REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2nwc_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 A N 3.096 125.916 122.820 0.001 0.000 2.462 3 A HA 0.613 4.877 4.320 -0.092 0.000 0.243 3 A C 0.292 177.879 177.584 0.005 0.000 1.076 3 A CA 0.148 52.190 52.037 0.008 0.000 0.773 3 A CB 0.226 19.233 19.000 0.012 0.000 1.010 3 A HN 0.626 nan 8.150 nan 0.000 0.493 4 K N 1.210 121.618 120.400 0.014 0.000 2.221 4 K HA 0.401 4.666 4.320 -0.092 0.000 0.243 4 K C -1.314 175.311 176.600 0.041 0.000 0.968 4 K CA -0.707 55.587 56.287 0.011 0.000 0.846 4 K CB 1.641 34.146 32.500 0.007 0.000 1.141 4 K HN 0.700 nan 8.250 nan 0.000 0.434 5 D N 1.367 121.799 120.400 0.053 0.000 2.349 5 D HA 0.295 4.879 4.640 -0.092 0.000 0.232 5 D C -1.182 175.272 176.300 0.257 0.000 1.071 5 D CA -0.520 53.579 54.000 0.165 0.000 0.832 5 D CB 1.043 41.965 40.800 0.204 0.000 1.086 5 D HN 0.054 nan 8.370 nan 0.000 0.504 6 V N 4.435 124.450 119.914 0.168 0.000 2.448 6 V HA 0.464 4.528 4.120 -0.092 0.000 0.295 6 V C 0.250 176.251 176.094 -0.154 0.000 1.025 6 V CA -0.772 61.532 62.300 0.006 0.000 0.859 6 V CB 1.732 33.512 31.823 -0.071 0.000 0.988 6 V HN 0.346 nan 8.190 nan 0.000 0.431 7 K N 3.531 123.716 120.400 -0.358 0.000 2.318 7 K HA 0.751 5.016 4.320 -0.092 0.000 0.249 7 K C -1.590 174.677 176.600 -0.554 0.000 0.942 7 K CA -0.513 55.507 56.287 -0.446 0.000 0.808 7 K CB 2.484 34.551 32.500 -0.722 0.000 1.189 7 K HN 0.462 nan 8.250 nan 0.000 0.428 8 F N -0.202 119.694 119.950 -0.090 0.000 2.598 8 F HA 0.404 4.875 4.527 -0.092 0.000 0.327 8 F C 1.320 177.090 175.800 -0.051 0.000 1.057 8 F CA 0.007 57.979 58.000 -0.047 0.000 0.957 8 F CB 1.533 40.515 39.000 -0.030 0.000 1.278 8 F HN 0.818 nan 8.300 nan 0.000 0.484 9 G N 1.631 110.538 108.800 0.180 0.000 2.684 9 G HA2 -0.471 3.434 3.960 -0.092 0.000 0.342 9 G HA3 -0.471 3.434 3.960 -0.092 0.000 0.342 9 G C 1.315 176.238 174.900 0.038 0.000 1.316 9 G CA 1.014 46.169 45.100 0.091 0.000 0.994 9 G HN 0.868 nan 8.290 nan 0.000 0.541 10 N N 0.374 119.090 118.700 0.027 0.000 2.061 10 N HA -0.210 4.474 4.740 -0.092 0.000 0.193 10 N C 1.873 177.376 175.510 -0.013 0.000 1.030 10 N CA 2.360 55.414 53.050 0.006 0.000 0.856 10 N CB -0.330 38.160 38.487 0.005 0.000 1.023 10 N HN 0.574 nan 8.380 nan 0.000 0.424 11 D N 0.469 120.857 120.400 -0.020 0.000 2.116 11 D HA -0.126 4.458 4.640 -0.092 0.000 0.193 11 D C 1.873 178.103 176.300 -0.118 0.000 0.998 11 D CA 1.643 55.605 54.000 -0.064 0.000 0.836 11 D CB -0.421 40.341 40.800 -0.063 0.000 0.951 11 D HN 0.419 nan 8.370 nan 0.000 0.449 12 A N 0.870 123.619 122.820 -0.118 0.000 1.883 12 A HA -0.211 4.053 4.320 -0.092 0.000 0.217 12 A C 2.250 179.796 177.584 -0.063 0.000 1.186 12 A CA 2.380 54.329 52.037 -0.146 0.000 0.624 12 A CB -0.688 18.247 19.000 -0.108 0.000 0.822 12 A HN 0.507 nan 8.150 nan 0.000 0.444 13 R N 0.141 120.624 120.500 -0.028 0.000 2.193 13 R HA 0.008 4.293 4.340 -0.092 0.000 0.213 13 R C 1.704 178.003 176.300 -0.003 0.000 1.055 13 R CA 1.316 57.414 56.100 -0.004 0.000 0.995 13 R CB -1.025 29.279 30.300 0.006 0.000 0.893 13 R HN 0.466 nan 8.270 nan 0.000 0.459 14 V N -0.564 119.342 119.914 -0.014 0.000 2.427 14 V HA -0.093 3.972 4.120 -0.092 0.000 0.248 14 V C 1.968 178.061 176.094 -0.002 0.000 1.051 14 V CA 1.133 63.428 62.300 -0.008 0.000 1.048 14 V CB -0.438 31.378 31.823 -0.013 0.000 0.666 14 V HN 0.084 nan 8.190 nan 0.000 0.456 15 K N -0.065 120.328 120.400 -0.013 0.000 2.026 15 K HA -0.091 4.173 4.320 -0.092 0.000 0.208 15 K C 2.179 178.810 176.600 0.051 0.000 1.048 15 K CA 2.222 58.521 56.287 0.020 0.000 0.929 15 K CB -0.520 31.983 32.500 0.006 0.000 0.713 15 K HN 0.545 nan 8.250 nan 0.000 0.439 16 M N 0.545 120.172 119.600 0.046 0.000 2.086 16 M HA -0.185 4.240 4.480 -0.092 0.000 0.261 16 M C 2.138 178.459 176.300 0.035 0.000 1.067 16 M CA 1.174 56.504 55.300 0.051 0.000 1.116 16 M CB -0.151 32.475 32.600 0.043 0.000 1.348 16 M HN 0.060 nan 8.290 nan 0.000 0.407 17 L N 0.231 121.469 121.223 0.025 0.000 2.012 17 L HA -0.211 4.074 4.340 -0.092 0.000 0.210 17 L C 2.351 179.233 176.870 0.020 0.000 1.073 17 L CA 1.990 56.842 54.840 0.020 0.000 0.748 17 L CB -0.719 41.348 42.059 0.014 0.000 0.891 17 L HN 0.263 nan 8.230 nan 0.000 0.431 18 R N -0.634 119.878 120.500 0.021 0.000 2.105 18 R HA -0.110 4.175 4.340 -0.092 0.000 0.239 18 R C 2.182 178.497 176.300 0.024 0.000 1.135 18 R CA 1.463 57.575 56.100 0.021 0.000 0.967 18 R CB -0.811 29.503 30.300 0.022 0.000 0.861 18 R HN 0.547 nan 8.270 nan 0.000 0.442 19 G N -0.154 108.664 108.800 0.031 0.000 2.402 19 G HA2 -0.231 3.673 3.960 -0.092 0.000 0.216 19 G HA3 -0.231 3.673 3.960 -0.092 0.000 0.216 19 G C 1.359 176.272 174.900 0.020 0.000 1.162 19 G CA 0.903 46.020 45.100 0.029 0.000 0.777 19 G HN 0.358 nan 8.290 nan 0.000 0.539 20 V N -0.265 119.661 119.914 0.020 0.000 2.667 20 V HA -0.045 4.019 4.120 -0.092 0.000 0.252 20 V C 2.187 178.289 176.094 0.013 0.000 1.065 20 V CA 2.001 64.311 62.300 0.016 0.000 1.083 20 V CB -0.503 31.331 31.823 0.018 0.000 0.692 20 V HN 0.162 nan 8.190 nan 0.000 0.468 21 N N 1.188 119.896 118.700 0.014 0.000 2.120 21 N HA -0.104 4.580 4.740 -0.092 0.000 0.188 21 N C 1.801 177.317 175.510 0.009 0.000 1.024 21 N CA 1.893 54.950 53.050 0.011 0.000 0.852 21 N CB -0.614 37.880 38.487 0.012 0.000 1.003 21 N HN 0.516 nan 8.380 nan 0.000 0.424 22 V N 1.321 121.241 119.914 0.010 0.000 2.295 22 V HA -0.175 3.889 4.120 -0.092 0.000 0.246 22 V C 2.374 178.471 176.094 0.005 0.000 1.049 22 V CA 1.089 63.394 62.300 0.007 0.000 1.024 22 V CB -0.634 31.194 31.823 0.009 0.000 0.648 22 V HN 0.194 nan 8.190 nan 0.000 0.447 23 L N 1.072 122.298 121.223 0.005 0.000 1.976 23 L HA -0.098 4.187 4.340 -0.092 0.000 0.209 23 L C 2.475 179.346 176.870 0.002 0.000 1.071 23 L CA 2.548 57.389 54.840 0.002 0.000 0.746 23 L CB -1.029 41.032 42.059 0.002 0.000 0.890 23 L HN 0.203 nan 8.230 nan 0.000 0.432 24 A N -0.813 122.010 122.820 0.005 0.000 1.902 24 A HA -0.224 4.041 4.320 -0.092 0.000 0.217 24 A C 1.982 179.568 177.584 0.004 0.000 1.181 24 A CA 1.917 53.957 52.037 0.006 0.000 0.623 24 A CB -0.967 18.038 19.000 0.009 0.000 0.818 24 A HN 0.578 nan 8.150 nan 0.000 0.443 25 D N -0.011 120.392 120.400 0.004 0.000 2.178 25 D HA -0.010 4.575 4.640 -0.092 0.000 0.201 25 D C 2.097 178.398 176.300 0.001 0.000 0.980 25 D CA 1.358 55.360 54.000 0.003 0.000 0.842 25 D CB -0.314 40.489 40.800 0.004 0.000 0.948 25 D HN 0.449 nan 8.370 nan 0.000 0.472 26 A N 0.113 122.933 122.820 -0.000 0.000 1.929 26 A HA -0.044 4.221 4.320 -0.092 0.000 0.216 26 A C 2.386 179.967 177.584 -0.005 0.000 1.176 26 A CA 0.769 52.804 52.037 -0.003 0.000 0.628 26 A CB -0.296 18.702 19.000 -0.004 0.000 0.816 26 A HN 0.155 nan 8.150 nan 0.000 0.444 27 V N 0.889 120.801 119.914 -0.004 0.000 2.685 27 V HA -0.130 3.934 4.120 -0.092 0.000 0.244 27 V C 2.491 178.583 176.094 -0.003 0.000 1.054 27 V CA 1.799 64.096 62.300 -0.005 0.000 1.076 27 V CB -0.296 31.523 31.823 -0.006 0.000 0.725 27 V HN 0.798 nan 8.190 nan 0.000 0.467 28 K N 1.369 121.769 120.400 0.001 0.000 2.283 28 K HA -0.101 4.164 4.320 -0.092 0.000 0.202 28 K C 1.784 178.385 176.600 0.003 0.000 1.048 28 K CA 1.856 58.145 56.287 0.003 0.000 0.948 28 K CB -0.551 31.953 32.500 0.006 0.000 0.742 28 K HN 0.490 nan 8.250 nan 0.000 0.458 29 V N 0.096 120.011 119.914 0.000 0.000 3.141 29 V HA -0.104 3.961 4.120 -0.092 0.000 0.265 29 V C 2.127 178.220 176.094 -0.002 0.000 1.126 29 V CA 1.657 63.957 62.300 -0.000 0.000 1.141 29 V CB -1.053 30.769 31.823 -0.001 0.000 0.743 29 V HN 0.518 nan 8.190 nan 0.000 0.492 30 T N -2.429 112.123 114.554 -0.004 0.000 3.100 30 T HA 0.252 4.547 4.350 -0.092 0.000 0.253 30 T C 0.526 175.224 174.700 -0.005 0.000 1.118 30 T CA -0.111 61.985 62.100 -0.006 0.000 1.058 30 T CB -0.206 68.656 68.868 -0.010 0.000 0.953 30 T HN 0.328 nan 8.240 nan 0.000 0.515 31 L N 2.549 123.772 121.223 -0.000 0.000 2.367 31 L HA 0.572 4.857 4.340 -0.092 0.000 0.275 31 L C 0.924 177.796 176.870 0.005 0.000 1.129 31 L CA 1.458 56.299 54.840 0.003 0.000 0.839 31 L CB -0.249 41.814 42.059 0.008 0.000 1.133 31 L HN 0.693 nan 8.230 nan 0.000 0.453 32 G N 4.408 113.209 108.800 0.001 0.000 2.757 32 G HA2 -0.178 3.727 3.960 -0.092 0.000 0.638 32 G HA3 -0.178 3.727 3.960 -0.092 0.000 0.638 32 G C -2.022 172.873 174.900 -0.009 0.000 1.344 32 G CA -0.402 44.697 45.100 -0.000 0.000 0.855 32 G HN 0.507 nan 8.290 nan 0.000 0.537 33 P HA 0.036 nan 4.420 nan 0.000 0.217 33 P C 1.252 178.542 177.300 -0.018 0.000 1.150 33 P CA 1.437 64.522 63.100 -0.025 0.000 0.832 33 P CB 0.083 31.757 31.700 -0.043 0.000 0.787 34 K N 0.180 120.574 120.400 -0.009 0.000 2.684 34 K HA 0.232 4.497 4.320 -0.092 0.000 0.215 34 K C 0.775 177.374 176.600 -0.001 0.000 1.073 34 K CA -0.299 55.985 56.287 -0.004 0.000 1.197 34 K CB -0.102 32.400 32.500 0.003 0.000 0.955 34 K HN 0.090 nan 8.250 nan 0.000 0.473 35 G N 1.351 110.149 108.800 -0.004 0.000 2.432 35 G HA2 0.013 3.917 3.960 -0.092 0.000 0.239 35 G HA3 0.013 3.917 3.960 -0.092 0.000 0.239 35 G C 0.178 175.074 174.900 -0.006 0.000 1.291 35 G CA -0.434 44.664 45.100 -0.004 0.000 0.863 35 G HN 0.176 nan 8.290 nan 0.000 0.560 36 R N 1.065 121.562 120.500 -0.005 0.000 2.546 36 R HA 0.174 4.458 4.340 -0.092 0.000 0.266 36 R C 0.079 176.373 176.300 -0.009 0.000 1.086 36 R CA -0.646 55.450 56.100 -0.006 0.000 1.160 36 R CB 0.410 30.708 30.300 -0.005 0.000 1.138 36 R HN 0.633 nan 8.270 nan 0.000 0.567 37 N N -0.763 117.930 118.700 -0.011 0.000 2.529 37 N HA 0.240 4.925 4.740 -0.092 0.000 0.278 37 N C -0.897 174.605 175.510 -0.013 0.000 1.146 37 N CA -0.317 52.725 53.050 -0.013 0.000 0.980 37 N CB 1.187 39.665 38.487 -0.015 0.000 1.124 37 N HN 0.104 nan 8.380 nan 0.000 0.458 38 V N 2.149 122.054 119.914 -0.015 0.000 2.495 38 V HA 0.337 4.402 4.120 -0.092 0.000 0.298 38 V C -0.320 175.763 176.094 -0.019 0.000 1.031 38 V CA -0.821 61.470 62.300 -0.016 0.000 0.871 38 V CB 1.782 33.596 31.823 -0.015 0.000 0.988 38 V HN 0.325 nan 8.190 nan 0.000 0.432 39 V N 6.442 126.344 119.914 -0.019 0.000 2.370 39 V HA 0.445 4.510 4.120 -0.092 0.000 0.279 39 V C -0.185 175.894 176.094 -0.024 0.000 1.029 39 V CA -0.383 61.903 62.300 -0.023 0.000 0.870 39 V CB 1.248 33.057 31.823 -0.022 0.000 0.984 39 V HN 0.617 nan 8.190 nan 0.000 0.451 40 L N 3.938 125.143 121.223 -0.030 0.000 2.298 40 L HA 0.495 4.780 4.340 -0.092 0.000 0.284 40 L C -0.070 176.778 176.870 -0.037 0.000 1.013 40 L CA -0.558 54.265 54.840 -0.029 0.000 0.824 40 L CB 1.532 43.573 42.059 -0.030 0.000 1.221 40 L HN 0.494 nan 8.230 nan 0.000 0.418 41 D N 4.245 124.627 120.400 -0.030 0.000 2.358 41 D HA 0.069 4.654 4.640 -0.092 0.000 0.258 41 D C -0.181 176.098 176.300 -0.036 0.000 1.223 41 D CA 0.157 54.136 54.000 -0.035 0.000 0.886 41 D CB 0.858 41.647 40.800 -0.018 0.000 1.120 41 D HN 0.310 nan 8.370 nan 0.000 0.482 42 K N 1.965 122.321 120.400 -0.075 0.000 2.205 42 K HA 0.045 4.309 4.320 -0.092 0.000 0.279 42 K C 1.226 177.810 176.600 -0.027 0.000 1.027 42 K CA -0.293 55.944 56.287 -0.082 0.000 0.932 42 K CB 1.266 33.631 32.500 -0.226 0.000 1.032 42 K HN 0.294 nan 8.250 nan 0.000 0.466 43 S N 3.362 119.130 115.700 0.114 0.000 2.444 43 S HA -0.180 4.234 4.470 -0.092 0.000 0.244 43 S C 0.395 175.161 174.600 0.276 0.000 1.025 43 S CA 1.583 59.900 58.200 0.195 0.000 0.995 43 S CB -0.260 63.076 63.200 0.227 0.000 0.781 43 S HN 0.503 nan 8.310 nan 0.000 0.496 44 F N -3.651 116.297 119.950 -0.004 0.000 2.824 44 F HA 0.711 5.182 4.527 -0.093 0.000 0.330 44 F C 1.030 176.828 175.800 -0.004 0.000 1.175 44 F CA -0.665 57.334 58.000 -0.003 0.000 0.974 44 F CB 0.469 39.468 39.000 -0.003 0.000 1.430 44 F HN 0.142 nan 8.300 nan 0.000 0.507 45 G N 0.828 109.571 108.800 -0.095 0.000 2.591 45 G HA2 0.172 4.077 3.960 -0.092 0.000 0.298 45 G HA3 0.172 4.077 3.960 -0.092 0.000 0.298 45 G C -0.437 174.363 174.900 -0.168 0.000 1.195 45 G CA 0.635 45.612 45.100 -0.204 0.000 0.989 45 G HN 1.948 nan 8.290 nan 0.000 0.551 46 A N 0.565 123.260 122.820 -0.208 0.000 2.365 46 A HA 0.857 5.122 4.320 -0.092 0.000 0.318 46 A C -2.218 175.277 177.584 -0.148 0.000 1.091 46 A CA -0.520 51.436 52.037 -0.134 0.000 0.763 46 A CB 1.430 20.373 19.000 -0.094 0.000 1.248 46 A HN 0.713 nan 8.150 nan 0.000 0.442 47 P HA 0.360 nan 4.420 nan 0.000 0.272 47 P C -0.328 176.922 177.300 -0.084 0.000 1.240 47 P CA 0.003 63.048 63.100 -0.091 0.000 0.791 47 P CB 0.448 32.112 31.700 -0.059 0.000 0.978 48 T N 1.833 116.342 114.554 -0.075 0.000 2.771 48 T HA 0.441 4.736 4.350 -0.092 0.000 0.291 48 T C 0.314 174.987 174.700 -0.045 0.000 0.954 48 T CA -0.167 61.896 62.100 -0.062 0.000 1.045 48 T CB -0.125 68.708 68.868 -0.059 0.000 0.917 48 T HN 0.173 nan 8.240 nan 0.000 0.484 49 I N 2.961 123.507 120.570 -0.040 0.000 2.321 49 I HA 0.474 4.589 4.170 -0.092 0.000 0.291 49 I C 0.524 176.623 176.117 -0.029 0.000 0.998 49 I CA -0.360 60.922 61.300 -0.032 0.000 1.227 49 I CB 1.607 39.590 38.000 -0.029 0.000 1.368 49 I HN 0.489 nan 8.210 nan 0.000 0.466 50 T N 4.490 119.028 114.554 -0.026 0.000 2.894 50 T HA 0.383 4.678 4.350 -0.092 0.000 0.309 50 T C -0.027 174.660 174.700 -0.022 0.000 1.208 50 T CA -0.630 61.455 62.100 -0.025 0.000 1.016 50 T CB 1.548 70.399 68.868 -0.027 0.000 1.192 50 T HN 0.634 nan 8.240 nan 0.000 0.491 51 K N 1.478 121.866 120.400 -0.021 0.000 2.455 51 K HA 0.200 4.464 4.320 -0.092 0.000 0.206 51 K C -0.427 176.161 176.600 -0.020 0.000 1.027 51 K CA -0.352 55.924 56.287 -0.019 0.000 1.113 51 K CB 0.504 32.993 32.500 -0.017 0.000 0.850 51 K HN 0.378 nan 8.250 nan 0.000 0.503 52 D N 0.567 120.954 120.400 -0.023 0.000 2.380 52 D HA 0.081 4.665 4.640 -0.092 0.000 0.230 52 D C 1.058 177.344 176.300 -0.024 0.000 1.154 52 D CA -0.057 53.928 54.000 -0.025 0.000 0.859 52 D CB 1.398 42.180 40.800 -0.029 0.000 1.045 52 D HN 0.280 nan 8.370 nan 0.000 0.495 53 G N 2.640 111.427 108.800 -0.022 0.000 2.462 53 G HA2 -0.199 3.706 3.960 -0.092 0.000 0.220 53 G HA3 -0.199 3.706 3.960 -0.092 0.000 0.220 53 G C 1.575 176.460 174.900 -0.024 0.000 1.121 53 G CA 0.471 45.559 45.100 -0.020 0.000 0.758 53 G HN 0.479 nan 8.290 nan 0.000 0.559 54 V N 0.968 120.864 119.914 -0.029 0.000 2.323 54 V HA -0.153 3.912 4.120 -0.092 0.000 0.244 54 V C 3.068 179.142 176.094 -0.035 0.000 1.041 54 V CA 2.166 64.446 62.300 -0.034 0.000 1.025 54 V CB -0.433 31.366 31.823 -0.041 0.000 0.656 54 V HN 0.372 nan 8.190 nan 0.000 0.451 55 S N -0.064 115.616 115.700 -0.034 0.000 2.382 55 S HA -0.151 4.264 4.470 -0.092 0.000 0.228 55 S C 1.987 176.569 174.600 -0.029 0.000 1.027 55 S CA 1.411 59.591 58.200 -0.033 0.000 0.991 55 S CB -0.172 63.009 63.200 -0.032 0.000 0.823 55 S HN 0.387 nan 8.310 nan 0.000 0.469 56 V N 2.060 121.959 119.914 -0.026 0.000 2.307 56 V HA -0.157 3.907 4.120 -0.092 0.000 0.245 56 V C 2.717 178.798 176.094 -0.021 0.000 1.045 56 V CA 1.620 63.907 62.300 -0.022 0.000 1.024 56 V CB -1.295 30.517 31.823 -0.018 0.000 0.651 56 V HN 0.533 nan 8.190 nan 0.000 0.449 57 A N 0.052 122.858 122.820 -0.023 0.000 1.917 57 A HA -0.305 3.959 4.320 -0.092 0.000 0.219 57 A C 2.407 179.975 177.584 -0.027 0.000 1.182 57 A CA 2.292 54.316 52.037 -0.023 0.000 0.633 57 A CB -0.668 18.317 19.000 -0.025 0.000 0.819 57 A HN 0.476 nan 8.150 nan 0.000 0.448 58 R N -0.526 119.954 120.500 -0.033 0.000 2.105 58 R HA -0.159 4.125 4.340 -0.092 0.000 0.239 58 R C 1.591 177.871 176.300 -0.034 0.000 1.135 58 R CA 1.651 57.727 56.100 -0.040 0.000 0.967 58 R CB -0.137 30.134 30.300 -0.048 0.000 0.861 58 R HN 0.502 nan 8.270 nan 0.000 0.442 59 E N 0.223 120.407 120.200 -0.026 0.000 2.358 59 E HA -0.036 4.259 4.350 -0.092 0.000 0.195 59 E C 0.314 176.905 176.600 -0.014 0.000 1.010 59 E CA 0.222 56.611 56.400 -0.019 0.000 0.856 59 E CB 0.169 29.859 29.700 -0.017 0.000 0.795 59 E HN 0.261 nan 8.360 nan 0.000 0.504 60 I N 2.288 122.850 120.570 -0.015 0.000 2.505 60 I HA 0.095 4.210 4.170 -0.092 0.000 0.287 60 I C 0.400 176.511 176.117 -0.009 0.000 1.104 60 I CA 0.404 61.698 61.300 -0.010 0.000 1.387 60 I CB -0.099 37.896 38.000 -0.009 0.000 1.404 60 I HN -0.037 nan 8.210 nan 0.000 0.528 61 E N 7.038 127.235 120.200 -0.006 0.000 2.335 61 E HA 0.539 4.834 4.350 -0.092 0.000 0.280 61 E C -1.785 174.813 176.600 -0.003 0.000 0.918 61 E CA -0.608 55.788 56.400 -0.006 0.000 0.765 61 E CB 2.200 31.896 29.700 -0.006 0.000 1.218 61 E HN 0.431 nan 8.360 nan 0.000 0.425 62 L N 3.134 124.356 121.223 -0.003 0.000 2.330 62 L HA 0.408 4.692 4.340 -0.092 0.000 0.271 62 L C 1.389 178.258 176.870 -0.001 0.000 1.013 62 L CA -0.570 54.272 54.840 0.002 0.000 0.816 62 L CB 1.725 43.790 42.059 0.009 0.000 1.287 62 L HN 0.733 nan 8.230 nan 0.000 0.435 63 E N 0.579 120.782 120.200 0.004 0.000 2.046 63 E HA -0.157 4.137 4.350 -0.092 0.000 0.190 63 E C 0.414 177.016 176.600 0.003 0.000 0.982 63 E CA 0.528 56.929 56.400 0.002 0.000 0.800 63 E CB 0.287 29.991 29.700 0.007 0.000 0.756 63 E HN 0.638 nan 8.360 nan 0.000 0.449 64 D N 0.730 121.143 120.400 0.021 0.000 2.382 64 D HA -0.052 4.533 4.640 -0.092 0.000 0.259 64 D C 0.421 176.731 176.300 0.017 0.000 1.224 64 D CA 0.265 54.292 54.000 0.045 0.000 0.894 64 D CB 0.900 41.749 40.800 0.083 0.000 1.127 64 D HN 0.093 nan 8.370 nan 0.000 0.487 65 K N 2.927 123.294 120.400 -0.056 0.000 2.211 65 K HA -0.108 4.157 4.320 -0.092 0.000 0.203 65 K C 1.613 178.065 176.600 -0.246 0.000 1.050 65 K CA 0.936 57.108 56.287 -0.191 0.000 0.945 65 K CB 0.129 32.446 32.500 -0.306 0.000 0.732 65 K HN 0.427 nan 8.250 nan 0.000 0.451 66 F N 1.532 121.472 119.950 -0.016 0.000 2.187 66 F HA -0.040 4.430 4.527 -0.094 0.000 0.295 66 F C 2.152 177.944 175.800 -0.014 0.000 1.091 66 F CA 0.947 58.935 58.000 -0.020 0.000 1.308 66 F CB -0.241 38.745 39.000 -0.023 0.000 1.030 66 F HN 0.006 nan 8.300 nan 0.000 0.487 67 E N 0.128 120.432 120.200 0.173 0.000 2.077 67 E HA -0.257 4.037 4.350 -0.092 0.000 0.193 67 E C 1.824 178.454 176.600 0.050 0.000 0.989 67 E CA 1.362 57.817 56.400 0.092 0.000 0.800 67 E CB -0.363 29.380 29.700 0.071 0.000 0.746 67 E HN 0.302 nan 8.360 nan 0.000 0.452 68 N N 0.741 119.456 118.700 0.024 0.000 2.104 68 N HA -0.174 4.510 4.740 -0.092 0.000 0.190 68 N C 1.771 177.279 175.510 -0.004 0.000 1.024 68 N CA 1.353 54.402 53.050 -0.001 0.000 0.853 68 N CB -0.040 38.432 38.487 -0.024 0.000 1.008 68 N HN 0.058 nan 8.380 nan 0.000 0.424 69 M N -0.454 119.140 119.600 -0.009 0.000 2.082 69 M HA -0.108 