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 2c7c_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.583 177.584 -0.002 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 2.552 125.374 122.820 0.004 0.000 2.407 3 A HA 0.622 4.944 4.320 0.003 0.000 0.248 3 A C 0.204 177.798 177.584 0.017 0.000 1.082 3 A CA 0.061 52.105 52.037 0.012 0.000 0.785 3 A CB 0.206 19.216 19.000 0.016 0.000 1.020 3 A HN 0.620 nan 8.150 nan 0.000 0.489 4 K N 1.206 121.622 120.400 0.028 0.000 2.156 4 K HA 0.391 4.713 4.320 0.003 0.000 0.250 4 K C -0.926 175.721 176.600 0.078 0.000 0.955 4 K CA -0.632 55.678 56.287 0.040 0.000 0.855 4 K CB 1.684 34.205 32.500 0.034 0.000 1.101 4 K HN 0.801 nan 8.250 nan 0.000 0.434 5 D N 0.794 121.271 120.400 0.128 0.000 2.277 5 D HA 0.476 5.118 4.640 0.003 0.000 0.250 5 D C -1.171 175.312 176.300 0.305 0.000 1.032 5 D CA -0.580 53.556 54.000 0.226 0.000 0.947 5 D CB 1.349 42.355 40.800 0.343 0.000 1.159 5 D HN 0.233 nan 8.370 nan 0.000 0.460 6 V N -0.958 119.118 119.914 0.271 0.000 2.851 6 V HA 0.695 4.817 4.120 0.003 0.000 0.307 6 V C -1.116 175.050 176.094 0.120 0.000 1.129 6 V CA -0.855 61.566 62.300 0.202 0.000 0.932 6 V CB 1.742 33.630 31.823 0.108 0.000 1.024 6 V HN 0.500 nan 8.190 nan 0.000 0.426 7 K N 3.740 124.165 120.400 0.042 0.000 2.498 7 K HA 0.747 5.069 4.320 0.003 0.000 0.254 7 K C -1.870 174.689 176.600 -0.067 0.000 0.933 7 K CA -0.393 55.882 56.287 -0.020 0.000 0.806 7 K CB 2.796 35.090 32.500 -0.343 0.000 1.301 7 K HN 0.607 nan 8.250 nan 0.000 0.432 8 F N 0.262 120.206 119.950 -0.010 0.000 2.556 8 F HA 0.514 5.042 4.527 0.002 0.000 0.327 8 F C 1.358 177.157 175.800 -0.001 0.000 1.059 8 F CA 0.420 58.425 58.000 0.008 0.000 0.953 8 F CB 1.689 40.691 39.000 0.003 0.000 1.227 8 F HN 0.832 nan 8.300 nan 0.000 0.478 9 G N 1.931 110.852 108.800 0.201 0.000 2.622 9 G HA2 -0.504 3.458 3.960 0.003 0.000 0.307 9 G HA3 -0.504 3.458 3.960 0.003 0.000 0.307 9 G C 1.050 175.995 174.900 0.074 0.000 1.226 9 G CA 1.074 46.249 45.100 0.126 0.000 0.997 9 G HN 0.858 nan 8.290 nan 0.000 0.551 10 N N 0.614 119.346 118.700 0.054 0.000 2.018 10 N HA -0.116 4.625 4.740 0.003 0.000 0.196 10 N C 1.789 177.313 175.510 0.023 0.000 1.043 10 N CA 2.643 55.712 53.050 0.032 0.000 0.856 10 N CB -0.280 38.219 38.487 0.021 0.000 1.042 10 N HN 0.524 nan 8.380 nan 0.000 0.423 11 D N -0.227 120.183 120.400 0.016 0.000 2.178 11 D HA -0.061 4.581 4.640 0.003 0.000 0.202 11 D C 1.834 178.115 176.300 -0.032 0.000 0.974 11 D CA 1.118 55.107 54.000 -0.018 0.000 0.841 11 D CB -0.609 40.168 40.800 -0.038 0.000 0.953 11 D HN 0.474 nan 8.370 nan 0.000 0.478 12 A N 1.326 124.146 122.820 0.001 0.000 1.845 12 A HA -0.194 4.127 4.320 0.003 0.000 0.215 12 A C 2.208 179.826 177.584 0.057 0.000 1.195 12 A CA 1.380 53.439 52.037 0.037 0.000 0.616 12 A CB -0.523 18.509 19.000 0.052 0.000 0.832 12 A HN 0.095 nan 8.150 nan 0.000 0.443 13 R N -0.779 119.748 120.500 0.045 0.000 2.096 13 R HA -0.081 4.261 4.340 0.003 0.000 0.235 13 R C 2.047 178.368 176.300 0.035 0.000 1.127 13 R CA 1.380 57.505 56.100 0.040 0.000 0.968 13 R CB -0.562 29.759 30.300 0.034 0.000 0.861 13 R HN 0.402 nan 8.270 nan 0.000 0.440 14 V N 1.422 121.352 119.914 0.026 0.000 2.295 14 V HA -0.250 3.871 4.120 0.003 0.000 0.246 14 V C 2.346 178.457 176.094 0.028 0.000 1.049 14 V CA 1.619 63.931 62.300 0.020 0.000 1.024 14 V CB -0.349 31.480 31.823 0.009 0.000 0.648 14 V HN 0.226 nan 8.190 nan 0.000 0.447 15 K N -0.571 119.850 120.400 0.035 0.000 2.026 15 K HA -0.142 4.179 4.320 0.003 0.000 0.208 15 K C 2.161 178.811 176.600 0.083 0.000 1.048 15 K CA 1.813 58.139 56.287 0.065 0.000 0.929 15 K CB -0.524 32.030 32.500 0.089 0.000 0.713 15 K HN 0.423 nan 8.250 nan 0.000 0.439 16 M N 0.679 120.332 119.600 0.087 0.000 2.106 16 M HA -0.227 4.255 4.480 0.003 0.000 0.259 16 M C 2.114 178.440 176.300 0.044 0.000 1.068 16 M CA 1.380 56.720 55.300 0.067 0.000 1.100 16 M CB -0.128 32.508 32.600 0.060 0.000 1.351 16 M HN 0.065 nan 8.290 nan 0.000 0.404 17 L N 0.470 121.716 121.223 0.038 0.000 2.017 17 L HA -0.189 4.153 4.340 0.003 0.000 0.208 17 L C 2.299 179.185 176.870 0.027 0.000 1.073 17 L CA 1.913 56.770 54.840 0.028 0.000 0.745 17 L CB -0.658 41.416 42.059 0.024 0.000 0.894 17 L HN 0.249 nan 8.230 nan 0.000 0.432 18 R N -0.699 119.819 120.500 0.030 0.000 2.091 18 R HA -0.133 4.209 4.340 0.003 0.000 0.238 18 R C 2.201 178.518 176.300 0.029 0.000 1.136 18 R CA 1.221 57.338 56.100 0.028 0.000 0.959 18 R CB -1.017 29.301 30.300 0.030 0.000 0.856 18 R HN 0.591 nan 8.270 nan 0.000 0.437 19 G N 0.399 109.220 108.800 0.035 0.000 2.418 19 G HA2 -0.216 3.746 3.960 0.003 0.000 0.217 19 G HA3 -0.216 3.746 3.960 0.003 0.000 0.217 19 G C 1.460 176.372 174.900 0.020 0.000 1.158 19 G CA 0.711 45.829 45.100 0.029 0.000 0.771 19 G HN 0.140 nan 8.290 nan 0.000 0.545 20 V N 1.272 121.198 119.914 0.020 0.000 2.407 20 V HA -0.227 3.895 4.120 0.003 0.000 0.248 20 V C 2.553 178.657 176.094 0.015 0.000 1.055 20 V CA 2.161 64.471 62.300 0.016 0.000 1.049 20 V CB -0.751 31.083 31.823 0.018 0.000 0.662 20 V HN 0.425 nan 8.190 nan 0.000 0.455 21 N N -0.078 118.632 118.700 0.017 0.000 2.058 21 N HA -0.167 4.575 4.740 0.003 0.000 0.191 21 N C 1.764 177.282 175.510 0.013 0.000 1.037 21 N CA 1.570 54.629 53.050 0.015 0.000 0.848 21 N CB -0.359 38.137 38.487 0.015 0.000 1.021 21 N HN 0.256 nan 8.380 nan 0.000 0.422 22 V N 1.520 121.442 119.914 0.014 0.000 2.324 22 V HA -0.205 3.917 4.120 0.003 0.000 0.250 22 V C 2.136 178.236 176.094 0.010 0.000 1.060 22 V CA 1.304 63.611 62.300 0.013 0.000 1.042 22 V CB -0.531 31.300 31.823 0.015 0.000 0.650 22 V HN 0.392 nan 8.190 nan 0.000 0.450 23 L N 0.237 121.466 121.223 0.009 0.000 1.993 23 L HA -0.011 4.330 4.340 0.003 0.000 0.206 23 L C 2.478 179.352 176.870 0.008 0.000 1.074 23 L CA 2.683 57.527 54.840 0.007 0.000 0.746 23 L CB -1.291 40.772 42.059 0.005 0.000 0.896 23 L HN 0.319 nan 8.230 nan 0.000 0.435 24 A N -0.601 122.225 122.820 0.010 0.000 1.968 24 A HA -0.154 4.168 4.320 0.003 0.000 0.217 24 A C 1.733 179.324 177.584 0.011 0.000 1.169 24 A CA 1.414 53.457 52.037 0.011 0.000 0.638 24 A CB -0.436 18.571 19.000 0.013 0.000 0.812 24 A HN 0.545 nan 8.150 nan 0.000 0.446 25 D N 0.086 120.492 120.400 0.010 0.000 2.277 25 D HA 0.117 4.758 4.640 0.003 0.000 0.208 25 D C 2.059 178.364 176.300 0.008 0.000 0.962 25 D CA 1.070 55.076 54.000 0.010 0.000 0.865 25 D CB -0.216 40.590 40.800 0.010 0.000 0.939 25 D HN 0.419 nan 8.370 nan 0.000 0.510 26 A N 0.712 123.537 122.820 0.008 0.000 1.841 26 A HA -0.112 4.210 4.320 0.003 0.000 0.214 26 A C 2.432 180.020 177.584 0.007 0.000 1.195 26 A CA 0.979 53.020 52.037 0.006 0.000 0.611 26 A CB -0.856 18.147 19.000 0.006 0.000 0.835 26 A HN 0.111 nan 8.150 nan 0.000 0.443 27 V N 0.371 120.290 119.914 0.007 0.000 2.453 27 V HA -0.312 3.810 4.120 0.003 0.000 0.252 27 V C 2.403 178.502 176.094 0.009 0.000 1.068 27 V CA 2.423 64.728 62.300 0.008 0.000 1.070 27 V CB -0.757 31.071 31.823 0.008 0.000 0.664 27 V HN 0.548 nan 8.190 nan 0.000 0.461 28 K N 0.093 120.499 120.400 0.010 0.000 2.209 28 K HA -0.111 4.211 4.320 0.003 0.000 0.204 28 K C 1.804 178.410 176.600 0.009 0.000 1.048 28 K CA 1.454 57.747 56.287 0.010 0.000 0.940 28 K CB -0.261 32.245 32.500 0.011 0.000 0.729 28 K HN 0.609 nan 8.250 nan 0.000 0.451 29 V N -0.940 118.979 119.914 0.008 0.000 3.444 29 V HA -0.051 4.071 4.120 0.003 0.000 0.271 29 V C 1.375 177.472 176.094 0.006 0.000 1.188 29 V CA 1.663 63.967 62.300 0.006 0.000 1.168 29 V CB -0.805 31.021 31.823 0.005 0.000 0.810 29 V HN 0.320 nan 8.190 nan 0.000 0.500 30 T N -3.110 111.447 114.554 0.007 0.000 3.040 30 T HA 0.368 4.719 4.350 0.003 0.000 0.266 30 T C 0.279 174.983 174.700 0.006 0.000 1.005 30 T CA -0.167 61.936 62.100 0.006 0.000 0.906 30 T CB 0.226 69.098 68.868 0.006 0.000 1.082 30 T HN 0.336 nan 8.240 nan 0.000 0.531 31 L N 2.629 123.856 121.223 0.008 0.000 2.395 31 L HA 0.641 4.982 4.340 0.003 0.000 0.269 31 L C 0.922 177.796 176.870 0.007 0.000 1.133 31 L CA 1.627 56.472 54.840 0.009 0.000 0.812 31 L CB 0.089 42.155 42.059 0.012 0.000 1.125 31 L HN 0.680 nan 8.230 nan 0.000 0.452 32 G N 4.275 113.077 108.800 0.004 0.000 2.693 32 G HA2 -0.193 3.769 3.960 0.003 0.000 0.226 32 G HA3 -0.193 3.769 3.960 0.003 0.000 0.226 32 G C -2.159 172.737 174.900 -0.007 0.000 1.354 32 G CA -0.145 44.955 45.100 -0.001 0.000 0.873 32 G HN 0.618 nan 8.290 nan 0.000 0.562 33 P HA 0.097 nan 4.420 nan 0.000 0.224 33 P C 1.172 178.462 177.300 -0.016 0.000 1.157 33 P CA 1.381 64.468 63.100 -0.021 0.000 0.799 33 P CB 0.108 31.786 31.700 -0.037 0.000 0.809 34 K N -0.385 120.008 120.400 -0.011 0.000 2.354 34 K HA 0.212 4.534 4.320 0.003 0.000 0.194 34 K C 1.352 177.951 176.600 -0.002 0.000 1.038 34 K CA -0.101 56.182 56.287 -0.006 0.000 1.052 34 K CB 0.114 32.612 32.500 -0.003 0.000 0.861 34 K HN 0.058 nan 8.250 nan 0.000 0.535 35 G N 1.472 110.272 108.800 0.000 0.000 2.554 35 G HA2 0.041 4.003 3.960 0.003 0.000 0.238 35 G HA3 0.041 4.003 3.960 0.003 0.000 0.238 35 G C -0.100 174.800 174.900 0.001 0.000 1.259 35 G CA -0.256 44.845 45.100 0.002 0.000 0.843 35 G HN 0.143 nan 8.290 nan 0.000 0.582 36 R N 0.291 120.792 120.500 0.002 0.000 2.601 36 R HA 0.380 4.722 4.340 0.003 0.000 0.220 36 R C -0.445 175.856 176.300 0.001 0.000 1.329 36 R CA -0.856 55.244 56.100 0.001 0.000 1.043 36 R CB 0.487 30.787 30.300 0.001 0.000 1.807 36 R HN 0.489 nan 8.270 nan 0.000 0.537 37 N N -0.804 117.896 118.700 0.000 0.000 2.380 37 N HA 0.429 5.171 4.740 0.003 0.000 0.290 37 N C -1.381 174.130 175.510 0.000 0.000 1.236 37 N CA -0.630 52.420 53.050 0.001 0.000 0.780 37 N CB 2.046 40.533 38.487 -0.000 0.000 1.438 37 N HN 0.107 nan 8.380 nan 0.000 0.491 38 V N 0.668 120.582 119.914 0.001 0.000 2.628 38 V HA 0.473 4.595 4.120 0.003 0.000 0.306 38 V C -0.279 175.814 176.094 -0.002 0.000 1.045 38 V CA -0.835 61.465 62.300 -0.000 0.000 0.905 38 V CB 1.996 33.819 31.823 0.001 0.000 0.997 38 V HN 0.324 nan 8.190 nan 0.000 0.436 39 V N 5.802 125.713 119.914 -0.004 0.000 2.370 39 V HA 0.447 4.569 4.120 0.003 0.000 0.279 39 V C -0.157 175.933 176.094 -0.006 0.000 1.029 39 V CA -0.404 61.892 62.300 -0.006 0.000 0.870 39 V CB 1.246 33.063 31.823 -0.011 0.000 0.984 39 V HN 0.596 nan 8.190 nan 0.000 0.451 40 L N 4.156 125.377 121.223 -0.003 0.000 2.307 40 L HA 0.621 4.963 4.340 0.003 0.000 0.284 40 L C -0.534 176.335 176.870 -0.002 0.000 1.023 40 L CA -0.356 54.484 54.840 -0.000 0.000 0.810 40 L CB 1.723 43.785 42.059 0.005 0.000 1.231 40 L HN 0.582 nan 8.230 nan 0.000 0.423 41 D N 2.126 122.523 120.400 -0.004 0.000 2.350 41 D HA 0.367 5.009 4.640 0.003 0.000 0.245 41 D C -0.628 175.676 176.300 0.007 0.000 1.036 41 D CA -0.483 53.506 54.000 -0.018 0.000 0.848 41 D CB 1.525 42.293 40.800 -0.053 0.000 1.307 41 D HN 0.360 nan 8.370 nan 0.000 0.469 42 K N 1.532 121.938 120.400 0.010 0.000 3.309 42 K HA 0.127 4.449 4.320 0.003 0.000 0.187 42 K C 0.583 177.189 176.600 0.010 0.000 1.085 42 K CA -0.113 56.229 56.287 0.092 0.000 0.867 42 K CB 0.698 33.284 32.500 0.144 0.000 0.846 42 K HN 0.380 nan 8.250 nan 0.000 0.522 43 S N -0.196 115.374 115.700 -0.216 0.000 2.584 43 S HA -0.127 4.344 4.470 0.003 0.000 0.240 43 S C 1.474 175.929 174.600 -0.240 0.000 0.975 43 S CA 0.581 58.644 58.200 -0.230 0.000 0.949 43 S CB -0.694 62.355 63.200 -0.252 0.000 0.761 43 S HN 0.313 nan 8.310 nan 0.000 0.536 44 F N 2.372 122.321 119.950 -0.002 0.000 2.192 44 F HA 0.092 4.620 4.527 0.001 0.000 0.301 44 F C 2.422 178.221 175.800 -0.002 0.000 1.079 44 F CA 0.860 58.859 58.000 -0.002 0.000 1.303 44 F CB -1.050 37.948 39.000 -0.003 0.000 1.024 44 F HN 0.424 nan 8.300 nan 0.000 0.494 45 G N -1.380 107.520 108.800 0.167 0.000 2.805 45 G HA2 0.582 4.544 3.960 0.003 0.000 0.214 45 G HA3 0.582 4.544 3.960 0.003 0.000 0.214 45 G C -0.166 174.756 174.900 0.036 0.000 1.220 45 G CA 0.576 45.728 45.100 0.086 0.000 0.854 45 G HN 0.516 nan 8.290 nan 0.000 0.623 46 A N -1.070 121.764 122.820 0.023 0.000 2.567 46 A HA 0.719 5.041 4.320 0.003 0.000 0.291 46 A C -3.179 174.401 177.584 -0.007 0.000 1.048 46 A CA -0.785 51.251 52.037 -0.002 0.000 0.661 46 A CB 0.763 19.766 19.000 0.005 0.000 1.288 46 A HN 0.151 nan 8.150 nan 0.000 0.424 47 P HA 0.738 nan 4.420 nan 0.000 0.284 47 P C -0.552 176.746 177.300 -0.004 0.000 1.292 47 P CA -0.192 62.899 63.100 -0.015 0.000 0.800 47 P CB 1.071 32.756 31.700 -0.025 0.000 1.188 48 T N -0.136 114.417 114.554 -0.002 0.000 2.956 48 T HA 0.530 4.882 4.350 0.003 0.000 0.312 48 T C -0.504 174.196 174.700 -0.000 0.000 1.151 48 T CA -0.213 61.888 62.100 0.001 0.000 1.024 48 T CB 0.547 69.419 68.868 0.007 0.000 1.140 48 T HN 0.068 nan 8.240 nan 0.000 0.473 49 I N 1.988 122.559 120.570 0.000 0.000 2.428 49 I HA 0.686 4.858 4.170 0.003 0.000 0.296 49 I C 0.631 176.750 176.117 0.002 0.000 0.985 49 I CA -0.140 61.160 61.300 -0.000 0.000 1.260 49 I CB 1.778 39.777 38.000 -0.001 0.000 1.389 49 I HN 0.539 nan 8.210 nan 0.000 0.484 50 T N 3.409 117.965 114.554 0.003 0.000 2.868 50 T HA 0.393 4.744 4.350 0.003 0.000 0.306 50 T C 0.029 174.731 174.700 0.005 0.000 1.224 50 T CA -0.589 61.514 62.100 0.005 0.000 1.012 50 T CB 1.448 70.320 68.868 0.007 0.000 1.221 50 T HN 0.730 nan 8.240 nan 0.000 0.499 51 K N 0.775 121.179 120.400 0.006 0.000 2.402 51 K HA 0.210 4.532 4.320 0.003 0.000 0.203 51 K C 0.035 176.640 176.600 0.008 0.000 1.077 51 K CA -0.215 56.076 56.287 0.006 0.000 1.051 51 K CB 0.428 32.931 32.500 0.006 0.000 0.907 51 K HN 0.632 nan 8.250 nan 0.000 0.554 52 D N -0.904 119.502 120.400 0.010 0.000 2.177 52 D HA 0.082 4.724 4.640 0.003 0.000 0.247 52 D C 0.630 176.936 176.300 0.009 0.000 1.063 52 D CA -0.173 53.834 54.000 0.012 0.000 0.867 52 D CB 1.891 42.700 40.800 0.015 0.000 1.168 52 D HN 0.232 nan 8.370 nan 0.000 0.445 53 G N 2.292 111.098 108.800 0.010 0.000 2.484 53 G HA2 -0.142 3.820 3.960 0.003 0.000 0.218 53 G HA3 -0.142 3.820 3.960 0.003 0.000 0.218 53 G C 1.328 176.230 174.900 0.003 0.000 1.130 53 G CA 0.240 45.345 45.100 0.008 0.000 0.784 53 G HN 0.430 nan 8.290 nan 0.000 0.543 54 V N 0.466 120.380 119.914 0.001 0.000 2.649 54 V HA -0.062 4.060 4.120 0.003 0.000 0.248 54 V C 2.886 178.976 176.094 -0.006 0.000 1.054 54 V CA 2.249 64.544 62.300 -0.008 0.000 1.073 54 V CB -0.049 31.764 31.823 -0.016 0.000 0.699 54 V HN 0.347 nan 8.190 nan 0.000 0.463 55 S N 0.056 115.755 115.700 -0.000 0.000 2.348 55 S HA -0.183 4.289 4.470 0.003 0.000 0.221 55 S C 1.914 176.515 174.600 0.002 0.000 1.033 55 S CA 1.719 59.920 58.200 0.002 0.000 1.010 55 S CB -0.376 62.827 63.200 0.006 0.000 0.891 55 S HN 0.450 nan 8.310 nan 0.000 0.442 56 V N 2.156 122.071 119.914 0.003 0.000 2.332 56 V HA -0.222 3.900 4.120 0.003 0.000 0.248 56 V C 2.663 178.758 176.094 0.001 0.000 1.055 56 V CA 1.778 64.079 62.300 0.003 0.000 1.038 56 V CB -1.261 30.564 31.823 0.004 0.000 0.651 56 V HN 0.553 nan 8.190 nan 0.000 0.450 57 A N -0.304 122.515 122.820 -0.002 0.000 1.873 57 A HA -0.198 4.124 4.320 0.003 0.000 0.215 57 A C 2.372 179.951 177.584 -0.007 0.000 1.186 57 A CA 1.655 53.689 52.037 -0.005 0.000 0.616 57 A CB -0.506 18.489 19.000 -0.008 0.000 0.823 57 A HN 0.471 nan 8.150 nan 0.000 0.442 58 R N -0.467 120.028 120.500 -0.009 0.000 2.127 58 R HA -0.102 4.240 4.340 0.003 0.000 0.238 58 R C 1.668 177.964 176.300 -0.007 0.000 1.134 58 R CA 1.322 57.415 56.100 -0.012 0.000 0.975 58 R CB -0.136 30.156 30.300 -0.013 0.000 0.865 58 R HN 0.454 nan 8.270 nan 0.000 0.447 59 E N 0.221 120.421 120.200 -0.001 0.000 2.427 59 E HA -0.024 4.328 4.350 0.003 0.000 0.196 59 E C 0.426 177.029 176.600 0.005 0.000 1.028 59 E CA 0.289 56.692 56.400 0.005 0.000 0.864 59 E CB 0.176 29.882 29.700 0.010 0.000 0.813 59 E HN 0.170 nan 8.360 nan 0.000 0.514 60 I N 1.433 122.003 120.570 0.001 0.000 2.634 60 I HA 0.110 4.281 4.170 0.003 0.000 0.284 60 I C 0.437 176.553 176.117 -0.001 0.000 1.124 60 I CA 0.393 61.694 61.300 0.002 0.000 1.417 60 I CB 0.452 38.452 38.000 0.000 0.000 1.396 60 I HN -0.038 nan 8.210 nan 0.000 0.571 61 E N 5.000 125.201 120.200 0.001 0.000 2.537 61 E HA 0.419 4.771 4.350 0.003 0.000 0.301 61 E C -2.078 174.524 176.600 0.003 0.000 0.990 61 E CA -0.574 55.825 56.400 -0.002 0.000 0.828 61 E CB 1.547 31.247 29.700 -0.001 0.000 1.243 61 E HN 0.257 nan 8.360 nan 0.000 0.414 62 L N 3.168 124.391 121.223 -0.000 0.000 2.354 62 L HA 0.355 4.697 4.340 0.003 0.000 0.264 62 L C 1.179 178.052 176.870 0.005 0.000 1.008 62 L CA -0.246 54.598 54.840 0.007 0.000 0.819 62 L CB 1.499 43.565 42.059 0.013 0.000 1.339 62 L HN 0.863 nan 8.230 nan 0.000 0.420 63 E N 0.418 120.627 120.200 0.014 0.000 2.158 63 E HA -0.133 4.219 4.350 0.003 0.000 0.191 63 E C 0.289 176.908 176.600 0.031 0.000 0.982 63 E CA 0.362 56.773 56.400 0.017 0.000 0.823 63 E CB 0.376 30.089 29.700 0.022 0.000 0.766 63 E HN 0.607 nan 8.360 nan 0.000 0.468 64 D N 1.121 121.549 120.400 0.047 0.000 2.357 64 D HA -0.058 4.584 4.640 0.003 0.000 0.265 64 D C 0.584 176.926 176.300 0.070 0.000 1.334 64 D CA 0.042 54.095 54.000 0.088 0.000 0.984 64 D CB 0.626 41.483 40.800 0.094 0.000 1.077 64 D HN 0.034 nan 8.370 nan 0.000 0.514 65 K N 3.100 123.521 120.400 0.035 0.000 2.103 65 K HA -0.161 4.161 4.320 0.003 0.000 0.207 65 K C 1.727 178.184 176.600 -0.239 0.000 1.048 65 K CA 1.014 57.211 56.287 -0.151 0.000 0.930 65 K CB -0.276 32.045 32.500 -0.298 0.000 0.716 65 K HN 0.487 nan 8.250 nan 0.000 0.444 66 F N 1.558 121.503 119.950 -0.009 0.000 2.367 66 F HA -0.013 4.515 4.527 0.002 0.000 0.298 66 F C 2.217 178.013 175.800 -0.008 0.000 1.094 66 F CA 0.731 58.724 58.000 -0.011 0.000 1.409 66 F CB -0.079 38.916 39.000 -0.009 0.000 1.064 66 F HN 0.088 nan 8.300 nan 0.000 0.528 67 E N -0.006 120.282 120.200 0.146 0.000 2.076 67 E HA -0.171 4.181 4.350 0.003 0.000 0.190 67 E C 1.655 178.272 176.600 0.028 0.000 0.979 67 E CA 0.925 57.370 56.400 0.075 0.000 0.807 67 E CB -0.348 29.392 29.700 0.067 0.000 0.761 67 E HN 0.326 nan 8.360 nan 0.000 0.454 68 N N 1.132 119.834 118.700 0.004 0.000 2.104 68 N HA -0.174 4.568 4.740 0.003 0.000 0.190 68 N C 1.834 177.319 175.510 -0.042 0.000 1.024 68 N CA 1.362 54.398 53.050 -0.024 0.000 0.853 68 N CB -0.024 38.438 38.487 -0.042 0.000 1.008 68 N HN 0.054 nan 8.380 nan 0.000 0.424 69 M N -0.739 118.820 119.600 -0.069 0.000 2.106 69 M HA -0.101 4.381 4.480 0.003 0.000 0.259 69 M C 2.178 178.458 176.300 -0.033 0.000 1.068 69 M CA 1.845 57.101 55.300 -0.074 0.000 1.100 69 M CB -0.631 31.902 32.600 -0.112 0.000 1.351 69 M HN 0.356 nan 8.290 nan 0.000 0.404 70 G N -0.351 108.445 108.800 -0.008 0.000 2.433 70 G HA2 -0.131 3.831 3.960 0.003 0.000 0.216 70 G HA3 -0.131 3.831 3.960 0.003 0.000 0.216 70 G C 1.612 176.511 174.900 -0.002 0.000 1.186 70 G CA 0.945 46.047 45.100 0.004 0.000 0.779 70 G HN 0.548 nan 8.290 nan 0.000 0.543 71 A N -0.069 122.750 122.820 -0.002 0.000 1.908 71 A HA -0.099 4.223 4.320 0.003 0.000 0.218 71 A C 2.405 179.981 177.584 -0.013 0.000 1.181 71 A CA 2.011 54.045 52.037 -0.005 0.000 0.627 71 A CB -0.360 18.638 19.000 -0.003 0.000 0.818 71 A HN 0.331 nan 8.150 nan 0.000 0.445 72 Q N -0.886 118.901 119.800 -0.022 0.000 2.123 72 Q HA -0.052 4.290 4.340 0.003 0.000 0.199 72 Q C 2.206 178.190 176.000 -0.028 0.000 0.966 72 Q CA 1.379 57.165 55.803 -0.028 0.000 0.845 72 Q CB -0.402 28.312 28.738 -0.039 0.000 0.907 72 Q HN 0.773 nan 8.270 nan 0.000 0.439 73 M N 0.279 119.864 119.600 -0.024 0.000 2.086 73 M HA -0.146 4.336 4.480 0.003 0.000 0.261 73 M C 2.209 178.500 176.300 -0.015 0.000 1.067 73 M CA 1.516 56.805 55.300 -0.020 0.000 1.116 73 M CB -0.398 32.194 32.600 -0.014 0.000 1.348 73 M HN 0.137 nan 8.290 nan 0.000 0.407 74 V N -1.952 117.957 119.914 -0.009 0.000 3.078 74 V HA -0.153 3.969 4.120 0.003 0.000 0.265 74 V C 1.899 177.985 176.094 -0.013 0.000 1.122 74 V CA 1.513 63.811 62.300 -0.004 0.000 1.141 74 V CB -1.096 30.729 31.823 0.004 0.000 0.735 74 V HN 0.439 nan 8.190 nan 0.000 0.498 75 K N 0.732 121.120 120.400 -0.021 0.000 2.147 75 K HA -0.230 4.092 4.320 0.003 0.000 0.205 75 K C 2.214 178.787 176.600 -0.046 0.000 1.049 75 K CA 1.832 58.101 56.287 -0.029 0.000 0.936 75 K CB -0.065 32.418 32.500 -0.029 0.000 0.722 75 K HN 0.731 nan 8.250 nan 0.000 0.446 76 E N -0.023 120.147 120.200 -0.051 0.000 2.072 76 E HA -0.146 4.206 4.350 0.003 0.000 0.190 76 E C 1.829 178.362 176.600 -0.110 0.000 0.982 76 E CA 0.899 57.250 56.400 -0.081 0.000 0.803 76 E CB 0.072 29.730 29.700 -0.071 0.000 0.755 76 E HN 0.170 nan 8.360 nan 0.000 0.453 77 V N 0.516 120.395 119.914 -0.058 0.000 2.343 77 V HA -0.200 3.922 4.120 0.003 0.000 0.247 77 V C 2.155 178.226 176.094 -0.038 0.000 1.051 77 V CA 2.140 64.422 62.300 -0.029 0.000 1.036 77 V CB -0.421 31.430 31.823 0.045 0.000 0.654 77 V HN 0.431 nan 8.190 nan 0.000 0.451 78 A N -0.832 121.970 122.820 -0.031 0.000 1.902 78 A HA -0.210 4.112 4.320 0.003 0.000 0.217 78 A C 2.554 180.105 177.584 -0.056 0.000 1.181 78 A CA 2.398 54.420 52.037 -0.026 0.000 0.623 78 A CB -1.099 17.891 19.000 -0.017 0.000 0.818 78 A HN 0.606 nan 8.150 nan 0.000 0.443 79 S N -0.749 114.898 115.700 -0.088 0.000 2.348 79 S HA -0.148 4.324 4.470 0.003 0.000 0.221 79 S C 2.089 176.582 174.600 -0.178 0.000 1.033 79 S CA 1.513 59.646 58.200 -0.113 0.000 1.010 79 S CB -0.245 62.888 63.200 -0.111 0.000 0.891 79 S HN 0.473 nan 8.310 nan 0.000 0.442 80 K N 1.221 121.429 120.400 -0.319 0.000 2.211 80 K HA 0.100 4.421 4.320 0.003 0.000 0.203 80 K C 2.199 178.556 176.600 -0.406 0.000 1.050 80 K CA 0.929 56.848 56.287 -0.614 0.000 0.945 80 K CB -0.686 31.014 32.500 -1.333 0.000 0.732 80 K HN 0.434 nan 8.250 nan 0.000 0.451 81 A N 2.092 124.843 122.820 -0.116 0.000 1.883 81 A HA -0.229 4.093 4.320 0.003 0.000 0.217 81 A C 2.104 179.700 177.584 0.021 0.000 1.186 81 A CA 1.867 53.954 52.037 0.082 0.000 0.624 81 A CB -0.673 18.380 19.000 0.088 0.000 0.822 81 A HN 0.444 nan 8.150 nan 0.000 0.444 82 N N -0.447 118.234 118.700 -0.033 0.000 2.106 82 N HA -0.175 4.566 4.740 0.003 0.000 0.188 82 N C 0.903 176.363 175.510 -0.084 0.000 1.029 82 N CA 1.561 54.581 53.050 -0.050 0.000 0.848 82 N CB -0.236 38.221 38.487 -0.050 0.000 1.007 82 N HN 0.385 nan 8.380 nan 0.000 0.423 83 D N 0.347 120.688 120.400 -0.099 0.000 2.218 83 D HA -0.080 4.562 4.640 0.003 0.000 0.204 83 D C 1.412 177.674 176.300 -0.064 0.000 0.976 83 D CA 0.913 54.853 54.000 -0.099 0.000 0.853 83 D CB -0.032 40.694 40.800 -0.123 0.000 0.939 83 D HN 0.435 nan 8.370 nan 0.000 0.481 84 A N -0.400 122.409 122.820 -0.018 0.000 2.108 84 A HA 0.550 4.872 4.320 0.003 0.000 0.206 84 A C 1.701 179.313 177.584 0.048 0.000 1.212 84 A CA 0.848 52.918 52.037 0.055 0.000 0.843 84 A CB 0.659 19.777 19.000 0.196 0.000 0.902 84 A HN 0.165 nan 8.150 nan 0.000 0.477 85 A N -2.826 120.015 122.820 0.035 0.000 2.733 85 A HA 0.480 4.802 4.320 0.003 0.000 0.232 85 A C 1.639 179.242 177.584 0.032 0.000 1.251 85 A CA 0.988 53.051 52.037 0.044 0.000 1.015 85 A CB -0.392 18.652 19.000 0.074 0.000 1.291 85 A HN 1.829 nan 8.150 nan 0.000 0.595 86 G N -0.081 108.704 108.800 -0.025 0.000 3.078 86 G HA2 -0.327 3.634 3.960 0.003 0.000 0.227 86 G HA3 -0.327 3.634 3.960 0.003 0.000 0.227 86 G C 0.249 175.168 174.900 0.031 0.000 1.306 86 G CA 0.930 46.020 45.100 -0.016 0.000 0.841 86 G HN 0.751 nan 8.290 nan 0.000 0.530 87 D N -1.350 119.080 120.400 0.050 0.000 2.687 87 D HA 0.574 5.216 4.640 0.003 0.000 0.264 87 D C 1.109 177.437 176.300 0.047 0.000 1.091 87 D CA 0.971 55.000 54.000 0.048 0.000 1.123 87 D CB 0.834 41.666 40.800 0.053 0.000 1.407 87 D HN 1.449 nan 8.370 nan 0.000 0.591 88 G N -0.529 108.296 108.800 0.041 0.000 2.143 88 G HA2 -0.315 3.646 3.960 0.003 0.000 0.249 88 G HA3 -0.315 3.646 3.960 0.003 0.000 0.249 88 G C 1.038 175.964 174.900 0.044 0.000 0.981 88 G CA 1.588 46.714 45.100 0.042 0.000 0.665 88 G HN 0.680 nan 8.290 nan 0.000 0.528 89 T N -2.220 112.355 114.554 0.036 0.000 2.622 89 T HA -0.174 4.178 4.350 0.003 0.000 0.266 89 T C 2.227 176.942 174.700 0.026 0.000 1.047 89 T CA 2.641 64.758 62.100 0.028 0.000 1.159 89 T CB -0.914 67.964 68.868 0.016 0.000 0.863 89 T HN 0.379 nan 8.240 nan 0.000 0.422 90 T N 1.970 116.537 114.554 0.022 0.000 2.720 90 T HA -0.123 4.229 4.350 0.003 0.000 0.268 90 T C 2.277 176.991 174.700 0.024 0.000 1.037 90 T CA 1.975 64.087 62.100 0.020 0.000 1.144 90 T CB -1.101 67.777 68.868 0.017 0.000 0.864 90 T HN 0.592 nan 8.240 nan 0.000 0.444 91 T N 2.095 116.665 114.554 0.027 0.000 2.720 91 T HA -0.073 4.279 4.350 0.003 0.000 0.268 91 T C 2.409 177.130 174.700 0.035 0.000 1.037 91 T CA 1.207 63.325 62.100 0.029 0.000 1.144 91 T CB -0.622 68.263 68.868 0.029 0.000 0.864 91 T HN 0.456 nan 8.240 nan 0.000 0.444 92 A N 1.546 124.394 122.820 0.047 0.000 1.883 92 A HA -0.146 4.176 4.320 0.003 0.000 0.217 92 A C 2.594 180.207 177.584 0.047 0.000 1.186 92 A CA 2.166 54.240 52.037 0.062 0.000 0.624 92 A CB -1.339 17.716 19.000 0.091 0.000 0.822 92 A HN 0.487 nan 8.150 nan 0.000 0.444 93 T N -0.449 114.126 114.554 0.035 0.000 2.746 93 T HA -0.102 4.250 4.350 0.003 0.000 0.267 93 T C 1.858 176.572 174.700 0.024 0.000 1.039 93 T CA 1.472 63.587 62.100 0.026 0.000 1.142 93 T CB -0.414 68.465 68.868 0.018 0.000 0.866 93 T HN 0.138 nan 8.240 nan 0.000 0.444 94 V N 1.375 121.303 119.914 0.023 0.000 2.343 94 V HA -0.114 4.007 4.120 0.003 0.000 0.247 94 V C 2.448 178.556 176.094 0.022 0.000 1.051 94 V CA 1.448 63.761 62.300 0.021 0.000 1.036 94 V CB -0.608 31.227 31.823 0.020 0.000 0.654 94 V HN 0.425 nan 8.190 nan 0.000 0.451 95 L N -0.206 121.032 121.223 0.025 0.000 2.027 95 L HA -0.129 4.213 4.340 0.003 0.000 0.206 95 L C 2.745 179.631 176.870 0.025 0.000 1.074 95 L CA 1.580 56.435 54.840 0.025 0.000 0.745 95 L CB -0.828 41.247 42.059 0.027 0.000 0.898 95 L HN 0.343 nan 8.230 nan 0.000 0.433 96 A N 0.678 123.516 122.820 0.030 0.000 1.865 96 A HA -0.304 4.018 4.320 0.003 0.000 0.217 96 A C 2.194 179.792 177.584 0.023 0.000 1.191 96 A CA 2.116 54.171 52.037 0.029 0.000 0.623 96 A CB -0.727 18.293 19.000 0.033 0.000 0.826 96 A HN 0.588 nan 8.150 nan 0.000 0.444 97 Q N -0.156 119.657 119.800 0.021 0.000 2.170 97 Q HA 0.115 4.457 4.340 0.003 0.000 0.203 97 Q C 1.790 177.800 176.000 0.017 0.000 0.976 97 Q CA 2.139 57.952 55.803 0.018 0.000 0.858 97 Q CB -0.715 28.033 28.738 0.017 0.000 0.907 97 Q HN 0.483 nan 8.270 nan 0.000 0.433 98 A N 0.932 123.762 122.820 0.017 0.000 1.897 98 A HA -0.002 4.320 4.320 0.003 0.000 0.215 98 A C 2.176 179.770 177.584 0.016 0.000 1.181 98 A CA 1.241 53.287 52.037 0.016 0.000 0.620 98 A CB -0.606 18.404 19.000 0.016 0.000 0.821 98 A HN 0.425 nan 8.150 nan 0.000 0.443 99 I N -0.272 120.308 120.570 0.017 0.000 2.226 99 I HA -0.262 3.910 4.170 0.003 0.000 0.245 99 I C 2.262 178.389 176.117 0.017 0.000 1.100 99 I CA 1.271 62.581 61.300 0.017 0.000 1.374 99 I CB -0.345 37.666 38.000 0.018 0.000 1.057 99 I HN 0.294 nan 8.210 nan 0.000 0.413 100 I N 0.240 120.820 120.570 0.018 0.000 2.179 100 I HA -0.270 3.901 4.170 0.003 0.000 0.242 100 I C 2.577 178.704 176.117 0.017 0.000 1.088 100 I CA 1.588 62.898 61.300 0.018 0.000 1.357 100 I CB -0.598 37.413 38.000 0.018 0.000 1.051 100 I HN 0.209 nan 8.210 nan 0.000 0.409 101 T N 0.161 114.725 114.554 0.016 0.000 2.684 101 T HA -0.162 4.190 4.350 0.003 0.000 0.267 101 T C 1.789 176.497 174.700 0.014 0.000 1.036 101 T CA 1.328 63.437 62.100 0.015 0.000 1.148 101 T CB -0.158 68.719 68.868 0.014 0.000 0.863 101 T HN 0.301 nan 8.240 nan 0.000 0.436 102 E N 0.385 120.593 120.200 0.014 0.000 2.230 102 E HA 0.080 4.432 4.350 0.003 0.000 0.192 102 E C 2.507 179.115 176.600 0.013 0.000 0.987 102 E CA 0.627 57.034 56.400 0.013 0.000 0.841 102 E CB -0.498 29.209 29.700 0.012 0.000 0.783 102 E HN 0.555 nan 8.360 nan 0.000 0.481 103 G N 1.398 110.206 108.800 0.014 0.000 2.394 103 G HA2 -0.170 3.791 3.960 0.003 0.000 0.215 103 G HA3 -0.170 3.791 3.960 0.003 0.000 0.215 103 G C 1.726 176.635 174.900 0.016 0.000 1.165 103 G CA 0.196 45.304 45.100 0.014 0.000 0.784 103 G HN 0.136 nan 8.290 nan 0.000 0.535 104 L N 0.215 121.448 121.223 0.017 0.000 2.083 104 L HA -0.057 4.285 4.340 0.003 0.000 0.209 104 L C 2.810 179.690 176.870 0.017 0.000 1.083 104 L CA 1.327 56.178 54.840 0.018 0.000 0.752 104 L CB -0.326 41.745 42.059 0.020 0.000 0.899 104 L HN 0.222 nan 8.230 nan 0.000 0.433 105 K N 0.580 120.990 120.400 0.015 0.000 2.032 105 K HA -0.218 4.104 4.320 0.003 0.000 0.209 105 K C 2.149 178.757 176.600 0.013 0.000 1.048 105 K CA 1.557 57.852 56.287 0.014 0.000 0.927 105 K CB -0.089 32.418 32.500 0.012 0.000 0.712 105 K HN 0.273 nan 8.250 nan 0.000 0.441 106 A N 0.681 123.509 122.820 0.013 0.000 1.933 106 A HA -0.100 4.222 4.320 0.003 0.000 0.218 106 A C 2.234 179.826 177.584 0.014 0.000 1.175 106 A CA 1.521 53.566 52.037 0.012 0.000 0.628 106 A CB -0.590 18.417 19.000 0.012 0.000 0.814 106 A HN 0.187 nan 8.150 nan 0.000 0.444 107 V N -0.237 119.686 119.914 0.016 0.000 2.392 107 V HA -0.273 3.849 4.120 0.003 0.000 0.249 107 V C 2.962 179.068 176.094 0.019 0.000 1.059 107 V CA 2.039 64.350 62.300 0.018 0.000 1.051 107 V CB -1.059 30.777 31.823 0.020 0.000 0.658 107 V HN 0.619 nan 8.190 nan 0.000 0.455 108 A N -0.425 122.406 122.820 0.018 0.000 2.016 108 A HA 0.156 4.478 4.320 0.003 0.000 0.217 108 A C 2.308 179.901 177.584 0.014 0.000 1.162 108 A CA 1.307 53.355 52.037 0.018 0.000 0.662 108 A CB -0.483 18.527 19.000 0.017 0.000 0.812 108 A HN 0.543 nan 8.150 nan 0.000 0.450 109 A N -1.606 121.221 122.820 0.013 0.000 2.121 109 A HA 0.351 4.672 4.320 0.003 0.000 0.218 109 A C 1.791 179.382 177.584 0.011 0.000 1.154 109 A CA 1.625 53.669 52.037 0.011 0.000 0.679 109 A CB -0.657 18.348 19.000 0.010 0.000 0.795 109 A HN 1.748 nan 8.150 nan 0.000 0.458 110 G N -3.120 105.687 108.800 0.012 0.000 2.205 110 G HA2 -0.137 3.825 3.960 0.003 0.000 0.180 110 G HA3 -0.137 3.825 3.960 0.003 0.000 0.180 110 G C 0.033 174.941 174.900 0.013 0.000 1.004 110 G CA 0.049 45.157 45.100 0.013 0.000 0.670 110 G HN 0.243 nan 8.290 nan 0.000 0.496 111 M N 1.240 120.847 119.600 0.012 0.000 2.250 111 M HA 0.327 4.809 4.480 0.003 0.000 0.325 111 M C 0.750 177.058 176.300 0.013 0.000 1.084 111 M CA -0.485 54.822 55.300 0.012 0.000 1.161 111 M CB 0.189 32.796 32.600 0.011 0.000 1.481 111 M HN 0.255 nan 8.290 nan 0.000 0.449 112 N N 2.580 121.287 118.700 0.012 0.000 2.434 112 N HA 0.076 4.818 4.740 0.003 0.000 0.268 112 N C -2.143 173.375 175.510 0.013 0.000 1.256 112 N CA -1.320 51.738 53.050 0.013 0.000 0.914 112 N CB 0.567 39.060 38.487 0.011 0.000 1.088 112 N HN 0.258 nan 8.380 nan 0.000 0.478 113 P HA -0.106 nan 4.420 nan 0.000 0.220 113 P C 1.180 178.487 177.300 0.013 0.000 1.148 113 P CA 0.916 64.025 63.100 0.015 0.000 0.803 113 P CB 0.150 31.860 31.700 0.016 0.000 0.782 114 M N -0.791 118.816 119.600 0.012 0.000 2.349 114 M HA -0.048 4.434 4.480 0.003 0.000 0.266 114 M C 1.153 177.459 176.300 0.010 0.000 1.076 114 M CA 1.620 56.926 55.300 0.011 0.000 1.126 114 M CB -0.791 31.815 32.600 0.010 0.000 1.392 114 M HN -0.244 nan 8.290 nan 0.000 0.440 115 D N -0.505 119.901 120.400 0.010 0.000 2.249 115 D HA -0.010 4.631 4.640 0.003 0.000 0.205 115 D C 2.010 178.315 176.300 0.009 0.000 0.962 115 D CA 0.880 54.885 54.000 0.008 0.000 0.860 115 D CB -0.046 40.759 40.800 0.008 0.000 0.955 115 D HN 0.356 nan 8.370 nan 0.000 0.505 116 L N 0.927 122.156 121.223 0.010 0.000 2.012 116 L HA -0.197 4.145 4.340 0.003 0.000 0.210 116 L C 2.576 179.452 176.870 0.010 0.000 1.073 116 L CA 1.262 56.108 54.840 0.010 0.000 0.748 116 L CB -0.377 41.689 42.059 0.011 0.000 0.891 116 L HN -0.028 nan 8.230 nan 0.000 0.431 117 K N 0.508 120.915 120.400 0.010 0.000 1.991 117 K HA -0.217 4.105 4.320 0.003 0.000 0.212 117 K C 2.287 178.892 176.600 0.008 0.000 1.049 117 K CA 1.648 57.941 56.287 0.010 0.000 0.932 117 K CB -0.047 32.460 32.500 0.011 0.000 0.717 117 K HN 0.154 nan 8.250 nan 0.000 0.441 118 R N -0.513 119.991 120.500 0.007 0.000 2.127 118 R HA -0.116 4.226 4.340 0.003 0.000 0.238 118 R C 2.375 178.678 176.300 0.005 0.000 1.134 118 R CA 1.323 57.427 56.100 0.006 0.000 0.975 118 R CB -0.406 29.898 30.300 0.006 0.000 0.865 118 R HN 0.410 nan 8.270 nan 0.000 0.447 119 G N 0.733 109.536 108.800 0.005 0.000 2.394 119 G HA2 -0.171 3.790 3.960 0.003 0.000 0.215 119 G HA3 -0.171 3.790 3.960 0.003 0.000 0.215 119 G C 1.410 176.313 174.900 0.005 0.000 1.165 119 G CA 0.361 45.464 45.100 0.005 0.000 0.784 119 G HN 0.135 nan 8.290 nan 0.000 0.535 120 I N 1.260 121.833 120.570 0.006 0.000 2.127 120 I HA -0.171 4.001 4.170 0.003 0.000 0.241 120 I C 2.403 178.521 176.117 0.002 0.000 1.075 120 I CA 1.383 62.686 61.300 0.005 0.000 1.334 120 I CB -0.240 37.765 38.000 0.008 0.000 1.040 120 I HN 0.048 nan 8.210 nan 0.000 0.405 121 D N 0.962 121.363 120.400 0.002 0.000 2.106 121 D HA -0.262 4.380 4.640 0.003 0.000 0.191 121 D C 2.059 178.357 176.300 -0.004 0.000 0.997 121 D CA 1.499 55.498 54.000 -0.002 0.000 0.834 121 D CB -0.374 40.426 40.800 0.000 0.000 0.956 121 D HN 0.302 nan 8.370 nan 0.000 0.448 122 K N 0.533 120.932 120.400 -0.001 0.000 2.057 122 K HA -0.110 4.212 4.320 0.003 0.000 0.207 122 K C 2.058 178.656 176.600 -0.002 0.000 1.049 122 K CA 1.315 57.602 56.287 -0.002 0.000 0.931 122 K CB -0.062 32.438 32.500 0.000 0.000 0.714 122 K HN 0.053 nan 8.250 nan 0.000 0.440 123 A N 0.491 123.310 122.820 -0.001 0.000 1.902 123 A HA -0.100 4.222 4.320 0.003 0.000 0.217 123 A C 2.220 179.802 177.584 -0.004 0.000 1.181 123 A CA 1.486 53.522 52.037 -0.001 0.000 0.623 123 A CB -0.557 18.444 19.000 0.002 0.000 0.818 123 A HN 0.173 nan 8.150 nan 0.000 0.443 124 V N -0.230 119.680 119.914 -0.007 0.000 2.295 124 V HA -0.230 3.892 4.120 0.003 0.000 0.246 124 V C 2.772 178.855 176.094 -0.018 0.000 1.049 124 V CA 2.499 64.791 62.300 -0.014 0.000 1.024 124 V CB -1.217 30.596 31.823 -0.017 0.000 0.648 124 V HN 0.617 nan 8.190 nan 0.000 0.447 125 T N 0.485 115.029 114.554 -0.016 0.000 2.652 125 T HA -0.220 4.132 4.350 0.003 0.000 0.267 125 T C 2.063 176.755 174.700 -0.013 0.000 1.039 125 T CA 1.809 63.900 62.100 -0.016 0.000 1.153 125 T CB -0.515 68.346 68.868 -0.012 0.000 0.863 125 T HN 0.577 nan 8.240 nan 0.000 0.428 126 A N 1.523 124.338 122.820 -0.008 0.000 1.883 126 A HA 0.097 4.419 4.320 0.003 0.000 0.217 126 A C 2.676 180.257 177.584 -0.006 0.000 1.186 126 A CA 2.037 54.071 52.037 -0.005 0.000 0.624 126 A CB -1.237 17.762 19.000 -0.002 0.000 0.822 126 A HN 0.523 nan 8.150 nan 0.000 0.444 127 A N -0.692 122.124 122.820 -0.006 0.000 1.877 127 A HA -0.029 4.293 4.320 0.003 0.000 0.216 127 A C 2.256 179.834 177.584 -0.011 0.000 1.186 127 A CA 1.869 53.903 52.037 -0.006 0.000 0.620 127 A CB -1.027 17.969 19.000 -0.006 0.000 0.822 127 A HN 0.412 nan 8.150 nan 0.000 0.443 128 V N 0.190 120.093 119.914 -0.018 0.000 2.343 128 V HA -0.201 3.920 4.120 0.003 0.000 0.247 128 V C 2.534 178.617 176.094 -0.019 0.000 1.051 128 V CA 2.209 64.494 62.300 -0.026 0.000 1.036 128 V CB -0.606 31.194 31.823 -0.038 0.000 0.654 128 V HN 0.522 nan 8.190 nan 0.000 0.451 129 E N -0.652 119.540 120.200 -0.014 0.000 2.230 129 E HA -0.093 4.259 4.350 0.003 0.000 0.192 129 E C 2.257 178.854 176.600 -0.006 0.000 0.987 129 E CA 0.383 56.777 56.400 -0.010 0.000 0.841 129 E CB -0.131 29.563 29.700 -0.009 0.000 0.783 129 E HN 0.588 nan 8.360 nan 0.000 0.481 130 E N 0.764 120.961 120.200 -0.004 0.000 2.106 130 E HA -0.096 4.256 4.350 0.003 0.000 0.192 130 E C 2.323 178.923 176.600 0.000 0.000 0.984 130 E CA 0.407 56.807 56.400 -0.000 0.000 0.806 130 E CB -0.123 29.579 29.700 0.002 0.000 0.750 130 E HN 0.291 nan 8.360 nan 0.000 0.458 131 L N 0.548 121.769 121.223 -0.003 0.000 2.046 131 L HA -0.189 4.153 4.340 0.003 0.000 0.208 131 L C 2.381 179.249 176.870 -0.003 0.000 1.077 131 L CA 1.114 55.952 54.840 -0.003 0.000 0.747 131 L CB -0.262 41.793 42.059 -0.007 0.000 0.896 131 L HN -0.008 nan 8.230 nan 0.000 0.432 132 K N 0.081 120.477 120.400 -0.006 0.000 2.147 132 K HA -0.122 4.200 4.320 0.003 0.000 0.205 132 K C 2.102 178.701 176.600 -0.002 0.000 1.049 132 K CA 1.366 57.650 56.287 -0.005 0.000 0.936 132 K CB -0.381 32.114 32.500 -0.007 0.000 0.722 132 K HN 0.306 nan 8.250 nan 0.000 0.446 133 A N 0.064 122.883 122.820 -0.000 0.000 1.854 133 A HA -0.088 4.234 4.320 0.003 0.000 0.214 133 A C 1.848 179.434 177.584 0.004 0.000 1.192 133 A CA 1.221 53.259 52.037 0.002 0.000 0.611 133 A CB -0.506 18.495 19.000 0.002 0.000 0.832 133 A HN 0.155 nan 8.150 nan 0.000 0.442 134 L N 0.215 121.441 121.223 0.005 0.000 2.376 134 L HA 0.078 4.420 4.340 0.003 0.000 0.219 134 L C 1.516 178.391 176.870 0.007 0.000 1.133 134 L CA 0.802 55.646 54.840 0.008 0.000 0.816 134 L CB -0.623 41.442 42.059 0.010 0.000 0.933 134 L HN 0.269 nan 8.230 nan 0.000 0.449 135 S N 0.321 116.024 115.700 0.005 