38 V C -0.042 176.051 176.094 -0.001 0.000 1.035 38 V CA -0.825 61.474 62.300 -0.001 0.000 0.873 38 V CB 2.085 33.907 31.823 -0.002 0.000 0.992 38 V HN 0.297 nan 8.190 nan 0.000 0.428 39 V N 6.138 126.052 119.914 -0.000 0.000 2.439 39 V HA 0.462 4.582 4.120 -0.000 0.000 0.282 39 V C -0.518 175.577 176.094 0.001 0.000 1.039 39 V CA -0.493 61.807 62.300 0.001 0.000 0.913 39 V CB 1.473 33.296 31.823 0.000 0.000 0.983 39 V HN 0.535 nan 8.190 nan 0.000 0.460 40 L N 4.265 125.490 121.223 0.003 0.000 2.377 40 L HA 0.487 4.827 4.340 -0.000 0.000 0.270 40 L C -0.067 176.807 176.870 0.006 0.000 0.991 40 L CA -0.241 54.601 54.840 0.003 0.000 0.851 40 L CB 1.146 43.207 42.059 0.003 0.000 1.218 40 L HN 0.611 nan 8.230 nan 0.000 0.420 41 D N 3.396 123.800 120.400 0.006 0.000 2.364 41 D HA 0.200 4.840 4.640 -0.000 0.000 0.236 41 D C -0.083 176.226 176.300 0.016 0.000 1.221 41 D CA 0.601 54.606 54.000 0.008 0.000 0.891 41 D CB 0.754 41.555 40.800 0.003 0.000 1.190 41 D HN 0.452 nan 8.370 nan 0.000 0.449 42 K N 0.088 120.502 120.400 0.024 0.000 2.575 42 K HA 0.276 4.596 4.320 -0.000 0.000 0.279 42 K C 0.007 176.641 176.600 0.058 0.000 0.969 42 K CA -0.528 55.785 56.287 0.044 0.000 0.868 42 K CB 1.121 33.650 32.500 0.047 0.000 1.457 42 K HN 0.383 nan 8.250 nan 0.000 0.426 43 S N 0.980 116.745 115.700 0.109 0.000 2.321 43 S HA 0.142 4.612 4.470 -0.000 0.000 0.188 43 S C 0.489 175.138 174.600 0.082 0.000 1.080 43 S CA 0.211 58.460 58.200 0.082 0.000 1.198 43 S CB -0.656 62.635 63.200 0.151 0.000 0.926 43 S HN 0.448 nan 8.310 nan 0.000 0.426 44 F N 3.192 123.139 119.950 -0.004 0.000 2.608 44 F HA 0.464 4.991 4.527 -0.000 0.000 0.380 44 F C 1.571 177.369 175.800 -0.004 0.000 1.083 44 F CA 0.543 58.541 58.000 -0.004 0.000 1.266 44 F CB -1.204 37.794 39.000 -0.004 0.000 1.076 44 F HN 0.778 nan 8.300 nan 0.000 0.574 45 G N 0.932 109.815 108.800 0.138 0.000 2.725 45 G HA2 0.244 4.204 3.960 -0.000 0.000 0.220 45 G HA3 0.244 4.204 3.960 -0.000 0.000 0.220 45 G C -0.621 174.306 174.900 0.046 0.000 1.357 45 G CA -0.761 44.388 45.100 0.081 0.000 0.866 45 G HN 1.165 nan 8.290 nan 0.000 0.548 46 A N 1.072 123.913 122.820 0.034 0.000 2.304 46 A HA 0.818 5.138 4.320 -0.000 0.000 0.271 46 A C -0.801 176.795 177.584 0.021 0.000 1.091 46 A CA -0.109 51.940 52.037 0.021 0.000 0.812 46 A CB 0.024 19.034 19.000 0.016 0.000 1.056 46 A HN 0.951 nan 8.150 nan 0.000 0.489 47 P HA 0.232 nan 4.420 nan 0.000 0.273 47 P C -0.406 176.901 177.300 0.012 0.000 1.250 47 P CA 0.012 63.119 63.100 0.012 0.000 0.793 47 P CB 0.387 32.091 31.700 0.006 0.000 1.011 48 T N 1.088 115.648 114.554 0.010 0.000 2.797 48 T HA 0.491 4.841 4.350 -0.000 0.000 0.279 48 T C 0.168 174.871 174.700 0.005 0.000 0.991 48 T CA -0.395 61.709 62.100 0.008 0.000 0.979 48 T CB 0.160 69.033 68.868 0.008 0.000 0.943 48 T HN 0.168 nan 8.240 nan 0.000 0.444 49 I N 2.867 123.439 120.570 0.003 0.000 2.336 49 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 49 I C 0.477 176.595 176.117 0.000 0.000 0.991 49 I CA -0.514 60.787 61.300 0.002 0.000 1.227 49 I CB 1.552 39.553 38.000 0.001 0.000 1.366 49 I HN 0.468 nan 8.210 nan 0.000 0.466 50 T N 4.418 118.972 114.554 -0.001 0.000 2.900 50 T HA 0.345 4.694 4.350 -0.000 0.000 0.303 50 T C -0.134 174.564 174.700 -0.003 0.000 1.142 50 T CA -0.506 61.593 62.100 -0.002 0.000 1.007 50 T CB 1.960 70.827 68.868 -0.002 0.000 1.156 50 T HN 0.684 nan 8.240 nan 0.000 0.490 51 K N 1.518 121.915 120.400 -0.004 0.000 2.506 51 K HA 0.286 4.606 4.320 -0.000 0.000 0.204 51 K C -0.835 175.761 176.600 -0.006 0.000 1.045 51 K CA -0.167 56.117 56.287 -0.005 0.000 1.074 51 K CB 0.465 32.962 32.500 -0.005 0.000 0.842 51 K HN 0.492 nan 8.250 nan 0.000 0.514 52 D N -1.032 119.364 120.400 -0.007 0.000 2.461 52 D HA 0.209 4.849 4.640 -0.000 0.000 0.240 52 D C 1.172 177.466 176.300 -0.011 0.000 1.094 52 D CA -0.503 53.492 54.000 -0.009 0.000 0.868 52 D CB 1.264 42.058 40.800 -0.010 0.000 1.062 52 D HN 0.101 nan 8.370 nan 0.000 0.530 53 G N 2.209 111.002 108.800 -0.012 0.000 2.556 53 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 53 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 53 G C 1.476 176.367 174.900 -0.016 0.000 1.156 53 G CA 1.141 46.233 45.100 -0.013 0.000 0.766 53 G HN 0.480 nan 8.290 nan 0.000 0.583 54 V N 0.488 120.391 119.914 -0.020 0.000 2.392 54 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 54 V C 3.045 179.127 176.094 -0.020 0.000 1.059 54 V CA 2.235 64.521 62.300 -0.024 0.000 1.051 54 V CB -0.423 31.383 31.823 -0.028 0.000 0.658 54 V HN 0.390 nan 8.190 nan 0.000 0.455 55 S N -0.709 114.982 115.700 -0.015 0.000 2.387 55 S HA -0.107 4.363 4.470 -0.000 0.000 0.226 55 S C 1.960 176.554 174.600 -0.010 0.000 1.026 55 S CA 1.189 59.382 58.200 -0.012 0.000 0.972 55 S CB 0.033 63.228 63.200 -0.009 0.000 0.814 55 S HN 0.368 nan 8.310 nan 0.000 0.477 56 V N 1.962 121.871 119.914 -0.009 0.000 2.237 56 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 56 V C 2.661 178.749 176.094 -0.009 0.000 1.046 56 V CA 1.842 64.138 62.300 -0.008 0.000 1.007 56 V CB -1.241 30.578 31.823 -0.007 0.000 0.638 56 V HN 0.529 nan 8.190 nan 0.000 0.445 57 A N 0.192 123.005 122.820 -0.012 0.000 1.873 57 A HA -0.349 3.971 4.320 -0.000 0.000 0.218 57 A C 2.344 179.919 177.584 -0.016 0.000 1.193 57 A CA 2.587 54.615 52.037 -0.015 0.000 0.629 57 A CB -0.780 18.209 19.000 -0.019 0.000 0.826 57 A HN 0.524 nan 8.150 nan 0.000 0.447 58 R N -0.696 119.793 120.500 -0.017 0.000 2.178 58 R HA -0.268 4.072 4.340 -0.000 0.000 0.257 58 R C 1.815 178.107 176.300 -0.013 0.000 1.163 58 R CA 2.211 58.301 56.100 -0.017 0.000 0.981 58 R CB -0.230 30.060 30.300 -0.017 0.000 0.878 58 R HN 0.501 nan 8.270 nan 0.000 0.454 59 E N -0.185 120.009 120.200 -0.010 0.000 2.230 59 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 59 E C -0.060 176.536 176.600 -0.006 0.000 0.987 59 E CA 0.183 56.580 56.400 -0.006 0.000 0.841 59 E CB 0.198 29.896 29.700 -0.003 0.000 0.783 59 E HN 0.219 nan 8.360 nan 0.000 0.481 60 I N 1.997 122.562 120.570 -0.008 0.000 2.598 60 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 60 I C 0.196 176.308 176.117 -0.008 0.000 1.140 60 I CA 0.589 61.886 61.300 -0.006 0.000 1.420 60 I CB 0.084 38.081 38.000 -0.006 0.000 1.387 60 I HN 0.070 nan 8.210 nan 0.000 0.553 61 E N 7.050 127.246 120.200 -0.006 0.000 2.415 61 E HA 0.385 4.735 4.350 -0.000 0.000 0.302 61 E C -1.649 174.947 176.600 -0.006 0.000 0.907 61 E CA -0.489 55.906 56.400 -0.008 0.000 0.798 61 E CB 1.543 31.236 29.700 -0.011 0.000 1.315 61 E HN 0.446 nan 8.360 nan 0.000 0.396 62 L N 2.864 124.085 121.223 -0.005 0.000 2.387 62 L HA 0.404 4.744 4.340 -0.000 0.000 0.266 62 L C 1.635 178.502 176.870 -0.004 0.000 1.059 62 L CA -0.394 54.446 54.840 -0.000 0.000 0.801 62 L CB 1.065 43.129 42.059 0.009 0.000 1.223 62 L HN 0.696 nan 8.230 nan 0.000 0.456 63 E N 0.320 120.520 120.200 0.001 0.000 2.051 63 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 63 E C 0.328 176.925 176.600 -0.005 0.000 0.979 63 E CA 0.344 56.742 56.400 -0.004 0.000 0.803 63 E CB 0.280 29.980 29.700 0.000 0.000 0.761 63 E HN 0.652 nan 8.360 nan 0.000 0.451 64 D N 1.800 122.208 120.400 0.013 0.000 2.342 64 D HA -0.004 4.636 4.640 -0.000 0.000 0.260 64 D C -0.680 175.632 176.300 0.019 0.000 1.278 64 D CA 0.032 54.052 54.000 0.033 0.000 0.910 64 D CB 0.376 41.216 40.800 0.068 0.000 1.079 64 D HN 0.071 nan 8.370 nan 0.000 0.496 65 K N 2.821 123.183 120.400 -0.062 0.000 2.339 65 K HA 0.088 4.407 4.320 -0.000 0.000 0.260 65 K C 0.529 177.071 176.600 -0.096 0.000 0.989 65 K CA -0.379 55.805 56.287 -0.170 0.000 0.888 65 K CB 0.484 32.789 32.500 -0.325 0.000 0.983 65 K HN 0.340 nan 8.250 nan 0.000 0.515 66 F N -1.544 118.392 119.950 -0.023 0.000 2.525 66 F HA -0.367 4.159 4.527 -0.000 0.000 0.755 66 F C 2.011 177.800 175.800 -0.018 0.000 0.485 66 F CA 1.690 59.675 58.000 -0.025 0.000 0.762 66 F CB -1.557 37.426 39.000 -0.028 0.000 1.609 66 F HN 0.790 nan 8.300 nan 0.000 0.279 67 E N 0.274 120.605 120.200 0.218 0.000 2.136 67 E HA -0.342 4.008 4.350 -0.000 0.000 0.208 67 E C 1.635 178.273 176.600 0.065 0.000 1.035 67 E CA 2.033 58.495 56.400 0.104 0.000 0.838 67 E CB -0.360 29.390 29.700 0.083 0.000 0.748 67 E HN 0.464 nan 8.360 nan 0.000 0.459 68 N N -0.108 118.618 118.700 0.043 0.000 2.018 68 N HA -0.186 4.554 4.740 -0.000 0.000 0.196 68 N C 1.795 177.312 175.510 0.012 0.000 1.043 68 N CA 1.762 54.818 53.050 0.010 0.000 0.856 68 N CB -0.096 38.379 38.487 -0.020 0.000 1.042 68 N HN 0.119 nan 8.380 nan 0.000 0.423 69 M N -0.543 119.066 119.600 0.015 0.000 2.089 69 M HA -0.148 4.332 4.480 -0.000 0.000 0.257 69 M C 2.255 178.572 176.300 0.028 0.000 1.071 69 M CA 1.893 57.202 55.300 0.017 0.000 1.096 69 M CB -1.078 31.542 32.600 0.035 0.000 1.330 69 M HN 0.359 nan 8.290 nan 0.000 0.403 70 G N -0.099 108.729 108.800 0.046 0.000 2.505 70 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 70 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 70 G C 1.581 176.494 174.900 0.022 0.000 1.145 70 G CA 1.416 46.538 45.100 0.037 0.000 0.761 70 G HN 0.582 nan 8.290 nan 0.000 0.571 71 A N -0.301 122.529 122.820 0.017 0.000 1.855 71 A HA 0.047 4.367 4.320 -0.000 0.000 0.213 71 A C 2.364 179.948 177.584 0.001 0.000 1.195 71 A CA 1.656 53.698 52.037 0.008 0.000 0.610 71 A CB -0.391 18.613 19.000 0.006 0.000 0.837 71 A HN 0.266 nan 8.150 nan 0.000 0.444 72 Q N -0.567 119.233 119.800 -0.002 0.000 2.248 72 Q HA -0.208 4.132 4.340 -0.000 0.000 0.208 72 Q C 1.999 177.994 176.000 -0.008 0.000 0.984 72 Q CA 1.700 57.498 55.803 -0.009 0.000 0.875 72 Q CB -0.522 28.209 28.738 -0.012 0.000 0.910 72 Q HN 0.763 nan 8.270 nan 0.000 0.433 73 M N -0.782 118.818 119.600 0.001 0.000 2.134 73 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 73 M C 2.270 178.569 176.300 -0.002 0.000 1.076 73 M CA 0.893 56.195 55.300 0.003 0.000 1.143 73 M CB -0.120 32.488 32.600 0.014 0.000 1.346 73 M HN -0.060 nan 8.290 nan 0.000 0.421 74 V N 0.650 120.565 119.914 0.002 0.000 2.332 74 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 74 V C 2.174 178.257 176.094 -0.019 0.000 1.055 74 V CA 1.781 64.080 62.300 -0.002 0.000 1.038 74 V CB -0.705 31.120 31.823 0.003 0.000 0.651 74 V HN 0.433 nan 8.190 nan 0.000 0.450 75 K N -0.376 120.011 120.400 -0.021 0.000 2.074 75 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 75 K C 2.279 178.848 176.600 -0.052 0.000 1.048 75 K CA 1.924 58.191 56.287 -0.033 0.000 0.926 75 K CB -0.196 32.288 32.500 -0.027 0.000 0.713 75 K HN 0.518 nan 8.250 nan 0.000 0.444 76 E N 0.465 120.636 120.200 -0.048 0.000 2.106 76 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 76 E C 1.995 178.526 176.600 -0.115 0.000 0.984 76 E CA 0.758 57.118 56.400 -0.066 0.000 0.806 76 E CB 0.232 29.906 29.700 -0.044 0.000 0.750 76 E HN 0.047 nan 8.360 nan 0.000 0.458 77 V N 1.015 120.867 119.914 -0.103 0.000 2.270 77 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 77 V C 2.407 178.336 176.094 -0.275 0.000 1.043 77 V CA 1.895 64.101 62.300 -0.157 0.000 1.014 77 V CB -0.553 31.261 31.823 -0.015 0.000 0.645 77 V HN 0.395 nan 8.190 nan 0.000 0.447 78 A N -0.839 121.895 122.820 -0.142 0.000 1.933 78 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 78 A C 2.560 180.045 177.584 -0.165 0.000 1.175 78 A CA 2.277 54.240 52.037 -0.123 0.000 0.628 78 A CB -0.860 18.106 19.000 -0.056 0.000 0.814 78 A HN 0.545 nan 8.150 nan 0.000 0.444 79 S N -0.328 115.280 115.700 -0.153 0.000 2.359 79 S HA -0.260 4.210 4.470 -0.000 0.000 0.224 79 S C 2.043 176.525 174.600 -0.198 0.000 1.035 79 S CA 2.042 60.156 58.200 -0.143 0.000 1.018 79 S CB -0.378 62.759 63.200 -0.104 0.000 0.876 79 S HN 0.573 nan 8.310 nan 0.000 0.448 80 K N 0.539 120.756 120.400 -0.306 0.000 2.160 80 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 80 K C 2.268 178.597 176.600 -0.452 0.000 1.047 80 K CA 1.113 57.152 56.287 -0.413 0.000 0.930 80 K CB -0.469 31.654 32.500 -0.628 0.000 0.720 80 K HN 0.516 nan 8.250 nan 0.000 0.450 81 A N 1.536 124.064 122.820 -0.485 0.000 1.883 81 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 81 A C 1.964 179.522 177.584 -0.044 0.000 1.186 81 A CA 1.730 53.703 52.037 -0.107 0.000 0.624 81 A CB -0.603 18.393 19.000 -0.006 0.000 0.822 81 A HN 0.319 nan 8.150 nan 0.000 0.444 82 N N 0.058 118.700 118.700 -0.098 0.000 2.244 82 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 82 N C 0.678 176.134 175.510 -0.091 0.000 1.016 82 N CA 1.433 54.428 53.050 -0.092 0.000 0.866 82 N CB -0.266 38.161 38.487 -0.099 0.000 0.980 82 N HN 0.401 nan 8.380 nan 0.000 0.430 83 D N 0.200 120.554 120.400 -0.076 0.000 2.264 83 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 83 D C 0.452 176.761 176.300 0.014 0.000 0.966 83 D CA 0.530 54.509 54.000 -0.035 0.000 0.864 83 D CB -0.025 40.752 40.800 -0.039 0.000 0.933 83 D HN 0.246 nan 8.370 nan 0.000 0.499 84 A N -0.743 122.096 122.820 0.030 0.000 3.219 84 A HA 0.739 5.059 4.320 -0.000 0.000 0.314 84 A C 0.642 178.271 177.584 0.076 0.000 1.081 84 A CA 0.398 52.485 52.037 0.084 0.000 0.995 84 A CB 0.225 19.325 19.000 0.167 0.000 1.067 84 A HN 0.107 nan 8.150 nan 0.000 0.533 85 A N -1.015 121.836 122.820 0.052 0.000 3.557 85 A HA 0.451 4.771 4.320 -0.000 0.000 0.112 85 A C 1.343 178.915 177.584 -0.020 0.000 1.301 85 A CA 0.899 52.958 52.037 0.035 0.000 1.202 85 A CB -0.997 18.018 19.000 0.025 0.000 0.861 85 A HN 2.138 nan 8.150 nan 0.000 0.409 86 G N -0.572 108.138 108.800 -0.150 0.000 2.234 86 G HA2 0.246 4.206 3.960 -0.000 0.000 0.153 86 G HA3 0.246 4.206 3.960 -0.000 0.000 0.153 86 G C -0.424 174.356 174.900 -0.200 0.000 1.013 86 G CA 1.035 45.915 45.100 -0.367 0.000 0.712 86 G HN 1.123 nan 8.290 nan 0.000 0.491 87 D N -2.156 118.180 120.400 -0.106 0.000 2.792 87 D HA 0.501 5.141 4.640 -0.000 0.000 0.335 87 D C 0.969 177.245 176.300 -0.041 0.000 1.353 87 D CA 0.445 54.405 54.000 -0.066 0.000 0.839 87 D CB 0.913 41.690 40.800 -0.039 0.000 1.396 87 D HN 1.176 nan 8.370 nan 0.000 0.479 88 G N -0.430 108.354 108.800 -0.026 0.000 2.213 88 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.226 88 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.226 88 G C 1.110 176.002 174.900 -0.013 0.000 0.992 88 G CA 0.988 46.083 45.100 -0.009 0.000 0.632 88 G HN 0.505 nan 8.290 nan 0.000 0.511 89 T N 1.401 115.936 114.554 -0.032 0.000 2.624 89 T HA -0.264 4.086 4.350 -0.000 0.000 0.266 89 T C 2.496 177.183 174.700 -0.023 0.000 1.050 89 T CA 2.939 65.016 62.100 -0.038 0.000 1.163 89 T CB -0.666 68.174 68.868 -0.047 0.000 0.861 89 T HN 0.606 nan 8.240 nan 0.000 0.443 90 T N 1.464 116.007 114.554 -0.018 0.000 2.777 90 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 90 T C 2.304 177.003 174.700 -0.002 0.000 1.040 90 T CA 1.614 63.708 62.100 -0.010 0.000 1.141 90 T CB -0.761 68.101 68.868 -0.009 0.000 0.868 90 T HN 0.451 nan 8.240 nan 0.000 0.444 91 T N 2.507 117.062 114.554 0.001 0.000 2.622 91 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 91 T C 2.449 177.158 174.700 0.016 0.000 1.047 91 T CA 1.348 63.453 62.100 0.009 0.000 1.159 91 T CB -0.894 67.981 68.868 0.012 0.000 0.863 91 T HN 0.441 nan 8.240 nan 0.000 0.422 92 A N 1.627 124.459 122.820 0.021 0.000 1.906 92 A HA -0.302 4.018 4.320 -0.000 0.000 0.222 92 A C 2.553 180.150 177.584 0.021 0.000 1.282 92 A CA 2.890 54.946 52.037 0.030 0.000 0.675 92 A CB -1.687 17.325 19.000 0.020 0.000 0.838 92 A HN 0.536 nan 8.150 nan 0.000 0.469 93 T N -0.518 114.039 114.554 0.006 0.000 2.684 93 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 93 T C 1.877 176.582 174.700 0.008 0.000 1.036 93 T CA 1.711 63.813 62.100 0.004 0.000 1.148 93 T CB -0.593 68.272 68.868 -0.004 0.000 0.863 93 T HN 0.211 nan 8.240 nan 0.000 0.436 94 V N 1.336 121.255 119.914 0.008 0.000 2.407 94 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 94 V C 2.437 178.539 176.094 0.013 0.000 1.055 94 V CA 1.414 63.720 62.300 0.009 0.000 1.049 94 V CB -0.710 31.118 31.823 0.008 0.000 0.662 94 V HN 0.402 nan 8.190 nan 0.000 0.455 95 L N -0.099 121.134 121.223 0.017 0.000 2.072 95 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 95 L C 2.714 179.597 176.870 0.022 0.000 1.079 95 L CA 1.364 56.217 54.840 0.020 0.000 0.752 95 L CB -0.692 41.383 42.059 0.026 0.000 0.906 95 L HN 0.325 nan 8.230 nan 0.000 0.436 96 A N -0.548 122.287 122.820 0.024 0.000 1.902 96 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 96 A C 2.248 179.844 177.584 0.019 0.000 1.181 96 A CA 1.806 53.858 52.037 0.026 0.000 0.623 96 A CB -0.630 18.387 19.000 0.028 0.000 0.818 96 A HN 0.500 nan 8.150 nan 0.000 0.443 97 Q N -0.600 119.209 119.800 0.015 0.000 2.297 97 Q HA -0.125 4.215 4.340 -0.000 0.000 0.208 97 Q C 1.960 177.967 176.000 0.012 0.000 0.981 97 Q CA 1.404 57.215 55.803 0.012 0.000 0.876 97 Q CB -0.252 28.492 28.738 0.010 0.000 0.921 97 Q HN 0.628 nan 8.270 nan 0.000 0.446 98 A N 0.228 123.056 122.820 0.013 0.000 1.943 98 A HA 0.014 4.334 4.320 -0.000 0.000 0.213 98 A C 1.852 179.442 177.584 0.012 0.000 1.181 98 A CA 0.477 52.521 52.037 0.011 0.000 0.653 98 A CB -0.213 18.794 19.000 0.012 0.000 0.833 98 A HN 0.390 nan 8.150 nan 0.000 0.451 99 I N 0.087 120.665 120.570 0.014 0.000 2.141 99 I HA -0.203 3.967 4.170 -0.000 0.000 0.236 99 I C 2.237 178.362 176.117 0.013 0.000 1.071 99 I CA 1.252 62.561 61.300 0.014 0.000 1.345 99 I CB -0.581 37.428 38.000 0.016 0.000 1.066 99 I HN 0.236 nan 8.210 nan 0.000 0.406 100 I N 0.676 121.254 120.570 0.015 