4.317 4.480 -0.092 0.000 0.258 69 M C 2.162 178.473 176.300 0.018 0.000 1.069 69 M CA 1.882 57.180 55.300 -0.003 0.000 1.102 69 M CB -0.766 31.833 32.600 -0.001 0.000 1.336 69 M HN 0.356 nan 8.290 nan 0.000 0.404 70 G N -0.148 108.674 108.800 0.036 0.000 2.514 70 G HA2 -0.260 3.645 3.960 -0.092 0.000 0.217 70 G HA3 -0.260 3.645 3.960 -0.092 0.000 0.217 70 G C 1.586 176.498 174.900 0.021 0.000 1.198 70 G CA 1.324 46.444 45.100 0.033 0.000 0.780 70 G HN 0.576 nan 8.290 nan 0.000 0.565 71 A N -0.221 122.608 122.820 0.016 0.000 1.883 71 A HA -0.117 4.147 4.320 -0.092 0.000 0.217 71 A C 2.424 180.010 177.584 0.002 0.000 1.186 71 A CA 2.216 54.258 52.037 0.008 0.000 0.624 71 A CB -0.447 18.556 19.000 0.005 0.000 0.822 71 A HN 0.345 nan 8.150 nan 0.000 0.444 72 Q N -0.803 118.997 119.800 -0.000 0.000 2.170 72 Q HA -0.093 4.191 4.340 -0.092 0.000 0.203 72 Q C 2.118 178.117 176.000 -0.002 0.000 0.976 72 Q CA 1.399 57.199 55.803 -0.005 0.000 0.858 72 Q CB -0.529 28.204 28.738 -0.009 0.000 0.907 72 Q HN 0.779 nan 8.270 nan 0.000 0.433 73 M N -0.293 119.311 119.600 0.005 0.000 2.067 73 M HA -0.150 4.274 4.480 -0.092 0.000 0.260 73 M C 2.246 178.553 176.300 0.012 0.000 1.069 73 M CA 1.544 56.851 55.300 0.011 0.000 1.117 73 M CB -0.296 32.315 32.600 0.019 0.000 1.334 73 M HN 0.177 nan 8.290 nan 0.000 0.407 74 V N -0.502 119.419 119.914 0.012 0.000 2.591 74 V HA -0.182 3.882 4.120 -0.092 0.000 0.249 74 V C 1.952 178.045 176.094 -0.002 0.000 1.053 74 V CA 1.644 63.952 62.300 0.013 0.000 1.068 74 V CB -0.469 31.365 31.823 0.018 0.000 0.689 74 V HN 0.407 nan 8.190 nan 0.000 0.462 75 K N -0.247 120.148 120.400 -0.008 0.000 2.044 75 K HA -0.200 4.064 4.320 -0.092 0.000 0.210 75 K C 2.353 178.933 176.600 -0.034 0.000 1.049 75 K CA 2.108 58.382 56.287 -0.021 0.000 0.927 75 K CB -0.218 32.270 32.500 -0.020 0.000 0.713 75 K HN 0.531 nan 8.250 nan 0.000 0.443 76 E N 0.293 120.477 120.200 -0.027 0.000 2.051 76 E HA -0.163 4.131 4.350 -0.092 0.000 0.192 76 E C 2.072 178.631 176.600 -0.067 0.000 0.991 76 E CA 1.226 57.604 56.400 -0.036 0.000 0.799 76 E CB 0.031 29.721 29.700 -0.016 0.000 0.748 76 E HN 0.074 nan 8.360 nan 0.000 0.449 77 V N 1.155 121.041 119.914 -0.045 0.000 2.379 77 V HA -0.190 3.875 4.120 -0.092 0.000 0.245 77 V C 2.448 178.444 176.094 -0.164 0.000 1.044 77 V CA 1.565 63.830 62.300 -0.060 0.000 1.036 77 V CB -0.754 31.108 31.823 0.064 0.000 0.664 77 V HN 0.243 nan 8.190 nan 0.000 0.453 78 A N 0.901 123.672 122.820 -0.082 0.000 1.940 78 A HA -0.234 4.031 4.320 -0.092 0.000 0.219 78 A C 2.565 180.064 177.584 -0.142 0.000 1.176 78 A CA 2.345 54.332 52.037 -0.082 0.000 0.631 78 A CB -0.805 18.175 19.000 -0.032 0.000 0.814 78 A HN 0.682 nan 8.150 nan 0.000 0.446 79 S N -0.203 115.415 115.700 -0.136 0.000 2.419 79 S HA -0.164 4.251 4.470 -0.092 0.000 0.233 79 S C 1.783 176.269 174.600 -0.189 0.000 1.016 79 S CA 1.478 59.603 58.200 -0.125 0.000 0.974 79 S CB -0.372 62.779 63.200 -0.083 0.000 0.786 79 S HN 0.605 nan 8.310 nan 0.000 0.492 80 K N 1.312 121.509 120.400 -0.339 0.000 2.147 80 K HA 0.093 4.358 4.320 -0.092 0.000 0.205 80 K C 2.507 178.796 176.600 -0.518 0.000 1.049 80 K CA 1.035 57.020 56.287 -0.503 0.000 0.936 80 K CB -0.513 31.474 32.500 -0.854 0.000 0.722 80 K HN 0.523 nan 8.250 nan 0.000 0.446 81 A N 1.741 124.269 122.820 -0.487 0.000 1.877 81 A HA -0.243 4.022 4.320 -0.092 0.000 0.216 81 A C 1.907 179.465 177.584 -0.044 0.000 1.186 81 A CA 1.996 53.960 52.037 -0.122 0.000 0.620 81 A CB -0.719 18.282 19.000 0.001 0.000 0.822 81 A HN 0.283 nan 8.150 nan 0.000 0.443 82 N N -0.005 118.654 118.700 -0.069 0.000 2.166 82 N HA -0.135 4.549 4.740 -0.092 0.000 0.186 82 N C 1.197 176.697 175.510 -0.017 0.000 1.019 82 N CA 1.561 54.587 53.050 -0.039 0.000 0.856 82 N CB -0.163 38.292 38.487 -0.053 0.000 0.993 82 N HN 0.441 nan 8.380 nan 0.000 0.426 83 D N -0.237 120.140 120.400 -0.039 0.000 2.117 83 D HA -0.094 4.490 4.640 -0.092 0.000 0.197 83 D C 1.723 178.042 176.300 0.032 0.000 0.987 83 D CA 1.162 55.158 54.000 -0.008 0.000 0.829 83 D CB -0.355 40.416 40.800 -0.048 0.000 0.961 83 D HN 0.358 nan 8.370 nan 0.000 0.460 84 A N 0.456 123.295 122.820 0.031 0.000 1.929 84 A HA 0.197 4.461 4.320 -0.092 0.000 0.216 84 A C 2.058 179.693 177.584 0.085 0.000 1.176 84 A CA 1.869 53.951 52.037 0.075 0.000 0.628 84 A CB -0.045 19.040 19.000 0.142 0.000 0.816 84 A HN 0.245 nan 8.150 nan 0.000 0.444 85 A N -3.264 119.609 122.820 0.087 0.000 2.390 85 A HA 0.473 4.737 4.320 -0.092 0.000 0.225 85 A C 1.653 179.305 177.584 0.113 0.000 1.232 85 A CA 1.009 53.101 52.037 0.091 0.000 0.964 85 A CB -0.093 18.953 19.000 0.077 0.000 1.064 85 A HN 1.835 nan 8.150 nan 0.000 0.525 86 G N -0.840 108.025 108.800 0.109 0.000 2.176 86 G HA2 -0.170 3.735 3.960 -0.092 0.000 0.253 86 G HA3 -0.170 3.735 3.960 -0.092 0.000 0.253 86 G C -0.153 174.724 174.900 -0.039 0.000 0.979 86 G CA 0.630 45.746 45.100 0.028 0.000 0.641 86 G HN 0.907 nan 8.290 nan 0.000 0.530 87 D N -2.787 117.611 120.400 -0.003 0.000 2.694 87 D HA 0.588 5.173 4.640 -0.092 0.000 0.260 87 D C 0.788 177.092 176.300 0.006 0.000 1.250 87 D CA 1.374 55.369 54.000 -0.009 0.000 0.763 87 D CB 0.465 41.264 40.800 -0.001 0.000 1.311 87 D HN 1.381 nan 8.370 nan 0.000 0.420 88 G N -0.104 108.698 108.800 0.003 0.000 2.192 88 G HA2 -0.243 3.661 3.960 -0.092 0.000 0.193 88 G HA3 -0.243 3.661 3.960 -0.092 0.000 0.193 88 G C 1.088 175.994 174.900 0.010 0.000 0.999 88 G CA 0.701 45.810 45.100 0.016 0.000 0.659 88 G HN 0.547 nan 8.290 nan 0.000 0.503 89 T N 1.182 115.730 114.554 -0.010 0.000 2.674 89 T HA -0.103 4.192 4.350 -0.092 0.000 0.265 89 T C 2.596 177.291 174.700 -0.008 0.000 1.039 89 T CA 2.497 64.585 62.100 -0.020 0.000 1.150 89 T CB -0.443 68.404 68.868 -0.036 0.000 0.864 89 T HN 0.447 nan 8.240 nan 0.000 0.427 90 T N 1.762 116.312 114.554 -0.007 0.000 2.684 90 T HA -0.127 4.168 4.350 -0.092 0.000 0.267 90 T C 2.259 176.963 174.700 0.008 0.000 1.036 90 T CA 1.753 63.852 62.100 -0.002 0.000 1.148 90 T CB -0.767 68.099 68.868 -0.004 0.000 0.863 90 T HN 0.417 nan 8.240 nan 0.000 0.436 91 T N 2.136 116.698 114.554 0.013 0.000 2.708 91 T HA -0.055 4.240 4.350 -0.092 0.000 0.266 91 T C 2.434 177.151 174.700 0.029 0.000 1.037 91 T CA 1.219 63.332 62.100 0.021 0.000 1.146 91 T CB -0.662 68.221 68.868 0.026 0.000 0.865 91 T HN 0.444 nan 8.240 nan 0.000 0.435 92 A N 1.408 124.249 122.820 0.035 0.000 1.940 92 A HA -0.166 4.098 4.320 -0.092 0.000 0.219 92 A C 2.550 180.156 177.584 0.037 0.000 1.176 92 A CA 2.204 54.270 52.037 0.049 0.000 0.631 92 A CB -1.297 17.739 19.000 0.061 0.000 0.814 92 A HN 0.507 nan 8.150 nan 0.000 0.446 93 T N -0.369 114.198 114.554 0.022 0.000 2.737 93 T HA -0.123 4.172 4.350 -0.092 0.000 0.265 93 T C 1.999 176.710 174.700 0.018 0.000 1.038 93 T CA 1.883 63.993 62.100 0.017 0.000 1.144 93 T CB -0.736 68.136 68.868 0.007 0.000 0.866 93 T HN 0.700 nan 8.240 nan 0.000 0.434 94 V N 0.464 120.389 119.914 0.018 0.000 2.548 94 V HA 0.024 4.089 4.120 -0.092 0.000 0.249 94 V C 2.167 178.274 176.094 0.020 0.000 1.055 94 V CA 1.270 63.580 62.300 0.017 0.000 1.065 94 V CB -0.961 30.871 31.823 0.015 0.000 0.681 94 V HN 0.440 nan 8.190 nan 0.000 0.462 95 L N 0.675 121.914 121.223 0.025 0.000 2.027 95 L HA -0.013 4.272 4.340 -0.092 0.000 0.206 95 L C 3.081 179.967 176.870 0.027 0.000 1.074 95 L CA 1.768 56.624 54.840 0.027 0.000 0.745 95 L CB -0.928 41.151 42.059 0.034 0.000 0.898 95 L HN 0.433 nan 8.230 nan 0.000 0.433 96 A N -0.522 122.316 122.820 0.031 0.000 1.883 96 A HA -0.323 3.942 4.320 -0.092 0.000 0.217 96 A C 2.252 179.851 177.584 0.024 0.000 1.186 96 A CA 2.101 54.157 52.037 0.031 0.000 0.624 96 A CB -0.714 18.306 19.000 0.034 0.000 0.822 96 A HN 0.521 nan 8.150 nan 0.000 0.444 97 Q N -0.642 119.170 119.800 0.021 0.000 2.096 97 Q HA -0.172 4.113 4.340 -0.092 0.000 0.204 97 Q C 2.178 178.188 176.000 0.016 0.000 0.982 97 Q CA 1.821 57.634 55.803 0.017 0.000 0.850 97 Q CB -0.345 28.402 28.738 0.015 0.000 0.901 97 Q HN 0.621 nan 8.270 nan 0.000 0.422 98 A N 0.562 123.392 122.820 0.017 0.000 1.898 98 A HA -0.123 4.141 4.320 -0.092 0.000 0.216 98 A C 1.966 179.559 177.584 0.015 0.000 1.181 98 A CA 1.226 53.272 52.037 0.015 0.000 0.620 98 A CB -0.545 18.465 19.000 0.016 0.000 0.819 98 A HN 0.472 nan 8.150 nan 0.000 0.442 99 I N -0.473 120.108 120.570 0.017 0.000 2.202 99 I HA -0.230 3.885 4.170 -0.092 0.000 0.242 99 I C 2.297 178.423 176.117 0.016 0.000 1.091 99 I CA 1.251 62.561 61.300 0.016 0.000 1.368 99 I CB -0.386 37.625 38.000 0.018 0.000 1.058 99 I HN 0.270 nan 8.210 nan 0.000 0.410 100 I N 0.506 121.086 120.570 0.017 0.000 2.179 100 I HA -0.273 3.842 4.170 -0.092 0.000 0.242 100 I C 2.607 178.733 176.117 0.014 0.000 1.088 100 I CA 1.625 62.935 61.300 0.017 0.000 1.357 100 I CB -0.637 37.374 38.000 0.018 0.000 1.051 100 I HN 0.227 nan 8.210 nan 0.000 0.409 101 T N 0.237 114.799 114.554 0.013 0.000 2.665 101 T HA -0.192 4.102 4.350 -0.092 0.000 0.268 101 T C 1.818 176.524 174.700 0.010 0.000 1.035 101 T CA 1.437 63.544 62.100 0.011 0.000 1.151 101 T CB -0.214 68.661 68.868 0.010 0.000 0.862 101 T HN 0.295 nan 8.240 nan 0.000 0.438 102 E N 0.600 120.806 120.200 0.010 0.000 2.107 102 E HA 0.030 4.325 4.350 -0.092 0.000 0.191 102 E C 2.605 179.211 176.600 0.009 0.000 0.982 102 E CA 0.966 57.371 56.400 0.009 0.000 0.809 102 E CB -0.914 28.791 29.700 0.009 0.000 0.756 102 E HN 0.561 nan 8.360 nan 0.000 0.459 103 G N 1.588 110.394 108.800 0.010 0.000 2.446 103 G HA2 -0.232 3.673 3.960 -0.092 0.000 0.217 103 G HA3 -0.232 3.673 3.960 -0.092 0.000 0.217 103 G C 1.724 176.630 174.900 0.010 0.000 1.168 103 G CA 0.697 45.803 45.100 0.011 0.000 0.771 103 G HN 0.186 nan 8.290 nan 0.000 0.551 104 L N -0.135 121.095 121.223 0.010 0.000 2.093 104 L HA -0.012 4.272 4.340 -0.092 0.000 0.208 104 L C 2.936 179.811 176.870 0.008 0.000 1.085 104 L CA 0.920 55.766 54.840 0.010 0.000 0.755 104 L CB -0.370 41.695 42.059 0.010 0.000 0.904 104 L HN 0.150 nan 8.230 nan 0.000 0.435 105 K N 0.436 120.840 120.400 0.007 0.000 2.074 105 K HA -0.201 4.063 4.320 -0.092 0.000 0.209 105 K C 2.199 178.802 176.600 0.006 0.000 1.048 105 K CA 1.642 57.932 56.287 0.006 0.000 0.926 105 K CB -0.206 32.297 32.500 0.006 0.000 0.713 105 K HN 0.313 nan 8.250 nan 0.000 0.444 106 A N 0.824 123.648 122.820 0.006 0.000 1.929 106 A HA -0.082 4.182 4.320 -0.092 0.000 0.216 106 A C 2.357 179.944 177.584 0.006 0.000 1.176 106 A CA 1.103 53.143 52.037 0.006 0.000 0.628 106 A CB -0.430 18.574 19.000 0.006 0.000 0.816 106 A HN 0.066 nan 8.150 nan 0.000 0.444 107 V N -0.032 119.886 119.914 0.008 0.000 2.295 107 V HA -0.242 3.823 4.120 -0.092 0.000 0.246 107 V C 3.034 179.133 176.094 0.007 0.000 1.049 107 V CA 1.902 64.207 62.300 0.009 0.000 1.024 107 V CB -1.190 30.640 31.823 0.011 0.000 0.648 107 V HN 0.588 nan 8.190 nan 0.000 0.447 108 A N -0.141 122.683 122.820 0.006 0.000 2.070 108 A HA -0.060 4.204 4.320 -0.092 0.000 0.220 108 A C 2.270 179.856 177.584 0.004 0.000 1.159 108 A CA 1.817 53.857 52.037 0.005 0.000 0.656 108 A CB -0.554 18.449 19.000 0.004 0.000 0.800 108 A HN 0.592 nan 8.150 nan 0.000 0.453 109 A N -2.026 120.797 122.820 0.004 0.000 2.167 109 A HA 0.395 4.659 4.320 -0.092 0.000 0.214 109 A C 1.784 179.369 177.584 0.003 0.000 1.151 109 A CA 1.362 53.401 52.037 0.003 0.000 0.735 109 A CB -0.623 18.378 19.000 0.003 0.000 0.802 109 A HN 1.823 nan 8.150 nan 0.000 0.467 110 G N -2.029 106.774 108.800 0.004 0.000 2.154 110 G HA2 -0.177 3.727 3.960 -0.092 0.000 0.186 110 G HA3 -0.177 3.727 3.960 -0.092 0.000 0.186 110 G C 0.095 174.997 174.900 0.004 0.000 1.000 110 G CA 0.053 45.155 45.100 0.004 0.000 0.664 110 G HN 0.330 nan 8.290 nan 0.000 0.513 111 M N 0.982 120.585 119.600 0.005 0.000 2.250 111 M HA 0.257 4.681 4.480 -0.092 0.000 0.344 111 M C 0.669 176.973 176.300 0.007 0.000 1.150 111 M CA -0.521 54.782 55.300 0.005 0.000 1.147 111 M CB 0.593 33.196 32.600 0.005 0.000 1.498 111 M HN 0.165 nan 8.290 nan 0.000 0.461 112 N N 3.285 121.989 118.700 0.007 0.000 2.452 112 N HA 0.066 4.750 4.740 -0.092 0.000 0.266 112 N C -2.055 173.460 175.510 0.009 0.000 1.209 112 N CA -1.091 51.963 53.050 0.008 0.000 0.929 112 N CB 1.108 39.599 38.487 0.007 0.000 1.063 112 N HN 0.311 nan 8.380 nan 0.000 0.472 113 P HA -0.095 nan 4.420 nan 0.000 0.218 113 P C 1.572 178.879 177.300 0.012 0.000 1.149 113 P CA 1.133 64.241 63.100 0.012 0.000 0.817 113 P CB 0.249 31.959 31.700 0.015 0.000 0.785 114 M N -0.894 118.712 119.600 0.011 0.000 2.175 114 M HA -0.095 4.330 4.480 -0.092 0.000 0.264 114 M C 1.411 177.716 176.300 0.008 0.000 1.063 114 M CA 1.565 56.871 55.300 0.010 0.000 1.119 114 M CB -1.565 31.041 32.600 0.010 0.000 1.377 114 M HN -0.044 nan 8.290 nan 0.000 0.415 115 D N 0.478 120.882 120.400 0.007 0.000 2.149 115 D HA -0.023 4.562 4.640 -0.092 0.000 0.201 115 D C 2.295 178.599 176.300 0.006 0.000 0.972 115 D CA 0.854 54.857 54.000 0.006 0.000 0.835 115 D CB -0.086 40.718 40.800 0.005 0.000 0.966 115 D HN 0.298 nan 8.370 nan 0.000 0.476 116 L N 0.652 121.879 121.223 0.007 0.000 2.046 116 L HA -0.165 4.119 4.340 -0.092 0.000 0.208 116 L C 2.505 179.379 176.870 0.007 0.000 1.077 116 L CA 1.138 55.982 54.840 0.007 0.000 0.747 116 L CB -0.275 41.789 42.059 0.008 0.000 0.896 116 L HN -0.037 nan 8.230 nan 0.000 0.432 117 K N 0.186 120.590 120.400 0.008 0.000 2.026 117 K HA -0.226 4.038 4.320 -0.092 0.000 0.208 117 K C 2.352 178.955 176.600 0.005 0.000 1.048 117 K CA 1.410 57.702 56.287 0.007 0.000 0.929 117 K CB -0.017 32.488 32.500 0.009 0.000 0.713 117 K HN 0.076 nan 8.250 nan 0.000 0.439 118 R N -0.378 120.124 120.500 0.004 0.000 2.096 118 R HA -0.102 4.183 4.340 -0.092 0.000 0.235 118 R C 2.277 178.578 176.300 0.002 0.000 1.127 118 R CA 1.590 57.691 56.100 0.002 0.000 0.968 118 R CB -0.434 29.868 30.300 0.003 0.000 0.861 118 R HN 0.394 nan 8.270 nan 0.000 0.440 119 G N 0.668 109.470 108.800 0.003 0.000 2.421 119 G HA2 -0.242 3.662 3.960 -0.092 0.000 0.216 119 G HA3 -0.242 3.662 3.960 -0.092 0.000 0.216 119 G C 1.397 176.298 174.900 0.003 0.000 1.171 119 G CA 0.853 45.955 45.100 0.003 0.000 0.775 119 G HN 0.238 nan 8.290 nan 0.000 0.543 120 I N 1.097 121.669 120.570 0.004 0.000 2.163 120 I HA -0.155 3.960 4.170 -0.092 0.000 0.243 120 I C 2.343 178.460 176.117 0.000 0.000 1.085 120 I CA 1.333 62.636 61.300 0.004 0.000 1.347 120 I CB -0.183 37.820 38.000 0.006 0.000 1.044 120 I HN 0.042 nan 8.210 nan 0.000 0.408 121 D N 0.742 121.141 120.400 -0.002 0.000 2.123 121 D HA -0.222 4.362 4.640 -0.092 0.000 0.196 121 D C 2.082 178.378 176.300 -0.007 0.000 0.992 121 D CA 1.241 55.237 54.000 -0.007 0.000 0.833 121 D CB -0.250 40.546 40.800 -0.007 0.000 0.954 121 D HN 0.288 nan 8.370 nan 0.000 0.455 122 K N 0.576 120.974 120.400 -0.004 0.000 2.057 122 K HA -0.083 4.182 4.320 -0.092 0.000 0.207 122 K C 2.015 178.614 176.600 -0.002 0.000 1.049 122 K CA 1.228 57.514 56.287 -0.003 0.000 0.931 122 K CB -0.033 32.466 32.500 -0.001 0.000 0.714 122 K HN 0.024 nan 8.250 nan 0.000 0.440 123 A N 0.473 123.293 122.820 -0.001 0.000 1.933 123 A HA -0.100 4.164 4.320 -0.092 0.000 0.218 123 A C 2.184 179.768 177.584 -0.000 0.000 1.175 123 A CA 1.519 53.557 52.037 0.001 0.000 0.628 123 A CB -0.465 18.537 19.000 0.003 0.000 0.814 123 A HN 0.180 nan 8.150 nan 0.000 0.444 124 V N -0.360 119.552 119.914 -0.003 0.000 2.323 124 V HA -0.189 3.875 4.120 -0.092 0.000 0.244 124 V C 2.740 178.828 176.094 -0.011 0.000 1.041 124 V CA 2.353 64.648 62.300 -0.007 0.000 1.025 124 V CB -1.231 30.584 31.823 -0.013 0.000 0.656 124 V HN 0.612 nan 8.190 nan 0.000 0.451 125 T N 0.868 115.415 114.554 -0.012 0.000 2.665 125 T HA -0.254 4.041 4.350 -0.092 0.000 0.268 125 T C 2.047 176.742 174.700 -0.007 0.000 1.035 125 T CA 1.855 63.948 62.100 -0.013 0.000 1.151 125 T CB -0.527 68.335 68.868 -0.011 0.000 0.862 125 T HN 0.564 nan 8.240 nan 0.000 0.438 126 A N 1.375 124.193 122.820 -0.004 0.000 1.933 126 A HA 0.195 4.460 4.320 -0.092 0.000 0.218 126 A C 2.664 180.249 177.584 0.001 0.000 1.175 126 A CA 1.806 53.843 52.037 -0.001 0.000 0.628 126 A CB -1.090 17.911 19.000 0.001 0.000 0.814 126 A HN 0.530 nan 8.150 nan 0.000 0.444 127 A N -0.550 122.271 122.820 0.002 0.000 1.898 127 A HA 0.009 4.273 4.320 -0.092 0.000 0.216 127 A C 2.208 179.794 177.584 0.004 0.000 1.181 127 A CA 1.709 53.749 52.037 0.005 0.000 0.620 127 A CB -0.958 18.046 19.000 0.006 0.000 0.819 127 A HN 0.387 nan 8.150 nan 0.000 0.442 128 V N -0.022 119.891 119.914 -0.001 0.000 2.392 128 V HA -0.248 3.816 4.120 -0.092 0.000 0.249 128 V C 2.595 178.689 176.094 0.000 0.000 1.059 128 V CA 2.437 64.736 62.300 -0.003 0.000 1.051 128 V CB -0.720 31.095 31.823 -0.013 0.000 0.658 128 V HN 0.605 nan 8.190 nan 0.000 0.455 129 E N 0.133 120.333 120.200 -0.000 0.000 2.077 129 E HA -0.210 4.084 4.350 -0.092 0.000 0.193 129 E C 2.146 178.749 176.600 0.005 0.000 0.989 129 E CA 1.215 57.617 56.400 0.002 0.000 0.800 129 E CB -0.205 29.495 29.700 0.001 0.000 0.746 129 E HN 0.561 nan 8.360 nan 0.000 0.452 130 E N -0.719 119.485 120.200 0.007 0.000 2.208 130 E HA -0.071 4.224 4.350 -0.092 0.000 0.193 130 E C 1.572 178.180 176.600 0.013 0.000 0.988 130 E CA 0.275 56.681 56.400 0.010 0.000 0.828 130 E CB -0.126 29.580 29.700 0.011 0.000 0.763 130 E HN 0.147 nan 8.360 nan 0.000 0.478 131 L N 0.637 121.868 121.223 0.013 0.000 2.156 131 L HA -0.048 4.237 4.340 -0.092 0.000 0.208 131 L C 1.637 178.516 176.870 0.014 0.000 1.095 131 L CA 1.654 56.503 54.840 0.015 0.000 0.770 131 L CB -0.214 41.853 42.059 0.014 0.000 0.914 131 L HN 0.012 nan 8.230 nan 0.000 0.439 132 K N -1.108 119.299 120.400 0.011 0.000 2.155 132 K HA -0.011 4.254 4.320 -0.092 0.000 0.203 132 K C 2.008 178.615 176.600 0.011 0.000 1.052 132 K CA 1.065 57.358 56.287 0.010 0.000 0.948 132 K CB -0.177 32.327 32.500 0.007 0.000 0.728 132 K HN 0.317 nan 8.250 nan 0.000 0.448 133 A N 1.395 124.222 122.820 0.011 0.000 1.968 133 A HA -0.062 4.202 4.320 -0.092 0.000 0.217 133 A C 1.996 179.589 177.584 0.015 0.000 1.169 133 A CA 0.844 52.888 52.037 0.012 0.000 0.638 133 A CB -0.345 18.662 19.000 0.011 0.000 0.812 133 A HN 0.195 nan 8.150 nan 0.000 0.446 134 L N -0.534 120.699 121.223 0.018 0.000 2.240 134 L HA 0.025 4.309 4.340 -0.092 0.000 0.211 134 L C 1.236 178.119 176.870 0.022 0.000 1.106 134 L CA 0.430 55.284 54.840 0.023 0.000 0.793 134 L CB -0.230 41.845 42.059 0.026 0.000 0.927 