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 1ss8_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 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 1.604 124.424 122.820 0.001 0.000 2.587 3 A HA 0.474 4.794 4.320 -0.000 0.000 0.233 3 A C 0.295 177.881 177.584 0.003 0.000 1.049 3 A CA 0.580 52.621 52.037 0.007 0.000 0.754 3 A CB -0.140 18.866 19.000 0.010 0.000 0.977 3 A HN 0.632 nan 8.150 nan 0.000 0.509 4 K N 1.305 121.712 120.400 0.012 0.000 2.238 4 K HA 0.456 4.775 4.320 -0.000 0.000 0.239 4 K C -1.108 175.516 176.600 0.039 0.000 0.987 4 K CA -0.735 55.559 56.287 0.010 0.000 0.857 4 K CB 1.458 33.965 32.500 0.011 0.000 1.154 4 K HN 0.722 nan 8.250 nan 0.000 0.439 5 D N 0.941 121.372 120.400 0.051 0.000 2.308 5 D HA 0.360 5.000 4.640 -0.000 0.000 0.242 5 D C -1.236 175.204 176.300 0.233 0.000 1.059 5 D CA -0.573 53.513 54.000 0.143 0.000 0.830 5 D CB 1.288 42.187 40.800 0.164 0.000 1.161 5 D HN 0.056 nan 8.370 nan 0.000 0.494 6 V N 4.157 124.173 119.914 0.170 0.000 2.540 6 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 6 V C 0.126 176.160 176.094 -0.101 0.000 1.035 6 V CA -0.760 61.568 62.300 0.046 0.000 0.873 6 V CB 1.916 33.738 31.823 -0.002 0.000 0.992 6 V HN 0.409 nan 8.190 nan 0.000 0.428 7 K N 3.075 123.264 120.400 -0.350 0.000 2.435 7 K HA 0.762 5.082 4.320 -0.000 0.000 0.251 7 K C -1.797 174.437 176.600 -0.610 0.000 0.954 7 K CA -0.588 55.434 56.287 -0.440 0.000 0.820 7 K CB 2.634 34.713 32.500 -0.701 0.000 1.292 7 K HN 0.452 nan 8.250 nan 0.000 0.436 8 F N -0.212 119.673 119.950 -0.108 0.000 2.588 8 F HA 0.397 4.924 4.527 -0.000 0.000 0.314 8 F C 1.066 176.827 175.800 -0.065 0.000 1.069 8 F CA 0.146 58.109 58.000 -0.061 0.000 0.931 8 F CB 1.891 40.866 39.000 -0.042 0.000 1.260 8 F HN 0.817 nan 8.300 nan 0.000 0.465 9 G N 2.363 111.255 108.800 0.153 0.000 2.661 9 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.327 9 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.327 9 G C 1.011 175.927 174.900 0.025 0.000 1.320 9 G CA 1.061 46.208 45.100 0.077 0.000 0.997 9 G HN 0.816 nan 8.290 nan 0.000 0.543 10 N N 0.862 119.572 118.700 0.017 0.000 2.149 10 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 10 N C 1.626 177.121 175.510 -0.025 0.000 1.019 10 N CA 1.355 54.404 53.050 -0.003 0.000 0.857 10 N CB -0.208 38.279 38.487 -0.001 0.000 0.997 10 N HN 0.527 nan 8.380 nan 0.000 0.426 11 D N 0.999 121.379 120.400 -0.034 0.000 2.116 11 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 11 D C 1.991 178.205 176.300 -0.143 0.000 0.998 11 D CA 1.284 55.233 54.000 -0.085 0.000 0.836 11 D CB -0.463 40.278 40.800 -0.099 0.000 0.951 11 D HN 0.326 nan 8.370 nan 0.000 0.449 12 A N 0.579 123.312 122.820 -0.146 0.000 1.898 12 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 12 A C 2.368 179.905 177.584 -0.079 0.000 1.181 12 A CA 2.072 54.007 52.037 -0.170 0.000 0.620 12 A CB -1.057 17.856 19.000 -0.146 0.000 0.819 12 A HN 0.305 nan 8.150 nan 0.000 0.442 13 G N -0.048 108.725 108.800 -0.045 0.000 2.433 13 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 13 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 13 G C 1.711 176.600 174.900 -0.018 0.000 1.186 13 G CA 2.177 47.266 45.100 -0.019 0.000 0.779 13 G HN 1.076 nan 8.290 nan 0.000 0.543 14 V N -0.200 119.699 119.914 -0.025 0.000 2.392 14 V HA -0.130 3.989 4.120 -0.000 0.000 0.249 14 V C 2.488 178.576 176.094 -0.009 0.000 1.059 14 V CA 2.495 64.786 62.300 -0.015 0.000 1.051 14 V CB -0.499 31.314 31.823 -0.015 0.000 0.658 14 V HN 0.217 nan 8.190 nan 0.000 0.455 15 K N 0.044 120.430 120.400 -0.025 0.000 2.032 15 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 15 K C 2.291 178.915 176.600 0.041 0.000 1.048 15 K CA 2.193 58.490 56.287 0.015 0.000 0.927 15 K CB -0.556 31.958 32.500 0.024 0.000 0.712 15 K HN 0.533 nan 8.250 nan 0.000 0.441 16 M N 0.554 120.174 119.600 0.033 0.000 2.117 16 M HA -0.178 4.301 4.480 -0.000 0.000 0.262 16 M C 2.328 178.643 176.300 0.027 0.000 1.065 16 M CA 1.136 56.459 55.300 0.038 0.000 1.114 16 M CB -0.426 32.193 32.600 0.030 0.000 1.361 16 M HN 0.042 nan 8.290 nan 0.000 0.408 17 L N 0.680 121.913 121.223 0.017 0.000 2.042 17 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 17 L C 2.433 179.314 176.870 0.017 0.000 1.076 17 L CA 1.930 56.779 54.840 0.015 0.000 0.749 17 L CB -0.494 41.571 42.059 0.010 0.000 0.893 17 L HN 0.167 nan 8.230 nan 0.000 0.432 18 R N -0.776 119.736 120.500 0.019 0.000 2.152 18 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 18 R C 2.138 178.451 176.300 0.023 0.000 1.117 18 R CA 0.993 57.105 56.100 0.020 0.000 0.981 18 R CB -0.752 29.561 30.300 0.023 0.000 0.870 18 R HN 0.594 nan 8.270 nan 0.000 0.451 19 G N 0.285 109.102 108.800 0.028 0.000 2.408 19 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 19 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 19 G C 1.441 176.353 174.900 0.019 0.000 1.156 19 G CA 0.223 45.339 45.100 0.027 0.000 0.793 19 G HN 0.092 nan 8.290 nan 0.000 0.535 20 V N 1.627 121.553 119.914 0.019 0.000 2.427 20 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 20 V C 2.615 178.717 176.094 0.014 0.000 1.051 20 V CA 1.618 63.928 62.300 0.016 0.000 1.048 20 V CB -0.434 31.399 31.823 0.017 0.000 0.666 20 V HN 0.293 nan 8.190 nan 0.000 0.456 21 N N 0.454 119.162 118.700 0.014 0.000 2.104 21 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 21 N C 1.809 177.325 175.510 0.011 0.000 1.024 21 N CA 1.448 54.505 53.050 0.011 0.000 0.853 21 N CB -0.492 38.002 38.487 0.011 0.000 1.008 21 N HN 0.366 nan 8.380 nan 0.000 0.424 22 V N 1.511 121.432 119.914 0.012 0.000 2.343 22 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 22 V C 2.366 178.465 176.094 0.008 0.000 1.051 22 V CA 1.014 63.320 62.300 0.010 0.000 1.036 22 V CB -0.525 31.305 31.823 0.011 0.000 0.654 22 V HN 0.184 nan 8.190 nan 0.000 0.451 23 L N 0.976 122.204 121.223 0.008 0.000 1.988 23 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 23 L C 2.469 179.343 176.870 0.007 0.000 1.071 23 L CA 2.533 57.377 54.840 0.006 0.000 0.744 23 L CB -1.034 41.028 42.059 0.006 0.000 0.893 23 L HN 0.187 nan 8.230 nan 0.000 0.433 24 A N -0.731 122.094 122.820 0.008 0.000 1.902 24 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 24 A C 1.974 179.563 177.584 0.007 0.000 1.181 24 A CA 1.934 53.976 52.037 0.008 0.000 0.623 24 A CB -0.973 18.033 19.000 0.010 0.000 0.818 24 A HN 0.592 nan 8.150 nan 0.000 0.443 25 D N 0.011 120.415 120.400 0.007 0.000 2.178 25 D HA 0.001 4.641 4.640 -0.000 0.000 0.202 25 D C 2.124 178.428 176.300 0.006 0.000 0.974 25 D CA 1.336 55.340 54.000 0.006 0.000 0.841 25 D CB -0.353 40.451 40.800 0.006 0.000 0.953 25 D HN 0.444 nan 8.370 nan 0.000 0.478 26 A N 0.284 123.108 122.820 0.006 0.000 1.930 26 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 26 A C 2.420 180.007 177.584 0.004 0.000 1.175 26 A CA 0.866 52.906 52.037 0.005 0.000 0.627 26 A CB -0.457 18.546 19.000 0.005 0.000 0.815 26 A HN 0.157 nan 8.150 nan 0.000 0.443 27 V N 0.932 120.849 119.914 0.004 0.000 2.535 27 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 27 V C 2.495 178.592 176.094 0.005 0.000 1.045 27 V CA 1.939 64.242 62.300 0.004 0.000 1.058 27 V CB -0.361 31.464 31.823 0.003 0.000 0.689 27 V HN 0.818 nan 8.190 nan 0.000 0.461 28 K N 1.192 121.595 120.400 0.006 0.000 2.365 28 K HA -0.067 4.253 4.320 -0.000 0.000 0.199 28 K C 1.794 178.398 176.600 0.005 0.000 1.045 28 K CA 1.616 57.907 56.287 0.006 0.000 0.962 28 K CB -0.510 31.994 32.500 0.007 0.000 0.759 28 K HN 0.469 nan 8.250 nan 0.000 0.469 29 V N 0.363 120.280 119.914 0.005 0.000 2.867 29 V HA -0.154 3.965 4.120 -0.000 0.000 0.260 29 V C 2.045 178.141 176.094 0.004 0.000 1.099 29 V CA 1.899 64.202 62.300 0.004 0.000 1.122 29 V CB -1.274 30.551 31.823 0.004 0.000 0.708 29 V HN 0.540 nan 8.190 nan 0.000 0.490 30 T N -2.576 111.981 114.554 0.004 0.000 3.107 30 T HA 0.288 4.638 4.350 -0.000 0.000 0.249 30 T C 0.494 175.197 174.700 0.004 0.000 1.096 30 T CA -0.159 61.943 62.100 0.003 0.000 1.012 30 T CB -0.164 68.705 68.868 0.003 0.000 0.977 30 T HN 0.360 nan 8.240 nan 0.000 0.527 31 L N 2.625 123.851 121.223 0.006 0.000 2.410 31 L HA 0.546 4.886 4.340 -0.000 0.000 0.273 31 L C 0.877 177.752 176.870 0.008 0.000 1.152 31 L CA 1.613 56.457 54.840 0.007 0.000 0.855 31 L CB -0.398 41.666 42.059 0.009 0.000 1.129 31 L HN 0.692 nan 8.230 nan 0.000 0.463 32 G N 4.386 113.190 108.800 0.006 0.000 2.757 32 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.638 32 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.638 32 G C -2.049 172.852 174.900 0.000 0.000 1.344 32 G CA -0.319 44.785 45.100 0.006 0.000 0.855 32 G HN 0.552 nan 8.290 nan 0.000 0.537 33 P HA 0.060 nan 4.420 nan 0.000 0.223 33 P C 0.960 178.255 177.300 -0.008 0.000 1.151 33 P CA 1.197 64.289 63.100 -0.012 0.000 0.787 33 P CB 0.077 31.761 31.700 -0.026 0.000 0.788 34 K N 0.324 120.724 120.400 -0.001 0.000 2.811 34 K HA 0.326 4.646 4.320 -0.000 0.000 0.217 34 K C 0.824 177.426 176.600 0.004 0.000 1.115 34 K CA -0.265 56.023 56.287 0.002 0.000 1.179 34 K CB -0.255 32.250 32.500 0.007 0.000 0.994 34 K HN 0.025 nan 8.250 nan 0.000 0.464 35 G N 0.741 109.543 108.800 0.002 0.000 2.544 35 G HA2 0.105 4.064 3.960 -0.000 0.000 0.242 35 G HA3 0.105 4.064 3.960 -0.000 0.000 0.242 35 G C -0.162 174.739 174.900 0.002 0.000 1.247 35 G CA -0.549 44.553 45.100 0.003 0.000 0.840 35 G HN 0.135 nan 8.290 nan 0.000 0.578 36 R N 0.796 121.298 120.500 0.003 0.000 2.596 36 R HA 0.274 4.614 4.340 -0.000 0.000 0.267 36 R C 0.093 176.394 176.300 0.002 0.000 1.026 36 R CA -0.918 55.183 56.100 0.002 0.000 1.087 36 R CB 0.502 30.803 30.300 0.003 0.000 1.132 36 R HN 0.544 nan 8.270 nan 0.000 0.531 37 N N 0.229 118.930 118.700 0.002 0.000 2.525 37 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 37 N C -0.491 175.021 175.510 0.003 0.000 1.194 37 N CA -0.132 52.919 53.050 0.003 0.000 0.964 37 N CB 1.326 39.815 38.487 0.003 0.000 1.126 37 N HN 0.105 nan 8.380 nan 0.000 0.452 38 V N 1.756 121.672 119.914 0.004 0.000 2.581 38 V HA 0.334 4.454 4.120 -0.000 0.000 0.303 38 V C 0.151 176.248 176.094 0.006 0.000 1.041 38 V CA -0.818 61.485 62.300 0.005 0.000 0.907 38 V CB 2.079 33.905 31.823 0.004 0.000 0.994 38 V HN 0.288 nan 8.190 nan 0.000 0.442 39 V N 5.966 125.883 119.914 0.006 0.000 2.398 39 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 39 V C -0.313 175.787 176.094 0.010 0.000 1.026 39 V CA -0.436 61.869 62.300 