0.000 2.509 135 S HA 0.203 4.675 4.470 0.003 0.000 0.287 135 S C 0.057 174.660 174.600 0.005 0.000 1.248 135 S CA -0.683 57.520 58.200 0.005 0.000 1.089 135 S CB -0.013 63.189 63.200 0.002 0.000 0.900 135 S HN 0.121 nan 8.310 nan 0.000 0.496 136 V N 4.912 124.830 119.914 0.006 0.000 2.530 136 V HA 0.519 4.641 4.120 0.003 0.000 0.282 136 V C -2.548 173.549 176.094 0.005 0.000 1.048 136 V CA -2.509 59.794 62.300 0.006 0.000 0.997 136 V CB 0.359 32.185 31.823 0.006 0.000 0.987 136 V HN 0.597 nan 8.190 nan 0.000 0.477 137 P HA 0.132 nan 4.420 nan 0.000 0.266 137 P C -0.047 177.256 177.300 0.005 0.000 1.215 137 P CA -0.107 62.996 63.100 0.005 0.000 0.763 137 P CB 0.233 31.936 31.700 0.004 0.000 0.806 138 C N 4.239 123.543 119.300 0.005 0.000 2.629 138 C HA 0.277 4.739 4.460 0.003 0.000 0.410 138 C C 1.479 176.472 174.990 0.004 0.000 1.339 138 C CA 1.249 60.270 59.018 0.005 0.000 1.810 138 C CB -1.580 26.164 27.740 0.006 0.000 2.549 138 C HN 0.798 nan 8.230 nan 0.000 0.589 139 S N 2.178 117.880 115.700 0.003 0.000 2.501 139 S HA 0.052 4.524 4.470 0.003 0.000 0.250 139 S C -0.269 174.331 174.600 0.001 0.000 0.959 139 S CA -0.105 58.097 58.200 0.002 0.000 1.250 139 S CB -0.562 62.639 63.200 0.002 0.000 0.933 139 S HN 0.849 nan 8.310 nan 0.000 0.420 140 D N 2.932 123.332 120.400 0.001 0.000 2.313 140 D HA 0.298 4.940 4.640 0.003 0.000 0.247 140 D C 1.057 177.357 176.300 -0.001 0.000 1.094 140 D CA 0.379 54.378 54.000 -0.001 0.000 0.925 140 D CB 1.628 42.428 40.800 -0.000 0.000 1.188 140 D HN 0.288 nan 8.370 nan 0.000 0.430 141 S N 1.269 116.968 115.700 -0.003 0.000 2.481 141 S HA -0.175 4.297 4.470 0.003 0.000 0.231 141 S C 1.616 176.213 174.600 -0.005 0.000 0.996 141 S CA 0.474 58.671 58.200 -0.004 0.000 0.942 141 S CB -0.163 63.034 63.200 -0.005 0.000 0.768 141 S HN 0.620 nan 8.310 nan 0.000 0.520 142 K N 1.684 122.082 120.400 -0.004 0.000 2.031 142 K HA 0.094 4.416 4.320 0.003 0.000 0.205 142 K C 2.374 178.971 176.600 -0.005 0.000 1.049 142 K CA 0.961 57.245 56.287 -0.005 0.000 0.939 142 K CB -0.552 31.945 32.500 -0.004 0.000 0.717 142 K HN 0.387 nan 8.250 nan 0.000 0.438 143 A N 1.639 124.457 122.820 -0.003 0.000 1.883 143 A HA -0.169 4.153 4.320 0.003 0.000 0.217 143 A C 2.080 179.663 177.584 -0.002 0.000 1.186 143 A CA 1.584 53.620 52.037 -0.002 0.000 0.624 143 A CB -0.665 18.336 19.000 0.000 0.000 0.822 143 A HN 0.342 nan 8.150 nan 0.000 0.444 144 I N -0.223 120.346 120.570 -0.002 0.000 2.163 144 I HA -0.332 3.840 4.170 0.003 0.000 0.243 144 I C 3.002 179.116 176.117 -0.004 0.000 1.085 144 I CA 1.252 62.551 61.300 -0.002 0.000 1.347 144 I CB -0.448 37.551 38.000 -0.003 0.000 1.044 144 I HN 0.372 nan 8.210 nan 0.000 0.408 145 A N 0.087 122.903 122.820 -0.006 0.000 1.908 145 A HA -0.270 4.052 4.320 0.003 0.000 0.218 145 A C 2.266 179.845 177.584 -0.009 0.000 1.181 145 A CA 1.711 53.743 52.037 -0.008 0.000 0.627 145 A CB -0.657 18.338 19.000 -0.009 0.000 0.818 145 A HN 0.487 nan 8.150 nan 0.000 0.445 146 Q N -0.465 119.330 119.800 -0.008 0.000 2.020 146 Q HA -0.141 4.201 4.340 0.003 0.000 0.202 146 Q C 2.242 178.237 176.000 -0.008 0.000 0.982 146 Q CA 2.235 58.032 55.803 -0.010 0.000 0.838 146 Q CB -0.515 28.217 28.738 -0.010 0.000 0.899 146 Q HN 0.754 nan 8.270 nan 0.000 0.423 147 V N -2.370 117.542 119.914 -0.004 0.000 2.626 147 V HA -0.026 4.096 4.120 0.003 0.000 0.252 147 V C 1.915 178.009 176.094 0.000 0.000 1.067 147 V CA 1.864 64.164 62.300 -0.000 0.000 1.081 147 V CB -1.300 30.526 31.823 0.004 0.000 0.686 147 V HN 0.346 nan 8.190 nan 0.000 0.468 148 G N 0.385 109.183 108.800 -0.002 0.000 2.404 148 G HA2 -0.194 3.767 3.960 0.003 0.000 0.215 148 G HA3 -0.194 3.767 3.960 0.003 0.000 0.215 148 G C 1.564 176.460 174.900 -0.006 0.000 1.174 148 G CA 1.461 46.558 45.100 -0.004 0.000 0.780 148 G HN 0.473 nan 8.290 nan 0.000 0.537 149 T N 1.231 115.780 114.554 -0.009 0.000 2.788 149 T HA -0.077 4.275 4.350 0.003 0.000 0.268 149 T C 2.368 177.061 174.700 -0.011 0.000 1.044 149 T CA 0.917 63.010 62.100 -0.011 0.000 1.139 149 T CB -0.123 68.736 68.868 -0.014 0.000 0.867 149 T HN 0.105 nan 8.240 nan 0.000 0.454 150 I N 0.940 121.504 120.570 -0.010 0.000 2.179 150 I HA -0.119 4.053 4.170 0.003 0.000 0.242 150 I C 2.660 178.775 176.117 -0.003 0.000 1.088 150 I CA 1.160 62.454 61.300 -0.009 0.000 1.357 150 I CB -0.654 37.341 38.000 -0.009 0.000 1.051 150 I HN 0.151 nan 8.210 nan 0.000 0.409 151 S N -0.136 115.565 115.700 0.002 0.000 2.402 151 S HA -0.044 4.428 4.470 0.003 0.000 0.229 151 S C 2.030 176.634 174.600 0.007 0.000 1.021 151 S CA 1.055 59.260 58.200 0.009 0.000 0.974 151 S CB -0.274 62.936 63.200 0.016 0.000 0.800 151 S HN 0.432 nan 8.310 nan 0.000 0.484 152 A N 0.898 123.719 122.820 0.001 0.000 2.238 152 A HA 0.284 4.606 4.320 0.003 0.000 0.208 152 A C 0.818 178.400 177.584 -0.003 0.000 1.177 152 A CA 0.385 52.422 52.037 -0.001 0.000 0.804 152 A CB -0.596 18.401 19.000 -0.005 0.000 0.823 152 A HN 0.745 nan 8.150 nan 0.000 0.482 153 N N -0.678 118.019 118.700 -0.005 0.000 2.929 153 N HA -0.181 4.561 4.740 0.003 0.000 0.246 153 N C -0.319 175.183 175.510 -0.012 0.000 1.111 153 N CA 0.591 53.637 53.050 -0.007 0.000 0.679 153 N CB -1.276 37.209 38.487 -0.004 0.000 1.008 153 N HN 0.374 nan 8.380 nan 0.000 0.559 154 S N -0.407 115.284 115.700 -0.015 0.000 3.808 154 S HA -0.159 4.313 4.470 0.003 0.000 0.312 154 S C -0.679 173.911 174.600 -0.016 0.000 1.134 154 S CA 0.811 58.999 58.200 -0.019 0.000 0.884 154 S CB -0.832 62.354 63.200 -0.024 0.000 0.918 154 S HN 0.648 nan 8.310 nan 0.000 0.523 155 D N 0.981 121.372 120.400 -0.014 0.000 2.373 155 D HA 0.258 4.899 4.640 0.003 0.000 0.227 155 D C 1.110 177.402 176.300 -0.013 0.000 1.091 155 D CA -0.369 53.623 54.000 -0.012 0.000 0.840 155 D CB 0.729 41.522 40.800 -0.010 0.000 1.060 155 D HN 0.462 nan 8.370 nan 0.000 0.502 156 E N 1.296 121.488 120.200 -0.014 0.000 2.072 156 E HA -0.146 4.205 4.350 0.003 0.000 0.191 156 E C 1.756 178.349 176.600 -0.013 0.000 0.985 156 E CA 1.426 57.817 56.400 -0.014 0.000 0.801 156 E CB 0.188 29.879 29.700 -0.014 0.000 0.750 156 E HN 0.594 nan 8.360 nan 0.000 0.452 157 T N 0.042 114.589 114.554 -0.012 0.000 2.737 157 T HA -0.114 4.238 4.350 0.003 0.000 0.265 157 T C 2.226 176.918 174.700 -0.013 0.000 1.038 157 T CA 1.028 63.120 62.100 -0.012 0.000 1.144 157 T CB -0.686 68.175 68.868 -0.012 0.000 0.866 157 T HN -0.049 nan 8.240 nan 0.000 0.434 158 V N 2.048 121.954 119.914 -0.013 0.000 2.343 158 V HA -0.045 4.077 4.120 0.003 0.000 0.247 158 V C 3.009 179.094 176.094 -0.015 0.000 1.051 158 V CA 1.901 64.192 62.300 -0.015 0.000 1.036 158 V CB -1.511 30.304 31.823 -0.014 0.000 0.654 158 V HN 0.686 nan 8.190 nan 0.000 0.451 159 G N -0.112 108.680 108.800 -0.013 0.000 2.414 159 G HA2 -0.308 3.653 3.960 0.003 0.000 0.215 159 G HA3 -0.308 3.653 3.960 0.003 0.000 0.215 159 G C 1.568 176.460 174.900 -0.013 0.000 1.188 159 G CA 1.124 46.217 45.100 -0.012 0.000 0.783 159 G HN 0.455 nan 8.290 nan 0.000 0.537 160 K N 0.078 120.471 120.400 -0.012 0.000 2.044 160 K HA -0.057 4.264 4.320 0.003 0.000 0.210 160 K C 2.340 178.933 176.600 -0.013 0.000 1.049 160 K CA 1.226 57.506 56.287 -0.012 0.000 0.927 160 K CB -0.732 31.761 32.500 -0.012 0.000 0.713 160 K HN 0.260 nan 8.250 nan 0.000 0.443 161 L N 0.401 121.616 121.223 -0.014 0.000 2.005 161 L HA 0.030 4.372 4.340 0.003 0.000 0.207 161 L C 2.139 178.999 176.870 -0.017 0.000 1.072 161 L CA 1.513 56.344 54.840 -0.015 0.000 0.744 161 L CB -0.335 41.714 42.059 -0.016 0.000 0.895 161 L HN 0.269 nan 8.230 nan 0.000 0.433 162 I N -0.671 119.887 120.570 -0.019 0.000 2.226 162 I HA -0.315 3.857 4.170 0.003 0.000 0.245 162 I C 2.563 178.669 176.117 -0.017 0.000 1.100 162 I CA 1.195 62.481 61.300 -0.022 0.000 1.374 162 I CB -0.625 37.359 38.000 -0.026 0.000 1.057 162 I HN 0.338 nan 8.210 nan 0.000 0.413 163 A N 0.422 123.234 122.820 -0.014 0.000 1.902 163 A HA -0.219 4.103 4.320 0.003 0.000 0.217 163 A C 2.209 179.787 177.584 -0.010 0.000 1.181 163 A CA 1.705 53.736 52.037 -0.011 0.000 0.623 163 A CB -0.543 18.452 19.000 -0.009 0.000 0.818 163 A HN 0.459 nan 8.150 nan 0.000 0.443 164 E N -0.425 119.769 120.200 -0.011 0.000 2.285 164 E HA 0.043 4.395 4.350 0.003 0.000 0.194 164 E C 2.235 178.829 176.600 -0.011 0.000 0.997 164 E CA 0.532 56.926 56.400 -0.010 0.000 0.845 164 E CB -0.198 29.496 29.700 -0.010 0.000 0.782 164 E HN 0.620 nan 8.360 nan 0.000 0.491 165 A N 1.472 124.285 122.820 -0.013 0.000 1.877 165 A HA -0.193 4.128 4.320 0.003 0.000 0.216 165 A C 2.180 179.757 177.584 -0.012 0.000 1.186 165 A CA 1.320 53.349 52.037 -0.013 0.000 0.620 165 A CB -0.439 18.551 19.000 -0.017 0.000 0.822 165 A HN 0.128 nan 8.150 nan 0.000 0.443 166 M N -0.756 118.837 119.600 -0.011 0.000 2.213 166 M HA -0.151 4.330 4.480 0.003 0.000 0.263 166 M C 1.925 178.221 176.300 -0.006 0.000 1.062 166 M CA 1.666 56.961 55.300 -0.008 0.000 1.105 166 M CB -0.519 32.077 32.600 -0.007 0.000 1.385 166 M HN 0.499 nan 8.290 nan 0.000 0.417 167 D N 0.693 121.089 120.400 -0.007 0.000 2.104 167 D HA -0.165 4.476 4.640 0.003 0.000 0.194 167 D C 1.757 178.054 176.300 -0.006 0.000 0.994 167 D CA 1.523 55.519 54.000 -0.006 0.000 0.830 167 D CB 0.232 41.028 40.800 -0.006 0.000 0.959 167 D HN 0.188 nan 8.370 nan 0.000 0.452 168 K N 0.182 120.578 120.400 -0.007 0.000 1.991 168 K HA -0.080 4.242 4.320 0.003 0.000 0.207 168 K C 2.088 178.684 176.600 -0.006 0.000 1.045 168 K CA 1.108 57.391 56.287 -0.007 0.000 0.937 168 K CB -0.610 31.885 32.500 -0.008 0.000 0.720 168 K HN 0.176 nan 8.250 nan 0.000 0.438 169 V N -2.370 117.540 119.914 -0.007 0.000 3.041 169 V HA 0.251 4.373 4.120 0.003 0.000 0.260 169 V C 0.898 176.990 176.094 -0.004 0.000 1.105 169 V CA 0.639 62.935 62.300 -0.006 0.000 1.125 169 V CB -1.141 30.678 31.823 -0.007 0.000 0.730 169 V HN 0.378 nan 8.190 nan 0.000 0.479 170 G N 0.702 109.499 108.800 -0.004 0.000 2.796 170 G HA2 -0.234 3.728 3.960 0.003 0.000 0.571 170 G HA3 -0.234 3.728 3.960 0.003 0.000 0.571 170 G C 0.093 174.992 174.900 -0.001 0.000 1.370 170 G CA 0.105 45.203 45.100 -0.002 0.000 0.856 170 G HN 0.428 nan 8.290 nan 0.000 0.538 171 K N 0.236 120.637 120.400 0.001 0.000 2.442 171 K HA -0.015 4.307 4.320 0.003 0.000 0.198 171 K C 1.140 177.742 176.600 0.003 0.000 1.042 171 K CA 1.598 57.887 56.287 0.003 0.000 0.958 171 K CB 0.087 32.589 32.500 0.003 0.000 0.766 171 K HN 0.605 nan 8.250 nan 0.000 0.474 172 E N 0.238 120.439 120.200 0.002 0.000 3.105 172 E HA 0.125 4.477 4.350 0.003 0.000 0.198 172 E C -0.115 176.485 176.600 0.000 0.000 0.976 172 E CA -0.421 55.980 56.400 0.002 0.000 1.219 172 E CB 1.401 31.102 29.700 0.001 0.000 1.081 172 E HN 0.166 nan 8.360 nan 0.000 0.464 173 G N 0.404 109.204 108.800 -0.001 0.000 2.454 173 G HA2 0.448 4.410 3.960 0.003 0.000 0.329 173 G HA3 0.448 4.410 3.960 0.003 0.000 0.329 173 G C -0.495 174.404 174.900 -0.003 0.000 1.177 173 G CA -0.399 44.700 45.100 -0.002 0.000 0.951 173 G HN 0.012 nan 8.290 nan 0.000 0.485 174 V N 1.096 121.008 119.914 -0.003 0.000 2.607 174 V HA 0.460 4.582 4.120 0.003 0.000 0.289 174 V C -0.086 176.002 176.094 -0.010 0.000 1.053 174 V CA -0.148 62.149 62.300 -0.005 0.000 0.996 174 V CB 1.087 32.908 31.823 -0.002 0.000 0.995 174 V HN 0.485 nan 8.190 nan 0.000 0.476 175 I N 4.664 125.226 120.570 -0.014 0.000 2.499 175 I HA 0.416 4.588 4.170 0.003 0.000 0.288 175 I C 0.153 176.253 176.117 -0.028 0.000 1.048 175 I CA -0.373 60.913 61.300 -0.023 0.000 1.062 175 I CB 2.315 40.298 38.000 -0.028 0.000 1.238 175 I HN 0.692 nan 8.210 nan 0.000 0.426 176 T N 2.585 117.123 114.554 -0.026 0.000 2.937 176 T HA 0.750 5.102 4.350 0.003 0.000 0.283 176 T C -0.683 173.995 174.700 -0.036 0.000 1.012 176 T CA -0.837 61.246 62.100 -0.028 0.000 0.997 176 T CB 2.349 71.208 68.868 -0.014 0.000 1.136 176 T HN 0.354 nan 8.240 nan 0.000 0.551 177 V N 1.475 121.368 119.914 -0.036 0.000 2.623 177 V HA 0.754 4.876 4.120 0.003 0.000 0.304 177 V C -1.409 174.674 176.094 -0.018 0.000 1.054 177 V CA -0.355 61.924 62.300 -0.035 0.000 0.882 177 V CB 1.084 32.874 31.823 -0.055 0.000 1.002 177 V HN 1.307 nan 8.190 nan 0.000 0.424 178 E N 3.034 123.226 120.200 -0.014 0.000 2.432 178 E HA 0.393 4.744 4.350 0.003 0.000 0.279 178 E C -1.839 174.756 176.600 -0.008 0.000 1.099 178 E CA -1.062 55.333 56.400 -0.008 0.000 0.859 178 E CB 1.329 31.026 29.700 -0.006 0.000 1.402 178 E HN 0.545 nan 8.360 nan 0.000 0.451 179 D N -0.094 120.302 120.400 -0.005 0.000 2.389 179 D HA 0.490 5.132 4.640 0.003 0.000 0.247 179 D C -0.136 176.159 176.300 -0.008 0.000 1.128 179 D CA 0.465 54.461 54.000 -0.005 0.000 0.884 179 D CB 1.281 42.079 40.800 -0.003 0.000 1.194 179 D HN 0.604 nan 8.370 nan 0.000 0.441 180 G N -0.620 108.175 108.800 -0.008 0.000 2.569 180 G HA2 0.476 4.438 3.960 0.003 0.000 0.300 180 G HA3 0.476 4.438 3.960 0.003 0.000 0.300 180 G C -0.007 174.888 174.900 -0.008 0.000 1.269 180 G CA -0.961 44.133 45.100 -0.009 0.000 0.959 180 G HN 0.432 nan 8.290 nan 0.000 0.478 181 T N -1.601 112.948 114.554 -0.009 0.000 3.341 181 T HA 0.545 4.897 4.350 0.003 0.000 0.234 181 T C 0.680 175.376 174.700 -0.007 0.000 0.890 181 T CA 0.063 62.159 62.100 -0.008 0.000 0.952 181 T CB 0.144 69.007 68.868 -0.008 0.000 1.146 181 T HN 0.868 nan 8.240 nan 0.000 0.591 182 G N -0.248 108.547 108.800 -0.007 0.000 2.680 182 G HA2 0.624 4.586 3.960 0.003 0.000 0.290 182 G HA3 0.624 4.586 3.960 0.003 0.000 0.290 182 G C -0.018 174.878 174.900 -0.007 0.000 1.355 182 G CA -0.998 44.097 45.100 -0.007 0.000 0.903 182 G HN 0.339 nan 8.290 nan 0.000 0.474 183 L N -0.768 120.451 121.223 -0.007 0.000 2.577 183 L HA 0.166 4.508 4.340 0.003 0.000 0.225 183 L C 1.152 178.018 176.870 -0.007 0.000 1.053 183 L CA -0.090 54.746 54.840 -0.006 0.000 0.866 183 L CB 0.012 42.067 42.059 -0.006 0.000 1.132 183 L HN 0.544 nan 8.230 nan 0.000 0.486 184 Q N 0.311 120.107 119.800 -0.008 0.000 2.471 184 Q HA 0.195 4.537 4.340 0.003 0.000 0.223 184 Q C -0.570 175.425 176.000 -0.009 0.000 1.045 184 Q CA -0.094 55.704 55.803 -0.009 0.000 0.956 184 Q CB -0.002 28.731 28.738 -0.009 0.000 1.249 184 Q HN 0.004 nan 8.270 nan 0.000 0.549 185 D N -0.152 120.242 120.400 -0.010 0.000 2.423 185 D HA 0.210 4.852 4.640 0.003 0.000 0.255 185 D C -0.667 175.626 176.300 -0.012 0.000 1.174 185 D CA -0.271 53.722 54.000 -0.012 0.000 1.008 185 D CB 0.816 41.608 40.800 -0.013 0.000 1.101 185 D HN 0.692 nan 8.370 nan 0.000 0.516 186 E N 0.926 121.118 120.200 -0.013 0.000 2.283 186 E HA 0.254 4.606 4.350 0.003 0.000 0.258 186 E C -1.447 175.144 176.600 -0.015 0.000 0.893 186 E CA -0.733 55.659 56.400 -0.013 0.000 0.798 186 E CB 1.141 30.833 29.700 -0.013 0.000 1.242 186 E HN 0.135 nan 8.360 nan 0.000 0.414 187 L N 4.380 125.594 121.223 -0.015 0.000 2.313 187 L HA 0.389 4.731 4.340 0.003 0.000 0.282 187 L C -0.706 176.154 176.870 -0.016 0.000 1.092 187 L CA 0.432 55.262 54.840 -0.016 0.000 0.831 187 L CB 0.958 43.007 42.059 -0.016 0.000 1.159 187 L HN 0.502 nan 8.230 nan 0.000 0.442 188 D N 3.302 123.692 120.400 -0.017 0.000 2.340 188 D HA 0.664 5.306 4.640 0.003 0.000 0.240 188 D C -1.470 174.819 176.300 -0.018 0.000 1.001 188 D CA -0.143 53.846 54.000 -0.018 0.000 0.888 188 D CB 2.355 43.143 40.800 -0.020 0.000 1.310 188 D HN 0.334 nan 8.370 nan 0.000 0.474 189 V N 1.666 121.569 119.914 -0.018 0.000 2.777 189 V HA 0.404 4.526 4.120 0.003 0.000 0.306 189 V C -0.578 175.504 176.094 -0.019 0.000 1.112 189 V CA -0.821 61.469 62.300 -0.017 0.000 0.917 189 V CB 2.110 33.924 31.823 -0.015 0.000 1.018 189 V HN 0.367 nan 8.190 nan 0.000 0.426 190 V N 3.271 123.174 119.914 -0.019 0.000 2.483 190 V HA 0.470 4.591 4.120 0.003 0.000 0.297 190 V C -0.123 175.961 176.094 -0.016 0.000 1.027 190 V CA -0.722 61.565 62.300 -0.022 0.000 0.855 190 V CB 1.889 33.696 31.823 -0.027 0.000 0.995 190 V HN 0.834 nan 8.190 nan 0.000 0.424 191 E N 2.701 122.891 120.200 -0.017 0.000 2.354 191 E HA 0.524 4.876 4.350 0.003 0.000 0.269 191 E C 0.794 177.389 176.600 -0.010 0.000 1.036 191 E CA 1.059 57.452 56.400 -0.012 0.000 0.876 191 E CB 1.555 31.247 29.700 -0.014 0.000 1.009 191 E HN 1.048 nan 8.360 nan 0.000 0.416 192 G N 2.554 111.352 108.800 -0.003 0.000 2.553 192 G HA2 -0.302 3.660 3.960 0.003 0.000 0.242 192 G HA3 -0.302 3.660 3.960 0.003 0.000 0.242 192 G C -0.250 174.660 174.900 0.016 0.000 1.277 192 G CA 0.071 45.174 45.100 0.005 0.000 0.910 192 G HN 0.539 nan 8.290 nan 0.000 0.576 193 M N 1.211 120.833 119.600 0.035 0.000 2.061 193 M HA 0.581 5.063 4.480 0.003 0.000 0.346 193 M C 0.074 176.427 176.300 0.089 0.000 1.112 193 M CA -0.415 54.927 55.300 0.069 0.000 1.021 193 M CB 0.982 33.636 32.600 0.091 0.000 1.530 193 M HN 0.725 nan 8.290 nan 0.000 0.437 194 Q N 4.933 124.769 119.800 0.059 0.000 2.222 194 Q HA 0.667 5.009 4.340 0.003 0.000 0.252 194 Q C -1.686 174.387 176.000 0.122 0.000 0.926 194 Q CA -0.632 55.176 55.803 0.007 0.000 0.899 194 Q CB 1.274 29.989 28.738 -0.040 0.000 1.250 194 Q HN 0.721 nan 8.270 nan 0.000 0.441 195 F N -0.446 119.481 119.950 -0.038 0.000 2.662 195 F HA 0.439 4.967 4.527 0.003 0.000 0.312 195 F C -1.006 174.765 175.800 -0.049 0.000 1.113 195 F CA -1.200 56.773 58.000 -0.045 0.000 0.951 195 F CB 1.072 40.044 39.000 -0.047 0.000 1.344 195 F HN 0.422 nan 8.300 nan 0.000 0.462 196 D N 0.700 121.209 120.400 0.181 0.000 2.663 196 D HA 0.234 4.876 4.640 0.003 0.000 0.243 196 D C -0.481 175.846 176.300 0.045 0.000 1.218 196 D CA 0.257 54.285 54.000 0.047 0.000 0.846 196 D CB -0.042 40.784 40.800 0.042 0.000 1.014 196 D HN 0.415 nan 8.370 nan 0.000 0.476 197 R N -0.122 120.383 120.500 0.009 0.000 2.574 197 R HA 0.628 4.970 4.340 0.003 0.000 0.288 197 R C 0.091 176.292 176.300 -0.166 0.000 1.004 197 R CA -0.644 55.450 56.100 -0.011 0.000 0.895 197 R CB 1.537 31.933 30.300 0.161 0.000 1.191 197 R HN 0.131 nan 8.270 nan 0.000 0.444 198 G N 1.336 110.028 108.800 -0.179 0.000 2.568 198 G HA2 0.251 4.213 3.960 0.003 0.000 0.293 198 G HA3 0.251 4.213 3.960 0.003 0.000 0.293 198 G C -0.904 173.893 174.900 -0.172 0.000 1.347 198 G CA -0.571 44.364 45.100 -0.275 0.000 1.039 198 G HN 0.582 nan 8.290 nan 0.000 0.523 199 Y N -1.262 119.022 120.300 -0.028 0.000 2.550 199 Y HA 0.300 4.852 4.550 0.003 0.000 0.343 199 Y C 1.132 177.048 175.900 0.026 0.000 1.245 199 Y CA -0.865 57.239 58.100 0.006 0.000 1.462 199 Y CB 0.352 38.816 38.460 0.007 0.000 