134 L HN 0.387 nan 8.230 nan 0.000 0.446 135 S N -0.309 115.402 115.700 0.019 0.000 2.552 135 S HA 0.102 4.517 4.470 -0.092 0.000 0.289 135 S C -0.209 174.400 174.600 0.016 0.000 1.304 135 S CA -0.387 57.824 58.200 0.017 0.000 1.063 135 S CB 0.680 63.889 63.200 0.015 0.000 0.848 135 S HN 0.043 nan 8.310 nan 0.000 0.499 136 V N 8.353 128.276 119.914 0.016 0.000 2.370 136 V HA 0.400 4.464 4.120 -0.092 0.000 0.283 136 V C -2.090 174.011 176.094 0.012 0.000 1.023 136 V CA -1.835 60.474 62.300 0.014 0.000 0.857 136 V CB 1.339 33.171 31.823 0.015 0.000 0.985 136 V HN 0.753 nan 8.190 nan 0.000 0.443 137 P HA 0.226 nan 4.420 nan 0.000 0.274 137 P C -0.654 176.650 177.300 0.008 0.000 1.237 137 P CA -0.421 62.684 63.100 0.009 0.000 0.793 137 P CB 0.499 32.203 31.700 0.008 0.000 0.977 138 C N 2.104 121.408 119.300 0.007 0.000 2.566 138 C HA 0.234 4.638 4.460 -0.092 0.000 0.300 138 C C 1.748 176.740 174.990 0.004 0.000 1.147 138 C CA 0.168 59.189 59.018 0.005 0.000 1.644 138 C CB -1.305 26.438 27.740 0.006 0.000 1.691 138 C HN 0.575 nan 8.230 nan 0.000 0.440 139 S N 1.794 117.497 115.700 0.004 0.000 2.311 139 S HA -0.050 4.365 4.470 -0.092 0.000 0.209 139 S C 0.689 175.290 174.600 0.001 0.000 1.029 139 S CA 0.859 59.061 58.200 0.003 0.000 0.968 139 S CB -0.249 62.953 63.200 0.003 0.000 0.946 139 S HN 0.901 nan 8.310 nan 0.000 0.450 140 D N 1.188 121.589 120.400 0.002 0.000 2.384 140 D HA 0.220 4.804 4.640 -0.092 0.000 0.244 140 D C 0.951 177.251 176.300 0.000 0.000 1.251 140 D CA 0.156 54.156 54.000 0.001 0.000 0.961 140 D CB 0.270 41.071 40.800 0.001 0.000 1.116 140 D HN 0.248 nan 8.370 nan 0.000 0.484 141 S N -1.409 114.291 115.700 -0.000 0.000 2.562 141 S HA -0.110 4.304 4.470 -0.092 0.000 0.221 141 S C 1.484 176.083 174.600 -0.000 0.000 0.975 141 S CA 0.244 58.443 58.200 -0.001 0.000 0.918 141 S CB -0.358 62.841 63.200 -0.002 0.000 0.772 141 S HN 0.520 nan 8.310 nan 0.000 0.531 142 K N 1.470 121.870 120.400 -0.000 0.000 2.031 142 K HA 0.070 4.335 4.320 -0.092 0.000 0.205 142 K C 2.301 178.902 176.600 0.000 0.000 1.049 142 K CA 1.111 57.398 56.287 0.000 0.000 0.939 142 K CB -0.588 31.912 32.500 0.000 0.000 0.717 142 K HN 0.438 nan 8.250 nan 0.000 0.438 143 A N 1.466 124.286 122.820 0.001 0.000 1.898 143 A HA -0.116 4.148 4.320 -0.092 0.000 0.216 143 A C 2.081 179.666 177.584 0.002 0.000 1.181 143 A CA 1.259 53.297 52.037 0.002 0.000 0.620 143 A CB -0.542 18.460 19.000 0.003 0.000 0.819 143 A HN 0.330 nan 8.150 nan 0.000 0.442 144 I N -0.129 120.442 120.570 0.001 0.000 2.163 144 I HA -0.339 3.776 4.170 -0.092 0.000 0.243 144 I C 2.976 179.094 176.117 0.001 0.000 1.085 144 I CA 1.197 62.498 61.300 0.001 0.000 1.347 144 I CB -0.322 37.678 38.000 -0.000 0.000 1.044 144 I HN 0.373 nan 8.210 nan 0.000 0.408 145 A N 0.862 123.682 122.820 0.000 0.000 1.877 145 A HA -0.259 4.006 4.320 -0.092 0.000 0.216 145 A C 2.304 179.888 177.584 -0.000 0.000 1.186 145 A CA 1.884 53.921 52.037 -0.000 0.000 0.620 145 A CB -0.771 18.229 19.000 -0.001 0.000 0.822 145 A HN 0.654 nan 8.150 nan 0.000 0.443 146 Q N -0.618 119.182 119.800 -0.000 0.000 2.297 146 Q HA -0.018 4.267 4.340 -0.092 0.000 0.204 146 Q C 1.676 177.675 176.000 -0.001 0.000 0.962 146 Q CA 1.551 57.353 55.803 -0.001 0.000 0.879 146 Q CB -0.453 28.284 28.738 -0.002 0.000 0.947 146 Q HN 0.356 nan 8.270 nan 0.000 0.462 147 V N 1.625 121.539 119.914 0.001 0.000 2.453 147 V HA -0.102 3.962 4.120 -0.092 0.000 0.247 147 V C 2.428 178.525 176.094 0.005 0.000 1.048 147 V CA 1.811 64.113 62.300 0.003 0.000 1.049 147 V CB -0.858 30.968 31.823 0.006 0.000 0.672 147 V HN 0.598 nan 8.190 nan 0.000 0.457 148 G N -0.129 108.674 108.800 0.005 0.000 2.418 148 G HA2 -0.237 3.668 3.960 -0.092 0.000 0.217 148 G HA3 -0.237 3.668 3.960 -0.092 0.000 0.217 148 G C 1.689 176.591 174.900 0.003 0.000 1.158 148 G CA 1.564 46.668 45.100 0.007 0.000 0.771 148 G HN 0.460 nan 8.290 nan 0.000 0.545 149 T N 1.408 115.962 114.554 0.000 0.000 2.684 149 T HA -0.104 4.190 4.350 -0.092 0.000 0.267 149 T C 2.375 177.072 174.700 -0.005 0.000 1.036 149 T CA 1.175 63.274 62.100 -0.003 0.000 1.148 149 T CB -0.185 68.680 68.868 -0.004 0.000 0.863 149 T HN 0.240 nan 8.240 nan 0.000 0.436 150 I N 1.264 121.831 120.570 -0.005 0.000 2.226 150 I HA -0.159 3.956 4.170 -0.092 0.000 0.245 150 I C 2.485 178.598 176.117 -0.008 0.000 1.100 150 I CA 1.057 62.352 61.300 -0.009 0.000 1.374 150 I CB -0.274 37.720 38.000 -0.009 0.000 1.057 150 I HN 0.172 nan 8.210 nan 0.000 0.413 151 S N 0.495 116.194 115.700 -0.002 0.000 2.507 151 S HA 0.038 4.452 4.470 -0.092 0.000 0.235 151 S C 1.425 176.023 174.600 -0.002 0.000 0.988 151 S CA 0.900 59.100 58.200 0.000 0.000 0.944 151 S CB -0.113 63.093 63.200 0.010 0.000 0.762 151 S HN 0.497 nan 8.310 nan 0.000 0.526 152 A N 1.246 124.064 122.820 -0.003 0.000 2.701 152 A HA 0.480 4.745 4.320 -0.092 0.000 0.297 152 A C 0.232 177.811 177.584 -0.009 0.000 1.197 152 A CA -0.747 51.288 52.037 -0.005 0.000 0.963 152 A CB -0.660 18.339 19.000 -0.001 0.000 1.175 152 A HN 0.429 nan 8.150 nan 0.000 0.531 153 N N 0.224 118.917 118.700 -0.012 0.000 2.727 153 N HA -0.194 4.491 4.740 -0.092 0.000 0.251 153 N C 0.329 175.831 175.510 -0.015 0.000 1.040 153 N CA 0.511 53.552 53.050 -0.015 0.000 0.712 153 N CB -1.462 37.016 38.487 -0.016 0.000 0.912 153 N HN 0.463 nan 8.380 nan 0.000 0.545 154 S N -2.233 113.459 115.700 -0.014 0.000 3.490 154 S HA -0.229 4.186 4.470 -0.092 0.000 0.301 154 S C -0.109 174.484 174.600 -0.010 0.000 1.233 154 S CA 1.033 59.225 58.200 -0.013 0.000 0.914 154 S CB -0.689 62.501 63.200 -0.016 0.000 1.047 154 S HN 0.722 nan 8.310 nan 0.000 0.602 155 D N 1.464 121.859 120.400 -0.009 0.000 2.365 155 D HA 0.262 4.847 4.640 -0.092 0.000 0.237 155 D C 1.074 177.371 176.300 -0.005 0.000 1.190 155 D CA -0.193 53.803 54.000 -0.007 0.000 0.867 155 D CB 0.510 41.307 40.800 -0.006 0.000 1.050 155 D HN 0.453 nan 8.370 nan 0.000 0.491 156 E N 1.328 121.525 120.200 -0.005 0.000 2.268 156 E HA -0.102 4.193 4.350 -0.092 0.000 0.195 156 E C 1.369 177.967 176.600 -0.003 0.000 0.995 156 E CA 0.828 57.225 56.400 -0.004 0.000 0.836 156 E CB 0.294 29.991 29.700 -0.005 0.000 0.763 156 E HN 0.504 nan 8.360 nan 0.000 0.491 157 T N 0.849 115.401 114.554 -0.003 0.000 2.708 157 T HA -0.132 4.163 4.350 -0.092 0.000 0.266 157 T C 2.157 176.856 174.700 -0.002 0.000 1.037 157 T CA 1.128 63.226 62.100 -0.003 0.000 1.146 157 T CB -0.238 68.628 68.868 -0.003 0.000 0.865 157 T HN 0.003 nan 8.240 nan 0.000 0.435 158 V N 1.595 121.508 119.914 -0.001 0.000 2.407 158 V HA -0.094 3.970 4.120 -0.092 0.000 0.248 158 V C 2.886 178.981 176.094 0.002 0.000 1.055 158 V CA 1.851 64.151 62.300 0.001 0.000 1.049 158 V CB -1.514 30.311 31.823 0.002 0.000 0.662 158 V HN 0.601 nan 8.190 nan 0.000 0.455 159 G N 1.311 110.111 108.800 0.000 0.000 2.459 159 G HA2 -0.328 3.577 3.960 -0.092 0.000 0.217 159 G HA3 -0.328 3.577 3.960 -0.092 0.000 0.217 159 G C 1.512 176.412 174.900 -0.000 0.000 1.183 159 G CA 1.285 46.385 45.100 0.000 0.000 0.776 159 G HN 0.674 nan 8.290 nan 0.000 0.552 160 K N 0.058 120.457 120.400 -0.001 0.000 2.365 160 K HA 0.322 4.586 4.320 -0.092 0.000 0.197 160 K C 2.243 178.842 176.600 -0.001 0.000 1.042 160 K CA 0.247 56.533 56.287 -0.001 0.000 0.987 160 K CB -0.204 32.295 32.500 -0.002 0.000 0.779 160 K HN 0.330 nan 8.250 nan 0.000 0.484 161 L N 1.116 122.338 121.223 -0.001 0.000 1.994 161 L HA -0.129 4.156 4.340 -0.092 0.000 0.208 161 L C 2.409 179.278 176.870 -0.001 0.000 1.071 161 L CA 1.356 56.195 54.840 -0.001 0.000 0.745 161 L CB -0.240 41.819 42.059 -0.000 0.000 0.892 161 L HN 0.211 nan 8.230 nan 0.000 0.431 162 I N -0.591 119.979 120.570 -0.000 0.000 2.226 162 I HA -0.286 3.828 4.170 -0.092 0.000 0.245 162 I C 2.749 178.865 176.117 -0.003 0.000 1.100 162 I CA 1.120 62.420 61.300 -0.001 0.000 1.374 162 I CB -0.476 37.525 38.000 0.002 0.000 1.057 162 I HN 0.219 nan 8.210 nan 0.000 0.413 163 A N 0.477 123.296 122.820 -0.002 0.000 1.908 163 A HA -0.256 4.009 4.320 -0.092 0.000 0.218 163 A C 2.215 179.797 177.584 -0.003 0.000 1.181 163 A CA 1.939 53.974 52.037 -0.002 0.000 0.627 163 A CB -0.616 18.383 19.000 -0.002 0.000 0.818 163 A HN 0.457 nan 8.150 nan 0.000 0.445 164 E N -0.534 119.664 120.200 -0.003 0.000 2.107 164 E HA -0.016 4.278 4.350 -0.092 0.000 0.191 164 E C 2.300 178.897 176.600 -0.005 0.000 0.982 164 E CA 0.763 57.161 56.400 -0.004 0.000 0.809 164 E CB -0.241 29.457 29.700 -0.003 0.000 0.756 164 E HN 0.628 nan 8.360 nan 0.000 0.459 165 A N 1.073 123.890 122.820 -0.005 0.000 1.877 165 A HA -0.174 4.091 4.320 -0.092 0.000 0.216 165 A C 2.149 179.728 177.584 -0.009 0.000 1.186 165 A CA 1.245 53.278 52.037 -0.007 0.000 0.620 165 A CB -0.375 18.620 19.000 -0.008 0.000 0.822 165 A HN 0.139 nan 8.150 nan 0.000 0.443 166 M N -0.989 118.606 119.600 -0.008 0.000 2.229 166 M HA -0.142 4.283 4.480 -0.092 0.000 0.264 166 M C 1.754 178.049 176.300 -0.007 0.000 1.063 166 M CA 1.802 57.096 55.300 -0.009 0.000 1.114 166 M CB -0.583 32.011 32.600 -0.009 0.000 1.387 166 M HN 0.486 nan 8.290 nan 0.000 0.420 167 D N 0.628 121.024 120.400 -0.006 0.000 2.178 167 D HA -0.130 4.455 4.640 -0.092 0.000 0.202 167 D C 2.058 178.355 176.300 -0.005 0.000 0.974 167 D CA 1.105 55.102 54.000 -0.005 0.000 0.841 167 D CB 0.263 41.061 40.800 -0.004 0.000 0.953 167 D HN 0.026 nan 8.370 nan 0.000 0.478 168 K N -0.278 120.118 120.400 -0.006 0.000 2.062 168 K HA -0.017 4.248 4.320 -0.092 0.000 0.205 168 K C 1.781 178.377 176.600 -0.007 0.000 1.051 168 K CA 1.140 57.423 56.287 -0.006 0.000 0.941 168 K CB 0.111 32.607 32.500 -0.006 0.000 0.719 168 K HN 0.282 nan 8.250 nan 0.000 0.440 169 V N -3.365 116.544 119.914 -0.008 0.000 3.477 169 V HA 0.405 4.470 4.120 -0.092 0.000 0.297 169 V C 0.514 176.603 176.094 -0.009 0.000 1.433 169 V CA 0.111 62.406 62.300 -0.009 0.000 1.052 169 V CB -0.103 31.713 31.823 -0.010 0.000 0.895 169 V HN 0.324 nan 8.190 nan 0.000 0.438 170 G N 1.176 109.971 108.800 -0.009 0.000 2.746 170 G HA2 -0.182 3.723 3.960 -0.092 0.000 0.685 170 G HA3 -0.182 3.723 3.960 -0.092 0.000 0.685 170 G C 0.017 174.911 174.900 -0.010 0.000 1.350 170 G CA 0.037 45.132 45.100 -0.008 0.000 0.837 170 G HN 0.286 nan 8.290 nan 0.000 0.564 171 K N -0.070 120.325 120.400 -0.009 0.000 2.365 171 K HA 0.015 4.280 4.320 -0.092 0.000 0.199 171 K C 1.678 178.269 176.600 -0.014 0.000 1.045 171 K CA 1.537 57.818 56.287 -0.011 0.000 0.962 171 K CB 0.138 32.633 32.500 -0.007 0.000 0.759 171 K HN 0.599 nan 8.250 nan 0.000 0.469 172 E N 0.111 120.303 120.200 -0.013 0.000 2.538 172 E HA 0.076 4.370 4.350 -0.092 0.000 0.207 172 E C 0.514 177.104 176.600 -0.017 0.000 1.002 172 E CA -0.489 55.902 56.400 -0.015 0.000 0.952 172 E CB 0.985 30.679 29.700 -0.011 0.000 1.031 172 E HN 0.210 nan 8.360 nan 0.000 0.476 173 G N 0.687 109.477 108.800 -0.017 0.000 2.684 173 G HA2 0.189 4.094 3.960 -0.092 0.000 0.255 173 G HA3 0.189 4.094 3.960 -0.092 0.000 0.255 173 G C -0.009 174.877 174.900 -0.023 0.000 1.219 173 G CA -0.455 44.635 45.100 -0.016 0.000 0.901 173 G HN 0.005 nan 8.290 nan 0.000 0.548 174 V N 1.007 120.908 119.914 -0.022 0.000 2.364 174 V HA 0.302 4.366 4.120 -0.092 0.000 0.272 174 V C 0.138 176.214 176.094 -0.029 0.000 1.036 174 V CA -0.146 62.136 62.300 -0.030 0.000 0.880 174 V CB 0.716 32.524 31.823 -0.025 0.000 0.991 174 V HN 0.438 nan 8.190 nan 0.000 0.460 175 I N 4.329 124.876 120.570 -0.038 0.000 2.355 175 I HA 0.406 4.520 4.170 -0.092 0.000 0.288 175 I C 0.239 176.337 176.117 -0.033 0.000 0.999 175 I CA 0.050 61.331 61.300 -0.031 0.000 1.163 175 I CB 1.919 39.901 38.000 -0.030 0.000 1.316 175 I HN 0.526 nan 8.210 nan 0.000 0.454 176 T N 5.543 120.083 114.554 -0.023 0.000 2.912 176 T HA 0.646 4.940 4.350 -0.092 0.000 0.288 176 T C -1.214 173.482 174.700 -0.008 0.000 1.030 176 T CA -0.498 61.592 62.100 -0.017 0.000 1.020 176 T CB 1.919 70.775 68.868 -0.019 0.000 1.056 176 T HN 0.332 nan 8.240 nan 0.000 0.480 177 V N 4.452 124.366 119.914 -0.000 0.000 2.638 177 V HA 0.832 4.897 4.120 -0.092 0.000 0.306 177 V C -1.056 175.041 176.094 0.004 0.000 1.052 177 V CA -0.489 61.813 62.300 0.004 0.000 0.885 177 V CB 1.596 33.426 31.823 0.011 0.000 0.999 177 V HN 1.065 nan 8.190 nan 0.000 0.424 178 E N 3.276 123.476 120.200 0.001 0.000 2.456 178 E HA 0.510 4.804 4.350 -0.092 0.000 0.276 178 E C -1.503 175.097 176.600 -0.001 0.000 0.981 178 E CA -1.079 55.321 56.400 -0.000 0.000 0.814 178 E CB 1.406 31.103 29.700 -0.004 0.000 1.382 178 E HN 0.501 nan 8.360 nan 0.000 0.459 179 D N 0.590 120.989 120.400 -0.001 0.000 2.525 179 D HA 0.210 4.794 4.640 -0.092 0.000 0.235 179 D C 0.258 176.556 176.300 -0.002 0.000 1.137 179 D CA 0.878 54.877 54.000 -0.001 0.000 0.868 179 D CB 0.757 41.556 40.800 -0.002 0.000 1.180 179 D HN 0.566 nan 8.370 nan 0.000 0.465 180 G N -0.007 108.792 108.800 -0.002 0.000 2.588 180 G HA2 0.381 4.286 3.960 -0.092 0.000 0.281 180 G HA3 0.381 4.286 3.960 -0.092 0.000 0.281 180 G C 0.742 175.641 174.900 -0.003 0.000 1.236 180 G CA -0.167 44.932 45.100 -0.003 0.000 0.969 180 G HN 0.496 nan 8.290 nan 0.000 0.504 181 T N -3.673 110.879 114.554 -0.003 0.000 3.040 181 T HA 0.548 4.843 4.350 -0.092 0.000 0.266 181 T C 0.857 175.556 174.700 -0.003 0.000 1.005 181 T CA 0.675 62.773 62.100 -0.003 0.000 0.906 181 T CB 0.512 69.378 68.868 -0.004 0.000 1.082 181 T HN 1.264 nan 8.240 nan 0.000 0.531 182 G N 0.518 109.316 108.800 -0.002 0.000 2.588 182 G HA2 0.434 4.339 3.960 -0.092 0.000 0.281 182 G HA3 0.434 4.339 3.960 -0.092 0.000 0.281 182 G C -0.227 174.672 174.900 -0.002 0.000 1.223 182 G CA -0.089 45.009 45.100 -0.002 0.000 0.871 182 G HN 0.060 nan 8.290 nan 0.000 0.492 183 L N -0.002 121.219 121.223 -0.002 0.000 2.179 183 L HA 0.303 4.587 4.340 -0.092 0.000 0.208 183 L C 0.789 177.658 176.870 -0.002 0.000 1.096 183 L CA 1.414 56.252 54.840 -0.002 0.000 0.779 183 L CB -0.482 41.576 42.059 -0.002 0.000 0.922 183 L HN 0.538 nan 8.230 nan 0.000 0.443 184 Q N 0.886 120.685 119.800 -0.002 0.000 2.230 184 Q HA 0.166 4.450 4.340 -0.092 0.000 0.253 184 Q C -0.756 175.243 176.000 -0.003 0.000 0.919 184 Q CA -0.813 54.989 55.803 -0.003 0.000 0.908 184 Q CB 1.479 30.216 28.738 -0.003 0.000 1.245 184 Q HN 0.203 nan 8.270 nan 0.000 0.437 185 D N 2.127 122.525 120.400 -0.002 0.000 2.382 185 D HA 0.085 4.669 4.640 -0.092 0.000 0.240 185 D C -0.426 175.873 176.300 -0.003 0.000 1.146 185 D CA 0.516 54.515 54.000 -0.002 0.000 0.897 185 D CB 0.840 41.639 40.800 -0.002 0.000 1.197 185 D HN 0.397 nan 8.370 nan 0.000 0.432 186 E N -0.164 120.034 120.200 -0.003 0.000 2.317 186 E HA 0.545 4.840 4.350 -0.092 0.000 0.270 186 E C -1.145 175.453 176.600 -0.004 0.000 0.885 186 E CA -0.921 55.476 56.400 -0.004 0.000 0.760 186 E CB 2.521 32.219 29.700 -0.004 0.000 1.227 186 E HN 0.075 nan 8.360 nan 0.000 0.434 187 L N 2.389 123.609 121.223 -0.004 0.000 2.441 187 L HA 0.481 4.765 4.340 -0.092 0.000 0.270 187 L C -1.904 174.963 176.870 -0.005 0.000 0.973 187 L CA -0.166 54.671 54.840 -0.005 0.000 0.842 187 L CB 1.479 43.536 42.059 -0.004 0.000 1.239 187 L HN 0.429 nan 8.230 nan 0.000 0.406 188 D N 4.200 124.596 120.400 -0.006 0.000 2.879 188 D HA 0.424 5.008 4.640 -0.092 0.000 0.236 188 D C -1.015 175.281 176.300 -0.007 0.000 1.171 188 D CA -0.259 53.737 54.000 -0.006 0.000 0.868 188 D CB 3.066 43.862 40.800 -0.006 0.000 1.598 188 D HN 0.251 nan 8.370 nan 0.000 0.497 189 V N 1.975 121.885 119.914 -0.006 0.000 2.383 189 V HA 0.375 4.440 4.120 -0.092 0.000 0.275 189 V C 0.495 176.586 176.094 -0.006 0.000 1.036 189 V CA -0.528 61.768 62.300 -0.006 0.000 0.889 189 V CB 1.174 32.994 31.823 -0.006 0.000 0.985 189 V HN 0.411 nan 8.190 nan 0.000 0.459 190 V N 1.738 121.649 119.914 -0.006 0.000 3.001 190 V HA 0.664 4.729 4.120 -0.092 0.000 0.314 190 V C -0.200 175.891 176.094 -0.004 0.000 1.099 190 V CA -1.129 61.168 62.300 -0.006 0.000 0.989 190 V CB 2.099 33.917 31.823 -0.008 0.000 1.040 190 V HN 0.682 nan 8.190 nan 0.000 0.434 191 E N 1.884 122.082 120.200 -0.003 0.000 2.498 191 E HA 0.486 4.780 4.350 -0.092 0.000 0.252 191 E C 0.304 176.906 176.600 0.003 0.000 1.025 191 E CA 0.935 57.335 56.400 0.000 0.000 0.938 191 E CB 0.601 30.302 29.700 0.000 0.000 0.947 191 E HN 1.178 nan 8.360 nan 0.000 0.478 192 G N 1.607 110.412 108.800 0.008 0.000 2.600 192 G HA2 0.632 4.537 3.960 -0.092 0.000 0.293 192 G HA3 0.632 4.537 3.960 -0.092 0.000 0.293 192 G C -1.160 173.757 174.900 0.028 0.000 1.408 192 G CA -0.678 44.431 45.100 0.015 0.000 0.782 192 G HN 0.375 nan 8.290 nan 0.000 0.482 193 M N -0.167 119.458 119.600 0.042 0.000 2.603 193 M HA 0.523 4.948 4.480 -0.092 0.000 0.275 193 M C -2.020 174.321 176.300 0.068 0.000 1.226 193 M CA -0.662 54.682 55.300 0.074 0.000 0.870 193 M CB 2.819 35.494 32.600 0.125 0.000 1.716 193 M HN 0.717 nan 8.290 nan 0.000 0.482 194 Q N 2.956 122.803 119.800 0.078 0.000 2.289 194 Q HA 0.655 4.939 4.340 -0.092 0.000 0.270 194 Q C -2.211 173.843 176.000 0.091 0.000 1.038 194 Q CA -0.642 55.153 55.803 -0.012 0.000 0.812 194 Q CB 2.078 30.782 28.738 -0.056 0.000 1.300 194 Q HN 0.571 nan 8.270 nan 0.000 0.427 195 F N -0.165 119.780 119.950 -0.008 0.000 2.593 195 F HA 0.558 5.029 4.527 -0.093 0.000 0.320 195 F C -0.723 175.075 175.800 -0.004 0.000 1.060 195 F CA -1.260 56.737 58.000 -0.004 0.000 0.940 195 F CB 1.150 40.150 39.000 -0.000 0.000 1.268 195 F HN 0.380 nan 8.300 nan 0.000 0.475 196 D N 1.965 122.474 120.400 0.181 0.000 2.934 196 D HA 0.222 4.806 4.640 -0.092 0.000 0.237 196 D C -0.463 175.886 176.300 0.082 0.000 1.158 196 D CA 0.050 54.094 54.000 0.073 0.000 0.971 196 D CB -0.114 40.730 40.800 0.072 0.000 1.123 196 D HN 0.241 nan 8.370 nan 0.000 0.467 197 R N 0.488 121.018 120.500 0.050 0.000 2.574 197 R HA 0.659 4.943 4.340 -0.092 0.000 0.288 197 R C 0.280 176.543 176.300 -0.061 0.000 1.004 197 R CA -0.765 55.366 56.100 0.052 0.000 0.895 197 R CB 2.055 32.478 30.300 0.206 0.000 1.191 197 R HN 0.246 nan 8.270 nan 0.000 0.444 198 G N 0.977 109.718 108.800 -0.097 0.000 2.753 198 G HA2 0.441 4.346 3.960 -0.092 0.000 0.285 198 G HA3 0.441 4.346 3.960 -0.092 0.000 0.285 198 G C -0.650 174.180 174.900 -0.117 0.000 1.344 198 G CA -0.617 44.357 45.100 -0.209 0.000 1.050 198 G HN 0.463 nan 8.290 nan 0.000 0.532 199 Y N -1.150 119.199 120.300 0.082 0.000 2.652 199 Y HA 0.329 4.824 4.550 -0.091 0.000 0.344 199 Y C 1.199 177.222 175.900 0.205 0.000 1.254 199 Y CA -0.690 