0.008 0.000 0.868 39 V CB 1.439 33.266 31.823 0.007 0.000 0.982 39 V HN 0.612 nan 8.190 nan 0.000 0.443 40 L N 3.807 125.038 121.223 0.012 0.000 2.325 40 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 40 L C -0.340 176.542 176.870 0.020 0.000 1.004 40 L CA -0.566 54.283 54.840 0.014 0.000 0.823 40 L CB 1.798 43.866 42.059 0.014 0.000 1.236 40 L HN 0.503 nan 8.230 nan 0.000 0.415 41 D N 2.722 123.134 120.400 0.020 0.000 2.329 41 D HA 0.354 4.993 4.640 -0.000 0.000 0.246 41 D C -0.568 175.754 176.300 0.036 0.000 1.111 41 D CA -0.005 54.010 54.000 0.024 0.000 0.941 41 D CB 0.999 41.810 40.800 0.019 0.000 1.169 41 D HN 0.138 nan 8.370 nan 0.000 0.441 42 K N 0.174 120.604 120.400 0.049 0.000 2.426 42 K HA 0.327 4.647 4.320 -0.000 0.000 0.251 42 K C 0.561 177.208 176.600 0.078 0.000 0.941 42 K CA -0.665 55.670 56.287 0.080 0.000 0.808 42 K CB 1.689 34.262 32.500 0.121 0.000 1.265 42 K HN 0.268 nan 8.250 nan 0.000 0.432 43 S N 0.793 116.551 115.700 0.096 0.000 2.436 43 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 43 S C 1.656 176.316 174.600 0.099 0.000 1.014 43 S CA 0.239 58.488 58.200 0.081 0.000 0.950 43 S CB -0.296 62.954 63.200 0.083 0.000 0.784 43 S HN 0.549 nan 8.310 nan 0.000 0.504 44 F N 2.925 122.873 119.950 -0.004 0.000 2.091 44 F HA 0.075 4.602 4.527 0.000 0.000 0.299 44 F C 1.635 177.433 175.800 -0.003 0.000 1.103 44 F CA 1.281 59.279 58.000 -0.004 0.000 1.228 44 F CB -0.624 38.374 39.000 -0.003 0.000 0.984 44 F HN 0.362 nan 8.300 nan 0.000 0.477 45 G N -1.984 106.762 108.800 -0.091 0.000 2.667 45 G HA2 0.394 4.354 3.960 -0.000 0.000 0.081 45 G HA3 0.394 4.354 3.960 -0.000 0.000 0.081 45 G C -0.899 173.974 174.900 -0.045 0.000 1.105 45 G CA -0.225 44.794 45.100 -0.136 0.000 1.326 45 G HN 0.395 nan 8.290 nan 0.000 0.603 46 A N 2.267 125.067 122.820 -0.033 0.000 2.425 46 A HA 0.664 4.984 4.320 -0.000 0.000 0.249 46 A C -1.395 176.200 177.584 0.017 0.000 1.084 46 A CA -0.533 51.500 52.037 -0.008 0.000 0.781 46 A CB -0.404 18.592 19.000 -0.007 0.000 1.019 46 A HN 0.446 nan 8.150 nan 0.000 0.490 47 P HA 0.163 nan 4.420 nan 0.000 0.271 47 P C 0.046 177.362 177.300 0.027 0.000 1.238 47 P CA 0.159 63.274 63.100 0.025 0.000 0.794 47 P CB 0.300 32.009 31.700 0.016 0.000 0.959 48 T N -1.847 112.723 114.554 0.028 0.000 2.888 48 T HA 0.653 5.003 4.350 -0.000 0.000 0.284 48 T C -0.173 174.537 174.700 0.017 0.000 1.017 48 T CA -0.828 61.287 62.100 0.026 0.000 1.022 48 T CB 0.361 69.247 68.868 0.031 0.000 1.013 48 T HN 0.204 nan 8.240 nan 0.000 0.465 49 I N 2.813 123.391 120.570 0.013 0.000 2.362 49 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 49 I C 0.373 176.494 176.117 0.007 0.000 0.994 49 I CA -0.582 60.723 61.300 0.009 0.000 1.158 49 I CB 1.842 39.847 38.000 0.007 0.000 1.315 49 I HN 0.749 nan 8.210 nan 0.000 0.451 50 T N 4.255 118.813 114.554 0.006 0.000 2.864 50 T HA 0.430 4.780 4.350 -0.000 0.000 0.299 50 T C -0.005 174.697 174.700 0.002 0.000 1.166 50 T CA -0.497 61.605 62.100 0.004 0.000 1.007 50 T CB 1.858 70.728 68.868 0.004 0.000 1.219 50 T HN 0.671 nan 8.240 nan 0.000 0.506 51 K N 0.807 121.207 120.400 0.001 0.000 2.483 51 K HA 0.189 4.509 4.320 -0.000 0.000 0.206 51 K C -0.610 175.990 176.600 -0.001 0.000 1.086 51 K CA -0.302 55.985 56.287 -0.000 0.000 1.052 51 K CB 0.616 33.115 32.500 -0.001 0.000 0.904 51 K HN 0.422 nan 8.250 nan 0.000 0.557 52 D N 0.516 120.915 120.400 -0.001 0.000 2.365 52 D HA 0.076 4.716 4.640 -0.000 0.000 0.237 52 D C 1.020 177.320 176.300 -0.001 0.000 1.190 52 D CA 0.055 54.054 54.000 -0.002 0.000 0.867 52 D CB 1.370 42.168 40.800 -0.003 0.000 1.050 52 D HN 0.275 nan 8.370 nan 0.000 0.491 53 G N 2.703 111.503 108.800 -0.000 0.000 2.422 53 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 53 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 53 G C 1.664 176.563 174.900 -0.002 0.000 1.140 53 G CA 0.521 45.621 45.100 0.000 0.000 0.775 53 G HN 0.479 nan 8.290 nan 0.000 0.545 54 V N 1.702 121.614 119.914 -0.003 0.000 2.252 54 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 54 V C 3.143 179.234 176.094 -0.006 0.000 1.056 54 V CA 2.432 64.729 62.300 -0.006 0.000 1.022 54 V CB -0.881 30.939 31.823 -0.005 0.000 0.641 54 V HN 0.426 nan 8.190 nan 0.000 0.445 55 S N -0.031 115.666 115.700 -0.005 0.000 2.383 55 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 55 S C 1.988 176.586 174.600 -0.003 0.000 1.030 55 S CA 1.573 59.770 58.200 -0.004 0.000 1.002 55 S CB -0.495 62.703 63.200 -0.002 0.000 0.829 55 S HN 0.391 nan 8.310 nan 0.000 0.467 56 V N 2.407 122.320 119.914 -0.001 0.000 2.255 56 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 56 V C 2.816 178.909 176.094 -0.002 0.000 1.051 56 V CA 1.768 64.067 62.300 -0.000 0.000 1.018 56 V CB -1.445 30.379 31.823 0.001 0.000 0.641 56 V HN 0.576 nan 8.190 nan 0.000 0.445 57 A N 0.492 123.310 122.820 -0.004 0.000 1.917 57 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 57 A C 2.406 179.985 177.584 -0.008 0.000 1.182 57 A CA 2.309 54.342 52.037 -0.006 0.000 0.633 57 A CB -0.662 18.334 19.000 -0.008 0.000 0.819 57 A HN 0.583 nan 8.150 nan 0.000 0.448 58 R N -0.452 120.042 120.500 -0.009 0.000 2.193 58 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 58 R C 0.960 177.254 176.300 -0.010 0.000 1.110 58 R CA 1.514 57.606 56.100 -0.012 0.000 0.988 58 R CB -0.134 30.157 30.300 -0.014 0.000 0.871 58 R HN 0.402 nan 8.270 nan 0.000 0.458 59 E N 0.425 120.621 120.200 -0.006 0.000 2.478 59 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 59 E C 0.037 176.635 176.600 -0.003 0.000 1.045 59 E CA 0.138 56.536 56.400 -0.003 0.000 0.868 59 E CB 0.323 30.024 29.700 0.001 0.000 0.885 59 E HN 0.284 nan 8.360 nan 0.000 0.505 60 I N 1.793 122.361 120.570 -0.004 0.000 2.325 60 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 60 I C 0.303 176.417 176.117 -0.004 0.000 1.019 60 I CA -0.145 61.154 61.300 -0.002 0.000 1.302 60 I CB 0.728 38.727 38.000 -0.001 0.000 1.401 60 I HN -0.093 nan 8.210 nan 0.000 0.485 61 E N 6.758 126.956 120.200 -0.004 0.000 2.331 61 E HA 0.584 4.934 4.350 -0.000 0.000 0.275 61 E C -1.745 174.853 176.600 -0.004 0.000 0.895 61 E CA -0.625 55.771 56.400 -0.006 0.000 0.753 61 E CB 2.499 32.193 29.700 -0.009 0.000 1.216 61 E HN 0.437 nan 8.360 nan 0.000 0.434 62 L N 3.146 124.366 121.223 -0.005 0.000 2.334 62 L HA 0.367 4.707 4.340 -0.000 0.000 0.273 62 L C 1.372 178.239 176.870 -0.005 0.000 1.013 62 L CA -0.510 54.330 54.840 -0.000 0.000 0.816 62 L CB 1.758 43.821 42.059 0.007 0.000 1.278 62 L HN 0.768 nan 8.230 nan 0.000 0.431 63 E N 0.970 121.169 120.200 -0.000 0.000 2.051 63 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 63 E C 0.512 177.108 176.600 -0.006 0.000 0.991 63 E CA 0.850 57.248 56.400 -0.004 0.000 0.799 63 E CB 0.260 29.961 29.700 0.002 0.000 0.748 63 E HN 0.660 nan 8.360 nan 0.000 0.449 64 D N 0.242 120.648 120.400 0.011 0.000 2.383 64 D HA -0.054 4.586 4.640 -0.000 0.000 0.252 64 D C 0.623 176.917 176.300 -0.009 0.000 1.166 64 D CA 0.003 54.017 54.000 0.023 0.000 0.879 64 D CB 1.037 41.878 40.800 0.068 0.000 1.164 64 D HN 0.041 nan 8.370 nan 0.000 0.462 65 K N 3.613 123.956 120.400 -0.095 0.000 2.147 65 K HA -0.132 4.187 4.320 -0.000 0.000 0.205 65 K C 1.919 178.392 176.600 -0.210 0.000 1.049 65 K CA 1.015 57.177 56.287 -0.209 0.000 0.936 65 K CB -0.310 31.978 32.500 -0.353 0.000 0.722 65 K HN 0.458 nan 8.250 nan 0.000 0.446 66 F N 2.236 122.176 119.950 -0.016 0.000 2.098 66 F HA -0.066 4.460 4.527 -0.000 0.000 0.294 66 F C 2.453 178.244 175.800 -0.015 0.000 1.107 66 F CA 1.082 59.070 58.000 -0.021 0.000 1.234 66 F CB -0.635 38.351 39.000 -0.023 0.000 1.002 66 F HN 0.065 nan 8.300 nan 0.000 0.472 67 E N 0.214 120.520 120.200 0.176 0.000 2.086 67 E HA -0.318 4.032 4.350 -0.000 0.000 0.200 67 E C 2.021 178.650 176.600 0.049 0.000 1.012 67 E CA 1.551 58.005 56.400 0.089 0.000 0.812 67 E CB -0.625 29.114 29.700 0.065 0.000 0.743 67 E HN 0.447 nan 8.360 nan 0.000 0.453 68 N N 0.374 119.088 118.700 0.023 0.000 2.223 68 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 68 N C 1.869 177.379 175.510 -0.001 0.000 1.016 68 N CA 0.853 53.903 53.050 0.000 0.000 0.863 68 N CB 0.023 38.497 38.487 -0.022 0.000 0.983 68 N HN 0.192 nan 8.380 nan 0.000 0.429 69 M N 0.100 119.703 119.600 0.004 0.000 2.099 69 M HA -0.058 4.422 4.480 -0.000 0.000 0.262 69 M C 2.358 178.672 176.300 0.023 0.000 1.067 69 M CA 1.543 56.847 55.300 0.007 0.000 1.124 69 M CB -0.573 32.037 32.600 0.017 0.000 1.353 69 M HN 0.180 nan 8.290 nan 0.000 0.410 70 G N 0.256 109.081 108.800 0.042 0.000 2.529 70 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 70 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 70 G C 1.584 176.496 174.900 0.020 0.000 1.177 70 G CA 1.341 46.461 45.100 0.034 0.000 0.773 70 G HN 0.555 nan 8.290 nan 0.000 0.573 71 A N -0.103 122.727 122.820 0.017 0.000 1.883 71 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 71 A C 2.425 180.011 177.584 0.003 0.000 1.186 71 A CA 2.131 54.173 52.037 0.009 0.000 0.624 71 A CB -0.388 18.616 19.000 0.007 0.000 0.822 71 A HN 0.366 nan 8.150 nan 0.000 0.444 72 Q N -0.853 118.946 119.800 -0.001 0.000 2.167 72 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 72 Q C 2.102 178.099 176.000 -0.005 0.000 0.970 72 Q CA 1.449 57.248 55.803 -0.007 0.000 0.855 72 Q CB -0.492 28.239 28.738 -0.012 0.000 0.911 72 Q HN 0.774 nan 8.270 nan 0.000 0.438 73 M N -0.189 119.412 119.600 0.002 0.000 2.077 73 M HA -0.147 4.332 4.480 -0.000 0.000 0.261 73 M C 2.260 178.564 176.300 0.006 0.000 1.070 73 M CA 1.192 56.496 55.300 0.006 0.000 1.125 73 M CB -0.235 32.373 32.600 0.014 0.000 1.339 73 M HN -0.043 nan 8.290 nan 0.000 0.409 74 V N 0.324 120.244 119.914 0.009 0.000 2.407 74 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 74 V C 2.120 178.212 176.094 -0.004 0.000 1.055 74 V CA 1.782 64.088 62.300 0.009 0.000 1.049 74 V CB -0.773 31.058 31.823 0.013 0.000 0.662 74 V HN 0.434 nan 8.190 nan 0.000 0.455 75 K N -0.232 120.163 120.400 -0.009 0.000 2.063 75 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 75 K C 2.311 178.890 176.600 -0.034 0.000 1.048 75 K CA 1.720 57.995 56.287 -0.019 0.000 0.928 75 K CB -0.189 32.300 32.500 -0.018 0.000 0.713 75 K HN 0.482 nan 8.250 nan 0.000 0.442 76 E N 0.331 120.513 120.200 -0.031 0.000 2.106 76 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 76 E C 1.839 178.391 176.600 -0.080 0.000 0.984 76 E CA 1.013 57.385 56.400 -0.047 0.000 