1.340 199 Y HN 0.168 nan 8.280 nan 0.000 0.604 200 L N 1.548 122.942 121.223 0.284 0.000 2.558 200 L HA 0.151 4.492 4.340 0.003 0.000 0.225 200 L C 0.657 177.672 176.870 0.242 0.000 1.128 200 L CA 0.707 55.678 54.840 0.218 0.000 0.868 200 L CB -0.099 42.048 42.059 0.147 0.000 1.006 200 L HN 0.759 nan 8.230 nan 0.000 0.454 201 S N -1.090 114.768 115.700 0.265 0.000 2.548 201 S HA 0.367 4.839 4.470 0.003 0.000 0.278 201 S C -2.279 172.148 174.600 -0.287 0.000 1.150 201 S CA -0.785 57.470 58.200 0.093 0.000 0.907 201 S CB 1.746 65.035 63.200 0.148 0.000 1.108 201 S HN -0.176 nan 8.310 nan 0.000 0.459 202 P HA 0.114 nan 4.420 nan 0.000 0.249 202 P C 0.602 177.641 177.300 -0.435 0.000 1.229 202 P CA 0.267 62.847 63.100 -0.867 0.000 0.788 202 P CB -0.138 31.201 31.700 -0.601 0.000 1.072 203 Y N -1.304 118.900 120.300 -0.160 0.000 2.574 203 Y HA -0.009 4.543 4.550 0.003 0.000 0.294 203 Y C 1.867 177.772 175.900 0.008 0.000 1.142 203 Y CA 0.888 58.947 58.100 -0.069 0.000 1.314 203 Y CB -0.883 37.543 38.460 -0.056 0.000 0.991 203 Y HN -0.007 nan 8.280 nan 0.000 0.555 204 F N -0.232 119.699 119.950 -0.031 0.000 2.645 204 F HA 0.236 4.764 4.527 0.003 0.000 0.300 204 F C 0.292 176.050 175.800 -0.070 0.000 1.115 204 F CA -0.360 57.621 58.000 -0.032 0.000 1.355 204 F CB 0.121 39.113 39.000 -0.013 0.000 1.026 204 F HN -0.191 nan 8.300 nan 0.000 0.536 205 I N 3.086 123.689 120.570 0.054 0.000 2.593 205 I HA -0.142 4.030 4.170 0.003 0.000 0.304 205 I C 0.749 176.909 176.117 0.072 0.000 1.176 205 I CA 0.001 61.301 61.300 0.001 0.000 1.533 205 I CB -0.236 37.721 38.000 -0.071 0.000 1.492 205 I HN 0.292 nan 8.210 nan 0.000 0.704 206 N N 4.661 123.429 118.700 0.113 0.000 2.467 206 N HA -0.069 4.673 4.740 0.003 0.000 0.184 206 N C 0.201 175.747 175.510 0.061 0.000 1.106 206 N CA 0.462 53.588 53.050 0.128 0.000 0.892 206 N CB 0.268 38.883 38.487 0.214 0.000 0.969 206 N HN 0.226 nan 8.380 nan 0.000 0.454 207 K N 1.046 121.464 120.400 0.031 0.000 2.533 207 K HA 0.311 4.633 4.320 0.003 0.000 0.207 207 K C -2.049 174.559 176.600 0.013 0.000 1.052 207 K CA -1.907 54.390 56.287 0.017 0.000 1.030 207 K CB 1.934 34.438 32.500 0.005 0.000 1.522 207 K HN -0.038 nan 8.250 nan 0.000 0.543 208 P HA -0.159 nan 4.420 nan 0.000 0.221 208 P C 0.606 177.910 177.300 0.006 0.000 1.145 208 P CA 1.159 64.264 63.100 0.008 0.000 0.795 208 P CB 0.508 32.214 31.700 0.009 0.000 0.775 209 E N -1.064 119.139 120.200 0.006 0.000 2.110 209 E HA -0.133 4.219 4.350 0.003 0.000 0.193 209 E C 1.891 178.492 176.600 0.002 0.000 0.988 209 E CA 2.031 58.433 56.400 0.004 0.000 0.804 209 E CB -1.134 28.568 29.700 0.003 0.000 0.745 209 E HN 0.416 nan 8.360 nan 0.000 0.458 210 T N -5.114 109.442 114.554 0.002 0.000 3.000 210 T HA 0.347 4.699 4.350 0.003 0.000 0.248 210 T C 1.677 176.381 174.700 0.007 0.000 1.034 210 T CA 0.322 62.422 62.100 0.001 0.000 1.060 210 T CB 0.594 69.460 68.868 -0.003 0.000 0.983 210 T HN 0.260 nan 8.240 nan 0.000 0.482 211 G N 1.580 110.387 108.800 0.012 0.000 2.157 211 G HA2 0.011 3.973 3.960 0.003 0.000 0.248 211 G HA3 0.011 3.973 3.960 0.003 0.000 0.248 211 G C 0.242 175.168 174.900 0.043 0.000 0.979 211 G CA -0.068 45.048 45.100 0.026 0.000 0.650 211 G HN 1.169 nan 8.290 nan 0.000 0.529 212 A N -0.215 122.617 122.820 0.020 0.000 2.340 212 A HA 0.713 5.035 4.320 0.003 0.000 0.268 212 A C 0.502 178.079 177.584 -0.010 0.000 1.100 212 A CA 0.051 52.096 52.037 0.012 0.000 0.803 212 A CB 1.226 20.217 19.000 -0.015 0.000 1.043 212 A HN 1.112 nan 8.150 nan 0.000 0.488 213 V N 3.377 123.277 119.914 -0.023 0.000 2.372 213 V HA 0.136 4.257 4.120 0.003 0.000 0.261 213 V C 0.173 176.146 176.094 -0.202 0.000 1.055 213 V CA -0.012 62.202 62.300 -0.142 0.000 0.930 213 V CB 0.242 31.983 31.823 -0.136 0.000 1.031 213 V HN 0.879 nan 8.190 nan 0.000 0.479 214 E N 5.752 125.825 120.200 -0.211 0.000 1.993 214 E HA 0.321 4.673 4.350 0.003 0.000 0.271 214 E C -0.762 175.684 176.600 -0.257 0.000 1.008 214 E CA -0.358 55.938 56.400 -0.174 0.000 0.814 214 E CB 1.172 30.821 29.700 -0.085 0.000 1.098 214 E HN 0.590 nan 8.360 nan 0.000 0.407 215 L N 3.320 124.378 121.223 -0.275 0.000 2.363 215 L HA 0.200 4.542 4.340 0.003 0.000 0.286 215 L C 0.376 177.189 176.870 -0.094 0.000 1.106 215 L CA -0.330 54.371 54.840 -0.231 0.000 0.859 215 L CB -0.045 41.889 42.059 -0.209 0.000 1.223 215 L HN 0.368 nan 8.230 nan 0.000 0.446 216 E N 2.455 122.628 120.200 -0.044 0.000 2.194 216 E HA 0.094 4.446 4.350 0.003 0.000 0.284 216 E C 0.566 177.154 176.600 -0.020 0.000 1.035 216 E CA -0.008 56.379 56.400 -0.022 0.000 0.836 216 E CB 0.961 30.663 29.700 0.003 0.000 1.070 216 E HN 0.474 nan 8.360 nan 0.000 0.401 217 S N 4.319 119.992 115.700 -0.044 0.000 3.559 217 S HA -0.114 4.358 4.470 0.003 0.000 0.369 217 S C -2.357 172.176 174.600 -0.111 0.000 0.987 217 S CA 0.291 58.442 58.200 -0.082 0.000 1.187 217 S CB -0.903 62.245 63.200 -0.085 0.000 0.914 217 S HN 0.513 nan 8.310 nan 0.000 0.480 218 P HA 0.353 nan 4.420 nan 0.000 0.277 218 P C 0.145 177.406 177.300 -0.066 0.000 1.240 218 P CA -0.550 62.543 63.100 -0.012 0.000 0.798 218 P CB 0.349 32.075 31.700 0.044 0.000 0.979 219 F N 1.361 121.337 119.950 0.044 0.000 2.459 219 F HA 0.272 4.801 4.527 0.003 0.000 0.346 219 F C 1.074 176.899 175.800 0.043 0.000 1.128 219 F CA 0.332 58.354 58.000 0.038 0.000 1.268 219 F CB 0.194 39.216 39.000 0.036 0.000 1.161 219 F HN 0.071 nan 8.300 nan 0.000 0.583 220 I N 4.722 125.446 120.570 0.256 0.000 2.439 220 I HA 0.227 4.399 4.170 0.003 0.000 0.285 220 I C -1.080 175.110 176.117 0.122 0.000 1.021 220 I CA -0.881 60.511 61.300 0.154 0.000 1.091 220 I CB 1.655 39.721 38.000 0.111 0.000 1.242 220 I HN 0.292 nan 8.210 nan 0.000 0.439 221 L N 8.014 129.293 121.223 0.093 0.000 2.326 221 L HA 0.505 4.847 4.340 0.003 0.000 0.278 221 L C -0.890 176.005 176.870 0.042 0.000 1.092 221 L CA 0.095 54.968 54.840 0.055 0.000 0.810 221 L CB 0.939 43.023 42.059 0.041 0.000 1.153 221 L HN 0.475 nan 8.230 nan 0.000 0.439 222 L N 6.394 127.630 121.223 0.022 0.000 2.384 222 L HA 0.625 4.967 4.340 0.003 0.000 0.261 222 L C -0.394 176.472 176.870 -0.006 0.000 1.024 222 L CA -0.467 54.374 54.840 0.001 0.000 0.899 222 L CB 1.088 43.143 42.059 -0.007 0.000 1.243 222 L HN 0.782 nan 8.230 nan 0.000 0.449 223 A N 0.783 123.601 122.820 -0.004 0.000 2.273 223 A HA 0.353 4.675 4.320 0.003 0.000 0.315 223 A C 0.050 177.629 177.584 -0.010 0.000 1.256 223 A CA -0.450 51.585 52.037 -0.003 0.000 0.851 223 A CB 0.814 19.818 19.000 0.007 0.000 1.172 223 A HN 0.617 nan 8.150 nan 0.000 0.508 224 D N 1.771 122.164 120.400 -0.012 0.000 2.504 224 D HA 0.237 4.879 4.640 0.003 0.000 0.243 224 D C 0.220 176.515 176.300 -0.008 0.000 1.203 224 D CA 0.401 54.391 54.000 -0.016 0.000 0.847 224 D CB -0.272 40.518 40.800 -0.018 0.000 0.973 224 D HN 0.555 nan 8.370 nan 0.000 0.490 225 K N -1.566 118.833 120.400 -0.003 0.000 2.614 225 K HA 0.274 4.596 4.320 0.003 0.000 0.293 225 K C -1.186 175.420 176.600 0.009 0.000 1.045 225 K CA -1.080 55.209 56.287 0.003 0.000 0.880 225 K CB -0.020 32.483 32.500 0.004 0.000 1.552 225 K HN -0.118 nan 8.250 nan 0.000 0.404 226 K N 1.622 122.030 120.400 0.013 0.000 2.338 226 K HA 0.314 4.636 4.320 0.003 0.000 0.290 226 K C -0.569 176.041 176.600 0.017 0.000 1.069 226 K CA -0.291 56.006 56.287 0.018 0.000 0.941 226 K CB -0.022 32.489 32.500 0.020 0.000 1.023 226 K HN 0.568 nan 8.250 nan 0.000 0.477 227 I N 3.299 123.881 120.570 0.021 0.000 2.322 227 I HA -0.038 4.134 4.170 0.003 0.000 0.292 227 I C 0.926 177.056 176.117 0.022 0.000 1.060 227 I CA -0.154 61.158 61.300 0.020 0.000 1.309 227 I CB 1.316 39.330 38.000 0.022 0.000 1.415 227 I HN 0.801 nan 8.210 nan 0.000 0.492 228 S N 4.573 120.284 115.700 0.017 0.000 2.503 228 S HA 0.183 4.655 4.470 0.003 0.000 0.215 228 S C 0.345 174.954 174.600 0.015 0.000 1.003 228 S CA 0.122 58.333 58.200 0.017 0.000 0.910 228 S CB -0.049 63.160 63.200 0.015 0.000 0.790 228 S HN 0.701 nan 8.310 nan 0.000 0.514 229 N N 0.273 118.980 118.700 0.012 0.000 2.295 229 N HA 0.376 5.118 4.740 0.003 0.000 0.293 229 N C -0.016 175.498 175.510 0.007 0.000 1.040 229 N CA -0.420 52.635 53.050 0.008 0.000 0.840 229 N CB 1.569 40.060 38.487 0.006 0.000 1.468 229 N HN -0.067 nan 8.380 nan 0.000 0.478 230 I N 1.981 122.554 120.570 0.005 0.000 2.567 230 I HA -0.144 4.028 4.170 0.003 0.000 0.257 230 I C 2.362 178.478 176.117 -0.001 0.000 1.184 230 I CA 1.130 62.432 61.300 0.002 0.000 1.451 230 I CB -0.241 37.759 38.000 -0.000 0.000 1.089 230 I HN 0.598 nan 8.210 nan 0.000 0.441 231 R N 0.791 121.290 120.500 -0.002 0.000 2.190 231 R HA -0.295 4.047 4.340 0.003 0.000 0.255 231 R C 1.894 178.192 176.300 -0.005 0.000 1.143 231 R CA 2.605 58.703 56.100 -0.003 0.000 0.965 231 R CB -0.391 29.908 30.300 -0.002 0.000 0.889 231 R HN 0.548 nan 8.270 nan 0.000 0.448 232 E N -0.991 119.208 120.200 -0.002 0.000 2.230 232 E HA -0.081 4.271 4.350 0.003 0.000 0.192 232 E C 2.017 178.614 176.600 -0.006 0.000 0.987 232 E CA 0.590 56.988 56.400 -0.003 0.000 0.841 232 E CB 0.102 29.802 29.700 0.000 0.000 0.783 232 E HN 0.351 nan 8.360 nan 0.000 0.481 233 M N 0.424 120.022 119.600 -0.003 0.000 2.287 233 M HA 0.030 4.512 4.480 0.003 0.000 0.266 233 M C 2.281 178.573 176.300 -0.014 0.000 1.079 233 M CA 0.746 56.043 55.300 -0.005 0.000 1.146 233 M CB -0.669 31.933 32.600 0.004 0.000 1.374 233 M HN 0.137 nan 8.290 nan 0.000 0.435 234 L N 0.379 121.594 121.223 -0.014 0.000 2.034 234 L HA -0.256 4.086 4.340 0.003 0.000 0.217 234 L C -0.449 176.405 176.870 -0.026 0.000 1.077 234 L CA 2.087 56.916 54.840 -0.018 0.000 0.769 234 L CB -1.994 40.056 42.059 -0.015 0.000 0.890 234 L HN 0.178 nan 8.230 nan 0.000 0.435 235 P HA -0.141 nan 4.420 nan 0.000 0.216 235 P C 1.742 179.006 177.300 -0.059 0.000 1.150 235 P CA 1.188 64.265 63.100 -0.039 0.000 0.837 235 P CB 0.089 31.768 31.700 -0.035 0.000 0.786 236 V N -0.748 119.129 119.914 -0.063 0.000 2.331 236 V HA -0.123 3.999 4.120 0.003 0.000 0.242 236 V C 2.415 178.457 176.094 -0.087 0.000 1.034 236 V CA 1.137 63.380 62.300 -0.096 0.000 1.027 236 V CB -1.176 30.598 31.823 -0.082 0.000 0.667 236 V HN 0.047 nan 8.190 nan 0.000 0.457 237 L N 0.079 121.274 121.223 -0.046 0.000 2.017 237 L HA -0.211 4.131 4.340 0.003 0.000 0.208 237 L C 2.689 179.542 176.870 -0.028 0.000 1.073 237 L CA 2.136 56.961 54.840 -0.025 0.000 0.745 237 L CB -0.202 41.851 42.059 -0.010 0.000 0.894 237 L HN 0.424 nan 8.230 nan 0.000 0.432 238 E N 0.087 120.269 120.200 -0.031 0.000 2.077 238 E HA -0.217 4.135 4.350 0.003 0.000 0.193 238 E C 1.956 178.537 176.600 -0.031 0.000 0.989 238 E CA 1.643 58.027 56.400 -0.026 0.000 0.800 238 E CB -0.142 29.543 29.700 -0.025 0.000 0.746 238 E HN 0.503 nan 8.360 nan 0.000 0.452 239 A N -0.161 122.627 122.820 -0.053 0.000 1.930 239 A HA -0.095 4.227 4.320 0.003 0.000 0.217 239 A C 2.457 180.002 177.584 -0.066 0.000 1.175 239 A CA 1.492 53.490 52.037 -0.066 0.000 0.627 239 A CB -0.549 18.390 19.000 -0.100 0.000 0.815 239 A HN 0.204 nan 8.150 nan 0.000 0.443 240 V N -0.325 119.538 119.914 -0.085 0.000 2.548 240 V HA -0.155 3.967 4.120 0.003 0.000 0.249 240 V C 2.980 179.109 176.094 0.059 0.000 1.055 240 V CA 1.595 63.881 62.300 -0.023 0.000 1.065 240 V CB -0.938 30.861 31.823 -0.040 0.000 0.681 240 V HN 0.595 nan 8.190 nan 0.000 0.462 241 A N -0.056 122.780 122.820 0.026 0.000 1.933 241 A HA -0.213 4.109 4.320 0.003 0.000 0.218 241 A C 2.180 179.780 177.584 0.026 0.000 1.175 241 A CA 1.649 53.702 52.037 0.025 0.000 0.628 241 A CB -0.402 18.600 19.000 0.004 0.000 0.814 241 A HN 0.529 nan 8.150 nan 0.000 0.444 242 K N -0.448 119.962 120.400 0.018 0.000 2.515 242 K HA 0.090 4.412 4.320 0.003 0.000 0.196 242 K C 1.403 178.027 176.600 0.040 0.000 1.038 242 K CA 0.694 56.993 56.287 0.020 0.000 0.967 242 K CB -0.109 32.395 32.500 0.007 0.000 0.780 242 K HN 0.460 nan 8.250 nan 0.000 0.483 243 A N -0.348 122.513 122.820 0.070 0.000 2.382 243 A HA 0.325 4.647 4.320 0.003 0.000 0.228 243 A C 1.429 179.076 177.584 0.105 0.000 1.217 243 A CA 0.456 52.558 52.037 0.108 0.000 0.923 243 A CB 0.168 19.285 19.000 0.195 0.000 0.979 243 A HN 0.287 nan 8.150 nan 0.000 0.515 244 G N 0.025 108.877 108.800 0.087 0.000 2.189 244 G HA2 -0.318 3.644 3.960 0.003 0.000 0.267 244 G HA3 -0.318 3.644 3.960 0.003 0.000 0.267 244 G C 0.360 175.313 174.900 0.089 0.000 0.975 244 G CA 0.956 46.097 45.100 0.069 0.000 0.644 244 G HN 0.593 nan 8.290 nan 0.000 0.537 245 K N 1.138 121.620 120.400 0.137 0.000 2.202 245 K HA 0.454 4.776 4.320 0.003 0.000 0.264 245 K C -2.085 174.622 176.600 0.179 0.000 1.010 245 K CA -1.574 54.796 56.287 0.138 0.000 0.940 245 K CB 0.593 33.167 32.500 0.124 0.000 0.983 245 K HN 0.063 nan 8.250 nan 0.000 0.475 246 P HA 0.029 nan 4.420 nan 0.000 0.272 246 P C -1.249 176.202 177.300 0.251 0.000 1.230 246 P CA -0.408 62.836 63.100 0.240 0.000 0.788 246 P CB 0.461 32.343 31.700 0.303 0.000 0.949 247 L N 2.425 123.796 121.223 0.246 0.000 2.362 247 L HA 0.561 4.903 4.340 0.003 0.000 0.275 247 L C -1.405 175.586 176.870 0.202 0.000 0.998 247 L CA -0.842 54.130 54.840 0.220 0.000 0.820 247 L CB 1.475 43.629 42.059 0.158 0.000 1.270 247 L HN 0.134 nan 8.230 nan 0.000 0.415 248 L N 5.899 127.224 121.223 0.170 0.000 2.307 248 L HA 0.628 4.970 4.340 0.003 0.000 0.284 248 L C -1.056 175.889 176.870 0.124 0.000 1.023 248 L CA -0.053 54.872 54.840 0.141 0.000 0.810 248 L CB 1.303 43.430 42.059 0.115 0.000 1.231 248 L HN 0.533 nan 8.230 nan 0.000 0.423 249 I N 6.619 127.258 120.570 0.115 0.000 2.306 249 I HA 0.345 4.517 4.170 0.003 0.000 0.288 249 I C -0.196 175.980 176.117 0.100 0.000 1.036 249 I CA 0.074 61.430 61.300 0.093 0.000 1.221 249 I CB 0.718 38.766 38.000 0.080 0.000 1.385 249 I HN 0.412 nan 8.210 nan 0.000 0.472 250 I N 6.123 126.746 120.570 0.087 0.000 2.304 250 I HA 0.692 4.864 4.170 0.003 0.000 0.291 250 I C 0.417 176.550 176.117 0.028 0.000 1.018 250 I CA -0.152 61.193 61.300 0.075 0.000 1.260 250 I CB 0.878 38.910 38.000 0.052 0.000 1.390 250 I HN 0.678 nan 8.210 nan 0.000 0.475 251 A N 4.800 127.636 122.820 0.028 0.000 2.524 251 A HA 0.417 4.739 4.320 0.003 0.000 0.286 251 A C 0.748 178.330 177.584 -0.002 0.000 1.203 251 A CA -0.569 51.474 52.037 0.009 0.000 0.736 251 A CB 1.302 20.317 19.000 0.025 0.000 1.322 251 A HN 0.743 nan 8.150 nan 0.000 0.424 252 E N -0.464 119.732 120.200 -0.007 0.000 2.058 252 E HA -0.150 4.202 4.350 0.003 0.000 0.194 252 E C -0.128 176.481 176.600 0.017 0.000 0.997 252 E CA 1.877 58.275 56.400 -0.003 0.000 0.801 252 E CB 0.119 29.817 29.700 -0.003 0.000 0.746 252 E HN 0.592 nan 8.360 nan 0.000 0.450 253 D N -1.826 118.589 120.400 0.024 0.000 2.622 253 D HA 0.308 4.949 4.640 0.003 0.000 0.255 253 D C -1.890 174.433 176.300 0.038 0.000 1.246 253 D CA -0.574 53.447 54.000 0.035 0.000 0.795 253 D CB 2.275 43.094 40.800 0.032 0.000 1.369 253 D HN -0.085 nan 8.370 nan 0.000 0.425 254 V N 1.897 121.839 119.914 0.047 0.000 2.668 254 V HA 0.625 4.747 4.120 0.003 0.000 0.304 254 V C -0.202 175.921 176.094 0.049 0.000 1.071 254 V CA -0.599 61.729 62.300 0.048 0.000 0.894 254 V CB 1.644 33.502 31.823 0.059 0.000 1.008 254 V HN 0.725 nan 8.190 nan 0.000 0.425 255 E N 3.071 123.296 120.200 0.041 0.000 2.166 255 E HA 0.796 5.147 4.350 0.003 0.000 0.223 255 E C 0.508 177.127 176.600 0.032 0.000 1.174 255 E CA -0.277 56.146 56.400 0.038 0.000 0.901 255 E CB 0.877 30.598 29.700 0.034 0.000 1.893 255 E HN 1.321 nan 8.360 nan 0.000 0.487 256 G N 1.042 109.859 108.800 0.028 0.000 2.583 256 G HA2 -0.433 3.529 3.960 0.003 0.000 0.292 256 G HA3 -0.433 3.529 3.960 0.003 0.000 0.292 256 G C 0.725 175.638 174.900 0.021 0.000 1.203 256 G CA 1.218 46.331 45.100 0.022 0.000 0.987 256 G HN 0.897 nan 8.290 nan 0.000 0.554 257 E N 0.617 120.826 120.200 0.016 0.000 2.318 257 E HA 0.532 4.884 4.350 0.003 0.000 0.193 257 E C 2.569 179.178 176.600 0.014 0.000 0.998 257 E CA 1.838 58.246 56.400 0.012 0.000 0.859 257 E CB -0.546 29.158 29.700 0.007 0.000 0.812 257 E HN 1.225 nan 8.360 nan 0.000 0.492 258 A N 1.430 124.261 122.820 0.018 0.000 1.883 258 A HA -0.132 4.190 4.320 0.003 0.000 0.217 258 A C 2.180 179.782 177.584 0.029 0.000 1.186 258 A CA 1.623 53.673 52.037 0.021 0.000 0.624 258 A CB -0.827 18.187 19.000 0.023 0.000 0.822 258 A HN 0.324 nan 8.150 nan 0.000 0.444 259 L N -0.277 120.969 121.223 0.037 0.000 2.017 259 L HA -0.060 4.282 4.340 0.003 0.000 0.208 259 L C 2.725 179.621 176.870 0.043 0.000 1.073 259 L CA 2.296 57.166 54.840 0.050 0.000 0.745 259 L CB -0.914 41.180 42.059 0.058 0.000 0.894 259 L HN 0.361 nan 8.230 nan 0.000 0.432 260 A N -1.068 121.771 122.820 0.032 0.000 1.883 260 A HA -0.262 4.060 4.320 0.003 0.000 0.217 260 A C 2.355 179.939 177.584 0.001 0.000 1.186 260 A CA 2.793 54.841 52.037 0.019 0.000 0.624 260 A CB -1.451 17.558 19.000 0.014 0.000 0.822 260 A HN 0.639 nan 8.150 nan 0.000 0.444 261 T N -1.344 113.210 114.554 0.000 0.000 2.777 261 T HA -0.058 4.294 4.350 0.003 0.000 0.266 261 T C 1.857 176.550 174.700 -0.013 0.000 1.040 261 T CA 1.372 63.465 62.100 -0.011 0.000 1.141 261 T CB -0.646 68.218 68.868 -0.007 0.000 0.868 261 T HN 0.276 nan 8.240 nan 0.000 0.444 262 L N 0.738 121.964 121.223 0.006 0.000 2.042 262 L HA -0.080 4.262 4.340 0.003 0.000 0.210 262 L C 2.975 179.846 176.870 0.001 0.000 1.076 262 L CA 0.987 55.835 54.840 0.013 0.000 0.749 262 L CB -0.722 41.363 42.059 0.044 0.000 0.893 262 L HN 0.173 nan 8.230 nan 0.000 0.432 263 V N -0.900 119.019 119.914 0.009 0.000 2.295 263 V HA -0.242 3.879 4.120 0.003 0.000 0.246 263 V C 2.394 178.429 176.094 -0.099 0.000 1.049 263 V CA 1.494 63.788 62.300 -0.009 0.000 1.024 263 V CB -0.171 31.677 31.823 0.041 0.000 0.648 263 V HN 0.185 nan 8.190 nan 0.000 0.447 264 V N 0.492 120.351 119.914 -0.091 0.000 2.343 264 V HA -0.257 3.865 4.120 0.003 0.000 0.247 264 V C 2.306 178.331 176.094 -0.115 0.000 1.051 264 V CA 2.080 64.310 62.300 -0.117 0.000 1.036 264 V CB -0.845 30.930 31.823 -0.080 0.000 0.654 264 V HN 0.603 nan 8.190 nan 0.000 0.451 265 N N -0.156 118.490 118.700 -0.089 0.000 2.137 265 N HA -0.162 4.580 4.740 0.003 0.000 0.190 265 N C 1.798 177.228 175.510 -0.133 0.000 1.017 265 N CA 2.107 55.102 53.050 -0.091 0.000 0.859 265 N CB -0.118 38.329 38.487 -0.066 0.000 1.002 265 N HN 0.510 nan 8.380 nan 0.000 0.428 266 T N 1.669 116.125 114.554 -0.162 0.000 2.755 266 T HA -0.016 4.335 