57.514 58.100 0.174 0.000 1.480 199 Y CB 0.381 39.000 38.460 0.265 0.000 1.345 199 Y HN 0.181 nan 8.280 nan 0.000 0.617 200 L N 0.984 122.519 121.223 0.519 0.000 2.249 200 L HA 0.094 4.379 4.340 -0.092 0.000 0.207 200 L C 0.964 178.049 176.870 0.359 0.000 1.090 200 L CA 0.801 55.869 54.840 0.381 0.000 0.802 200 L CB 0.031 42.291 42.059 0.335 0.000 0.947 200 L HN 0.722 nan 8.230 nan 0.000 0.453 201 S N -0.872 115.052 115.700 0.373 0.000 2.500 201 S HA 0.383 4.798 4.470 -0.092 0.000 0.301 201 S C -1.930 172.608 174.600 -0.103 0.000 1.092 201 S CA -1.534 56.659 58.200 -0.011 0.000 1.030 201 S CB 1.559 64.495 63.200 -0.440 0.000 1.031 201 S HN -0.141 nan 8.310 nan 0.000 0.483 202 P HA -0.036 nan 4.420 nan 0.000 0.230 202 P C 0.333 177.287 177.300 -0.576 0.000 1.158 202 P CA 0.859 63.681 63.100 -0.463 0.000 0.769 202 P CB -0.116 31.393 31.700 -0.319 0.000 0.807 203 Y N -1.899 118.145 120.300 -0.426 0.000 2.529 203 Y HA 0.151 4.646 4.550 -0.092 0.000 0.290 203 Y C 1.946 177.658 175.900 -0.313 0.000 1.177 203 Y CA 0.306 58.196 58.100 -0.350 0.000 1.305 203 Y CB -1.068 37.201 38.460 -0.319 0.000 1.047 203 Y HN -0.115 nan 8.280 nan 0.000 0.522 204 F N -0.508 119.396 119.950 -0.077 0.000 2.615 204 F HA 0.053 4.523 4.527 -0.094 0.000 0.297 204 F C 0.891 176.620 175.800 -0.118 0.000 1.124 204 F CA -0.175 57.785 58.000 -0.067 0.000 1.451 204 F CB 0.062 39.040 39.000 -0.036 0.000 1.103 204 F HN -0.135 nan 8.300 nan 0.000 0.569 205 I N 2.715 123.232 120.570 -0.087 0.000 2.668 205 I HA -0.136 3.979 4.170 -0.092 0.000 0.285 205 I C 0.584 176.679 176.117 -0.038 0.000 1.168 205 I CA 0.242 61.474 61.300 -0.113 0.000 1.424 205 I CB 0.379 38.235 38.000 -0.240 0.000 1.377 205 I HN 0.227 nan 8.210 nan 0.000 0.560 206 N N 5.231 123.928 118.700 -0.005 0.000 2.171 206 N HA 0.006 4.690 4.740 -0.092 0.000 0.212 206 N C 0.154 175.664 175.510 0.000 0.000 1.184 206 N CA -0.229 52.825 53.050 0.006 0.000 0.888 206 N CB 0.328 38.830 38.487 0.024 0.000 1.038 206 N HN 0.481 nan 8.380 nan 0.000 0.517 207 K N 1.535 121.932 120.400 -0.005 0.000 2.423 207 K HA 0.365 4.629 4.320 -0.092 0.000 0.234 207 K C -2.087 174.503 176.600 -0.016 0.000 1.051 207 K CA -1.778 54.507 56.287 -0.004 0.000 1.021 207 K CB 1.337 33.842 32.500 0.008 0.000 1.474 207 K HN -0.192 nan 8.250 nan 0.000 0.474 208 P HA -0.093 nan 4.420 nan 0.000 0.223 208 P C 0.142 177.422 177.300 -0.034 0.000 1.151 208 P CA 0.834 63.913 63.100 -0.036 0.000 0.787 208 P CB 0.408 32.088 31.700 -0.033 0.000 0.788 209 E N -0.437 119.746 120.200 -0.028 0.000 2.038 209 E HA -0.149 4.145 4.350 -0.092 0.000 0.195 209 E C 1.658 178.230 176.600 -0.047 0.000 1.000 209 E CA 2.232 58.611 56.400 -0.035 0.000 0.803 209 E CB -1.237 28.445 29.700 -0.030 0.000 0.750 209 E HN 0.356 nan 8.360 nan 0.000 0.448 210 T N -3.841 110.690 114.554 -0.037 0.000 3.084 210 T HA 0.411 4.705 4.350 -0.092 0.000 0.270 210 T C 1.025 175.726 174.700 0.001 0.000 1.008 210 T CA -0.000 62.072 62.100 -0.046 0.000 0.900 210 T CB 0.557 69.389 68.868 -0.060 0.000 1.084 210 T HN 0.295 nan 8.240 nan 0.000 0.538 211 G N 1.115 109.917 108.800 0.004 0.000 2.370 211 G HA2 0.203 4.108 3.960 -0.092 0.000 0.295 211 G HA3 0.203 4.108 3.960 -0.092 0.000 0.295 211 G C 0.065 175.023 174.900 0.097 0.000 1.045 211 G CA -0.122 44.994 45.100 0.026 0.000 1.199 211 G HN 1.223 nan 8.290 nan 0.000 0.513 212 A N -0.702 122.155 122.820 0.061 0.000 2.435 212 A HA 0.940 5.205 4.320 -0.092 0.000 0.296 212 A C -0.238 177.384 177.584 0.063 0.000 1.147 212 A CA -0.342 51.756 52.037 0.101 0.000 0.775 212 A CB 2.082 21.130 19.000 0.080 0.000 1.340 212 A HN 1.394 nan 8.150 nan 0.000 0.427 213 V N 1.726 121.693 119.914 0.087 0.000 2.284 213 V HA 0.283 4.348 4.120 -0.092 0.000 0.274 213 V C -0.209 175.906 176.094 0.036 0.000 1.023 213 V CA -0.366 61.970 62.300 0.060 0.000 0.808 213 V CB 0.537 32.410 31.823 0.083 0.000 1.035 213 V HN 0.866 nan 8.190 nan 0.000 0.445 214 E N 4.570 124.785 120.200 0.025 0.000 2.289 214 E HA 0.551 4.845 4.350 -0.092 0.000 0.278 214 E C -1.017 175.588 176.600 0.009 0.000 1.032 214 E CA -0.278 56.130 56.400 0.013 0.000 0.854 214 E CB 1.559 31.266 29.700 0.012 0.000 1.046 214 E HN 0.525 nan 8.360 nan 0.000 0.409 215 L N 3.129 124.352 121.223 -0.001 0.000 2.385 215 L HA 0.326 4.610 4.340 -0.092 0.000 0.273 215 L C -0.129 176.733 176.870 -0.014 0.000 0.990 215 L CA -0.808 54.029 54.840 -0.004 0.000 0.821 215 L CB 1.833 43.887 42.059 -0.008 0.000 1.279 215 L HN 0.327 nan 8.230 nan 0.000 0.412 216 E N 1.837 122.030 120.200 -0.012 0.000 2.167 216 E HA 0.181 4.475 4.350 -0.092 0.000 0.284 216 E C -0.027 176.548 176.600 -0.042 0.000 1.016 216 E CA -0.260 56.127 56.400 -0.022 0.000 0.817 216 E CB 1.588 31.281 29.700 -0.011 0.000 1.080 216 E HN 0.603 nan 8.360 nan 0.000 0.397 217 S N 2.525 118.184 115.700 -0.068 0.000 3.477 217 S HA -0.133 4.282 4.470 -0.092 0.000 0.371 217 S C -2.183 172.305 174.600 -0.187 0.000 0.965 217 S CA 0.222 58.347 58.200 -0.125 0.000 1.239 217 S CB -1.080 62.049 63.200 -0.119 0.000 0.918 217 S HN 0.418 nan 8.310 nan 0.000 0.498 218 P HA 0.476 nan 4.420 nan 0.000 0.279 218 P C -0.106 177.070 177.300 -0.206 0.000 1.252 218 P CA -0.577 62.461 63.100 -0.103 0.000 0.811 218 P CB 0.485 32.169 31.700 -0.028 0.000 1.035 219 F N 0.622 120.573 119.950 0.001 0.000 2.385 219 F HA 0.406 4.878 4.527 -0.093 0.000 0.336 219 F C 0.866 176.667 175.800 0.003 0.000 1.100 219 F CA -0.224 57.778 58.000 0.002 0.000 1.116 219 F CB 0.673 39.673 39.000 0.001 0.000 1.166 219 F HN 0.040 nan 8.300 nan 0.000 0.511 220 I N 4.362 125.047 120.570 0.192 0.000 2.389 220 I HA 0.259 4.373 4.170 -0.092 0.000 0.288 220 I C -1.113 175.065 176.117 0.101 0.000 0.999 220 I CA -0.822 60.546 61.300 0.113 0.000 1.129 220 I CB 1.657 39.706 38.000 0.081 0.000 1.288 220 I HN 0.307 nan 8.210 nan 0.000 0.444 221 L N 8.353 129.621 121.223 0.074 0.000 2.275 221 L HA 0.538 4.823 4.340 -0.092 0.000 0.288 221 L C -1.052 175.841 176.870 0.038 0.000 1.046 221 L CA -0.001 54.869 54.840 0.049 0.000 0.805 221 L CB 0.805 42.885 42.059 0.034 0.000 1.193 221 L HN 0.450 nan 8.230 nan 0.000 0.426 222 L N 6.258 127.498 121.223 0.028 0.000 2.316 222 L HA 0.777 5.062 4.340 -0.092 0.000 0.280 222 L C -0.242 176.632 176.870 0.007 0.000 1.006 222 L CA -0.486 54.362 54.840 0.013 0.000 0.836 222 L CB 1.440 43.501 42.059 0.003 0.000 1.221 222 L HN 0.779 nan 8.230 nan 0.000 0.418 223 A N 1.589 124.413 122.820 0.006 0.000 2.330 223 A HA 0.454 4.719 4.320 -0.092 0.000 0.313 223 A C -0.640 176.946 177.584 0.003 0.000 1.124 223 A CA -0.481 51.560 52.037 0.007 0.000 0.774 223 A CB 1.071 20.079 19.000 0.014 0.000 1.198 223 A HN 0.688 nan 8.150 nan 0.000 0.465 224 D N 2.068 122.468 120.400 0.001 0.000 2.943 224 D HA 0.366 4.951 4.640 -0.092 0.000 0.249 224 D C -0.069 176.236 176.300 0.008 0.000 1.231 224 D CA 0.286 54.286 54.000 0.000 0.000 0.979 224 D CB -0.498 40.299 40.800 -0.005 0.000 1.053 224 D HN 0.620 nan 8.370 nan 0.000 0.504 225 K N -1.150 119.258 120.400 0.014 0.000 2.736 225 K HA 0.296 4.560 4.320 -0.092 0.000 0.290 225 K C -1.333 175.282 176.600 0.025 0.000 1.033 225 K CA -1.198 55.101 56.287 0.019 0.000 0.852 225 K CB 0.635 33.144 32.500 0.015 0.000 1.494 225 K HN -0.199 nan 8.250 nan 0.000 0.378 226 K N 1.591 122.007 120.400 0.027 0.000 2.258 226 K HA 0.376 4.640 4.320 -0.092 0.000 0.284 226 K C -0.540 176.078 176.600 0.030 0.000 1.051 226 K CA -0.384 55.922 56.287 0.031 0.000 0.923 226 K CB 0.686 33.205 32.500 0.031 0.000 1.046 226 K HN 0.353 nan 8.250 nan 0.000 0.474 227 I N 2.439 123.030 120.570 0.035 0.000 2.312 227 I HA 0.033 4.148 4.170 -0.092 0.000 0.291 227 I C 0.545 176.684 176.117 0.036 0.000 1.031 227 I CA 0.104 61.424 61.300 0.034 0.000 1.293 227 I CB 1.428 39.450 38.000 0.037 0.000 1.403 227 I HN 0.706 nan 8.210 nan 0.000 0.484 228 S N 3.679 119.397 115.700 0.030 0.000 2.575 228 S HA 0.224 4.638 4.470 -0.092 0.000 0.230 228 S C 0.467 175.081 174.600 0.025 0.000 1.062 228 S CA -0.081 58.135 58.200 0.028 0.000 0.913 228 S CB 0.276 63.490 63.200 0.023 0.000 0.837 228 S HN 0.590 nan 8.310 nan 0.000 0.487 229 N N 0.822 119.535 118.700 0.022 0.000 2.284 229 N HA 0.418 5.103 4.740 -0.092 0.000 0.300 229 N C -0.229 175.293 175.510 0.019 0.000 1.047 229 N CA -0.288 52.773 53.050 0.018 0.000 0.821 229 N CB 1.930 40.425 38.487 0.013 0.000 1.337 229 N HN 0.049 nan 8.380 nan 0.000 0.482 230 I N 1.515 122.096 120.570 0.018 0.000 3.564 230 I HA 0.040 4.154 4.170 -0.092 0.000 0.294 230 I C 2.115 178.239 176.117 0.011 0.000 1.289 230 I CA 0.385 61.696 61.300 0.018 0.000 1.325 230 I CB 0.168 38.181 38.000 0.021 0.000 1.039 230 I HN 0.395 nan 8.210 nan 0.000 0.474 231 R N 0.813 121.319 120.500 0.009 0.000 2.189 231 R HA -0.103 4.181 4.340 -0.092 0.000 0.223 231 R C 1.105 177.407 176.300 0.004 0.000 1.092 231 R CA 1.064 57.167 56.100 0.005 0.000 0.989 231 R CB 0.075 30.378 30.300 0.004 0.000 0.876 231 R HN 0.473 nan 8.270 nan 0.000 0.457 232 E N -0.748 119.456 120.200 0.006 0.000 2.437 232 E HA 0.023 4.318 4.350 -0.092 0.000 0.189 232 E C 0.870 177.472 176.600 0.003 0.000 1.054 232 E CA -0.053 56.350 56.400 0.004 0.000 0.874 232 E CB 0.541 30.245 29.700 0.006 0.000 1.011 232 E HN 0.219 nan 8.360 nan 0.000 0.474 233 M N -0.495 119.107 119.600 0.003 0.000 2.338 233 M HA 0.143 4.567 4.480 -0.092 0.000 0.276 233 M C 1.731 178.029 176.300 -0.004 0.000 1.057 233 M CA 0.280 55.581 55.300 0.002 0.000 1.079 233 M CB 0.133 32.739 32.600 0.010 0.000 1.547 233 M HN 0.172 nan 8.290 nan 0.000 0.549 234 L N 1.478 122.699 121.223 -0.004 0.000 2.013 234 L HA -0.182 4.103 4.340 -0.092 0.000 0.212 234 L C -0.348 176.513 176.870 -0.016 0.000 1.073 234 L CA 1.796 56.631 54.840 -0.008 0.000 0.753 234 L CB -2.010 40.045 42.059 -0.006 0.000 0.890 234 L HN 0.172 nan 8.230 nan 0.000 0.432 235 P HA -0.079 nan 4.420 nan 0.000 0.223 235 P C 1.651 178.928 177.300 -0.039 0.000 1.151 235 P CA 1.138 64.222 63.100 -0.026 0.000 0.787 235 P CB 0.117 31.803 31.700 -0.023 0.000 0.788 236 V N -0.308 119.584 119.914 -0.036 0.000 2.599 236 V HA -0.090 3.975 4.120 -0.092 0.000 0.245 236 V C 2.691 178.751 176.094 -0.056 0.000 1.046 236 V CA 1.079 63.349 62.300 -0.051 0.000 1.065 236 V CB -1.123 30.680 31.823 -0.033 0.000 0.703 236 V HN -0.020 nan 8.190 nan 0.000 0.464 237 L N -0.233 120.970 121.223 -0.033 0.000 2.156 237 L HA -0.063 4.222 4.340 -0.092 0.000 0.208 237 L C 2.532 179.383 176.870 -0.032 0.000 1.095 237 L CA 1.339 56.164 54.840 -0.025 0.000 0.770 237 L CB -0.440 41.615 42.059 -0.007 0.000 0.914 237 L HN 0.351 nan 8.230 nan 0.000 0.439 238 E N 0.080 120.260 120.200 -0.035 0.000 2.216 238 E HA -0.119 4.176 4.350 -0.092 0.000 0.192 238 E C 2.256 178.822 176.600 -0.056 0.000 0.988 238 E CA 0.841 57.220 56.400 -0.036 0.000 0.834 238 E CB 0.049 29.732 29.700 -0.029 0.000 0.772 238 E HN 0.479 nan 8.360 nan 0.000 0.479 239 A N 1.174 123.944 122.820 -0.083 0.000 1.929 239 A HA -0.111 4.154 4.320 -0.092 0.000 0.216 239 A C 2.369 179.843 177.584 -0.183 0.000 1.176 239 A CA 1.265 53.224 52.037 -0.130 0.000 0.628 239 A CB -0.433 18.474 19.000 -0.155 0.000 0.816 239 A HN 0.212 nan 8.150 nan 0.000 0.444 240 V N -3.294 116.519 119.914 -0.168 0.000 3.573 240 V HA 0.347 4.412 4.120 -0.092 0.000 0.270 240 V C 2.048 178.118 176.094 -0.040 0.000 1.221 240 V CA 0.962 63.173 62.300 -0.148 0.000 1.163 240 V CB -0.954 30.820 31.823 -0.083 0.000 0.847 240 V HN 0.438 nan 8.190 nan 0.000 0.468 241 A N 2.594 125.391 122.820 -0.038 0.000 1.874 241 A HA -0.073 4.191 4.320 -0.092 0.000 0.214 241 A C 2.265 179.846 177.584 -0.005 0.000 1.189 241 A CA 1.706 53.736 52.037 -0.011 0.000 0.615 241 A CB -0.379 18.613 19.000 -0.013 0.000 0.830 241 A HN 0.725 nan 8.150 nan 0.000 0.443 242 K N -0.278 120.110 120.400 -0.020 0.000 2.288 242 K HA 0.287 4.552 4.320 -0.092 0.000 0.201 242 K C 1.755 178.359 176.600 0.007 0.000 1.048 242 K CA 1.189 57.471 56.287 -0.009 0.000 0.956 242 K CB -0.306 32.182 32.500 -0.019 0.000 0.746 242 K HN 0.232 nan 8.250 nan 0.000 0.461 243 A N 1.427 124.248 122.820 0.002 0.000 1.970 243 A HA 0.207 4.471 4.320 -0.092 0.000 0.216 243 A C 1.953 179.606 177.584 0.116 0.000 1.170 243 A CA 0.875 52.956 52.037 0.074 0.000 0.645 243 A CB -0.915 18.125 19.000 0.066 0.000 0.816 243 A HN 0.591 nan 8.150 nan 0.000 0.447 244 G N -1.080 107.769 108.800 0.081 0.000 2.153 244 G HA2 -0.274 3.631 3.960 -0.092 0.000 0.252 244 G HA3 -0.274 3.631 3.960 -0.092 0.000 0.252 244 G C 0.138 175.100 174.900 0.104 0.000 0.994 244 G CA 0.894 46.039 45.100 0.075 0.000 0.698 244 G HN 0.631 nan 8.290 nan 0.000 0.521 245 K N 0.303 120.809 120.400 0.177 0.000 2.208 245 K HA 0.596 4.861 4.320 -0.092 0.000 0.247 245 K C -2.251 174.461 176.600 0.187 0.000 0.953 245 K CA -2.250 54.151 56.287 0.191 0.000 0.837 245 K CB 1.712 34.366 32.500 0.257 0.000 1.131 245 K HN -0.028 nan 8.250 nan 0.000 0.431 246 P HA 0.020 nan 4.420 nan 0.000 0.271 246 P C -1.346 176.031 177.300 0.128 0.000 1.244 246 P CA -0.411 62.743 63.100 0.089 0.000 0.793 246 P CB 0.415 32.141 31.700 0.042 0.000 0.984 247 L N 1.395 122.665 121.223 0.077 0.000 2.446 247 L HA 0.457 4.742 4.340 -0.092 0.000 0.268 247 L C -1.513 175.366 176.870 0.016 0.000 0.975 247 L CA -0.795 54.092 54.840 0.079 0.000 0.848 247 L CB 1.187 43.284 42.059 0.064 0.000 1.225 247 L HN 0.094 nan 8.230 nan 0.000 0.410 248 L N 6.396 127.634 121.223 0.025 0.000 2.265 248 L HA 0.574 4.859 4.340 -0.092 0.000 0.288 248 L C -0.822 176.056 176.870 0.012 0.000 1.058 248 L CA 0.242 55.077 54.840 -0.008 0.000 0.809 248 L CB 0.713 42.778 42.059 0.009 0.000 1.179 248 L HN 0.564 nan 8.230 nan 0.000 0.429 249 I N 6.976 127.534 120.570 -0.019 0.000 2.306 249 I HA 0.303 4.418 4.170 -0.092 0.000 0.288 249 I C -0.394 175.745 176.117 0.036 0.000 1.036 249 I CA -0.183 61.122 61.300 0.008 0.000 1.221 249 I CB 0.732 38.728 38.000 -0.007 0.000 1.385 249 I HN 0.514 nan 8.210 nan 0.000 0.472 250 I N 6.481 127.087 120.570 0.060 0.000 2.307 250 I HA 0.612 4.726 4.170 -0.092 0.000 0.289 250 I C 0.333 176.475 176.117 0.041 0.000 1.021 250 I CA 0.085 61.433 61.300 0.079 0.000 1.224 250 I CB 1.042 39.099 38.000 0.095 0.000 1.376 250 I HN 0.669 nan 8.210 nan 0.000 0.470 251 A N 4.747 127.595 122.820 0.046 0.000 2.564 251 A HA 0.444 4.708 4.320 -0.092 0.000 0.288 251 A C 0.661 178.268 177.584 0.040 0.000 1.164 251 A CA -0.554 51.503 52.037 0.034 0.000 0.712 251 A CB 1.275 20.297 19.000 0.037 0.000 1.303 251 A HN 0.683 nan 8.150 nan 0.000 0.418 252 E N -0.513 119.708 120.200 0.035 0.000 2.038 252 E HA -0.161 4.133 4.350 -0.092 0.000 0.195 252 E C -0.288 176.344 176.600 0.055 0.000 1.000 252 E CA 1.883 58.309 56.400 0.043 0.000 0.803 252 E CB 0.127 29.851 29.700 0.039 0.000 0.750 252 E HN 0.589 nan 8.360 nan 0.000 0.448 253 D N -2.033 118.400 120.400 0.054 0.000 2.648 253 D HA 0.233 4.818 4.640 -0.092 0.000 0.244 253 D C -1.873 174.465 176.300 0.064 0.000 1.244 253 D CA -0.527 53.510 54.000 0.062 0.000 0.772 253 D CB 2.191 43.024 40.800 0.055 0.000 1.379 253 D HN -0.124 nan 8.370 nan 0.000 0.428 254 V N 2.303 122.265 119.914 0.080 0.000 2.443 254 V HA 0.544 4.608 4.120 -0.092 0.000 0.293 254 V C -0.254 175.893 176.094 0.088 0.000 1.021 254 V CA -0.584 61.767 62.300 0.085 0.000 0.848 254 V CB 1.636 33.522 31.823 0.105 0.000 0.998 254 V HN 0.437 nan 8.190 nan 0.000 0.424 255 E N 2.160 122.401 120.200 0.068 0.000 2.393 255 E HA 0.681 4.975 4.350 -0.092 0.000 0.273 255 E C 0.595 177.222 176.600 0.045 0.000 0.918 255 E CA -0.078 56.356 56.400 0.057 0.000 0.773 255 E CB 2.597 32.324 29.700 0.045 0.000 1.275 255 E HN 0.885 nan 8.360 nan 0.000 0.451 256 G N 1.870 110.692 108.800 0.036 0.000 2.596 256 G HA2 -0.365 3.540 3.960 -0.092 0.000 0.304 256 G HA3 -0.365 3.540 3.960 -0.092 0.000 0.304 256 G C 0.479 175.392 174.900 0.022 0.000 1.189 256 G CA 0.291 45.404 45.100 0.023 0.000 0.986 256 G HN 0.640 nan 8.290 nan 0.000 0.548 257 E N 1.960 122.171 120.200 0.018 0.000 2.428 257 E HA 0.251 4.545 4.350 -0.092 0.000 0.199 257 E C 1.658 178.272 176.600 0.024 0.000 1.172 257 E CA 0.995 57.404 56.400 0.016 0.000 0.941 257 E CB -0.159 29.547 29.700 0.011 0.000 1.001 257 E HN 0.773 nan 8.360 nan 0.000 0.501 258 A N -0.226 122.615 122.820 0.036 0.000 1.817 258 A HA 0.067 4.331 4.320 -0.092 0.000 0.204 258 A C 1.680 179.311 177.584 0.078 0.000 1.741 258 A CA -0.204 51.863 52.037 0.050 0.000 1.196 258 A CB -0.146 18.883 19.000 0.048 0.000 1.211 258 A HN 0.211 nan 8.150 nan 0.000 0.450 259 L N 0.557 121.831 121.223 0.086 0.000 2.023 259 L HA 0.201 4.485 4.340 -0.092 0.000 0.205 259 L C 2.418 179.340 176.870 0.086 0.000 1.073 259 L CA 2.490 57.408 54.840 0.130 0.000 0.745 259 L CB -0.529 41.603 42.059 0.122 0.000 0.900 259 L HN 0.319 nan 8.230 nan 0.000 0.435 260 A N -1.619 121.220 122.820 0.031 0.000 2.121 260 A HA -0.109 4.156 4.320 -0.092 0.000 0.218 260 A C 2.098 179.672 177.584 -0.016 0.000 1.154 260 A CA 1.832 53.857 52.037 -0.019 0.000 0.679 260 A CB -1.006 17.977 19.000 -0.028 0.000 0.795 260 A HN 0.569 nan 8.150 nan 0.000 0.458 261 T N 0.054 114.619 114.554 0.018 0.000 2.937 261 T HA 0.048 4.343 4.350 -0.092 0.000 0.260 261 T C 1.674 176.401 174.700 0.044 0.000 1.051 261 T CA 1.035 63.147 62.100 0.020 0.000 1.141 261 T CB -0.271 68.612 68.868 0.026 0.000 0.879 261 T HN 0.357 nan 8.240 nan 0.000 0.459 262 L N 1.098 122.379 121.223 0.097 0.000 2.376 262 L HA 0.006 4.290 4.340 -0.092 0.000 0.219 262 L C 2.464 179.452 176.870 0.197 0.000 1.133 262 L CA 0.329 55.270 54.840 0.168 0.000 0.816 262 L CB -0.547 41.663 42.059 0.251 0.000 0.933 262 L HN 0.141 nan 8.230 nan 0.000 0.449 263 V N -0.931 119.024 119.914 0.068 0.000 2.323 263 V HA -0.199 3.865 4.120 -0.092 0.000 0.244 263 V C 2.322 178.385 176.094 -0.053 0.000 1.041 263 V CA 1.401 63.656 62.300 -0.074 0.000 1.025 263 V CB -0.103 31.580 31.823 -0.234 0.000 0.656 263 V HN 0.198 nan 8.190 nan 0.000 0.451 264 V N 0.373 120.258 119.914 -0.048 0.000 2.379 264 V HA -0.204 3.860 4.120 -0.092 0.000 0.245 264 V C 2.047 178.138 176.094 -0.006 0.000 1.044 264 V CA 2.220 64.494 62.300 -0.044 0.000 1.036 264 V CB -1.016 30.778 31.823 -0.048 0.000 0.664 264 V HN 0.565 nan 8.190 nan 0.000 0.453 265 N N -0.383 118.328 118.700 0.019 0.000 2.223 265 N HA -0.168 4.516 4.740 -0.092 0.000 0.185 265 N C 1.873 177.410 175.510 0.044 0.000 1.016 265 N CA 1.560 54.628 53.050 0.030 0.000 0.863 265 N CB -0.119 38.391 38.487 0.038 0.000 0.983 265 N HN 