0.806 76 E CB 0.301 29.983 29.700 -0.032 0.000 0.750 76 E HN 0.075 nan 8.360 nan 0.000 0.458 77 V N 0.704 120.581 119.914 -0.062 0.000 2.446 77 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 77 V C 2.373 178.366 176.094 -0.169 0.000 1.039 77 V CA 1.383 63.631 62.300 -0.086 0.000 1.045 77 V CB -0.388 31.456 31.823 0.034 0.000 0.681 77 V HN 0.291 nan 8.190 nan 0.000 0.459 78 A N 0.901 123.673 122.820 -0.081 0.000 1.940 78 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 78 A C 2.463 179.964 177.584 -0.138 0.000 1.176 78 A CA 2.205 54.195 52.037 -0.078 0.000 0.631 78 A CB -0.727 18.258 19.000 -0.025 0.000 0.814 78 A HN 0.680 nan 8.150 nan 0.000 0.446 79 S N -0.482 115.139 115.700 -0.131 0.000 2.555 79 S HA -0.057 4.412 4.470 -0.000 0.000 0.230 79 S C 1.546 176.023 174.600 -0.205 0.000 0.978 79 S CA 1.149 59.272 58.200 -0.128 0.000 0.934 79 S CB -0.307 62.843 63.200 -0.083 0.000 0.766 79 S HN 0.603 nan 8.310 nan 0.000 0.533 80 K N 1.113 121.286 120.400 -0.377 0.000 2.211 80 K HA 0.151 4.471 4.320 -0.000 0.000 0.203 80 K C 2.408 178.698 176.600 -0.517 0.000 1.050 80 K CA 0.899 56.865 56.287 -0.535 0.000 0.945 80 K CB -0.405 31.558 32.500 -0.894 0.000 0.732 80 K HN 0.512 nan 8.250 nan 0.000 0.451 81 A N 1.864 124.419 122.820 -0.442 0.000 1.845 81 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 81 A C 1.877 179.440 177.584 -0.035 0.000 1.195 81 A CA 1.924 53.907 52.037 -0.090 0.000 0.616 81 A CB -0.764 18.264 19.000 0.046 0.000 0.832 81 A HN 0.257 nan 8.150 nan 0.000 0.443 82 N N 0.216 118.885 118.700 -0.050 0.000 2.094 82 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 82 N C 1.243 176.744 175.510 -0.016 0.000 1.023 82 N CA 1.822 54.863 53.050 -0.015 0.000 0.857 82 N CB -0.255 38.223 38.487 -0.015 0.000 1.013 82 N HN 0.470 nan 8.380 nan 0.000 0.426 83 D N -0.199 120.170 120.400 -0.052 0.000 2.092 83 D HA -0.121 4.518 4.640 -0.000 0.000 0.193 83 D C 1.816 178.097 176.300 -0.032 0.000 0.994 83 D CA 1.452 55.422 54.000 -0.049 0.000 0.828 83 D CB -0.608 40.148 40.800 -0.074 0.000 0.963 83 D HN 0.348 nan 8.370 nan 0.000 0.450 84 A N 0.281 123.097 122.820 -0.006 0.000 1.930 84 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 84 A C 2.055 179.654 177.584 0.025 0.000 1.175 84 A CA 2.229 54.290 52.037 0.039 0.000 0.627 84 A CB -0.210 18.879 19.000 0.147 0.000 0.815 84 A HN 0.262 nan 8.150 nan 0.000 0.443 85 A N -3.358 119.481 122.820 0.031 0.000 2.456 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.237 85 A C 1.591 179.195 177.584 0.033 0.000 1.217 85 A CA 0.988 53.044 52.037 0.032 0.000 0.962 85 A CB -0.077 18.954 19.000 0.053 0.000 1.079 85 A HN 1.871 nan 8.150 nan 0.000 0.536 86 G N -0.912 107.910 108.800 0.036 0.000 2.175 86 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.244 86 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.244 86 G C -0.182 174.770 174.900 0.087 0.000 0.982 86 G CA 0.539 45.696 45.100 0.095 0.000 0.641 86 G HN 0.925 nan 8.290 nan 0.000 0.527 87 D N -3.030 117.401 120.400 0.052 0.000 2.808 87 D HA 0.558 5.198 4.640 -0.000 0.000 0.294 87 D C 0.918 177.238 176.300 0.033 0.000 1.278 87 D CA 1.566 55.590 54.000 0.039 0.000 0.756 87 D CB 0.272 41.096 40.800 0.040 0.000 1.271 87 D HN 1.437 nan 8.370 nan 0.000 0.425 88 G N -0.510 108.306 108.800 0.028 0.000 2.201 88 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.212 88 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.212 88 G C 1.121 176.037 174.900 0.026 0.000 0.994 88 G CA 0.912 46.032 45.100 0.033 0.000 0.644 88 G HN 0.568 nan 8.290 nan 0.000 0.508 89 T N 1.166 115.726 114.554 0.011 0.000 2.746 89 T HA -0.067 4.282 4.350 -0.000 0.000 0.267 89 T C 2.562 177.265 174.700 0.005 0.000 1.039 89 T CA 2.490 64.589 62.100 -0.002 0.000 1.142 89 T CB -0.361 68.498 68.868 -0.014 0.000 0.866 89 T HN 0.462 nan 8.240 nan 0.000 0.444 90 T N 1.438 115.997 114.554 0.008 0.000 2.777 90 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 90 T C 2.261 176.970 174.700 0.015 0.000 1.040 90 T CA 1.479 63.584 62.100 0.009 0.000 1.141 90 T CB -0.649 68.223 68.868 0.008 0.000 0.868 90 T HN 0.376 nan 8.240 nan 0.000 0.444 91 T N 2.275 116.841 114.554 0.019 0.000 2.665 91 T HA -0.124 4.225 4.350 -0.000 0.000 0.268 91 T C 2.402 177.120 174.700 0.030 0.000 1.035 91 T CA 1.354 63.468 62.100 0.024 0.000 1.151 91 T CB -0.628 68.257 68.868 0.028 0.000 0.862 91 T HN 0.449 nan 8.240 nan 0.000 0.438 92 A N 1.191 124.033 122.820 0.038 0.000 1.940 92 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 92 A C 2.551 180.156 177.584 0.036 0.000 1.176 92 A CA 2.118 54.184 52.037 0.049 0.000 0.631 92 A CB -1.213 17.828 19.000 0.068 0.000 0.814 92 A HN 0.508 nan 8.150 nan 0.000 0.446 93 T N -0.314 114.254 114.554 0.023 0.000 2.746 93 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 93 T C 1.881 176.592 174.700 0.018 0.000 1.039 93 T CA 1.500 63.611 62.100 0.018 0.000 1.142 93 T CB -0.487 68.387 68.868 0.010 0.000 0.866 93 T HN 0.169 nan 8.240 nan 0.000 0.444 94 V N 1.734 121.659 119.914 0.018 0.000 2.255 94 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 94 V C 2.521 178.626 176.094 0.018 0.000 1.051 94 V CA 1.643 63.953 62.300 0.016 0.000 1.018 94 V CB -0.795 31.036 31.823 0.015 0.000 0.641 94 V HN 0.431 nan 8.190 nan 0.000 0.445 95 L N 0.066 121.303 121.223 0.023 0.000 2.012 95 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 95 L C 2.717 179.601 176.870 0.024 0.000 1.073 95 L CA 1.782 56.636 54.840 0.024 0.000 0.748 95 L CB -0.851 41.225 42.059 0.029 0.000 0.891 95 L HN 0.367 nan 8.230 nan 0.000 0.431 96 A N -0.547 122.290 122.820 0.028 0.000 1.930 96 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 96 A C 2.288 179.885 177.584 0.021 0.000 1.175 96 A CA 1.710 53.764 52.037 0.028 0.000 0.627 96 A CB -0.604 18.415 19.000 0.032 0.000 0.815 96 A HN 0.519 nan 8.150 nan 0.000 0.443 97 Q N -0.396 119.415 119.800 0.018 0.000 2.135 97 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 97 Q C 2.038 178.046 176.000 0.014 0.000 0.981 97 Q CA 1.923 57.735 55.803 0.015 0.000 0.856 97 Q CB -0.324 28.422 28.738 0.013 0.000 0.902 97 Q HN 0.594 nan 8.270 nan 0.000 0.425 98 A N 0.156 122.984 122.820 0.014 0.000 1.935 98 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 98 A C 1.926 179.517 177.584 0.012 0.000 1.178 98 A CA 0.754 52.798 52.037 0.012 0.000 0.640 98 A CB -0.329 18.678 19.000 0.011 0.000 0.825 98 A HN 0.440 nan 8.150 nan 0.000 0.447 99 I N -0.328 120.250 120.570 0.014 0.000 2.252 99 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 99 I C 2.200 178.325 176.117 0.013 0.000 1.102 99 I CA 1.097 62.406 61.300 0.013 0.000 1.385 99 I CB -0.283 37.726 38.000 0.015 0.000 1.064 99 I HN 0.253 nan 8.210 nan 0.000 0.414 100 I N 0.245 120.824 120.570 0.014 0.000 2.208 100 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 100 I C 2.547 178.671 176.117 0.011 0.000 1.097 100 I CA 1.628 62.936 61.300 0.014 0.000 1.363 100 I CB -0.501 37.508 38.000 0.015 0.000 1.051 100 I HN 0.211 nan 8.210 nan 0.000 0.413 101 T N -0.033 114.528 114.554 0.010 0.000 2.701 101 T HA -0.132 4.218 4.350 -0.000 0.000 0.263 101 T C 1.833 176.537 174.700 0.008 0.000 1.040 101 T CA 1.223 63.328 62.100 0.009 0.000 1.147 101 T CB -0.119 68.753 68.868 0.008 0.000 0.865 101 T HN 0.286 nan 8.240 nan 0.000 0.426 102 E N 0.672 120.877 120.200 0.008 0.000 2.107 102 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 102 E C 2.547 179.151 176.600 0.007 0.000 0.982 102 E CA 0.870 57.274 56.400 0.007 0.000 0.809 102 E CB -0.766 28.938 29.700 0.006 0.000 0.756 102 E HN 0.543 nan 8.360 nan 0.000 0.459 103 G N 1.776 110.581 108.800 0.008 0.000 2.446 103 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 103 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 103 G C 1.729 176.633 174.900 0.007 0.000 1.168 103 G CA 0.638 45.742 45.100 0.008 0.000 0.771 103 G HN 0.180 nan 8.290 nan 0.000 0.551 104 L N -0.292 120.936 121.223 0.007 0.000 2.191 104 L HA -0.020 4.319 4.340 -0.000 0.000 0.212 104 L C 2.825 179.698 176.870 0.005 0.000 1.103 104 L CA 1.121 55.965 54.840 0.006 0.000 0.769 104 L CB -0.257 41.806 42.059 0.006 0.000 0.908 104 L HN 0.169 nan 8.230 nan 0.000 0.438 105 K N 0.200 120.603 120.400 0.005 0.000 2.057 105 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 105 K C 2.171 178.773 176.600 0.004 0.000 1.049 105 K CA 1.306 57.595 56.287 0.004 0.000 0.931 105 K CB -0.153 32.349 32.500 0.004 0.000 0.714 105 K HN 0.278 nan 8.250 nan 0.000 0.440 106 A N 0.082 122.905 122.820 0.005 0.000 2.015 106 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 106 A C 2.147 179.733 177.584 0.005 0.000 1.163 106 A CA 1.196 53.236 52.037 0.004 0.000 0.646 106 A CB -0.346 18.657 19.000 0.005 0.000 0.806 106 A HN 0.113 nan 8.150 nan 0.000 0.448 107 V N -0.290 119.627 119.914 0.006 0.000 2.323 107 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 107 V C 3.012 179.110 176.094 0.006 0.000 1.041 107 V CA 1.720 64.024 62.300 0.007 0.000 1.025 107 V CB -1.092 30.736 31.823 0.008 0.000 0.656 107 V HN 0.574 nan 8.190 nan 0.000 0.451 108 A N -0.033 122.789 122.820 0.004 0.000 2.076 108 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 108 A C 2.142 179.728 177.584 0.002 0.000 1.160 108 A CA 1.797 53.836 52.037 0.003 0.000 0.653 108 A CB -0.510 18.491 19.000 0.002 0.000 0.801 108 A HN 0.599 nan 8.150 nan 0.000 0.455 109 A N -1.874 120.948 122.820 0.003 0.000 2.251 109 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 109 A C 1.693 179.278 177.584 0.002 0.000 1.187 109 A CA 1.070 53.108 52.037 0.002 0.000 0.823 109 A CB -0.873 18.128 19.000 0.002 0.000 0.846 109 A HN 1.844 nan 8.150 nan 0.000 0.486 110 G N -1.181 107.620 108.800 0.003 0.000 2.136 110 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 110 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 110 G C 0.193 175.095 174.900 0.003 0.000 0.989 110 G CA 0.429 45.530 45.100 0.002 0.000 0.682 110 G HN 0.418 nan 8.290 nan 0.000 0.522 111 M N 0.196 119.799 119.600 0.003 0.000 2.202 111 M HA 0.245 4.724 4.480 -0.000 0.000 0.316 111 M C 0.746 177.049 176.300 0.005 0.000 1.138 111 M CA -0.555 54.748 55.300 0.004 0.000 1.151 111 M CB 0.407 33.009 32.600 0.004 0.000 1.422 111 M HN 0.140 nan 8.290 nan 0.000 0.471 112 N N 2.291 120.994 118.700 0.005 0.000 2.402 112 N HA 0.145 4.885 4.740 -0.000 0.000 0.252 112 N C -2.128 173.386 175.510 0.007 0.000 1.118 112 N CA -1.640 51.413 53.050 0.006 0.000 0.945 112 N CB 1.008 39.498 38.487 0.005 0.000 