0.000 2.143 100 I HA -0.379 3.791 4.170 -0.000 0.000 0.245 100 I C 2.632 178.755 176.117 0.011 0.000 1.068 100 I CA 1.919 63.227 61.300 0.014 0.000 1.326 100 I CB -1.067 36.942 38.000 0.015 0.000 1.028 100 I HN 0.310 nan 8.210 nan 0.000 0.412 101 T N -0.054 114.506 114.554 0.010 0.000 2.788 101 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 101 T C 1.829 176.533 174.700 0.006 0.000 1.044 101 T CA 1.342 63.446 62.100 0.008 0.000 1.139 101 T CB -0.081 68.791 68.868 0.007 0.000 0.867 101 T HN 0.319 nan 8.240 nan 0.000 0.454 102 E N 0.039 120.244 120.200 0.007 0.000 2.140 102 E HA 0.130 4.480 4.350 -0.000 0.000 0.191 102 E C 2.442 179.046 176.600 0.006 0.000 0.973 102 E CA 0.630 57.034 56.400 0.006 0.000 0.829 102 E CB -0.662 29.041 29.700 0.006 0.000 0.781 102 E HN 0.506 nan 8.360 nan 0.000 0.466 103 G N 1.722 110.526 108.800 0.008 0.000 2.453 103 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.215 103 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.215 103 G C 1.529 176.433 174.900 0.007 0.000 1.201 103 G CA 0.500 45.604 45.100 0.008 0.000 0.784 103 G HN 0.156 nan 8.290 nan 0.000 0.545 104 L N 0.891 122.119 121.223 0.008 0.000 2.127 104 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 104 L C 2.662 179.534 176.870 0.004 0.000 1.089 104 L CA 1.847 56.691 54.840 0.006 0.000 0.757 104 L CB -0.625 41.438 42.059 0.006 0.000 0.899 104 L HN 0.299 nan 8.230 nan 0.000 0.434 105 K N -0.996 119.406 120.400 0.004 0.000 2.097 105 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 105 K C 2.040 178.642 176.600 0.003 0.000 1.050 105 K CA 1.121 57.410 56.287 0.003 0.000 0.938 105 K CB -0.006 32.496 32.500 0.003 0.000 0.718 105 K HN 0.281 nan 8.250 nan 0.000 0.442 106 A N 0.856 123.678 122.820 0.003 0.000 1.898 106 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 106 A C 2.215 179.801 177.584 0.003 0.000 1.181 106 A CA 1.695 53.734 52.037 0.003 0.000 0.620 106 A CB -0.844 18.158 19.000 0.004 0.000 0.819 106 A HN 0.307 nan 8.150 nan 0.000 0.442 107 V N -1.793 118.124 119.914 0.004 0.000 2.548 107 V HA 0.049 4.169 4.120 -0.000 0.000 0.249 107 V C 2.313 178.409 176.094 0.003 0.000 1.055 107 V CA 2.050 64.352 62.300 0.004 0.000 1.065 107 V CB -0.863 30.964 31.823 0.006 0.000 0.681 107 V HN 0.529 nan 8.190 nan 0.000 0.462 108 A N -0.190 122.631 122.820 0.002 0.000 2.209 108 A HA 0.474 4.794 4.320 -0.000 0.000 0.212 108 A C 2.257 179.841 177.584 0.000 0.000 1.158 108 A CA 1.285 53.322 52.037 0.001 0.000 0.742 108 A CB -0.630 18.370 19.000 -0.001 0.000 0.790 108 A HN 1.014 nan 8.150 nan 0.000 0.472 109 A N -1.616 121.205 122.820 0.001 0.000 2.132 109 A HA 0.440 4.760 4.320 -0.000 0.000 0.213 109 A C 1.552 179.136 177.584 -0.000 0.000 1.154 109 A CA 1.137 53.174 52.037 0.000 0.000 0.753 109 A CB -0.361 18.639 19.000 0.001 0.000 0.826 109 A HN 1.733 nan 8.150 nan 0.000 0.469 110 G N -1.346 107.454 108.800 0.000 0.000 2.186 110 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.130 110 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.130 110 G C -0.144 174.757 174.900 0.000 0.000 1.031 110 G CA 0.069 45.169 45.100 -0.000 0.000 0.697 110 G HN 0.284 nan 8.290 nan 0.000 0.494 111 M N -0.040 119.561 119.600 0.001 0.000 2.777 111 M HA 0.435 4.915 4.480 -0.000 0.000 0.307 111 M C 0.084 176.385 176.300 0.003 0.000 1.228 111 M CA -1.016 54.285 55.300 0.002 0.000 0.871 111 M CB 1.404 34.005 32.600 0.002 0.000 1.721 111 M HN 0.091 nan 8.290 nan 0.000 0.487 112 N N 1.564 120.266 118.700 0.003 0.000 2.408 112 N HA 0.209 4.949 4.740 -0.000 0.000 0.257 112 N C -2.245 173.268 175.510 0.005 0.000 1.064 112 N CA -1.471 51.581 53.050 0.003 0.000 0.952 112 N CB 1.417 39.905 38.487 0.003 0.000 1.093 112 N HN 0.231 nan 8.380 nan 0.000 0.490 113 P HA -0.079 nan 4.420 nan 0.000 0.218 113 P C 1.251 178.555 177.300 0.008 0.000 1.148 113 P CA 1.060 64.165 63.100 0.008 0.000 0.822 113 P CB 0.294 32.000 31.700 0.010 0.000 0.784 114 M N -1.162 118.442 119.600 0.007 0.000 2.349 114 M HA -0.064 4.415 4.480 -0.000 0.000 0.266 114 M C 1.294 177.598 176.300 0.005 0.000 1.076 114 M CA 1.547 56.850 55.300 0.007 0.000 1.126 114 M CB -0.613 31.991 32.600 0.006 0.000 1.392 114 M HN -0.203 nan 8.290 nan 0.000 0.440 115 D N -0.518 119.885 120.400 0.005 0.000 2.149 115 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 115 D C 2.029 178.332 176.300 0.004 0.000 0.967 115 D CA 1.084 55.086 54.000 0.004 0.000 0.848 115 D CB -0.171 40.630 40.800 0.003 0.000 0.998 115 D HN 0.310 nan 8.370 nan 0.000 0.474 116 L N 1.057 122.283 121.223 0.005 0.000 2.043 116 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 116 L C 2.555 179.429 176.870 0.006 0.000 1.075 116 L CA 1.290 56.134 54.840 0.005 0.000 0.752 116 L CB -0.269 41.794 42.059 0.006 0.000 0.891 116 L HN -0.004 nan 8.230 nan 0.000 0.432 117 K N 0.154 120.558 120.400 0.007 0.000 2.001 117 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 117 K C 2.320 178.922 176.600 0.005 0.000 1.048 117 K CA 1.312 57.603 56.287 0.007 0.000 0.932 117 K CB -0.062 32.443 32.500 0.008 0.000 0.715 117 K HN 0.049 nan 8.250 nan 0.000 0.437 118 R N -0.079 120.423 120.500 0.004 0.000 2.096 118 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 118 R C 2.292 178.593 176.300 0.002 0.000 1.139 118 R CA 1.907 58.008 56.100 0.002 0.000 0.952 118 R CB -0.752 29.550 30.300 0.002 0.000 0.854 118 R HN 0.456 nan 8.270 nan 0.000 0.436 119 G N 1.014 109.816 108.800 0.003 0.000 2.587 119 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 119 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 119 G C 1.422 176.323 174.900 0.003 0.000 1.240 119 G CA 1.288 46.389 45.100 0.003 0.000 0.794 119 G HN 0.312 nan 8.290 nan 0.000 0.580 120 I N 1.351 121.923 120.570 0.004 0.000 2.141 120 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 120 I C 2.461 178.580 176.117 0.002 0.000 1.035 120 I CA 2.049 63.351 61.300 0.004 0.000 1.302 120 I CB -0.204 37.800 38.000 0.006 0.000 1.006 120 I HN 0.187 nan 8.210 nan 0.000 0.413 121 D N 0.159 120.559 120.400 0.000 0.000 2.144 121 D HA -0.213 4.427 4.640 -0.000 0.000 0.199 121 D C 2.051 178.349 176.300 -0.004 0.000 0.984 121 D CA 1.180 55.178 54.000 -0.004 0.000 0.834 121 D CB -0.297 40.500 40.800 -0.005 0.000 0.955 121 D HN 0.408 nan 8.370 nan 0.000 0.465 122 K N 0.878 121.276 120.400 -0.002 0.000 2.057 122 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 122 K C 2.071 178.670 176.600 -0.001 0.000 1.049 122 K CA 1.134 57.420 56.287 -0.002 0.000 0.931 122 K CB 0.021 32.521 32.500 -0.000 0.000 0.714 122 K HN 0.008 nan 8.250 nan 0.000 0.440 123 A N 0.642 123.462 122.820 0.000 0.000 1.858 123 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 123 A C 2.229 179.814 177.584 0.001 0.000 1.190 123 A CA 1.780 53.818 52.037 0.002 0.000 0.617 123 A CB -0.789 18.213 19.000 0.004 0.000 0.827 123 A HN 0.159 nan 8.150 nan 0.000 0.443 124 V N -0.115 119.799 119.914 -0.001 0.000 2.287 124 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 124 V C 2.720 178.809 176.094 -0.009 0.000 1.053 124 V CA 2.550 64.847 62.300 -0.005 0.000 1.027 124 V CB -1.527 30.291 31.823 -0.009 0.000 0.646 124 V HN 0.614 nan 8.190 nan 0.000 0.447 125 T N 0.387 114.936 114.554 -0.010 0.000 2.665 125 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 125 T C 2.032 176.729 174.700 -0.006 0.000 1.035 125 T CA 2.001 64.095 62.100 -0.010 0.000 1.151 125 T CB -0.463 68.400 68.868 -0.008 0.000 0.862 125 T HN 0.614 nan 8.240 nan 0.000 0.438 126 A N 1.242 124.060 122.820 -0.002 0.000 1.872 126 A HA 0.265 4.585 4.320 -0.000 0.000 0.214 126 A C 2.667 180.253 177.584 0.002 0.000 1.187 126 A CA 1.736 53.773 52.037 0.000 0.000 0.614 126 A CB -1.178 17.823 19.000 0.002 0.000 0.826 126 A HN 0.501 nan 8.150 nan 0.000 0.442 127 A N -0.463 122.358 122.820 0.002 0.000 1.908 127 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 127 A C 2.193 179.779 177.584 0.003 0.000 1.181 127 A CA 1.859 53.899 52.037 0.005 0.000 0.627 127 A CB -0.988 18.016 19.000 0.006 0.000 0.818 127 A HN 0.421 nan 8.150 nan 0.000 0.445 128 V N 0.134 120.047 119.914 -0.002 0.000 2.490 128 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 128 V C 2.590 178.684 176.094 -0.001 0.000 1.061 128 V CA 2.127 64.425 62.300 -0.004 0.000 1.064 128 V CB -0.725 31.091 31.823 -0.012 0.000 0.670 128 V HN 0.479 nan 8.190 nan 0.000 0.461 129 E N 0.111 120.311 120.200 -0.000 0.000 2.007 129 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 129 E C 2.319 178.922 176.600 0.005 0.000 0.999 129 E CA 1.125 57.526 56.400 0.002 0.000 0.811 129 E CB -0.496 29.205 29.700 0.002 0.000 0.762 129 E HN 0.546 nan 8.360 nan 0.000 0.450 130 E N 0.419 120.623 120.200 0.007 0.000 2.114 130 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 130 E C 2.249 178.857 176.600 0.012 0.000 1.008 130 E CA 0.708 57.114 56.400 0.010 0.000 0.810 130 E CB -0.350 29.357 29.700 0.012 0.000 0.739 130 E HN 0.125 nan 8.360 nan 0.000 0.456 131 L N 1.215 122.445 121.223 0.011 0.000 2.046 131 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 131 L C 2.179 179.057 176.870 0.012 0.000 1.077 131 L CA 1.683 56.531 54.840 0.013 0.000 0.747 131 L CB -0.206 41.859 42.059 0.011 0.000 0.896 131 L HN -0.003 nan 8.230 nan 0.000 0.432 132 K N -1.168 119.238 120.400 0.009 0.000 2.362 132 K HA -0.037 4.283 4.320 -0.000 0.000 0.200 132 K C 1.944 178.551 176.600 0.010 0.000 1.046 132 K CA 0.874 57.167 56.287 0.009 0.000 0.952 132 K CB -0.141 32.363 32.500 0.006 0.000 0.753 132 K HN 0.368 nan 8.250 nan 0.000 0.466 133 A N 1.079 123.906 122.820 0.011 0.000 1.903 133 A HA -0.048 4.272 4.320 -0.000 0.000 0.213 133 A C 1.981 179.574 177.584 0.015 0.000 1.185 133 A CA 0.605 52.649 52.037 0.012 0.000 0.628 133 A CB -0.211 18.796 19.000 0.011 0.000 0.830 133 A HN 0.233 nan 8.150 nan 0.000 0.446 134 L N 0.047 121.280 121.223 0.018 0.000 2.313 134 L HA 0.151 4.491 4.340 -0.000 0.000 0.214 134 L C 1.304 178.186 176.870 0.021 0.000 1.119 134 L CA 1.113 55.966 54.840 0.022 0.000 0.809 134 L CB -0.448 41.626 42.059 0.025 0.000 0.933 134 L HN 0.252 nan 8.230 nan 0.000 0.449 135 S N -0.422 115.289 115.700 0.018 0.000 2.552 135 S HA 0.193 4.663 4.470 -0.000 0.000 0.289 135 S C -0.127 174.483 174.600 0.016 0.000 1.304 135 S CA -0.518 57.693 58.200 0.017 0.000 1.063 135 S CB 0.288 63.497 63.200 0.015 0.000 0.848 135 S HN 0.091 nan 8.310 nan 0.000 0.499 136 V N 8.291 128.215 119.914 0.017 0.000 2.370 136 V HA 0.382 4.502 4.120 -0.000 0.000 0.283 136 V C -1.994 174.108 176.094 0.014 0.000 1.023 136 V CA -1.845 60.464 62.300 0.016 0.000 0.857 136 V CB 1.183 33.017 31.823 0.017 0.000 0.985 136 V HN 0.804 nan 8.190 nan 0.000 0.443 137 P HA 0.081 nan 4.420 nan 0.000 0.267 137 P C -0.612 176.695 177.300 0.011 0.000 1.201 137 P CA -0.069 63.038 63.100 0.011 0.000 0.775 137 P CB 0.347 32.053 31.700 0.010 0.000 0.854 138 C N 2.002 121.309 119.300 0.011 0.000 2.660 138 C HA 0.587 5.047 4.460 -0.000 0.000 0.336 138 C C 1.031 176.027 174.990 0.009 0.000 1.058 138 C CA 0.402 59.426 59.018 0.010 0.000 1.368 138 C CB -0.485 27.262 27.740 0.011 0.000 1.884 138 C HN 0.644 nan 8.230 nan 0.000 0.454 139 S N 3.002 118.706 115.700 0.008 0.000 3.056 139 S HA 0.215 4.685 4.470 -0.000 0.000 0.255 139 S C 0.289 174.892 174.600 0.005 0.000 1.079 139 S CA 0.648 58.852 58.200 0.007 0.000 0.810 139 S CB -0.113 63.091 63.200 0.006 0.000 0.810 139 S HN 0.938 nan 8.310 nan 0.000 0.477 140 D N 1.285 121.687 120.400 0.005 0.000 2.354 140 D HA 0.327 4.967 4.640 -0.000 0.000 0.247 140 D C 0.899 177.201 176.300 0.003 0.000 1.138 140 D CA -0.129 53.873 54.000 0.004 0.000 0.958 140 D CB 0.964 41.766 40.800 0.004 0.000 1.144 140 D HN 0.122 nan 8.370 nan 0.000 0.458 141 S N -0.010 115.691 115.700 0.003 0.000 2.383 141 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 141 S C 1.614 176.215 174.600 0.002 0.000 1.030 141 S CA 1.507 59.708 58.200 0.002 0.000 1.002 141 S CB -0.306 62.894 63.200 0.001 0.000 0.829 141 S HN 0.617 nan 8.310 nan 0.000 0.467 142 K N 0.928 121.329 120.400 0.003 0.000 2.044 142 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 142 K C 2.060 178.662 176.600 0.004 0.000 1.049 142 K CA 1.469 57.758 56.287 0.003 0.000 0.927 142 K CB -0.338 32.165 32.500 0.004 0.000 0.713 142 K HN 0.329 nan 8.250 nan 0.000 0.443 143 A N 0.659 123.482 122.820 0.005 0.000 1.930 143 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 143 A C 1.941 179.528 177.584 0.006 0.000 1.176 143 A CA 0.865 52.905 52.037 0.006 0.000 0.632 143 A CB -0.373 18.632 19.000 0.007 0.000 0.819 143 A HN 0.226 nan 8.150 nan 0.000 0.445 144 I N 0.476 121.049 120.570 0.005 0.000 2.076 144 I HA -0.284 3.886 4.170 -0.000 0.000 0.237 144 I C 2.998 179.118 176.117 0.005 0.000 1.059 144 I CA 1.583 62.886 61.300 0.005 0.000 1.317 144 I CB -1.702 36.300 38.000 0.004 0.000 1.037 144 I HN 0.353 nan 8.210 nan 0.000 0.398 145 A N 0.028 122.850 122.820 0.003 0.000 1.917 145 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 145 A C 2.363 179.949 177.584 0.003 0.000 1.182 145 A CA 2.221 54.260 52.037 0.003 0.000 0.633 145 A CB -0.923 18.078 19.000 0.002 0.000 0.819 145 A HN 0.618 nan 8.150 nan 0.000 0.448 146 Q N -0.453 119.350 119.800 0.004 0.000 2.061 146 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 146 Q C 2.049 178.052 176.000 0.005 0.000 0.984 146 Q CA 2.209 58.015 55.803 0.004 0.000 0.846 146 Q CB -0.263 28.478 28.738 0.005 0.000 0.902 146 Q HN 0.398 nan 8.270 nan 0.000 0.421 147 V N 0.459 120.377 119.914 0.007 0.000 2.343 147 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 147 V C 2.281 178.381 176.094 0.009 0.000 1.051 147 V CA 1.894 64.199 62.300 0.008 0.000 1.036 147 V CB -0.977 30.853 31.823 0.011 0.000 0.654 147 V HN 0.654 nan 8.190 nan 0.000 0.451 148 G N 0.026 108.831 108.800 0.009 0.000 2.459 148 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.217 148 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.217 148 G C 1.805 176.709 174.900 0.007 0.000 1.183 148 G CA 1.906 47.011 45.100 0.009 0.000 0.776 148 G HN 0.568 nan 8.290 nan 0.000 0.552 149 T N -0.310 114.246 114.554 0.004 0.000 2.746 149 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 149 T C 2.419 177.119 174.700 0.001 0.000 1.039 149 T CA 1.247 63.348 62.100 0.002 0.000 1.142 149 T CB -0.304 68.565 68.868 0.001 0.000 0.866 149 T HN 0.166 nan 8.240 nan 0.000 0.444 150 I N 1.298 121.868 120.570 0.001 0.000 2.361 150 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 150 I C 2.990 179.106 176.117 -0.001 0.000 1.133 150 I CA 1.203 62.502 61.300 -0.002 0.000 1.413 150 I CB -0.292 37.707 38.000 -0.002 0.000 1.073 150 I HN 0.295 nan 8.210 nan 0.000 0.424 151 S N -0.191 115.511 115.700 0.004 0.000 2.395 151 S HA 0.069 4.539 4.470 -0.000 0.000 0.225 151 S C 1.922 176.526 174.600 0.006 0.000 1.027 151 S CA 0.902 59.106 58.200 0.007 0.000 0.965 151 S CB -0.093 63.115 63.200 0.015 0.000 0.812 151 S HN 0.456 nan 8.310 nan 0.000 0.482 152 A N 1.710 124.534 122.820 0.006 0.000 2.261 152 A HA 0.234 4.554 4.320 -0.000 0.000 0.208 152 A C 0.484 178.068 177.584 0.000 0.000 1.223 152 A CA 0.084 52.124 52.037 0.005 0.000 0.833 152 A CB -0.898 18.105 19.000 0.005 0.000 0.830 152 A HN 0.759 nan 8.150 nan 0.000 0.483 153 N N 0.116 118.815 118.700 -0.002 0.000 2.411 153 N HA -0.190 4.550 4.740 -0.000 0.000 0.286 153 N C -0.189 175.317 175.510 -0.007 0.000 1.382 153 N CA 0.439 53.485 53.050 -0.007 0.000 0.630 153 N CB -1.077 37.405 38.487 -0.008 0.000 0.904 153 N HN 0.402 nan 8.380 nan 0.000 0.516 154 S N 1.120 116.815 115.700 -0.007 0.000 3.367 154 S HA -0.214 4.256 4.470 -0.000 0.000 0.375 154 S C -0.306 174.291 174.600 -0.005 0.000 0.962 154 S CA 1.237 59.433 58.200 -0.007 0.000 1.229 154 S CB -0.613 62.581 63.200 -0.009 0.000 0.905 154 S HN 0.685 nan 8.310 nan 0.000 0.482 155 D N 0.328 120.726 120.400 -0.003 0.000 2.432 155 D HA 0.304 4.944 4.640 -0.000 0.000 0.265 155 D C 0.958 177.258 176.300 -0.001 0.000 1.160 155 D CA -0.581 53.417 54.000 -0.002 0.000 0.911 155 D CB 0.498 41.297 40.800 -0.001 0.000 1.052 155 D HN 0.369 nan 8.370 nan 0.000 0.508 156 E N 0.237 120.437 120.200 -0.001 0.000 2.147 156 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 156 E C 1.787 178.387 176.600 -0.001 0.000 1.005 156 E CA 1.937 58.336 56.400 -0.001 0.000 0.810 156 E CB 0.230 29.930 29.700 -0.001 0.000 0.736 156 E HN 0.594 nan 8.360 nan 0.000 0.460 157 T N -1.449 113.104 114.554 -0.001 0.000 2.833 157 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 157 T C 1.937 176.637 174.700 -0.001 0.000 1.054 157 T CA 1.263 63.362 62.100 -0.001 0.000 1.135 157 T CB -0.328 68.539 68.868 -0.001 0.000 0.869 157 T HN -0.025 nan 8.240 nan 0.000 0.466 158 V N 1.774 121.688 119.914 -0.000 0.000 2.255 158 V HA 0.111 4.231 4.120 -0.000 0.000 0.243 158 V C 3.166 179.260 176.094 0.000 0.000 1.038 158 V CA 1.702 64.002 62.300 0.000 0.000 1.008 158 V CB -1.533 30.291 31.823 0.002 0.000 0.645 158 V HN 0.641 nan 8.190 nan 0.000 0.449 159 G N -0.340 108.461 108.800 0.001 0.000 2.513 159 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.219 159 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.219 159 G C 1.638 176.539 174.900 0.000 0.000 1.160 159 G CA 1.438 46.538 45.100 0.002 0.000 0.767 159 G HN 0.444 nan 8.290 nan 0.000 0.571 160 K N -0.661 119.739 120.400 -0.000 0.000 2.052 160 K HA -0.169 4.151 4.320 -0.000 0.000 0.215 160 K C 2.523 179.122 176.600 -0.002 0.000 1.053 160 K CA 1.561 57.847 56.287 -0.001 0.000 0.934 160 K CB -0.281 