0.374 nan 8.380 nan 0.000 0.429 266 T N -0.333 114.264 114.554 0.073 0.000 2.985 266 T HA 0.037 4.331 4.350 -0.092 0.000 0.266 266 T C 1.598 176.334 174.700 0.061 0.000 1.076 266 T CA 0.600 62.753 62.100 0.088 0.000 1.135 266 T CB -0.027 68.940 68.868 0.165 0.000 0.890 266 T HN 0.060 nan 8.240 nan 0.000 0.480 267 M N 0.287 119.909 119.600 0.037 0.000 2.394 267 M HA 0.242 4.667 4.480 -0.092 0.000 0.264 267 M C 1.945 178.251 176.300 0.009 0.000 1.073 267 M CA 1.049 56.360 55.300 0.019 0.000 1.111 267 M CB -0.003 32.592 32.600 -0.008 0.000 1.401 267 M HN -0.038 nan 8.290 nan 0.000 0.448 268 R N -0.789 119.716 120.500 0.008 0.000 2.236 268 R HA 0.214 4.498 4.340 -0.092 0.000 0.208 268 R C 1.405 177.710 176.300 0.008 0.000 1.036 268 R CA 1.129 57.230 56.100 0.003 0.000 1.001 268 R CB -0.208 30.093 30.300 0.001 0.000 0.896 268 R HN 0.535 nan 8.270 nan 0.000 0.464 269 G N -0.740 108.071 108.800 0.019 0.000 2.232 269 G HA2 -0.266 3.638 3.960 -0.092 0.000 0.226 269 G HA3 -0.266 3.638 3.960 -0.092 0.000 0.226 269 G C 0.929 175.844 174.900 0.024 0.000 0.996 269 G CA 0.264 45.377 45.100 0.022 0.000 0.626 269 G HN 0.259 nan 8.290 nan 0.000 0.509 270 I N 0.706 121.289 120.570 0.022 0.000 2.163 270 I HA 0.038 4.152 4.170 -0.092 0.000 0.240 270 I C 1.099 177.230 176.117 0.023 0.000 1.081 270 I CA 1.927 63.238 61.300 0.018 0.000 1.353 270 I CB -0.176 37.832 38.000 0.014 0.000 1.054 270 I HN 0.206 nan 8.210 nan 0.000 0.407 271 V N -0.429 119.503 119.914 0.030 0.000 2.577 271 V HA 0.379 4.443 4.120 -0.092 0.000 0.303 271 V C -0.853 175.269 176.094 0.047 0.000 1.042 271 V CA -1.220 61.102 62.300 0.036 0.000 0.872 271 V CB 1.357 33.199 31.823 0.031 0.000 0.998 271 V HN 0.060 nan 8.190 nan 0.000 0.423 272 K N 3.182 123.612 120.400 0.049 0.000 2.316 272 K HA 0.681 4.946 4.320 -0.092 0.000 0.289 272 K C -0.747 175.879 176.600 0.043 0.000 1.070 272 K CA -0.104 56.217 56.287 0.056 0.000 0.928 272 K CB 1.442 33.972 32.500 0.050 0.000 1.039 272 K HN 0.580 nan 8.250 nan 0.000 0.480 273 V N 2.032 121.972 119.914 0.043 0.000 2.638 273 V HA 0.715 4.780 4.120 -0.092 0.000 0.306 273 V C -0.792 175.174 176.094 -0.213 0.000 1.052 273 V CA -0.924 61.356 62.300 -0.033 0.000 0.885 273 V CB 1.900 33.722 31.823 -0.002 0.000 0.999 273 V HN 0.860 nan 8.190 nan 0.000 0.424 274 A N 3.510 126.114 122.820 -0.359 0.000 2.356 274 A HA 1.029 5.294 4.320 -0.092 0.000 0.323 274 A C -0.391 176.812 177.584 -0.635 0.000 1.119 274 A CA -0.292 51.264 52.037 -0.802 0.000 0.790 274 A CB 1.858 20.621 19.000 -0.396 0.000 1.273 274 A HN 1.524 nan 8.150 nan 0.000 0.452 275 A N 0.644 122.983 122.820 -0.802 0.000 2.393 275 A HA 0.765 5.030 4.320 -0.092 0.000 0.306 275 A C -0.488 177.071 177.584 -0.041 0.000 1.050 275 A CA -0.076 51.804 52.037 -0.261 0.000 0.724 275 A CB 1.224 20.152 19.000 -0.119 0.000 1.248 275 A HN 2.284 nan 8.150 nan 0.000 0.424 276 V N -0.507 119.430 119.914 0.038 0.000 3.078 276 V HA 0.668 4.733 4.120 -0.092 0.000 0.311 276 V C -0.431 175.740 176.094 0.129 0.000 1.138 276 V CA -1.248 61.116 62.300 0.105 0.000 1.007 276 V CB 1.520 33.410 31.823 0.110 0.000 1.045 276 V HN 0.859 nan 8.190 nan 0.000 0.432 277 K N 1.801 122.283 120.400 0.136 0.000 2.258 277 K HA 0.659 4.923 4.320 -0.092 0.000 0.264 277 K C 0.429 177.120 176.600 0.152 0.000 1.007 277 K CA 0.364 56.725 56.287 0.123 0.000 0.941 277 K CB 1.099 33.663 32.500 0.107 0.000 0.966 277 K HN 1.124 nan 8.250 nan 0.000 0.480 278 A N 3.607 126.473 122.820 0.077 0.000 2.386 278 A HA 0.263 4.528 4.320 -0.092 0.000 0.248 278 A C -2.151 175.428 177.584 -0.008 0.000 1.082 278 A CA -1.248 50.780 52.037 -0.016 0.000 0.789 278 A CB -0.282 18.690 19.000 -0.047 0.000 1.025 278 A HN 0.474 nan 8.150 nan 0.000 0.490 279 P HA 0.324 nan 4.420 nan 0.000 0.271 279 P C 0.833 178.138 177.300 0.008 0.000 1.216 279 P CA 1.492 64.563 63.100 -0.049 0.000 0.771 279 P CB 0.512 32.068 31.700 -0.240 0.000 0.864 280 G N 2.880 111.737 108.800 0.095 0.000 2.575 280 G HA2 -0.141 3.763 3.960 -0.092 0.000 0.267 280 G HA3 -0.141 3.763 3.960 -0.092 0.000 0.267 280 G C -0.546 174.507 174.900 0.255 0.000 1.264 280 G CA 0.436 45.633 45.100 0.161 0.000 0.935 280 G HN 0.744 nan 8.290 nan 0.000 0.568 281 F N -2.961 116.998 119.950 0.015 0.000 2.923 281 F HA 0.765 5.238 4.527 -0.091 0.000 0.323 281 F C 1.074 176.882 175.800 0.014 0.000 1.189 281 F CA 0.368 58.376 58.000 0.014 0.000 0.930 281 F CB 0.672 39.685 39.000 0.022 0.000 1.414 281 F HN 2.458 nan 8.300 nan 0.000 0.496 282 G N 1.136 109.930 108.800 -0.011 0.000 2.582 282 G HA2 -0.305 3.599 3.960 -0.092 0.000 0.288 282 G HA3 -0.305 3.599 3.960 -0.092 0.000 0.288 282 G C 0.342 175.158 174.900 -0.141 0.000 1.247 282 G CA 0.731 45.750 45.100 -0.135 0.000 0.972 282 G HN 0.917 nan 8.290 nan 0.000 0.557 283 D N 0.390 120.695 120.400 -0.159 0.000 2.144 283 D HA -0.040 4.545 4.640 -0.092 0.000 0.200 283 D C 2.663 178.893 176.300 -0.117 0.000 0.978 283 D CA 1.186 55.123 54.000 -0.106 0.000 0.833 283 D CB -0.142 40.608 40.800 -0.083 0.000 0.961 283 D HN 0.473 nan 8.370 nan 0.000 0.470 284 R N 0.427 120.824 120.500 -0.172 0.000 2.189 284 R HA 0.010 4.294 4.340 -0.092 0.000 0.223 284 R C 2.304 178.530 176.300 -0.124 0.000 1.092 284 R CA 0.320 56.334 56.100 -0.143 0.000 0.989 284 R CB 0.037 30.240 30.300 -0.163 0.000 0.876 284 R HN 0.077 nan 8.270 nan 0.000 0.457 285 R N 1.274 121.699 120.500 -0.125 0.000 2.075 285 R HA -0.103 4.182 4.340 -0.092 0.000 0.232 285 R C 1.547 177.802 176.300 -0.075 0.000 1.126 285 R CA 1.247 57.299 56.100 -0.080 0.000 0.963 285 R CB 0.147 30.430 30.300 -0.029 0.000 0.858 285 R HN 0.028 nan 8.270 nan 0.000 0.435 286 K N 0.347 120.708 120.400 -0.064 0.000 2.032 286 K HA -0.109 4.155 4.320 -0.092 0.000 0.209 286 K C 2.044 178.609 176.600 -0.057 0.000 1.048 286 K CA 1.484 57.740 56.287 -0.051 0.000 0.927 286 K CB -0.460 32.016 32.500 -0.040 0.000 0.712 286 K HN 0.215 nan 8.250 nan 0.000 0.441 287 A N 1.520 124.302 122.820 -0.063 0.000 1.930 287 A HA -0.060 4.205 4.320 -0.092 0.000 0.217 287 A C 2.269 179.811 177.584 -0.071 0.000 1.175 287 A CA 1.295 53.296 52.037 -0.060 0.000 0.627 287 A CB -0.395 18.571 19.000 -0.057 0.000 0.815 287 A HN 0.188 nan 8.150 nan 0.000 0.443 288 M N -0.965 118.581 119.600 -0.090 0.000 2.254 288 M HA -0.007 4.417 4.480 -0.092 0.000 0.265 288 M C 2.014 178.227 176.300 -0.145 0.000 1.066 288 M CA 0.956 56.186 55.300 -0.116 0.000 1.123 288 M CB -0.344 32.173 32.600 -0.138 0.000 1.388 288 M HN 0.388 nan 8.290 nan 0.000 0.425 289 L N -0.087 121.058 121.223 -0.130 0.000 2.131 289 L HA -0.235 4.050 4.340 -0.092 0.000 0.210 289 L C 2.587 179.407 176.870 -0.083 0.000 1.092 289 L CA 1.173 55.940 54.840 -0.123 0.000 0.759 289 L CB -0.336 41.669 42.059 -0.089 0.000 0.903 289 L HN 0.280 nan 8.230 nan 0.000 0.435 290 Q N 0.010 119.771 119.800 -0.064 0.000 2.172 290 Q HA -0.191 4.094 4.340 -0.092 0.000 0.200 290 Q C 1.606 177.581 176.000 -0.042 0.000 0.964 290 Q CA 1.593 57.370 55.803 -0.044 0.000 0.855 290 Q CB -0.077 28.639 28.738 -0.036 0.000 0.918 290 Q HN 0.393 nan 8.270 nan 0.000 0.444 291 D N -0.242 120.125 120.400 -0.054 0.000 2.104 291 D HA -0.156 4.429 4.640 -0.092 0.000 0.194 291 D C 1.753 178.031 176.300 -0.036 0.000 0.994 291 D CA 1.397 55.371 54.000 -0.045 0.000 0.830 291 D CB -0.208 40.560 40.800 -0.054 0.000 0.959 291 D HN 0.345 nan 8.370 nan 0.000 0.452 292 I N 0.874 121.408 120.570 -0.059 0.000 2.286 292 I HA -0.242 3.872 4.170 -0.092 0.000 0.248 292 I C 2.390 178.502 176.117 -0.009 0.000 1.115 292 I CA 0.953 62.233 61.300 -0.034 0.000 1.392 292 I CB -0.185 37.763 38.000 -0.086 0.000 1.065 292 I HN -0.062 nan 8.210 nan 0.000 0.418 293 A N 0.418 123.227 122.820 -0.019 0.000 1.877 293 A HA -0.202 4.063 4.320 -0.092 0.000 0.216 293 A C 2.389 179.973 177.584 0.001 0.000 1.186 293 A CA 2.437 54.471 52.037 -0.005 0.000 0.620 293 A CB -1.134 17.860 19.000 -0.010 0.000 0.822 293 A HN 0.386 nan 8.150 nan 0.000 0.443 294 T N 0.188 114.739 114.554 -0.005 0.000 2.833 294 T HA -0.053 4.242 4.350 -0.092 0.000 0.269 294 T C 1.763 176.465 174.700 0.003 0.000 1.054 294 T CA 1.114 63.213 62.100 -0.002 0.000 1.135 294 T CB -0.248 68.616 68.868 -0.006 0.000 0.869 294 T HN 0.334 nan 8.240 nan 0.000 0.466 295 L N 1.392 122.618 121.223 0.005 0.000 2.109 295 L HA -0.071 4.213 4.340 -0.092 0.000 0.207 295 L C 2.542 179.420 176.870 0.012 0.000 1.086 295 L CA 1.674 56.521 54.840 0.011 0.000 0.760 295 L CB -0.439 41.633 42.059 0.021 0.000 0.910 295 L HN 0.456 nan 8.230 nan 0.000 0.437 296 T N -5.216 109.347 114.554 0.016 0.000 3.022 296 T HA 0.221 4.515 4.350 -0.092 0.000 0.250 296 T C 1.300 176.011 174.700 0.017 0.000 1.060 296 T CA 0.471 62.581 62.100 0.016 0.000 1.013 296 T CB 0.650 69.535 68.868 0.028 0.000 0.982 296 T HN 0.412 nan 8.240 nan 0.000 0.508 297 G N 0.727 109.538 108.800 0.018 0.000 2.136 297 G HA2 0.004 3.909 3.960 -0.092 0.000 0.242 297 G HA3 0.004 3.909 3.960 -0.092 0.000 0.242 297 G C 0.333 175.254 174.900 0.034 0.000 0.989 297 G CA -0.191 44.922 45.100 0.022 0.000 0.682 297 G HN 1.026 nan 8.290 nan 0.000 0.522 298 G N -1.318 107.504 108.800 0.036 0.000 2.552 298 G HA2 0.746 4.651 3.960 -0.092 0.000 0.324 298 G HA3 0.746 4.651 3.960 -0.092 0.000 0.324 298 G C -0.283 174.632 174.900 0.025 0.000 1.217 298 G CA 0.293 45.419 45.100 0.042 0.000 0.989 298 G HN 0.651 nan 8.290 nan 0.000 0.490 299 T N -0.060 114.507 114.554 0.022 0.000 2.855 299 T HA 0.425 4.720 4.350 -0.092 0.000 0.281 299 T C 0.040 174.744 174.700 0.007 0.000 1.007 299 T CA -0.402 61.704 62.100 0.010 0.000 1.009 299 T CB 1.894 70.767 68.868 0.008 0.000 0.983 299 T HN 0.318 nan 8.240 nan 0.000 0.455 300 V N 3.730 123.644 119.914 -0.001 0.000 2.479 300 V HA 0.139 4.203 4.120 -0.092 0.000 0.281 300 V C 0.188 176.280 176.094 -0.003 0.000 1.031 300 V CA -0.313 61.984 62.300 -0.006 0.000 1.038 300 V CB -0.160 31.654 31.823 -0.015 0.000 0.981 300 V HN 0.701 nan 8.190 nan 0.000 0.478 301 I N 5.846 126.416 120.570 -0.001 0.000 2.294 301 I HA 0.225 4.339 4.170 -0.092 0.000 0.295 301 I C 0.620 176.737 176.117 -0.001 0.000 1.098 301 I CA 0.821 62.121 61.300 0.000 0.000 1.277 301 I CB 0.733 38.734 38.000 0.002 0.000 1.434 301 I HN 0.733 nan 8.210 nan 0.000 0.498 302 S N 3.359 119.058 115.700 -0.002 0.000 2.503 302 S HA 0.453 4.867 4.470 -0.092 0.000 0.301 302 S C 0.453 175.053 174.600 -0.000 0.000 1.087 302 S CA -0.822 57.377 58.200 -0.002 0.000 1.042 302 S CB 1.657 64.854 63.200 -0.005 0.000 1.043 302 S HN 0.594 nan 8.310 nan 0.000 0.489 303 E N 0.901 121.102 120.200 0.002 0.000 2.511 303 E HA -0.036 4.258 4.350 -0.092 0.000 0.196 303 E C 1.131 177.732 176.600 0.002 0.000 1.066 303 E CA 0.316 56.718 56.400 0.003 0.000 0.871 303 E CB 0.114 29.817 29.700 0.005 0.000 0.863 303 E HN 0.742 nan 8.360 nan 0.000 0.520 304 E N 0.534 120.735 120.200 0.000 0.000 2.051 304 E HA -0.102 4.193 4.350 -0.092 0.000 0.189 304 E C 2.054 178.653 176.600 -0.001 0.000 0.979 304 E CA 0.677 57.076 56.400 -0.001 0.000 0.803 304 E CB 0.075 29.774 29.700 -0.002 0.000 0.761 304 E HN 0.277 nan 8.360 nan 0.000 0.451 305 I N -0.149 120.420 120.570 -0.002 0.000 2.315 305 I HA -0.105 4.009 4.170 -0.092 0.000 0.248 305 I C 1.486 177.603 176.117 -0.001 0.000 1.117 305 I CA 1.174 62.473 61.300 -0.002 0.000 1.404 305 I CB -0.038 37.961 38.000 -0.003 0.000 1.071 305 I HN 0.294 nan 8.210 nan 0.000 0.419 306 G N 0.609 109.408 108.800 -0.001 0.000 2.148 306 G HA2 -0.129 3.776 3.960 -0.092 0.000 0.120 306 G HA3 -0.129 3.776 3.960 -0.092 0.000 0.120 306 G C 0.059 174.959 174.900 -0.001 0.000 1.034 306 G CA -0.642 44.458 45.100 -0.000 0.000 0.710 306 G HN 0.085 nan 8.290 nan 0.000 0.495 307 M N 0.805 120.405 119.600 -0.001 0.000 2.249 307 M HA 0.471 4.895 4.480 -0.092 0.000 0.351 307 M C 0.330 176.629 176.300 -0.000 0.000 1.180 307 M CA 0.203 55.503 55.300 -0.001 0.000 1.127 307 M CB 0.944 33.543 32.600 -0.001 0.000 1.546 307 M HN 0.205 nan 8.290 nan 0.000 0.461 308 E N 1.856 122.055 120.200 -0.001 0.000 2.195 308 E HA 0.253 4.547 4.350 -0.092 0.000 0.271 308 E C 0.145 176.743 176.600 -0.002 0.000 0.923 308 E CA -0.469 55.931 56.400 -0.001 0.000 0.790 308 E CB 1.969 31.668 29.700 -0.002 0.000 1.155 308 E HN 0.652 nan 8.360 nan 0.000 0.402 309 L N 1.926 123.148 121.223 -0.001 0.000 2.362 309 L HA -0.150 4.134 4.340 -0.092 0.000 0.219 309 L C 1.593 178.459 176.870 -0.006 0.000 1.134 309 L CA 1.058 55.897 54.840 -0.002 0.000 0.807 309 L CB 0.003 42.062 42.059 0.001 0.000 0.927 309 L HN 0.558 nan 8.230 nan 0.000 0.447 310 E N -0.123 120.073 120.200 -0.006 0.000 2.158 310 E HA -0.129 4.165 4.350 -0.092 0.000 0.191 310 E C 1.753 178.346 176.600 -0.011 0.000 0.982 310 E CA 0.779 57.174 56.400 -0.009 0.000 0.823 310 E CB 0.126 29.822 29.700 -0.007 0.000 0.766 310 E HN 0.249 nan 8.360 nan 0.000 0.468 311 K N 0.206 120.600 120.400 -0.009 0.000 2.487 311 K HA 0.204 4.468 4.320 -0.092 0.000 0.192 311 K C 0.011 176.604 176.600 -0.012 0.000 1.027 311 K CA 0.135 56.416 56.287 -0.010 0.000 1.054 311 K CB 0.514 33.010 32.500 -0.007 0.000 0.824 311 K HN -0.022 nan 8.250 nan 0.000 0.510 312 A N 2.303 125.115 122.820 -0.014 0.000 2.376 312 A HA 0.145 4.410 4.320 -0.092 0.000 0.298 312 A C 0.543 178.110 177.584 -0.027 0.000 1.271 312 A CA -0.461 51.567 52.037 -0.016 0.000 0.926 312 A CB -0.172 18.821 19.000 -0.012 0.000 1.141 312 A HN 0.244 nan 8.150 nan 0.000 0.539 313 T N 0.615 115.152 114.554 -0.028 0.000 2.833 313 T HA 0.410 4.704 4.350 -0.092 0.000 0.292 313 T C 1.247 175.910 174.700 -0.062 0.000 1.031 313 T CA -0.539 61.536 62.100 -0.042 0.000 0.937 313 T CB 0.244 69.093 68.868 -0.031 0.000 1.256 313 T HN 0.306 nan 8.240 nan 0.000 0.551 314 L N -0.057 121.113 121.223 -0.088 0.000 2.291 314 L HA 0.022 4.306 4.340 -0.092 0.000 0.214 314 L C 2.900 179.749 176.870 -0.034 0.000 1.120 314 L CA 1.129 55.890 54.840 -0.133 0.000 0.799 314 L CB -0.609 41.340 42.059 -0.184 0.000 0.925 314 L HN 0.804 nan 8.230 nan 0.000 0.446 315 E N 0.847 121.040 120.200 -0.011 0.000 2.023 315 E HA -0.246 4.049 4.350 -0.092 0.000 0.196 315 E C 1.198 177.817 176.600 0.031 0.000 1.003 315 E CA 1.741 58.152 56.400 0.018 0.000 0.809 315 E CB 0.014 29.719 29.700 0.008 0.000 0.755 315 E HN 0.379 nan 8.360 nan 0.000 0.449 316 D N -0.112 120.298 120.400 0.018 0.000 2.324 316 D HA 0.013 4.597 4.640 -0.092 0.000 0.235 316 D C -0.388 175.936 176.300 0.039 0.000 1.095 316 D CA 0.088 54.102 54.000 0.023 0.000 0.871 316 D CB 0.070 40.876 40.800 0.010 0.000 0.906 316 D HN 0.116 nan 8.370 nan 0.000 0.522 317 L N 0.940 122.202 121.223 0.064 0.000 2.282 317 L HA 0.427 4.711 4.340 -0.092 0.000 0.288 317 L C 0.869 177.848 176.870 0.182 0.000 1.033 317 L CA -0.556 54.352 54.840 0.113 0.000 0.807 317 L CB 1.623 43.735 42.059 0.090 0.000 1.209 317 L HN -0.093 nan 8.230 nan 0.000 0.423 318 G N 3.167 112.052 108.800 0.142 0.000 2.667 318 G HA2 0.352 4.257 3.960 -0.092 0.000 0.250 318 G HA3 0.352 4.257 3.960 -0.092 0.000 0.250 318 G C -0.759 174.194 174.900 0.088 0.000 1.212 318 G CA -0.228 44.933 45.100 0.101 0.000 0.874 318 G HN 0.589 nan 8.290 nan 0.000 0.561 319 Q N -1.205 118.593 119.800 -0.003 0.000 2.353 319 Q HA 0.558 4.842 4.340 -0.092 0.000 0.275 319 Q C -0.945 175.001 176.000 -0.091 0.000 1.029 319 Q CA -0.680 55.049 55.803 -0.123 0.000 0.848 319 Q CB 2.470 31.085 28.738 -0.204 0.000 1.390 319 Q HN 0.886 nan 8.270 nan 0.000 0.401 320 A N 1.500 124.250 122.820 -0.117 0.000 2.593 320 A HA 0.497 4.762 4.320 -0.092 0.000 0.290 320 A C -0.231 177.298 177.584 -0.091 0.000 1.126 320 A CA -0.499 51.492 52.037 -0.076 0.000 0.695 320 A CB 1.414 20.391 19.000 -0.039 0.000 1.290 320 A HN 0.585 nan 8.150 nan 0.000 0.414 321 K N -0.448 119.913 120.400 -0.064 0.000 2.228 321 K HA 0.086 4.350 4.320 -0.092 0.000 0.202 321 K C 0.451 177.021 176.600 -0.049 0.000 1.051 321 K CA 1.042 57.293 56.287 -0.059 0.000 0.960 321 K CB 0.044 32.519 32.500 -0.041 0.000 0.743 321 K HN 0.583 nan 8.250 nan 0.000 0.458 322 R N -0.606 119.869 120.500 -0.042 0.000 2.644 322 R HA 0.162 4.446 4.340 -0.092 0.000 0.257 322 R C -1.883 174.399 176.300 -0.029 0.000 1.082 322 R CA -0.425 55.655 56.100 -0.032 0.000 0.927 322 R CB 1.620 31.905 30.300 -0.024 0.000 1.258 322 R HN -0.112 nan 8.270 nan 0.000 0.459 323 V N 0.645 120.543 119.914 -0.027 0.000 2.577 323 V HA 0.762 4.827 4.120 -0.092 0.000 0.303 323 V C -0.998 175.079 176.094 -0.028 0.000 1.042 323 V CA -0.745 61.536 62.300 -0.032 0.000 0.872 323 V CB 1.911 33.716 31.823 -0.030 0.000 0.998 323 V HN 0.391 nan 8.190 nan 0.000 0.423 324 V N 6.014 125.905 119.914 -0.038 0.000 2.417 324 V HA 0.602 4.667 4.120 -0.092 0.000 0.291 324 V C -0.235 175.839 176.094 -0.033 0.000 1.024 324 V CA -0.353 61.936 62.300 -0.019 0.000 0.861 324 V CB 1.585 33.402 31.823 -0.010 0.000 0.985 324 V HN 0.854 nan 8.190 nan 0.000 0.436 325 I N 4.676 125.255 120.570 0.016 0.000 2.418 325 I HA 0.472 4.586 4.170 -0.092 0.000 0.287 325 I C 0.047 176.238 176.117 0.123 0.000 1.008 325 I CA -0.390 60.931 61.300 0.036 0.000 1.104 325 I CB 1.587 39.635 38.000 0.080 0.000 1.264 325 I HN 0.517 nan 8.210 nan 0.000 0.438 326 N N 4.343 123.061 118.700 0.029 0.000 2.495 326 N HA 0.227 4.912 4.740 -0.092 0.000 0.294 326 N C 1.032 176.386 175.510 -0.261 0.000 1.276 326 N CA -0.548 52.515 53.050 0.022 0.000 0.973 326 N CB 0.868 39.345 38.487 -0.017 0.000 1.143 326 N HN 0.508 nan 8.380 nan 0.000 0.589 327 K N 0.146 120.347 120.400 -0.332 0.000 2.211 327 K HA -0.167 4.097 4.320 -0.092 0.000 0.204 327 K C -0.591 175.722 176.600 -0.479 0.000 1.047 327 K CA 1.720 57.595 56.287 -0.686 0.000 0.935 327 K CB -0.011 32.341 32.500 -0.246 0.000 0.728 327 K HN 0.595 nan 8.250 nan 0.000 0.452 328 D N -1.186 119.060 120.400 -0.256 0.000 2.881 328 D HA 0.073 4.658 4.640 -0.092 0.000 0.325 328 D C -1.112 175.122 176.300 -0.110 0.000 1.621 328 D CA -0.432 53.475 54.000 -0.155 0.000 0.785 328 D CB 0.412 41.157 40.800 -0.092 0.000 1.233 328 D HN -0.126 nan 8.370 nan 0.000 0.447 329 T N -0.739 113.734 114.554 -0.135 0.000 3.071 329 T HA 0.597 4.891 4.350 -0.092 0.000 0.311 329 T C -0.683 173.890 174.700 -0.212 0.000 1.042 329 T CA -0.570 61.442 62.100 -0.148 0.000 1.028 329 T CB 2.029 70.833 68.868 -0.108 0.000 1.068 329 T HN -0.113 nan 8.240 nan 0.000 0.451 330 T N 2.978 117.296 114.554 -0.394 0.000 2.792 330 T HA 0.646 4.941 4.350 -0.092 0.000 0.280 330 T C -0.347 174.014 174.700 -0.565 0.000 0.990 330 T CA -0.562 61.221 62.100 -0.528 