4.350 0.003 0.000 0.251 266 T C 1.925 176.494 174.700 -0.219 0.000 1.044 266 T CA 0.597 62.555 62.100 -0.235 0.000 1.154 266 T CB -0.136 68.594 68.868 -0.231 0.000 0.866 266 T HN 0.161 nan 8.240 nan 0.000 0.416 267 M N 1.117 120.567 119.600 -0.249 0.000 2.254 267 M HA 0.112 4.594 4.480 0.003 0.000 0.265 267 M C 1.888 178.031 176.300 -0.261 0.000 1.066 267 M CA 1.513 56.600 55.300 -0.354 0.000 1.123 267 M CB -0.659 31.442 32.600 -0.831 0.000 1.388 267 M HN -0.033 nan 8.290 nan 0.000 0.425 268 R N 0.661 121.037 120.500 -0.207 0.000 2.346 268 R HA 0.102 4.443 4.340 0.003 0.000 0.199 268 R C 1.050 177.284 176.300 -0.110 0.000 1.015 268 R CA 1.012 57.027 56.100 -0.142 0.000 1.058 268 R CB -0.741 29.489 30.300 -0.118 0.000 0.921 268 R HN 0.729 nan 8.270 nan 0.000 0.475 269 G N -0.752 107.976 108.800 -0.120 0.000 2.157 269 G HA2 -0.235 3.727 3.960 0.003 0.000 0.248 269 G HA3 -0.235 3.727 3.960 0.003 0.000 0.248 269 G C 0.568 175.414 174.900 -0.089 0.000 0.979 269 G CA 0.325 45.367 45.100 -0.097 0.000 0.650 269 G HN 0.209 nan 8.290 nan 0.000 0.529 270 I N 0.127 120.640 120.570 -0.094 0.000 2.405 270 I HA 0.237 4.409 4.170 0.003 0.000 0.236 270 I C 1.480 177.548 176.117 -0.081 0.000 1.071 270 I CA 1.879 63.134 61.300 -0.075 0.000 1.398 270 I CB -1.090 36.872 38.000 -0.064 0.000 1.162 270 I HN 0.610 nan 8.210 nan 0.000 0.432 271 V N -0.843 119.010 119.914 -0.103 0.000 2.668 271 V HA 0.475 4.597 4.120 0.003 0.000 0.304 271 V C -0.661 175.322 176.094 -0.186 0.000 1.071 271 V CA -1.116 61.120 62.300 -0.107 0.000 0.894 271 V CB 1.675 33.466 31.823 -0.053 0.000 1.008 271 V HN 0.149 nan 8.190 nan 0.000 0.425 272 K N 3.661 123.880 120.400 -0.301 0.000 2.227 272 K HA 0.770 5.092 4.320 0.003 0.000 0.280 272 K C -0.456 175.882 176.600 -0.437 0.000 1.041 272 K CA -0.514 55.351 56.287 -0.703 0.000 0.905 272 K CB 1.913 33.600 32.500 -1.355 0.000 1.068 272 K HN 0.993 nan 8.250 nan 0.000 0.470 273 V N -1.213 118.572 119.914 -0.215 0.000 3.049 273 V HA 0.904 5.026 4.120 0.003 0.000 0.309 273 V C -1.056 175.247 176.094 0.349 0.000 1.148 273 V CA -1.059 61.358 62.300 0.196 0.000 0.990 273 V CB 1.801 33.681 31.823 0.096 0.000 1.039 273 V HN 0.801 nan 8.190 nan 0.000 0.430 274 A N 1.961 124.996 122.820 0.360 0.000 2.423 274 A HA 1.100 5.421 4.320 0.003 0.000 0.304 274 A C -0.224 177.470 177.584 0.184 0.000 1.104 274 A CA -0.348 51.864 52.037 0.290 0.000 0.757 274 A CB 1.872 21.002 19.000 0.216 0.000 1.313 274 A HN 2.597 nan 8.150 nan 0.000 0.423 275 A N 0.130 123.050 122.820 0.166 0.000 2.486 275 A HA 0.789 5.110 4.320 0.003 0.000 0.300 275 A C -0.753 176.917 177.584 0.144 0.000 1.048 275 A CA -0.027 52.093 52.037 0.138 0.000 0.696 275 A CB 1.422 20.492 19.000 0.117 0.000 1.278 275 A HN 2.309 nan 8.150 nan 0.000 0.405 276 V N -0.675 119.321 119.914 0.136 0.000 2.841 276 V HA 0.652 4.773 4.120 0.003 0.000 0.310 276 V C -0.409 175.759 176.094 0.123 0.000 1.090 276 V CA -1.079 61.306 62.300 0.142 0.000 0.930 276 V CB 1.418 33.353 31.823 0.188 0.000 1.014 276 V HN 0.913 nan 8.190 nan 0.000 0.425 277 K N 2.104 122.567 120.400 0.105 0.000 2.230 277 K HA 0.680 5.002 4.320 0.003 0.000 0.253 277 K C 0.500 177.153 176.600 0.089 0.000 1.008 277 K CA 0.291 56.625 56.287 0.079 0.000 0.910 277 K CB 1.036 33.573 32.500 0.063 0.000 0.994 277 K HN 1.133 nan 8.250 nan 0.000 0.495 278 A N 2.664 125.505 122.820 0.035 0.000 2.351 278 A HA 0.318 4.640 4.320 0.003 0.000 0.257 278 A C -2.195 175.396 177.584 0.012 0.000 1.087 278 A CA -1.234 50.797 52.037 -0.011 0.000 0.798 278 A CB -0.145 18.819 19.000 -0.061 0.000 1.033 278 A HN 0.454 nan 8.150 nan 0.000 0.488 279 P HA 0.433 nan 4.420 nan 0.000 0.279 279 P C 0.754 177.987 177.300 -0.111 0.000 1.239 279 P CA 1.277 64.378 63.100 0.001 0.000 0.789 279 P CB 1.016 32.750 31.700 0.057 0.000 0.933 280 G N 2.751 111.491 108.800 -0.100 0.000 2.547 280 G HA2 -0.185 3.777 3.960 0.003 0.000 0.271 280 G HA3 -0.185 3.777 3.960 0.003 0.000 0.271 280 G C -0.659 174.158 174.900 -0.138 0.000 1.209 280 G CA 0.309 45.275 45.100 -0.222 0.000 0.959 280 G HN 0.682 nan 8.290 nan 0.000 0.563 281 F N -1.362 118.605 119.950 0.029 0.000 2.620 281 F HA 0.808 5.337 4.527 0.003 0.000 0.320 281 F C 0.961 176.778 175.800 0.029 0.000 1.069 281 F CA -0.134 57.886 58.000 0.033 0.000 0.953 281 F CB 0.966 39.995 39.000 0.048 0.000 1.322 281 F HN 2.365 nan 8.300 nan 0.000 0.479 282 G N 1.046 110.006 108.800 0.268 0.000 2.575 282 G HA2 -0.282 3.680 3.960 0.003 0.000 0.267 282 G HA3 -0.282 3.680 3.960 0.003 0.000 0.267 282 G C 0.353 175.309 174.900 0.094 0.000 1.264 282 G CA 0.414 45.642 45.100 0.213 0.000 0.935 282 G HN 0.891 nan 8.290 nan 0.000 0.568 283 D N 0.116 120.569 120.400 0.090 0.000 2.123 283 D HA -0.144 4.498 4.640 0.003 0.000 0.196 283 D C 2.257 178.549 176.300 -0.014 0.000 0.992 283 D CA 1.374 55.395 54.000 0.035 0.000 0.833 283 D CB -0.148 40.678 40.800 0.043 0.000 0.954 283 D HN 0.530 nan 8.370 nan 0.000 0.455 284 R N 1.413 121.895 120.500 -0.030 0.000 2.096 284 R HA -0.187 4.155 4.340 0.003 0.000 0.240 284 R C 2.453 178.645 176.300 -0.181 0.000 1.139 284 R CA 1.359 57.381 56.100 -0.130 0.000 0.952 284 R CB -0.144 30.029 30.300 -0.211 0.000 0.854 284 R HN 0.072 nan 8.270 nan 0.000 0.436 285 R N 0.735 121.119 120.500 -0.193 0.000 2.094 285 R HA -0.187 4.155 4.340 0.003 0.000 0.239 285 R C 1.839 178.063 176.300 -0.127 0.000 1.137 285 R CA 2.285 58.283 56.100 -0.169 0.000 0.943 285 R CB -0.091 30.142 30.300 -0.111 0.000 0.850 285 R HN 0.249 nan 8.270 nan 0.000 0.433 286 K N -0.466 119.882 120.400 -0.085 0.000 2.137 286 K HA 0.058 4.380 4.320 0.003 0.000 0.202 286 K C 2.157 178.709 176.600 -0.080 0.000 1.052 286 K CA 0.807 57.050 56.287 -0.072 0.000 0.961 286 K CB -0.027 32.450 32.500 -0.039 0.000 0.741 286 K HN 0.218 nan 8.250 nan 0.000 0.452 287 A N 1.794 124.569 122.820 -0.075 0.000 1.948 287 A HA -0.181 4.140 4.320 0.003 0.000 0.220 287 A C 2.110 179.640 177.584 -0.090 0.000 1.177 287 A CA 1.596 53.590 52.037 -0.070 0.000 0.636 287 A CB -0.572 18.391 19.000 -0.061 0.000 0.815 287 A HN 0.206 nan 8.150 nan 0.000 0.449 288 M N -1.191 118.335 119.600 -0.123 0.000 2.460 288 M HA -0.070 4.412 4.480 0.003 0.000 0.263 288 M C 1.962 178.160 176.300 -0.170 0.000 1.071 288 M CA 0.713 55.923 55.300 -0.149 0.000 1.096 288 M CB -0.339 32.147 32.600 -0.189 0.000 1.408 288 M HN 0.440 nan 8.290 nan 0.000 0.463 289 L N 0.653 121.782 121.223 -0.157 0.000 2.131 289 L HA -0.210 4.131 4.340 0.003 0.000 0.210 289 L C 2.419 179.233 176.870 -0.094 0.000 1.092 289 L CA 1.875 56.631 54.840 -0.139 0.000 0.759 289 L CB -0.518 41.475 42.059 -0.108 0.000 0.903 289 L HN 0.241 nan 8.230 nan 0.000 0.435 290 Q N -0.693 119.062 119.800 -0.074 0.000 2.297 290 Q HA -0.149 4.193 4.340 0.003 0.000 0.204 290 Q C 1.653 177.624 176.000 -0.049 0.000 0.962 290 Q CA 1.483 57.256 55.803 -0.051 0.000 0.879 290 Q CB -0.147 28.566 28.738 -0.041 0.000 0.947 290 Q HN 0.538 nan 8.270 nan 0.000 0.462 291 D N -0.199 120.163 120.400 -0.063 0.000 2.117 291 D HA -0.105 4.537 4.640 0.003 0.000 0.198 291 D C 1.772 178.043 176.300 -0.048 0.000 0.982 291 D CA 1.148 55.116 54.000 -0.053 0.000 0.828 291 D CB -0.105 40.658 40.800 -0.063 0.000 0.967 291 D HN 0.364 nan 8.370 nan 0.000 0.464 292 I N 1.412 121.940 120.570 -0.071 0.000 2.286 292 I HA -0.229 3.943 4.170 0.003 0.000 0.248 292 I C 2.530 178.632 176.117 -0.026 0.000 1.115 292 I CA 0.855 62.123 61.300 -0.053 0.000 1.392 292 I CB -0.244 37.696 38.000 -0.100 0.000 1.065 292 I HN -0.092 nan 8.210 nan 0.000 0.418 293 A N 0.670 123.472 122.820 -0.030 0.000 1.883 293 A HA -0.221 4.101 4.320 0.003 0.000 0.217 293 A C 2.399 179.981 177.584 -0.005 0.000 1.186 293 A CA 2.615 54.645 52.037 -0.012 0.000 0.624 293 A CB -1.142 17.848 19.000 -0.017 0.000 0.822 293 A HN 0.399 nan 8.150 nan 0.000 0.444 294 T N -0.107 114.442 114.554 -0.010 0.000 2.821 294 T HA -0.086 4.266 4.350 0.003 0.000 0.267 294 T C 1.768 176.467 174.700 -0.001 0.000 1.046 294 T CA 1.312 63.409 62.100 -0.005 0.000 1.139 294 T CB -0.308 68.555 68.868 -0.009 0.000 0.871 294 T HN 0.286 nan 8.240 nan 0.000 0.454 295 L N 2.053 123.275 121.223 -0.002 0.000 2.191 295 L HA -0.033 4.309 4.340 0.003 0.000 0.212 295 L C 2.253 179.129 176.870 0.010 0.000 1.103 295 L CA 1.810 56.653 54.840 0.004 0.000 0.769 295 L CB -0.691 41.371 42.059 0.006 0.000 0.908 295 L HN 0.426 nan 8.230 nan 0.000 0.438 296 T N -5.419 109.143 114.554 0.013 0.000 3.010 296 T HA 0.412 4.764 4.350 0.003 0.000 0.257 296 T C 1.278 175.993 174.700 0.026 0.000 1.020 296 T CA 0.218 62.331 62.100 0.021 0.000 0.938 296 T CB 0.297 69.183 68.868 0.031 0.000 1.049 296 T HN 0.482 nan 8.240 nan 0.000 0.522 297 G N 0.669 109.482 108.800 0.021 0.000 2.137 297 G HA2 0.008 3.970 3.960 0.003 0.000 0.237 297 G HA3 0.008 3.970 3.960 0.003 0.000 0.237 297 G C 0.395 175.313 174.900 0.030 0.000 1.002 297 G CA -0.209 44.905 45.100 0.023 0.000 0.702 297 G HN 1.004 nan 8.290 nan 0.000 0.515 298 G N -1.191 107.626 108.800 0.028 0.000 2.535 298 G HA2 0.696 4.657 3.960 0.003 0.000 0.303 298 G HA3 0.696 4.657 3.960 0.003 0.000 0.303 298 G C 0.252 175.161 174.900 0.015 0.000 1.237 298 G CA 0.442 45.559 45.100 0.029 0.000 0.986 298 G HN 0.497 nan 8.290 nan 0.000 0.494 299 T N -0.939 113.622 114.554 0.012 0.000 2.862 299 T HA 0.414 4.766 4.350 0.003 0.000 0.276 299 T C -0.036 174.663 174.700 -0.002 0.000 0.974 299 T CA -0.303 61.798 62.100 0.003 0.000 0.966 299 T CB 1.648 70.517 68.868 0.002 0.000 1.072 299 T HN 0.214 nan 8.240 nan 0.000 0.538 300 V N 2.130 122.039 119.914 -0.008 0.000 2.364 300 V HA 0.267 4.389 4.120 0.003 0.000 0.272 300 V C -0.219 175.869 176.094 -0.010 0.000 1.036 300 V CA -0.535 61.758 62.300 -0.013 0.000 0.880 300 V CB 0.722 32.534 31.823 -0.019 0.000 0.991 300 V HN 0.630 nan 8.190 nan 0.000 0.460 301 I N 4.667 125.232 120.570 -0.009 0.000 2.213 301 I HA 0.164 4.336 4.170 0.003 0.000 0.295 301 I C 0.780 176.892 176.117 -0.008 0.000 1.172 301 I CA 0.904 62.200 61.300 -0.007 0.000 1.443 301 I CB 0.554 38.551 38.000 -0.005 0.000 1.491 301 I HN 0.499 nan 8.210 nan 0.000 0.652 302 S N 3.515 119.210 115.700 -0.008 0.000 2.448 302 S HA 0.195 4.667 4.470 0.003 0.000 0.320 302 S C 1.310 175.907 174.600 -0.005 0.000 1.071 302 S CA -0.632 57.564 58.200 -0.008 0.000 1.113 302 S CB 0.550 63.744 63.200 -0.010 0.000 0.972 302 S HN 0.698 nan 8.310 nan 0.000 0.465 303 E N 3.439 123.637 120.200 -0.004 0.000 2.147 303 E HA -0.216 4.136 4.350 0.003 0.000 0.199 303 E C 1.035 177.634 176.600 -0.002 0.000 1.005 303 E CA 1.659 58.058 56.400 -0.002 0.000 0.810 303 E CB 0.058 29.757 29.700 -0.001 0.000 0.736 303 E HN 0.841 nan 8.360 nan 0.000 0.460 304 E N -0.105 120.094 120.200 -0.002 0.000 2.427 304 E HA -0.057 4.295 4.350 0.003 0.000 0.196 304 E C 1.413 178.013 176.600 -0.002 0.000 1.028 304 E CA 0.743 57.142 56.400 -0.001 0.000 0.864 304 E CB 0.079 29.779 29.700 -0.000 0.000 0.813 304 E HN 0.536 nan 8.360 nan 0.000 0.514 305 I N -4.118 116.451 120.570 -0.003 0.000 3.491 305 I HA 0.494 4.666 4.170 0.003 0.000 0.332 305 I C 0.795 176.910 176.117 -0.003 0.000 1.565 305 I CA -0.277 61.021 61.300 -0.003 0.000 1.050 305 I CB 0.548 38.546 38.000 -0.004 0.000 1.348 305 I HN 0.020 nan 8.210 nan 0.000 0.506 306 G N 2.122 110.921 108.800 -0.003 0.000 2.162 306 G HA2 -0.293 3.668 3.960 0.003 0.000 0.260 306 G HA3 -0.293 3.668 3.960 0.003 0.000 0.260 306 G C 0.290 175.188 174.900 -0.004 0.000 0.976 306 G CA 0.319 45.418 45.100 -0.003 0.000 0.655 306 G HN 0.502 nan 8.290 nan 0.000 0.533 307 M N 1.801 121.399 119.600 -0.004 0.000 3.561 307 M HA 0.204 4.686 4.480 0.003 0.000 0.230 307 M C 0.254 176.550 176.300 -0.005 0.000 1.387 307 M CA 0.116 55.413 55.300 -0.005 0.000 1.570 307 M CB -0.034 32.563 32.600 -0.005 0.000 1.057 307 M HN 0.228 nan 8.290 nan 0.000 0.607 308 E N 1.350 121.547 120.200 -0.005 0.000 2.415 308 E HA -0.067 4.285 4.350 0.003 0.000 0.260 308 E C 0.896 177.492 176.600 -0.007 0.000 1.016 308 E CA -0.335 56.062 56.400 -0.005 0.000 0.924 308 E CB 1.064 30.761 29.700 -0.005 0.000 0.961 308 E HN 0.454 nan 8.360 nan 0.000 0.459 309 L N 4.520 125.739 121.223 -0.007 0.000 2.081 309 L HA -0.233 4.109 4.340 0.003 0.000 0.212 309 L C 1.502 178.365 176.870 -0.011 0.000 1.080 309 L CA 1.940 56.775 54.840 -0.009 0.000 0.754 309 L CB -0.307 41.748 42.059 -0.005 0.000 0.893 309 L HN 0.568 nan 8.230 nan 0.000 0.433 310 E N -0.292 119.903 120.200 -0.009 0.000 2.463 310 E HA -0.208 4.144 4.350 0.003 0.000 0.201 310 E C 0.956 177.549 176.600 -0.012 0.000 1.045 310 E CA 1.072 57.466 56.400 -0.010 0.000 0.872 310 E CB -0.059 29.637 29.700 -0.007 0.000 0.797 310 E HN 0.657 nan 8.360 nan 0.000 0.538 311 K N -1.133 119.260 120.400 -0.012 0.000 2.644 311 K HA 0.420 4.742 4.320 0.003 0.000 0.198 311 K C -0.030 176.560 176.600 -0.016 0.000 1.113 311 K CA -0.276 56.003 56.287 -0.014 0.000 1.073 311 K CB 0.895 33.388 32.500 -0.011 0.000 0.811 311 K HN -0.043 nan 8.250 nan 0.000 0.508 312 A N 1.143 123.952 122.820 -0.019 0.000 2.386 312 A HA 0.448 4.770 4.320 0.003 0.000 0.246 312 A C 0.358 177.923 177.584 -0.032 0.000 1.089 312 A CA 0.356 52.380 52.037 -0.022 0.000 0.790 312 A CB 0.169 19.156 19.000 -0.021 0.000 1.042 312 A HN 0.546 nan 8.150 nan 0.000 0.497 313 T N -1.684 112.850 114.554 -0.034 0.000 2.907 313 T HA 0.532 4.883 4.350 0.003 0.000 0.290 313 T C 0.823 175.485 174.700 -0.063 0.000 1.066 313 T CA -0.690 61.383 62.100 -0.045 0.000 1.012 313 T CB 0.701 69.552 68.868 -0.028 0.000 1.184 313 T HN 0.371 nan 8.240 nan 0.000 0.522 314 L N 0.043 121.210 121.223 -0.093 0.000 2.265 314 L HA -0.022 4.320 4.340 0.003 0.000 0.215 314 L C 2.715 179.569 176.870 -0.027 0.000 1.117 314 L CA 1.420 56.175 54.840 -0.141 0.000 0.782 314 L CB -0.552 41.391 42.059 -0.194 0.000 0.914 314 L HN 0.782 nan 8.230 nan 0.000 0.441 315 E N 0.601 120.802 120.200 0.002 0.000 2.150 315 E HA -0.198 4.154 4.350 0.003 0.000 0.193 315 E C 1.609 178.227 176.600 0.031 0.000 0.985 315 E CA 1.153 57.572 56.400 0.031 0.000 0.814 315 E CB -0.024 29.687 29.700 0.019 0.000 0.752 315 E HN 0.389 nan 8.360 nan 0.000 0.466 316 D N -0.110 120.297 120.400 0.012 0.000 2.348 316 D HA -0.042 4.600 4.640 0.003 0.000 0.216 316 D C 0.339 176.654 176.300 0.026 0.000 0.970 316 D CA 0.285 54.292 54.000 0.012 0.000 0.889 316 D CB 0.197 40.996 40.800 -0.002 0.000 0.912 316 D HN 0.262 nan 8.370 nan 0.000 0.524 317 L N 0.537 121.786 121.223 0.042 0.000 2.453 317 L HA 0.323 4.665 4.340 0.003 0.000 0.261 317 L C 1.310 178.252 176.870 0.120 0.000 1.179 317 L CA -0.557 54.335 54.840 0.086 0.000 0.813 317 L CB 0.803 42.930 42.059 0.112 0.000 1.110 317 L HN -0.142 nan 8.230 nan 0.000 0.466 318 G N 0.494 109.367 108.800 0.121 0.000 2.488 318 G HA2 0.594 4.556 3.960 0.003 0.000 0.318 318 G HA3 0.594 4.556 3.960 0.003 0.000 0.318 318 G C -1.018 173.955 174.900 0.123 0.000 1.188 318 G CA -0.350 44.811 45.100 0.101 0.000 0.944 318 G HN 0.599 nan 8.290 nan 0.000 0.495 319 Q N -1.503 118.329 119.800 0.054 0.000 2.501 319 Q HA 0.654 4.996 4.340 0.003 0.000 0.288 319 Q C -0.976 175.014 176.000 -0.016 0.000 1.051 319 Q CA -0.910 54.886 55.803 -0.012 0.000 0.788 319 Q CB 2.694 31.375 28.738 -0.095 0.000 1.469 319 Q HN 0.859 nan 8.270 nan 0.000 0.416 320 A N 0.427 123.224 122.820 -0.038 0.000 2.606 320 A HA 0.382 4.704 4.320 0.003 0.000 0.293 320 A C -0.165 177.392 177.584 -0.046 0.000 1.082 320 A CA -0.564 51.456 52.037 -0.028 0.000 0.685 320 A CB 1.658 20.654 19.000 -0.006 0.000 1.284 320 A HN 0.761 nan 8.150 nan 0.000 0.408 321 K N -0.200 120.178 120.400 -0.037 0.000 2.032 321 K HA -0.074 4.247 4.320 0.003 0.000 0.209 321 K C 0.230 176.807 176.600 -0.039 0.000 1.048 321 K CA 1.517 57.781 56.287 -0.039 0.000 0.927 321 K CB -0.051 32.432 32.500 -0.029 0.000 0.712 321 K HN 0.665 nan 8.250 nan 0.000 0.441 322 R N -0.579 119.900 120.500 -0.034 0.000 2.707 322 R HA 0.418 4.760 4.340 0.003 0.000 0.272 322 R C -1.602 174.676 176.300 -0.037 0.000 1.011 322 R CA -0.925 55.151 56.100 -0.040 0.000 0.893 322 R CB 2.514 32.790 30.300 -0.041 0.000 1.233 322 R HN -0.157 nan 8.270 nan 0.000 0.464 323 V N 1.864 121.748 119.914 -0.050 0.000 2.531 323 V HA 0.411 4.532 4.120 0.003 0.000 0.301 323 V C -0.550 175.491 176.094 -0.088 0.000 1.034 323 V CA -0.851 61.418 62.300 -0.053 0.000 0.865 323 V CB 2.086 33.893 31.823 -0.027 0.000 0.995 323 V HN 0.461 nan 8.190 nan 0.000 0.424 324 V N 6.328 126.187 119.914 -0.090 0.000 2.384 324 V HA 0.583 4.704 4.120 0.003 0.000 0.287 324 V C -0.264 175.763 176.094 -0.112 0.000 1.020 324 V CA -0.306 61.935 62.300 -0.097 0.000 0.850 324 V CB 1.586 33.362 31.823 -0.078 0.000 0.987 324 V HN 0.693 nan 8.190 nan 0.000 0.436 325 I N 4.850 125.366 120.570 -0.090 0.000 2.608 325 I HA 0.585 4.757 4.170 0.003 0.000 0.295 325 I C -0.351 175.779 176.117 0.022 0.000 1.049 325 I CA -0.560 60.701 61.300 -0.065 0.000 1.063 325 I CB 2.445 40.429 38.000 -0.026 0.000 1.248 325 I HN 0.853 nan 8.210 nan 0.000 0.424 326 N N 3.136 121.807 118.700 -0.048 0.000 3.343 326 N HA 0.335 5.077 4.740 0.003 0.000 0.330 326 N C 0.266 175.443 175.510 -0.554 0.000 1.560 326 N CA -0.990 52.023 53.050 -0.063 0.000 0.752 326 N CB 0.775 39.218 38.487 -0.072 0.000 1.863 326 N HN 0.444 nan 8.380 nan 0.000 0.636 327 K N -1.072 118.984 120.400 -0.573 0.000 2.147 327 K HA -0.106 4.216 4.320 0.003 0.000 0.205 327 K C -0.341 175.956 176.600 -0.506 0.000 1.049 327 K CA 2.077 57.897 56.287 -0.779 0.000 0.936 327 K CB -0.183 32.136 32.500 -0.301 0.000 0.722 327 K HN 0.611 nan 8.250 nan 0.000 0.446 328 D N -1.442 118.765 120.400 -0.322 0.000 2.448 328 D HA 0.007 4.649 4.640 0.003 0.000 0.256 328 D C -0.262 175.924 176.300 -0.190 0.000 1.108 328 D CA 0.280 54.156 54.000 -0.207 0.000 0.848 328 D CB 1.282 42.000 40.800 -0.136 0.000 1.281 328 D HN 0.219 nan 8.370 nan 0.000 0.509 329 T N -2.471 111.948 114.554 -0.225 0.000 2.864 329 T HA 0.715 5.067 4.350 0.003 0.000 0.299 329 T C -0.606 173.887 174.700 -0.345 0.000 1.166 329 T CA -0.668 61.274 62.100 -0.263 0.000 1.007 329 T CB 2.243 70.992 68.868 -0.199 0.000 1.219 329 T HN -0.243 nan 8.240 nan 0.000 0.506 330 T N 1.561 115.782 114.554 -0.556 0.000 2.886 330 T HA 0.677 5.029 4.350 0.003 0.000 0.292 330 T C -0.918 173.469 174.700 -0.521 0.000 1.012 330 T CA -0.558 61.174 62.100 -0.614 0.000 0.982 330 T CB 1.808 70.062 68.868 -1.024 0.000 1.018 330 T HN 0.826 nan 8.240 nan 0.000 0.451 