32.218 32.500 -0.001 0.000 0.717 160 K HN 0.235 nan 8.250 nan 0.000 0.450 161 L N 1.062 122.283 121.223 -0.002 0.000 2.027 161 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 161 L C 2.248 179.115 176.870 -0.005 0.000 1.074 161 L CA 1.425 56.262 54.840 -0.004 0.000 0.745 161 L CB -0.599 41.457 42.059 -0.004 0.000 0.898 161 L HN 0.251 nan 8.230 nan 0.000 0.433 162 I N -0.729 119.839 120.570 -0.004 0.000 2.163 162 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 162 I C 2.532 178.646 176.117 -0.005 0.000 1.085 162 I CA 1.422 62.719 61.300 -0.006 0.000 1.347 162 I CB -0.473 37.525 38.000 -0.003 0.000 1.044 162 I HN 0.246 nan 8.210 nan 0.000 0.408 163 A N -0.051 122.768 122.820 -0.003 0.000 1.972 163 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 163 A C 2.192 179.774 177.584 -0.003 0.000 1.169 163 A CA 1.704 53.740 52.037 -0.002 0.000 0.635 163 A CB -0.550 18.450 19.000 -0.000 0.000 0.810 163 A HN 0.466 nan 8.150 nan 0.000 0.446 164 E N -0.556 119.642 120.200 -0.004 0.000 2.152 164 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 164 E C 2.241 178.838 176.600 -0.006 0.000 0.983 164 E CA 0.699 57.096 56.400 -0.004 0.000 0.818 164 E CB -0.174 29.523 29.700 -0.004 0.000 0.758 164 E HN 0.638 nan 8.360 nan 0.000 0.467 165 A N 0.935 123.751 122.820 -0.007 0.000 1.897 165 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 165 A C 2.126 179.704 177.584 -0.009 0.000 1.181 165 A CA 1.018 53.050 52.037 -0.009 0.000 0.620 165 A CB -0.318 18.674 19.000 -0.012 0.000 0.821 165 A HN 0.124 nan 8.150 nan 0.000 0.443 166 M N -0.846 118.749 119.600 -0.008 0.000 2.229 166 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 166 M C 1.677 177.974 176.300 -0.005 0.000 1.063 166 M CA 1.783 57.079 55.300 -0.007 0.000 1.114 166 M CB -0.688 31.908 32.600 -0.006 0.000 1.387 166 M HN 0.387 nan 8.290 nan 0.000 0.420 167 D N 0.815 121.212 120.400 -0.004 0.000 2.144 167 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 167 D C 2.022 178.320 176.300 -0.004 0.000 0.984 167 D CA 1.195 55.193 54.000 -0.003 0.000 0.834 167 D CB 0.247 41.045 40.800 -0.003 0.000 0.955 167 D HN 0.216 nan 8.370 nan 0.000 0.465 168 K N -0.762 119.635 120.400 -0.005 0.000 2.168 168 K HA 0.092 4.412 4.320 -0.000 0.000 0.201 168 K C 1.305 177.902 176.600 -0.005 0.000 1.049 168 K CA 0.328 56.612 56.287 -0.005 0.000 0.974 168 K CB 0.529 33.025 32.500 -0.006 0.000 0.792 168 K HN 0.031 nan 8.250 nan 0.000 0.463 169 V N 0.423 120.333 119.914 -0.006 0.000 3.427 169 V HA 0.240 4.360 4.120 -0.000 0.000 0.305 169 V C -0.187 175.903 176.094 -0.006 0.000 1.412 169 V CA 0.625 62.921 62.300 -0.006 0.000 1.086 169 V CB 0.173 31.991 31.823 -0.008 0.000 0.964 169 V HN 0.555 nan 8.190 nan 0.000 0.439 170 G N 0.776 109.573 108.800 -0.005 0.000 2.699 170 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 170 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 170 G C 0.074 174.971 174.900 -0.005 0.000 1.301 170 G CA -0.003 45.094 45.100 -0.004 0.000 0.816 170 G HN 0.313 nan 8.290 nan 0.000 0.595 171 K N 0.029 120.427 120.400 -0.003 0.000 2.280 171 K HA -0.048 4.272 4.320 -0.000 0.000 0.202 171 K C 2.049 178.647 176.600 -0.004 0.000 1.047 171 K CA 1.691 57.976 56.287 -0.003 0.000 0.942 171 K CB 0.056 32.556 32.500 -0.000 0.000 0.739 171 K HN 0.406 nan 8.250 nan 0.000 0.457 172 E N 0.630 120.828 120.200 -0.004 0.000 2.170 172 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 172 E C 0.798 177.394 176.600 -0.007 0.000 0.981 172 E CA 0.329 56.727 56.400 -0.003 0.000 0.830 172 E CB -0.300 29.400 29.700 -0.001 0.000 0.775 172 E HN 0.314 nan 8.360 nan 0.000 0.470 173 G N 0.438 109.234 108.800 -0.008 0.000 2.568 173 G HA2 0.101 4.061 3.960 -0.000 0.000 0.231 173 G HA3 0.101 4.061 3.960 -0.000 0.000 0.231 173 G C -0.082 174.809 174.900 -0.015 0.000 1.261 173 G CA -0.330 44.765 45.100 -0.009 0.000 0.855 173 G HN 0.036 nan 8.290 nan 0.000 0.576 174 V N 2.387 122.293 119.914 -0.013 0.000 2.521 174 V HA 0.248 4.368 4.120 -0.000 0.000 0.286 174 V C 0.493 176.572 176.094 -0.026 0.000 1.034 174 V CA 0.228 62.515 62.300 -0.021 0.000 1.045 174 V CB 0.301 32.116 31.823 -0.013 0.000 0.974 174 V HN 0.475 nan 8.190 nan 0.000 0.480 175 I N 5.021 125.568 120.570 -0.039 0.000 2.447 175 I HA 0.521 4.691 4.170 -0.000 0.000 0.287 175 I C 0.342 176.430 176.117 -0.048 0.000 1.023 175 I CA -0.206 61.071 61.300 -0.039 0.000 1.083 175 I CB 2.133 40.109 38.000 -0.040 0.000 1.245 175 I HN 0.762 nan 8.210 nan 0.000 0.434 176 T N 2.454 116.986 114.554 -0.037 0.000 2.927 176 T HA 0.821 5.171 4.350 -0.000 0.000 0.286 176 T C -0.534 174.149 174.700 -0.028 0.000 1.040 176 T CA -0.852 61.225 62.100 -0.037 0.000 1.010 176 T CB 2.154 71.003 68.868 -0.031 0.000 1.177 176 T HN 0.185 nan 8.240 nan 0.000 0.546 177 V N 1.048 120.948 119.914 -0.023 0.000 2.525 177 V HA 0.511 4.631 4.120 -0.000 0.000 0.299 177 V C -0.284 175.804 176.094 -0.011 0.000 1.034 177 V CA -0.768 61.523 62.300 -0.015 0.000 0.863 177 V CB 1.399 33.215 31.823 -0.012 0.000 0.999 177 V HN 0.967 nan 8.190 nan 0.000 0.423 178 E N 1.635 121.829 120.200 -0.010 0.000 2.281 178 E HA 0.439 4.789 4.350 -0.000 0.000 0.257 178 E C -1.318 175.278 176.600 -0.006 0.000 0.971 178 E CA -0.999 55.396 56.400 -0.008 0.000 0.839 178 E CB 1.465 31.159 29.700 -0.010 0.000 1.238 178 E HN 0.644 nan 8.360 nan 0.000 0.412 179 D N 0.550 120.946 120.400 -0.006 0.000 2.348 179 D HA 0.231 4.871 4.640 -0.000 0.000 0.253 179 D C -0.071 176.226 176.300 -0.005 0.000 1.161 179 D CA 0.217 54.214 54.000 -0.005 0.000 0.876 179 D CB 1.020 41.818 40.800 -0.004 0.000 1.160 179 D HN 0.434 nan 8.370 nan 0.000 0.459 180 G N 0.568 109.365 108.800 -0.005 0.000 2.569 180 G HA2 0.319 4.279 3.960 -0.000 0.000 0.249 180 G HA3 0.319 4.279 3.960 -0.000 0.000 0.249 180 G C 0.960 175.857 174.900 -0.005 0.000 1.216 180 G CA -0.317 44.780 45.100 -0.005 0.000 0.845 180 G HN 0.507 nan 8.290 nan 0.000 0.568 181 T N -1.555 112.996 114.554 -0.005 0.000 2.969 181 T HA 0.383 4.733 4.350 -0.000 0.000 0.250 181 T C 1.190 175.887 174.700 -0.004 0.000 1.021 181 T CA 0.660 62.757 62.100 -0.005 0.000 1.003 181 T CB 0.512 69.377 68.868 -0.006 0.000 1.040 181 T HN 0.767 nan 8.240 nan 0.000 0.492 182 G N 1.139 109.937 108.800 -0.004 0.000 3.008 182 G HA2 0.540 4.499 3.960 -0.000 0.000 0.181 182 G HA3 0.540 4.499 3.960 -0.000 0.000 0.181 182 G C 0.262 175.160 174.900 -0.003 0.000 1.309 182 G CA -0.340 44.758 45.100 -0.003 0.000 1.009 182 G HN 0.197 nan 8.290 nan 0.000 0.584 183 L N -0.810 120.411 121.223 -0.003 0.000 2.375 183 L HA 0.316 4.656 4.340 -0.000 0.000 0.215 183 L C 0.847 177.716 176.870 -0.003 0.000 1.108 183 L CA 0.662 55.500 54.840 -0.003 0.000 0.830 183 L CB -0.366 41.691 42.059 -0.002 0.000 0.959 183 L HN 0.250 nan 8.230 nan 0.000 0.457 184 Q N 1.578 121.376 119.800 -0.003 0.000 2.293 184 Q HA 0.176 4.516 4.340 -0.000 0.000 0.251 184 Q C -0.829 175.169 176.000 -0.003 0.000 0.930 184 Q CA -0.185 55.616 55.803 -0.003 0.000 0.893 184 Q CB 0.768 29.504 28.738 -0.003 0.000 1.215 184 Q HN 0.320 nan 8.270 nan 0.000 0.425 185 D N 2.222 122.620 120.400 -0.003 0.000 2.304 185 D HA 0.172 4.812 4.640 -0.000 0.000 0.250 185 D C -0.182 176.115 176.300 -0.004 0.000 1.107 185 D CA 0.148 54.145 54.000 -0.004 0.000 0.885 185 D CB 1.188 41.985 40.800 -0.004 0.000 1.192 185 D HN 0.364 nan 8.370 nan 0.000 0.436 186 E N 0.620 120.817 120.200 -0.005 0.000 2.249 186 E HA 0.618 4.968 4.350 -0.000 0.000 0.263 186 E C -0.658 175.938 176.600 -0.006 0.000 0.950 186 E CA -0.900 55.497 56.400 -0.006 0.000 0.827 186 E CB 2.413 32.110 29.700 -0.006 0.000 1.220 186 E HN 0.190 nan 8.360 nan 0.000 0.411 187 L N 2.391 123.611 121.223 -0.006 0.000 2.529 187 L HA 0.340 4.680 4.340 -0.000 0.000 0.260 187 L C -1.626 175.240 176.870 -0.007 0.000 0.997 187 L CA -0.434 54.402 54.840 -0.007 0.000 0.885 187 L CB 0.663 42.718 42.059 -0.007 0.000 1.185 187 L HN 0.532 nan 8.230 nan 0.000 0.442 188 D N 3.348 123.744 120.400 -0.008 0.000 2.277 188 D HA 0.492 5.132 4.640 -0.000 0.000 0.250 188 D C -0.356 175.939 176.300 -0.008 0.000 1.032 188 D CA -0.257 53.738 54.000 -0.008 0.000 0.947 188 D CB 2.881 43.676 40.800 -0.008 0.000 1.159 188 D HN 0.273 nan 8.370 nan 0.000 0.460 189 V N -1.220 118.689 119.914 -0.007 0.000 2.513 189 V HA 0.755 4.875 4.120 -0.000 0.000 0.299 189 V C -0.158 175.932 176.094 -0.006 0.000 1.035 189 V CA -0.742 61.554 62.300 -0.007 0.000 0.889 189 V CB 1.645 33.465 31.823 -0.006 0.000 0.988 189 V HN 0.333 nan 8.190 nan 0.000 0.440 190 V N 1.940 121.851 119.914 -0.006 0.000 3.147 190 V HA 0.506 4.626 4.120 -0.000 0.000 0.306 190 V C -0.538 175.554 176.094 -0.003 0.000 1.209 190 V CA -0.556 61.740 62.300 -0.005 0.000 1.023 190 V CB 2.460 34.279 31.823 -0.007 0.000 1.059 190 V HN 1.042 nan 8.190 nan 0.000 0.435 191 E N 3.407 123.605 120.200 -0.003 0.000 2.463 191 E HA 0.413 4.763 4.350 -0.000 0.000 0.248 191 E C 0.216 176.819 176.600 0.004 0.000 1.106 191 E CA 0.711 57.111 56.400 0.000 0.000 0.946 191 E CB 0.494 30.193 29.700 -0.001 0.000 0.971 191 E HN 0.938 nan 8.360 nan 0.000 0.478 192 G N 1.615 110.421 108.800 0.009 0.000 2.619 192 G HA2 0.668 4.628 3.960 -0.000 0.000 0.305 192 G HA3 0.668 4.628 3.960 -0.000 0.000 0.305 192 G C -1.121 173.797 174.900 0.031 0.000 1.330 192 G CA -0.627 44.484 45.100 0.019 0.000 0.789 192 G HN 0.366 nan 8.290 nan 0.000 0.487 193 M N -0.240 119.391 119.600 0.051 0.000 2.755 193 M HA 0.481 4.961 4.480 -0.000 0.000 0.276 193 M C -2.370 174.001 176.300 0.119 0.000 1.129 193 M CA -0.605 54.745 55.300 0.084 0.000 0.832 193 M CB 2.436 35.099 32.600 0.104 0.000 1.700 193 M HN 0.768 nan 8.290 nan 0.000 0.518 194 Q N 3.082 122.966 119.800 0.140 0.000 2.340 194 Q HA 0.694 5.034 4.340 -0.000 0.000 0.276 194 Q C -2.258 173.866 176.000 0.206 0.000 1.048 194 Q CA -0.595 55.270 55.803 0.104 0.000 0.832 194 Q CB 2.472 31.206 28.738 -0.006 0.000 1.373 194 Q HN 0.594 nan 8.270 nan 0.000 0.409 195 F N -0.340 119.605 119.950 -0.009 0.000 2.643 195 F HA 0.510 5.037 4.527 -0.000 0.000 0.314 195 F C -0.585 175.211 175.800 -0.006 0.000 1.096 195 F CA -1.200 56.797 58.000 -0.005 0.000 0.953 195 F CB 1.086 40.084 39.000 -0.002 0.000 1.345 195 F HN 0.342 nan 8.300 nan 0.000 0.468 196 D N 2.620 123.111 120.400 0.151 0.000 2.934 196 D HA 0.137 4.777 4.640 -0.000 0.000 0.237 196 D C -0.284 176.035 176.300 0.032 0.000 1.158 196 D CA 0.293 54.316 54.000 0.038 0.000 0.971 196 D CB -0.044 40.795 40.800 0.065 0.000 1.123 196 D HN 0.254 nan 8.370 nan 0.000 0.467 197 R N 0.078 120.535 120.500 -0.071 0.000 2.575 197 R HA 0.529 4.869 4.340 -0.000 0.000 0.293 197 R C 0.304 176.511 176.300 -0.155 0.000 0.983 197 R CA -0.718 55.363 56.100 -0.031 0.000 0.887 197 R CB 2.271 32.667 30.300 0.161 0.000 1.184 197 R HN 0.112 nan 8.270 nan 0.000 0.445 198 G N 1.283 109.990 108.800 -0.156 0.000 2.488 198 G HA2 0.415 4.375 3.960 -0.000 0.000 0.318 198 G HA3 0.415 4.375 3.960 -0.000 0.000 0.318 198 G C -0.487 174.300 174.900 -0.188 0.000 1.188 198 G CA -0.564 44.356 45.100 -0.301 0.000 0.944 198 G HN 0.465 nan 8.290 nan 0.000 0.495 199 Y N -1.173 119.146 120.300 0.031 0.000 2.812 199 Y HA 0.139 4.689 4.550 -0.000 0.000 0.348 199 Y C 1.123 177.116 175.900 0.155 0.000 1.274 199 Y CA -0.655 57.503 58.100 0.097 0.000 1.489 199 Y CB 0.303 38.885 38.460 0.203 0.000 1.348 199 Y HN 0.194 nan 8.280 nan 0.000 0.646 200 L N 1.429 122.948 121.223 0.494 0.000 2.592 200 L HA 0.163 4.503 4.340 -0.000 0.000 0.227 200 L C 0.513 177.665 176.870 0.471 0.000 1.127 200 L CA 0.777 55.865 54.840 0.413 0.000 0.884 200 L CB -0.130 42.119 42.059 0.318 0.000 1.065 200 L HN 0.812 nan 8.230 nan 0.000 0.457 201 S N -1.131 114.919 115.700 0.583 0.000 2.584 201 S HA 0.321 4.791 4.470 -0.000 0.000 0.280 201 S C -2.538 171.948 174.600 -0.191 0.000 1.162 201 S CA -0.856 57.436 58.200 0.152 0.000 0.951 201 S CB 1.692 64.865 63.200 -0.046 0.000 1.108 201 S HN -0.237 nan 8.310 nan 0.000 0.464 202 P HA 0.034 nan 4.420 nan 0.000 0.249 202 P C -0.069 176.807 177.300 -0.706 0.000 1.227 202 P CA 0.726 63.387 63.100 -0.731 0.000 0.753 202 P CB -0.387 31.035 31.700 -0.464 0.000 0.966 203 Y N -2.827 117.173 120.300 -0.499 0.000 2.503 203 Y HA 0.148 4.698 4.550 -0.000 0.000 0.277 203 Y C 1.784 177.431 175.900 -0.422 0.000 1.102 203 Y CA 0.227 58.053 58.100 -0.456 0.000 1.261 203 Y CB -0.806 37.360 38.460 -0.490 0.000 1.096 203 Y HN -0.104 nan 8.280 nan 0.000 0.546 204 F N 0.320 120.247 119.950 -0.038 0.000 2.408 204 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 204 F C 0.899 176.653 175.800 -0.077 0.000 1.090 204 F CA 0.011 57.989 58.000 -0.036 0.000 1.427 204 F CB -1.085 37.907 39.000 -0.014 0.000 1.070 204 F HN -0.175 nan 8.300 nan 0.000 0.549 205 I N 2.942 123.483 120.570 -0.048 0.000 2.845 205 I HA -0.206 3.964 4.170 -0.000 0.000 0.290 205 I C 0.875 176.986 176.117 -0.010 0.000 1.202 205 I CA 0.359 61.617 61.300 -0.069 0.000 1.406 205 I CB 0.053 37.950 38.000 -0.172 0.000 1.383 205 I HN 0.254 nan 8.210 nan 0.000 0.549 206 N N 5.503 124.213 118.700 0.017 0.000 2.322 206 N HA 0.010 4.750 4.740 -0.000 0.000 0.181 206 N C 0.008 175.522 175.510 0.007 0.000 1.088 206 N CA 0.195 53.255 53.050 0.016 0.000 0.885 206 N CB 0.307 38.811 38.487 0.029 0.000 1.013 206 N HN 0.436 nan 8.380 nan 0.000 0.472 207 K N 1.342 121.747 120.400 0.007 0.000 2.499 207 K HA 0.271 4.591 4.320 -0.000 0.000 0.215 207 K C -2.049 174.552 176.600 0.002 0.000 1.041 207 K CA -1.800 54.490 56.287 0.005 0.000 1.031 207 K CB 1.923 34.430 32.500 0.012 0.000 1.479 207 K HN 0.035 nan 8.250 nan 0.000 0.518 208 P HA -0.160 nan 4.420 nan 0.000 0.226 208 P C 0.380 177.677 177.300 -0.004 0.000 1.146 208 P CA 1.034 64.126 63.100 -0.014 0.000 0.773 208 P CB 0.518 32.206 31.700 -0.020 0.000 0.772 209 E N 0.110 120.311 120.200 0.001 0.000 2.017 209 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 209 E C 1.796 178.403 176.600 0.013 0.000 0.997 209 E CA 1.908 58.311 56.400 0.005 0.000 0.804 209 E CB -1.223 28.481 29.700 0.006 0.000 0.757 209 E HN 0.231 nan 8.360 nan 0.000 0.448 210 T N -0.915 113.652 114.554 0.022 0.000 3.129 210 T HA 0.198 4.548 4.350 -0.000 0.000 0.251 210 T C 1.070 175.797 174.700 0.044 0.000 1.117 210 T CA 0.477 62.599 62.100 0.036 0.000 1.034 210 T CB 0.087 68.980 68.868 0.043 0.000 0.968 210 T HN 0.383 nan 8.240 nan 0.000 0.526 211 G N 1.530 110.349 108.800 0.031 0.000 2.323 211 G HA2 0.017 3.977 3.960 -0.000 0.000 0.292 211 G HA3 0.017 3.977 3.960 -0.000 0.000 0.292 211 G C 0.073 175.023 174.900 0.083 0.000 1.040 211 G CA 0.104 45.225 45.100 0.036 0.000 0.942 211 G HN 0.949 nan 8.290 nan 0.000 0.506 212 A N -1.547 121.314 122.820 0.069 0.000 2.486 212 A HA 0.928 5.248 4.320 -0.000 0.000 0.289 212 A C -0.404 177.223 177.584 0.072 0.000 1.176 212 A CA -0.323 51.780 52.037 0.109 0.000 0.757 212 A CB 1.981 21.036 19.000 0.092 0.000 1.337 212 A HN 1.202 nan 8.150 nan 0.000 0.423 213 V N 0.922 120.895 119.914 0.099 0.000 2.417 213 V HA 0.525 4.645 4.120 -0.000 0.000 0.291 213 V C -0.185 175.939 176.094 0.049 0.000 1.024 213 V CA -0.304 62.041 62.300 0.075 0.000 0.861 213 V CB 1.315 33.202 31.823 0.106 0.000 0.985 213 V HN 0.893 nan 8.190 nan 0.000 0.436 214 E N 4.761 124.981 120.200 0.034 0.000 2.216 214 E HA 0.623 4.973 4.350 -0.000 0.000 0.260 214 E C -1.661 174.948 176.600 0.014 0.000 0.880 214 E CA -0.525 55.886 56.400 0.018 0.000 0.765 214 E CB 1.418 31.126 29.700 0.014 0.000 1.174 214 E HN 0.612 nan 8.360 nan 0.000 0.417 215 L N 3.340 124.566 121.223 0.006 0.000 2.346 215 L HA 0.529 4.869 4.340 -0.000 0.000 0.274 215 L C -0.206 176.655 176.870 -0.015 0.000 1.007 215 L CA -0.862 53.978 54.840 0.001 0.000 0.818 215 L CB 1.912 43.972 42.059 0.002 0.000 1.284 215 L HN 0.452 nan 8.230 nan 0.000 0.424 216 E N 1.269 121.457 120.200 -0.020 0.000 2.176 216 E HA 0.252 4.602 4.350 -0.000 0.000 0.267 216 E C -0.358 176.204 176.600 -0.064 0.000 0.893 216 E CA -0.526 55.853 56.400 -0.035 0.000 0.761 216 E CB 1.819 31.504 29.700 -0.025 0.000 1.133 216 E HN 0.623 nan 8.360 nan 0.000 0.409 217 S N 1.695 117.341 115.700 -0.089 0.000 3.614 217 S HA -0.117 4.353 4.470 -0.000 0.000 0.360 217 S C -2.261 172.185 174.600 -0.257 0.000 1.023 217 S CA 0.272 58.379 58.200 -0.155 0.000 1.114 217 S CB -1.052 62.061 63.200 -0.143 0.000 0.907 217 S HN 0.428 nan 8.310 nan 0.000 0.470 218 P HA 0.504 nan 4.420 nan 0.000 0.279 218 P C -0.009 177.146 177.300 -0.242 0.000 1.252 218 P CA -0.614 62.381 63.100 -0.175 0.000 0.811 218 P CB 0.434 32.110 31.700 -0.041 0.000 1.035 219 F N 0.634 120.587 119.950 0.004 0.000 2.382 219 F HA 0.379 4.906 4.527 -0.000 0.000 0.331 219 F C 0.967 176.769 175.800 0.004 0.000 1.121 219 F CA -0.154 57.848 58.000 0.004 0.000 1.183 219 F CB 0.369 39.370 39.000 0.003 0.000 1.207 219 F HN 0.043 nan 8.300 nan 0.000 0.555 220 I N 3.553 124.239 120.570 0.193 0.000 2.389 220 I HA 0.255 4.425 4.170 -0.000 0.000 0.288 220 I C -1.051 175.122 176.117 0.094 0.000 0.999 220 I CA -0.804 60.562 61.300 0.112 0.000 1.129 220 I CB 1.691 39.737 38.000 0.077 0.000 1.288 220 I HN 0.332 nan 8.210 nan 0.000 0.444 221 L N 8.257 129.520 121.223 0.067 0.000 2.265 221 L HA 0.501 4.841 4.340 -0.000 0.000 0.288 221 L C -1.093 175.793 176.870 0.027 0.000 1.058 221 L CA 0.139 55.003 54.840 0.040 0.000 0.809 221 L CB 0.641 42.716 42.059 0.026 0.000 1.179 221 L HN 0.477 nan 8.230 nan 0.000 0.429 222 L N 6.579 127.813 121.223 0.017 0.000 2.324 222 L HA 0.718 5.058 4.340 -0.000 0.000 0.274 222 L C -0.274 176.595 176.870 -0.001 0.000 1.012 222 L CA -0.379 54.464 54.840 0.004 0.000 0.859 222 L CB 1.225 43.282 42.059 -0.003 0.000 1.224 222 L HN 0.812 nan 8.230 nan 0.000 0.429 223 A N 1.659 124.480 122.820 0.001 0.000 2.319 223 A HA 0.463 4.783 4.320 -0.000 0.000 0.310 223 A C -0.824 176.760 177.584 0.000 0.000 1.152 223 A CA -0.515 51.523 52.037 0.001 0.000 0.783 223 A CB 1.091 20.095 19.000 0.007 0.000 1.184 223 A HN 0.619 nan 8.150 nan 0.000 0.474 224 D N 2.402 122.801 120.400 -0.002 0.000 2.524 224 D HA 0.455 5.095 4.640 -0.000 0.000 0.222 224 D C -0.151 176.152 176.300 0.006 0.000 1.142 224 D CA 0.233 54.232 54.000 -0.001 0.000 0.973 224 D CB -0.366 40.429 40.800 -0.007 0.000 1.025 224 D HN 0.649 nan 8.370 nan 0.000 0.519 225 K N 0.110 120.517 120.400 0.012 0.000 2.870 225 K HA 0.232 4.552 4.320 -0.000 0.000 0.290 225 K C -1.321 175.292 176.600 0.022 0.000 1.070 225 K CA -1.141 55.156 56.287 0.016 0.000 0.843 225 K CB 0.523 33.031 32.500 0.013 0.000 1.475 225 K HN -0.120 nan 8.250 nan 0.000 0.359 226 K N 1.387 121.802 120.400 0.025 0.000 2.298 226 K HA 0.336 4.656 4.320 -0.000 0.000 0.280 226 K C -0.502 176.114 176.600 0.028 0.000 1.032 226 K CA -0.284 56.021 56.287 0.029 0.000 0.958 226 K CB 0.579 33.097 32.500 0.030 0.000 0.978 226 K HN 0.361 nan 8.250 nan 0.000 0.472 227 I N 2.585 123.174 120.570 0.032 0.000 2.330 227 I HA 0.052 4.222 4.170 -0.000 0.000 0.286 227 I C 0.477 176.616 176.117 0.036 0.000 1.025 227 I CA 0.008 61.327 61.300 0.031 0.000 1.197 227 I CB 1.580 39.599 38.000 0.032 0.000 1.358 227 I HN 0.669 nan 8.210 nan 0.000 0.467 228 S N 3.501 119.219 115.700 0.030 0.000 2.620 228 S HA 0.184 4.654 4.470 -0.000 0.000 0.234 228 S C 0.755 175.372 174.600 0.028 0.000 1.064 228 S CA -0.081 58.138 58.200 0.031 0.000 0.920 228 S CB 0.234 63.449 63.200 0.026 0.000 0.826 228 S HN 0.590 nan 8.310 nan 0.000 0.557 229 N N 1.922 120.635 118.700 0.022 0.000 2.529 229 N HA 0.223 4.963 4.740 -0.000 0.000 0.278 229 N C 0.345 175.867 175.510 0.020 0.000 1.146 229 N CA -0.055 53.006 53.050 0.019 0.000 0.980 229 N CB 1.378 39.873 38.487 0.014 0.000 1.124 229 N HN 0.140 nan 8.380 nan 0.000 0.458 230 I N 2.163 122.744 120.570 0.019 0.000 2.876 230 I HA -0.072 4.098 4.170 -0.000 0.000 0.264 230 I C 1.827 177.952 176.117 0.012 0.000 1.204 230 I CA 0.470 61.782 61.300 0.019 0.000 1.485 230 I CB 0.131 38.144 38.000 0.020 0.000 1.103 230 I HN 0.443 nan 8.210 nan 0.000 0.446 231 R N 0.945 121.451 120.500 0.010 0.000 2.154 231 R HA -0.227 4.113 4.340 -0.000 0.000 0.248 231 R C 1.758 178.061 176.300 0.004 0.000 1.155 231 R CA 1.983 58.087 56.100 0.006 0.000 0.979 231 R CB -0.211 30.092 30.300 0.005 0.000 0.869 231 R HN 0.549 nan 8.270 nan 0.000 0.452 232 E N -0.432 119.772 120.200 0.006 0.000 2.285 232 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 232 E C 1.736 178.337 176.600 0.002 0.000 0.997 232 E CA 0.599 57.001 56.400 0.004 0.000 0.845 232 E CB 0.092 29.796 29.700 0.007 0.000 0.782 232 E HN 0.228 nan 8.360 nan 0.000 0.491 233 M N 0.335 119.938 119.600 0.005 0.000 2.248 233 M HA 0.029 4.509 4.480 -0.000 0.000 0.265 233 M C 2.280 178.578 176.300 -0.003 0.000 1.079 233 M CA 0.916 56.218 55.300 0.003 0.000 1.150 233 M CB -0.674 31.933 32.600 0.012 0.000 1.366 233 M HN 0.142 nan 8.290 nan 0.000 0.433 234 L N 0.746 121.968 121.223 -0.002 0.000 2.034 234 L HA -0.253 4.087 4.340 -0.000 0.000 0.217 234 L C -0.303 176.559 176.870 -0.013 0.000 1.077 234 L CA 1.877 56.714 54.840 -0.005 0.000 0.769 234 L CB -2.539 39.519 42.059 -0.003 0.000 0.890 234 L HN 0.195 nan 8.230 nan 0.000 0.435 235 P HA -0.130 nan 4.420 nan 0.000 0.215 235 P C 1.776 179.055 177.300 -0.036 0.000 1.153 235 P CA 1.546 64.632 63.100 -0.024 0.000 0.853 235 P CB 0.041 31.729 31.700 -0.021 0.000 0.788 236 V N 0.155 120.046 119.914 -0.038 0.000 2.379 236 V HA -0.111 4.009 4.120 -0.000 0.000 0.243 236 V C 2.816 178.875 176.094 -0.059 0.000 1.035 236 V CA 1.018 63.284 62.300 -0.058 0.000 1.035 236 V CB -1.350 30.443 31.823 -0.049 0.000 0.673 236 V HN -0.035 nan 8.190 nan 0.000 0.457 237 L N -0.044 121.160 121.223 -0.032 0.000 2.263 237 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 237 L C 2.411 179.269 176.870 -0.020 0.000 1.111 237 L CA 1.650 56.479 54.840 -0.018 0.000 0.773 237 L CB -0.271 41.788 42.059 -0.000 0.000 0.906 237 L HN 0.485 nan 8.230 nan 0.000 0.439 238 E N -1.238 118.944 120.200 -0.029 0.000 2.340 238 E HA 0.036 4.386 4.350 -0.000 0.000 0.198 238 E C 2.167 178.741 176.600 -0.042 0.000 0.961 238 E CA 0.565 56.949 56.400 -0.026 0.000 0.905 238 E CB 0.102 29.791 29.700 -0.019 0.000 0.884 238 E HN 0.413 nan 8.360 nan 0.000 0.491 239 A N 0.898 123.678 122.820 -0.066 0.000 2.019 239 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 239 A C 2.280 179.782 177.584 -0.137 0.000 1.164 239 A CA 0.949 52.927 52.037 -0.098 0.000 0.644 239 A CB -0.237 18.691 19.000 -0.120 0.000 0.805 239 A HN 0.107 nan 8.150 nan 0.000 0.449 240 V N -0.812 119.024 119.914 -0.130 0.000 2.500 240 V HA -0.051 4.069 4.120 -0.000 0.000 0.243 240 V C 2.909 179.002 176.094 -0.002 0.000 1.039 240 V CA 1.390 63.618 62.300 -0.120 0.000 1.053 240 V CB -0.685 31.088 31.823 -0.083 0.000 0.695 240 V HN 0.552 nan 8.190 nan 0.000 0.463 241 A N -0.770 122.052 122.820 0.003 0.000 2.131 241 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 241 A C 2.258 179.855 177.584 0.021 0.000 1.158 241 A CA 1.707 53.758 52.037 0.022 0.000 0.665 241 A CB -0.352 18.657 19.000 0.014 0.000 0.795 241 A HN 0.477 nan 8.150 nan 0.000 0.460 242 K N -0.689 119.714 120.400 0.005 0.000 2.067 242 K HA 0.094 4.414 4.320 -0.000 0.000 0.203 242 K C 1.965 178.583 176.600 0.030 0.000 1.048 242 K CA 0.857 57.149 56.287 0.008 0.000 0.954 242 K CB -0.176 32.317 32.500 -0.012 0.000 0.737 242 K HN 0.382 nan 8.250 nan 0.000 0.444 243 A N 0.590 123.436 122.820 0.043 0.000 2.248 243 A HA 0.065 4.385 4.320 -0.000 0.000 0.210 243 A C 1.178 178.851 177.584 0.148 0.000 1.174 243 A CA 1.045 53.151 52.037 0.116 0.000 0.750 243 A CB -0.798 18.317 19.000 0.192 0.000 0.780 243 A HN 0.521 nan 8.150 nan 0.000 0.478 244 G N -0.747 108.116 108.800 0.104 0.000 2.233 244 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.270 244 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.270 244 G C 0.176 175.135 174.900 0.097 0.000 1.011 244 G CA 1.067 46.216 45.100 0.082 0.000 0.762 244 G HN 0.642 nan 8.290 nan 0.000 0.511 245 K N 0.314 120.812 120.400 0.163 0.000 2.281 245 K HA 0.586 4.906 4.320 -0.000 0.000 0.242 245 K C -2.148 174.544 176.600 0.154 0.000 0.971 245 K CA -2.047 54.324 56.287 0.141 0.000 0.834 245 K CB 2.272 34.849 32.500 0.127 0.000 1.181 245 K HN 0.026 nan 8.250 nan 0.000 0.435 246 P HA 0.186 nan 4.420 nan 0.000 0.275 246 P C -1.261 176.125 177.300 0.142 0.000 1.266 246 P CA -0.503 62.653 63.100 0.093 0.000 0.793 246 P CB 0.569 32.297 31.700 0.047 0.000 1.074 247 L N 0.185 121.472 121.223 0.107 0.000 2.505 247 L HA 0.540 4.880 4.340 -0.000 0.000 0.266 247 L C -1.706 175.193 176.870 0.049 0.000 0.954 247 L CA -0.872 54.039 54.840 0.119 0.000 0.852 247 L CB 1.652 43.784 42.059 0.123 0.000 1.282 247 L HN 0.189 nan 8.230 nan 0.000 0.403 248 L N 5.693 126.945 121.223 0.048 0.000 2.295 248 L HA 0.680 5.020 4.340 -0.000 0.000 0.285 248 L C -1.084 175.795 176.870 0.016 0.000 1.035 248 L CA -0.261 54.584 54.840 0.009 0.000 0.806 248 L CB 1.214 43.286 42.059 0.023 0.000 1.214 248 L HN 0.521 nan 8.230 nan 0.000 0.426 249 I N 7.049 127.608 120.570 -0.020 0.000 2.307 249 I HA 0.303 4.473 4.170 -0.000 0.000 0.289 249 I C -0.288 175.839 176.117 0.017 0.000 1.021 249 I CA -0.208 61.091 61.300 -0.003 0.000 1.224 249 I CB 0.820 38.809 38.000 -0.019 0.000 1.376 249 I HN 0.562 nan 8.210 nan 0.000 0.470 250 I N 5.894 126.486 120.570 0.036 0.000 2.371 250 I HA 0.606 4.776 4.170 -0.000 0.000 0.282 250 I C 0.312 176.444 176.117 0.025 0.000 1.031 250 I CA -0.213 61.117 61.300 0.049 0.000 1.180 250 I CB 1.356 39.389 38.000 0.054 0.000 1.336 250 I HN 0.671 nan 8.210 nan 0.000 0.467 251 A N 4.498 127.337 122.820 0.031 0.000 2.483 251 A HA 0.462 4.782 4.320 -0.000 0.000 0.286 251 A C 0.817 178.420 177.584 0.031 0.000 1.207 251 A CA -0.533 51.518 52.037 0.023 0.000 0.764 251 A CB 1.405 20.420 19.000 0.025 0.000 1.341 251 A HN 0.696 nan 8.150 nan 0.000 0.428 252 E N -0.771 119.446 120.200 0.028 0.000 2.118 252 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 252 E C -0.372 176.257 176.600 0.047 0.000 0.992 252 E CA 1.592 58.014 56.400 0.036 0.000 0.804 252 E CB 0.153 29.872 29.700 0.033 0.000 0.741 252 E HN 0.585 nan 8.360 nan 0.000 0.458 253 D N -2.319 118.108 120.400 0.046 0.000 2.755 253 D HA 0.199 4.839 4.640 -0.000 0.000 0.277 253 D C -1.939 174.393 176.300 0.054 0.000 1.261 253 D CA -0.492 53.541 54.000 0.054 0.000 0.759 253 D CB 1.914 42.745 40.800 0.052 0.000 1.279 253 D HN -0.154 nan 8.370 nan 0.000 0.420 254 V N 1.738 121.692 119.914 0.067 0.000 2.524 254 V HA 0.474 4.594 4.120 -0.000 0.000 0.297 254 V C -0.437 175.707 176.094 0.083 0.000 1.035 254 V CA -0.624 61.720 62.300 0.072 0.000 0.867 254 V CB 1.749 33.620 31.823 0.081 0.000 1.004 254 V HN 0.415 nan 8.190 nan 0.000 0.426 255 E N 2.254 122.494 120.200 0.068 0.000 2.227 255 E HA 0.608 4.958 4.350 -0.000 0.000 0.268 255 E C 1.077 177.712 176.600 0.059 0.000 0.907 255 E CA 0.017 56.455 56.400 0.062 0.000 0.786 255 E CB 2.218 31.947 29.700 0.047 0.000 1.191 255 E HN 0.803 nan 8.360 nan 0.000 0.411 256 G N 2.670 111.504 108.800 0.056 0.000 2.860 256 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.347 256 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.347 256 G C 1.229 176.155 174.900 0.043 0.000 1.146 256 G CA 1.262 46.389 45.100 0.045 0.000 1.064 256 G HN 0.669 nan 8.290 nan 0.000 0.857 257 E N 1.143 121.364 120.200 0.035 0.000 2.007 257 E HA -0.176 4.174 4.350 -0.000 0.000 0.203 257 E C 3.113 179.736 176.600 0.038 0.000 1.020 257 E CA 2.152 58.570 56.400 0.030 0.000 0.845 257 E CB -0.805 28.909 29.700 0.024 0.000 0.779 257 E HN 0.717 nan 8.360 nan 0.000 0.466 258 A N 1.147 123.994 122.820 0.045 0.000 1.917 258 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 258 A C 2.297 179.929 177.584 0.079 0.000 1.182 258 A CA 1.773 53.842 52.037 0.054 0.000 0.633 258 A CB -0.783 18.248 19.000 0.051 0.000 0.819 258 A HN 0.354 nan 8.150 nan 0.000 0.448 259 L N -0.236 121.044 121.223 0.095 0.000 1.976 259 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 259 L C 2.679 179.616 176.870 0.112 0.000 1.071 259 L CA 2.478 57.404 54.840 0.144 0.000 0.746 259 L CB -0.807 41.340 42.059 0.147 0.000 0.890 259 L HN 0.319 nan 8.230 nan 0.000 0.432 260 A N -1.710 121.145 122.820 0.060 0.000 2.076 260 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 260 A C 2.156 179.740 177.584 -0.001 0.000 1.160 260 A CA 2.150 54.194 52.037 0.011 0.000 0.653 260 A CB -1.155 17.846 19.000 0.001 0.000 0.801 260 A HN 0.612 nan 8.150 nan 0.000 0.455 261 T N 0.400 114.970 114.554 0.027 0.000 2.732 261 T HA -0.042 4.308 4.350 -0.000 0.000 0.261 261 T C 1.828 176.552 174.700 0.039 0.000 1.040 261 T CA 1.370 63.484 62.100 0.023 0.000 1.145 261 T CB -0.406 68.480 68.868 0.030 0.000 0.866 261 T HN 0.379 nan 8.240 nan 0.000 0.427 262 L N 0.959 122.237 121.223 0.092 0.000 2.042 262 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 262 L C 2.731 179.690 176.870 0.147 0.000 1.076 262 L CA 0.871 55.803 54.840 0.154 0.000 0.749 262 L CB -0.929 41.279 42.059 0.248 0.000 0.893 262 L HN 0.116 nan 8.230 nan 0.000 0.432 263 V N -0.466 119.485 119.914 0.062 0.000 2.282 263 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 263 V C 2.387 178.377 176.094 -0.173 0.000 1.057 263 V CA 1.859 64.061 62.300 -0.164 0.000 1.032 263 V CB -0.375 31.297 31.823 -0.252 0.000 0.645 263 V HN 0.236 nan 8.190 nan 0.000 0.447 264 V N 0.148 119.984 119.914 -0.131 0.000 2.759 264 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 264 V C 1.946 178.000 176.094 -0.065 0.000 1.080 264 V CA 1.975 64.202 62.300 -0.122 0.000 1.101 264 V CB -0.963 30.802 31.823 -0.097 0.000 0.698 264 V HN 0.623 nan 8.190 nan 0.000 0.477 265 N N 0.008 118.696 118.700 -0.020 0.000 2.416 265 N HA -0.091 4.649 4.740 -0.000 0.000 0.177 265 N C 1.866 177.389 175.510 0.023 0.000 1.036 265 N CA 1.337 54.392 53.050 0.007 0.000 0.901 265 N CB 0.169 38.674 38.487 0.029 0.000 0.976 265 N HN 0.630 nan 8.380 nan 0.000 0.444 266 T N -1.898 112.679 114.554 0.039 0.000 3.081 266 T HA 0.120 4.470 4.350 -0.000 0.000 0.250 266 T C 1.664 176.368 174.700 0.007 0.000 1.100 266 T CA 0.007 62.140 62.100 0.055 0.000 1.038 266 T CB 0.164 69.120 68.868 0.147 0.000 0.962 266 T HN -0.091 nan 8.240 nan 0.000 0.516 267 M N 1.571 121.145 119.600 -0.043 0.000 2.123 267 M HA 0.298 4.778 4.480 -0.000 0.000 0.263 267 M C 2.040 178.310 176.300 -0.050 0.000 1.069 267 M CA 1.358 56.614 55.300 -0.073 0.000 1.133 267 M CB -0.126 32.388 32.600 -0.143 0.000 1.356 267 M HN 0.077 nan 8.290 nan 0.000 0.415 268 R N -0.230 120.245 120.500 -0.041 0.000 2.363 268 R HA 0.260 4.600 4.340 -0.000 0.000 0.236 268 R C 0.784 177.076 176.300 -0.014 0.000 0.966 268 R CA 0.498 56.581 56.100 -0.029 0.000 1.100 268 R CB -0.614 29.669 30.300 -0.028 0.000 1.125 268 R HN 0.591 nan 8.270 nan 0.000 0.514 269 G N 1.750 110.546 108.800 -0.005 0.000 2.361 269 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.294 269 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.294 269 G C 0.772 175.679 174.900 0.011 0.000 1.004 269 G CA 0.412 45.517 45.100 0.007 0.000 0.870 269 G HN 0.399 nan 8.290 nan 0.000 0.510 270 I N -1.462 119.115 120.570 0.011 0.000 2.202 270 I HA -0.041 4.129 4.170 -0.000 0.000 0.242 270 I C 0.866 176.996 176.117 0.022 0.000 1.091 270 I CA 1.315 62.622 61.300 0.012 0.000 1.368 270 I CB -0.054 37.951 38.000 0.008 0.000 1.058 270 I HN 0.116 nan 8.210 nan 0.000 0.410 271 V N 0.974 120.908 119.914 0.033 0.000 2.567 271 V HA 0.198 4.317 4.120 -0.000 0.000 0.298 271 V C -0.604 175.525 176.094 0.059 0.000 1.047 271 V CA -1.122 61.204 62.300 0.044 0.000 0.880 271 V CB 1.626 33.475 31.823 0.042 0.000 1.009 271 V HN 0.070 nan 8.190 nan 0.000 0.429 272 K N 3.118 123.554 120.400 0.060 0.000 2.395 272 K HA 0.454 4.774 4.320 -0.000 0.000 0.283 272 K C -0.571 176.075 176.600 0.077 0.000 1.068 272 K CA 0.406 56.736 56.287 0.072 0.000 1.039 272 K CB 0.518 33.052 32.500 0.058 0.000 0.924 272 K HN 0.499 nan 8.250 nan 0.000 0.468 273 V N 1.512 121.487 119.914 0.102 0.000 2.971 273 V HA 0.829 4.949 4.120 -0.000 0.000 0.309 273 V C -0.998 175.088 176.094 -0.013 0.000 1.130 273 V CA -1.018 61.315 62.300 0.056 0.000 0.964 273 V CB 2.154 34.017 31.823 0.067 0.000 1.029 273 V HN 0.781 nan 8.190 nan 0.000 0.427 274 A N 2.166 124.832 122.820 -0.257 0.000 2.572 274 A HA 1.040 5.360 4.320 -0.000 0.000 0.295 274 A C -0.896 176.327 177.584 -0.602 0.000 1.072 274 A CA -0.112 51.443 52.037 -0.804 0.000 0.691 274 A CB 2.029 20.764 19.000 -0.442 0.000 1.291 274 A HN 1.872 nan 8.150 nan 0.000 0.404 275 A N 0.292 122.642 122.820 -0.783 0.000 2.475 275 A HA 0.866 5.186 4.320 -0.000 0.000 0.301 275 A C -0.713 176.799 177.584 -0.120 0.000 1.059 275 A CA -0.122 51.742 52.037 -0.289 0.000 0.710 275 A CB 1.520 20.422 19.000 -0.163 0.000 1.288 275 A HN 2.271 nan 8.150 nan 0.000 0.408 276 V N -0.824 119.086 119.914 -0.006 0.000 2.808 276 V HA 0.546 4.666 4.120 -0.000 0.000 0.308 276 V C -0.459 175.700 176.094 0.108 0.000 1.099 276 V CA -1.277 61.063 62.300 0.066 0.000 0.920 276 V CB 1.422 33.296 31.823 0.084 0.000 1.014 276 V HN 0.860 nan 8.190 nan 0.000 0.425 277 K N 2.559 123.025 120.400 0.111 0.000 2.524 277 K HA 0.437 4.757 4.320 -0.000 0.000 0.279 277 K C 0.725 177.412 176.600 0.145 0.000 0.993 277 K CA 0.582 56.934 56.287 0.108 0.000 1.030 277 K CB 0.855 33.413 32.500 0.097 0.000 0.891 277 K HN 1.123 nan 8.250 nan 0.000 0.488 278 A N 5.434 128.300 122.820 0.077 0.000 2.466 278 A HA 0.170 4.490 4.320 -0.000 0.000 0.238 278 A C -1.961 175.625 177.584 0.003 0.000 1.074 278 A CA -0.968 51.067 52.037 -0.005 0.000 0.774 278 A CB -0.362 18.610 19.000 -0.048 0.000 1.015 278 A HN 0.476 nan 8.150 nan 0.000 0.498 279 P HA 0.407 nan 4.420 nan 0.000 0.274 279 P C 0.776 178.084 177.300 0.013 0.000 1.237 279 P CA 1.258 64.342 63.100 -0.028 0.000 0.793 279 P CB 0.528 32.085 31.700 -0.237 0.000 0.977 280 G N 1.405 110.261 108.800 0.094 0.000 2.601 280 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.261 280 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.261 280 G C -0.719 174.322 174.900 0.235 0.000 1.289 280 G CA 0.321 45.505 45.100 0.140 0.000 0.920 280 G HN 0.780 nan 8.290 nan 0.000 0.571 281 F N -2.521 117.442 119.950 0.022 0.000 2.662 281 F HA 0.736 5.263 4.527 -0.000 0.000 0.312 281 F C 1.110 176.922 175.800 0.020 0.000 1.113 281 F CA 0.362 58.374 58.000 0.021 0.000 0.951 281 F CB 1.000 40.017 39.000 0.027 0.000 1.344 281 F HN 2.385 nan 8.300 nan 0.000 0.462 282 G N 1.517 110.364 108.800 0.079 0.000 2.634 282 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.318 282 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.318 282 G C 0.505 175.349 174.900 -0.094 0.000 1.207 282 G CA 0.924 46.009 45.100 -0.025 0.000 0.987 282 G HN 0.833 nan 8.290 nan 0.000 0.547 283 D N 1.227 121.534 120.400 -0.155 0.000 2.146 283 D HA -0.018 4.622 4.640 -0.000 0.000 0.209 283 D C 2.534 178.762 176.300 -0.120 0.000 0.973 283 D CA 1.489 55.424 54.000 -0.109 0.000 0.860 283 D CB -0.315 40.429 40.800 -0.093 0.000 1.015 283 D HN 0.676 nan 8.370 nan 0.000 0.465 