0.000 0.960 330 T CB 1.283 69.662 68.868 -0.814 0.000 0.939 330 T HN 0.635 nan 8.240 nan 0.000 0.439 331 T N 3.834 118.204 114.554 -0.307 0.000 2.812 331 T HA 0.566 4.861 4.350 -0.092 0.000 0.282 331 T C -0.108 174.521 174.700 -0.117 0.000 0.990 331 T CA -0.512 61.473 62.100 -0.192 0.000 0.960 331 T CB 0.725 69.525 68.868 -0.113 0.000 0.948 331 T HN 0.421 nan 8.240 nan 0.000 0.438 332 I N 3.865 124.402 120.570 -0.055 0.000 2.339 332 I HA 0.455 4.569 4.170 -0.092 0.000 0.290 332 I C -0.512 175.605 176.117 -0.000 0.000 0.994 332 I CA -0.715 60.586 61.300 0.001 0.000 1.191 332 I CB 1.103 39.147 38.000 0.074 0.000 1.343 332 I HN 0.486 nan 8.210 nan 0.000 0.458 333 I N 5.724 126.287 120.570 -0.011 0.000 2.389 333 I HA 0.278 4.392 4.170 -0.092 0.000 0.288 333 I C -0.502 175.607 176.117 -0.015 0.000 0.999 333 I CA -0.433 60.859 61.300 -0.013 0.000 1.129 333 I CB 1.373 39.361 38.000 -0.019 0.000 1.288 333 I HN 0.549 nan 8.210 nan 0.000 0.444 334 D N 4.873 125.267 120.400 -0.011 0.000 3.133 334 D HA -0.120 4.464 4.640 -0.092 0.000 0.239 334 D C 0.172 176.461 176.300 -0.018 0.000 1.136 334 D CA 0.940 54.932 54.000 -0.014 0.000 0.898 334 D CB -0.249 40.539 40.800 -0.019 0.000 0.959 334 D HN 0.813 nan 8.370 nan 0.000 0.415 335 G N 0.405 109.200 108.800 -0.009 0.000 2.467 335 G HA2 0.409 4.314 3.960 -0.092 0.000 0.257 335 G HA3 0.409 4.314 3.960 -0.092 0.000 0.257 335 G C 1.286 176.178 174.900 -0.013 0.000 1.227 335 G CA -0.374 44.720 45.100 -0.010 0.000 0.835 335 G HN 0.387 nan 8.290 nan 0.000 0.556 336 V N 2.031 121.934 119.914 -0.018 0.000 3.630 336 V HA 0.140 4.204 4.120 -0.092 0.000 0.273 336 V C 1.821 177.912 176.094 -0.004 0.000 1.248 336 V CA 0.300 62.590 62.300 -0.016 0.000 1.170 336 V CB -0.868 30.940 31.823 -0.026 0.000 0.899 336 V HN 0.752 nan 8.190 nan 0.000 0.457 337 G N 0.699 109.498 108.800 -0.000 0.000 2.398 337 G HA2 0.201 4.105 3.960 -0.092 0.000 0.246 337 G HA3 0.201 4.105 3.960 -0.092 0.000 0.246 337 G C 0.079 174.980 174.900 0.001 0.000 1.289 337 G CA -0.253 44.849 45.100 0.003 0.000 0.869 337 G HN 0.249 nan 8.290 nan 0.000 0.543 338 E N 0.855 121.056 120.200 0.002 0.000 2.437 338 E HA -0.067 4.227 4.350 -0.092 0.000 0.263 338 E C 1.146 177.746 176.600 -0.000 0.000 1.030 338 E CA 0.028 56.429 56.400 0.001 0.000 0.934 338 E CB 1.115 30.817 29.700 0.002 0.000 0.943 338 E HN 0.786 nan 8.360 nan 0.000 0.444 339 E N 1.639 121.838 120.200 -0.001 0.000 2.208 339 E HA -0.132 4.163 4.350 -0.092 0.000 0.193 339 E C 1.565 178.164 176.600 -0.002 0.000 0.988 339 E CA 0.799 57.198 56.400 -0.001 0.000 0.828 339 E CB 0.169 29.868 29.700 -0.002 0.000 0.763 339 E HN 0.540 nan 8.360 nan 0.000 0.478 340 A N 1.017 123.837 122.820 -0.001 0.000 1.930 340 A HA -0.037 4.227 4.320 -0.092 0.000 0.217 340 A C 2.291 179.873 177.584 -0.002 0.000 1.175 340 A CA 1.479 53.515 52.037 -0.001 0.000 0.627 340 A CB -0.409 18.591 19.000 -0.001 0.000 0.815 340 A HN 0.349 nan 8.150 nan 0.000 0.443 341 A N 0.125 122.944 122.820 -0.001 0.000 1.872 341 A HA 0.004 4.269 4.320 -0.092 0.000 0.214 341 A C 2.075 179.658 177.584 -0.003 0.000 1.187 341 A CA 1.375 53.411 52.037 -0.002 0.000 0.614 341 A CB -0.588 18.412 19.000 -0.000 0.000 0.826 341 A HN 0.465 nan 8.150 nan 0.000 0.442 342 I N -0.462 120.107 120.570 -0.002 0.000 2.286 342 I HA -0.264 3.850 4.170 -0.092 0.000 0.248 342 I C 2.658 178.772 176.117 -0.004 0.000 1.115 342 I CA 1.095 62.393 61.300 -0.003 0.000 1.392 342 I CB -0.382 37.617 38.000 -0.001 0.000 1.065 342 I HN 0.337 nan 8.210 nan 0.000 0.418 343 Q N 0.701 120.499 119.800 -0.004 0.000 2.119 343 Q HA -0.118 4.166 4.340 -0.092 0.000 0.201 343 Q C 2.387 178.383 176.000 -0.005 0.000 0.972 343 Q CA 1.723 57.523 55.803 -0.004 0.000 0.847 343 Q CB -0.485 28.251 28.738 -0.004 0.000 0.903 343 Q HN 0.630 nan 8.270 nan 0.000 0.433 344 G N 0.742 109.539 108.800 -0.005 0.000 2.422 344 G HA2 -0.277 3.628 3.960 -0.092 0.000 0.218 344 G HA3 -0.277 3.628 3.960 -0.092 0.000 0.218 344 G C 1.588 176.484 174.900 -0.007 0.000 1.140 344 G CA 0.776 45.873 45.100 -0.005 0.000 0.775 344 G HN 0.260 nan 8.290 nan 0.000 0.545 345 R N -0.212 120.283 120.500 -0.008 0.000 2.062 345 R HA 0.045 4.329 4.340 -0.092 0.000 0.226 345 R C 2.618 178.911 176.300 -0.012 0.000 1.125 345 R CA 1.030 57.124 56.100 -0.010 0.000 0.966 345 R CB -0.399 29.894 30.300 -0.012 0.000 0.861 345 R HN 0.165 nan 8.270 nan 0.000 0.433 346 V N 1.487 121.395 119.914 -0.010 0.000 2.380 346 V HA -0.292 3.772 4.120 -0.092 0.000 0.251 346 V C 2.446 178.533 176.094 -0.011 0.000 1.063 346 V CA 1.967 64.261 62.300 -0.011 0.000 1.055 346 V CB -0.882 30.936 31.823 -0.009 0.000 0.657 346 V HN 0.564 nan 8.190 nan 0.000 0.455 347 A N -0.704 122.111 122.820 -0.009 0.000 1.883 347 A HA -0.316 3.948 4.320 -0.092 0.000 0.217 347 A C 2.193 179.771 177.584 -0.010 0.000 1.186 347 A CA 2.115 54.147 52.037 -0.008 0.000 0.624 347 A CB -0.521 18.475 19.000 -0.007 0.000 0.822 347 A HN 0.616 nan 8.150 nan 0.000 0.444 348 Q N -0.545 119.248 119.800 -0.011 0.000 2.096 348 Q HA -0.139 4.145 4.340 -0.092 0.000 0.204 348 Q C 2.019 178.010 176.000 -0.014 0.000 0.982 348 Q CA 1.724 57.520 55.803 -0.012 0.000 0.850 348 Q CB -0.381 28.349 28.738 -0.013 0.000 0.901 348 Q HN 0.792 nan 8.270 nan 0.000 0.422 349 I N 0.028 120.588 120.570 -0.016 0.000 2.252 349 I HA -0.238 3.876 4.170 -0.092 0.000 0.245 349 I C 2.230 178.337 176.117 -0.017 0.000 1.102 349 I CA 1.074 62.362 61.300 -0.019 0.000 1.385 349 I CB -0.239 37.748 38.000 -0.022 0.000 1.064 349 I HN 0.064 nan 8.210 nan 0.000 0.414 350 R N 0.316 120.807 120.500 -0.014 0.000 2.189 350 R HA -0.184 4.101 4.340 -0.092 0.000 0.223 350 R C 2.264 178.558 176.300 -0.011 0.000 1.092 350 R CA 0.925 57.017 56.100 -0.013 0.000 0.989 350 R CB -0.207 30.086 30.300 -0.011 0.000 0.876 350 R HN 0.297 nan 8.270 nan 0.000 0.457 351 Q N 0.851 120.645 119.800 -0.010 0.000 2.167 351 Q HA -0.153 4.131 4.340 -0.092 0.000 0.202 351 Q C 1.640 177.635 176.000 -0.009 0.000 0.970 351 Q CA 1.587 57.385 55.803 -0.008 0.000 0.855 351 Q CB 0.217 28.950 28.738 -0.008 0.000 0.911 351 Q HN 0.348 nan 8.270 nan 0.000 0.438 352 Q N -0.698 119.096 119.800 -0.011 0.000 2.245 352 Q HA 0.001 4.286 4.340 -0.092 0.000 0.201 352 Q C 1.894 177.888 176.000 -0.010 0.000 0.955 352 Q CA 0.990 56.787 55.803 -0.010 0.000 0.870 352 Q CB 0.096 28.826 28.738 -0.014 0.000 0.945 352 Q HN 0.440 nan 8.270 nan 0.000 0.461 353 I N 0.951 121.514 120.570 -0.012 0.000 2.286 353 I HA -0.222 3.892 4.170 -0.092 0.000 0.248 353 I C 1.921 178.034 176.117 -0.007 0.000 1.115 353 I CA 0.900 62.193 61.300 -0.011 0.000 1.392 353 I CB -0.161 37.831 38.000 -0.014 0.000 1.065 353 I HN 0.155 nan 8.210 nan 0.000 0.418 354 E N 0.703 120.899 120.200 -0.006 0.000 2.347 354 E HA -0.134 4.161 4.350 -0.092 0.000 0.196 354 E C 1.598 178.197 176.600 -0.002 0.000 1.008 354 E CA 0.797 57.195 56.400 -0.004 0.000 0.852 354 E CB 0.132 29.830 29.700 -0.004 0.000 0.783 354 E HN 0.625 nan 8.360 nan 0.000 0.505 355 E N 0.617 120.816 120.200 -0.002 0.000 2.062 355 E HA 0.189 4.483 4.350 -0.092 0.000 0.196 355 E C 0.525 177.127 176.600 0.002 0.000 0.949 355 E CA 0.128 56.527 56.400 -0.001 0.000 0.889 355 E CB 0.014 29.713 29.700 -0.002 0.000 0.928 355 E HN 0.001 nan 8.360 nan 0.000 0.476 356 A N 1.948 124.771 122.820 0.004 0.000 2.496 356 A HA 0.035 4.300 4.320 -0.092 0.000 0.278 356 A C 0.942 178.534 177.584 0.013 0.000 1.137 356 A CA 0.245 52.288 52.037 0.010 0.000 0.805 356 A CB -0.476 18.532 19.000 0.013 0.000 1.077 356 A HN 0.402 nan 8.150 nan 0.000 0.513 357 T N 0.510 115.072 114.554 0.013 0.000 3.160 357 T HA 0.057 4.351 4.350 -0.092 0.000 0.257 357 T C 0.916 175.630 174.700 0.023 0.000 1.147 357 T CA 0.615 62.724 62.100 0.014 0.000 1.064 357 T CB -0.381 68.494 68.868 0.011 0.000 0.949 357 T HN 0.648 nan 8.240 nan 0.000 0.526 358 S N 1.108 116.827 115.700 0.032 0.000 2.516 358 S HA 0.052 4.467 4.470 -0.092 0.000 0.282 358 S C 1.003 175.642 174.600 0.064 0.000 1.286 358 S CA -0.614 57.617 58.200 0.051 0.000 1.066 358 S CB 0.193 63.432 63.200 0.064 0.000 0.884 358 S HN 0.281 nan 8.310 nan 0.000 0.491 359 D N 3.585 124.027 120.400 0.069 0.000 2.144 359 D HA -0.128 4.457 4.640 -0.092 0.000 0.200 359 D C 1.308 177.656 176.300 0.079 0.000 0.978 359 D CA 1.324 55.360 54.000 0.060 0.000 0.833 359 D CB -0.177 40.655 40.800 0.054 0.000 0.961 359 D HN 0.856 nan 8.370 nan 0.000 0.470 360 Y N 2.120 122.419 120.300 -0.001 0.000 2.097 360 Y HA -0.237 4.257 4.550 -0.095 0.000 0.282 360 Y C 1.629 177.524 175.900 -0.008 0.000 1.152 360 Y CA 1.996 60.096 58.100 -0.001 0.000 1.136 360 Y CB -0.189 38.273 38.460 0.002 0.000 0.975 360 Y HN -0.144 nan 8.280 nan 0.000 0.498 361 D N -0.502 120.002 120.400 0.172 0.000 2.178 361 D HA -0.164 4.420 4.640 -0.092 0.000 0.201 361 D C 2.186 178.470 176.300 -0.028 0.000 0.980 361 D CA 1.367 55.406 54.000 0.065 0.000 0.842 361 D CB -0.227 40.627 40.800 0.090 0.000 0.948 361 D HN 0.323 nan 8.370 nan 0.000 0.472 362 R N 0.665 121.154 120.500 -0.018 0.000 2.061 362 R HA -0.140 4.144 4.340 -0.092 0.000 0.230 362 R C 1.712 177.973 176.300 -0.066 0.000 1.140 362 R CA 1.292 57.373 56.100 -0.031 0.000 0.940 362 R CB 0.002 30.295 30.300 -0.011 0.000 0.839 362 R HN -0.029 nan 8.270 nan 0.000 0.429 363 E N 0.271 120.415 120.200 -0.093 0.000 2.268 363 E HA -0.110 4.184 4.350 -0.092 0.000 0.195 363 E C 1.722 178.227 176.600 -0.158 0.000 0.995 363 E CA 0.908 57.241 56.400 -0.113 0.000 0.836 363 E CB 0.173 29.805 29.700 -0.113 0.000 0.763 363 E HN 0.147 nan 8.360 nan 0.000 0.491 364 K N -0.196 120.068 120.400 -0.227 0.000 2.155 364 K HA -0.003 4.262 4.320 -0.092 0.000 0.203 364 K C 1.946 178.472 176.600 -0.124 0.000 1.052 364 K CA 0.653 56.805 56.287 -0.225 0.000 0.948 364 K CB -0.083 32.232 32.500 -0.307 0.000 0.728 364 K HN 0.244 nan 8.250 nan 0.000 0.448 365 L N 0.331 121.498 121.223 -0.094 0.000 2.131 365 L HA -0.094 4.191 4.340 -0.092 0.000 0.206 365 L C 2.404 179.244 176.870 -0.051 0.000 1.087 365 L CA 0.897 55.700 54.840 -0.061 0.000 0.767 365 L CB -0.210 41.822 42.059 -0.045 0.000 0.917 365 L HN 0.127 nan 8.230 nan 0.000 0.441 366 Q N -0.285 119.483 119.800 -0.053 0.000 2.230 366 Q HA -0.214 4.071 4.340 -0.092 0.000 0.202 366 Q C 2.049 178.025 176.000 -0.040 0.000 0.963 366 Q CA 1.003 56.782 55.803 -0.041 0.000 0.866 366 Q CB 0.096 28.811 28.738 -0.038 0.000 0.931 366 Q HN 0.400 nan 8.270 nan 0.000 0.452 367 E N 0.524 120.692 120.200 -0.054 0.000 2.160 367 E HA -0.215 4.080 4.350 -0.092 0.000 0.195 367 E C 1.754 178.335 176.600 -0.032 0.000 0.991 367 E CA 0.846 57.219 56.400 -0.045 0.000 0.810 367 E CB 0.225 29.887 29.700 -0.064 0.000 0.742 367 E HN 0.244 nan 8.360 nan 0.000 0.466 368 R N -0.048 120.429 120.500 -0.038 0.000 2.093 368 R HA -0.068 4.217 4.340 -0.092 0.000 0.224 368 R C 2.647 178.934 176.300 -0.021 0.000 1.101 368 R CA 1.230 57.312 56.100 -0.030 0.000 0.979 368 R CB -0.305 29.971 30.300 -0.040 0.000 0.877 368 R HN 0.232 nan 8.270 nan 0.000 0.441 369 V N -1.245 118.655 119.914 -0.022 0.000 2.515 369 V HA -0.048 4.017 4.120 -0.092 0.000 0.250 369 V C 2.309 178.397 176.094 -0.011 0.000 1.058 369 V CA 1.619 63.909 62.300 -0.016 0.000 1.064 369 V CB -0.846 30.967 31.823 -0.017 0.000 0.675 369 V HN 0.189 nan 8.190 nan 0.000 0.461 370 A N 0.848 123.661 122.820 -0.012 0.000 1.845 370 A HA -0.207 4.058 4.320 -0.092 0.000 0.215 370 A C 2.332 179.916 177.584 -0.001 0.000 1.195 370 A CA 2.337 54.370 52.037 -0.008 0.000 0.616 370 A CB -0.750 18.244 19.000 -0.010 0.000 0.832 370 A HN 0.569 nan 8.150 nan 0.000 0.443 371 K N -1.223 119.179 120.400 0.004 0.000 2.113 371 K HA -0.169 4.096 4.320 -0.092 0.000 0.208 371 K C 1.862 178.473 176.600 0.017 0.000 1.047 371 K CA 1.544 57.841 56.287 0.018 0.000 0.928 371 K CB -0.301 32.218 32.500 0.032 0.000 0.716 371 K HN 0.362 nan 8.250 nan 0.000 0.446 372 L N 0.086 121.313 121.223 0.008 0.000 2.056 372 L HA 0.002 4.287 4.340 -0.092 0.000 0.202 372 L C 2.161 179.032 176.870 0.003 0.000 1.086 372 L CA 1.717 56.561 54.840 0.006 0.000 0.758 372 L CB -0.785 41.273 42.059 -0.002 0.000 0.912 372 L HN 0.087 nan 8.230 nan 0.000 0.446 373 A N -0.861 121.959 122.820 -0.001 0.000 2.019 373 A HA -0.054 4.211 4.320 -0.092 0.000 0.219 373 A C 2.210 179.793 177.584 -0.002 0.000 1.164 373 A CA 1.465 53.501 52.037 -0.002 0.000 0.644 373 A CB -1.362 17.635 19.000 -0.005 0.000 0.805 373 A HN 0.537 nan 8.150 nan 0.000 0.449 374 G N -1.071 107.728 108.800 -0.001 0.000 2.403 374 G HA2 0.353 4.257 3.960 -0.092 0.000 0.216 374 G HA3 0.353 4.257 3.960 -0.092 0.000 0.216 374 G C 1.197 176.096 174.900 -0.001 0.000 1.154 374 G CA 0.757 45.855 45.100 -0.002 0.000 0.784 374 G HN 1.678 nan 8.290 nan 0.000 0.538 375 G N -1.635 107.166 108.800 0.002 0.000 2.693 375 G HA2 -0.015 3.889 3.960 -0.092 0.000 0.226 375 G HA3 -0.015 3.889 3.960 -0.092 0.000 0.226 375 G C -0.634 174.265 174.900 -0.001 0.000 1.354 375 G CA -0.228 44.873 45.100 0.002 0.000 0.873 375 G HN 1.022 nan 8.290 nan 0.000 0.562 376 V N 0.399 120.311 119.914 -0.004 0.000 2.638 376 V HA 0.735 4.799 4.120 -0.092 0.000 0.306 376 V C 0.766 176.854 176.094 -0.010 0.000 1.052 376 V CA -0.070 62.224 62.300 -0.009 0.000 0.885 376 V CB 1.475 33.292 31.823 -0.010 0.000 0.999 376 V HN 2.096 nan 8.190 nan 0.000 0.424 377 A N 4.403 127.216 122.820 -0.012 0.000 2.362 377 A HA 0.690 4.954 4.320 -0.092 0.000 0.276 377 A C -0.435 177.142 177.584 -0.012 0.000 1.153 377 A CA -0.244 51.786 52.037 -0.011 0.000 0.813 377 A CB 0.543 19.536 19.000 -0.012 0.000 1.081 377 A HN 0.747 nan 8.150 nan 0.000 0.507 378 V N 4.911 124.819 119.914 -0.010 0.000 2.357 378 V HA 0.292 4.356 4.120 -0.092 0.000 0.284 378 V C -0.139 175.951 176.094 -0.007 0.000 1.018 378 V CA -0.143 62.151 62.300 -0.009 0.000 0.841 378 V CB 1.048 32.865 31.823 -0.009 0.000 0.991 378 V HN 0.726 nan 8.190 nan 0.000 0.437 379 I N 5.301 125.868 120.570 -0.006 0.000 2.315 379 I HA 0.389 4.504 4.170 -0.092 0.000 0.291 379 I C 0.263 176.378 176.117 -0.003 0.000 1.006 379 I CA -0.359 60.938 61.300 -0.004 0.000 1.265 379 I CB 0.900 38.899 38.000 -0.002 0.000 1.387 379 I HN 0.460 nan 8.210 nan 0.000 0.475 380 K N 5.879 126.277 120.400 -0.003 0.000 2.240 380 K HA 0.501 4.765 4.320 -0.092 0.000 0.271 380 K C -0.915 175.684 176.600 -0.002 0.000 1.018 380 K CA -0.708 55.578 56.287 -0.003 0.000 0.874 380 K CB 2.414 34.912 32.500 -0.004 0.000 1.098 380 K HN 0.309 nan 8.250 nan 0.000 0.458 381 V N 2.697 122.610 119.914 -0.001 0.000 2.406 381 V HA 0.293 4.357 4.120 -0.092 0.000 0.272 381 V C 0.605 176.698 176.094 -0.001 0.000 1.043 381 V CA -0.462 61.838 62.300 -0.001 0.000 0.915 381 V CB 1.272 33.095 31.823 0.001 0.000 0.988 381 V HN 0.922 nan 8.190 nan 0.000 0.466 382 G N 3.301 112.100 108.800 -0.002 0.000 2.410 382 G HA2 0.854 4.759 3.960 -0.092 0.000 0.330 382 G HA3 0.854 4.759 3.960 -0.092 0.000 0.330 382 G C -0.596 174.302 174.900 -0.002 0.000 1.142 382 G CA 0.077 45.176 45.100 -0.002 0.000 0.902 382 G HN 1.208 nan 8.290 nan 0.000 0.491 383 A N -0.606 122.213 122.820 -0.002 0.000 2.540 383 A HA 0.756 5.020 4.320 -0.092 0.000 0.291 383 A C 0.792 178.375 177.584 -0.003 0.000 1.083 383 A CA 0.389 52.424 52.037 -0.003 0.000 0.650 383 A CB 0.362 19.360 19.000 -0.003 0.000 1.292 383 A HN 1.872 nan 8.150 nan 0.000 0.435 384 A N -0.514 122.304 122.820 -0.003 0.000 2.014 384 A HA 0.409 4.674 4.320 -0.092 0.000 0.218 384 A C 1.064 178.647 177.584 -0.003 0.000 1.163 384 A CA 2.282 54.318 52.037 -0.003 0.000 0.652 384 A CB -0.503 18.495 19.000 -0.003 0.000 0.808 384 A HN 1.336 nan 8.150 nan 0.000 0.449 385 T N -2.730 111.822 114.554 -0.003 0.000 2.887 385 T HA 0.371 4.665 4.350 -0.092 0.000 0.292 385 T C 0.581 175.280 174.700 -0.002 0.000 1.087 385 T CA -0.328 61.770 62.100 -0.003 0.000 1.009 385 T CB 1.894 70.760 68.868 -0.003 0.000 1.203 385 T HN 0.237 nan 8.240 nan 0.000 0.518 386 E N 0.219 120.418 120.200 -0.002 0.000 2.072 386 E HA -0.130 4.164 4.350 -0.092 0.000 0.191 386 E C 2.126 178.724 176.600 -0.002 0.000 0.985 386 E CA 1.277 57.676 56.400 -0.002 0.000 0.801 386 E CB -0.100 29.599 29.700 -0.001 0.000 0.750 386 E HN 0.532 nan 8.360 nan 0.000 0.452 387 V N -0.077 119.835 119.914 -0.003 0.000 2.233 387 V HA -0.265 3.800 4.120 -0.092 0.000 0.247 387 V C 2.026 178.117 176.094 -0.004 0.000 1.050 387 V CA 2.164 64.461 62.300 -0.004 0.000 1.010 387 V CB -1.098 30.722 31.823 -0.005 0.000 0.637 387 V HN 0.151 nan 8.190 nan 0.000 0.444 388 E N -0.230 119.967 120.200 -0.004 0.000 2.130 388 E HA -0.241 4.054 4.350 -0.092 0.000 0.196 388 E C 2.153 178.751 176.600 -0.004 0.000 0.998 388 E CA 1.846 58.243 56.400 -0.005 0.000 0.806 388 E CB -0.283 29.414 29.700 -0.004 0.000 0.738 388 E HN 0.529 nan 8.360 nan 0.000 0.459 389 M N 0.948 120.546 119.600 -0.003 0.000 2.066 389 M HA -0.187 4.238 4.480 -0.092 0.000 0.259 389 M C 1.782 178.080 176.300 -0.002 0.000 1.074 389 M CA 1.660 56.959 55.300 -0.003 0.000 1.114 389 M CB -0.241 32.358 32.600 -0.002 0.000 1.306 389 M HN -0.104 nan 8.290 nan 0.000 0.411 390 K N 0.198 120.597 120.400 -0.003 0.000 2.113 390 K HA -0.189 4.075 4.320 -0.092 0.000 0.208 390 K C 1.940 178.538 176.600 -0.004 0.000 1.047 390 K CA 1.221 57.507 56.287 -0.003 0.000 0.928 390 K CB -0.664 31.835 32.500 -0.003 0.000 0.716 390 K HN 0.465 nan 8.250 nan 0.000 0.446 391 E N 1.270 121.467 120.200 -0.005 0.000 2.072 391 E HA -0.158 4.137 4.350 -0.092 0.000 0.191 391 E C 1.978 178.574 176.600 -0.006 0.000 0.985 391 E CA 1.093 57.489 56.400 -0.007 0.000 0.801 391 E CB 0.133 29.829 29.700 -0.008 0.000 0.750 391 E HN 0.216 nan 8.360 nan 0.000 0.452 392 K N 0.859 121.256 120.400 -0.004 0.000 2.062 392 K HA -0.135 4.130 4.320 -0.092 0.000 0.205 392 K C 2.300 178.900 176.600 -0.001 0.000 1.051 392 K CA 1.176 57.462 56.287 -0.003 0.000 0.941 392 K CB -0.062 32.436 32.500 -0.003 0.000 0.719 392 K HN -0.094 nan 8.250 nan 0.000 0.440 393 K N 0.417 120.817 120.400 0.000 0.000 2.074 393 K HA -0.192 4.072 4.320 -0.092 0.000 0.209 393 K C 1.930 178.533 176.600 0.005 0.000 1.048 393 K CA 1.486 57.774 56.287 0.003 0.000 0.926 393 K CB -0.214 32.287 32.500 0.003 0.000 0.713 393 K HN 0.199 nan 8.250 nan 0.000 0.444 394 A N 1.490 124.309 122.820 -0.000 0.000 1.883 394 A HA -0.167 4.098 4.320 -0.092 0.000 0.217 394 A C 2.122 179.704 177.584 -0.003 0.000 1.186 394 A CA 1.583 53.618 52.037 -0.004 0.000 0.624 394 A CB -0.554 18.439 19.000 -0.011 0.000 0.822 394 A HN 