331 T N 3.313 117.705 114.554 -0.270 0.000 2.812 331 T HA 0.545 4.897 4.350 0.003 0.000 0.282 331 T C -0.068 174.591 174.700 -0.069 0.000 0.990 331 T CA -0.506 61.511 62.100 -0.139 0.000 0.960 331 T CB 0.607 69.417 68.868 -0.096 0.000 0.948 331 T HN 0.426 nan 8.240 nan 0.000 0.438 332 I N 4.136 124.707 120.570 0.003 0.000 2.325 332 I HA 0.421 4.593 4.170 0.003 0.000 0.291 332 I C -0.251 175.873 176.117 0.011 0.000 1.019 332 I CA -0.560 60.757 61.300 0.029 0.000 1.302 332 I CB 0.821 38.874 38.000 0.088 0.000 1.401 332 I HN 0.447 nan 8.210 nan 0.000 0.485 333 I N 5.708 126.276 120.570 -0.004 0.000 2.389 333 I HA 0.248 4.420 4.170 0.003 0.000 0.288 333 I C -0.781 175.330 176.117 -0.010 0.000 0.999 333 I CA -0.616 60.678 61.300 -0.010 0.000 1.129 333 I CB 1.391 39.379 38.000 -0.020 0.000 1.288 333 I HN 0.556 nan 8.210 nan 0.000 0.444 334 D N 4.679 125.075 120.400 -0.007 0.000 3.082 334 D HA -0.126 4.516 4.640 0.003 0.000 0.234 334 D C 0.381 176.677 176.300 -0.008 0.000 1.159 334 D CA 0.877 54.872 54.000 -0.008 0.000 0.875 334 D CB -0.545 40.247 40.800 -0.013 0.000 0.946 334 D HN 0.849 nan 8.370 nan 0.000 0.411 335 G N -0.225 108.575 108.800 -0.000 0.000 2.398 335 G HA2 0.342 4.304 3.960 0.003 0.000 0.246 335 G HA3 0.342 4.304 3.960 0.003 0.000 0.246 335 G C 0.976 175.875 174.900 -0.002 0.000 1.289 335 G CA -0.616 44.486 45.100 0.003 0.000 0.869 335 G HN 0.282 nan 8.290 nan 0.000 0.543 336 V N 3.028 122.940 119.914 -0.004 0.000 3.099 336 V HA 0.278 4.400 4.120 0.003 0.000 0.387 336 V C 1.414 177.510 176.094 0.004 0.000 1.358 336 V CA 0.121 62.418 62.300 -0.006 0.000 1.528 336 V CB -0.679 31.133 31.823 -0.018 0.000 1.342 336 V HN 0.757 nan 8.190 nan 0.000 0.513 337 G N 0.187 108.991 108.800 0.006 0.000 2.389 337 G HA2 0.509 4.471 3.960 0.003 0.000 0.317 337 G HA3 0.509 4.471 3.960 0.003 0.000 0.317 337 G C -0.435 174.468 174.900 0.005 0.000 1.137 337 G CA -0.539 44.565 45.100 0.008 0.000 0.870 337 G HN 0.477 nan 8.290 nan 0.000 0.496 338 E N 0.699 120.903 120.200 0.006 0.000 2.271 338 E HA 0.061 4.413 4.350 0.003 0.000 0.255 338 E C 1.111 177.713 176.600 0.002 0.000 1.177 338 E CA -0.009 56.394 56.400 0.004 0.000 0.946 338 E CB 1.295 30.998 29.700 0.005 0.000 1.009 338 E HN 0.676 nan 8.360 nan 0.000 0.451 339 E N 3.829 124.030 120.200 0.001 0.000 2.171 339 E HA -0.270 4.082 4.350 0.003 0.000 0.197 339 E C 1.663 178.263 176.600 0.000 0.000 0.997 339 E CA 1.682 58.082 56.400 0.000 0.000 0.810 339 E CB -0.042 29.658 29.700 -0.000 0.000 0.738 339 E HN 0.571 nan 8.360 nan 0.000 0.467 340 A N 0.508 123.328 122.820 0.001 0.000 1.933 340 A HA -0.035 4.287 4.320 0.003 0.000 0.218 340 A C 2.419 180.003 177.584 -0.000 0.000 1.175 340 A CA 1.995 54.032 52.037 0.000 0.000 0.628 340 A CB -0.883 18.117 19.000 0.001 0.000 0.814 340 A HN 0.407 nan 8.150 nan 0.000 0.444 341 A N -0.259 122.561 122.820 0.000 0.000 1.929 341 A HA 0.061 4.383 4.320 0.003 0.000 0.216 341 A C 2.073 179.656 177.584 -0.002 0.000 1.176 341 A CA 1.211 53.248 52.037 -0.001 0.000 0.628 341 A CB -0.503 18.498 19.000 0.000 0.000 0.816 341 A HN 0.483 nan 8.150 nan 0.000 0.444 342 I N -0.485 120.084 120.570 -0.002 0.000 2.179 342 I HA -0.316 3.856 4.170 0.003 0.000 0.242 342 I C 2.766 178.881 176.117 -0.003 0.000 1.088 342 I CA 1.508 62.807 61.300 -0.003 0.000 1.357 342 I CB -0.506 37.494 38.000 -0.001 0.000 1.051 342 I HN 0.413 nan 8.210 nan 0.000 0.409 343 Q N 0.622 120.421 119.800 -0.002 0.000 2.084 343 Q HA -0.158 4.184 4.340 0.003 0.000 0.202 343 Q C 2.394 178.393 176.000 -0.003 0.000 0.978 343 Q CA 1.663 57.464 55.803 -0.002 0.000 0.844 343 Q CB -0.476 28.261 28.738 -0.001 0.000 0.898 343 Q HN 0.656 nan 8.270 nan 0.000 0.426 344 G N 0.915 109.713 108.800 -0.003 0.000 2.442 344 G HA2 -0.275 3.687 3.960 0.003 0.000 0.219 344 G HA3 -0.275 3.687 3.960 0.003 0.000 0.219 344 G C 1.542 176.439 174.900 -0.005 0.000 1.141 344 G CA 0.380 45.478 45.100 -0.003 0.000 0.763 344 G HN 0.066 nan 8.290 nan 0.000 0.554 345 R N 0.292 120.789 120.500 -0.006 0.000 2.066 345 R HA 0.003 4.345 4.340 0.003 0.000 0.232 345 R C 2.790 179.085 176.300 -0.009 0.000 1.131 345 R CA 1.048 57.143 56.100 -0.008 0.000 0.955 345 R CB -1.026 29.268 30.300 -0.010 0.000 0.851 345 R HN 0.296 nan 8.270 nan 0.000 0.432 346 V N 1.191 121.100 119.914 -0.007 0.000 2.287 346 V HA -0.274 3.847 4.120 0.003 0.000 0.248 346 V C 2.561 178.651 176.094 -0.006 0.000 1.053 346 V CA 2.064 64.360 62.300 -0.006 0.000 1.027 346 V CB -0.962 30.859 31.823 -0.004 0.000 0.646 346 V HN 0.413 nan 8.190 nan 0.000 0.447 347 A N -1.009 121.809 122.820 -0.004 0.000 1.902 347 A HA -0.319 4.002 4.320 0.003 0.000 0.217 347 A C 2.265 179.847 177.584 -0.004 0.000 1.181 347 A CA 2.192 54.227 52.037 -0.003 0.000 0.623 347 A CB -0.594 18.405 19.000 -0.002 0.000 0.818 347 A HN 0.614 nan 8.150 nan 0.000 0.443 348 Q N -0.359 119.438 119.800 -0.006 0.000 2.084 348 Q HA -0.161 4.180 4.340 0.003 0.000 0.202 348 Q C 1.988 177.983 176.000 -0.008 0.000 0.978 348 Q CA 1.840 57.639 55.803 -0.007 0.000 0.844 348 Q CB -0.250 28.483 28.738 -0.008 0.000 0.898 348 Q HN 0.736 nan 8.270 nan 0.000 0.426 349 I N 0.005 120.569 120.570 -0.011 0.000 2.315 349 I HA -0.253 3.919 4.170 0.003 0.000 0.248 349 I C 2.638 178.749 176.117 -0.010 0.000 1.117 349 I CA 0.948 62.240 61.300 -0.013 0.000 1.404 349 I CB -0.355 37.635 38.000 -0.017 0.000 1.071 349 I HN 0.189 nan 8.210 nan 0.000 0.419 350 R N 0.724 121.219 120.500 -0.007 0.000 2.200 350 R HA -0.215 4.127 4.340 0.003 0.000 0.234 350 R C 2.377 178.675 176.300 -0.002 0.000 1.127 350 R CA 1.092 57.190 56.100 -0.004 0.000 0.989 350 R CB -0.160 30.139 30.300 -0.002 0.000 0.869 350 R HN 0.382 nan 8.270 nan 0.000 0.459 351 Q N 0.834 120.633 119.800 -0.003 0.000 2.050 351 Q HA -0.230 4.112 4.340 0.003 0.000 0.202 351 Q C 1.563 177.563 176.000 -0.001 0.000 0.980 351 Q CA 1.889 57.692 55.803 -0.001 0.000 0.840 351 Q CB 0.002 28.739 28.738 -0.002 0.000 0.898 351 Q HN 0.378 nan 8.270 nan 0.000 0.424 352 Q N 0.199 119.997 119.800 -0.003 0.000 2.291 352 Q HA 0.018 4.360 4.340 0.003 0.000 0.205 352 Q C 2.054 178.054 176.000 -0.001 0.000 0.970 352 Q CA 0.953 56.754 55.803 -0.002 0.000 0.876 352 Q CB -0.123 28.611 28.738 -0.006 0.000 0.935 352 Q HN 0.450 nan 8.270 nan 0.000 0.455 353 I N 0.676 121.245 120.570 -0.001 0.000 2.361 353 I HA -0.230 3.942 4.170 0.003 0.000 0.251 353 I C 1.621 177.742 176.117 0.006 0.000 1.133 353 I CA 0.871 62.172 61.300 0.001 0.000 1.413 353 I CB -0.177 37.824 38.000 0.001 0.000 1.073 353 I HN 0.193 nan 8.210 nan 0.000 0.424 354 E N 1.219 121.422 120.200 0.005 0.000 2.409 354 E HA -0.169 4.183 4.350 0.003 0.000 0.198 354 E C 0.953 177.559 176.600 0.009 0.000 1.024 354 E CA 0.740 57.144 56.400 0.007 0.000 0.861 354 E CB -0.107 29.596 29.700 0.006 0.000 0.788 354 E HN 0.722 nan 8.360 nan 0.000 0.521 355 E N -0.925 119.280 120.200 0.009 0.000 2.968 355 E HA 0.357 4.709 4.350 0.003 0.000 0.202 355 E C -0.089 176.519 176.600 0.014 0.000 0.979 355 E CA -0.222 56.184 56.400 0.011 0.000 1.192 355 E CB 0.576 30.282 29.700 0.010 0.000 1.059 355 E HN -0.033 nan 8.360 nan 0.000 0.470 356 A N 1.844 124.672 122.820 0.013 0.000 3.026 356 A HA 0.117 4.439 4.320 0.003 0.000 0.272 356 A C 1.400 178.998 177.584 0.024 0.000 1.782 356 A CA 0.058 52.105 52.037 0.016 0.000 1.451 356 A CB -0.835 18.171 19.000 0.009 0.000 1.081 356 A HN 0.370 nan 8.150 nan 0.000 0.611 357 T N -1.361 113.209 114.554 0.028 0.000 3.155 357 T HA 0.113 4.465 4.350 0.003 0.000 0.264 357 T C 0.794 175.516 174.700 0.036 0.000 1.160 357 T CA 0.742 62.859 62.100 0.029 0.000 1.075 357 T CB -0.642 68.242 68.868 0.027 0.000 0.921 357 T HN 1.060 nan 8.240 nan 0.000 0.533 358 S N -0.743 114.986 115.700 0.049 0.000 2.618 358 S HA 0.445 4.917 4.470 0.003 0.000 0.277 358 S C -0.296 174.348 174.600 0.074 0.000 1.138 358 S CA -0.750 57.487 58.200 0.061 0.000 0.844 358 S CB 1.756 65.002 63.200 0.077 0.000 1.127 358 S HN -0.040 nan 8.310 nan 0.000 0.474 359 D N 0.190 120.635 120.400 0.076 0.000 2.158 359 D HA -0.091 4.551 4.640 0.003 0.000 0.197 359 D C 1.261 177.639 176.300 0.130 0.000 0.995 359 D CA 1.863 55.912 54.000 0.081 0.000 0.846 359 D CB -0.289 40.552 40.800 0.068 0.000 0.941 359 D HN 0.611 nan 8.370 nan 0.000 0.456 360 Y N 1.313 121.624 120.300 0.018 0.000 2.373 360 Y HA -0.110 4.442 4.550 0.003 0.000 0.293 360 Y C 1.529 177.453 175.900 0.041 0.000 1.129 360 Y CA 1.103 59.222 58.100 0.033 0.000 1.226 360 Y CB 0.109 38.584 38.460 0.024 0.000 1.000 360 Y HN -0.048 nan 8.280 nan 0.000 0.549 361 D N -0.524 119.911 120.400 0.059 0.000 2.123 361 D HA -0.117 4.525 4.640 0.003 0.000 0.200 361 D C 2.133 178.413 176.300 -0.033 0.000 0.976 361 D CA 0.910 54.903 54.000 -0.011 0.000 0.831 361 D CB -0.070 40.752 40.800 0.038 0.000 0.974 361 D HN 0.351 nan 8.370 nan 0.000 0.469 362 R N 0.980 121.479 120.500 -0.002 0.000 2.080 362 R HA -0.157 4.185 4.340 0.003 0.000 0.236 362 R C 2.278 178.566 176.300 -0.021 0.000 1.137 362 R CA 1.300 57.399 56.100 -0.002 0.000 0.943 362 R CB -0.126 30.186 30.300 0.019 0.000 0.846 362 R HN 0.159 nan 8.270 nan 0.000 0.431 363 E N 0.643 120.824 120.200 -0.032 0.000 2.023 363 E HA -0.224 4.128 4.350 0.003 0.000 0.196 363 E C 1.702 178.247 176.600 -0.093 0.000 1.003 363 E CA 1.945 58.317 56.400 -0.046 0.000 0.809 363 E CB -0.015 29.669 29.700 -0.027 0.000 0.755 363 E HN 0.325 nan 8.360 nan 0.000 0.449 364 K N 0.413 120.706 120.400 -0.179 0.000 2.574 364 K HA -0.086 4.236 4.320 0.003 0.000 0.193 364 K C 1.368 177.905 176.600 -0.104 0.000 1.035 364 K CA 0.705 56.889 56.287 -0.172 0.000 0.982 364 K CB 0.244 32.586 32.500 -0.263 0.000 0.795 364 K HN 0.116 nan 8.250 nan 0.000 0.491 365 L N 1.542 122.721 121.223 -0.073 0.000 2.362 365 L HA -0.028 4.314 4.340 0.003 0.000 0.204 365 L C 2.784 179.635 176.870 -0.032 0.000 1.060 365 L CA 1.312 56.125 54.840 -0.046 0.000 0.827 365 L CB -0.983 41.057 42.059 -0.032 0.000 1.027 365 L HN 0.417 nan 8.230 nan 0.000 0.474 366 Q N 0.183 119.968 119.800 -0.024 0.000 2.170 366 Q HA -0.211 4.131 4.340 0.003 0.000 0.203 366 Q C 1.427 177.420 176.000 -0.012 0.000 0.976 366 Q CA 1.598 57.395 55.803 -0.010 0.000 0.858 366 Q CB -0.312 28.428 28.738 0.004 0.000 0.907 366 Q HN 0.472 nan 8.270 nan 0.000 0.433 367 E N 0.605 120.793 120.200 -0.021 0.000 2.160 367 E HA -0.166 4.186 4.350 0.003 0.000 0.195 367 E C 2.097 178.684 176.600 -0.022 0.000 0.991 367 E CA 1.208 57.596 56.400 -0.021 0.000 0.810 367 E CB 0.068 29.746 29.700 -0.036 0.000 0.742 367 E HN 0.420 nan 8.360 nan 0.000 0.466 368 R N -0.055 120.427 120.500 -0.030 0.000 2.128 368 R HA -0.028 4.313 4.340 0.003 0.000 0.211 368 R C 2.646 178.935 176.300 -0.020 0.000 1.067 368 R CA 0.875 56.957 56.100 -0.031 0.000 1.010 368 R CB -0.086 30.187 30.300 -0.044 0.000 0.922 368 R HN 0.109 nan 8.270 nan 0.000 0.457 369 V N -0.937 118.967 119.914 -0.016 0.000 2.332 369 V HA -0.144 3.978 4.120 0.003 0.000 0.248 369 V C 2.285 178.376 176.094 -0.006 0.000 1.055 369 V CA 1.921 64.215 62.300 -0.011 0.000 1.038 369 V CB -1.085 30.733 31.823 -0.008 0.000 0.651 369 V HN 0.237 nan 8.190 nan 0.000 0.450 370 A N 0.404 123.222 122.820 -0.004 0.000 2.019 370 A HA -0.142 4.180 4.320 0.003 0.000 0.219 370 A C 2.276 179.861 177.584 0.002 0.000 1.164 370 A CA 1.887 53.923 52.037 -0.001 0.000 0.644 370 A CB -0.576 18.424 19.000 -0.000 0.000 0.805 370 A HN 0.646 nan 8.150 nan 0.000 0.449 371 K N -0.606 119.796 120.400 0.003 0.000 2.283 371 K HA 0.096 4.418 4.320 0.003 0.000 0.202 371 K C 1.191 177.797 176.600 0.009 0.000 1.048 371 K CA 0.840 57.134 56.287 0.012 0.000 0.948 371 K CB -0.129 32.381 32.500 0.017 0.000 0.742 371 K HN 0.482 nan 8.250 nan 0.000 0.458 372 L N -0.886 120.338 121.223 0.001 0.000 2.609 372 L HA 0.184 4.526 4.340 0.003 0.000 0.230 372 L C 1.557 178.427 176.870 -0.000 0.000 1.087 372 L CA -0.143 54.697 54.840 -0.000 0.000 0.874 372 L CB 0.149 42.205 42.059 -0.005 0.000 1.114 372 L HN 0.072 nan 8.230 nan 0.000 0.488 373 A N 0.327 123.146 122.820 -0.001 0.000 3.334 373 A HA 0.443 4.765 4.320 0.003 0.000 0.201 373 A C 1.908 179.492 177.584 -0.000 0.000 2.125 373 A CA 0.653 52.690 52.037 -0.001 0.000 1.573 373 A CB -1.300 17.699 19.000 -0.001 0.000 1.197 373 A HN 0.144 nan 8.150 nan 0.000 0.371 374 G N -1.457 107.342 108.800 -0.001 0.000 2.422 374 G HA2 0.408 4.369 3.960 0.003 0.000 0.218 374 G HA3 0.408 4.369 3.960 0.003 0.000 0.218 374 G C 1.044 175.943 174.900 -0.002 0.000 1.140 374 G CA 1.194 46.293 45.100 -0.002 0.000 0.775 374 G HN 2.099 nan 8.290 nan 0.000 0.545 375 G N -2.055 106.745 108.800 -0.001 0.000 2.409 375 G HA2 0.149 4.111 3.960 0.003 0.000 0.421 375 G HA3 0.149 4.111 3.960 0.003 0.000 0.421 375 G C -1.135 173.763 174.900 -0.002 0.000 1.259 375 G CA -0.366 44.733 45.100 -0.001 0.000 1.011 375 G HN 0.836 nan 8.290 nan 0.000 0.497 376 V N 0.345 120.256 119.914 -0.005 0.000 2.656 376 V HA 0.913 5.035 4.120 0.003 0.000 0.307 376 V C 0.598 176.685 176.094 -0.011 0.000 1.051 376 V CA 0.291 62.587 62.300 -0.007 0.000 0.893 376 V CB 1.215 33.034 31.823 -0.006 0.000 0.999 376 V HN 2.357 nan 8.190 nan 0.000 0.426 377 A N 3.644 126.456 122.820 -0.013 0.000 2.587 377 A HA 0.964 5.286 4.320 0.003 0.000 0.293 377 A C -1.660 175.913 177.584 -0.018 0.000 1.087 377 A CA -0.603 51.425 52.037 -0.016 0.000 0.692 377 A CB 2.296 21.287 19.000 -0.015 0.000 1.291 377 A HN 0.765 nan 8.150 nan 0.000 0.407 378 V N 1.499 121.402 119.914 -0.019 0.000 2.668 378 V HA 0.383 4.505 4.120 0.003 0.000 0.304 378 V C -0.844 175.238 176.094 -0.021 0.000 1.071 378 V CA -0.140 62.148 62.300 -0.020 0.000 0.894 378 V CB 1.780 33.591 31.823 -0.020 0.000 1.008 378 V HN 0.737 nan 8.190 nan 0.000 0.425 379 I N 4.288 124.844 120.570 -0.023 0.000 2.291 379 I HA 0.339 4.510 4.170 0.003 0.000 0.290 379 I C 0.211 176.316 176.117 -0.020 0.000 1.050 379 I CA -0.412 60.874 61.300 -0.023 0.000 1.245 379 I CB 0.933 38.916 38.000 -0.028 0.000 1.405 379 I HN 0.519 nan 8.210 nan 0.000 0.478 380 K N 5.796 126.186 120.400 -0.017 0.000 2.292 380 K HA 0.332 4.653 4.320 0.003 0.000 0.290 380 K C -0.567 176.025 176.600 -0.014 0.000 1.083 380 K CA -0.382 55.896 56.287 -0.015 0.000 0.918 380 K CB 0.965 33.456 32.500 -0.014 0.000 1.089 380 K HN 0.335 nan 8.250 nan 0.000 0.473 381 V N 2.485 122.391 119.914 -0.013 0.000 2.614 381 V HA 0.301 4.423 4.120 0.003 0.000 0.291 381 V C 0.860 176.949 176.094 -0.009 0.000 1.049 381 V CA -0.464 61.829 62.300 -0.011 0.000 1.038 381 V CB 1.338 33.155 31.823 -0.011 0.000 0.980 381 V HN 0.891 nan 8.190 nan 0.000 0.481 382 G N 2.380 111.174 108.800 -0.009 0.000 2.448 382 G HA2 0.852 4.814 3.960 0.003 0.000 0.324 382 G HA3 0.852 4.814 3.960 0.003 0.000 0.324 382 G C -0.804 174.092 174.900 -0.006 0.000 1.203 382 G CA -0.057 45.038 45.100 -0.008 0.000 0.954 382 G HN 1.282 nan 8.290 nan 0.000 0.480 383 A N -0.269 122.548 122.820 -0.005 0.000 2.567 383 A HA 0.758 5.080 4.320 0.003 0.000 0.291 383 A C 0.420 178.002 177.584 -0.004 0.000 1.048 383 A CA 0.358 52.392 52.037 -0.005 0.000 0.661 383 A CB 0.580 19.578 19.000 -0.004 0.000 1.288 383 A HN 1.935 nan 8.150 nan 0.000 0.424 384 A N -0.199 122.618 122.820 -0.004 0.000 2.081 384 A HA 0.500 4.822 4.320 0.003 0.000 0.214 384 A C 1.153 178.735 177.584 -0.003 0.000 1.158 384 A CA 2.076 54.111 52.037 -0.004 0.000 0.724 384 A CB -0.342 18.655 19.000 -0.004 0.000 0.826 384 A HN 2.130 nan 8.150 nan 0.000 0.463 385 T N -4.966 109.586 114.554 -0.002 0.000 2.838 385 T HA 0.482 4.834 4.350 0.003 0.000 0.292 385 T C 0.415 175.115 174.700 -0.001 0.000 1.113 385 T CA -0.080 62.019 62.100 -0.002 0.000 1.008 385 T CB 1.725 70.592 68.868 -0.002 0.000 1.259 385 T HN 0.097 nan 8.240 nan 0.000 0.520 386 E N -0.254 119.946 120.200 -0.000 0.000 2.112 386 E HA -0.079 4.273 4.350 0.003 0.000 0.190 386 E C 2.208 178.809 176.600 0.002 0.000 0.979 386 E CA 1.258 57.659 56.400 0.001 0.000 0.814 386 E CB -0.131 29.570 29.700 0.002 0.000 0.762 386 E HN 0.585 nan 8.360 nan 0.000 0.460 387 V N -0.569 119.346 119.914 0.001 0.000 2.469 387 V HA -0.240 3.882 4.120 0.003 0.000 0.251 387 V C 2.117 178.211 176.094 0.001 0.000 1.064 387 V CA 2.212 64.512 62.300 0.001 0.000 1.066 387 V CB -0.668 31.155 31.823 -0.000 0.000 0.667 387 V HN 0.208 nan 8.190 nan 0.000 0.461 388 E N -0.208 119.991 120.200 -0.000 0.000 2.072 388 E HA -0.211 4.141 4.350 0.003 0.000 0.190 388 E C 2.127 178.726 176.600 -0.001 0.000 0.982 388 E CA 1.399 57.799 56.400 -0.001 0.000 0.803 388 E CB -0.172 29.526 29.700 -0.002 0.000 0.755 388 E HN 0.548 nan 8.360 nan 0.000 0.453 389 M N 1.298 120.898 119.600 -0.000 0.000 2.106 389 M HA -0.181 4.301 4.480 0.003 0.000 0.259 389 M C 1.630 177.931 176.300 0.002 0.000 1.068 389 M CA 1.775 57.075 55.300 -0.000 0.000 1.100 389 M CB 0.047 32.646 32.600 -0.000 0.000 1.351 389 M HN -0.118 nan 8.290 nan 0.000 0.404 390 K N -0.572 119.830 120.400 0.003 0.000 2.365 390 K HA -0.149 4.173 4.320 0.003 0.000 0.199 390 K C 1.669 178.272 176.600 0.006 0.000 1.045 390 K CA 1.325 57.616 56.287 0.006 0.000 0.962 390 K CB -0.049 32.455 32.500 0.007 0.000 0.759 390 K HN 0.583 nan 8.250 nan 0.000 0.469 391 E N 1.038 121.241 120.200 0.004 0.000 2.099 391 E HA -0.123 4.229 4.350 0.003 0.000 0.191 391 E C 1.794 178.396 176.600 0.003 0.000 0.962 391 E CA 0.904 57.307 56.400 0.004 0.000 0.826 391 E CB -0.123 29.579 29.700 0.003 0.000 0.788 391 E HN -0.077 nan 8.360 nan 0.000 0.461 392 K N 1.362 121.763 120.400 0.001 0.000 2.009 392 K HA -0.139 4.182 4.320 0.003 0.000 0.210 392 K C 2.203 178.802 176.600 -0.002 0.000 1.049 392 K CA 2.138 58.423 56.287 -0.002 0.000 0.929 392 K CB -0.269 32.228 32.500 -0.003 0.000 0.714 392 K HN 0.148 nan 8.250 nan 0.000 0.440 393 K N -0.491 119.909 120.400 -0.001 0.000 2.097 393 K HA -0.113 4.209 4.320 0.003 0.000 0.206 393 K C 1.924 178.526 176.600 0.003 0.000 1.049 393 K CA 1.265 57.551 56.287 -0.001 0.000 0.933 393 K CB -0.259 32.241 32.500 0.001 0.000 0.717 393 K HN 0.262 nan 8.250 nan 0.000 0.442 394 A N 1.504 124.330 122.820 0.010 0.000 1.877 394 A HA -0.162 4.160 4.320 0.003 0.000 0.216 394 A C 2.071 179.667 177.584 0.019 0.000 1.186 394 A CA 1.390 53.439 52.037 0.020 0.000 0.620 394 A CB -0.469 18.543 19.000 0.020 0.000 0.822 394 A HN 0.305 nan 8.150 nan 0.000 0.443 395 R N -0.638 119.868 120.500 0.010 0.000 2.105 395 R HA -0.100 4.242 4.340 0.003 0.000 0.239 395 R C 2.060 178.359 176.300 -0.001 0.000 