1.147 112 N HN 0.247 nan 8.380 nan 0.000 0.495 113 P HA -0.144 nan 4.420 nan 0.000 0.217 113 P C 1.495 178.800 177.300 0.009 0.000 1.148 113 P CA 1.233 64.339 63.100 0.010 0.000 0.828 113 P CB 0.265 31.972 31.700 0.013 0.000 0.783 114 M N -0.915 118.690 119.600 0.009 0.000 2.156 114 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 114 M C 1.529 177.833 176.300 0.006 0.000 1.067 114 M CA 1.540 56.844 55.300 0.007 0.000 1.131 114 M CB -1.656 30.948 32.600 0.007 0.000 1.368 114 M HN -0.060 nan 8.290 nan 0.000 0.416 115 D N 0.108 120.511 120.400 0.005 0.000 2.123 115 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 115 D C 2.127 178.430 176.300 0.004 0.000 0.976 115 D CA 0.789 54.791 54.000 0.004 0.000 0.831 115 D CB -0.049 40.753 40.800 0.003 0.000 0.974 115 D HN 0.125 nan 8.370 nan 0.000 0.469 116 L N 1.513 122.739 121.223 0.005 0.000 1.990 116 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 116 L C 2.324 179.197 176.870 0.005 0.000 1.072 116 L CA 1.586 56.429 54.840 0.005 0.000 0.755 116 L CB -1.073 40.990 42.059 0.006 0.000 0.889 116 L HN 0.032 nan 8.230 nan 0.000 0.432 117 K N -0.651 119.752 120.400 0.005 0.000 2.103 117 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 117 K C 2.325 178.926 176.600 0.002 0.000 1.048 117 K CA 1.544 57.834 56.287 0.005 0.000 0.930 117 K CB -0.013 32.490 32.500 0.006 0.000 0.716 117 K HN 0.076 nan 8.250 nan 0.000 0.444 118 R N -0.251 120.251 120.500 0.002 0.000 2.073 118 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 118 R C 2.316 178.615 176.300 -0.000 0.000 1.134 118 R CA 1.824 57.925 56.100 0.000 0.000 0.952 118 R CB -0.662 29.639 30.300 0.001 0.000 0.850 118 R HN 0.405 nan 8.270 nan 0.000 0.433 119 G N 0.835 109.635 108.800 0.001 0.000 2.480 119 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 119 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 119 G C 1.434 176.335 174.900 0.001 0.000 1.200 119 G CA 1.221 46.321 45.100 0.001 0.000 0.782 119 G HN 0.297 nan 8.290 nan 0.000 0.554 120 I N 1.225 121.796 120.570 0.002 0.000 2.145 120 I HA -0.242 3.928 4.170 -0.000 0.000 0.244 120 I C 2.317 178.433 176.117 -0.002 0.000 1.075 120 I CA 1.631 62.932 61.300 0.001 0.000 1.332 120 I CB -0.242 37.760 38.000 0.003 0.000 1.033 120 I HN 0.075 nan 8.210 nan 0.000 0.410 121 D N 0.440 120.837 120.400 -0.004 0.000 2.144 121 D HA -0.177 4.463 4.640 -0.000 0.000 0.200 121 D C 2.089 178.384 176.300 -0.009 0.000 0.978 121 D CA 1.118 55.113 54.000 -0.009 0.000 0.833 121 D CB -0.173 40.621 40.800 -0.009 0.000 0.961 121 D HN 0.331 nan 8.370 nan 0.000 0.470 122 K N 0.772 121.169 120.400 -0.006 0.000 2.025 122 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 122 K C 2.066 178.663 176.600 -0.004 0.000 1.049 122 K CA 1.198 57.482 56.287 -0.005 0.000 0.933 122 K CB -0.076 32.422 32.500 -0.003 0.000 0.714 122 K HN -0.012 nan 8.250 nan 0.000 0.438 123 A N 0.724 123.542 122.820 -0.003 0.000 1.903 123 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 123 A C 2.248 179.830 177.584 -0.003 0.000 1.191 123 A CA 2.157 54.193 52.037 -0.001 0.000 0.638 123 A CB -0.896 18.104 19.000 0.001 0.000 0.823 123 A HN 0.213 nan 8.150 nan 0.000 0.451 124 V N -0.771 119.139 119.914 -0.007 0.000 2.548 124 V HA -0.166 3.953 4.120 -0.000 0.000 0.249 124 V C 2.674 178.758 176.094 -0.015 0.000 1.055 124 V CA 2.248 64.541 62.300 -0.011 0.000 1.065 124 V CB -1.035 30.778 31.823 -0.017 0.000 0.681 124 V HN 0.622 nan 8.190 nan 0.000 0.462 125 T N 0.081 114.626 114.554 -0.015 0.000 2.708 125 T HA -0.154 4.195 4.350 -0.000 0.000 0.266 125 T C 1.949 176.643 174.700 -0.010 0.000 1.037 125 T CA 1.711 63.802 62.100 -0.016 0.000 1.146 125 T CB -0.138 68.722 68.868 -0.014 0.000 0.865 125 T HN 0.286 nan 8.240 nan 0.000 0.435 126 V N 1.603 121.513 119.914 -0.006 0.000 2.358 126 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 126 V C 2.866 178.959 176.094 -0.001 0.000 1.047 126 V CA 1.518 63.816 62.300 -0.003 0.000 1.035 126 V CB -1.148 30.675 31.823 -0.001 0.000 0.658 126 V HN 0.505 nan 8.190 nan 0.000 0.452 127 A N -0.299 122.520 122.820 -0.001 0.000 1.978 127 A HA -0.161 4.158 4.320 -0.000 0.000 0.220 127 A C 2.380 179.964 177.584 -0.000 0.000 1.170 127 A CA 2.035 54.073 52.037 0.001 0.000 0.636 127 A CB -0.576 18.426 19.000 0.003 0.000 0.810 127 A HN 0.349 nan 8.150 nan 0.000 0.448 128 V N 0.017 119.928 119.914 -0.006 0.000 2.379 128 V HA -0.238 3.881 4.120 -0.000 0.000 0.245 128 V C 2.330 178.421 176.094 -0.004 0.000 1.044 128 V CA 2.113 64.408 62.300 -0.008 0.000 1.036 128 V CB -0.806 31.006 31.823 -0.018 0.000 0.664 128 V HN 0.671 nan 8.190 nan 0.000 0.453 129 E N -0.232 119.965 120.200 -0.004 0.000 2.130 129 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 129 E C 2.227 178.829 176.600 0.003 0.000 0.998 129 E CA 1.417 57.817 56.400 -0.001 0.000 0.806 129 E CB -0.138 29.562 29.700 -0.001 0.000 0.738 129 E HN 0.574 nan 8.360 nan 0.000 0.459 130 E N 0.698 120.901 120.200 0.004 0.000 2.072 130 E HA -0.113 4.236 4.350 -0.000 0.000 0.190 130 E C 2.336 178.941 176.600 0.010 0.000 0.982 130 E CA 0.564 56.969 56.400 0.008 0.000 0.803 130 E CB -0.196 29.510 29.700 0.010 0.000 0.755 130 E HN 0.318 nan 8.360 nan 0.000 0.453 131 L N 0.778 122.007 121.223 0.009 0.000 2.042 131 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 131 L C 2.645 179.521 176.870 0.010 0.000 1.076 131 L CA 1.342 56.188 54.840 0.011 0.000 0.749 131 L CB -0.367 41.697 42.059 0.009 0.000 0.893 131 L HN 0.077 nan 8.230 nan 0.000 0.432 132 K N -0.155 120.249 120.400 0.007 0.000 2.097 132 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 132 K C 2.046 178.651 176.600 0.008 0.000 1.049 132 K CA 1.330 57.621 56.287 0.007 0.000 0.933 132 K CB -0.049 32.454 32.500 0.004 0.000 0.717 132 K HN 0.316 nan 8.250 nan 0.000 0.442 133 A N 0.229 123.054 122.820 0.009 0.000 1.975 133 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 133 A C 1.873 179.465 177.584 0.013 0.000 1.170 133 A CA 0.636 52.679 52.037 0.010 0.000 0.656 133 A CB -0.305 18.701 19.000 0.010 0.000 0.821 133 A HN 0.304 nan 8.150 nan 0.000 0.449 134 L N -0.177 121.055 121.223 0.015 0.000 2.275 134 L HA 0.090 4.430 4.340 -0.000 0.000 0.215 134 L C 1.320 178.201 176.870 0.018 0.000 1.119 134 L CA 0.825 55.676 54.840 0.019 0.000 0.790 134 L CB -0.334 41.739 42.059 0.022 0.000 0.919 134 L HN 0.253 nan 8.230 nan 0.000 0.443 135 S N -1.087 114.622 115.700 0.015 0.000 2.564 135 S HA 0.285 4.754 4.470 -0.000 0.000 0.278 135 S C -0.294 174.314 174.600 0.014 0.000 1.333 135 S CA -0.625 57.584 58.200 0.015 0.000 1.048 135 S CB 0.600 63.807 63.200 0.012 0.000 0.900 135 S HN -0.002 nan 8.310 nan 0.000 0.505 136 V N 8.158 128.080 119.914 0.014 0.000 2.370 136 V HA 0.411 4.531 4.120 -0.000 0.000 0.283 136 V C -1.854 174.247 176.094 0.011 0.000 1.023 136 V CA -1.822 60.486 62.300 0.013 0.000 0.857 136 V CB 1.315 33.146 31.823 0.014 0.000 0.985 136 V HN 0.785 nan 8.190 nan 0.000 0.443 137 P HA 0.068 nan 4.420 nan 0.000 0.269 137 P C -0.483 176.823 177.300 0.009 0.000 1.215 137 P CA -0.154 62.951 63.100 0.009 0.000 0.780 137 P CB 0.834 32.539 31.700 0.008 0.000 0.898 138 C N 2.891 122.196 119.300 0.009 0.000 3.002 138 C HA 0.459 4.919 4.460 -0.000 0.000 0.248 138 C C 0.947 175.941 174.990 0.008 0.000 1.153 138 C CA 0.232 59.256 59.018 0.009 0.000 1.502 138 C CB -1.392 26.354 27.740 0.010 0.000 1.805 138 C HN 0.647 nan 8.230 nan 0.000 0.450 139 S N 1.033 116.737 115.700 0.007 0.000 2.817 139 S HA 0.237 4.707 4.470 -0.000 0.000 0.262 139 S C -0.234 174.369 174.600 0.005 0.000 1.051 139 S CA -0.253 57.950 58.200 0.006 0.000 1.185 139 S CB -0.147 63.056 63.200 0.005 0.000 1.152 139 S HN 0.852 nan 8.310 nan 0.000 0.653 140 D N 0.565 120.968 120.400 0.005 0.000 2.392 140 D HA 0.419 5.059 4.640 -0.000 0.000 0.246 140 D C 0.525 176.828 176.300 0.005 0.000 1.013 140 D CA -0.636 53.367 54.000 0.005 0.000 0.993 140 D CB 1.638 42.440 40.800 0.004 0.000 1.219 140 D HN -0.072 nan 8.370 nan 0.000 0.538 141 S N -0.287 115.415 115.700 0.004 0.000 2.370 141 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 141 S C 1.545 176.148 174.600 0.004 0.000 1.033 141 S CA 1.302 59.505 58.200 0.004 0.000 1.011 141 S CB -0.153 63.049 63.200 0.003 0.000 0.852 141 S HN 0.404 nan 8.310 nan 0.000 0.457 142 K N 2.050 122.452 120.400 0.004 0.000 2.057 142 K HA 0.148 4.468 4.320 -0.000 0.000 0.206 142 K C 2.092 178.695 176.600 0.005 0.000 1.050 142 K CA 1.352 57.641 56.287 0.004 0.000 0.935 142 K CB -1.334 31.168 32.500 0.004 0.000 0.715 142 K HN 0.341 nan 8.250 nan 0.000 0.439 143 A N 1.122 123.945 122.820 0.005 0.000 1.930 143 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 143 A C 2.338 179.926 177.584 0.007 0.000 1.175 143 A CA 1.145 53.185 52.037 0.006 0.000 0.627 143 A CB -0.657 18.347 19.000 0.007 0.000 0.815 143 A HN 0.215 nan 8.150 nan 0.000 0.443 144 I N -0.245 120.329 120.570 0.007 0.000 2.179 144 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 144 I C 2.994 179.115 176.117 0.007 0.000 1.088 144 I CA 1.021 62.326 61.300 0.008 0.000 1.357 144 I CB -0.331 37.673 38.000 0.008 0.000 1.051 144 I HN 0.355 nan 8.210 nan 0.000 0.409 145 A N 0.014 122.837 122.820 0.006 0.000 1.883 145 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 145 A C 2.268 179.855 177.584 0.004 0.000 1.186 145 A CA 1.933 53.972 52.037 0.004 0.000 0.624 145 A CB -0.759 18.243 19.000 0.003 0.000 0.822 145 A HN 0.459 nan 8.150 nan 0.000 0.444 146 Q N -0.818 118.985 119.800 0.004 0.000 2.061 146 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 146 Q C 2.142 178.144 176.000 0.004 0.000 0.984 146 Q CA 1.869 57.675 55.803 0.004 0.000 0.846 146 Q CB -0.246 28.495 28.738 0.004 0.000 0.902 146 Q HN 0.487 nan 8.270 nan 0.000 0.421 147 V N -0.405 119.513 119.914 0.006 0.000 2.358 147 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 147 V C 2.105 178.203 176.094 0.008 0.000 1.047 147 V CA 1.872 64.176 62.300 0.008 0.000 1.035 147 V CB -0.892 30.937 31.823 0.011 0.000 0.658 147 V HN 0.556 nan 8.190 nan 0.000 0.452 148 G N -0.378 108.427 108.800 0.008 0.000 2.408 148 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 148 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 148 G C 1.813 176.715 174.900 0.002 0.000 1.150 148 G CA 1.532 46.636 45.100 0.007 0.000 0.776 148 G HN 0.525 nan 8.290 nan 0.000 0.542 149 T N -0.451 114.104 114.554 0.001 0.000 2.951 149 T HA 0.060 4.410 4.350 -0.000 0.000 0.268 149 T C 2.388 177.086 174.700 -0.004 0.000 