284 R N 1.269 121.667 120.500 -0.170 0.000 2.341 284 R HA -0.014 4.326 4.340 -0.000 0.000 0.213 284 R C 2.042 178.267 176.300 -0.125 0.000 1.082 284 R CA 0.721 56.734 56.100 -0.145 0.000 1.017 284 R CB -0.375 29.830 30.300 -0.158 0.000 0.860 284 R HN 0.069 nan 8.270 nan 0.000 0.473 285 R N 1.789 122.217 120.500 -0.120 0.000 2.062 285 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 285 R C 1.349 177.606 176.300 -0.072 0.000 1.128 285 R CA 1.617 57.671 56.100 -0.077 0.000 0.960 285 R CB -0.011 30.270 30.300 -0.031 0.000 0.855 285 R HN 0.243 nan 8.270 nan 0.000 0.432 286 K N -0.059 120.304 120.400 -0.061 0.000 2.148 286 K HA -0.016 4.304 4.320 -0.000 0.000 0.204 286 K C 1.976 178.542 176.600 -0.057 0.000 1.050 286 K CA 1.257 57.514 56.287 -0.050 0.000 0.942 286 K CB -0.015 32.463 32.500 -0.037 0.000 0.724 286 K HN 0.231 nan 8.250 nan 0.000 0.446 287 A N 0.709 123.490 122.820 -0.064 0.000 1.968 287 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 287 A C 2.040 179.579 177.584 -0.075 0.000 1.169 287 A CA 1.061 53.060 52.037 -0.064 0.000 0.638 287 A CB -0.272 18.690 19.000 -0.063 0.000 0.812 287 A HN 0.150 nan 8.150 nan 0.000 0.446 288 M N -1.014 118.531 119.600 -0.093 0.000 2.200 288 M HA 0.003 4.483 4.480 -0.000 0.000 0.265 288 M C 2.186 178.401 176.300 -0.143 0.000 1.066 288 M CA 1.055 56.285 55.300 -0.118 0.000 1.127 288 M CB -0.305 32.214 32.600 -0.135 0.000 1.379 288 M HN 0.479 nan 8.290 nan 0.000 0.420 289 L N 0.156 121.300 121.223 -0.130 0.000 2.042 289 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 289 L C 2.605 179.421 176.870 -0.091 0.000 1.076 289 L CA 1.487 56.252 54.840 -0.124 0.000 0.749 289 L CB -0.292 41.714 42.059 -0.088 0.000 0.893 289 L HN 0.293 nan 8.230 nan 0.000 0.432 290 Q N 0.285 120.043 119.800 -0.070 0.000 2.077 290 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 290 Q C 1.709 177.677 176.000 -0.053 0.000 0.989 290 Q CA 2.329 58.101 55.803 -0.052 0.000 0.853 290 Q CB -0.364 28.347 28.738 -0.044 0.000 0.907 290 Q HN 0.475 nan 8.270 nan 0.000 0.418 291 D N -0.285 120.077 120.400 -0.064 0.000 2.116 291 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 291 D C 1.928 178.196 176.300 -0.054 0.000 0.998 291 D CA 1.548 55.513 54.000 -0.057 0.000 0.836 291 D CB -0.322 40.438 40.800 -0.067 0.000 0.951 291 D HN 0.391 nan 8.370 nan 0.000 0.449 292 I N 0.988 121.511 120.570 -0.078 0.000 2.226 292 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 292 I C 2.499 178.598 176.117 -0.030 0.000 1.100 292 I CA 0.945 62.208 61.300 -0.062 0.000 1.374 292 I CB -0.338 37.596 38.000 -0.110 0.000 1.057 292 I HN -0.062 nan 8.210 nan 0.000 0.413 293 A N 1.145 123.945 122.820 -0.033 0.000 1.849 293 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 293 A C 2.414 179.993 177.584 -0.009 0.000 1.202 293 A CA 2.886 54.914 52.037 -0.015 0.000 0.629 293 A CB -1.362 17.627 19.000 -0.018 0.000 0.834 293 A HN 0.414 nan 8.150 nan 0.000 0.447 294 T N 0.633 115.178 114.554 -0.015 0.000 2.653 294 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 294 T C 1.813 176.509 174.700 -0.006 0.000 1.035 294 T CA 1.480 63.574 62.100 -0.011 0.000 1.154 294 T CB -0.513 68.346 68.868 -0.016 0.000 0.862 294 T HN 0.303 nan 8.240 nan 0.000 0.441 295 L N 1.552 122.771 121.223 -0.007 0.000 2.079 295 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 295 L C 2.319 179.191 176.870 0.004 0.000 1.081 295 L CA 2.378 57.217 54.840 -0.001 0.000 0.752 295 L CB -1.098 40.962 42.059 0.002 0.000 0.896 295 L HN 0.544 nan 8.230 nan 0.000 0.433 296 T N -4.492 110.066 114.554 0.007 0.000 3.054 296 T HA 0.278 4.628 4.350 -0.000 0.000 0.255 296 T C 1.109 175.820 174.700 0.018 0.000 1.035 296 T CA 0.321 62.429 62.100 0.013 0.000 0.941 296 T CB 0.163 69.044 68.868 0.021 0.000 1.026 296 T HN 0.482 nan 8.240 nan 0.000 0.533 297 G N 0.550 109.358 108.800 0.014 0.000 2.333 297 G HA2 0.137 4.097 3.960 -0.000 0.000 0.296 297 G HA3 0.137 4.097 3.960 -0.000 0.000 0.296 297 G C 0.265 175.181 174.900 0.027 0.000 1.059 297 G CA -0.168 44.942 45.100 0.018 0.000 1.050 297 G HN 1.045 nan 8.290 nan 0.000 0.508 298 G N -1.375 107.438 108.800 0.022 0.000 3.013 298 G HA2 0.904 4.864 3.960 -0.000 0.000 0.278 298 G HA3 0.904 4.864 3.960 -0.000 0.000 0.278 298 G C -0.468 174.439 174.900 0.013 0.000 1.353 298 G CA 0.148 45.264 45.100 0.027 0.000 1.043 298 G HN 0.759 nan 8.290 nan 0.000 0.523 299 T N -0.154 114.407 114.554 0.011 0.000 2.863 299 T HA 0.490 4.840 4.350 -0.000 0.000 0.285 299 T C -0.356 174.343 174.700 -0.001 0.000 1.009 299 T CA -0.380 61.722 62.100 0.002 0.000 0.989 299 T CB 1.879 70.748 68.868 0.001 0.000 1.004 299 T HN 0.390 nan 8.240 nan 0.000 0.455 300 V N 3.717 123.627 119.914 -0.007 0.000 2.408 300 V HA 0.300 4.420 4.120 -0.000 0.000 0.267 300 V C 0.252 176.341 176.094 -0.008 0.000 1.047 300 V CA -0.632 61.662 62.300 -0.011 0.000 0.937 300 V CB 0.001 31.814 31.823 -0.018 0.000 0.999 300 V HN 0.765 nan 8.190 nan 0.000 0.472 301 I N 5.195 125.761 120.570 -0.006 0.000 2.294 301 I HA 0.230 4.400 4.170 -0.000 0.000 0.295 301 I C 0.460 176.574 176.117 -0.004 0.000 1.098 301 I CA 0.436 61.733 61.300 -0.005 0.000 1.277 301 I CB 0.279 38.277 38.000 -0.003 0.000 1.434 301 I HN 0.656 nan 8.210 nan 0.000 0.498 302 S N 3.750 119.447 115.700 -0.005 0.000 2.454 302 S HA 0.337 4.807 4.470 -0.000 0.000 0.306 302 S C 0.603 175.201 174.600 -0.002 0.000 1.100 302 S CA -0.922 57.275 58.200 -0.004 0.000 1.087 302 S CB 2.018 65.214 63.200 -0.007 0.000 1.019 302 S HN 0.581 nan 8.310 nan 0.000 0.480 303 E N 1.447 121.647 120.200 0.000 0.000 2.333 303 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 303 E C 0.957 177.557 176.600 0.001 0.000 1.007 303 E CA 0.969 57.370 56.400 0.001 0.000 0.845 303 E CB -0.027 29.675 29.700 0.004 0.000 0.766 303 E HN 0.772 nan 8.360 nan 0.000 0.507 304 E N -0.019 120.180 120.200 -0.000 0.000 2.358 304 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 304 E C 1.331 177.929 176.600 -0.002 0.000 1.010 304 E CA 0.579 56.979 56.400 -0.001 0.000 0.856 304 E CB 0.165 29.863 29.700 -0.002 0.000 0.795 304 E HN 0.329 nan 8.360 nan 0.000 0.504 305 I N -0.743 119.825 120.570 -0.003 0.000 4.018 305 I HA 0.267 4.437 4.170 -0.000 0.000 0.337 305 I C 1.033 177.148 176.117 -0.003 0.000 1.327 305 I CA 0.029 61.327 61.300 -0.003 0.000 1.100 305 I CB 0.832 38.829 38.000 -0.005 0.000 1.025 305 I HN 0.125 nan 8.210 nan 0.000 0.396 306 G N 1.751 110.550 108.800 -0.002 0.000 2.130 306 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 306 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 306 G C 0.086 174.985 174.900 -0.002 0.000 0.999 306 G CA -0.339 44.760 45.100 -0.001 0.000 0.686 306 G HN 0.279 nan 8.290 nan 0.000 0.515 307 M N 0.461 120.060 119.600 -0.003 0.000 2.277 307 M HA 0.598 5.078 4.480 -0.000 0.000 0.350 307 M C 0.337 176.635 176.300 -0.003 0.000 1.180 307 M CA -0.226 55.072 55.300 -0.003 0.000 1.103 307 M CB 1.169 33.766 32.600 -0.004 0.000 1.577 307 M HN 0.200 nan 8.290 nan 0.000 0.459 308 E N 1.565 121.763 120.200 -0.003 0.000 2.232 308 E HA 0.338 4.688 4.350 -0.000 0.000 0.264 308 E C 0.217 176.814 176.600 -0.004 0.000 0.973 308 E CA -0.641 55.758 56.400 -0.003 0.000 0.849 308 E CB 1.863 31.561 29.700 -0.003 0.000 1.198 308 E HN 0.672 nan 8.360 nan 0.000 0.407 309 L N 1.201 122.423 121.223 -0.003 0.000 2.395 309 L HA -0.103 4.237 4.340 -0.000 0.000 0.218 309 L C 1.598 178.462 176.870 -0.009 0.000 1.130 309 L CA 0.853 55.689 54.840 -0.005 0.000 0.826 309 L CB -0.131 41.927 42.059 -0.001 0.000 0.941 309 L HN 0.548 nan 8.230 nan 0.000 0.451 310 E N 0.409 120.604 120.200 -0.008 0.000 2.107 310 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 310 E C 0.736 177.328 176.600 -0.013 0.000 0.982 310 E CA 0.888 57.282 56.400 -0.010 0.000 0.809 310 E CB 0.100 29.795 29.700 -0.007 0.000 0.756 310 E HN 0.227 nan 8.360 nan 0.000 0.459 311 K N 0.636 121.029 120.400 -0.012 0.000 2.758 311 K HA 0.447 4.767 4.320 -0.000 0.000 0.250 311 K C -1.021 175.569 176.600 -0.016 0.000 1.268 311 K CA -0.241 56.038 56.287 -0.013 0.000 1.228 311 K CB 0.904 33.398 32.500 -0.010 0.000 1.715 311 K HN -0.030 nan 8.250 nan 0.000 0.334 312 A N 1.241 124.048 122.820 -0.022 0.000 2.446 312 A HA 0.320 4.640 4.320 -0.000 0.000 0.282 312 A C 0.020 177.579 177.584 -0.042 0.000 1.102 312 A CA -0.765 51.256 52.037 -0.027 0.000 0.737 312 A CB 0.685 19.671 19.000 -0.024 0.000 1.212 312 A HN 0.352 nan 8.150 nan 0.000 0.434 313 T N 0.079 114.607 114.554 -0.044 0.000 2.862 313 T HA 0.521 4.871 4.350 -0.000 0.000 0.276 313 T C 1.386 176.030 174.700 -0.093 0.000 0.974 313 T CA -0.595 61.467 62.100 -0.063 0.000 0.966 313 T CB 0.356 69.195 68.868 -0.048 0.000 1.072 313 T HN 0.384 nan 8.240 nan 0.000 0.538 314 L N 0.228 121.369 121.223 -0.137 0.000 2.043 314 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 314 L C 3.053 179.853 176.870 -0.116 0.000 1.075 314 L CA 2.140 56.843 54.840 -0.228 0.000 0.752 314 L CB -0.634 41.266 42.059 -0.266 0.000 0.891 314 L HN 0.913 nan 8.230 nan 0.000 0.432 315 E N 0.088 120.257 120.200 -0.051 0.000 2.204 315 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 315 E C 1.330 177.935 176.600 0.009 0.000 0.990 315 E CA 1.326 57.725 56.400 -0.001 0.000 0.821 315 E CB 0.049 29.748 29.700 -0.002 0.000 0.750 315 E HN 0.524 nan 8.360 nan 0.000 0.477 316 D N 0.235 120.631 120.400 -0.007 0.000 2.224 316 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 316 D C 0.451 176.763 176.300 0.019 0.000 0.965 316 D CA 0.281 54.283 54.000 0.002 0.000 0.852 316 D CB 0.063 40.857 40.800 -0.009 0.000 0.947 316 D HN 0.147 nan 8.370 nan 0.000 0.494 317 L N 0.886 122.125 121.223 0.026 0.000 2.461 317 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 317 L C 1.393 178.338 176.870 0.125 0.000 1.197 317 L CA 0.201 55.085 54.840 0.073 0.000 0.836 317 L CB 0.769 42.874 42.059 0.077 0.000 1.105 317 L HN -0.143 nan 8.230 nan 0.000 0.477 318 G N 1.428 110.296 108.800 0.114 0.000 2.557 318 G HA2 0.518 4.478 3.960 -0.000 0.000 0.292 318 G HA3 0.518 4.478 3.960 -0.000 0.000 0.292 318 G C -1.033 173.936 174.900 0.114 0.000 1.237 318 G CA -0.230 44.927 45.100 0.094 0.000 0.978 318 G HN 0.544 nan 8.290 nan 0.000 0.498 319 Q N -1.725 118.102 119.800 0.043 0.000 2.438 319 Q HA 0.536 4.876 4.340 -0.000 0.000 0.272 319 Q C -1.193 174.779 176.000 -0.046 0.000 0.994 319 Q CA -0.681 55.103 55.803 -0.032 0.000 0.887 319 Q CB 2.180 30.875 28.738 -0.071 0.000 1.432 319 Q HN 0.956 nan 8.270 nan 0.000 0.392 320 A N 1.810 124.584 122.820 -0.077 0.000 2.552 320 A HA 0.537 4.857 4.320 -0.000 0.000 0.288 320 A C -0.646 176.891 177.584 -0.078 0.000 1.193 320 A CA -0.537 51.467 52.037 -0.055 0.000 0.713 320 A CB 1.592 20.578 19.000 -0.024 0.000 1.305 320 A HN 0.727 nan 8.150 nan 0.000 0.424 321 K N -0.848 119.520 120.400 -0.055 0.000 2.356 321 K HA 0.205 4.525 4.320 -0.000 0.000 0.195 321 K C 0.274 176.846 176.600 -0.047 0.000 1.037 321 K CA 0.729 56.983 56.287 -0.056 0.000 1.014 321 K CB 0.259 32.734 32.500 -0.042 0.000 0.815 321 K HN 0.510 nan 8.250 nan 0.000 0.507 322 R N -0.261 120.217 120.500 -0.036 0.000 2.664 322 R HA 0.170 4.510 4.340 -0.000 0.000 0.260 322 R C -1.927 174.362 176.300 -0.019 0.000 1.062 322 R CA -0.553 55.531 56.100 -0.027 0.000 0.902 322 R CB 1.880 32.166 30.300 -0.022 0.000 1.258 322 R HN -0.052 nan 8.270 nan 0.000 0.465 323 V N -0.454 119.451 119.914 -0.015 0.000 3.007 323 V HA 0.879 4.999 4.120 -0.000 0.000 0.311 323 V C -1.384 174.702 176.094 -0.013 0.000 1.120 323 V CA -0.687 61.605 62.300 -0.012 0.000 0.980 323 V CB 2.411 34.231 31.823 -0.004 0.000 1.033 323 V HN 0.405 nan 8.190 nan 0.000 0.429 324 V N 5.000 124.900 119.914 -0.025 0.000 2.532 324 V HA 0.532 4.652 4.120 -0.000 0.000 0.294 324 V C -0.341 175.732 176.094 -0.034 0.000 1.036 324 V CA -0.260 62.030 62.300 -0.017 0.000 0.876 324 V CB 1.448 33.260 31.823 -0.019 0.000 1.012 324 V HN 1.033 nan 8.190 nan 0.000 0.432 325 I N 1.253 121.827 120.570 0.005 0.000 2.474 325 I HA 0.715 4.885 4.170 -0.000 0.000 0.294 325 I C -0.465 175.706 176.117 0.090 0.000 1.005 325 I CA -0.442 60.861 61.300 0.005 0.000 1.113 325 I CB 2.056 40.065 38.000 0.014 0.000 1.289 325 I HN 0.389 nan 8.210 nan 0.000 0.436 326 N N 4.320 123.014 118.700 -0.010 0.000 2.538 326 N HA 0.213 4.953 4.740 -0.000 0.000 0.292 326 N C 0.759 176.104 175.510 -0.275 0.000 1.262 326 N CA -0.647 52.396 53.050 -0.012 0.000 0.976 326 N CB 1.189 39.637 38.487 -0.064 0.000 1.161 326 N HN 0.686 nan 8.380 nan 0.000 0.598 327 K N 0.125 120.356 120.400 -0.281 0.000 2.089 327 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 327 K C -0.329 175.960 176.600 -0.518 0.000 1.048 327 K CA 2.393 58.335 56.287 -0.575 0.000 0.926 327 K CB 0.016 32.416 32.500 -0.166 0.000 0.714 327 K HN 0.617 nan 8.250 nan 0.000 0.448 328 D N -2.237 117.992 120.400 -0.285 0.000 2.563 328 D HA 0.099 4.739 4.640 -0.000 0.000 0.256 328 D C -0.628 175.573 176.300 -0.165 0.000 1.400 328 D CA -0.381 53.501 54.000 -0.196 0.000 0.800 328 D CB 0.856 41.585 40.800 -0.118 0.000 1.145 328 D HN -0.140 nan 8.370 nan 0.000 0.501 329 T N 0.039 114.478 114.554 -0.193 0.000 2.886 329 T HA 0.614 4.964 4.350 -0.000 0.000 0.292 329 T C -0.992 173.525 174.700 -0.306 0.000 1.012 329 T CA -0.321 61.647 62.100 -0.220 0.000 0.982 329 T CB 2.109 70.889 68.868 -0.146 0.000 1.018 329 T HN -0.136 nan 8.240 nan 0.000 0.451 330 T N 2.237 116.461 114.554 -0.549 0.000 2.829 330 T HA 0.674 5.024 4.350 -0.000 0.000 0.280 330 T C -0.459 173.930 174.700 -0.518 0.000 0.999 330 T CA -0.562 61.174 62.100 -0.607 0.000 0.983 330 T CB 1.567 69.825 68.868 -1.015 0.000 0.968 330 T HN 0.625 nan 8.240 nan 0.000 0.446 331 T N 3.180 117.585 114.554 -0.247 0.000 2.937 331 T HA 0.647 4.997 4.350 -0.000 0.000 0.297 331 T C -0.833 173.844 174.700 -0.038 0.000 0.991 331 T CA -0.660 61.369 62.100 -0.119 0.000 0.990 331 T CB 0.188 69.003 68.868 -0.089 0.000 0.991 331 T HN 0.470 nan 8.240 nan 0.000 0.440 332 I N 5.679 126.264 120.570 0.025 0.000 2.336 332 I HA 0.481 4.650 4.170 -0.000 0.000 0.292 332 I C -0.238 175.892 176.117 0.022 0.000 0.991 332 I CA -0.946 60.379 61.300 0.041 0.000 1.227 332 I CB 1.475 39.530 38.000 0.091 0.000 1.366 332 I HN 0.582 nan 8.210 nan 0.000 0.466 333 I N 5.764 126.337 120.570 0.005 0.000 2.362 333 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 333 I C -0.628 175.485 176.117 -0.007 0.000 0.994 333 I CA -0.420 60.878 61.300 -0.003 0.000 1.158 333 I CB 1.364 39.358 38.000 -0.011 0.000 1.315 333 I HN 0.601 nan 8.210 nan 0.000 0.451 334 D N 4.953 125.350 120.400 -0.005 0.000 3.515 334 D HA -0.109 4.531 4.640 -0.000 0.000 0.247 334 D C 0.008 176.300 176.300 -0.012 0.000 1.084 334 D CA 0.865 54.859 54.000 -0.010 0.000 1.030 334 D CB -0.293 40.498 40.800 -0.016 0.000 0.946 334 D HN 0.809 nan 8.370 nan 0.000 0.420 335 G N 0.681 109.478 108.800 -0.005 0.000 2.444 335 G HA2 0.422 4.382 3.960 -0.000 0.000 0.268 335 G HA3 0.422 4.382 3.960 -0.000 0.000 0.268 335 G C 1.424 176.319 174.900 -0.008 0.000 1.203 335 G CA -0.313 44.784 45.100 -0.005 0.000 0.835 335 G HN 0.360 nan 8.290 nan 0.000 0.543 336 V N 2.277 122.185 119.914 -0.011 0.000 2.759 336 V HA -0.024 4.096 4.120 -0.000 0.000 0.256 336 V C 2.195 178.289 176.094 -0.000 0.000 1.080 336 V CA 1.084 63.380 62.300 -0.008 0.000 1.101 336 V CB -1.233 30.585 31.823 -0.008 0.000 0.698 336 V HN 0.822 nan 8.190 nan 0.000 0.477 337 G N 1.115 109.916 108.800 0.002 0.000 2.224 337 G HA2 0.045 4.005 3.960 -0.000 0.000 0.239 337 G HA3 0.045 4.005 3.960 -0.000 0.000 0.239 337 G C -0.136 174.764 174.900 0.000 0.000 1.240 337 G CA -0.142 44.960 45.100 0.003 0.000 0.896 337 G HN 0.578 nan 8.290 nan 0.000 0.496 338 E N 1.834 122.035 120.200 0.001 0.000 2.301 338 E HA 0.108 4.458 4.350 -0.000 0.000 0.275 338 E C 0.689 177.288 176.600 -0.002 0.000 1.030 338 E CA -0.320 56.079 56.400 -0.001 0.000 0.852 338 E CB 1.686 31.386 29.700 0.000 0.000 1.060 338 E HN 0.666 nan 8.360 nan 0.000 0.401 339 E N 1.663 121.861 120.200 -0.003 0.000 2.401 339 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 339 E C 1.602 178.199 176.600 -0.004 0.000 1.023 339 E CA 0.616 57.013 56.400 -0.004 0.000 0.859 339 E CB -0.038 29.660 29.700 -0.004 0.000 0.780 339 E HN 0.592 nan 8.360 nan 0.000 0.523 340 A N 1.828 124.646 122.820 -0.003 0.000 1.841 340 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 340 A C 2.442 180.023 177.584 -0.004 0.000 1.199 340 A CA 1.905 53.940 52.037 -0.003 0.000 0.621 340 A CB -0.820 18.178 19.000 -0.002 0.000 0.835 340 A HN 0.326 nan 8.150 nan 0.000 0.445 341 A N -0.434 122.384 122.820 -0.004 0.000 1.898 341 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 341 A C 2.141 179.721 177.584 -0.007 0.000 1.181 341 A CA 1.535 53.569 52.037 -0.005 0.000 0.620 341 A CB -0.638 18.360 19.000 -0.004 0.000 0.819 341 A HN 0.522 nan 8.150 nan 0.000 0.442 342 I N -1.147 119.420 120.570 -0.007 0.000 2.202 342 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 342 I C 2.726 178.837 176.117 -0.009 0.000 1.091 342 I CA 1.384 62.679 61.300 -0.008 0.000 1.368 342 I CB -0.389 37.607 38.000 -0.006 0.000 1.058 342 I HN 0.259 nan 8.210 nan 0.000 0.410 343 Q N 1.474 121.270 119.800 -0.007 0.000 2.030 343 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 343 Q C 2.237 178.232 176.000 -0.009 0.000 0.986 343 Q CA 2.223 58.022 55.803 -0.008 0.000 0.843 343 Q CB -1.109 27.625 28.738 -0.006 0.000 0.904 343 Q HN 0.505 nan 8.270 nan 0.000 0.420 344 G N -0.015 