0.361 nan 8.150 nan 0.000 0.444 395 R N -0.758 119.740 120.500 -0.003 0.000 2.152 395 R HA -0.078 4.207 4.340 -0.092 0.000 0.232 395 R C 1.974 178.278 176.300 0.007 0.000 1.117 395 R CA 1.314 57.413 56.100 -0.002 0.000 0.981 395 R CB -0.409 29.889 30.300 -0.004 0.000 0.870 395 R HN 0.439 nan 8.270 nan 0.000 0.451 396 V N 0.836 120.756 119.914 0.011 0.000 2.323 396 V HA -0.194 3.870 4.120 -0.092 0.000 0.244 396 V C 2.041 178.158 176.094 0.038 0.000 1.041 396 V CA 1.646 63.957 62.300 0.019 0.000 1.025 396 V CB -0.338 31.493 31.823 0.014 0.000 0.656 396 V HN 0.324 nan 8.190 nan 0.000 0.451 397 E N -0.010 120.216 120.200 0.042 0.000 2.038 397 E HA -0.304 3.991 4.350 -0.092 0.000 0.195 397 E C 1.991 178.667 176.600 0.128 0.000 1.000 397 E CA 1.853 58.302 56.400 0.083 0.000 0.803 397 E CB -0.215 29.518 29.700 0.056 0.000 0.750 397 E HN 0.599 nan 8.360 nan 0.000 0.448 398 D N -0.056 120.365 120.400 0.034 0.000 2.144 398 D HA -0.072 4.512 4.640 -0.092 0.000 0.200 398 D C 1.780 178.116 176.300 0.059 0.000 0.978 398 D CA 1.184 55.180 54.000 -0.007 0.000 0.833 398 D CB 0.009 40.777 40.800 -0.053 0.000 0.961 398 D HN 0.153 nan 8.370 nan 0.000 0.470 399 A N 0.329 123.178 122.820 0.049 0.000 2.067 399 A HA -0.070 4.194 4.320 -0.092 0.000 0.219 399 A C 2.089 179.709 177.584 0.061 0.000 1.158 399 A CA 0.582 52.646 52.037 0.045 0.000 0.661 399 A CB -0.553 18.462 19.000 0.024 0.000 0.801 399 A HN 0.378 nan 8.150 nan 0.000 0.452 400 L N -0.736 120.539 121.223 0.088 0.000 2.044 400 L HA -0.121 4.163 4.340 -0.092 0.000 0.205 400 L C 2.285 179.187 176.870 0.054 0.000 1.075 400 L CA 1.949 56.824 54.840 0.059 0.000 0.747 400 L CB -1.189 40.899 42.059 0.048 0.000 0.903 400 L HN 0.545 nan 8.230 nan 0.000 0.435 401 H N -0.353 118.715 119.070 -0.003 0.000 2.352 401 H HA -0.129 4.370 4.556 -0.095 0.000 0.299 401 H C 2.021 177.350 175.328 0.001 0.000 1.097 401 H CA 1.385 57.431 56.048 -0.002 0.000 1.311 401 H CB 0.173 29.934 29.762 -0.002 0.000 1.377 401 H HN 0.446 nan 8.280 nan 0.000 0.504 402 A N 0.364 123.265 122.820 0.135 0.000 2.067 402 A HA -0.107 4.158 4.320 -0.092 0.000 0.219 402 A C 2.372 179.982 177.584 0.043 0.000 1.158 402 A CA 1.684 53.763 52.037 0.071 0.000 0.661 402 A CB -0.398 18.631 19.000 0.048 0.000 0.801 402 A HN 0.324 nan 8.150 nan 0.000 0.452 403 T N -1.090 113.485 114.554 0.035 0.000 3.010 403 T HA 0.019 4.313 4.350 -0.092 0.000 0.252 403 T C 2.055 176.758 174.700 0.006 0.000 1.047 403 T CA 0.649 62.759 62.100 0.016 0.000 1.140 403 T CB -0.086 68.788 68.868 0.011 0.000 0.885 403 T HN 0.461 nan 8.240 nan 0.000 0.464 404 R N 1.364 121.861 120.500 -0.005 0.000 2.073 404 R HA 0.036 4.320 4.340 -0.092 0.000 0.234 404 R C 2.790 179.089 176.300 -0.002 0.000 1.134 404 R CA 1.358 57.448 56.100 -0.017 0.000 0.952 404 R CB -0.524 29.747 30.300 -0.049 0.000 0.850 404 R HN 0.331 nan 8.270 nan 0.000 0.433 405 A N 1.344 124.171 122.820 0.012 0.000 1.908 405 A HA -0.138 4.126 4.320 -0.092 0.000 0.218 405 A C 2.360 179.956 177.584 0.019 0.000 1.181 405 A CA 1.824 53.875 52.037 0.023 0.000 0.627 405 A CB -0.544 18.481 19.000 0.041 0.000 0.818 405 A HN 0.413 nan 8.150 nan 0.000 0.445 406 A N -0.914 121.917 122.820 0.018 0.000 1.968 406 A HA 0.113 4.378 4.320 -0.092 0.000 0.217 406 A C 2.185 179.775 177.584 0.010 0.000 1.169 406 A CA 1.509 53.554 52.037 0.014 0.000 0.638 406 A CB -0.650 18.358 19.000 0.014 0.000 0.812 406 A HN 0.341 nan 8.150 nan 0.000 0.446 407 V N -0.052 119.866 119.914 0.006 0.000 2.379 407 V HA -0.226 3.838 4.120 -0.092 0.000 0.245 407 V C 2.397 178.494 176.094 0.004 0.000 1.044 407 V CA 2.218 64.520 62.300 0.003 0.000 1.036 407 V CB -0.658 31.164 31.823 -0.001 0.000 0.664 407 V HN 0.633 nan 8.190 nan 0.000 0.453 408 E N -0.141 120.061 120.200 0.005 0.000 2.028 408 E HA -0.181 4.114 4.350 -0.092 0.000 0.191 408 E C 1.693 178.298 176.600 0.008 0.000 0.988 408 E CA 1.500 57.903 56.400 0.006 0.000 0.799 408 E CB 0.019 29.723 29.700 0.007 0.000 0.755 408 E HN 0.635 nan 8.360 nan 0.000 0.447 409 E N -0.997 119.210 120.200 0.011 0.000 2.676 409 E HA 0.226 4.521 4.350 -0.092 0.000 0.222 409 E C 0.143 176.751 176.600 0.013 0.000 0.968 409 E CA 0.104 56.511 56.400 0.013 0.000 1.090 409 E CB 1.652 31.361 29.700 0.015 0.000 1.066 409 E HN 0.250 nan 8.360 nan 0.000 0.496 410 G N 1.298 110.106 108.800 0.013 0.000 2.681 410 G HA2 -0.226 3.679 3.960 -0.092 0.000 0.220 410 G HA3 -0.226 3.679 3.960 -0.092 0.000 0.220 410 G C -0.276 174.633 174.900 0.015 0.000 1.353 410 G CA -0.447 44.661 45.100 0.013 0.000 0.872 410 G HN 0.469 nan 8.290 nan 0.000 0.557 411 V N -2.237 117.686 119.914 0.014 0.000 2.815 411 V HA 0.962 5.027 4.120 -0.092 0.000 0.314 411 V C 0.694 176.799 176.094 0.017 0.000 1.064 411 V CA 0.075 62.384 62.300 0.015 0.000 0.952 411 V CB 1.257 33.087 31.823 0.012 0.000 1.020 411 V HN 2.313 nan 8.190 nan 0.000 0.439 412 V N 0.060 119.985 119.914 0.018 0.000 3.158 412 V HA 0.997 5.061 4.120 -0.092 0.000 0.311 412 V C 0.565 176.672 176.094 0.020 0.000 1.181 412 V CA -0.763 61.550 62.300 0.022 0.000 1.054 412 V CB 1.235 33.073 31.823 0.025 0.000 1.085 412 V HN 1.851 nan 8.190 nan 0.000 0.446 413 A N 0.758 123.594 122.820 0.026 0.000 2.546 413 A HA 0.608 4.872 4.320 -0.092 0.000 0.243 413 A C 0.890 178.486 177.584 0.019 0.000 1.063 413 A CA 0.659 52.710 52.037 0.023 0.000 0.757 413 A CB -0.599 18.424 19.000 0.037 0.000 0.991 413 A HN 1.852 nan 8.150 nan 0.000 0.503 414 G N 0.896 109.700 108.800 0.006 0.000 2.504 414 G HA2 0.501 4.405 3.960 -0.092 0.000 0.257 414 G HA3 0.501 4.405 3.960 -0.092 0.000 0.257 414 G C 1.177 176.081 174.900 0.008 0.000 1.451 414 G CA -0.014 45.089 45.100 0.004 0.000 1.059 414 G HN 2.238 nan 8.290 nan 0.000 0.550 415 G N -1.905 106.897 108.800 0.003 0.000 2.258 415 G HA2 0.200 4.105 3.960 -0.092 0.000 0.274 415 G HA3 0.200 4.105 3.960 -0.092 0.000 0.274 415 G C 1.490 176.414 174.900 0.040 0.000 1.021 415 G CA 1.277 46.385 45.100 0.014 0.000 0.798 415 G HN 2.451 nan 8.290 nan 0.000 0.507 416 G N -2.449 106.372 108.800 0.035 0.000 2.168 416 G HA2 -0.092 3.812 3.960 -0.092 0.000 0.257 416 G HA3 -0.092 3.812 3.960 -0.092 0.000 0.257 416 G C 1.621 176.552 174.900 0.052 0.000 0.997 416 G CA 1.798 46.923 45.100 0.042 0.000 0.708 416 G HN 2.251 nan 8.290 nan 0.000 0.520 417 V N -3.054 116.894 119.914 0.057 0.000 3.235 417 V HA 0.577 4.641 4.120 -0.092 0.000 0.259 417 V C 2.540 178.673 176.094 0.066 0.000 1.133 417 V CA 1.517 63.861 62.300 0.074 0.000 1.128 417 V CB -0.127 31.751 31.823 0.092 0.000 0.757 417 V HN 1.210 nan 8.190 nan 0.000 0.469 418 A N 0.884 123.734 122.820 0.051 0.000 1.898 418 A HA 0.034 4.298 4.320 -0.092 0.000 0.216 418 A C 2.164 179.774 177.584 0.042 0.000 1.181 418 A CA 1.992 54.056 52.037 0.045 0.000 0.620 418 A CB -0.605 18.416 19.000 0.036 0.000 0.819 418 A HN 0.560 nan 8.150 nan 0.000 0.442 419 L N -0.924 120.323 121.223 0.039 0.000 2.141 419 L HA -0.078 4.207 4.340 -0.092 0.000 0.209 419 L C 2.430 179.321 176.870 0.036 0.000 1.094 419 L CA 1.253 56.114 54.840 0.035 0.000 0.763 419 L CB -0.205 41.873 42.059 0.033 0.000 0.908 419 L HN 0.557 nan 8.230 nan 0.000 0.437 420 I N -0.873 119.723 120.570 0.044 0.000 2.584 420 I HA -0.199 3.915 4.170 -0.092 0.000 0.255 420 I C 2.677 178.822 176.117 0.047 0.000 1.145 420 I CA 0.595 61.921 61.300 0.045 0.000 1.462 420 I CB 0.077 38.108 38.000 0.052 0.000 1.102 420 I HN 0.118 nan 8.210 nan 0.000 0.433 421 R N 0.567 121.100 120.500 0.055 0.000 2.070 421 R HA -0.121 4.164 4.340 -0.092 0.000 0.233 421 R C 2.063 178.386 176.300 0.038 0.000 1.137 421 R CA 2.290 58.422 56.100 0.054 0.000 0.945 421 R CB -1.092 29.247 30.300 0.064 0.000 0.845 421 R HN 0.257 nan 8.270 nan 0.000 0.430 422 V N 0.938 120.872 119.914 0.034 0.000 2.392 422 V HA -0.235 3.830 4.120 -0.092 0.000 0.249 422 V C 2.287 178.393 176.094 0.021 0.000 1.059 422 V CA 2.007 64.323 62.300 0.025 0.000 1.051 422 V CB -0.779 31.059 31.823 0.024 0.000 0.658 422 V HN 0.597 nan 8.190 nan 0.000 0.455 423 A N 0.111 122.945 122.820 0.023 0.000 1.933 423 A HA -0.194 4.071 4.320 -0.092 0.000 0.218 423 A C 2.500 180.094 177.584 0.017 0.000 1.175 423 A CA 2.115 54.163 52.037 0.019 0.000 0.628 423 A CB -0.677 18.335 19.000 0.020 0.000 0.814 423 A HN 0.701 nan 8.150 nan 0.000 0.444 424 S N -0.830 114.882 115.700 0.019 0.000 2.481 424 S HA -0.033 4.382 4.470 -0.092 0.000 0.231 424 S C 1.659 176.266 174.600 0.011 0.000 0.996 424 S CA 1.311 59.520 58.200 0.015 0.000 0.942 424 S CB -0.169 63.042 63.200 0.019 0.000 0.768 424 S HN 0.551 nan 8.310 nan 0.000 0.520 425 K N 0.661 121.069 120.400 0.012 0.000 2.186 425 K HA 0.321 4.585 4.320 -0.092 0.000 0.202 425 K C 1.017 177.621 176.600 0.007 0.000 1.052 425 K CA 0.560 56.852 56.287 0.009 0.000 0.965 425 K CB -0.130 32.377 32.500 0.011 0.000 0.746 425 K HN 0.376 nan 8.250 nan 0.000 0.457 426 L N 0.699 121.927 121.223 0.008 0.000 2.715 426 L HA 0.162 4.446 4.340 -0.092 0.000 0.238 426 L C 1.438 178.311 176.870 0.005 0.000 1.212 426 L CA -0.357 54.487 54.840 0.006 0.000 1.017 426 L CB -0.122 41.941 42.059 0.007 0.000 1.269 426 L HN 0.113 nan 8.230 nan 0.000 0.452 427 A N -0.665 122.158 122.820 0.004 0.000 2.172 427 A HA -0.117 4.148 4.320 -0.092 0.000 0.216 427 A C 1.409 178.994 177.584 0.002 0.000 1.154 427 A CA 1.149 53.188 52.037 0.003 0.000 0.701 427 A CB -0.128 18.874 19.000 0.002 0.000 0.789 427 A HN 0.333 nan 8.150 nan 0.000 0.465 428 D N -1.288 119.113 120.400 0.002 0.000 2.431 428 D HA 0.183 4.767 4.640 -0.092 0.000 0.213 428 D C -0.164 176.137 176.300 0.001 0.000 1.130 428 D CA -0.274 53.726 54.000 0.001 0.000 0.834 428 D CB 0.192 40.992 40.800 0.000 0.000 0.985 428 D HN 0.309 nan 8.370 nan 0.000 0.504 429 L N 2.014 123.239 121.223 0.002 0.000 2.462 429 L HA 0.167 4.452 4.340 -0.092 0.000 0.272 429 L C -0.009 176.862 176.870 0.002 0.000 1.166 429 L CA 0.447 55.288 54.840 0.002 0.000 0.880 429 L CB 0.120 42.181 42.059 0.002 0.000 1.142 429 L HN -0.237 nan 8.230 nan 0.000 0.473 430 R N 3.440 123.941 120.500 0.001 0.000 2.854 430 R HA 0.656 4.941 4.340 -0.092 0.000 0.271 430 R C 0.036 176.336 176.300 0.001 0.000 0.996 430 R CA -0.303 55.797 56.100 0.001 0.000 0.961 430 R CB 1.477 31.778 30.300 0.001 0.000 1.182 430 R HN 0.811 nan 8.270 nan 0.000 0.479 431 G N -0.091 108.710 108.800 0.001 0.000 2.695 431 G HA2 0.137 4.042 3.960 -0.092 0.000 0.213 431 G HA3 0.137 4.042 3.960 -0.092 0.000 0.213 431 G C 0.168 175.068 174.900 0.001 0.000 1.406 431 G CA -0.098 45.002 45.100 0.001 0.000 1.049 431 G HN 0.457 nan 8.290 nan 0.000 0.573 432 Q N -0.784 119.017 119.800 0.002 0.000 2.392 432 Q HA 0.145 4.430 4.340 -0.092 0.000 0.219 432 Q C -0.150 175.851 176.000 0.002 0.000 0.895 432 Q CA 0.356 56.159 55.803 0.001 0.000 0.929 432 Q CB 0.346 29.085 28.738 0.001 0.000 1.077 432 Q HN 0.653 nan 8.270 nan 0.000 0.532 433 N N -1.851 116.850 118.700 0.002 0.000 2.571 433 N HA 0.127 4.812 4.740 -0.092 0.000 0.273 433 N C -0.127 175.384 175.510 0.002 0.000 1.340 433 N CA -0.569 52.482 53.050 0.002 0.000 0.789 433 N CB 0.655 39.143 38.487 0.002 0.000 1.514 433 N HN -0.329 nan 8.380 nan 0.000 0.499 434 E N -0.064 120.137 120.200 0.002 0.000 2.204 434 E HA -0.140 4.155 4.350 -0.092 0.000 0.195 434 E C 0.288 176.889 176.600 0.003 0.000 0.990 434 E CA 1.030 57.431 56.400 0.002 0.000 0.821 434 E CB -0.283 29.419 29.700 0.002 0.000 0.750 434 E HN 0.603 nan 8.360 nan 0.000 0.477 435 D N 0.838 121.240 120.400 0.003 0.000 2.123 435 D HA -0.148 4.437 4.640 -0.092 0.000 0.196 435 D C 1.990 178.292 176.300 0.004 0.000 0.992 435 D CA 0.967 54.969 54.000 0.004 0.000 0.833 435 D CB -0.152 40.651 40.800 0.004 0.000 0.954 435 D HN 0.294 nan 8.370 nan 0.000 0.455 436 Q N 0.033 119.835 119.800 0.004 0.000 2.079 436 Q HA -0.101 4.184 4.340 -0.092 0.000 0.200 436 Q C 1.902 177.904 176.000 0.003 0.000 0.974 436 Q CA 0.744 56.549 55.803 0.003 0.000 0.840 436 Q CB -0.065 28.674 28.738 0.003 0.000 0.898 436 Q HN 0.262 nan 8.270 nan 0.000 0.430 437 N N 0.298 118.999 118.700 0.003 0.000 2.069 437 N HA -0.145 4.539 4.740 -0.092 0.000 0.191 437 N C 1.920 177.432 175.510 0.003 0.000 1.031 437 N CA 1.153 54.204 53.050 0.003 0.000 0.852 437 N CB -0.447 38.041 38.487 0.002 0.000 1.018 437 N HN 0.049 nan 8.380 nan 0.000 0.423 438 V N 0.989 120.905 119.914 0.004 0.000 2.287 438 V HA -0.181 3.883 4.120 -0.092 0.000 0.248 438 V C 2.486 178.583 176.094 0.005 0.000 1.053 438 V CA 2.067 64.370 62.300 0.004 0.000 1.027 438 V CB -1.326 30.499 31.823 0.004 0.000 0.646 438 V HN 0.363 nan 8.190 nan 0.000 0.447 439 G N -0.165 108.638 108.800 0.005 0.000 2.469 439 G HA2 -0.262 3.643 3.960 -0.092 0.000 0.220 439 G HA3 -0.262 3.643 3.960 -0.092 0.000 0.220 439 G C 1.561 176.465 174.900 0.006 0.000 1.136 439 G CA 1.257 46.361 45.100 0.006 0.000 0.759 439 G HN 0.510 nan 8.290 nan 0.000 0.562 440 I N 0.183 120.756 120.570 0.005 0.000 2.202 440 I HA -0.121 3.993 4.170 -0.092 0.000 0.242 440 I C 2.731 178.851 176.117 0.006 0.000 1.091 440 I CA 1.010 62.313 61.300 0.005 0.000 1.368 440 I CB -0.101 37.901 38.000 0.004 0.000 1.058 440 I HN -0.032 nan 8.210 nan 0.000 0.410 441 K N 0.642 121.046 120.400 0.005 0.000 2.063 441 K HA -0.109 4.155 4.320 -0.092 0.000 0.208 441 K C 2.167 178.771 176.600 0.007 0.000 1.048 441 K CA 1.084 57.375 56.287 0.006 0.000 0.928 441 K CB -0.932 31.570 32.500 0.005 0.000 0.713 441 K HN 0.184 nan 8.250 nan 0.000 0.442 442 V N 1.736 121.654 119.914 0.007 0.000 2.278 442 V HA -0.316 3.749 4.120 -0.092 0.000 0.251 442 V C 2.479 178.579 176.094 0.010 0.000 1.062 442 V CA 2.277 64.582 62.300 0.008 0.000 1.038 442 V CB -0.839 30.989 31.823 0.008 0.000 0.646 442 V HN 0.360 nan 8.190 nan 0.000 0.447 443 A N -0.770 122.055 122.820 0.009 0.000 1.897 443 A HA -0.078 4.186 4.320 -0.092 0.000 0.215 443 A C 2.173 179.764 177.584 0.011 0.000 1.181 443 A CA 1.532 53.575 52.037 0.010 0.000 0.620 443 A CB -0.437 18.568 19.000 0.008 0.000 0.821 443 A HN 0.514 nan 8.150 nan 0.000 0.443 444 L N -1.302 119.927 121.223 0.010 0.000 2.093 444 L HA -0.134 4.151 4.340 -0.092 0.000 0.208 444 L C 2.823 179.700 176.870 0.013 0.000 1.085 444 L CA 1.230 56.077 54.840 0.011 0.000 0.755 444 L CB -0.451 41.614 42.059 0.010 0.000 0.904 444 L HN 0.339 nan 8.230 nan 0.000 0.435 445 R N -0.019 120.488 120.500 0.011 0.000 2.092 445 R HA -0.085 4.199 4.340 -0.092 0.000 0.231 445 R C 2.472 178.780 176.300 0.013 0.000 1.119 445 R CA 1.234 57.341 56.100 0.011 0.000 0.970 445 R CB -0.392 29.914 30.300 0.009 0.000 0.864 445 R HN 0.325 nan 8.270 nan 0.000 0.440 446 A N 0.864 123.693 122.820 0.014 0.000 1.933 446 A HA -0.164 4.101 4.320 -0.092 0.000 0.218 446 A C 2.036 179.631 177.584 0.018 0.000 1.175 446 A CA 1.321 53.368 52.037 0.016 0.000 0.628 446 A CB -0.424 18.585 19.000 0.016 0.000 0.814 446 A HN 0.221 nan 8.150 nan 0.000 0.444 447 M N -0.399 119.213 119.600 0.019 0.000 2.539 447 M HA -0.121 4.304 4.480 -0.092 0.000 0.261 447 M C 1.358 177.673 176.300 0.025 0.000 1.069 447 M CA 1.042 56.355 55.300 0.022 0.000 1.081 447 M CB -0.296 32.317 32.600 0.021 0.000 1.412 447 M HN 0.481 nan 8.290 nan 0.000 0.482 448 E N 0.308 120.522 120.200 0.022 0.000 2.385 448 E HA 0.034 4.328 4.350 -0.092 0.000 0.194 448 E C 2.139 178.752 176.600 0.022 0.000 1.013 448 E CA 0.496 56.910 56.400 0.023 0.000 0.866 448 E CB 0.035 29.746 29.700 0.019 0.000 0.832 448 E HN 0.497 nan 8.360 nan 0.000 0.500 449 A N 2.734 125.566 122.820 0.020 0.000 1.869 449 A HA -0.176 4.089 4.320 -0.092 0.000 0.218 449 A C -0.240 177.356 177.584 0.020 0.000 1.203 449 A CA 1.583 53.631 52.037 0.018 0.000 0.638 449 A CB -1.600 17.411 19.000 0.018 0.000 0.831 449 A HN 0.138 nan 8.150 nan 0.000 0.450 450 P HA -0.147 nan 4.420 nan 0.000 0.215 450 P C 1.821 179.139 177.300 0.030 0.000 1.157 450 P CA 1.167 64.282 63.100 0.026 0.000 0.868 450 P CB -0.152 31.565 31.700 0.027 0.000 0.788 451 L N -0.599 120.646 121.223 0.036 0.000 2.017 451 L HA -0.144 4.140 4.340 -0.092 0.000 0.208 451 L C 2.462 179.353 176.870 0.035 0.000 1.073 451 L CA 1.824 56.692 54.840 0.047 0.000 0.745 451 L CB -0.486 41.607 42.059 0.057 0.000 0.894 451 L HN -0.250 nan 8.230 nan 0.000 0.432 452 R N -0.838 119.674 120.500 0.021 0.000 2.091 452 R HA -0.231 4.054 4.340 -0.092 0.000 0.238 452 R C 2.368 178.675 176.300 0.010 0.000 1.136 452 R CA 1.706 57.811 56.100 0.008 0.000 0.959 452 R CB -0.401 29.902 30.300 0.006 0.000 0.856 452 R HN 0.420 nan 8.270 nan 0.000 0.437 453 Q N 1.024 120.833 119.800 0.016 0.000 2.050 453 Q HA -0.099 4.186 4.340 -0.092 0.000 0.202 453 Q C 1.847 177.860 176.000 0.022 0.000 0.980 453 Q CA 1.624 57.437 55.803 0.016 0.000 0.840 453 Q CB -0.195 28.552 28.738 0.015 0.000 0.898 453 Q HN 0.336 nan 8.270 nan 0.000 0.424 454 I N -0.629 119.959 120.570 0.031 0.000 2.208 454 I HA -0.291 3.823 4.170 -0.092 0.000 0.245 454 I C 2.053 178.205 176.117 0.059 0.000 1.097 454 I CA 1.065 62.392 61.300 0.044 0.000 1.363 454 I CB -0.306 37.728 38.000 0.056 0.000 1.051 454 I HN 0.068 nan 8.210 nan 0.000 0.413 455 V N 0.378 120.325 119.914 0.055 0.000 2.427 455 V HA -0.250 3.814 4.120 -0.092 0.000 0.248 455 V C 2.316 178.421 176.094 0.018 0.000 1.051 455 V CA 1.468 63.791 62.300 0.037 0.000 1.048 455 V CB -0.441 31.352 31.823 -0.051 0.000 0.666 455 V HN 0.339 nan 8.190 nan 0.000 0.456 456 L N 0.643 121.873 121.223 0.011 0.000 2.017 456 L HA -0.149 4.136 4.340 -0.092 0.000 0.208 456 L C 2.283 179.161 176.870 0.013 0.000 1.073 456 L CA 1.948 56.793 54.840 0.008 0.000 0.745 456 L CB -0.773 41.290 42.059 0.005 0.000 0.894 456 L HN 0.292 nan 8.230 nan 0.000 0.432 457 N N -0.797 117.914 118.700 0.017 0.000 2.094 457 N HA -0.225 4.459 4.740 -0.092 0.000 0.191 457 N C 1.807 177.329 175.510 0.020 0.000 1.023 457 N CA 1.882 54.941 53.050 0.016 0.000 0.857 457 N CB -0.954 37.542 38.487 0.015 0.000 1.013 457 N HN 0.439 nan 8.380 nan 0.000 0.426 458 C N -0.737 118.583 119.300 0.033 0.000 2.456 458 C HA 0.188 4.593 4.460 -0.092 0.000 0.279 458 C C 1.626 176.637 174.990 0.034 0.000 1.427 458 C CA 0.512 59.555 59.018 0.042 0.000 1.778 458 C CB -1.337 26.453 27.740 0.084 0.000 1.842 458 C HN 0.671 nan 8.230 nan 0.000 0.531 459 G N 0.851 109.665 108.800 0.024 0.000 2.149 459 G HA2 -0.153 3.752 3.960 -0.092 0.000 0.235 459 G HA3 -0.153 3.752 3.960 -0.092 0.000 0.235 459 G C -0.306 174.603 174.900 0.015 0.000 1.018 459 G CA 0.129 45.238 45.100 0.016 0.000 0.728 459 G HN 0.518 nan 8.290 nan 0.000 0.508 460 E N -0.067 120.140 