1.073 149 T CA 0.896 62.994 62.100 -0.002 0.000 1.134 149 T CB -0.203 68.663 68.868 -0.002 0.000 0.884 149 T HN 0.227 nan 8.240 nan 0.000 0.479 150 I N 1.741 122.310 120.570 -0.002 0.000 2.202 150 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 150 I C 2.819 178.933 176.117 -0.005 0.000 1.091 150 I CA 1.408 62.706 61.300 -0.004 0.000 1.368 150 I CB -0.309 37.690 38.000 -0.002 0.000 1.058 150 I HN 0.285 nan 8.210 nan 0.000 0.410 151 S N 0.882 116.581 115.700 -0.002 0.000 2.469 151 S HA -0.069 4.401 4.470 -0.000 0.000 0.238 151 S C 1.596 176.191 174.600 -0.009 0.000 0.998 151 S CA 1.027 59.225 58.200 -0.003 0.000 0.957 151 S CB -0.318 62.883 63.200 0.002 0.000 0.764 151 S HN 0.505 nan 8.310 nan 0.000 0.514 152 A N 1.330 124.145 122.820 -0.009 0.000 2.577 152 A HA 0.374 4.693 4.320 -0.000 0.000 0.280 152 A C 0.628 178.205 177.584 -0.013 0.000 1.331 152 A CA -0.516 51.513 52.037 -0.013 0.000 0.935 152 A CB -0.602 18.391 19.000 -0.011 0.000 1.082 152 A HN 0.434 nan 8.150 nan 0.000 0.525 153 N N 0.229 118.922 118.700 -0.012 0.000 2.756 153 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 153 N C 0.051 175.554 175.510 -0.012 0.000 1.062 153 N CA 0.820 53.862 53.050 -0.013 0.000 0.696 153 N CB -1.024 37.455 38.487 -0.014 0.000 0.946 153 N HN 0.484 nan 8.380 nan 0.000 0.548 154 S N -1.010 114.684 115.700 -0.011 0.000 3.490 154 S HA -0.212 4.258 4.470 -0.000 0.000 0.301 154 S C -0.315 174.280 174.600 -0.008 0.000 1.233 154 S CA 1.143 59.337 58.200 -0.009 0.000 0.914 154 S CB -0.725 62.468 63.200 -0.011 0.000 1.047 154 S HN 0.720 nan 8.310 nan 0.000 0.602 155 D N 1.625 122.020 120.400 -0.008 0.000 2.411 155 D HA 0.352 4.992 4.640 -0.000 0.000 0.225 155 D C 1.088 177.385 176.300 -0.005 0.000 1.156 155 D CA -0.439 53.557 54.000 -0.007 0.000 0.874 155 D CB 0.722 41.517 40.800 -0.008 0.000 1.034 155 D HN 0.596 nan 8.370 nan 0.000 0.502 156 E N 1.069 121.266 120.200 -0.005 0.000 2.333 156 E HA -0.155 4.194 4.350 -0.000 0.000 0.198 156 E C 1.243 177.841 176.600 -0.003 0.000 1.007 156 E CA 1.057 57.456 56.400 -0.003 0.000 0.845 156 E CB -0.172 29.526 29.700 -0.003 0.000 0.766 156 E HN 0.296 nan 8.360 nan 0.000 0.507 157 T N 0.670 115.222 114.554 -0.003 0.000 2.674 157 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 157 T C 2.005 176.703 174.700 -0.003 0.000 1.039 157 T CA 1.438 63.536 62.100 -0.003 0.000 1.150 157 T CB -0.394 68.472 68.868 -0.004 0.000 0.864 157 T HN 0.060 nan 8.240 nan 0.000 0.427 158 V N 1.622 121.534 119.914 -0.004 0.000 2.282 158 V HA -0.172 3.947 4.120 -0.000 0.000 0.249 158 V C 2.869 178.962 176.094 -0.001 0.000 1.057 158 V CA 2.066 64.364 62.300 -0.004 0.000 1.032 158 V CB -1.520 30.299 31.823 -0.007 0.000 0.645 158 V HN 0.623 nan 8.190 nan 0.000 0.447 159 G N -0.642 108.157 108.800 -0.001 0.000 2.514 159 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 159 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 159 G C 1.656 176.557 174.900 0.002 0.000 1.198 159 G CA 1.270 46.371 45.100 0.002 0.000 0.780 159 G HN 0.457 nan 8.290 nan 0.000 0.565 160 K N -0.358 120.043 120.400 0.001 0.000 2.059 160 K HA -0.042 4.278 4.320 -0.000 0.000 0.212 160 K C 2.619 179.220 176.600 0.002 0.000 1.050 160 K CA 1.237 57.525 56.287 0.001 0.000 0.927 160 K CB -0.311 32.190 32.500 0.000 0.000 0.714 160 K HN 0.305 nan 8.250 nan 0.000 0.447 161 L N 0.766 121.990 121.223 0.002 0.000 2.046 161 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 161 L C 2.284 179.157 176.870 0.005 0.000 1.077 161 L CA 0.737 55.578 54.840 0.002 0.000 0.747 161 L CB -0.378 41.681 42.059 0.001 0.000 0.896 161 L HN 0.236 nan 8.230 nan 0.000 0.432 162 I N 0.104 120.678 120.570 0.006 0.000 2.142 162 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 162 I C 2.893 179.016 176.117 0.009 0.000 1.078 162 I CA 1.576 62.883 61.300 0.010 0.000 1.343 162 I CB -1.466 36.542 38.000 0.013 0.000 1.046 162 I HN 0.200 nan 8.210 nan 0.000 0.405 163 A N 0.751 123.575 122.820 0.007 0.000 1.917 163 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 163 A C 2.272 179.859 177.584 0.005 0.000 1.182 163 A CA 2.082 54.122 52.037 0.006 0.000 0.633 163 A CB -0.789 18.214 19.000 0.005 0.000 0.819 163 A HN 0.513 nan 8.150 nan 0.000 0.448 164 E N -0.555 119.648 120.200 0.004 0.000 2.051 164 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 164 E C 2.403 179.005 176.600 0.004 0.000 0.991 164 E CA 0.999 57.401 56.400 0.003 0.000 0.799 164 E CB -0.318 29.383 29.700 0.002 0.000 0.748 164 E HN 0.632 nan 8.360 nan 0.000 0.449 165 A N 0.991 123.814 122.820 0.005 0.000 1.865 165 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 165 A C 2.158 179.745 177.584 0.005 0.000 1.191 165 A CA 1.643 53.683 52.037 0.006 0.000 0.623 165 A CB -0.533 18.472 19.000 0.008 0.000 0.826 165 A HN 0.184 nan 8.150 nan 0.000 0.444 166 M N -1.007 118.597 119.600 0.006 0.000 2.279 166 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 166 M C 1.769 178.071 176.300 0.004 0.000 1.062 166 M CA 1.960 57.263 55.300 0.006 0.000 1.099 166 M CB -0.224 32.380 32.600 0.007 0.000 1.394 166 M HN 0.616 nan 8.290 nan 0.000 0.426 167 D N -0.093 120.310 120.400 0.004 0.000 2.123 167 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 167 D C 1.836 178.137 176.300 0.002 0.000 0.976 167 D CA 1.208 55.210 54.000 0.003 0.000 0.831 167 D CB 0.179 40.980 40.800 0.002 0.000 0.974 167 D HN 0.060 nan 8.370 nan 0.000 0.469 168 K N -1.001 119.401 120.400 0.002 0.000 2.288 168 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 168 K C 1.018 177.619 176.600 0.001 0.000 1.048 168 K CA 0.541 56.829 56.287 0.002 0.000 0.956 168 K CB 0.330 32.831 32.500 0.002 0.000 0.746 168 K HN 0.065 nan 8.250 nan 0.000 0.461 169 V N -0.924 118.991 119.914 0.002 0.000 3.392 169 V HA 0.309 4.429 4.120 -0.000 0.000 0.294 169 V C -0.413 175.682 176.094 0.001 0.000 1.561 169 V CA 0.412 62.713 62.300 0.002 0.000 1.056 169 V CB 0.710 32.534 31.823 0.002 0.000 0.882 169 V HN 0.449 nan 8.190 nan 0.000 0.440 170 G N 0.832 109.633 108.800 0.001 0.000 2.692 170 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.686 170 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.686 170 G C 0.117 175.018 174.900 0.001 0.000 1.243 170 G CA 0.078 45.178 45.100 0.001 0.000 0.782 170 G HN 0.229 nan 8.290 nan 0.000 0.625 171 K N 0.090 120.491 120.400 0.001 0.000 2.097 171 K HA -0.068 4.251 4.320 -0.000 0.000 0.206 171 K C 1.841 178.441 176.600 0.000 0.000 1.049 171 K CA 1.688 57.976 56.287 0.002 0.000 0.933 171 K CB -0.011 32.491 32.500 0.003 0.000 0.717 171 K HN 0.400 nan 8.250 nan 0.000 0.442 172 E N 0.283 120.482 120.200 -0.002 0.000 2.502 172 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 172 E C 0.694 177.291 176.600 -0.005 0.000 1.062 172 E CA 0.070 56.467 56.400 -0.004 0.000 0.867 172 E CB -0.087 29.611 29.700 -0.003 0.000 0.888 172 E HN 0.296 nan 8.360 nan 0.000 0.510 173 G N 0.240 109.039 108.800 -0.003 0.000 2.616 173 G HA2 0.263 4.223 3.960 -0.000 0.000 0.268 173 G HA3 0.263 4.223 3.960 -0.000 0.000 0.268 173 G C -0.437 174.460 174.900 -0.004 0.000 1.213 173 G CA -0.343 44.756 45.100 -0.002 0.000 0.926 173 G HN 0.122 nan 8.290 nan 0.000 0.523 174 V N 0.148 120.060 119.914 -0.003 0.000 2.432 174 V HA 0.692 4.812 4.120 -0.000 0.000 0.275 174 V C -0.360 175.733 176.094 -0.001 0.000 1.043 174 V CA -0.657 61.640 62.300 -0.006 0.000 0.925 174 V CB 0.364 32.182 31.823 -0.008 0.000 0.985 174 V HN 0.453 nan 8.190 nan 0.000 0.466 175 I N 6.413 126.984 120.570 0.002 0.000 2.499 175 I HA 0.515 4.685 4.170 -0.000 0.000 0.288 175 I C 0.110 176.237 176.117 0.016 0.000 1.048 175 I CA -0.387 60.919 61.300 0.010 0.000 1.062 175 I CB 2.444 40.454 38.000 0.017 0.000 1.238 175 I HN 0.787 nan 8.210 nan 0.000 0.426 176 T N 2.646 117.208 114.554 0.014 0.000 2.940 176 T HA 0.784 5.134 4.350 -0.000 0.000 0.288 176 T C -0.460 174.250 174.700 0.017 0.000 1.045 176 T CA -0.855 61.257 62.100 0.018 0.000 1.018 176 T CB 2.287 71.160 68.868 0.009 0.000 1.151 176 T HN 0.190 nan 8.240 nan 0.000 0.529 177 V N 1.081 121.005 119.914 0.017 0.000 2.540 177 V HA 0.578 4.697 4.120 -0.000 0.000 0.302 177 V C -0.325 175.770 176.094 0.002 0.000 1.035 177 V CA -0.778 61.526 62.300 0.007 0.000 0.873 177 V CB 1.364 33.189 31.823 0.003 0.000 0.992 177 V HN 0.977 nan 8.190 nan 0.000 0.428 178 E N 1.377 121.577 120.200 -0.001 0.000 2.393 178 E HA 0.440 4.790 4.350 -0.000 0.000 0.265 178 E C -1.485 175.112 176.600 -0.005 0.000 0.941 178 E CA -1.119 55.279 56.400 -0.003 0.000 0.801 178 E CB 1.570 31.268 29.700 -0.004 0.000 1.313 178 E HN 0.622 nan 8.360 nan 0.000 0.435 179 D N 0.635 121.032 120.400 -0.005 0.000 2.423 179 D HA 0.200 4.840 4.640 -0.000 0.000 0.238 179 D C 0.164 176.461 176.300 -0.005 0.000 1.142 179 D CA 0.421 54.418 54.000 -0.005 0.000 0.884 179 D CB 0.738 41.535 40.800 -0.005 0.000 1.199 179 D HN 0.477 nan 8.370 nan 0.000 0.438 180 G N -0.647 108.150 108.800 -0.005 0.000 2.557 180 G HA2 0.402 4.362 3.960 -0.000 0.000 0.292 180 G HA3 0.402 4.362 3.960 -0.000 0.000 0.292 180 G C 0.686 175.583 174.900 -0.004 0.000 1.237 180 G CA -0.225 44.872 45.100 -0.004 0.000 0.978 180 G HN 0.469 nan 8.290 nan 0.000 0.498 181 T N -3.723 110.829 114.554 -0.004 0.000 2.975 181 T HA 0.520 4.870 4.350 -0.000 0.000 0.257 181 T C 0.944 175.642 174.700 -0.003 0.000 1.003 181 T CA 0.743 62.840 62.100 -0.004 0.000 0.932 181 T CB 0.637 69.502 68.868 -0.004 0.000 1.087 181 T HN 1.153 nan 8.240 nan 0.000 0.512 182 G N 0.993 109.791 108.800 -0.003 0.000 2.726 182 G HA2 0.461 4.420 3.960 -0.000 0.000 0.198 182 G HA3 0.461 4.420 3.960 -0.000 0.000 0.198 182 G C -0.178 174.720 174.900 -0.003 0.000 1.195 182 G CA -0.117 44.982 45.100 -0.003 0.000 0.951 182 G HN 0.117 nan 8.290 nan 0.000 0.532 183 L N -0.012 121.209 121.223 -0.003 0.000 2.131 183 L HA 0.345 4.685 4.340 -0.000 0.000 0.206 183 L C 1.050 177.918 176.870 -0.003 0.000 1.087 183 L CA 1.217 56.056 54.840 -0.003 0.000 0.767 183 L CB -0.472 41.585 42.059 -0.002 0.000 0.917 183 L HN 0.331 nan 8.230 nan 0.000 0.441 184 Q N 1.646 121.444 119.800 -0.003 0.000 2.352 184 Q HA 0.092 4.432 4.340 -0.000 0.000 0.260 184 Q C -0.667 175.331 176.000 -0.003 0.000 0.976 184 Q CA -0.066 55.735 55.803 -0.003 0.000 0.881 184 Q CB 0.421 29.157 28.738 -0.002 0.000 1.235 184 Q HN 0.301 nan 8.270 nan 0.000 0.419 185 D N 1.999 122.397 120.400 -0.003 0.000 2.362 185 D HA 0.139 4.779 4.640 -0.000 0.000 0.242 185 D C 0.041 176.340 176.300 -0.002 0.000 1.132 185 D CA 0.272 54.270 