1.135 395 R CA 1.476 57.580 56.100 0.007 0.000 0.967 395 R CB -0.639 29.663 30.300 0.003 0.000 0.861 395 R HN 0.416 nan 8.270 nan 0.000 0.442 396 V N 1.080 120.988 119.914 -0.010 0.000 2.261 396 V HA -0.265 3.857 4.120 0.003 0.000 0.246 396 V C 2.337 178.402 176.094 -0.048 0.000 1.047 396 V CA 2.054 64.339 62.300 -0.026 0.000 1.015 396 V CB -0.504 31.303 31.823 -0.026 0.000 0.642 396 V HN 0.401 nan 8.190 nan 0.000 0.446 397 E N -0.002 120.171 120.200 -0.046 0.000 2.077 397 E HA -0.300 4.051 4.350 0.003 0.000 0.193 397 E C 1.945 178.503 176.600 -0.070 0.000 0.989 397 E CA 1.665 58.005 56.400 -0.099 0.000 0.800 397 E CB -0.148 29.537 29.700 -0.025 0.000 0.746 397 E HN 0.666 nan 8.360 nan 0.000 0.452 398 D N -0.430 119.997 120.400 0.046 0.000 2.144 398 D HA -0.093 4.549 4.640 0.003 0.000 0.199 398 D C 1.721 178.060 176.300 0.065 0.000 0.984 398 D CA 1.376 55.440 54.000 0.108 0.000 0.834 398 D CB -0.042 40.803 40.800 0.075 0.000 0.955 398 D HN 0.272 nan 8.370 nan 0.000 0.465 399 A N 0.291 123.119 122.820 0.014 0.000 2.014 399 A HA -0.023 4.299 4.320 0.003 0.000 0.218 399 A C 2.094 179.666 177.584 -0.020 0.000 1.163 399 A CA 0.575 52.614 52.037 0.003 0.000 0.652 399 A CB -0.578 18.417 19.000 -0.007 0.000 0.808 399 A HN 0.394 nan 8.150 nan 0.000 0.449 400 L N -0.756 120.419 121.223 -0.080 0.000 2.109 400 L HA -0.112 4.230 4.340 0.003 0.000 0.207 400 L C 2.180 178.970 176.870 -0.134 0.000 1.086 400 L CA 2.000 56.758 54.840 -0.136 0.000 0.760 400 L CB -1.143 40.791 42.059 -0.208 0.000 0.910 400 L HN 0.474 nan 8.230 nan 0.000 0.437 401 H N 0.130 119.206 119.070 0.010 0.000 2.357 401 H HA 0.001 4.559 4.556 0.003 0.000 0.301 401 H C 2.203 177.540 175.328 0.014 0.000 1.082 401 H CA 1.366 57.422 56.048 0.013 0.000 1.342 401 H CB -0.259 29.513 29.762 0.015 0.000 1.389 401 H HN 0.434 nan 8.280 nan 0.000 0.511 402 A N 0.913 123.807 122.820 0.124 0.000 1.930 402 A HA -0.160 4.162 4.320 0.003 0.000 0.217 402 A C 2.646 180.258 177.584 0.047 0.000 1.175 402 A CA 2.188 54.270 52.037 0.074 0.000 0.627 402 A CB -0.840 18.192 19.000 0.055 0.000 0.815 402 A HN 0.593 nan 8.150 nan 0.000 0.443 403 T N -1.776 112.796 114.554 0.030 0.000 2.777 403 T HA -0.138 4.214 4.350 0.003 0.000 0.266 403 T C 1.976 176.690 174.700 0.023 0.000 1.040 403 T CA 1.167 63.277 62.100 0.017 0.000 1.141 403 T CB -0.365 68.504 68.868 0.001 0.000 0.868 403 T HN 0.502 nan 8.240 nan 0.000 0.444 404 R N 1.504 122.023 120.500 0.033 0.000 2.083 404 R HA 0.038 4.380 4.340 0.003 0.000 0.237 404 R C 2.989 179.316 176.300 0.046 0.000 1.137 404 R CA 1.443 57.568 56.100 0.042 0.000 0.951 404 R CB -0.809 29.530 30.300 0.066 0.000 0.851 404 R HN 0.531 nan 8.270 nan 0.000 0.434 405 A N 1.023 123.876 122.820 0.056 0.000 1.978 405 A HA -0.134 4.188 4.320 0.003 0.000 0.220 405 A C 2.322 179.925 177.584 0.032 0.000 1.170 405 A CA 1.737 53.802 52.037 0.047 0.000 0.636 405 A CB -0.558 18.475 19.000 0.056 0.000 0.810 405 A HN 0.433 nan 8.150 nan 0.000 0.448 406 A N -0.709 122.127 122.820 0.027 0.000 1.897 406 A HA 0.056 4.378 4.320 0.003 0.000 0.215 406 A C 2.162 179.755 177.584 0.015 0.000 1.181 406 A CA 1.547 53.595 52.037 0.018 0.000 0.620 406 A CB -0.834 18.175 19.000 0.015 0.000 0.821 406 A HN 0.376 nan 8.150 nan 0.000 0.443 407 V N 1.293 121.216 119.914 0.016 0.000 2.490 407 V HA -0.269 3.853 4.120 0.003 0.000 0.250 407 V C 2.523 178.625 176.094 0.013 0.000 1.061 407 V CA 2.297 64.605 62.300 0.013 0.000 1.064 407 V CB -0.878 30.953 31.823 0.013 0.000 0.670 407 V HN 0.917 nan 8.190 nan 0.000 0.461 408 E N -0.024 120.186 120.200 0.017 0.000 2.190 408 E HA -0.135 4.217 4.350 0.003 0.000 0.191 408 E C 1.879 178.486 176.600 0.012 0.000 0.978 408 E CA 1.087 57.496 56.400 0.015 0.000 0.839 408 E CB -0.018 29.694 29.700 0.020 0.000 0.787 408 E HN 0.644 nan 8.360 nan 0.000 0.473 409 E N 0.223 120.430 120.200 0.011 0.000 2.641 409 E HA 0.216 4.568 4.350 0.003 0.000 0.224 409 E C 0.273 176.877 176.600 0.005 0.000 0.951 409 E CA 0.353 56.757 56.400 0.006 0.000 1.102 409 E CB 1.005 30.708 29.700 0.004 0.000 1.091 409 E HN 0.352 nan 8.360 nan 0.000 0.507 410 G N 0.411 109.215 108.800 0.007 0.000 2.587 410 G HA2 -0.195 3.767 3.960 0.003 0.000 0.212 410 G HA3 -0.195 3.767 3.960 0.003 0.000 0.212 410 G C -0.510 174.395 174.900 0.007 0.000 1.327 410 G CA -0.462 44.642 45.100 0.007 0.000 0.898 410 G HN 0.643 nan 8.290 nan 0.000 0.551 411 V N -2.618 117.300 119.914 0.006 0.000 2.962 411 V HA 0.984 5.106 4.120 0.003 0.000 0.313 411 V C 0.525 176.623 176.094 0.007 0.000 1.099 411 V CA 0.072 62.376 62.300 0.007 0.000 0.971 411 V CB 1.228 33.055 31.823 0.006 0.000 1.028 411 V HN 2.444 nan 8.190 nan 0.000 0.430 412 V N -0.733 119.185 119.914 0.007 0.000 3.167 412 V HA 1.013 5.134 4.120 0.003 0.000 0.310 412 V C 0.507 176.606 176.094 0.009 0.000 1.207 412 V CA -0.754 61.551 62.300 0.009 0.000 1.059 412 V CB 1.312 33.141 31.823 0.009 0.000 1.079 412 V HN 2.082 nan 8.190 nan 0.000 0.446 413 A N 0.808 123.635 122.820 0.012 0.000 2.548 413 A HA 0.603 4.925 4.320 0.003 0.000 0.247 413 A C 0.853 178.442 177.584 0.008 0.000 1.067 413 A CA 0.721 52.764 52.037 0.011 0.000 0.757 413 A CB -0.724 18.288 19.000 0.019 0.000 0.996 413 A HN 1.928 nan 8.150 nan 0.000 0.504 414 G N 0.843 109.643 108.800 0.001 0.000 2.509 414 G HA2 0.523 4.485 3.960 0.003 0.000 0.269 414 G HA3 0.523 4.485 3.960 0.003 0.000 0.269 414 G C 1.156 176.056 174.900 -0.000 0.000 1.416 414 G CA -0.083 45.016 45.100 -0.001 0.000 1.052 414 G HN 2.220 nan 8.290 nan 0.000 0.542 415 G N -2.051 106.748 108.800 -0.002 0.000 2.203 415 G HA2 0.180 4.142 3.960 0.003 0.000 0.263 415 G HA3 0.180 4.142 3.960 0.003 0.000 0.263 415 G C 1.565 176.474 174.900 0.015 0.000 1.012 415 G CA 1.270 46.373 45.100 0.005 0.000 0.749 415 G HN 2.481 nan 8.290 nan 0.000 0.512 416 G N -2.355 106.453 108.800 0.014 0.000 2.189 416 G HA2 -0.215 3.746 3.960 0.003 0.000 0.267 416 G HA3 -0.215 3.746 3.960 0.003 0.000 0.267 416 G C 1.484 176.397 174.900 0.021 0.000 0.975 416 G CA 1.495 46.606 45.100 0.018 0.000 0.644 416 G HN 1.672 nan 8.290 nan 0.000 0.537 417 V N 0.594 120.522 119.914 0.023 0.000 2.594 417 V HA 0.100 4.222 4.120 0.003 0.000 0.253 417 V C 3.038 179.152 176.094 0.033 0.000 1.069 417 V CA 2.678 64.997 62.300 0.032 0.000 1.082 417 V CB -0.584 31.260 31.823 0.035 0.000 0.680 417 V HN 1.128 nan 8.190 nan 0.000 0.469 418 A N -0.189 122.646 122.820 0.025 0.000 1.948 418 A HA -0.225 4.096 4.320 0.003 0.000 0.220 418 A C 2.123 179.720 177.584 0.021 0.000 1.177 418 A CA 2.243 54.294 52.037 0.023 0.000 0.636 418 A CB -0.548 18.462 19.000 0.017 0.000 0.815 418 A HN 0.580 nan 8.150 nan 0.000 0.449 419 L N -0.696 120.538 121.223 0.019 0.000 1.989 419 L HA -0.226 4.116 4.340 0.003 0.000 0.211 419 L C 2.527 179.409 176.870 0.021 0.000 1.071 419 L CA 1.698 56.548 54.840 0.016 0.000 0.749 419 L CB -0.601 41.467 42.059 0.015 0.000 0.890 419 L HN 0.389 nan 8.230 nan 0.000 0.431 420 I N -0.924 119.663 120.570 0.027 0.000 2.208 420 I HA -0.265 3.907 4.170 0.003 0.000 0.245 420 I C 2.811 178.949 176.117 0.034 0.000 1.097 420 I CA 0.914 62.233 61.300 0.032 0.000 1.363 420 I CB -0.391 37.634 38.000 0.041 0.000 1.051 420 I HN 0.267 nan 8.210 nan 0.000 0.413 421 R N 0.731 121.253 120.500 0.037 0.000 2.070 421 R HA -0.120 4.222 4.340 0.003 0.000 0.233 421 R C 2.391 178.706 176.300 0.025 0.000 1.137 421 R CA 1.832 57.954 56.100 0.036 0.000 0.945 421 R CB -1.293 29.032 30.300 0.041 0.000 0.845 421 R HN 0.458 nan 8.270 nan 0.000 0.430 422 V N -1.254 118.672 119.914 0.020 0.000 2.626 422 V HA 0.008 4.130 4.120 0.003 0.000 0.252 422 V C 2.300 178.401 176.094 0.012 0.000 1.067 422 V CA 1.650 63.958 62.300 0.014 0.000 1.081 422 V CB -1.025 30.803 31.823 0.009 0.000 0.686 422 V HN 0.173 nan 8.190 nan 0.000 0.468 423 A N 1.778 124.607 122.820 0.014 0.000 1.969 423 A HA -0.134 4.188 4.320 0.003 0.000 0.218 423 A C 2.601 180.193 177.584 0.013 0.000 1.169 423 A CA 2.298 54.342 52.037 0.013 0.000 0.635 423 A CB -0.978 18.030 19.000 0.015 0.000 0.810 423 A HN 0.958 nan 8.150 nan 0.000 0.445 424 S N 0.398 116.108 115.700 0.016 0.000 2.370 424 S HA -0.237 4.234 4.470 0.003 0.000 0.226 424 S C 1.779 176.386 174.600 0.011 0.000 1.033 424 S CA 1.622 59.831 58.200 0.015 0.000 1.011 424 S CB -0.505 62.707 63.200 0.020 0.000 0.852 424 S HN 0.607 nan 8.310 nan 0.000 0.457 425 K N 0.972 121.379 120.400 0.010 0.000 2.360 425 K HA 0.100 4.422 4.320 0.003 0.000 0.201 425 K C 1.533 178.137 176.600 0.006 0.000 1.046 425 K CA 1.038 57.330 56.287 0.008 0.000 0.945 425 K CB -0.430 32.074 32.500 0.007 0.000 0.750 425 K HN 0.490 nan 8.250 nan 0.000 0.464 426 L N -0.431 120.796 121.223 0.006 0.000 2.592 426 L HA 0.139 4.481 4.340 0.003 0.000 0.227 426 L C 2.171 179.045 176.870 0.005 0.000 1.127 426 L CA -0.191 54.652 54.840 0.005 0.000 0.884 426 L CB -0.278 41.784 42.059 0.005 0.000 1.065 426 L HN 0.062 nan 8.230 nan 0.000 0.457 427 A N 0.832 123.655 122.820 0.006 0.000 1.917 427 A HA -0.234 4.088 4.320 0.003 0.000 0.219 427 A C 1.854 179.441 177.584 0.004 0.000 1.182 427 A CA 2.021 54.061 52.037 0.005 0.000 0.633 427 A CB -0.354 18.649 19.000 0.005 0.000 0.819 427 A HN 0.449 nan 8.150 nan 0.000 0.448 428 D N -1.021 119.381 120.400 0.003 0.000 2.347 428 D HA 0.054 4.696 4.640 0.003 0.000 0.213 428 D C 0.456 176.758 176.300 0.003 0.000 0.985 428 D CA -0.026 53.975 54.000 0.003 0.000 0.879 428 D CB -0.107 40.695 40.800 0.002 0.000 0.919 428 D HN 0.360 nan 8.370 nan 0.000 0.526 429 L N 1.885 123.110 121.223 0.003 0.000 2.456 429 L HA 0.096 4.438 4.340 0.003 0.000 0.272 429 L C 0.044 176.915 176.870 0.003 0.000 1.189 429 L CA 0.466 55.308 54.840 0.003 0.000 0.846 429 L CB 0.318 42.379 42.059 0.003 0.000 1.111 429 L HN -0.229 nan 8.230 nan 0.000 0.475 430 R N 2.872 123.374 120.500 0.003 0.000 2.808 430 R HA 0.667 5.009 4.340 0.003 0.000 0.272 430 R C -0.183 176.118 176.300 0.003 0.000 0.995 430 R CA -0.310 55.792 56.100 0.003 0.000 0.917 430 R CB 1.365 31.666 30.300 0.003 0.000 1.217 430 R HN 0.839 nan 8.270 nan 0.000 0.471 431 G N -0.232 108.570 108.800 0.003 0.000 2.736 431 G HA2 0.177 4.139 3.960 0.003 0.000 0.229 431 G HA3 0.177 4.139 3.960 0.003 0.000 0.229 431 G C 0.144 175.046 174.900 0.003 0.000 1.380 431 G CA -0.223 44.879 45.100 0.003 0.000 1.040 431 G HN 0.427 nan 8.290 nan 0.000 0.568 432 Q N -0.318 119.484 119.800 0.003 0.000 2.378 432 Q HA 0.088 4.430 4.340 0.003 0.000 0.205 432 Q C 0.055 176.058 176.000 0.004 0.000 0.954 432 Q CA 0.894 56.699 55.803 0.003 0.000 0.901 432 Q CB 0.056 28.796 28.738 0.004 0.000 0.981 432 Q HN 0.605 nan 8.270 nan 0.000 0.483 433 N N -2.320 116.382 118.700 0.004 0.000 3.116 433 N HA 0.005 4.747 4.740 0.003 0.000 0.244 433 N C -0.252 175.261 175.510 0.005 0.000 1.485 433 N CA -0.548 52.505 53.050 0.004 0.000 0.884 433 N CB 0.515 39.005 38.487 0.005 0.000 1.415 433 N HN -0.241 nan 8.380 nan 0.000 0.524 434 E N -0.280 119.923 120.200 0.005 0.000 2.150 434 E HA -0.072 4.279 4.350 0.003 0.000 0.193 434 E C 0.132 176.735 176.600 0.006 0.000 0.985 434 E CA 1.613 58.016 56.400 0.005 0.000 0.814 434 E CB -0.271 29.432 29.700 0.005 0.000 0.752 434 E HN 0.652 nan 8.360 nan 0.000 0.466 435 D N -0.045 120.358 120.400 0.006 0.000 2.123 435 D HA -0.193 4.449 4.640 0.003 0.000 0.196 435 D C 1.812 178.116 176.300 0.007 0.000 0.992 435 D CA 1.277 55.282 54.000 0.007 0.000 0.833 435 D CB -0.108 40.697 40.800 0.008 0.000 0.954 435 D HN 0.283 nan 8.370 nan 0.000 0.455 436 Q N -0.108 119.696 119.800 0.006 0.000 2.123 436 Q HA -0.070 4.272 4.340 0.003 0.000 0.199 436 Q C 1.666 177.669 176.000 0.005 0.000 0.966 436 Q CA 0.674 56.481 55.803 0.006 0.000 0.845 436 Q CB 0.021 28.762 28.738 0.005 0.000 0.907 436 Q HN 0.293 nan 8.270 nan 0.000 0.439 437 N N 0.171 118.874 118.700 0.005 0.000 2.120 437 N HA -0.129 4.613 4.740 0.003 0.000 0.188 437 N C 1.872 177.385 175.510 0.006 0.000 1.024 437 N CA 1.065 54.118 53.050 0.005 0.000 0.852 437 N CB -0.378 38.112 38.487 0.004 0.000 1.003 437 N HN 0.049 nan 8.380 nan 0.000 0.424 438 V N 0.959 120.877 119.914 0.006 0.000 2.343 438 V HA -0.148 3.973 4.120 0.003 0.000 0.247 438 V C 2.468 178.566 176.094 0.008 0.000 1.051 438 V CA 2.030 64.334 62.300 0.007 0.000 1.036 438 V CB -1.280 30.548 31.823 0.007 0.000 0.654 438 V HN 0.347 nan 8.190 nan 0.000 0.451 439 G N -0.001 108.804 108.800 0.008 0.000 2.446 439 G HA2 -0.243 3.719 3.960 0.003 0.000 0.217 439 G HA3 -0.243 3.719 3.960 0.003 0.000 0.217 439 G C 1.581 176.485 174.900 0.007 0.000 1.168 439 G CA 1.183 46.288 45.100 0.008 0.000 0.771 439 G HN 0.478 nan 8.290 nan 0.000 0.551 440 I N 0.294 120.868 120.570 0.006 0.000 2.118 440 I HA -0.190 3.982 4.170 0.003 0.000 0.241 440 I C 2.736 178.857 176.117 0.006 0.000 1.070 440 I CA 1.419 62.722 61.300 0.005 0.000 1.327 440 I CB -0.087 37.916 38.000 0.005 0.000 1.034 440 I HN 0.004 nan 8.210 nan 0.000 0.405 441 K N 0.289 120.693 120.400 0.007 0.000 2.211 441 K HA -0.034 4.288 4.320 0.003 0.000 0.203 441 K C 1.894 178.499 176.600 0.008 0.000 1.050 441 K CA 0.723 57.014 56.287 0.007 0.000 0.945 441 K CB -0.570 31.934 32.500 0.007 0.000 0.732 441 K HN 0.132 nan 8.250 nan 0.000 0.451 442 V N 0.770 120.689 119.914 0.009 0.000 2.343 442 V HA -0.249 3.873 4.120 0.003 0.000 0.247 442 V C 2.164 178.264 176.094 0.010 0.000 1.051 442 V CA 1.947 64.252 62.300 0.010 0.000 1.036 442 V CB -0.691 31.138 31.823 0.010 0.000 0.654 442 V HN 0.325 nan 8.190 nan 0.000 0.451 443 A N 0.039 122.864 122.820 0.009 0.000 1.877 443 A HA -0.163 4.159 4.320 0.003 0.000 0.216 443 A C 2.178 179.767 177.584 0.009 0.000 1.186 443 A CA 1.869 53.911 52.037 0.009 0.000 0.620 443 A CB -0.549 18.455 19.000 0.007 0.000 0.822 443 A HN 0.508 nan 8.150 nan 0.000 0.443 444 L N -1.214 120.014 121.223 0.009 0.000 2.046 444 L HA -0.188 4.154 4.340 0.003 0.000 0.208 444 L C 2.779 179.656 176.870 0.012 0.000 1.077 444 L CA 1.837 56.683 54.840 0.010 0.000 0.747 444 L CB -0.651 41.414 42.059 0.010 0.000 0.896 444 L HN 0.444 nan 8.230 nan 0.000 0.432 445 R N 0.497 121.004 120.500 0.011 0.000 2.105 445 R HA -0.175 4.167 4.340 0.003 0.000 0.239 445 R C 2.240 178.547 176.300 0.013 0.000 1.135 445 R CA 1.483 57.590 56.100 0.011 0.000 0.967 445 R CB -0.141 30.165 30.300 0.010 0.000 0.861 445 R HN 0.381 nan 8.270 nan 0.000 0.442 446 A N 0.061 122.888 122.820 0.013 0.000 2.021 446 A HA -0.028 4.294 4.320 0.003 0.000 0.216 446 A C 1.986 179.579 177.584 0.015 0.000 1.163 446 A CA 0.641 52.686 52.037 0.014 0.000 0.676 446 A CB -0.176 18.833 19.000 0.014 0.000 0.818 446 A HN 0.297 nan 8.150 nan 0.000 0.453 447 M N -0.371 119.237 119.600 0.014 0.000 2.446 447 M HA -0.117 4.365 4.480 0.003 0.000 0.263 447 M C 1.508 177.819 176.300 0.018 0.000 1.066 447 M CA 1.023 56.332 55.300 0.015 0.000 1.087 447 M CB -0.218 32.391 32.600 0.014 0.000 1.406 447 M HN 0.447 nan 8.290 nan 0.000 0.459 448 E N 0.172 120.383 120.200 0.019 0.000 2.358 448 E HA -0.051 4.301 4.350 0.003 0.000 0.195 448 E C 2.076 178.688 176.600 0.020 0.000 1.010 448 E CA 0.618 57.031 56.400 0.021 0.000 0.856 448 E CB 0.019 29.731 29.700 0.019 0.000 0.795 448 E HN 0.514 nan 8.360 nan 0.000 0.504 449 A N 2.188 125.019 122.820 0.018 0.000 1.908 449 A HA -0.127 4.195 4.320 0.003 0.000 0.218 449 A C -0.355 177.240 177.584 0.019 0.000 1.181 449 A CA 1.139 53.186 52.037 0.017 0.000 0.627 449 A CB -1.326 17.684 19.000 0.017 0.000 0.818 449 A HN 0.138 nan 8.150 nan 0.000 0.445 450 P HA -0.170 nan 4.420 nan 0.000 0.215 450 P C 1.836 179.150 177.300 0.023 0.000 1.157 450 P CA 0.857 63.969 63.100 0.021 0.000 0.868 450 P CB -0.142 31.571 31.700 0.021 0.000 0.788 451 L N 0.045 121.283 121.223 0.025 0.000 1.994 451 L HA -0.164 4.178 4.340 0.003 0.000 0.208 451 L C 2.171 179.057 176.870 0.026 0.000 1.071 451 L CA 2.119 56.977 54.840 0.031 0.000 0.745 451 L CB -1.046 41.034 42.059 0.035 0.000 0.892 451 L HN -0.053 nan 8.230 nan 0.000 0.431 452 R N -0.699 119.812 120.500 0.019 0.000 2.103 452 R HA -0.194 4.147 4.340 0.003 0.000 0.242 452 R C 2.184 178.492 176.300 0.014 0.000 1.142 452 R CA 1.542 57.650 56.100 0.013 0.000 0.960 452 R CB -0.175 30.133 30.300 0.012 0.000 0.858 452 R HN 0.537 nan 8.270 nan 0.000 0.439 453 Q N 0.257 120.066 119.800 0.016 0.000 2.187 453 Q HA -0.016 4.326 4.340 0.003 0.000 0.199 453 Q C 2.197 178.208 176.000 0.018 0.000 0.957 453 Q CA 0.983 56.796 55.803 0.016 0.000 0.857 453 Q CB 0.019 28.766 28.738 0.015 0.000 0.929 453 Q HN 0.412 nan 8.270 nan 0.000 0.453 454 I N -0.035 120.549 120.570 0.022 0.000 2.142 454 I HA -0.258 3.914 4.170 0.003 0.000 0.240 454 I C 2.219 178.356 176.117 0.034 0.000 1.078 454 I CA 0.978 62.294 61.300 0.026 0.000 1.343 454 I CB -0.319 37.699 38.000 0.030 0.000 1.046 454 I HN -0.048 nan 8.210 nan 0.000 0.405 455 V N 0.539 120.476 119.914 0.038 0.000 2.515 455 V HA -0.243 3.878 4.120 0.003 0.000 0.250 455 V C 2.287 178.395 176.094 0.024 0.000 1.058 455 V CA 1.359 63.683 62.300 0.040 0.000 1.064 455 V CB -0.474 31.354 31.823 0.008 0.000 0.675 455 V HN 0.350 nan 8.190 nan 0.000 0.461 456 L N 0.575 121.808 121.223 0.017 0.000 2.027 456 L HA -0.103 4.239 4.340 0.003 0.000 0.206 456 L C 2.199 179.078 176.870 0.014 0.000 1.074 456 L CA 1.910 56.758 54.840 0.013 0.000 0.745 456 L CB -0.960 41.105 42.059 0.010 0.000 0.898 456 L HN 0.295 nan 8.230 nan 0.000 0.433 457 N N -1.030 117.679 118.700 0.015 0.000 2.272 457 N HA -0.209 4.533 4.740 0.003 0.000 0.185 457 N C 1.677 177.196 175.510 0.015 0.000 1.014 457 N CA 1.731 54.789 53.050 0.013 0.000 0.870 457 N CB -0.232 38.262 38.487 0.012 0.000 0.975 457 N HN 0.447 nan 8.380 nan 0.000 0.433 458 C N -0.452 118.862 119.300 0.023 0.000 2.514 458 C HA 0.146 4.608 4.460 0.003 0.000 0.271 458 C C 1.798 176.805 174.990 0.028 0.000 1.399 458 C CA 0.534 59.570 59.018 0.029 0.000 1.765 458 C CB -0.805 26.966 27.740 0.051 0.000 1.893 458 C HN 0.666 nan 8.230 nan 0.000 0.531 459 G N 0.842 109.656 108.800 0.023 0.000 2.159 459 G HA2 -0.207 3.754 3.960 0.003 0.000 0.256 459 G HA3 -0.207 3.754 3.960 0.003 0.000 0.256 459 G C -0.016 174.896 174.900 0.021 0.000 0.977 459 G CA 0.658 45.769 45.100 0.019 0.000 0.652 459 G HN 0.508 nan 8.290 nan 0.000 0.531 460 E N 0.362 120.578 120.200 0.027 0.000 4.034 460 E HA 0.589 4.941 4.350 0.003 0.000 0.297 460 E C 0.587 177.182 176.600 -0.008 0.000 1.372 460 E CA -0.238 56.170 56.400 0.014 0.000 1.555 460 E CB 0.319 30.033 29.700 0.025 