120.200 0.011 0.000 2.264 460 E HA 0.439 4.733 4.350 -0.092 0.000 0.260 460 E C 0.065 176.648 176.600 -0.028 0.000 0.961 460 E CA -0.862 55.534 56.400 -0.007 0.000 0.834 460 E CB 0.852 30.540 29.700 -0.020 0.000 1.230 460 E HN 0.456 nan 8.360 nan 0.000 0.412 461 E N 1.874 122.052 120.200 -0.037 0.000 2.166 461 E HA 0.071 4.366 4.350 -0.092 0.000 0.279 461 E C -1.662 174.905 176.600 -0.055 0.000 1.095 461 E CA -1.441 54.938 56.400 -0.035 0.000 0.888 461 E CB 0.700 30.385 29.700 -0.024 0.000 1.041 461 E HN 0.124 nan 8.360 nan 0.000 0.414 462 P HA -0.256 nan 4.420 nan 0.000 0.215 462 P C 1.475 178.753 177.300 -0.038 0.000 1.157 462 P CA 1.386 64.461 63.100 -0.043 0.000 0.868 462 P CB 0.154 31.841 31.700 -0.020 0.000 0.788 463 S N -0.891 114.794 115.700 -0.025 0.000 2.365 463 S HA -0.171 4.243 4.470 -0.092 0.000 0.225 463 S C 2.028 176.615 174.600 -0.022 0.000 1.039 463 S CA 1.891 60.081 58.200 -0.018 0.000 1.033 463 S CB -1.831 61.361 63.200 -0.013 0.000 0.887 463 S HN -0.042 nan 8.310 nan 0.000 0.447 464 V N 1.549 121.446 119.914 -0.029 0.000 2.270 464 V HA -0.109 3.956 4.120 -0.092 0.000 0.245 464 V C 2.723 178.798 176.094 -0.033 0.000 1.043 464 V CA 1.678 63.961 62.300 -0.028 0.000 1.014 464 V CB -0.808 31.000 31.823 -0.024 0.000 0.645 464 V HN 0.468 nan 8.190 nan 0.000 0.447 465 V N 0.283 120.155 119.914 -0.071 0.000 2.343 465 V HA -0.247 3.817 4.120 -0.092 0.000 0.247 465 V C 2.709 178.795 176.094 -0.015 0.000 1.051 465 V CA 1.930 64.174 62.300 -0.094 0.000 1.036 465 V CB -1.113 30.480 31.823 -0.384 0.000 0.654 465 V HN 0.555 nan 8.190 nan 0.000 0.451 466 A N 0.501 123.308 122.820 -0.022 0.000 1.883 466 A HA -0.325 3.940 4.320 -0.092 0.000 0.217 466 A C 2.072 179.669 177.584 0.021 0.000 1.186 466 A CA 2.452 54.496 52.037 0.012 0.000 0.624 466 A CB -0.934 18.068 19.000 0.004 0.000 0.822 466 A HN 0.604 nan 8.150 nan 0.000 0.444 467 N N -0.562 118.140 118.700 0.003 0.000 2.094 467 N HA -0.135 4.549 4.740 -0.092 0.000 0.191 467 N C 1.649 177.155 175.510 -0.006 0.000 1.023 467 N CA 2.378 55.425 53.050 -0.004 0.000 0.857 467 N CB -0.396 38.083 38.487 -0.015 0.000 1.013 467 N HN 0.459 nan 8.380 nan 0.000 0.426 468 T N -0.723 113.825 114.554 -0.009 0.000 2.812 468 T HA -0.027 4.268 4.350 -0.092 0.000 0.264 468 T C 1.995 176.727 174.700 0.053 0.000 1.042 468 T CA 1.085 63.155 62.100 -0.049 0.000 1.140 468 T CB -0.398 68.350 68.868 -0.200 0.000 0.870 468 T HN 0.010 nan 8.240 nan 0.000 0.445 469 V N 1.792 121.795 119.914 0.149 0.000 2.332 469 V HA -0.192 3.872 4.120 -0.092 0.000 0.248 469 V C 2.431 178.611 176.094 0.144 0.000 1.055 469 V CA 1.553 63.987 62.300 0.224 0.000 1.038 469 V CB -0.547 31.398 31.823 0.204 0.000 0.651 469 V HN 0.471 nan 8.190 nan 0.000 0.450 470 K N 0.287 120.733 120.400 0.076 0.000 2.211 470 K HA -0.123 4.142 4.320 -0.092 0.000 0.204 470 K C 2.113 178.720 176.600 0.012 0.000 1.047 470 K CA 1.288 57.600 56.287 0.041 0.000 0.935 470 K CB -0.500 32.013 32.500 0.022 0.000 0.728 470 K HN 0.592 nan 8.250 nan 0.000 0.452 471 G N 0.992 109.788 108.800 -0.008 0.000 2.484 471 G HA2 -0.061 3.844 3.960 -0.092 0.000 0.218 471 G HA3 -0.061 3.844 3.960 -0.092 0.000 0.218 471 G C 0.653 175.482 174.900 -0.117 0.000 1.130 471 G CA 0.401 45.463 45.100 -0.063 0.000 0.784 471 G HN 0.331 nan 8.290 nan 0.000 0.543 472 G N -0.704 108.040 108.800 -0.093 0.000 2.504 472 G HA2 0.486 4.391 3.960 -0.092 0.000 0.288 472 G HA3 0.486 4.391 3.960 -0.092 0.000 0.288 472 G C -1.212 173.653 174.900 -0.058 0.000 1.182 472 G CA -0.446 44.534 45.100 -0.200 0.000 0.894 472 G HN 0.046 nan 8.290 nan 0.000 0.521 473 D N -0.817 119.543 120.400 -0.067 0.000 2.269 473 D HA 0.550 5.135 4.640 -0.092 0.000 0.244 473 D C 1.010 177.345 176.300 0.059 0.000 0.992 473 D CA 0.900 54.899 54.000 -0.002 0.000 0.894 473 D CB 1.883 42.667 40.800 -0.027 0.000 1.248 473 D HN 0.777 nan 8.370 nan 0.000 0.468 474 G N 2.494 111.328 108.800 0.057 0.000 2.591 474 G HA2 -0.336 3.568 3.960 -0.092 0.000 0.298 474 G HA3 -0.336 3.568 3.960 -0.092 0.000 0.298 474 G C 0.199 175.156 174.900 0.096 0.000 1.195 474 G CA 0.185 45.326 45.100 0.068 0.000 0.989 474 G HN 0.609 nan 8.290 nan 0.000 0.551 475 N N 0.084 118.846 118.700 0.103 0.000 2.451 475 N HA 0.404 5.089 4.740 -0.092 0.000 0.264 475 N C -0.327 175.267 175.510 0.140 0.000 1.167 475 N CA -0.124 52.986 53.050 0.101 0.000 0.898 475 N CB 0.436 38.960 38.487 0.062 0.000 1.176 475 N HN 0.538 nan 8.380 nan 0.000 0.507 476 Y N 0.657 120.988 120.300 0.052 0.000 2.316 476 Y HA 0.579 5.072 4.550 -0.094 0.000 0.331 476 Y C 0.715 176.679 175.900 0.107 0.000 1.083 476 Y CA -0.121 58.024 58.100 0.075 0.000 1.206 476 Y CB 0.492 38.992 38.460 0.067 0.000 1.195 476 Y HN 0.103 nan 8.280 nan 0.000 0.497 477 G N 3.638 112.357 108.800 -0.134 0.000 2.650 477 G HA2 0.148 4.052 3.960 -0.092 0.000 0.310 477 G HA3 0.148 4.052 3.960 -0.092 0.000 0.310 477 G C -2.450 172.462 174.900 0.021 0.000 1.270 477 G CA -0.893 44.234 45.100 0.045 0.000 0.810 477 G HN 0.515 nan 8.290 nan 0.000 0.493 478 Y N 1.985 122.236 120.300 -0.081 0.000 2.417 478 Y HA 0.507 5.001 4.550 -0.094 0.000 0.336 478 Y C 0.283 176.036 175.900 -0.245 0.000 0.961 478 Y CA -1.376 56.551 58.100 -0.287 0.000 1.215 478 Y CB 0.860 39.189 38.460 -0.218 0.000 1.120 478 Y HN 0.392 nan 8.280 nan 0.000 0.499 479 N N 4.767 123.060 118.700 -0.678 0.000 2.412 479 N HA 0.014 4.699 4.740 -0.092 0.000 0.279 479 N C 0.696 175.647 175.510 -0.931 0.000 1.287 479 N CA 0.777 53.462 53.050 -0.608 0.000 0.948 479 N CB 1.134 39.355 38.487 -0.443 0.000 1.255 479 N HN 0.916 nan 8.380 nan 0.000 0.485 480 A N 3.708 126.152 122.820 -0.627 0.000 2.014 480 A HA 0.017 4.281 4.320 -0.092 0.000 0.218 480 A C 1.953 179.361 177.584 -0.295 0.000 1.163 480 A CA 1.494 53.247 52.037 -0.473 0.000 0.652 480 A CB -0.197 18.726 19.000 -0.129 0.000 0.808 480 A HN 0.693 nan 8.150 nan 0.000 0.449 481 A N -1.952 120.719 122.820 -0.248 0.000 1.887 481 A HA 0.056 4.321 4.320 -0.092 0.000 0.212 481 A C 2.221 179.708 177.584 -0.160 0.000 1.198 481 A CA 1.892 53.834 52.037 -0.158 0.000 0.628 481 A CB -0.802 18.128 19.000 -0.118 0.000 0.847 481 A HN 0.348 nan 8.150 nan 0.000 0.449 482 T N -1.167 113.268 114.554 -0.199 0.000 3.081 482 T HA 0.133 4.427 4.350 -0.092 0.000 0.250 482 T C 0.055 174.640 174.700 -0.192 0.000 1.100 482 T CA 0.587 62.590 62.100 -0.162 0.000 1.038 482 T CB -0.439 68.347 68.868 -0.136 0.000 0.962 482 T HN 0.542 nan 8.240 nan 0.000 0.516 483 E N 1.117 121.124 120.200 -0.322 0.000 2.416 483 E HA -0.155 4.139 4.350 -0.092 0.000 0.249 483 E C -0.288 176.117 176.600 -0.325 0.000 1.124 483 E CA 0.362 56.554 56.400 -0.345 0.000 0.732 483 E CB -0.979 28.668 29.700 -0.088 0.000 1.286 483 E HN 0.635 nan 8.360 nan 0.000 0.394 484 E N 0.345 120.280 120.200 -0.442 0.000 2.246 484 E HA 0.299 4.593 4.350 -0.092 0.000 0.266 484 E C -0.982 175.399 176.600 -0.365 0.000 0.880 484 E CA -0.654 55.575 56.400 -0.285 0.000 0.762 484 E CB 0.967 30.578 29.700 -0.148 0.000 1.180 484 E HN 0.070 nan 8.360 nan 0.000 0.416 485 Y N 1.912 122.142 120.300 -0.116 0.000 2.346 485 Y HA 0.549 5.043 4.550 -0.093 0.000 0.330 485 Y C 1.191 176.839 175.900 -0.420 0.000 1.178 485 Y CA 1.010 58.932 58.100 -0.296 0.000 1.331 485 Y CB 1.545 39.877 38.460 -0.213 0.000 1.253 485 Y HN 0.691 nan 8.280 nan 0.000 0.529 486 G N 1.252 109.719 108.800 -0.556 0.000 2.345 486 G HA2 -0.075 3.829 3.960 -0.092 0.000 0.285 486 G HA3 -0.075 3.829 3.960 -0.092 0.000 0.285 486 G C -1.642 173.139 174.900 -0.198 0.000 1.297 486 G CA -1.264 43.643 45.100 -0.321 0.000 0.875 486 G HN 0.560 nan 8.290 nan 0.000 0.506 487 N N 1.254 119.941 118.700 -0.021 0.000 2.416 487 N HA 0.037 4.722 4.740 -0.092 0.000 0.271 487 N C 1.738 177.235 175.510 -0.021 0.000 1.245 487 N CA -0.244 52.817 53.050 0.019 0.000 0.940 487 N CB 0.499 39.013 38.487 0.045 0.000 1.175 487 N HN 0.406 nan 8.380 nan 0.000 0.483 488 M N 3.530 123.117 119.600 -0.021 0.000 2.159 488 M HA -0.147 4.277 4.480 -0.092 0.000 0.263 488 M C 1.647 177.933 176.300 -0.024 0.000 1.063 488 M CA 0.989 56.267 55.300 -0.036 0.000 1.110 488 M CB -0.413 32.175 32.600 -0.020 0.000 1.374 488 M HN 0.543 nan 8.290 nan 0.000 0.411 489 I N 0.272 120.839 120.570 -0.005 0.000 2.202 489 I HA -0.237 3.877 4.170 -0.092 0.000 0.242 489 I C 1.820 177.932 176.117 -0.008 0.000 1.091 489 I CA 1.364 62.662 61.300 -0.003 0.000 1.368 489 I CB -1.653 36.352 38.000 0.008 0.000 1.058 489 I HN 0.197 nan 8.210 nan 0.000 0.410 490 D N 1.054 121.451 120.400 -0.005 0.000 2.123 490 D HA -0.165 4.420 4.640 -0.092 0.000 0.196 490 D C 2.233 178.521 176.300 -0.019 0.000 0.992 490 D CA 1.302 55.297 54.000 -0.007 0.000 0.833 490 D CB -0.223 40.576 40.800 -0.000 0.000 0.954 490 D HN 0.322 nan 8.370 nan 0.000 0.455 491 M N -0.882 118.699 119.600 -0.032 0.000 2.659 491 M HA 0.130 4.555 4.480 -0.092 0.000 0.243 491 M C 1.089 177.361 176.300 -0.046 0.000 1.111 491 M CA 0.699 55.971 55.300 -0.047 0.000 1.070 491 M CB 0.338 32.894 32.600 -0.073 0.000 1.525 491 M HN 0.103 nan 8.290 nan 0.000 0.517 492 G N 2.064 110.844 108.800 -0.034 0.000 2.147 492 G HA2 -0.246 3.659 3.960 -0.092 0.000 0.244 492 G HA3 -0.246 3.659 3.960 -0.092 0.000 0.244 492 G C -0.074 174.805 174.900 -0.035 0.000 1.005 492 G CA -0.242 44.840 45.100 -0.030 0.000 0.713 492 G HN 0.511 nan 8.290 nan 0.000 0.515 493 I N 0.968 121.513 120.570 -0.042 0.000 2.347 493 I HA 0.571 4.686 4.170 -0.092 0.000 0.283 493 I C 0.137 176.238 176.117 -0.026 0.000 1.058 493 I CA -0.915 60.358 61.300 -0.044 0.000 1.202 493 I CB 0.672 38.630 38.000 -0.070 0.000 1.386 493 I HN 0.231 nan 8.210 nan 0.000 0.475 494 L N 2.780 123.994 121.223 -0.015 0.000 2.424 494 L HA 0.768 5.052 4.340 -0.092 0.000 0.258 494 L C -1.257 175.615 176.870 0.002 0.000 0.995 494 L CA -0.721 54.117 54.840 -0.004 0.000 0.821 494 L CB 1.624 43.682 42.059 -0.001 0.000 1.383 494 L HN 0.066 nan 8.230 nan 0.000 0.410 495 D N 0.797 121.202 120.400 0.009 0.000 2.342 495 D HA 0.497 5.082 4.640 -0.092 0.000 0.243 495 D C -2.671 173.640 176.300 0.018 0.000 1.019 495 D CA -1.269 52.740 54.000 0.014 0.000 0.864 495 D CB 2.225 43.036 40.800 0.018 0.000 1.315 495 D HN 0.390 nan 8.370 nan 0.000 0.468 496 P HA 0.044 nan 4.420 nan 0.000 0.265 496 P C 0.836 178.152 177.300 0.026 0.000 1.193 496 P CA 0.052 63.166 63.100 0.023 0.000 0.765 496 P CB 0.567 32.284 31.700 0.029 0.000 0.823 497 T N 2.086 116.654 114.554 0.023 0.000 2.759 497 T HA -0.214 4.081 4.350 -0.092 0.000 0.269 497 T C 1.628 176.344 174.700 0.028 0.000 1.042 497 T CA 1.380 63.494 62.100 0.024 0.000 1.140 497 T CB -0.331 68.549 68.868 0.020 0.000 0.864 497 T HN 0.485 nan 8.240 nan 0.000 0.455 498 K N 0.830 121.249 120.400 0.031 0.000 2.074 498 K HA -0.144 4.121 4.320 -0.092 0.000 0.209 498 K C 2.421 179.052 176.600 0.052 0.000 1.048 498 K CA 1.652 57.962 56.287 0.039 0.000 0.926 498 K CB -0.384 32.141 32.500 0.041 0.000 0.713 498 K HN 0.366 nan 8.250 nan 0.000 0.444 499 V N -1.006 118.938 119.914 0.049 0.000 2.453 499 V HA -0.159 3.906 4.120 -0.092 0.000 0.247 499 V C 1.738 177.864 176.094 0.054 0.000 1.048 499 V CA 2.246 64.579 62.300 0.054 0.000 1.049 499 V CB -0.721 31.128 31.823 0.043 0.000 0.672 499 V HN 0.285 nan 8.190 nan 0.000 0.457 500 T N 0.435 115.014 114.554 0.042 0.000 2.737 500 T HA -0.129 4.165 4.350 -0.092 0.000 0.265 500 T C 1.987 176.710 174.700 0.039 0.000 1.038 500 T CA 2.030 64.153 62.100 0.039 0.000 1.144 500 T CB -0.378 68.508 68.868 0.031 0.000 0.866 500 T HN 0.590 nan 8.240 nan 0.000 0.434 501 R N 0.931 121.451 120.500 0.034 0.000 2.080 501 R HA -0.098 4.186 4.340 -0.092 0.000 0.236 501 R C 2.606 178.922 176.300 0.026 0.000 1.137 501 R CA 1.817 57.930 56.100 0.021 0.000 0.943 501 R CB -0.428 29.879 30.300 0.013 0.000 0.846 501 R HN 0.233 nan 8.270 nan 0.000 0.431 502 S N 0.463 116.202 115.700 0.066 0.000 2.356 502 S HA -0.145 4.270 4.470 -0.092 0.000 0.223 502 S C 2.003 176.733 174.600 0.216 0.000 1.032 502 S CA 1.213 59.500 58.200 0.146 0.000 1.005 502 S CB -0.289 63.047 63.200 0.228 0.000 0.867 502 S HN 0.585 nan 8.310 nan 0.000 0.449 503 A N 1.284 124.193 122.820 0.147 0.000 1.883 503 A HA -0.098 4.166 4.320 -0.092 0.000 0.217 503 A C 2.140 179.787 177.584 0.105 0.000 1.186 503 A CA 1.568 53.682 52.037 0.128 0.000 0.624 503 A CB -0.745 18.300 19.000 0.076 0.000 0.822 503 A HN 0.421 nan 8.150 nan 0.000 0.444 504 L N -0.360 120.900 121.223 0.062 0.000 2.027 504 L HA -0.161 4.123 4.340 -0.092 0.000 0.206 504 L C 2.498 179.377 176.870 0.015 0.000 1.074 504 L CA 2.339 57.200 54.840 0.035 0.000 0.745 504 L CB -0.839 41.232 42.059 0.019 0.000 0.898 504 L HN 0.507 nan 8.230 nan 0.000 0.433 505 Q N -1.754 118.028 119.800 -0.031 0.000 2.050 505 Q HA -0.237 4.048 4.340 -0.092 0.000 0.202 505 Q C 2.182 178.101 176.000 -0.135 0.000 0.980 505 Q CA 2.225 57.953 55.803 -0.124 0.000 0.840 505 Q CB -0.342 28.255 28.738 -0.236 0.000 0.898 505 Q HN 0.519 nan 8.270 nan 0.000 0.424 506 Y N 0.061 120.367 120.300 0.010 0.000 2.200 506 Y HA -0.201 4.354 4.550 0.008 0.000 0.290 506 Y C 2.372 178.277 175.900 0.009 0.000 1.137 506 Y CA 1.030 59.135 58.100 0.009 0.000 1.163 506 Y CB -0.689 37.776 38.460 0.009 0.000 0.988 506 Y HN 0.146 nan 8.280 nan 0.000 0.518 507 A N 0.093 123.007 122.820 0.157 0.000 1.883 507 A HA -0.193 4.071 4.320 -0.092 0.000 0.217 507 A C 2.467 180.087 177.584 0.061 0.000 1.186 507 A CA 2.162 54.254 52.037 0.092 0.000 0.624 507 A CB -1.311 17.729 19.000 0.067 0.000 0.822 507 A HN 0.407 nan 8.150 nan 0.000 0.444 508 A N -0.896 121.948 122.820 0.040 0.000 1.930 508 A HA -0.070 4.195 4.320 -0.092 0.000 0.217 508 A C 2.462 180.058 177.584 0.020 0.000 1.175 508 A CA 2.133 54.182 52.037 0.020 0.000 0.627 508 A CB -0.958 18.043 19.000 0.002 0.000 0.815 508 A HN 0.626 nan 8.150 nan 0.000 0.443 509 S N -0.719 114.995 115.700 0.023 0.000 2.351 509 S HA -0.165 4.250 4.470 -0.092 0.000 0.220 509 S C 1.986 176.614 174.600 0.046 0.000 1.035 509 S CA 1.945 60.161 58.200 0.028 0.000 1.031 509 S CB -0.661 62.561 63.200 0.037 0.000 0.928 509 S HN 0.574 nan 8.310 nan 0.000 0.433 510 V N 1.669 121.623 119.914 0.068 0.000 2.427 510 V HA 0.030 4.094 4.120 -0.092 0.000 0.248 510 V C 2.622 178.740 176.094 0.040 0.000 1.051 510 V CA 1.981 64.314 62.300 0.056 0.000 1.048 510 V CB -1.075 30.785 31.823 0.062 0.000 0.666 510 V HN 0.614 nan 8.190 nan 0.000 0.456 511 A N 0.055 122.898 122.820 0.038 0.000 1.902 511 A HA -0.030 4.234 4.320 -0.092 0.000 0.217 511 A C 2.365 179.964 177.584 0.024 0.000 1.181 511 A CA 1.863 53.917 52.037 0.029 0.000 0.623 511 A CB -1.401 17.615 19.000 0.027 0.000 0.818 511 A HN 0.636 nan 8.150 nan 0.000 0.443 512 G N -0.186 108.627 108.800 0.022 0.000 2.418 512 G HA2 -0.167 3.737 3.960 -0.092 0.000 0.217 512 G HA3 -0.167 3.737 3.960 -0.092 0.000 0.217 512 G C 1.557 176.469 174.900 0.019 0.000 1.158 512 G CA 1.032 46.143 45.100 0.018 0.000 0.771 512 G HN 0.428 nan 8.290 nan 0.000 0.545 513 L N -0.338 120.899 121.223 0.023 0.000 2.046 513 L HA -0.037 4.247 4.340 -0.092 0.000 0.208 513 L C 3.103 179.987 176.870 0.024 0.000 1.077 513 L CA 0.974 55.828 54.840 0.024 0.000 0.747 513 L CB -0.301 41.775 42.059 0.028 0.000 0.896 513 L HN 0.242 nan 8.230 nan 0.000 0.432 514 M N -0.617 118.998 119.600 0.025 0.000 2.099 514 M HA -0.203 4.222 4.480 -0.092 0.000 0.262 514 M C 2.328 178.640 176.300 0.022 0.000 1.067 514 M CA 1.807 57.122 55.300 0.024 0.000 1.124 514 M CB -0.295 32.320 32.600 0.025 0.000 1.353 514 M HN 0.170 nan 8.290 nan 0.000 0.410 515 I N 0.095 120.677 120.570 0.020 0.000 2.335 515 I HA -0.264 3.851 4.170 -0.092 0.000 0.251 515 I C 1.843 177.971 176.117 0.019 0.000 1.129 515 I CA 1.598 62.908 61.300 0.018 0.000 1.402 515 I CB -0.456 37.553 38.000 0.016 0.000 1.069 515 I HN 0.406 nan 8.210 nan 0.000 0.424 516 T N -3.230 111.336 114.554 0.020 0.000 3.244 516 T HA 0.147 4.441 4.350 -0.092 0.000 0.254 516 T C 0.530 175.244 174.700 0.024 0.000 1.024 516 T CA -0.289 61.823 62.100 0.021 0.000 0.920 516 T CB -0.514 68.366 68.868 0.019 0.000 1.042 516 T HN -0.021 nan 8.240 nan 0.000 0.572 517 T N 2.322 116.890 114.554 0.024 0.000 2.806 517 T HA 0.314 4.609 4.350 -0.092 0.000 0.290 517 T C 0.589 175.306 174.700 0.029 0.000 0.966 517 T CA -0.548 61.567 62.100 0.024 0.000 1.060 517 T CB 1.609 70.490 68.868 0.022 0.000 0.927 517 T HN 0.113 nan 8.240 nan 0.000 0.485 518 E N 0.459 120.682 120.200 0.038 0.000 2.485 518 E HA 0.181 4.475 4.350 -0.092 0.000 0.213 518 E C 0.005 176.641 176.600 0.060 0.000 0.923 518 E CA 0.087 56.526 56.400 0.065 0.000 1.054 518 E CB 0.816 30.570 29.700 0.091 0.000 1.077 518 E HN 0.564 nan 8.360 nan 0.000 0.509 519 C N 0.585 119.879 119.300 -0.010 0.000 2.880 519 C HA 0.680 5.084 4.460 -0.092 0.000 0.320 519 C C -1.379 173.542 174.990 -0.114 0.000 1.176 519 C CA -0.548 58.378 59.018 -0.154 0.000 1.390 519 C CB 0.632 28.285 27.740 -0.145 0.000 1.846 519 C HN 0.129 nan 8.230 nan 0.000 0.478 520 M N 4.907 124.419 119.600 -0.147 0.000 2.326 520 M HA 0.575 5.000 4.480 -0.092 0.000 0.292 520 M C -1.234 175.108 176.300 0.070 0.000 1.081 520 M CA -0.544 54.774 55.300 0.029 0.000 0.919 520 M CB 2.145 34.869 32.600 0.208 0.000 1.634 520 M HN 0.365 nan 8.290 nan 0.000 0.451 521 V N 1.244 121.174 119.914 0.028 0.000 2.487 521 V HA 0.777 4.842 4.120 -0.092 0.000 0.298 521 V C -0.294 175.751 176.094 -0.082 0.000 1.028 521 V CA -0.422 61.875 62.300 -0.004 0.000 0.860 521 V CB 1.823 33.631 31.823 -0.025 0.000 0.991 521 V HN 0.963 nan 8.190 nan 0.000 0.427 522 T N 2.224 116.683 114.554 -0.158 0.000 2.754 522 T HA 0.457 4.752 4.350 -0.092 0.000 0.296 522 T C -1.203 173.391 174.700 -0.177 0.000 1.205 522 T CA -0.479 61.470 62.100 -0.252 0.000 1.009 522 T CB 1.949 70.501 68.868 -0.526 0.000 1.368 522 T HN 0.696 nan 8.240 nan 0.000 0.509 523 D N 0.990 121.293 120.400 -0.161 0.000 2.358 523 D HA 0.450 5.034 4.640 -0.092 0.000 0.244 523 D C -0.294 175.950 176.300 -0.093 0.000 1.163 523 D CA -0.366 53.575 54.000 -0.098 0.000 0.945 523 D CB 0.376 41.129 40.800 -0.077 0.000 1.152 523 D HN 0.134 nan 8.370 nan 0.000 0.451 524 L N 1.961 123.158 121.223 -0.043 0.000 2.426 524 L HA 0.306 4.591 4.340 -0.092 0.000 0.271 524 L C -1.590 175.266 176.870 -0.023 0.000 1.169 524 L CA -1.355 53.474 54.840 -0.018 0.000 0.836 524 L CB -0.649 41.412 42.059 0.002 0.000 1.112 524 L HN 0.404 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 525 P CB 0.000 31.706 31.700 0.010 0.000 0.726