108.779 108.800 -0.008 0.000 2.469 344 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.219 344 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.219 344 G C 1.615 176.508 174.900 -0.011 0.000 1.150 344 G CA 1.133 46.227 45.100 -0.009 0.000 0.763 344 G HN 0.396 nan 8.290 nan 0.000 0.561 345 R N -0.148 120.345 120.500 -0.013 0.000 2.148 345 R HA 0.076 4.416 4.340 -0.000 0.000 0.223 345 R C 2.467 178.757 176.300 -0.018 0.000 1.088 345 R CA 0.975 57.066 56.100 -0.016 0.000 0.985 345 R CB -0.419 29.871 30.300 -0.018 0.000 0.880 345 R HN 0.219 nan 8.270 nan 0.000 0.451 346 V N 0.622 120.527 119.914 -0.016 0.000 2.427 346 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 346 V C 2.266 178.350 176.094 -0.016 0.000 1.051 346 V CA 1.782 64.072 62.300 -0.016 0.000 1.048 346 V CB -0.568 31.247 31.823 -0.013 0.000 0.666 346 V HN 0.540 nan 8.190 nan 0.000 0.456 347 A N -0.965 121.846 122.820 -0.013 0.000 1.969 347 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 347 A C 2.174 179.750 177.584 -0.014 0.000 1.169 347 A CA 1.586 53.615 52.037 -0.013 0.000 0.635 347 A CB -0.348 18.645 19.000 -0.010 0.000 0.810 347 A HN 0.608 nan 8.150 nan 0.000 0.445 348 Q N -0.500 119.290 119.800 -0.015 0.000 2.046 348 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 348 Q C 1.966 177.954 176.000 -0.020 0.000 0.975 348 Q CA 1.597 57.390 55.803 -0.017 0.000 0.836 348 Q CB -0.260 28.467 28.738 -0.018 0.000 0.896 348 Q HN 0.750 nan 8.270 nan 0.000 0.428 349 I N -0.085 120.472 120.570 -0.023 0.000 2.353 349 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 349 I C 2.374 178.476 176.117 -0.025 0.000 1.119 349 I CA 0.535 61.819 61.300 -0.027 0.000 1.417 349 I CB -0.164 37.817 38.000 -0.031 0.000 1.078 349 I HN 0.087 nan 8.210 nan 0.000 0.421 350 R N 1.077 121.564 120.500 -0.021 0.000 2.133 350 R HA -0.268 4.072 4.340 -0.000 0.000 0.245 350 R C 2.335 178.625 176.300 -0.018 0.000 1.137 350 R CA 2.060 58.149 56.100 -0.019 0.000 0.947 350 R CB -0.351 29.939 30.300 -0.015 0.000 0.865 350 R HN 0.383 nan 8.270 nan 0.000 0.437 351 Q N -0.631 119.159 119.800 -0.017 0.000 2.119 351 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 351 Q C 2.090 178.080 176.000 -0.017 0.000 0.972 351 Q CA 1.412 57.206 55.803 -0.015 0.000 0.847 351 Q CB 0.109 28.839 28.738 -0.013 0.000 0.903 351 Q HN 0.526 nan 8.270 nan 0.000 0.433 352 Q N 0.125 119.913 119.800 -0.020 0.000 2.234 352 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 352 Q C 1.977 177.963 176.000 -0.023 0.000 0.980 352 Q CA 0.976 56.766 55.803 -0.022 0.000 0.869 352 Q CB -0.180 28.541 28.738 -0.028 0.000 0.912 352 Q HN 0.504 nan 8.270 nan 0.000 0.436 353 I N 1.052 121.608 120.570 -0.024 0.000 2.614 353 I HA -0.206 3.964 4.170 -0.000 0.000 0.258 353 I C 1.919 178.026 176.117 -0.017 0.000 1.189 353 I CA 0.654 61.939 61.300 -0.024 0.000 1.462 353 I CB -0.235 37.750 38.000 -0.025 0.000 1.092 353 I HN 0.060 nan 8.210 nan 0.000 0.442 354 E N 1.491 121.683 120.200 -0.014 0.000 2.047 354 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 354 E C 1.718 178.313 176.600 -0.008 0.000 0.987 354 E CA 1.317 57.711 56.400 -0.010 0.000 0.799 354 E CB -0.328 29.366 29.700 -0.009 0.000 0.752 354 E HN 0.601 nan 8.360 nan 0.000 0.449 355 E N 0.655 120.850 120.200 -0.009 0.000 2.479 355 E HA 0.261 4.611 4.350 -0.000 0.000 0.193 355 E C 0.111 176.708 176.600 -0.006 0.000 1.049 355 E CA 0.124 56.520 56.400 -0.007 0.000 0.870 355 E CB 0.405 30.100 29.700 -0.008 0.000 0.944 355 E HN 0.072 nan 8.360 nan 0.000 0.492 356 A N 1.699 124.514 122.820 -0.008 0.000 2.515 356 A HA 0.060 4.380 4.320 -0.000 0.000 0.263 356 A C 1.383 178.968 177.584 0.002 0.000 1.096 356 A CA 0.232 52.265 52.037 -0.006 0.000 0.769 356 A CB -0.165 18.827 19.000 -0.014 0.000 1.040 356 A HN 0.287 nan 8.150 nan 0.000 0.505 357 T N 0.007 114.566 114.554 0.008 0.000 3.051 357 T HA 0.195 4.545 4.350 -0.000 0.000 0.255 357 T C 0.914 175.626 174.700 0.020 0.000 1.085 357 T CA 0.765 62.872 62.100 0.012 0.000 1.109 357 T CB -0.061 68.814 68.868 0.011 0.000 0.921 357 T HN 0.719 nan 8.240 nan 0.000 0.488 358 S N -0.336 115.382 115.700 0.029 0.000 2.568 358 S HA 0.362 4.832 4.470 -0.000 0.000 0.302 358 S C 0.295 174.925 174.600 0.050 0.000 1.082 358 S CA -0.707 57.521 58.200 0.047 0.000 1.009 358 S CB 1.645 64.887 63.200 0.071 0.000 1.069 358 S HN 0.102 nan 8.310 nan 0.000 0.500 359 D N 1.172 121.610 120.400 0.063 0.000 2.123 359 D HA -0.090 4.549 4.640 -0.000 0.000 0.200 359 D C 1.364 177.705 176.300 0.068 0.000 0.976 359 D CA 1.262 55.294 54.000 0.054 0.000 0.831 359 D CB -0.229 40.604 40.800 0.056 0.000 0.974 359 D HN 0.733 nan 8.370 nan 0.000 0.469 360 Y N 2.232 122.532 120.300 -0.000 0.000 2.151 360 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 360 Y C 1.800 177.695 175.900 -0.008 0.000 1.166 360 Y CA 1.694 59.794 58.100 -0.000 0.000 1.163 360 Y CB -0.111 38.351 38.460 0.003 0.000 0.974 360 Y HN -0.067 nan 8.280 nan 0.000 0.511 361 D N -0.565 119.844 120.400 0.014 0.000 2.264 361 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 361 D C 2.127 178.364 176.300 -0.105 0.000 0.966 361 D CA 0.807 54.771 54.000 -0.060 0.000 0.864 361 D CB -0.101 40.708 40.800 0.016 0.000 0.933 361 D HN 0.411 nan 8.370 nan 0.000 0.499 362 R N 0.927 121.380 120.500 -0.079 0.000 2.064 362 R HA -0.109 4.231 4.340 -0.000 0.000 0.228 362 R C 2.283 178.519 176.300 -0.106 0.000 1.144 362 R CA 1.131 57.188 56.100 -0.071 0.000 0.932 362 R CB 0.143 30.421 30.300 -0.037 0.000 0.833 362 R HN 0.077 nan 8.270 nan 0.000 0.429 363 E N 0.955 121.075 120.200 -0.134 0.000 2.070 363 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 363 E C 1.723 178.217 176.600 -0.176 0.000 1.004 363 E CA 1.089 57.405 56.400 -0.139 0.000 0.805 363 E CB -0.263 29.353 29.700 -0.140 0.000 0.744 363 E HN 0.212 nan 8.360 nan 0.000 0.451 364 K N 0.660 120.888 120.400 -0.286 0.000 2.281 364 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 364 K C 2.300 178.804 176.600 -0.159 0.000 1.046 364 K CA 0.653 56.779 56.287 -0.268 0.000 0.938 364 K CB -0.208 32.060 32.500 -0.385 0.000 0.737 364 K HN 0.273 nan 8.250 nan 0.000 0.458 365 L N -0.198 120.947 121.223 -0.131 0.000 2.221 365 L HA -0.016 4.324 4.340 -0.000 0.000 0.202 365 L C 2.257 179.086 176.870 -0.068 0.000 1.074 365 L CA 0.493 55.280 54.840 -0.088 0.000 0.795 365 L CB -0.348 41.667 42.059 -0.073 0.000 0.960 365 L HN 0.052 nan 8.230 nan 0.000 0.458 366 Q N 0.262 120.022 119.800 -0.067 0.000 2.291 366 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 366 Q C 1.877 177.850 176.000 -0.044 0.000 0.976 366 Q CA 1.178 56.952 55.803 -0.048 0.000 0.875 366 Q CB 0.064 28.776 28.738 -0.044 0.000 0.927 366 Q HN 0.490 nan 8.270 nan 0.000 0.450 367 E N 0.025 120.192 120.200 -0.056 0.000 2.112 367 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 367 E C 1.894 178.473 176.600 -0.035 0.000 0.979 367 E CA 0.408 56.783 56.400 -0.043 0.000 0.814 367 E CB 0.211 29.879 29.700 -0.053 0.000 0.762 367 E HN 0.235 nan 8.360 nan 0.000 0.460 368 R N 0.422 120.894 120.500 -0.047 0.000 2.090 368 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 368 R C 2.660 178.941 176.300 -0.032 0.000 1.110 368 R CA 1.262 57.336 56.100 -0.042 0.000 0.973 368 R CB -0.379 29.888 30.300 -0.055 0.000 0.869 368 R HN 0.176 nan 8.270 nan 0.000 0.440 369 V N -1.220 118.675 119.914 -0.031 0.000 2.307 369 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 369 V C 2.340 178.424 176.094 -0.017 0.000 1.045 369 V CA 1.793 64.079 62.300 -0.024 0.000 1.024 369 V CB -1.052 30.757 31.823 -0.024 0.000 0.651 369 V HN 0.209 nan 8.190 nan 0.000 0.449 370 A N 0.449 123.260 122.820 -0.016 0.000 1.908 370 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 370 A C 2.343 179.926 177.584 -0.003 0.000 1.181 370 A CA 2.398 54.430 52.037 -0.009 0.000 0.627 370 A CB -0.685 18.309 19.000 -0.010 0.000 0.818 370 A HN 0.638 nan 8.150 nan 0.000 0.445 371 K N -1.283 119.117 120.400 -0.000 0.000 2.026 371 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 371 K C 1.924 178.530 176.600 0.009 0.000 1.048 371 K CA 1.431 57.725 56.287 0.012 0.000 0.929 371 K CB -0.264 32.247 32.500 0.019 0.000 0.713 371 K HN 0.362 nan 8.250 nan 0.000 0.439 372 L N 0.190 121.412 121.223 -0.002 0.000 2.049 372 L HA 0.025 4.365 4.340 -0.000 0.000 0.203 372 L C 1.979 178.846 176.870 -0.004 0.000 1.074 372 L CA 1.766 56.604 54.840 -0.005 0.000 0.749 372 L CB -0.593 41.458 42.059 -0.014 0.000 0.907 372 L HN 0.098 nan 8.230 nan 0.000 0.439 373 A N -1.409 121.407 122.820 -0.006 0.000 2.132 373 A HA 0.220 4.540 4.320 -0.000 0.000 0.213 373 A C 2.136 179.718 177.584 -0.004 0.000 1.154 373 A CA 0.753 52.786 52.037 -0.006 0.000 0.753 373 A CB -0.925 18.069 19.000 -0.009 0.000 0.826 373 A HN 0.466 nan 8.150 nan 0.000 0.469 374 G N -0.497 108.301 108.800 -0.003 0.000 2.464 374 G HA2 0.369 4.329 3.960 -0.000 0.000 0.217 374 G HA3 0.369 4.329 3.960 -0.000 0.000 0.217 374 G C 1.110 176.010 174.900 -0.000 0.000 1.138 374 G CA 0.665 45.764 45.100 -0.002 0.000 0.793 374 G HN 1.545 nan 8.290 nan 0.000 0.539 375 G N -1.498 107.303 108.800 0.002 0.000 2.806 375 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.236 375 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.236 375 G C -0.597 174.304 174.900 0.001 0.000 1.387 375 G CA -0.208 44.894 45.100 0.003 0.000 0.884 375 G HN 0.980 nan 8.290 nan 0.000 0.560 376 V N 0.276 120.190 119.914 -0.001 0.000 2.638 376 V HA 0.736 4.856 4.120 -0.000 0.000 0.306 376 V C 0.692 176.781 176.094 -0.008 0.000 1.052 376 V CA -0.099 62.198 62.300 -0.005 0.000 0.885 376 V CB 1.662 33.483 31.823 -0.004 0.000 0.999 376 V HN 2.041 nan 8.190 nan 0.000 0.424 377 A N 4.330 127.144 122.820 -0.011 0.000 2.269 377 A HA 0.704 5.024 4.320 -0.000 0.000 0.302 377 A C -0.186 177.389 177.584 -0.015 0.000 1.266 377 A CA -0.345 51.685 52.037 -0.012 0.000 0.894 377 A CB 0.792 19.784 19.000 -0.013 0.000 1.147 377 A HN 1.382 nan 8.150 nan 0.000 0.537 378 V N 1.941 121.847 119.914 -0.013 0.000 2.539 378 V HA 0.740 4.860 4.120 -0.000 0.000 0.292 378 V C -0.332 175.754 176.094 -0.013 0.000 1.045 378 V CA -0.643 61.648 62.300 -0.014 0.000 0.945 378 V CB 1.128 32.943 31.823 -0.013 0.000 0.993 378 V HN 0.609 nan 8.190 nan 0.000 0.464 379 I N 4.887 125.448 120.570 -0.014 0.000 2.405 379 I HA 0.401 4.571 4.170 -0.000 0.000 0.280 379 I C 0.209 176.321 176.117 -0.010 0.000 1.027 379 I CA -0.558 60.736 61.300 -0.011 0.000 1.161 379 I CB 1.257 39.250 38.000 -0.012 0.000 1.300 379 I HN 0.649 nan 8.210 nan 0.000 0.463 380 K N 5.221 125.616 120.400 -0.008 0.000 2.383 380 K HA 0.300 4.620 4.320 -0.000 0.000 0.286 380 K C -0.502 176.095 176.600 -0.006 0.000 1.051 380 K CA -0.310 55.972 56.287 -0.007 0.000 0.974 380 K CB 1.413 33.908 32.500 -0.007 0.000 0.968 380 K HN 0.297 nan 8.250 nan 0.000 0.475 381 V N 2.884 122.795 119.914 -0.005 0.000 2.383 381 V HA 0.272 4.392 4.120 -0.000 0.000 0.275 381 V C 0.721 176.813 176.094 -0.003 0.000 1.036 381 V CA -0.581 61.717 62.300 -0.003 0.000 0.889 381 V CB 1.340 33.161 31.823 -0.002 0.000 0.985 381 V HN 0.917 nan 8.190 nan 0.000 0.459 382 G N 3.032 111.830 108.800 -0.003 0.000 2.417 382 G HA2 0.850 4.810 3.960 -0.000 0.000 0.334 382 G HA3 0.850 4.810 3.960 -0.000 0.000 0.334 382 G C -0.523 174.376 174.900 -0.002 0.000 1.150 382 G CA 0.138 45.236 45.100 -0.003 0.000 0.923 382 G HN 1.193 nan 8.290 nan 0.000 0.485 383 A N -0.403 122.416 122.820 -0.002 0.000 2.467 383 A HA 0.794 5.114 4.320 -0.000 0.000 0.301 383 A C 0.687 178.270 177.584 -0.002 0.000 1.126 383 A CA 0.421 52.457 52.037 -0.002 0.000 0.632 383 A CB 0.350 19.349 19.000 -0.002 0.000 1.331 383 A HN 1.804 nan 8.150 nan 0.000 0.482 384 A N -0.969 121.850 122.820 -0.002 0.000 2.030 384 A HA 0.515 4.835 4.320 -0.000 0.000 0.215 384 A C 1.115 178.698 177.584 -0.002 0.000 1.164 384 A CA 2.030 54.066 52.037 -0.002 0.000 0.697 384 A CB -0.257 18.742 19.000 -0.002 0.000 0.827 384 A HN 2.135 nan 8.150 nan 0.000 0.457 385 T N -2.568 111.985 114.554 -0.002 0.000 2.916 385 T HA 0.351 4.701 4.350 -0.000 0.000 0.305 385 T C 0.487 175.186 174.700 -0.001 0.000 1.119 385 T CA 0.079 62.178 62.100 -0.001 0.000 1.008 385 T CB 1.627 70.494 68.868 -0.001 0.000 1.129 385 T HN 0.278 nan 8.240 nan 0.000 0.480 386 E N 1.747 121.946 120.200 -0.001 0.000 2.049 386 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 386 E C 1.926 178.526 176.600 -0.001 0.000 1.007 386 E CA 2.242 58.642 56.400 -0.001 0.000 0.809 386 E CB -0.251 29.448 29.700 -0.002 0.000 0.749 386 E HN 0.614 nan 8.360 nan 0.000 0.450 387 V N 1.070 120.984 119.914 -0.001 0.000 2.370 387 V HA -0.289 3.831 4.120 -0.000 0.000 0.252 387 V C 2.395 178.488 176.094 -0.001 0.000 1.068 387 V CA 2.413 64.712 62.300 -0.001 0.000 1.061 387 V CB -0.714 31.109 31.823 -0.001 0.000 0.656 387 V HN 0.360 nan 8.190 nan 0.000 0.455 388 E N -0.848 119.351 120.200 -0.001 0.000 2.158 388 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 388 E C 2.146 178.746 176.600 -0.001 0.000 0.982 388 E CA 0.861 57.261 56.400 -0.001 0.000 0.823 388 E CB 0.003 29.702 29.700 -0.001 0.000 0.766 388 E HN 0.570 nan 8.360 nan 0.000 0.468 389 M N 0.419 120.019 119.600 -0.001 0.000 2.276 389 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 389 M C 1.979 178.279 176.300 0.000 0.000 1.098 389 M CA 1.238 56.537 55.300 -0.001 0.000 1.167 389 M CB -0.087 32.512 32.600 -0.001 0.000 1.337 389 M HN -0.140 nan 8.290 nan 0.000 0.446 390 K N 0.297 120.697 120.400 0.000 0.000 2.360 390 K HA -0.176 4.143 4.320 -0.000 0.000 0.201 390 K C 1.888 178.489 176.600 0.002 0.000 1.046 390 K CA 0.919 57.206 56.287 0.001 0.000 0.945 390 K CB 0.030 32.531 32.500 0.000 0.000 0.750 390 K HN 0.371 nan 8.250 nan 0.000 0.464 391 E N 1.423 121.624 120.200 0.001 0.000 2.014 391 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 391 E C 1.791 178.392 176.600 0.003 0.000 0.980 391 E CA 1.225 57.626 56.400 0.002 0.000 0.807 391 E CB -0.025 29.676 29.700 0.001 0.000 0.770 391 E HN 0.111 nan 8.360 nan 0.000 0.451 392 K N 1.154 121.556 120.400 0.002 0.000 2.089 392 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 392 K C 2.337 178.940 176.600 0.004 0.000 1.048 392 K CA 2.095 58.384 56.287 0.002 0.000 0.926 392 K CB -0.202 32.299 32.500 0.001 0.000 0.714 392 K HN -0.021 nan 8.250 nan 0.000 0.448 393 K N 0.086 120.488 120.400 0.004 0.000 2.032 393 K HA -0.257 4.063 4.320 -0.000 0.000 0.218 393 K C 1.986 178.592 176.600 0.010 0.000 1.054 393 K CA 1.926 58.216 56.287 0.005 0.000 0.941 393 K CB -0.390 32.113 32.500 0.004 0.000 0.720 393 K HN 0.278 nan 8.250 nan 0.000 0.449 394 A N 1.215 124.042 122.820 0.011 0.000 1.908 394 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 394 A C 2.199 179.795 177.584 0.021 0.000 1.181 394 A CA 1.845 53.892 52.037 0.017 0.000 0.627 394 A CB -0.631 18.377 19.000 0.013 0.000 0.818 394 A HN 0.455 nan 8.150 nan 0.000 0.445 395 R N -0.755 119.754 120.500 0.014 0.000 2.096 395 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 395 R C 2.011 178.322 176.300 0.018 0.000 1.127 395 R CA 1.545 57.654 56.100 0.014 0.000 0.968 395 R CB -0.351 29.953 30.300 0.008 0.000 0.861 395 R HN 0.372 nan 8.270 nan 0.000 0.440 396 V N 0.877 120.800 119.914 0.015 0.000 2.270 396 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 396 V C 1.913 178.020 176.094 0.022 0.000 1.043 396 V CA 1.883 64.191 62.300 0.014 0.000 1.014 396 V CB -0.403 31.423 31.823 0.006 0.000 0.645 396 V HN 0.400 nan 8.190 nan 0.000 0.447 397 E N -0.284 119.933 120.200 0.028 0.000 2.187 397 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 397 E C 1.928 178.596 176.600 0.113 0.000 1.004 397 E CA 1.567 57.997 56.400 0.049 0.000 0.813 397 E CB -0.154 29.579 29.700 0.055 0.000 0.736 397 E HN 0.619 nan 8.360 nan 0.000 0.468 398 D N -0.104 120.349 120.400 0.088 0.000 2.084 398 D HA -0.104 4.536 4.640 -0.000 0.000 0.196 398 D C 1.927 178.282 176.300 0.092 0.000 0.985 398 D CA 1.295 55.348 54.000 0.088 0.000 0.826 398 D CB -0.167 40.657 40.800 0.039 0.000 0.978 398 D HN 0.157 nan 8.370 nan 0.000 0.456 399 A N 1.003 123.857 122.820 0.057 0.000 1.898 399 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 399 A C 2.314 179.929 177.584 0.051 0.000 1.181 399 A CA 0.877 52.940 52.037 0.045 0.000 0.620 399 A CB -0.868 18.146 19.000 0.024 0.000 0.819 399 A HN 0.245 nan 8.150 nan 0.000 0.442 400 L N -1.173 120.073 121.223 0.037 0.000 1.990 400 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 400 L C 2.619 179.495 176.870 0.010 0.000 1.072 400 L CA 2.245 57.086 54.840 0.002 0.000 0.755 400 L CB -0.508 41.528 42.059 -0.038 0.000 0.889 400 L HN 0.513 nan 8.230 nan 0.000 0.432 401 H N -0.239 118.831 119.070 -0.001 0.000 2.252 401 H HA -0.234 4.322 4.556 -0.000 0.000 0.292 401 H C 2.087 177.416 175.328 0.003 0.000 1.082 401 H CA 2.046 58.094 56.048 0.001 0.000 1.229 401 H CB -0.415 29.347 29.762 0.000 0.000 1.353 401 H HN 0.564 nan 8.280 nan 0.000 0.488 402 A N -0.288 122.625 122.820 0.155 0.000 2.067 402 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 402 A C 2.621 180.240 177.584 0.058 0.000 1.158 402 A CA 1.700 53.787 52.037 0.083 0.000 0.661 402 A CB -0.546 18.484 19.000 0.051 0.000 0.801 402 A HN 0.449 nan 8.150 nan 0.000 0.452 403 T N -0.559 114.025 114.554 0.050 0.000 2.770 403 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 403 T C 2.059 176.775 174.700 0.027 0.000 1.039 403 T CA 1.338 63.456 62.100 0.029 0.000 1.142 403 T CB -0.201 68.678 68.868 0.018 0.000 