54.000 -0.003 0.000 0.907 185 D CB 0.957 41.755 40.800 -0.002 0.000 1.195 185 D HN 0.307 nan 8.370 nan 0.000 0.429 186 E N 0.425 120.624 120.200 -0.002 0.000 2.343 186 E HA 0.567 4.917 4.350 -0.000 0.000 0.270 186 E C -0.974 175.625 176.600 -0.001 0.000 0.895 186 E CA -1.024 55.375 56.400 -0.002 0.000 0.767 186 E CB 2.722 32.421 29.700 -0.002 0.000 1.248 186 E HN 0.111 nan 8.360 nan 0.000 0.440 187 L N 2.268 123.490 121.223 -0.001 0.000 2.441 187 L HA 0.410 4.750 4.340 -0.000 0.000 0.270 187 L C -1.987 174.883 176.870 -0.001 0.000 0.973 187 L CA -0.263 54.577 54.840 -0.000 0.000 0.842 187 L CB 1.370 43.430 42.059 0.001 0.000 1.239 187 L HN 0.545 nan 8.230 nan 0.000 0.406 188 D N 3.724 124.123 120.400 -0.001 0.000 2.596 188 D HA 0.487 5.127 4.640 -0.000 0.000 0.234 188 D C -1.071 175.228 176.300 -0.001 0.000 1.181 188 D CA -0.529 53.470 54.000 -0.001 0.000 0.856 188 D CB 2.050 42.849 40.800 -0.002 0.000 1.498 188 D HN 0.258 nan 8.370 nan 0.000 0.446 189 V N 0.392 120.306 119.914 -0.001 0.000 2.481 189 V HA 0.594 4.714 4.120 -0.000 0.000 0.286 189 V C 0.023 176.117 176.094 -0.001 0.000 1.042 189 V CA -0.667 61.633 62.300 -0.000 0.000 0.928 189 V CB 1.506 33.329 31.823 0.000 0.000 0.986 189 V HN 0.530 nan 8.190 nan 0.000 0.462 190 V N 2.855 122.769 119.914 -0.000 0.000 2.925 190 V HA 0.455 4.575 4.120 -0.000 0.000 0.311 190 V C -0.396 175.698 176.094 0.001 0.000 1.104 190 V CA -0.798 61.501 62.300 -0.001 0.000 0.954 190 V CB 2.530 34.351 31.823 -0.003 0.000 1.022 190 V HN 0.904 nan 8.190 nan 0.000 0.427 191 E N 2.377 122.578 120.200 0.001 0.000 2.452 191 E HA 0.486 4.836 4.350 -0.000 0.000 0.261 191 E C 0.327 176.932 176.600 0.008 0.000 0.987 191 E CA 0.807 57.210 56.400 0.004 0.000 0.926 191 E CB 0.983 30.686 29.700 0.004 0.000 0.934 191 E HN 1.015 nan 8.360 nan 0.000 0.452 192 G N 0.955 109.763 108.800 0.014 0.000 2.320 192 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 192 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 192 G C -1.342 173.577 174.900 0.032 0.000 1.306 192 G CA -0.705 44.408 45.100 0.021 0.000 0.836 192 G HN 0.408 nan 8.290 nan 0.000 0.517 193 M N 0.016 119.642 119.600 0.044 0.000 2.523 193 M HA 0.515 4.994 4.480 -0.000 0.000 0.287 193 M C -2.002 174.339 176.300 0.068 0.000 1.160 193 M CA -0.587 54.756 55.300 0.072 0.000 0.902 193 M CB 2.474 35.145 32.600 0.118 0.000 1.752 193 M HN 0.764 nan 8.290 nan 0.000 0.504 194 Q N 3.604 123.444 119.800 0.067 0.000 2.337 194 Q HA 0.719 5.059 4.340 -0.000 0.000 0.270 194 Q C -2.035 174.033 176.000 0.113 0.000 1.043 194 Q CA -0.681 55.130 55.803 0.013 0.000 0.794 194 Q CB 1.868 30.583 28.738 -0.039 0.000 1.281 194 Q HN 0.566 nan 8.270 nan 0.000 0.446 195 F N -0.201 119.739 119.950 -0.017 0.000 2.611 195 F HA 0.563 5.090 4.527 -0.000 0.000 0.324 195 F C -0.775 175.014 175.800 -0.019 0.000 1.061 195 F CA -1.262 56.729 58.000 -0.016 0.000 0.954 195 F CB 1.156 40.149 39.000 -0.011 0.000 1.301 195 F HN 0.392 nan 8.300 nan 0.000 0.482 196 D N 1.669 122.178 120.400 0.181 0.000 2.896 196 D HA 0.267 4.907 4.640 -0.000 0.000 0.240 196 D C -0.619 175.724 176.300 0.073 0.000 1.193 196 D CA -0.071 53.964 54.000 0.059 0.000 0.983 196 D CB 0.008 40.842 40.800 0.057 0.000 1.074 196 D HN 0.190 nan 8.370 nan 0.000 0.496 197 R N 0.680 121.194 120.500 0.022 0.000 2.574 197 R HA 0.581 4.921 4.340 -0.000 0.000 0.288 197 R C 0.274 176.515 176.300 -0.098 0.000 1.004 197 R CA -0.759 55.365 56.100 0.040 0.000 0.895 197 R CB 1.860 32.306 30.300 0.243 0.000 1.191 197 R HN 0.278 nan 8.270 nan 0.000 0.444 198 G N 1.200 109.920 108.800 -0.132 0.000 2.537 198 G HA2 0.384 4.344 3.960 -0.000 0.000 0.297 198 G HA3 0.384 4.344 3.960 -0.000 0.000 0.297 198 G C -0.538 174.263 174.900 -0.165 0.000 1.310 198 G CA -0.481 44.454 45.100 -0.275 0.000 1.027 198 G HN 0.459 nan 8.290 nan 0.000 0.505 199 Y N -1.372 118.950 120.300 0.035 0.000 2.550 199 Y HA 0.310 4.860 4.550 -0.000 0.000 0.343 199 Y C 1.234 177.221 175.900 0.146 0.000 1.245 199 Y CA -0.968 57.192 58.100 0.101 0.000 1.462 199 Y CB 0.388 38.953 38.460 0.175 0.000 1.340 199 Y HN 0.190 nan 8.280 nan 0.000 0.604 200 L N 1.419 122.925 121.223 0.471 0.000 2.341 200 L HA 0.073 4.413 4.340 -0.000 0.000 0.214 200 L C 0.681 177.778 176.870 0.378 0.000 1.115 200 L CA 0.958 56.019 54.840 0.368 0.000 0.820 200 L CB -0.088 42.152 42.059 0.302 0.000 0.944 200 L HN 0.845 nan 8.230 nan 0.000 0.452 201 S N -2.304 113.662 115.700 0.443 0.000 2.546 201 S HA 0.406 4.876 4.470 -0.000 0.000 0.274 201 S C -2.343 172.130 174.600 -0.211 0.000 1.121 201 S CA -1.248 56.999 58.200 0.077 0.000 0.887 201 S CB 1.824 64.959 63.200 -0.109 0.000 1.094 201 S HN -0.255 nan 8.310 nan 0.000 0.474 202 P HA -0.043 nan 4.420 nan 0.000 0.226 202 P C 0.318 177.176 177.300 -0.737 0.000 1.146 202 P CA 1.040 63.680 63.100 -0.768 0.000 0.773 202 P CB -0.216 31.135 31.700 -0.582 0.000 0.772 203 Y N -2.662 117.357 120.300 -0.467 0.000 2.475 203 Y HA 0.042 4.592 4.550 -0.000 0.000 0.289 203 Y C 1.818 177.487 175.900 -0.385 0.000 1.121 203 Y CA 0.436 58.283 58.100 -0.421 0.000 1.257 203 Y CB -1.188 37.015 38.460 -0.430 0.000 1.026 203 Y HN -0.091 nan 8.280 nan 0.000 0.555 204 F N -0.014 119.895 119.950 -0.067 0.000 2.451 204 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 204 F C 0.958 176.703 175.800 -0.092 0.000 1.101 204 F CA -0.086 57.883 58.000 -0.053 0.000 1.436 204 F CB -0.993 37.991 39.000 -0.028 0.000 1.074 204 F HN -0.143 nan 8.300 nan 0.000 0.553 205 I N 2.823 123.358 120.570 -0.058 0.000 2.818 205 I HA -0.176 3.994 4.170 -0.000 0.000 0.285 205 I C 0.874 176.980 176.117 -0.018 0.000 1.160 205 I CA 0.222 61.475 61.300 -0.078 0.000 1.370 205 I CB -0.083 37.805 38.000 -0.186 0.000 1.440 205 I HN 0.206 nan 8.210 nan 0.000 0.555 206 N N 5.696 124.406 118.700 0.017 0.000 2.280 206 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 206 N C 0.042 175.550 175.510 -0.003 0.000 1.109 206 N CA 0.195 53.252 53.050 0.010 0.000 0.855 206 N CB 0.334 38.837 38.487 0.026 0.000 0.974 206 N HN 0.398 nan 8.380 nan 0.000 0.482 207 K N 1.110 121.508 120.400 -0.002 0.000 2.679 207 K HA 0.238 4.558 4.320 -0.000 0.000 0.188 207 K C -2.078 174.516 176.600 -0.010 0.000 1.055 207 K CA -1.675 54.609 56.287 -0.006 0.000 1.006 207 K CB 2.025 34.528 32.500 0.005 0.000 1.317 207 K HN 0.016 nan 8.250 nan 0.000 0.584 208 P HA -0.183 nan 4.420 nan 0.000 0.221 208 P C 0.295 177.583 177.300 -0.020 0.000 1.145 208 P CA 1.305 64.386 63.100 -0.032 0.000 0.795 208 P CB 0.447 32.118 31.700 -0.048 0.000 0.775 209 E N -0.458 119.732 120.200 -0.017 0.000 2.107 209 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 209 E C 1.791 178.390 176.600 -0.002 0.000 0.982 209 E CA 1.356 57.749 56.400 -0.012 0.000 0.809 209 E CB -1.420 28.272 29.700 -0.014 0.000 0.756 209 E HN 0.214 nan 8.360 nan 0.000 0.459 210 T N -0.563 113.995 114.554 0.007 0.000 3.081 210 T HA 0.184 4.534 4.350 -0.000 0.000 0.255 210 T C 1.279 176.003 174.700 0.040 0.000 1.113 210 T CA 0.498 62.613 62.100 0.024 0.000 1.082 210 T CB 0.026 68.913 68.868 0.031 0.000 0.939 210 T HN 0.408 nan 8.240 nan 0.000 0.506 211 G N 1.757 110.574 108.800 0.029 0.000 2.305 211 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.287 211 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.287 211 G C 0.090 175.048 174.900 0.097 0.000 1.036 211 G CA 0.110 45.236 45.100 0.044 0.000 0.887 211 G HN 0.892 nan 8.290 nan 0.000 0.505 212 A N -1.325 121.539 122.820 0.074 0.000 2.350 212 A HA 0.929 5.249 4.320 -0.000 0.000 0.318 212 A C -0.099 177.534 177.584 0.081 0.000 1.132 212 A CA -0.328 51.772 52.037 0.106 0.000 0.811 212 A CB 2.046 21.090 19.000 0.074 0.000 1.313 212 A HN 1.196 nan 8.150 nan 0.000 0.454 213 V N 0.840 120.820 119.914 0.110 0.000 2.417 213 V HA 0.525 4.645 4.120 -0.000 0.000 0.291 213 V C -0.186 175.938 176.094 0.050 0.000 1.024 213 V CA -0.340 62.010 62.300 0.083 0.000 0.861 213 V CB 1.188 33.083 31.823 0.121 0.000 0.985 213 V HN 0.920 nan 8.190 nan 0.000 0.436 214 E N 4.391 124.611 120.200 0.033 0.000 2.244 214 E HA 0.635 4.985 4.350 -0.000 0.000 0.260 214 E C -1.698 174.908 176.600 0.011 0.000 0.884 214 E CA -0.485 55.925 56.400 0.017 0.000 0.777 214 E CB 1.665 31.374 29.700 0.014 0.000 1.197 214 E HN 0.616 nan 8.360 nan 0.000 0.416 215 L N 3.151 124.375 121.223 0.002 0.000 2.362 215 L HA 0.519 4.859 4.340 -0.000 0.000 0.271 215 L C -0.259 176.603 176.870 -0.013 0.000 1.002 215 L CA -0.942 53.896 54.840 -0.002 0.000 0.818 215 L CB 1.927 43.984 42.059 -0.003 0.000 1.298 215 L HN 0.383 nan 8.230 nan 0.000 0.420 216 E N 1.287 121.477 120.200 -0.017 0.000 2.166 216 E HA 0.272 4.621 4.350 -0.000 0.000 0.275 216 E C -0.242 176.327 176.600 -0.052 0.000 0.941 216 E CA -0.610 55.773 56.400 -0.029 0.000 0.784 216 E CB 1.754 31.441 29.700 -0.022 0.000 1.115 216 E HN 0.609 nan 8.360 nan 0.000 0.399 217 S N 1.747 117.403 115.700 -0.073 0.000 3.549 217 S HA -0.125 4.345 4.470 -0.000 0.000 0.366 217 S C -2.119 172.369 174.600 -0.187 0.000 1.012 217 S CA 0.379 58.502 58.200 -0.128 0.000 1.141 217 S CB -1.303 61.820 63.200 -0.129 0.000 0.910 217 S HN 0.476 nan 8.310 nan 0.000 0.471 218 P HA 0.401 nan 4.420 nan 0.000 0.277 218 P C 0.048 177.264 177.300 -0.140 0.000 1.240 218 P CA -0.508 62.538 63.100 -0.089 0.000 0.798 218 P CB 0.434 32.122 31.700 -0.020 0.000 0.979 219 F N 1.244 121.194 119.950 0.001 0.000 2.389 219 F HA 0.333 4.860 4.527 -0.000 0.000 0.337 219 F C 0.973 176.773 175.800 0.001 0.000 1.112 219 F CA 0.106 58.107 58.000 0.001 0.000 1.192 219 F CB 0.384 39.384 39.000 0.001 0.000 1.185 219 F HN 0.082 nan 8.300 nan 0.000 0.552 220 I N 4.217 124.917 120.570 0.217 0.000 2.418 220 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 220 I C -1.167 175.008 176.117 0.098 0.000 1.008 220 I CA -0.818 60.554 61.300 0.121 0.000 1.104 220 I CB 1.678 39.732 38.000 0.089 0.000 1.264 220 I HN 0.270 nan 8.210 nan 0.000 0.438 221 L N 8.343 129.605 121.223 0.065 0.000 2.264 221 L HA 0.543 4.883 4.340 -0.000 0.000 0.289 221 L C -1.087 175.799 176.870 0.027 0.000 1.044 221 L CA -0.057 54.804 54.840 0.035 0.000 0.807 221 L CB 0.765 42.835 42.059 0.018 0.000 1.192 221 L HN 0.449 nan 8.230 nan 0.000 0.425 222 L N 6.343 127.577 121.223 0.018 0.000 2.276 222 L HA 0.793 5.133 4.340 -0.000 0.000 0.286 222 L C -0.116 176.753 176.870 -0.002 0.000 1.024 222 L CA -0.323 54.520 54.840 0.005 0.000 0.826 222 L CB 1.374 43.432 42.059 -0.002 0.000 1.211 222 L HN 0.801 nan 8.230 nan 0.000 0.422 223 A N 1.855 