0.000 1.488 460 E HN 0.356 nan 8.360 nan 0.000 0.782 461 E N 0.875 121.055 120.200 -0.034 0.000 2.101 461 E HA 0.170 4.522 4.350 0.003 0.000 0.260 461 E C -2.005 174.570 176.600 -0.041 0.000 0.897 461 E CA -1.589 54.794 56.400 -0.028 0.000 0.744 461 E CB 1.361 31.049 29.700 -0.021 0.000 1.140 461 E HN 0.226 nan 8.360 nan 0.000 0.419 462 P HA -0.256 nan 4.420 nan 0.000 0.216 462 P C 1.604 178.893 177.300 -0.019 0.000 1.157 462 P CA 1.566 64.654 63.100 -0.021 0.000 0.880 462 P CB 0.235 31.932 31.700 -0.005 0.000 0.791 463 S N -1.366 114.326 115.700 -0.013 0.000 2.382 463 S HA -0.123 4.349 4.470 0.003 0.000 0.228 463 S C 1.996 176.591 174.600 -0.010 0.000 1.027 463 S CA 1.507 59.703 58.200 -0.007 0.000 0.991 463 S CB -1.735 61.462 63.200 -0.004 0.000 0.823 463 S HN -0.038 nan 8.310 nan 0.000 0.469 464 V N 1.850 121.753 119.914 -0.019 0.000 2.270 464 V HA -0.114 4.008 4.120 0.003 0.000 0.245 464 V C 2.666 178.751 176.094 -0.014 0.000 1.043 464 V CA 1.613 63.902 62.300 -0.018 0.000 1.014 464 V CB -0.892 30.918 31.823 -0.022 0.000 0.645 464 V HN 0.447 nan 8.190 nan 0.000 0.447 465 V N 0.451 120.329 119.914 -0.061 0.000 2.407 465 V HA -0.230 3.891 4.120 0.003 0.000 0.248 465 V C 2.724 178.832 176.094 0.023 0.000 1.055 465 V CA 1.877 64.131 62.300 -0.078 0.000 1.049 465 V CB -1.218 30.424 31.823 -0.300 0.000 0.662 465 V HN 0.542 nan 8.190 nan 0.000 0.455 466 A N 0.693 123.520 122.820 0.011 0.000 1.883 466 A HA -0.238 4.084 4.320 0.003 0.000 0.217 466 A C 2.062 179.672 177.584 0.043 0.000 1.186 466 A CA 2.225 54.281 52.037 0.033 0.000 0.624 466 A CB -0.669 18.342 19.000 0.019 0.000 0.822 466 A HN 0.581 nan 8.150 nan 0.000 0.444 467 N N -0.256 118.459 118.700 0.026 0.000 2.270 467 N HA -0.101 4.640 4.740 0.003 0.000 0.181 467 N C 1.927 177.450 175.510 0.020 0.000 1.016 467 N CA 1.969 55.031 53.050 0.019 0.000 0.870 467 N CB -0.738 37.751 38.487 0.003 0.000 0.979 467 N HN 0.731 nan 8.380 nan 0.000 0.431 468 T N -1.534 113.034 114.554 0.024 0.000 2.737 468 T HA -0.024 4.327 4.350 0.003 0.000 0.265 468 T C 2.097 176.878 174.700 0.136 0.000 1.038 468 T CA 0.976 63.075 62.100 -0.001 0.000 1.144 468 T CB -0.835 67.946 68.868 -0.145 0.000 0.866 468 T HN -0.099 nan 8.240 nan 0.000 0.434 469 V N 2.016 122.064 119.914 0.223 0.000 2.490 469 V HA -0.133 3.989 4.120 0.003 0.000 0.250 469 V C 2.693 178.911 176.094 0.207 0.000 1.061 469 V CA 1.730 64.210 62.300 0.299 0.000 1.064 469 V CB -0.663 31.287 31.823 0.212 0.000 0.670 469 V HN 0.525 nan 8.190 nan 0.000 0.461 470 K N 0.024 120.492 120.400 0.114 0.000 2.365 470 K HA -0.032 4.290 4.320 0.003 0.000 0.199 470 K C 2.103 178.725 176.600 0.036 0.000 1.045 470 K CA 1.056 57.384 56.287 0.068 0.000 0.962 470 K CB -0.284 32.241 32.500 0.042 0.000 0.759 470 K HN 0.575 nan 8.250 nan 0.000 0.469 471 G N 0.972 109.784 108.800 0.020 0.000 2.459 471 G HA2 -0.017 3.945 3.960 0.003 0.000 0.213 471 G HA3 -0.017 3.945 3.960 0.003 0.000 0.213 471 G C 0.718 175.558 174.900 -0.100 0.000 1.155 471 G CA 0.254 45.330 45.100 -0.039 0.000 0.811 471 G HN 0.326 nan 8.290 nan 0.000 0.534 472 G N -0.269 108.444 108.800 -0.146 0.000 2.572 472 G HA2 0.473 4.435 3.960 0.003 0.000 0.261 472 G HA3 0.473 4.435 3.960 0.003 0.000 0.261 472 G C -0.992 173.853 174.900 -0.093 0.000 1.197 472 G CA -0.332 44.537 45.100 -0.385 0.000 0.870 472 G HN 0.185 nan 8.290 nan 0.000 0.548 473 D N -0.928 119.411 120.400 -0.102 0.000 2.477 473 D HA 0.564 5.206 4.640 0.003 0.000 0.234 473 D C 0.790 177.131 176.300 0.068 0.000 1.048 473 D CA 0.699 54.702 54.000 0.005 0.000 0.959 473 D CB 2.000 42.781 40.800 -0.032 0.000 1.408 473 D HN 0.881 nan 8.370 nan 0.000 0.496 474 G N 1.397 110.237 108.800 0.067 0.000 2.547 474 G HA2 -0.304 3.658 3.960 0.003 0.000 0.271 474 G HA3 -0.304 3.658 3.960 0.003 0.000 0.271 474 G C 0.440 175.404 174.900 0.107 0.000 1.209 474 G CA -0.186 44.959 45.100 0.075 0.000 0.959 474 G HN 0.555 nan 8.290 nan 0.000 0.563 475 N N 0.367 119.128 118.700 0.103 0.000 2.501 475 N HA 0.043 4.785 4.740 0.003 0.000 0.195 475 N C 0.612 176.206 175.510 0.139 0.000 1.213 475 N CA 0.471 53.580 53.050 0.098 0.000 0.864 475 N CB -0.123 38.402 38.487 0.063 0.000 0.999 475 N HN 0.502 nan 8.380 nan 0.000 0.454 476 Y N 1.179 121.510 120.300 0.052 0.000 2.712 476 Y HA 0.230 4.782 4.550 0.003 0.000 0.333 476 Y C 0.957 176.922 175.900 0.109 0.000 1.225 476 Y CA 0.583 58.730 58.100 0.079 0.000 1.499 476 Y CB 0.256 38.758 38.460 0.069 0.000 1.288 476 Y HN 0.082 nan 8.280 nan 0.000 0.575 477 G N 3.697 112.234 108.800 -0.439 0.000 2.650 477 G HA2 0.263 4.225 3.960 0.003 0.000 0.310 477 G HA3 0.263 4.225 3.960 0.003 0.000 0.310 477 G C -2.493 172.257 174.900 -0.250 0.000 1.270 477 G CA -0.915 44.024 45.100 -0.269 0.000 0.810 477 G HN 0.568 nan 8.290 nan 0.000 0.493 478 Y N 1.373 121.509 120.300 -0.274 0.000 2.341 478 Y HA 0.589 5.141 4.550 0.003 0.000 0.338 478 Y C -0.125 175.596 175.900 -0.298 0.000 0.965 478 Y CA -1.466 56.368 58.100 -0.444 0.000 1.108 478 Y CB 1.755 39.905 38.460 -0.517 0.000 1.180 478 Y HN 0.415 nan 8.280 nan 0.000 0.458 479 N N 4.798 123.024 118.700 -0.791 0.000 2.508 479 N HA 0.121 4.863 4.740 0.003 0.000 0.253 479 N C 0.344 175.282 175.510 -0.953 0.000 1.145 479 N CA 0.539 53.198 53.050 -0.652 0.000 0.973 479 N CB 0.934 39.165 38.487 -0.426 0.000 1.305 479 N HN 0.856 nan 8.380 nan 0.000 0.506 480 A N 2.704 125.154 122.820 -0.616 0.000 2.239 480 A HA 0.131 4.453 4.320 0.003 0.000 0.209 480 A C 1.680 179.142 177.584 -0.204 0.000 1.171 480 A CA 1.106 52.944 52.037 -0.331 0.000 0.768 480 A CB -0.117 18.871 19.000 -0.020 0.000 0.790 480 A HN 0.666 nan 8.150 nan 0.000 0.478 481 A N -0.733 121.950 122.820 -0.228 0.000 1.944 481 A HA 0.119 4.441 4.320 0.003 0.000 0.207 481 A C 2.274 179.765 177.584 -0.155 0.000 1.265 481 A CA 1.634 53.583 52.037 -0.147 0.000 0.712 481 A CB -0.722 18.210 19.000 -0.115 0.000 0.915 481 A HN 0.656 nan 8.150 nan 0.000 0.470 482 T N -2.835 111.596 114.554 -0.205 0.000 3.054 482 T HA 0.150 4.501 4.350 0.003 0.000 0.259 482 T C 0.215 174.808 174.700 -0.178 0.000 1.092 482 T CA 0.991 62.992 62.100 -0.164 0.000 1.121 482 T CB -0.326 68.454 68.868 -0.147 0.000 0.912 482 T HN 0.552 nan 8.240 nan 0.000 0.489 483 E N 1.447 121.462 120.200 -0.308 0.000 2.310 483 E HA -0.111 4.241 4.350 0.003 0.000 0.260 483 E C -0.299 176.196 176.600 -0.175 0.000 1.101 483 E CA 0.569 56.825 56.400 -0.240 0.000 0.751 483 E CB -1.824 27.857 29.700 -0.032 0.000 1.285 483 E HN 0.968 nan 8.360 nan 0.000 0.400 484 E N -0.761 119.188 120.200 -0.418 0.000 2.447 484 E HA 0.529 4.881 4.350 0.003 0.000 0.279 484 E C -1.285 175.134 176.600 -0.302 0.000 1.053 484 E CA -0.922 55.383 56.400 -0.158 0.000 0.840 484 E CB 1.072 30.747 29.700 -0.040 0.000 1.409 484 E HN 0.039 nan 8.360 nan 0.000 0.461 485 Y N -0.546 119.793 120.300 0.065 0.000 2.487 485 Y HA 0.772 5.324 4.550 0.003 0.000 0.337 485 Y C 0.767 176.641 175.900 -0.043 0.000 1.076 485 Y CA 0.436 58.521 58.100 -0.026 0.000 1.115 485 Y CB 2.441 40.934 38.460 0.055 0.000 1.235 485 Y HN 0.900 nan 8.280 nan 0.000 0.468 486 G N 0.856 109.651 108.800 -0.008 0.000 2.325 486 G HA2 0.071 4.033 3.960 0.003 0.000 0.295 486 G HA3 0.071 4.033 3.960 0.003 0.000 0.295 486 G C -1.832 173.086 174.900 0.030 0.000 1.274 486 G CA -1.299 43.854 45.100 0.087 0.000 0.857 486 G HN 0.498 nan 8.290 nan 0.000 0.499 487 N N 0.902 119.658 118.700 0.093 0.000 2.452 487 N HA 0.105 4.847 4.740 0.003 0.000 0.266 487 N C 1.874 177.388 175.510 0.007 0.000 1.209 487 N CA -0.193 52.899 53.050 0.069 0.000 0.929 487 N CB 0.537 39.069 38.487 0.074 0.000 1.063 487 N HN 0.377 nan 8.380 nan 0.000 0.472 488 M N 3.441 123.036 119.600 -0.008 0.000 2.202 488 M HA -0.175 4.307 4.480 0.003 0.000 0.262 488 M C 1.245 177.534 176.300 -0.018 0.000 1.063 488 M CA 1.093 56.376 55.300 -0.029 0.000 1.097 488 M CB -0.612 31.977 32.600 -0.020 0.000 1.382 488 M HN 0.587 nan 8.290 nan 0.000 0.413 489 I N 0.146 120.716 120.570 0.000 0.000 2.202 489 I HA -0.212 3.960 4.170 0.003 0.000 0.242 489 I C 1.551 177.666 176.117 -0.003 0.000 1.091 489 I CA 1.525 62.825 61.300 0.001 0.000 1.368 489 I CB -1.697 36.310 38.000 0.010 0.000 1.058 489 I HN 0.225 nan 8.210 nan 0.000 0.410 490 D N 0.501 120.902 120.400 0.001 0.000 2.269 490 D HA -0.067 4.575 4.640 0.003 0.000 0.208 490 D C 2.132 178.423 176.300 -0.014 0.000 0.963 490 D CA 0.635 54.635 54.000 -0.001 0.000 0.864 490 D CB -0.083 40.722 40.800 0.009 0.000 0.936 490 D HN 0.254 nan 8.370 nan 0.000 0.505 491 M N -0.635 118.950 119.600 -0.026 0.000 2.659 491 M HA 0.132 4.614 4.480 0.003 0.000 0.243 491 M C 1.270 177.542 176.300 -0.048 0.000 1.111 491 M CA 0.595 55.866 55.300 -0.048 0.000 1.070 491 M CB 0.328 32.882 32.600 -0.077 0.000 1.525 491 M HN 0.194 nan 8.290 nan 0.000 0.517 492 G N 1.581 110.361 108.800 -0.032 0.000 2.179 492 G HA2 -0.246 3.716 3.960 0.003 0.000 0.260 492 G HA3 -0.246 3.716 3.960 0.003 0.000 0.260 492 G C 0.154 175.037 174.900 -0.028 0.000 0.977 492 G CA -0.301 44.782 45.100 -0.028 0.000 0.641 492 G HN 0.508 nan 8.290 nan 0.000 0.533 493 I N 1.636 122.185 120.570 -0.033 0.000 2.281 493 I HA 0.455 4.627 4.170 0.003 0.000 0.293 493 I C 0.508 176.614 176.117 -0.019 0.000 1.085 493 I CA -0.201 61.079 61.300 -0.034 0.000 1.257 493 I CB 0.423 38.392 38.000 -0.051 0.000 1.430 493 I HN -0.015 nan 8.210 nan 0.000 0.489 494 L N 5.532 126.748 121.223 -0.013 0.000 2.341 494 L HA 0.594 4.936 4.340 0.003 0.000 0.267 494 L C -0.592 176.277 176.870 -0.002 0.000 1.009 494 L CA -0.792 54.045 54.840 -0.005 0.000 0.819 494 L CB 2.277 44.334 42.059 -0.003 0.000 1.323 494 L HN 0.434 nan 8.230 nan 0.000 0.425 495 D N 1.449 121.851 120.400 0.003 0.000 2.481 495 D HA 0.353 4.995 4.640 0.003 0.000 0.244 495 D C -2.564 173.741 176.300 0.009 0.000 1.057 495 D CA -1.333 52.671 54.000 0.007 0.000 0.848 495 D CB 2.553 43.358 40.800 0.009 0.000 1.388 495 D HN 0.104 nan 8.370 nan 0.000 0.475 496 P HA 0.045 nan 4.420 nan 0.000 0.263 496 P C 0.837 178.145 177.300 0.012 0.000 1.195 496 P CA 0.079 63.188 63.100 0.014 0.000 0.762 496 P CB 0.582 32.295 31.700 0.021 0.000 0.799 497 T N 2.885 117.444 114.554 0.009 0.000 2.665 497 T HA -0.232 4.120 4.350 0.003 0.000 0.268 497 T C 1.629 176.329 174.700 0.002 0.000 1.035 497 T CA 1.544 63.647 62.100 0.004 0.000 1.151 497 T CB -0.318 68.551 68.868 0.002 0.000 0.862 497 T HN 0.487 nan 8.240 nan 0.000 0.438 498 K N 0.901 121.305 120.400 0.007 0.000 2.063 498 K HA -0.127 4.195 4.320 0.003 0.000 0.208 498 K C 2.384 178.992 176.600 0.014 0.000 1.048 498 K CA 1.617 57.908 56.287 0.007 0.000 0.928 498 K CB -0.293 32.218 32.500 0.019 0.000 0.713 498 K HN 0.387 nan 8.250 nan 0.000 0.442 499 V N -1.656 118.273 119.914 0.024 0.000 2.379 499 V HA -0.145 3.977 4.120 0.003 0.000 0.245 499 V C 1.891 178.001 176.094 0.026 0.000 1.044 499 V CA 2.059 64.380 62.300 0.036 0.000 1.036 499 V CB -0.987 30.860 31.823 0.040 0.000 0.664 499 V HN 0.236 nan 8.190 nan 0.000 0.453 500 T N 0.418 114.980 114.554 0.013 0.000 2.643 500 T HA -0.148 4.204 4.350 0.003 0.000 0.264 500 T C 2.128 176.821 174.700 -0.012 0.000 1.045 500 T CA 2.029 64.132 62.100 0.006 0.000 1.155 500 T CB -0.439 68.432 68.868 0.005 0.000 0.863 500 T HN 0.402 nan 8.240 nan 0.000 0.420 501 R N 1.166 121.651 120.500 -0.025 0.000 2.081 501 R HA -0.045 4.297 4.340 0.003 0.000 0.235 501 R C 2.524 178.758 176.300 -0.111 0.000 1.131 501 R CA 1.734 57.801 56.100 -0.055 0.000 0.960 501 R CB -0.816 29.456 30.300 -0.047 0.000 0.856 501 R HN 0.343 nan 8.270 nan 0.000 0.436 502 S N 0.650 116.282 115.700 -0.113 0.000 2.355 502 S HA -0.051 4.421 4.470 0.003 0.000 0.222 502 S C 2.095 176.594 174.600 -0.169 0.000 1.031 502 S CA 1.069 59.124 58.200 -0.242 0.000 0.993 502 S CB -0.324 62.842 63.200 -0.057 0.000 0.859 502 S HN 0.527 nan 8.310 nan 0.000 0.453 503 A N 2.188 125.022 122.820 0.023 0.000 1.908 503 A HA -0.078 4.244 4.320 0.003 0.000 0.218 503 A C 2.101 179.709 177.584 0.039 0.000 1.181 503 A CA 1.290 53.380 52.037 0.089 0.000 0.627 503 A CB -0.829 18.211 19.000 0.066 0.000 0.818 503 A HN 0.434 nan 8.150 nan 0.000 0.445 504 L N -0.353 120.862 121.223 -0.014 0.000 2.046 504 L HA -0.200 4.142 4.340 0.003 0.000 0.208 504 L C 2.389 179.232 176.870 -0.046 0.000 1.077 504 L CA 2.387 57.215 54.840 -0.021 0.000 0.747 504 L CB -1.132 40.912 42.059 -0.026 0.000 0.896 504 L HN 0.552 nan 8.230 nan 0.000 0.432 505 Q N -1.429 118.293 119.800 -0.131 0.000 2.083 505 Q HA -0.199 4.143 4.340 0.003 0.000 0.198 505 Q C 2.063 178.001 176.000 -0.105 0.000 0.969 505 Q CA 1.524 57.224 55.803 -0.171 0.000 0.838 505 Q CB -0.161 28.394 28.738 -0.306 0.000 0.900 505 Q HN 0.489 nan 8.270 nan 0.000 0.436 506 Y N 0.293 120.594 120.300 0.001 0.000 2.242 506 Y HA -0.138 4.414 4.550 0.003 0.000 0.291 506 Y C 2.357 178.258 175.900 0.001 0.000 1.137 506 Y CA 0.751 58.851 58.100 -0.000 0.000 1.181 506 Y CB -0.883 37.577 38.460 -0.002 0.000 0.989 506 Y HN 0.123 nan 8.280 nan 0.000 0.527 507 A N 0.320 123.226 122.820 0.143 0.000 1.883 507 A HA -0.160 4.162 4.320 0.003 0.000 0.217 507 A C 2.531 180.148 177.584 0.055 0.000 1.186 507 A CA 2.171 54.256 52.037 0.080 0.000 0.624 507 A CB -1.298 17.736 19.000 0.056 0.000 0.822 507 A HN 0.389 nan 8.150 nan 0.000 0.444 508 A N -0.916 121.926 122.820 0.037 0.000 1.908 508 A HA -0.124 4.198 4.320 0.003 0.000 0.218 508 A C 2.488 180.092 177.584 0.033 0.000 1.181 508 A CA 2.314 54.365 52.037 0.023 0.000 0.627 508 A CB -1.010 17.993 19.000 0.004 0.000 0.818 508 A HN 0.580 nan 8.150 nan 0.000 0.445 509 S N -0.740 114.990 115.700 0.051 0.000 2.343 509 S HA -0.136 4.336 4.470 0.003 0.000 0.219 509 S C 1.935 176.567 174.600 0.053 0.000 1.033 509 S CA 1.810 60.047 58.200 0.061 0.000 1.014 509 S CB -0.546 62.718 63.200 0.107 0.000 0.915 509 S HN 0.306 nan 8.310 nan 0.000 0.435 510 V N 2.091 122.042 119.914 0.062 0.000 2.358 510 V HA -0.072 4.050 4.120 0.003 0.000 0.246 510 V C 2.834 178.945 176.094 0.029 0.000 1.047 510 V CA 1.756 64.079 62.300 0.039 0.000 1.035 510 V CB -1.308 30.537 31.823 0.036 0.000 0.658 510 V HN 0.613 nan 8.190 nan 0.000 0.452 511 A N 0.511 123.350 122.820 0.031 0.000 1.898 511 A HA -0.036 4.286 4.320 0.003 0.000 0.216 511 A C 2.397 179.993 177.584 0.021 0.000 1.181 511 A CA 1.764 53.815 52.037 0.024 0.000 0.620 511 A CB -1.144 17.871 19.000 0.025 0.000 0.819 511 A HN 0.521 nan 8.150 nan 0.000 0.442 512 G N -0.382 108.431 108.800 0.022 0.000 2.443 512 G HA2 -0.079 3.882 3.960 0.003 0.000 0.219 512 G HA3 -0.079 3.882 3.960 0.003 0.000 0.219 512 G C 1.529 176.439 174.900 0.017 0.000 1.131 512 G CA 0.948 46.059 45.100 0.018 0.000 0.775 512 G HN 0.422 nan 8.290 nan 0.000 0.547 513 L N -0.409 120.825 121.223 0.018 0.000 2.023 513 L HA 0.059 4.401 4.340 0.003 0.000 0.205 513 L C 2.859 179.735 176.870 0.011 0.000 1.073 513 L CA 1.191 56.039 54.840 0.013 0.000 0.745 513 L CB -0.366 41.701 42.059 0.013 0.000 0.900 513 L HN 0.230 nan 8.230 nan 0.000 0.435 514 M N 0.725 120.332 119.600 0.012 0.000 2.149 514 M HA -0.228 4.253 4.480 0.003 0.000 0.261 514 M C 2.287 178.595 176.300 0.013 0.000 1.064 514 M CA 1.890 57.197 55.300 0.011 0.000 1.102 514 M CB -0.230 32.377 32.600 0.012 0.000 1.369 514 M HN 0.333 nan 8.290 nan 0.000 0.408 515 I N -1.702 118.876 120.570 0.015 0.000 2.700 515 I HA -0.170 4.002 4.170 0.003 0.000 0.261 515 I C 1.929 178.056 176.117 0.016 0.000 1.219 515 I CA 1.614 62.924 61.300 0.016 0.000 1.463 515 I CB -1.412 36.598 38.000 0.016 0.000 1.092 515 I HN 0.353 nan 8.210 nan 0.000 0.452 516 T N -1.697 112.865 114.554 0.014 0.000 3.113 516 T HA 0.006 4.358 4.350 0.003 0.000 0.263 516 T C 0.932 175.640 174.700 0.013 0.000 1.143 516 T CA 0.392 62.500 62.100 0.013 0.000 1.090 516 T CB -1.167 67.708 68.868 0.011 0.000 0.922 516 T HN 0.358 nan 8.240 nan 0.000 0.521 517 T N 2.967 117.528 114.554 0.012 0.000 2.761 517 T HA 0.179 4.531 4.350 0.003 0.000 0.287 517 T C 0.746 175.457 174.700 0.017 0.000 0.931 517 T CA -0.009 62.096 62.100 0.008 0.000 1.164 517 T CB 1.028 69.901 68.868 0.009 0.000 0.876 517 T HN 0.302 nan 8.240 nan 0.000 0.534 518 E N 1.209 121.419 120.200 0.016 0.000 2.447 518 E HA 0.207 4.559 4.350 0.003 0.000 0.204 518 E C 0.093 176.697 176.600 0.008 0.000 0.977 518 E CA -0.024 56.401 56.400 0.042 0.000 0.950 518 E CB 0.457 30.199 29.700 0.070 0.000 0.975 518 E HN 0.654 nan 8.360 nan 0.000 0.496 519 C N -0.067 119.178 119.300 -0.092 0.000 2.985 519 C HA 0.689 5.151 4.460 0.003 0.000 0.314 519 C C -1.577 173.306 174.990 -0.177 0.000 1.215 519 C CA -0.755 58.090 59.018 -0.289 0.000 1.414 519 C CB 0.625 27.987 27.740 -0.631 0.000 1.842 519 C HN 0.258 nan 8.230 nan 0.000 0.477 520 M N 4.567 124.085 119.600 -0.136 0.000 2.326 520 M HA 0.614 5.096 4.480 0.003 0.000 0.306 520 M C -1.154 175.160 176.300 0.022 0.000 1.054 520 M CA -0.511 54.788 55.300 -0.003 0.000 0.922 520 M CB 2.059 34.770 32.600 0.184 0.000 1.632 520 M HN 0.390 nan 8.290 nan 0.000 0.436 521 V N 1.359 121.230 119.914 -0.073 0.000 2.588 521 V HA 0.842 4.964 4.120 0.003 0.000 0.304 521 V C -0.389 175.605 176.094 -0.166 0.000 1.042 521 V CA -0.451 61.806 62.300 -0.072 0.000 0.877 521 V CB 2.096 33.878 31.823 -0.068 0.000 0.996 521 V HN 0.931 nan 8.190 nan 0.000 0.425 522 T N 1.766 116.214 114.554 -0.178 0.000 2.830 522 T HA 0.335 4.687 4.350 0.003 0.000 0.322 522 T C -1.522 173.108 174.700 -0.118 0.000 1.501 522 T CA -0.580 61.381 62.100 -0.231 0.000 1.036 522 T CB 1.795 70.375 68.868 -0.481 0.000 1.379 522 T HN 0.660 nan 8.240 nan 0.000 0.493 523 D N 2.040 122.384 120.400 -0.093 0.000 2.423 523 D HA 0.255 4.896 4.640 0.003 0.000 0.238 523 D C 0.543 176.834 176.300 -0.016 0.000 1.142 523 D CA 0.190 54.165 54.000 -0.042 0.000 0.884 523 D CB 0.345 41.120 40.800 -0.041 0.000 1.199 523 D HN 0.463 nan 8.370 nan 0.000 0.438 524 L N 3.351 124.584 121.223 0.016 0.000 2.573 524 L HA 0.048 4.390 4.340 0.003 0.000 0.290 524 L C -1.571 175.315 176.870 0.027 0.000 1.247 524 L CA -1.109 53.754 54.840 0.039 0.000 0.876 524 L CB -0.291 41.789 42.059 0.035 0.000 1.123 524 L HN 0.279 nan 8.230 nan 0.000 0.505 525 P HA 0.326 nan 4.420 nan 0.000 0.268 525 P C -0.525 176.786 177.300 0.019 0.000 1.205 525 P CA 0.076 63.197 63.100 0.035 0.000 0.771 525 P CB 1.042 32.776 31.700 0.058 0.000 0.858 526 K N 0.000 120.406 120.400 0.009 0.000 2.780 526 K HA 0.000 4.322 4.320 0.003 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543