0.868 403 T HN 0.494 nan 8.240 nan 0.000 0.435 404 R N 0.769 121.285 120.500 0.027 0.000 2.139 404 R HA -0.036 4.304 4.340 -0.000 0.000 0.243 404 R C 2.464 178.784 176.300 0.033 0.000 1.145 404 R CA 1.306 57.417 56.100 0.019 0.000 0.976 404 R CB -0.280 30.025 30.300 0.007 0.000 0.866 404 R HN 0.345 nan 8.270 nan 0.000 0.449 405 A N -0.126 122.724 122.820 0.050 0.000 2.123 405 A HA 0.143 4.463 4.320 -0.000 0.000 0.214 405 A C 2.016 179.620 177.584 0.034 0.000 1.152 405 A CA 1.020 53.086 52.037 0.048 0.000 0.728 405 A CB -0.035 19.002 19.000 0.061 0.000 0.814 405 A HN 0.372 nan 8.150 nan 0.000 0.464 406 A N -0.475 122.362 122.820 0.029 0.000 1.887 406 A HA 0.144 4.464 4.320 -0.000 0.000 0.212 406 A C 2.012 179.607 177.584 0.018 0.000 1.198 406 A CA 1.206 53.257 52.037 0.022 0.000 0.628 406 A CB -0.849 18.163 19.000 0.020 0.000 0.847 406 A HN 0.331 nan 8.150 nan 0.000 0.449 407 V N 0.632 120.556 119.914 0.017 0.000 2.428 407 V HA -0.347 3.773 4.120 -0.000 0.000 0.255 407 V C 2.347 178.450 176.094 0.014 0.000 1.080 407 V CA 2.536 64.844 62.300 0.013 0.000 1.083 407 V CB -0.873 30.956 31.823 0.011 0.000 0.665 407 V HN 0.634 nan 8.190 nan 0.000 0.461 408 E N -0.660 119.550 120.200 0.018 0.000 2.060 408 E HA -0.062 4.288 4.350 -0.000 0.000 0.189 408 E C 1.583 178.193 176.600 0.016 0.000 0.974 408 E CA 0.990 57.400 56.400 0.018 0.000 0.808 408 E CB 0.093 29.806 29.700 0.022 0.000 0.768 408 E HN 0.648 nan 8.360 nan 0.000 0.453 409 E N -0.542 119.668 120.200 0.018 0.000 2.759 409 E HA 0.232 4.582 4.350 -0.000 0.000 0.220 409 E C -0.009 176.600 176.600 0.015 0.000 0.974 409 E CA 0.061 56.471 56.400 0.016 0.000 1.148 409 E CB 1.697 31.407 29.700 0.016 0.000 1.059 409 E HN 0.245 nan 8.360 nan 0.000 0.493 410 G N 1.139 109.948 108.800 0.016 0.000 2.698 410 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.225 410 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.225 410 G C -0.382 174.528 174.900 0.016 0.000 1.345 410 G CA -0.470 44.639 45.100 0.015 0.000 0.871 410 G HN 0.515 nan 8.290 nan 0.000 0.540 411 V N -2.657 117.266 119.914 0.016 0.000 3.040 411 V HA 0.999 5.119 4.120 -0.000 0.000 0.312 411 V C 0.450 176.554 176.094 0.017 0.000 1.115 411 V CA 0.212 62.521 62.300 0.016 0.000 0.998 411 V CB 1.451 33.282 31.823 0.015 0.000 1.042 411 V HN 2.520 nan 8.190 nan 0.000 0.433 412 V N -0.668 119.256 119.914 0.017 0.000 3.181 412 V HA 0.989 5.109 4.120 -0.000 0.000 0.308 412 V C 0.510 176.615 176.094 0.018 0.000 1.214 412 V CA -0.852 61.459 62.300 0.019 0.000 1.053 412 V CB 1.144 32.980 31.823 0.021 0.000 1.069 412 V HN 2.343 nan 8.190 nan 0.000 0.441 413 A N 0.635 123.468 122.820 0.022 0.000 2.572 413 A HA 0.397 4.717 4.320 -0.000 0.000 0.256 413 A C 1.430 179.020 177.584 0.010 0.000 1.041 413 A CA 0.756 52.803 52.037 0.017 0.000 0.790 413 A CB -0.557 18.459 19.000 0.026 0.000 0.947 413 A HN 2.107 nan 8.150 nan 0.000 0.518 414 G N 2.084 110.884 108.800 -0.000 0.000 2.985 414 G HA2 0.258 4.218 3.960 -0.000 0.000 0.209 414 G HA3 0.258 4.218 3.960 -0.000 0.000 0.209 414 G C 0.891 175.788 174.900 -0.005 0.000 1.165 414 G CA 0.694 45.792 45.100 -0.003 0.000 0.776 414 G HN 1.190 nan 8.290 nan 0.000 0.541 415 G N -0.095 108.702 108.800 -0.004 0.000 3.440 415 G HA2 0.398 4.358 3.960 -0.000 0.000 0.263 415 G HA3 0.398 4.358 3.960 -0.000 0.000 0.263 415 G C 1.229 176.139 174.900 0.018 0.000 1.236 415 G CA 0.287 45.388 45.100 0.001 0.000 0.927 415 G HN 1.055 nan 8.290 nan 0.000 0.530 416 G N -0.691 108.118 108.800 0.015 0.000 2.180 416 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.263 416 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.263 416 G C 1.267 176.183 174.900 0.025 0.000 0.989 416 G CA 0.687 45.798 45.100 0.020 0.000 0.692 416 G HN 0.523 nan 8.290 nan 0.000 0.526 417 V N 0.565 120.494 119.914 0.025 0.000 2.261 417 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 417 V C 3.292 179.408 176.094 0.035 0.000 1.047 417 V CA 2.817 65.136 62.300 0.032 0.000 1.015 417 V CB -1.392 30.446 31.823 0.025 0.000 0.642 417 V HN 1.016 nan 8.190 nan 0.000 0.446 418 A N 0.321 123.159 122.820 0.030 0.000 1.894 418 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 418 A C 2.225 179.826 177.584 0.029 0.000 1.237 418 A CA 2.447 54.502 52.037 0.030 0.000 0.660 418 A CB -0.861 18.153 19.000 0.024 0.000 0.835 418 A HN 0.391 nan 8.150 nan 0.000 0.461 419 L N -0.508 120.730 121.223 0.026 0.000 2.042 419 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 419 L C 2.525 179.411 176.870 0.026 0.000 1.076 419 L CA 1.585 56.439 54.840 0.024 0.000 0.749 419 L CB -1.066 41.006 42.059 0.022 0.000 0.893 419 L HN 0.407 nan 8.230 nan 0.000 0.432 420 I N -0.736 119.853 120.570 0.030 0.000 2.286 420 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 420 I C 2.673 178.812 176.117 0.037 0.000 1.115 420 I CA 0.885 62.205 61.300 0.033 0.000 1.392 420 I CB -0.439 37.585 38.000 0.039 0.000 1.065 420 I HN 0.309 nan 8.210 nan 0.000 0.418 421 R N 1.259 121.784 120.500 0.041 0.000 2.070 421 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 421 R C 2.359 178.680 176.300 0.034 0.000 1.138 421 R CA 2.319 58.446 56.100 0.045 0.000 0.936 421 R CB -0.695 29.636 30.300 0.051 0.000 0.839 421 R HN 0.305 nan 8.270 nan 0.000 0.429 422 V N -1.187 118.745 119.914 0.029 0.000 2.407 422 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 422 V C 2.169 178.275 176.094 0.020 0.000 1.055 422 V CA 1.858 64.171 62.300 0.022 0.000 1.049 422 V CB -1.283 30.551 31.823 0.019 0.000 0.662 422 V HN 0.384 nan 8.190 nan 0.000 0.455 423 A N 1.355 124.187 122.820 0.021 0.000 2.019 423 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 423 A C 2.570 180.164 177.584 0.018 0.000 1.164 423 A CA 2.332 54.379 52.037 0.018 0.000 0.644 423 A CB -0.886 18.125 19.000 0.017 0.000 0.805 423 A HN 0.995 nan 8.150 nan 0.000 0.449 424 S N -0.474 115.239 115.700 0.022 0.000 2.436 424 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 424 S C 1.791 176.402 174.600 0.018 0.000 1.014 424 S CA 1.003 59.216 58.200 0.021 0.000 0.950 424 S CB -0.218 62.999 63.200 0.028 0.000 0.784 424 S HN 0.586 nan 8.310 nan 0.000 0.504 425 K N 1.177 121.588 120.400 0.019 0.000 2.001 425 K HA 0.016 4.336 4.320 -0.000 0.000 0.208 425 K C 0.730 177.337 176.600 0.012 0.000 1.048 425 K CA 1.321 57.617 56.287 0.016 0.000 0.932 425 K CB -0.588 31.922 32.500 0.016 0.000 0.715 425 K HN 0.487 nan 8.250 nan 0.000 0.437 426 L N -0.609 120.621 121.223 0.011 0.000 2.934 426 L HA 0.334 4.674 4.340 -0.000 0.000 0.233 426 L C 0.969 177.844 176.870 0.008 0.000 1.358 426 L CA -0.120 54.725 54.840 0.009 0.000 1.233 426 L CB 0.320 42.384 42.059 0.008 0.000 1.594 426 L HN -0.086 nan 8.230 nan 0.000 0.439 427 A N -1.103 121.722 122.820 0.008 0.000 2.169 427 A HA 0.030 4.350 4.320 -0.000 0.000 0.212 427 A C 1.607 179.194 177.584 0.006 0.000 1.153 427 A CA 0.519 52.561 52.037 0.007 0.000 0.756 427 A CB -0.123 18.882 19.000 0.008 0.000 0.813 427 A HN 0.469 nan 8.150 nan 0.000 0.471 428 D N -0.794 119.609 120.400 0.005 0.000 2.333 428 D HA 0.058 4.698 4.640 -0.000 0.000 0.208 428 D C 0.523 176.825 176.300 0.004 0.000 0.984 428 D CA -0.062 53.940 54.000 0.004 0.000 0.873 428 D CB -0.218 40.584 40.800 0.003 0.000 0.935 428 D HN 0.314 nan 8.370 nan 0.000 0.521 429 L N 2.281 123.506 121.223 0.004 0.000 2.737 429 L HA -0.101 4.239 4.340 -0.000 0.000 0.279 429 L C 0.359 177.230 176.870 0.003 0.000 1.200 429 L CA 0.732 55.574 54.840 0.003 0.000 0.952 429 L CB -0.011 42.050 42.059 0.004 0.000 1.240 429 L HN -0.204 nan 8.230 nan 0.000 0.486 430 R N 3.163 123.664 120.500 0.002 0.000 2.875 430 R HA 0.831 5.171 4.340 -0.000 0.000 0.251 430 R C 0.147 176.448 176.300 0.002 0.000 1.123 430 R CA -0.279 55.822 56.100 0.002 0.000 1.064 430 R CB 1.226 31.527 30.300 0.002 0.000 1.205 430 R HN 0.778 nan 8.270 nan 0.000 0.503 431 G N -0.402 108.399 108.800 0.002 0.000 3.243 431 G HA2 0.340 4.300 3.960 -0.000 0.000 0.248 431 G HA3 0.340 4.300 3.960 -0.000 0.000 0.248 431 G C -0.348 174.552 174.900 0.001 0.000 1.267 431 G CA -0.147 44.954 45.100 0.001 0.000 0.906 431 G HN 0.322 nan 8.290 nan 0.000 0.592 432 Q N -0.352 119.449 119.800 0.001 0.000 2.389 432 Q HA 0.175 4.515 4.340 -0.000 0.000 0.201 432 Q C 1.160 177.160 176.000 0.001 0.000 0.956 432 Q CA 0.068 55.871 55.803 0.001 0.000 0.871 432 Q CB -0.185 28.554 28.738 0.001 0.000 0.990 432 Q HN 0.542 nan 8.270 nan 0.000 0.554 433 N N 1.298 119.998 118.700 0.001 0.000 2.458 433 N HA -0.069 4.671 4.740 -0.000 0.000 0.258 433 N C 0.343 175.853 175.510 0.001 0.000 1.219 433 N CA -0.044 53.006 53.050 0.001 0.000 0.902 433 N CB 0.602 39.089 38.487 0.001 0.000 1.076 433 N HN 0.265 nan 8.380 nan 0.000 0.455 434 E N 1.644 121.845 120.200 0.001 0.000 2.409 434 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 434 E C 0.225 176.826 176.600 0.002 0.000 1.024 434 E CA 0.886 57.287 56.400 0.001 0.000 0.861 434 E CB 0.134 29.835 29.700 0.001 0.000 0.788 434 E HN 0.553 nan 8.360 nan 0.000 0.521 435 D N 1.178 121.579 120.400 0.002 0.000 2.178 435 D HA -0.161 4.479 4.640 -0.000 0.000 0.202 435 D C 1.798 178.099 176.300 0.003 0.000 0.974 435 D CA 0.970 54.971 54.000 0.002 0.000 0.841 435 D CB -0.087 40.715 40.800 0.002 0.000 0.953 435 D HN 0.346 nan 8.370 nan 0.000 0.478 436 Q N -0.017 119.784 119.800 0.002 0.000 2.245 436 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 436 Q C 1.623 177.624 176.000 0.003 0.000 0.955 436 Q CA 0.538 56.343 55.803 0.003 0.000 0.870 436 Q CB 0.270 29.010 28.738 0.002 0.000 0.945 436 Q HN 0.095 nan 8.270 nan 0.000 0.461 437 N N -0.411 118.290 118.700 0.002 0.000 2.106 437 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 437 N C 1.742 177.254 175.510 0.003 0.000 1.029 437 N CA 1.057 54.109 53.050 0.003 0.000 0.848 437 N CB -0.368 38.120 38.487 0.002 0.000 1.007 437 N HN 0.042 nan 8.380 nan 0.000 0.423 438 V N 1.053 120.969 119.914 0.003 0.000 2.324 438 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 438 V C 2.343 178.440 176.094 0.004 0.000 1.060 438 V CA 2.135 64.437 62.300 0.003 0.000 1.042 438 V CB -1.236 30.589 31.823 0.003 0.000 0.650 438 V HN 0.392 nan 8.190 nan 0.000 0.450 439 G N -0.191 108.612 108.800 0.004 0.000 2.418 439 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 439 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 439 G C 1.508 176.411 174.900 0.005 0.000 1.158 439 G CA 1.132 46.235 45.100 0.005 0.000 0.771 439 G HN 0.535 nan 8.290 nan 0.000 0.545 440 I N 0.216 120.788 120.570 0.004 0.000 2.142 440 I HA -0.087 4.083 4.170 -0.000 0.000 0.240 440 I C 2.668 178.788 176.117 0.005 0.000 1.078 440 I CA 1.132 62.434 61.300 0.004 0.000 1.343 440 I CB -0.178 37.824 38.000 0.004 0.000 1.046 440 I HN -0.055 nan 8.210 nan 0.000 0.405 441 K N 0.804 121.207 120.400 0.005 0.000 2.103 441 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 441 K C 2.017 178.621 176.600 0.006 0.000 1.048 441 K CA 0.989 57.279 56.287 0.005 0.000 0.930 441 K CB -0.685 31.818 32.500 0.004 0.000 0.716 441 K HN 0.118 nan 8.250 nan 0.000 0.444 442 V N 0.493 120.411 119.914 0.006 0.000 2.255 442 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 442 V C 2.171 178.270 176.094 0.008 0.000 1.051 442 V CA 2.197 64.501 62.300 0.007 0.000 1.018 442 V CB -0.740 31.087 31.823 0.007 0.000 0.641 442 V HN 0.409 nan 8.190 nan 0.000 0.445 443 A N -0.961 121.863 122.820 0.008 0.000 1.969 443 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 443 A C 2.210 179.799 177.584 0.009 0.000 1.169 443 A CA 1.516 53.559 52.037 0.009 0.000 0.635 443 A CB -0.449 18.556 19.000 0.008 0.000 0.810 443 A HN 0.496 nan 8.150 nan 0.000 0.445 444 L N -1.177 120.051 121.223 0.008 0.000 1.994 444 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 444 L C 2.809 179.685 176.870 0.010 0.000 1.071 444 L CA 1.850 56.696 54.840 0.009 0.000 0.745 444 L CB -0.416 41.648 42.059 0.009 0.000 0.892 444 L HN 0.427 nan 8.230 nan 0.000 0.431 445 R N 0.029 120.535 120.500 0.009 0.000 2.237 445 R HA -0.108 4.232 4.340 -0.000 0.000 0.219 445 R C 1.965 178.270 176.300 0.009 0.000 1.080 445 R CA 0.990 57.096 56.100 0.009 0.000 0.995 445 R CB -0.049 30.255 30.300 0.007 0.000 0.875 445 R HN 0.350 nan 8.270 nan 0.000 0.462 446 A N -0.106 122.720 122.820 0.010 0.000 2.206 446 A HA 0.006 4.326 4.320 -0.000 0.000 0.211 446 A C 1.752 179.344 177.584 0.013 0.000 1.158 446 A CA 0.457 52.501 52.037 0.012 0.000 0.761 446 A CB -0.094 18.913 19.000 0.012 0.000 0.801 446 A HN 0.300 nan 8.150 nan 0.000 0.473 447 M N -0.612 118.996 119.600 0.014 0.000 2.541 447 M HA 0.010 4.490 4.480 -0.000 0.000 0.252 447 M C 0.958 177.268 176.300 0.016 0.000 1.125 447 M CA 0.612 55.921 55.300 0.016 0.000 1.091 447 M CB -0.002 32.607 32.600 0.016 0.000 1.420 447 M HN 0.419 nan 8.290 nan 0.000 0.486 448 E N 0.638 120.847 120.200 0.015 0.000 2.502 448 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 448 E C 1.798 178.405 176.600 0.012 0.000 1.062 448 E CA 0.266 56.675 56.400 0.014 0.000 0.867 448 E CB 0.081 29.788 29.700 0.012 0.000 0.888 448 E HN 0.440 nan 8.360 nan 0.000 0.510 449 A N 2.482 125.309 122.820 0.012 0.000 1.873 449 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 449 A C -0.265 177.326 177.584 0.011 0.000 1.186 449 A CA 0.887 52.930 52.037 0.010 0.000 0.616 449 A CB -1.163 17.843 19.000 0.011 0.000 0.823 449 A HN 0.126 nan 8.150 nan 0.000 0.442 450 P HA -0.155 nan 4.420 nan 0.000 0.213 450 P C 1.802 179.112 177.300 0.016 0.000 1.170 450 P CA 0.978 64.087 63.100 0.014 0.000 0.898 450 P CB -0.112 31.598 31.700 0.015 0.000 0.787 451 L N -0.467 120.768 121.223 0.020 0.000 1.971 451 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 451 L C 2.460 179.338 176.870 0.014 0.000 1.072 451 L CA 2.017 56.872 54.840 0.024 0.000 0.758 451 L CB -0.680 41.396 42.059 0.029 0.000 0.889 451 L HN -0.266 nan 8.230 nan 0.000 0.433 452 R N -1.082 119.421 120.500 0.006 0.000 2.117 452 R HA -0.244 4.096 4.340 -0.000 0.000 0.243 452 R C 2.334 178.633 176.300 -0.002 0.000 1.143 452 R CA 1.776 57.874 56.100 -0.004 0.000 0.968 452 R CB -0.323 29.974 30.300 -0.004 0.000 0.863 452 R HN 0.483 nan 8.270 nan 0.000 0.444 453 Q N 0.552 120.355 119.800 0.005 0.000 2.020 453 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 453 Q C 1.809 177.815 176.000 0.011 0.000 0.974 453 Q CA 1.538 57.344 55.803 0.006 0.000 0.829 453 Q CB -0.081 28.661 28.738 0.007 0.000 0.894 453 Q HN 0.254 nan 8.270 nan 0.000 0.433 454 I N -0.064 120.517 120.570 0.018 0.000 2.087 454 I HA -0.342 3.828 4.170 -0.000 0.000 0.240 454 I C 2.179 178.320 176.117 0.040 0.000 1.054 454 I CA 1.502 62.819 61.300 0.029 0.000 1.311 454 I CB -1.343 36.681 38.000 0.040 0.000 1.024 454 I HN 0.103 nan 8.210 nan 0.000 0.402 455 V N 0.945 120.885 119.914 0.043 0.000 2.277 455 V HA -0.319 3.800 4.120 -0.000 0.000 0.255 455 V C 2.594 178.692 176.094 0.007 0.000 1.074 455 V CA 2.336 64.648 62.300 0.020 0.000 1.058 455 V CB -0.722 31.065 31.823 -0.060 0.000 0.656 455 V HN 0.357 nan 8.190 nan 0.000 0.449 456 L N 0.363 121.586 121.223 0.001 0.000 2.027 456 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 456 L C 2.190 179.064 176.870 0.005 0.000 1.074 456 L CA 1.835 56.674 54.840 -0.001 0.000 0.745 456 L CB -0.764 41.293 42.059 -0.003 0.000 0.898 456 L HN 0.328 nan 8.230 nan 0.000 0.433 457 N N -0.980 117.725 118.700 0.009 0.000 2.405 457 N HA -0.201 4.539 4.740 -0.000 0.000 0.189 457 N C 1.512 177.029 175.510 0.013 0.000 1.021 457 N CA 1.589 54.645 53.050 0.009 0.000 0.891 457 N CB -0.662 37.830 38.487 0.009 0.000 0.955 457 N HN 0.457 nan 8.380 nan 0.000 0.443 458 C N -1.531 117.782 119.300 0.022 0.000 2.799 458 C HA 0.412 4.872 4.460 -0.000 0.000 0.267 458 C C 1.647 176.650 174.990 0.022 0.000 1.257 458 C CA -0.028 59.006 59.018 0.027 0.000 1.702 458 C CB -0.673 27.099 27.740 0.054 0.000 1.934 458 C HN 0.556 nan 8.230 nan 0.000 0.594 459 G N 1.462 110.270 108.800 0.013 0.000 2.143 459 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.248 459 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.248 459 G C -0.286 174.618 174.900 0.006 0.000 0.991 459 G CA 0.089 45.194 45.100 0.008 0.000 0.689 459 G HN 0.535 nan 8.290 nan 0.000 0.522 460 E N 0.690 120.892 120.200 0.002 0.000 2.283 460 E HA 0.348 4.698 4.350 -0.000 0.000 0.271 460 E C 0.394 176.972 176.600 -0.037 0.000 1.031 460 E CA -0.754 55.636 56.400 -0.017 0.000 0.868 460 E CB 0.689 30.371 29.700 -0.030 0.000 1.094 460 E HN 0.312 nan 8.360 nan 0.000 0.401 461 E N 2.551 122.727 120.200 -0.041 0.000 2.585 461 E HA -0.042 4.308 4.350 -0.000 0.000 0.252 461 E C -1.660 174.901 176.600 -0.064 0.000 0.981 461 E CA -0.951 55.424 56.400 -0.041 0.000 0.943 461 E CB 0.397 30.075 29.700 -0.037 0.000 0.923 461 E HN 0.243 nan 8.360 nan 0.000 0.486 462 P HA -0.085 nan 4.420 nan 0.000 0.215 462 P C 1.382 178.652 177.300 -0.051 0.000 1.157 462 P CA 0.871 63.936 63.100 -0.058 0.000 0.869 462 P CB 0.060 31.741 31.700 -0.033 0.000 0.781 463 S N 0.208 115.889 115.700 -0.031 0.000 2.407 463 S HA -0.243 4.226 4.470 -0.000 0.000 0.244 463 S C 2.077 176.661 174.600 -0.027 0.000 1.077 463 S CA 2.163 60.349 58.200 -0.023 0.000 1.159 463 S CB -2.067 61.123 63.200 -0.016 0.000 1.045 463 S HN -0.037 nan 8.310 nan 0.000 0.438 464 V N 1.367 121.260 119.914 -0.035 0.000 2.307 464 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 464 V C 2.647 178.720 176.094 -0.035 0.000 1.045 464 V CA 1.672 63.954 62.300 -0.030 0.000 1.024 464 V CB -0.641 31.166 31.823 -0.025 