124.674 122.820 -0.002 0.000 2.357 223 A HA 0.440 4.760 4.320 -0.000 0.000 0.295 223 A C -0.912 176.669 177.584 -0.004 0.000 1.121 223 A CA -0.536 51.500 52.037 -0.002 0.000 0.742 223 A CB 0.989 19.991 19.000 0.003 0.000 1.181 223 A HN 0.670 nan 8.150 nan 0.000 0.454 224 D N 2.571 122.967 120.400 -0.007 0.000 2.483 224 D HA 0.470 5.110 4.640 -0.000 0.000 0.220 224 D C -0.105 176.196 176.300 0.001 0.000 1.173 224 D CA 0.337 54.332 54.000 -0.007 0.000 0.964 224 D CB -0.399 40.392 40.800 -0.014 0.000 1.046 224 D HN 0.675 nan 8.370 nan 0.000 0.517 225 K N 0.141 120.546 120.400 0.007 0.000 3.076 225 K HA 0.182 4.502 4.320 -0.000 0.000 0.314 225 K C -1.560 175.051 176.600 0.018 0.000 1.113 225 K CA -1.066 55.229 56.287 0.012 0.000 0.860 225 K CB 0.333 32.839 32.500 0.009 0.000 1.435 225 K HN -0.086 nan 8.250 nan 0.000 0.374 226 K N 1.469 121.881 120.400 0.021 0.000 2.297 226 K HA 0.354 4.674 4.320 -0.000 0.000 0.286 226 K C -0.455 176.160 176.600 0.025 0.000 1.053 226 K CA -0.400 55.903 56.287 0.026 0.000 0.940 226 K CB 0.644 33.160 32.500 0.027 0.000 1.019 226 K HN 0.400 nan 8.250 nan 0.000 0.475 227 I N 3.222 123.811 120.570 0.030 0.000 2.310 227 I HA 0.003 4.173 4.170 -0.000 0.000 0.287 227 I C 0.683 176.821 176.117 0.035 0.000 1.073 227 I CA 0.056 61.375 61.300 0.030 0.000 1.216 227 I CB 1.042 39.061 38.000 0.032 0.000 1.415 227 I HN 0.683 nan 8.210 nan 0.000 0.480 228 S N 3.633 119.350 115.700 0.029 0.000 2.412 228 S HA 0.129 4.599 4.470 -0.000 0.000 0.223 228 S C 0.854 175.470 174.600 0.027 0.000 1.048 228 S CA 0.203 58.420 58.200 0.029 0.000 0.954 228 S CB 0.089 63.303 63.200 0.023 0.000 0.840 228 S HN 0.589 nan 8.310 nan 0.000 0.503 229 N N 1.479 120.192 118.700 0.022 0.000 2.524 229 N HA 0.261 5.001 4.740 -0.000 0.000 0.283 229 N C 0.360 175.882 175.510 0.020 0.000 1.142 229 N CA -0.133 52.928 53.050 0.019 0.000 0.984 229 N CB 1.500 39.995 38.487 0.014 0.000 1.155 229 N HN 0.103 nan 8.380 nan 0.000 0.467 230 I N 1.820 122.401 120.570 0.019 0.000 3.030 230 I HA -0.043 4.127 4.170 -0.000 0.000 0.270 230 I C 1.819 177.943 176.117 0.013 0.000 1.211 230 I CA 0.349 61.661 61.300 0.019 0.000 1.479 230 I CB 0.181 38.193 38.000 0.021 0.000 1.105 230 I HN 0.427 nan 8.210 nan 0.000 0.447 231 R N 1.088 121.594 120.500 0.010 0.000 2.119 231 R HA -0.236 4.103 4.340 -0.000 0.000 0.246 231 R C 1.833 178.136 176.300 0.004 0.000 1.146 231 R CA 2.165 58.269 56.100 0.006 0.000 0.962 231 R CB -0.420 29.883 30.300 0.005 0.000 0.863 231 R HN 0.542 nan 8.270 nan 0.000 0.442 232 E N -0.068 120.135 120.200 0.005 0.000 2.268 232 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 232 E C 1.890 178.490 176.600 0.000 0.000 0.995 232 E CA 0.760 57.162 56.400 0.003 0.000 0.836 232 E CB -0.025 29.678 29.700 0.005 0.000 0.763 232 E HN 0.261 nan 8.360 nan 0.000 0.491 233 M N 0.544 120.146 119.600 0.004 0.000 2.134 233 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 233 M C 2.421 178.719 176.300 -0.004 0.000 1.076 233 M CA 1.053 56.354 55.300 0.002 0.000 1.143 233 M CB -0.904 31.703 32.600 0.012 0.000 1.346 233 M HN 0.122 nan 8.290 nan 0.000 0.421 234 L N 0.541 121.763 121.223 -0.001 0.000 2.040 234 L HA -0.285 4.055 4.340 -0.000 0.000 0.228 234 L C -0.371 176.491 176.870 -0.013 0.000 1.092 234 L CA 2.077 56.914 54.840 -0.004 0.000 0.805 234 L CB -2.889 39.169 42.059 -0.002 0.000 0.905 234 L HN 0.189 nan 8.230 nan 0.000 0.443 235 P HA -0.151 nan 4.420 nan 0.000 0.216 235 P C 1.846 179.123 177.300 -0.038 0.000 1.153 235 P CA 1.683 64.768 63.100 -0.024 0.000 0.858 235 P CB -0.051 31.636 31.700 -0.022 0.000 0.789 236 V N 0.234 120.124 119.914 -0.040 0.000 2.302 236 V HA -0.165 3.955 4.120 -0.000 0.000 0.243 236 V C 2.858 178.916 176.094 -0.060 0.000 1.036 236 V CA 1.255 63.518 62.300 -0.062 0.000 1.020 236 V CB -1.361 30.428 31.823 -0.056 0.000 0.657 236 V HN -0.014 nan 8.190 nan 0.000 0.453 237 L N -0.083 121.121 121.223 -0.032 0.000 2.081 237 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 237 L C 2.631 179.491 176.870 -0.017 0.000 1.080 237 L CA 1.857 56.687 54.840 -0.017 0.000 0.754 237 L CB -0.481 41.578 42.059 0.000 0.000 0.893 237 L HN 0.466 nan 8.230 nan 0.000 0.433 238 E N -0.378 119.809 120.200 -0.022 0.000 2.046 238 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 238 E C 2.270 178.851 176.600 -0.031 0.000 0.982 238 E CA 0.991 57.379 56.400 -0.019 0.000 0.800 238 E CB -0.152 29.538 29.700 -0.016 0.000 0.756 238 E HN 0.477 nan 8.360 nan 0.000 0.449 239 A N 0.836 123.622 122.820 -0.056 0.000 2.019 239 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 239 A C 2.386 179.902 177.584 -0.114 0.000 1.164 239 A CA 1.023 53.009 52.037 -0.086 0.000 0.644 239 A CB -0.416 18.515 19.000 -0.116 0.000 0.805 239 A HN 0.114 nan 8.150 nan 0.000 0.449 240 V N -0.553 119.297 119.914 -0.107 0.000 2.407 240 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 240 V C 3.004 179.117 176.094 0.031 0.000 1.041 240 V CA 1.626 63.884 62.300 -0.070 0.000 1.040 240 V CB -0.988 30.814 31.823 -0.034 0.000 0.671 240 V HN 0.585 nan 8.190 nan 0.000 0.455 241 A N -0.669 122.162 122.820 0.018 0.000 1.972 241 A HA -0.231 4.088 4.320 -0.000 0.000 0.219 241 A C 2.301 179.905 177.584 0.033 0.000 1.169 241 A CA 1.788 53.845 52.037 0.032 0.000 0.635 241 A CB -0.438 18.574 19.000 0.020 0.000 0.810 241 A HN 0.462 nan 8.150 nan 0.000 0.446 242 K N -0.629 119.782 120.400 0.019 0.000 2.148 242 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 242 K C 1.905 178.532 176.600 0.044 0.000 1.050 242 K CA 0.994 57.293 56.287 0.020 0.000 0.942 242 K CB -0.178 32.323 32.500 0.002 0.000 0.724 242 K HN 0.456 nan 8.250 nan 0.000 0.446 243 A N -0.170 122.696 122.820 0.076 0.000 2.218 243 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 243 A C 1.373 179.029 177.584 0.120 0.000 1.168 243 A CA 0.948 53.065 52.037 0.134 0.000 0.804 243 A CB -0.152 19.017 19.000 0.282 0.000 0.834 243 A HN 0.422 nan 8.150 nan 0.000 0.482 244 G N -0.667 108.190 108.800 0.095 0.000 2.168 244 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 244 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 244 G C 0.292 175.238 174.900 0.076 0.000 0.977 244 G CA 0.975 46.117 45.100 0.071 0.000 0.659 244 G HN 0.604 nan 8.290 nan 0.000 0.533 245 K N 1.026 121.500 120.400 0.123 0.000 2.095 245 K HA 0.567 4.887 4.320 -0.000 0.000 0.252 245 K C -1.862 174.812 176.600 0.123 0.000 0.977 245 K CA -1.753 54.592 56.287 0.095 0.000 0.900 245 K CB 1.554 34.079 32.500 0.041 0.000 1.060 245 K HN 0.089 nan 8.250 nan 0.000 0.449 246 P HA 0.209 nan 4.420 nan 0.000 0.279 246 P C -1.382 175.983 177.300 0.108 0.000 1.282 246 P CA -0.559 62.586 63.100 0.074 0.000 0.788 246 P CB 0.603 32.325 31.700 0.037 0.000 1.139 247 L N 0.042 121.311 121.223 0.076 0.000 2.464 247 L HA 0.552 4.892 4.340 -0.000 0.000 0.266 247 L C -1.630 175.251 176.870 0.017 0.000 0.965 247 L CA -0.934 53.955 54.840 0.081 0.000 0.833 247 L CB 1.705 43.810 42.059 0.078 0.000 1.296 247 L HN 0.143 nan 8.230 nan 0.000 0.405 248 L N 5.754 126.993 121.223 0.027 0.000 2.282 248 L HA 0.628 4.968 4.340 -0.000 0.000 0.288 248 L C -1.054 175.818 176.870 0.003 0.000 1.033 248 L CA -0.188 54.647 54.840 -0.009 0.000 0.807 248 L CB 1.172 43.240 42.059 0.016 0.000 1.209 248 L HN 0.475 nan 8.230 nan 0.000 0.423 249 I N 7.035 127.585 120.570 -0.033 0.000 2.312 249 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 249 I C -0.262 175.866 176.117 0.018 0.000 1.008 249 I CA -0.215 61.080 61.300 -0.007 0.000 1.226 249 I CB 1.096 39.083 38.000 -0.021 0.000 1.371 249 I HN 0.554 nan 8.210 nan 0.000 0.468 250 I N 6.022 126.617 120.570 0.041 0.000 2.371 250 I HA 0.564 4.734 4.170 -0.000 0.000 0.282 250 I C 0.291 176.423 176.117 0.024 0.000 1.031 250 I CA -0.197 61.137 61.300 0.056 0.000 1.180 250 I CB 1.306 39.348 38.000 0.070 0.000 1.336 250 I HN 0.647 nan 8.210 nan 0.000 0.467 251 A N 4.493 127.331 122.820 0.029 0.000 2.486 251 A HA 0.444 4.764 4.320 -0.000 0.000 0.289 251 A C 0.887 178.485 177.584 0.024 0.000 1.176 251 A CA -0.555 51.494 52.037 0.020 0.000 0.757 251 A CB 1.446 20.461 19.000 0.024 0.000 1.337 251 A HN 0.723 nan 8.150 nan 0.000 0.423 252 E N -0.563 119.649 120.200 0.021 0.000 2.085 252 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 252 E C -0.320 176.305 176.600 0.042 0.000 0.994 252 E CA 1.787 58.204 56.400 0.028 0.000 0.801 252 E CB 0.122 29.839 29.700 0.028 0.000 0.743 252 E HN 0.598 nan 8.360 nan 0.000 0.453 253 D N -2.018 118.408 120.400 0.043 0.000 2.683 253 D HA 0.223 4.863 4.640 -0.000 0.000 0.246 253 D C -1.927 174.406 176.300 0.055 0.000 1.238 253 D CA -0.536 53.496 54.000 0.053 0.000 0.759 253 D CB 2.209 43.039 40.800 0.049 0.000 1.349 253 D HN -0.124 nan 8.370 nan 0.000 0.426 254 V N 2.263 122.219 119.914 0.070 0.000 2.409 254 V HA 0.446 4.565 4.120 -0.000 0.000 0.290 254 V C -0.042 176.102 176.094 0.084 0.000 1.017 254 V CA -0.631 61.715 62.300 0.077 0.000 0.841 254 V CB 1.537 33.415 31.823 0.091 0.000 1.003 254 V HN 0.416 nan 8.190 nan 0.000 0.426 255 E N 2.287 122.527 120.200 0.067 0.000 2.232 255 E HA 0.568 4.918 4.350 -0.000 0.000 0.264 255 E C 1.283 177.916 176.600 0.056 0.000 0.973 255 E CA 0.010 56.445 56.400 0.059 0.000 0.849 255 E CB 1.955 31.681 29.700 0.044 0.000 1.198 255 E HN 0.720 nan 8.360 nan 0.000 0.407 256 G N 1.904 110.734 108.800 0.049 0.000 3.572 256 G HA2 -0.474 3.486 3.960 -0.000 0.000 0.316 256 G HA3 -0.474 3.486 3.960 -0.000 0.000 0.316 256 G C 1.233 176.156 174.900 0.039 0.000 1.312 256 G CA 1.560 46.684 45.100 0.040 0.000 1.364 256 G HN 0.670 nan 8.290 nan 0.000 1.234 257 E N 1.005 121.225 120.200 0.033 0.000 2.000 257 E HA -0.100 4.249 4.350 -0.000 0.000 0.199 257 E C 3.045 179.667 176.600 0.036 0.000 1.011 257 E CA 1.795 58.212 56.400 0.029 0.000 0.836 257 E CB -0.644 29.070 29.700 0.024 0.000 0.778 257 E HN 0.530 nan 8.360 nan 0.000 0.462 258 A N 0.968 123.814 122.820 0.043 0.000 2.015 258 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 258 A C 2.167 179.797 177.584 0.078 0.000 1.163 258 A CA 1.131 53.199 52.037 0.052 0.000 0.646 258 A CB -0.512 18.517 19.000 0.048 0.000 0.806 258 A HN 0.342 nan 8.150 nan 0.000 0.448 259 L N 0.062 121.338 121.223 0.089 0.000 1.976 259 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 259 L C 2.652 179.584 176.870 0.104 0.000 1.071 259 L CA 2.444 57.362 54.840 0.131 0.000 0.746 259 L CB -1.005 41.129 42.059 0.124 0.000 0.890 259 L HN 0.312 nan 8.230 nan 0.000 0.432 260 A N -1.655 