0.000 0.651 464 V HN 0.474 nan 8.190 nan 0.000 0.449 465 V N 0.172 120.032 119.914 -0.089 0.000 2.255 465 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 465 V C 2.698 178.776 176.094 -0.027 0.000 1.051 465 V CA 2.220 64.445 62.300 -0.124 0.000 1.018 465 V CB -1.154 30.392 31.823 -0.461 0.000 0.641 465 V HN 0.583 nan 8.190 nan 0.000 0.445 466 A N 0.666 123.464 122.820 -0.036 0.000 1.859 466 A HA -0.372 3.948 4.320 -0.000 0.000 0.217 466 A C 2.059 179.655 177.584 0.021 0.000 1.198 466 A CA 2.694 54.732 52.037 0.002 0.000 0.629 466 A CB -1.149 17.849 19.000 -0.004 0.000 0.830 466 A HN 0.735 nan 8.150 nan 0.000 0.446 467 N N -0.638 118.067 118.700 0.008 0.000 2.192 467 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 467 N C 1.709 177.228 175.510 0.016 0.000 1.013 467 N CA 2.901 55.958 53.050 0.010 0.000 0.863 467 N CB -0.424 38.062 38.487 -0.002 0.000 0.990 467 N HN 0.553 nan 8.380 nan 0.000 0.430 468 T N -2.228 112.333 114.554 0.011 0.000 2.851 468 T HA -0.006 4.344 4.350 -0.000 0.000 0.262 468 T C 1.919 176.670 174.700 0.085 0.000 1.043 468 T CA 1.207 63.300 62.100 -0.012 0.000 1.140 468 T CB -0.769 67.995 68.868 -0.174 0.000 0.872 468 T HN 0.009 nan 8.240 nan 0.000 0.446 469 V N 2.254 122.249 119.914 0.135 0.000 2.282 469 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 469 V C 2.900 179.092 176.094 0.163 0.000 1.057 469 V CA 2.197 64.593 62.300 0.160 0.000 1.032 469 V CB -0.694 31.201 31.823 0.121 0.000 0.645 469 V HN 0.539 nan 8.190 nan 0.000 0.447 470 K N 0.260 120.720 120.400 0.100 0.000 2.074 470 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 470 K C 2.139 178.785 176.600 0.076 0.000 1.048 470 K CA 1.660 57.992 56.287 0.076 0.000 0.926 470 K CB -0.757 31.770 32.500 0.045 0.000 0.713 470 K HN 0.594 nan 8.250 nan 0.000 0.444 471 G N 0.813 109.655 108.800 0.069 0.000 2.625 471 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.214 471 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.214 471 G C 0.678 175.599 174.900 0.035 0.000 1.132 471 G CA 0.670 45.794 45.100 0.039 0.000 0.782 471 G HN 0.360 nan 8.290 nan 0.000 0.538 472 G N -1.158 107.709 108.800 0.112 0.000 2.702 472 G HA2 0.532 4.492 3.960 -0.000 0.000 0.254 472 G HA3 0.532 4.492 3.960 -0.000 0.000 0.254 472 G C -1.140 173.799 174.900 0.065 0.000 1.380 472 G CA -0.511 44.620 45.100 0.051 0.000 1.042 472 G HN 0.097 nan 8.290 nan 0.000 0.557 473 D N -1.798 118.629 120.400 0.046 0.000 2.523 473 D HA 0.512 5.152 4.640 -0.000 0.000 0.236 473 D C 0.932 177.289 176.300 0.095 0.000 1.094 473 D CA 0.625 54.659 54.000 0.057 0.000 0.942 473 D CB 1.999 42.804 40.800 0.007 0.000 1.447 473 D HN 0.803 nan 8.370 nan 0.000 0.479 474 G N 1.596 110.438 108.800 0.071 0.000 2.651 474 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.315 474 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.315 474 G C 0.415 175.374 174.900 0.098 0.000 1.258 474 G CA 0.123 45.266 45.100 0.071 0.000 1.002 474 G HN 0.573 nan 8.290 nan 0.000 0.551 475 N N 0.539 119.301 118.700 0.104 0.000 2.455 475 N HA 0.225 4.965 4.740 -0.000 0.000 0.258 475 N C -0.430 175.172 175.510 0.155 0.000 1.158 475 N CA 0.041 53.153 53.050 0.104 0.000 0.893 475 N CB 0.204 38.733 38.487 0.069 0.000 1.173 475 N HN 0.448 nan 8.380 nan 0.000 0.503 476 Y N 0.674 121.006 120.300 0.052 0.000 2.304 476 Y HA 0.558 5.108 4.550 -0.000 0.000 0.328 476 Y C 0.610 176.573 175.900 0.105 0.000 1.123 476 Y CA -0.336 57.809 58.100 0.075 0.000 1.218 476 Y CB 0.759 39.260 38.460 0.069 0.000 1.207 476 Y HN 0.145 nan 8.280 nan 0.000 0.495 477 G N 3.693 112.234 108.800 -0.431 0.000 2.548 477 G HA2 0.262 4.222 3.960 -0.000 0.000 0.301 477 G HA3 0.262 4.222 3.960 -0.000 0.000 0.301 477 G C -2.551 172.215 174.900 -0.223 0.000 1.349 477 G CA -0.955 43.989 45.100 -0.260 0.000 0.792 477 G HN 0.596 nan 8.290 nan 0.000 0.481 478 Y N 1.402 121.556 120.300 -0.244 0.000 2.331 478 Y HA 0.627 5.177 4.550 -0.000 0.000 0.338 478 Y C -0.165 175.563 175.900 -0.288 0.000 0.992 478 Y CA -1.283 56.564 58.100 -0.422 0.000 1.121 478 Y CB 1.627 39.825 38.460 -0.436 0.000 1.184 478 Y HN 0.472 nan 8.280 nan 0.000 0.469 479 N N 4.944 123.164 118.700 -0.799 0.000 2.500 479 N HA 0.224 4.964 4.740 -0.000 0.000 0.236 479 N C 0.426 175.370 175.510 -0.944 0.000 1.022 479 N CA 0.364 53.053 53.050 -0.603 0.000 0.935 479 N CB 1.232 39.489 38.487 -0.384 0.000 1.147 479 N HN 0.861 nan 8.380 nan 0.000 0.512 480 A N 3.646 126.065 122.820 -0.668 0.000 2.076 480 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 480 A C 1.995 179.433 177.584 -0.244 0.000 1.160 480 A CA 1.782 53.592 52.037 -0.380 0.000 0.653 480 A CB -0.667 18.329 19.000 -0.008 0.000 0.801 480 A HN 0.745 nan 8.150 nan 0.000 0.455 481 A N -0.805 121.883 122.820 -0.220 0.000 2.014 481 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 481 A C 2.106 179.604 177.584 -0.143 0.000 1.163 481 A CA 2.115 54.069 52.037 -0.138 0.000 0.652 481 A CB -0.577 18.360 19.000 -0.106 0.000 0.808 481 A HN 0.887 nan 8.150 nan 0.000 0.449 482 T N -3.690 110.738 114.554 -0.210 0.000 3.091 482 T HA 0.237 4.586 4.350 -0.000 0.000 0.277 482 T C 0.156 174.734 174.700 -0.204 0.000 0.996 482 T CA 0.641 62.642 62.100 -0.166 0.000 0.897 482 T CB -0.285 68.498 68.868 -0.142 0.000 1.109 482 T HN 0.572 nan 8.240 nan 0.000 0.534 483 E N 0.027 120.028 120.200 -0.332 0.000 2.660 483 E HA -0.228 4.122 4.350 -0.000 0.000 0.260 483 E C -0.432 175.984 176.600 -0.307 0.000 1.122 483 E CA 0.844 57.054 56.400 -0.315 0.000 0.755 483 E CB -2.181 27.514 29.700 -0.009 0.000 1.345 483 E HN 0.726 nan 8.360 nan 0.000 0.421 484 E N -0.550 119.401 120.200 -0.415 0.000 2.212 484 E HA 0.496 4.846 4.350 -0.000 0.000 0.270 484 E C -0.649 175.737 176.600 -0.357 0.000 0.956 484 E CA -0.698 55.557 56.400 -0.241 0.000 0.825 484 E CB 0.923 30.562 29.700 -0.101 0.000 1.167 484 E HN 0.079 nan 8.360 nan 0.000 0.400 485 Y N 0.336 120.633 120.300 -0.005 0.000 2.354 485 Y HA 0.690 5.240 4.550 -0.000 0.000 0.322 485 Y C 1.022 176.905 175.900 -0.028 0.000 1.253 485 Y CA 0.267 58.326 58.100 -0.068 0.000 1.272 485 Y CB 1.710 40.169 38.460 -0.002 0.000 1.255 485 Y HN 0.626 nan 8.280 nan 0.000 0.500 486 G N 0.519 109.353 108.800 0.057 0.000 2.336 486 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.286 486 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.286 486 G C -1.891 173.108 174.900 0.166 0.000 1.269 486 G CA -1.146 44.070 45.100 0.193 0.000 0.873 486 G HN 0.551 nan 8.290 nan 0.000 0.494 487 N N 1.154 119.951 118.700 0.162 0.000 2.420 487 N HA 0.144 4.884 4.740 -0.000 0.000 0.249 487 N C 1.677 177.220 175.510 0.055 0.000 1.033 487 N CA -0.565 52.568 53.050 0.138 0.000 0.944 487 N CB 0.838 39.397 38.487 0.119 0.000 1.113 487 N HN 0.401 nan 8.380 nan 0.000 0.502 488 M N 3.444 123.061 119.600 0.028 0.000 2.260 488 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 488 M C 1.590 177.890 176.300 0.001 0.000 1.066 488 M CA 1.241 56.536 55.300 -0.008 0.000 1.082 488 M CB -0.482 32.110 32.600 -0.013 0.000 1.388 488 M HN 0.583 nan 8.290 nan 0.000 0.419 489 I N 0.140 120.721 120.570 0.018 0.000 2.406 489 I HA -0.226 3.944 4.170 -0.000 0.000 0.249 489 I C 1.861 177.985 176.117 0.011 0.000 1.122 489 I CA 0.939 62.248 61.300 0.014 0.000 1.431 489 I CB -0.242 37.770 38.000 0.021 0.000 1.087 489 I HN 0.182 nan 8.210 nan 0.000 0.424 490 D N 0.677 121.088 120.400 0.019 0.000 2.149 490 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 490 D C 2.055 178.358 176.300 0.005 0.000 0.972 490 D CA 1.314 55.323 54.000 0.016 0.000 0.835 490 D CB -0.193 40.623 40.800 0.026 0.000 0.966 490 D HN 0.344 nan 8.370 nan 0.000 0.476 491 M N -0.316 119.282 119.600 -0.003 0.000 2.686 491 M HA 0.164 4.644 4.480 -0.000 0.000 0.246 491 M C 1.043 177.328 176.300 -0.026 0.000 1.096 491 M CA 0.599 55.886 55.300 -0.021 0.000 1.076 491 M CB 0.057 32.633 32.600 -0.042 0.000 1.504 491 M HN -0.013 nan 8.290 nan 0.000 0.524 492 G N 1.983 110.773 108.800 -0.016 0.000 2.221 492 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.265 492 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.265 492 G C -0.201 174.686 174.900 -0.022 0.000 1.041 492 G CA -0.280 44.811 45.100 -0.015 0.000 0.807 492 G HN 0.432 nan 8.290 nan 0.000 0.502 493 I N 0.966 121.521 120.570 -0.026 0.000 2.503 493 I HA 0.484 4.654 4.170 -0.000 0.000 0.277 493 I C 0.177 176.284 176.117 -0.017 0.000 1.078 493 I CA -1.241 60.040 61.300 -0.031 0.000 1.184 493 I CB 0.150 38.118 38.000 -0.053 0.000 1.353 493 I HN 0.257 nan 8.210 nan 0.000 0.490 494 L N 2.287 123.505 121.223 -0.009 0.000 2.401 494 L HA 0.764 5.104 4.340 -0.000 0.000 0.266 494 L C -0.614 176.257 176.870 0.002 0.000 0.991 494 L CA -0.606 54.234 54.840 -0.000 0.000 0.818 494 L CB 1.719 43.781 42.059 0.005 0.000 1.321 494 L HN 0.001 nan 8.230 nan 0.000 0.413 495 D N 1.664 122.068 120.400 0.006 0.000 2.175 495 D HA 0.473 5.113 4.640 -0.000 0.000 0.248 495 D C -2.468 173.840 176.300 0.014 0.000 1.047 495 D CA -1.374 52.632 54.000 0.009 0.000 0.883 495 D CB 1.608 42.414 40.800 0.010 0.000 1.180 495 D HN 0.394 nan 8.370 nan 0.000 0.438 496 P HA 0.039 nan 4.420 nan 0.000 0.268 496 P C 0.725 178.037 177.300 0.020 0.000 1.208 496 P CA 0.016 63.128 63.100 0.020 0.000 0.777 496 P CB 0.650 32.366 31.700 0.026 0.000 0.875 497 T N 0.950 115.516 114.554 0.020 0.000 2.770 497 T HA -0.130 4.220 4.350 -0.000 0.000 0.263 497 T C 1.647 176.360 174.700 0.021 0.000 1.039 497 T CA 1.154 63.265 62.100 0.019 0.000 1.142 497 T CB -0.427 68.451 68.868 0.017 0.000 0.868 497 T HN 0.444 nan 8.240 nan 0.000 0.435 498 K N 0.926 121.340 120.400 0.023 0.000 2.066 498 K HA -0.243 4.077 4.320 -0.000 0.000 0.221 498 K C 2.299 178.920 176.600 0.035 0.000 1.056 498 K CA 2.348 58.652 56.287 0.029 0.000 0.950 498 K CB -0.817 31.704 32.500 0.035 0.000 0.726 498 K HN 0.274 nan 8.250 nan 0.000 0.456 499 V N -0.473 119.461 119.914 0.034 0.000 2.295 499 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 499 V C 1.815 177.931 176.094 0.037 0.000 1.049 499 V CA 2.558 64.880 62.300 0.036 0.000 1.024 499 V CB -0.865 30.971 31.823 0.022 0.000 0.648 499 V HN 0.497 nan 8.190 nan 0.000 0.447 500 T N 0.700 115.271 114.554 0.028 0.000 2.746 500 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 500 T C 1.934 176.650 174.700 0.027 0.000 1.039 500 T CA 2.173 64.288 62.100 0.026 0.000 1.142 500 T CB -0.391 68.490 68.868 0.021 0.000 0.866 500 T HN 0.703 nan 8.240 nan 0.000 0.444 501 R N 1.100 121.613 120.500 0.022 0.000 2.070 501 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 501 R C 2.528 178.837 176.300 0.014 0.000 1.138 501 R CA 1.991 58.097 56.100 0.011 0.000 0.936 501 R CB -0.626 29.674 30.300 0.001 0.000 0.839 501 R HN 0.223 nan 8.270 nan 0.000 0.429 502 S N 1.017 116.738 115.700 0.036 0.000 2.368 502 S HA -0.264 4.206 4.470 -0.000 0.000 0.226 502 S C 2.144 176.850 174.600 0.177 0.000 1.044 502 S CA 1.593 59.849 58.200 0.093 0.000 1.062 502 S CB -0.613 62.692 63.200 0.175 0.000 0.931 502 S HN 0.629 nan 8.310 nan 0.000 0.440 503 A N 1.386 124.285 122.820 0.132 0.000 1.892 503 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 503 A C 2.158 179.800 177.584 0.095 0.000 1.188 503 A CA 1.599 53.705 52.037 0.115 0.000 0.631 503 A CB -0.883 18.155 19.000 0.063 0.000 0.822 503 A HN 0.469 nan 8.150 nan 0.000 0.447 504 L N -1.071 120.185 121.223 0.055 0.000 2.046 504 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 504 L C 2.857 179.742 176.870 0.024 0.000 1.077 504 L CA 2.026 56.887 54.840 0.034 0.000 0.747 504 L CB -0.430 41.638 42.059 0.015 0.000 0.896 504 L HN 0.555 nan 8.230 nan 0.000 0.432 505 Q N -1.559 118.232 119.800 -0.015 0.000 2.049 505 Q HA -0.208 4.132 4.340 -0.000 0.000 0.198 505 Q C 2.064 178.022 176.000 -0.070 0.000 0.971 505 Q CA 1.529 57.279 55.803 -0.089 0.000 0.833 505 Q CB -0.136 28.484 28.738 -0.197 0.000 0.896 505 Q HN 0.432 nan 8.270 nan 0.000 0.434 506 Y N 0.434 120.735 120.300 0.003 0.000 2.181 506 Y HA -0.233 4.316 4.550 -0.000 0.000 0.288 506 Y C 2.371 178.272 175.900 0.002 0.000 1.146 506 Y CA 1.106 59.207 58.100 0.002 0.000 1.164 506 Y CB -0.710 37.750 38.460 -0.000 0.000 0.982 506 Y HN 0.151 nan 8.280 nan 0.000 0.515 507 A N 0.004 122.927 122.820 0.172 0.000 1.908 507 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 507 A C 2.497 180.122 177.584 0.068 0.000 1.181 507 A CA 2.119 54.212 52.037 0.093 0.000 0.627 507 A CB -1.320 17.718 19.000 0.064 0.000 0.818 507 A HN 0.415 nan 8.150 nan 0.000 0.445 508 A N -0.359 122.492 122.820 0.051 0.000 1.883 508 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 508 A C 2.520 180.123 177.584 0.031 0.000 1.186 508 A CA 2.470 54.523 52.037 0.028 0.000 0.624 508 A CB -1.111 17.893 19.000 0.006 0.000 0.822 508 A HN 0.836 nan 8.150 nan 0.000 0.444 509 S N -0.620 115.104 115.700 0.041 0.000 2.363 509 S HA -0.179 4.291 4.470 -0.000 0.000 0.218 509 S C 1.959 176.592 174.600 0.055 0.000 1.035 509 S CA 2.034 60.261 58.200 0.044 0.000 1.043 509 S CB -1.000 62.237 63.200 0.063 0.000 0.986 509 S HN 0.719 nan 8.310 nan 0.000 0.423 510 V N 2.059 122.019 119.914 0.076 0.000 2.380 510 V HA -0.130 3.990 4.120 -0.000 0.000 0.251 510 V C 2.775 178.894 176.094 0.041 0.000 1.063 510 V CA 2.343 64.677 62.300 0.058 0.000 1.055 510 V CB -1.355 30.502 31.823 0.056 0.000 0.657 510 V HN 0.689 nan 8.190 nan 0.000 0.455 511 A N -0.276 122.567 122.820 0.038 0.000 1.898 511 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 511 A C 2.379 179.977 177.584 0.024 0.000 1.181 511 A CA 1.742 53.796 52.037 0.028 0.000 0.620 511 A CB -1.410 17.605 19.000 0.025 0.000 0.819 511 A HN 0.641 nan 8.150 nan 0.000 0.442 512 G N 0.264 109.078 108.800 0.024 0.000 2.514 512 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 512 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 512 G C 1.376 176.289 174.900 0.022 0.000 1.198 512 G CA 1.358 46.469 45.100 0.020 0.000 0.780 512 G HN 0.324 nan 8.290 nan 0.000 0.565 513 L N 0.437 121.676 121.223 0.026 0.000 2.054 513 L HA -0.188 4.152 4.340 -0.000 0.000 0.220 513 L C 3.097 179.983 176.870 0.026 0.000 1.081 513 L CA 1.857 56.713 54.840 0.027 0.000 0.780 513 L CB -0.757 41.321 42.059 0.032 0.000 0.893 513 L HN 0.325 nan 8.230 nan 0.000 0.438 514 M N -1.986 117.629 119.600 0.025 0.000 2.200 514 M HA -0.155 4.325 4.480 -0.000 0.000 0.265 514 M C 2.224 178.536 176.300 0.020 0.000 1.066 514 M CA 1.434 56.748 55.300 0.023 0.000 1.127 514 M CB -0.372 32.242 32.600 0.022 0.000 1.379 514 M HN 0.146 nan 8.290 nan 0.000 0.420 515 I N 0.257 120.838 120.570 0.018 0.000 2.567 515 I HA -0.183 3.987 4.170 -0.000 0.000 0.257 515 I C 1.556 177.684 176.117 0.017 0.000 1.184 515 I CA 1.174 62.484 61.300 0.016 0.000 1.451 515 I CB -0.394 37.614 38.000 0.014 0.000 1.089 515 I HN 0.342 nan 8.210 nan 0.000 0.441 516 T N -3.314 111.252 114.554 0.020 0.000 3.269 516 T HA 0.239 4.589 4.350 -0.000 0.000 0.269 516 T C 0.390 175.107 174.700 0.027 0.000 0.993 516 T CA -0.368 61.745 62.100 0.022 0.000 0.909 516 T CB -0.358 68.522 68.868 0.020 0.000 1.115 516 T HN -0.097 nan 8.240 nan 0.000 0.543 517 T N 2.080 116.651 114.554 0.029 0.000 2.795 517 T HA 0.359 4.709 4.350 -0.000 0.000 0.282 517 T C 0.510 175.236 174.700 0.043 0.000 0.980 517 T CA -0.541 61.580 62.100 0.035 0.000 1.012 517 T CB 1.608 70.495 68.868 0.031 0.000 0.936 517 T HN 0.099 nan 8.240 nan 0.000 0.457 518 E N 0.590 120.827 120.200 0.062 0.000 2.511 518 E HA 0.194 4.544 4.350 -0.000 0.000 0.209 518 E C 0.009 176.699 176.600 0.150 0.000 0.986 518 E CA 0.099 56.556 56.400 0.095 0.000 0.974 518 E CB 0.696 30.453 29.700 0.095 0.000 1.030 518 E HN 0.571 nan 8.360 nan 0.000 0.490 519 C N 0.582 119.936 119.300 0.091 0.000 3.113 519 C HA 0.624 5.084 4.460 -0.000 0.000 0.376 519 C C -1.521 173.451 174.990 -0.030 0.000 1.077 519 C CA -0.653 58.379 59.018 0.024 0.000 1.253 519 C CB 0.177 27.993 27.740 0.127 0.000 1.637 519 C HN 0.095 nan 8.230 nan 0.000 0.535 520 M N 5.086 124.634 119.600 -0.086 0.000 2.395 520 M HA 0.645 5.125 4.480 -0.000 0.000 0.307 520 M C -1.047 175.307 176.300 0.089 0.000 1.091 520 M CA -0.651 54.676 55.300 0.046 0.000 0.919 520 M CB 2.181 34.878 32.600 0.163 0.000 1.662 520 M HN 0.421 nan 8.290 nan 0.000 0.440 521 V N 1.455 121.406 119.914 0.062 0.000 2.483 521 V HA 0.745 4.865 4.120 -0.000 0.000 0.297 521 V C -0.382 175.685 176.094 -0.044 0.000 1.027 521 V CA -0.328 61.980 62.300 0.013 0.000 0.855 521 V CB 1.992 33.809 31.823 -0.011 0.000 0.995 521 V HN 0.971 nan 8.190 nan 0.000 0.424 522 T N 2.207 116.692 114.554 -0.114 0.000 2.792 522 T HA 0.415 4.765 4.350 -0.000 0.000 0.303 522 T C -1.132 173.461 174.700 -0.179 0.000 1.310 522 T CA -0.588 61.385 62.100 -0.211 0.000 1.007 522 T CB 1.798 70.387 68.868 -0.465 0.000 1.335 522 T HN 0.633 nan 8.240 nan 0.000 0.504 523 D N 1.602 121.908 120.400 -0.156 0.000 2.449 523 D HA 0.254 4.894 4.640 -0.000 0.000 0.236 523 D C 0.264 176.493 176.300 -0.118 0.000 1.149 523 D CA 0.195 54.128 54.000 -0.112 0.000 0.878 523 D CB 0.342 41.091 40.800 -0.085 0.000 1.198 523 D HN 0.392 nan 8.370 nan 0.000 0.446 524 L N 3.701 124.884 121.223 -0.067 0.000 2.499 524 L HA 0.114 4.454 4.340 -0.000 0.000 0.273 524 L C -1.189 175.653 176.870 -0.048 0.000 1.195 524 L CA -1.444 53.369 54.840 -0.044 0.000 0.882 524 L CB -0.137 41.909 42.059 -0.021 0.000 1.133 524 L HN 0.407 nan 8.230 nan 0.000 0.483 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.082 63.100 -0.031 0.000 0.800 525 P CB 0.000 31.695 31.700 -0.009 0.000 0.726