121.199 122.820 0.057 0.000 2.032 260 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 260 A C 2.186 179.774 177.584 0.007 0.000 1.165 260 A CA 2.364 54.412 52.037 0.017 0.000 0.645 260 A CB -1.234 17.770 19.000 0.007 0.000 0.807 260 A HN 0.616 nan 8.150 nan 0.000 0.453 261 T N 0.423 114.996 114.554 0.031 0.000 2.732 261 T HA -0.035 4.315 4.350 -0.000 0.000 0.261 261 T C 1.842 176.571 174.700 0.049 0.000 1.040 261 T CA 1.319 63.436 62.100 0.028 0.000 1.145 261 T CB -0.422 68.465 68.868 0.031 0.000 0.866 261 T HN 0.386 nan 8.240 nan 0.000 0.427 262 L N 0.966 122.249 121.223 0.101 0.000 2.013 262 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 262 L C 2.742 179.711 176.870 0.165 0.000 1.073 262 L CA 1.048 55.992 54.840 0.174 0.000 0.753 262 L CB -1.096 41.129 42.059 0.277 0.000 0.890 262 L HN 0.114 nan 8.230 nan 0.000 0.432 263 V N -0.222 119.732 119.914 0.066 0.000 2.278 263 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 263 V C 2.378 178.390 176.094 -0.136 0.000 1.062 263 V CA 2.047 64.252 62.300 -0.158 0.000 1.038 263 V CB -0.401 31.296 31.823 -0.211 0.000 0.646 263 V HN 0.261 nan 8.190 nan 0.000 0.447 264 V N -0.355 119.504 119.914 -0.092 0.000 2.719 264 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 264 V C 1.848 177.916 176.094 -0.044 0.000 1.065 264 V CA 1.892 64.136 62.300 -0.093 0.000 1.086 264 V CB -0.850 30.925 31.823 -0.080 0.000 0.700 264 V HN 0.607 nan 8.190 nan 0.000 0.467 265 N N 0.022 118.721 118.700 -0.002 0.000 2.422 265 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 265 N C 1.857 177.388 175.510 0.036 0.000 1.080 265 N CA 1.149 54.210 53.050 0.018 0.000 0.893 265 N CB 0.244 38.749 38.487 0.030 0.000 0.973 265 N HN 0.645 nan 8.380 nan 0.000 0.456 266 T N -1.832 112.757 114.554 0.058 0.000 3.051 266 T HA 0.073 4.423 4.350 -0.000 0.000 0.255 266 T C 1.783 176.500 174.700 0.028 0.000 1.085 266 T CA 0.034 62.179 62.100 0.074 0.000 1.109 266 T CB 0.053 69.022 68.868 0.169 0.000 0.921 266 T HN -0.073 nan 8.240 nan 0.000 0.488 267 M N 1.357 120.946 119.600 -0.018 0.000 2.117 267 M HA 0.151 4.631 4.480 -0.000 0.000 0.262 267 M C 2.219 178.494 176.300 -0.041 0.000 1.065 267 M CA 1.541 56.805 55.300 -0.060 0.000 1.114 267 M CB -0.228 32.296 32.600 -0.127 0.000 1.361 267 M HN 0.085 nan 8.290 nan 0.000 0.408 268 R N -0.722 119.760 120.500 -0.029 0.000 2.313 268 R HA 0.201 4.541 4.340 -0.000 0.000 0.199 268 R C 0.993 177.289 176.300 -0.006 0.000 0.958 268 R CA 0.606 56.694 56.100 -0.021 0.000 1.047 268 R CB -0.191 30.098 30.300 -0.019 0.000 0.955 268 R HN 0.641 nan 8.270 nan 0.000 0.481 269 G N 1.026 109.828 108.800 0.003 0.000 2.153 269 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 269 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 269 G C 0.742 175.653 174.900 0.017 0.000 0.994 269 G CA 0.343 45.451 45.100 0.013 0.000 0.698 269 G HN 0.342 nan 8.290 nan 0.000 0.521 270 I N -0.874 119.706 120.570 0.017 0.000 2.179 270 I HA -0.012 4.158 4.170 -0.000 0.000 0.242 270 I C 0.935 177.069 176.117 0.028 0.000 1.088 270 I CA 1.594 62.906 61.300 0.019 0.000 1.357 270 I CB -0.072 37.937 38.000 0.014 0.000 1.051 270 I HN 0.130 nan 8.210 nan 0.000 0.409 271 V N -0.037 119.900 119.914 0.038 0.000 2.851 271 V HA 0.257 4.377 4.120 -0.000 0.000 0.307 271 V C -0.776 175.354 176.094 0.060 0.000 1.129 271 V CA -1.168 61.160 62.300 0.047 0.000 0.932 271 V CB 1.870 33.720 31.823 0.046 0.000 1.024 271 V HN -0.022 nan 8.190 nan 0.000 0.426 272 K N 2.599 123.035 120.400 0.059 0.000 2.262 272 K HA 0.596 4.916 4.320 -0.000 0.000 0.288 272 K C -0.659 175.979 176.600 0.062 0.000 1.090 272 K CA 0.120 56.447 56.287 0.067 0.000 0.918 272 K CB 0.863 33.395 32.500 0.053 0.000 1.139 272 K HN 0.536 nan 8.250 nan 0.000 0.462 273 V N 1.431 121.394 119.914 0.082 0.000 2.815 273 V HA 0.875 4.995 4.120 -0.000 0.000 0.314 273 V C -0.462 175.538 176.094 -0.157 0.000 1.064 273 V CA -1.125 61.179 62.300 0.006 0.000 0.952 273 V CB 1.924 33.769 31.823 0.037 0.000 1.020 273 V HN 0.732 nan 8.190 nan 0.000 0.439 274 A N 1.996 124.575 122.820 -0.401 0.000 2.515 274 A HA 1.001 5.320 4.320 -0.000 0.000 0.298 274 A C -0.782 176.398 177.584 -0.672 0.000 1.059 274 A CA -0.243 51.217 52.037 -0.961 0.000 0.698 274 A CB 1.968 20.677 19.000 -0.485 0.000 1.289 274 A HN 1.685 nan 8.150 nan 0.000 0.404 275 A N 0.594 122.945 122.820 -0.783 0.000 2.374 275 A HA 0.813 5.132 4.320 -0.000 0.000 0.305 275 A C -0.524 177.020 177.584 -0.066 0.000 1.053 275 A CA -0.067 51.817 52.037 -0.256 0.000 0.726 275 A CB 1.273 20.202 19.000 -0.119 0.000 1.229 275 A HN 2.322 nan 8.150 nan 0.000 0.431 276 V N -0.431 119.495 119.914 0.019 0.000 2.925 276 V HA 0.617 4.737 4.120 -0.000 0.000 0.311 276 V C -0.426 175.739 176.094 0.118 0.000 1.104 276 V CA -1.268 61.086 62.300 0.090 0.000 0.954 276 V CB 1.648 33.535 31.823 0.106 0.000 1.022 276 V HN 0.832 nan 8.190 nan 0.000 0.427 277 K N 2.451 122.926 120.400 0.124 0.000 2.448 277 K HA 0.497 4.817 4.320 -0.000 0.000 0.278 277 K C 0.608 177.282 176.600 0.124 0.000 1.009 277 K CA 0.479 56.832 56.287 0.110 0.000 0.995 277 K CB 1.024 33.582 32.500 0.098 0.000 0.917 277 K HN 1.123 nan 8.250 nan 0.000 0.481 278 A N 4.920 127.764 122.820 0.041 0.000 2.466 278 A HA 0.188 4.508 4.320 -0.000 0.000 0.238 278 A C -2.078 175.471 177.584 -0.059 0.000 1.074 278 A CA -0.936 51.062 52.037 -0.066 0.000 0.774 278 A CB -0.384 18.571 19.000 -0.075 0.000 1.015 278 A HN 0.427 nan 8.150 nan 0.000 0.498 279 P HA 0.493 nan 4.420 nan 0.000 0.281 279 P C 0.593 177.873 177.300 -0.033 0.000 1.249 279 P CA 1.252 64.302 63.100 -0.084 0.000 0.810 279 P CB 0.855 32.412 31.700 -0.238 0.000 1.008 280 G N 1.300 110.133 108.800 0.056 0.000 2.750 280 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.228 280 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.228 280 G C -0.845 174.163 174.900 0.180 0.000 1.367 280 G CA -0.033 45.126 45.100 0.097 0.000 0.871 280 G HN 0.705 nan 8.290 nan 0.000 0.560 281 F N -2.019 117.937 119.950 0.010 0.000 2.675 281 F HA 0.821 5.348 4.527 -0.000 0.000 0.324 281 F C 1.227 177.033 175.800 0.011 0.000 1.106 281 F CA 0.241 58.247 58.000 0.010 0.000 0.970 281 F CB 0.954 39.964 39.000 0.017 0.000 1.385 281 F HN 2.387 nan 8.300 nan 0.000 0.489 282 G N 1.404 110.233 108.800 0.047 0.000 2.660 282 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.321 282 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.321 282 G C 0.449 175.274 174.900 -0.124 0.000 1.246 282 G CA 1.022 46.086 45.100 -0.060 0.000 1.000 282 G HN 0.822 nan 8.290 nan 0.000 0.550 283 D N 0.983 121.279 120.400 -0.173 0.000 2.120 283 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 283 D C 2.509 178.725 176.300 -0.140 0.000 0.972 283 D CA 1.447 55.374 54.000 -0.122 0.000 0.837 283 D CB -0.430 40.315 40.800 -0.092 0.000 0.989 283 D HN 0.718 nan 8.370 nan 0.000 0.469 284 R N 1.220 121.601 120.500 -0.200 0.000 2.276 284 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 284 R C 2.050 178.262 176.300 -0.146 0.000 1.161 284 R CA 1.209 57.206 56.100 -0.173 0.000 1.007 284 R CB -0.294 29.896 30.300 -0.184 0.000 0.867 284 R HN 0.100 nan 8.270 nan 0.000 0.472 285 R N 1.322 121.737 120.500 -0.142 0.000 2.062 285 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 285 R C 1.588 177.834 176.300 -0.090 0.000 1.125 285 R CA 1.373 57.413 56.100 -0.100 0.000 0.966 285 R CB -0.047 30.221 30.300 -0.054 0.000 0.861 285 R HN 0.251 nan 8.270 nan 0.000 0.433 286 K N 0.367 120.723 120.400 -0.074 0.000 2.032 286 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 286 K C 2.134 178.693 176.600 -0.067 0.000 1.048 286 K CA 1.734 57.985 56.287 -0.060 0.000 0.927 286 K CB -0.200 32.271 32.500 -0.047 0.000 0.712 286 K HN 0.240 nan 8.250 nan 0.000 0.441 287 A N 1.171 123.947 122.820 -0.074 0.000 1.877 287 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 287 A C 2.143 179.678 177.584 -0.082 0.000 1.186 287 A CA 1.585 53.580 52.037 -0.071 0.000 0.620 287 A CB -0.455 18.501 19.000 -0.072 0.000 0.822 287 A HN 0.191 nan 8.150 nan 0.000 0.443 288 M N -0.882 118.655 119.600 -0.105 0.000 2.175 288 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 288 M C 2.157 178.367 176.300 -0.150 0.000 1.063 288 M CA 1.086 56.307 55.300 -0.131 0.000 1.119 288 M CB -0.436 32.066 32.600 -0.164 0.000 1.377 288 M HN 0.398 nan 8.290 nan 0.000 0.415 289 L N 0.013 121.153 121.223 -0.138 0.000 2.042 289 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 289 L C 2.664 179.485 176.870 -0.082 0.000 1.076 289 L CA 1.341 56.108 54.840 -0.122 0.000 0.749 289 L CB -0.407 41.598 42.059 -0.090 0.000 0.893 289 L HN 0.311 nan 8.230 nan 0.000 0.432 290 Q N 0.018 119.778 119.800 -0.066 0.000 2.167 290 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 290 Q C 1.654 177.628 176.000 -0.043 0.000 0.970 290 Q CA 1.686 57.461 55.803 -0.046 0.000 0.855 290 Q CB -0.147 28.567 28.738 -0.040 0.000 0.911 290 Q HN 0.417 nan 8.270 nan 0.000 0.438 291 D N -0.255 120.111 120.400 -0.056 0.000 2.084 291 D HA -0.148 4.491 4.640 -0.000 0.000 0.194 291 D C 1.891 178.170 176.300 -0.035 0.000 0.990 291 D CA 1.461 55.434 54.000 -0.045 0.000 0.826 291 D CB -0.258 40.508 40.800 -0.056 0.000 0.971 291 D HN 0.357 nan 8.370 nan 0.000 0.453 292 I N 1.266 121.805 120.570 -0.053 0.000 2.208 292 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 292 I C 2.513 178.626 176.117 -0.006 0.000 1.097 292 I CA 1.068 62.352 61.300 -0.026 0.000 1.363 292 I CB -0.311 37.652 38.000 -0.062 0.000 1.051 292 I HN -0.079 nan 8.210 nan 0.000 0.413 293 A N 0.745 123.555 122.820 -0.017 0.000 1.859 293 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 293 A C 2.419 180.004 177.584 0.003 0.000 1.198 293 A CA 2.825 54.860 52.037 -0.004 0.000 0.629 293 A CB -1.336 17.657 19.000 -0.011 0.000 0.830 293 A HN 0.408 nan 8.150 nan 0.000 0.446 294 T N 0.353 114.904 114.554 -0.004 0.000 2.699 294 T HA -0.149 4.200 4.350 -0.000 0.000 0.268 294 T C 1.814 176.516 174.700 0.005 0.000 1.036 294 T CA 1.318 63.417 62.100 -0.001 0.000 1.147 294 T CB -0.399 68.464 68.868 -0.007 0.000 0.862 294 T HN 0.335 nan 8.240 nan 0.000 0.446 295 L N 1.306 122.533 121.223 0.006 0.000 2.079 295 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 295 L C 2.454 179.333 176.870 0.016 0.000 1.081 295 L CA 2.073 56.920 54.840 0.013 0.000 0.752 295 L CB -0.651 41.420 42.059 0.021 0.000 0.896 295 L HN 0.503 nan 8.230 nan 0.000 0.433 296 T N -4.901 109.665 114.554 0.021 0.000 3.054 296 T HA 0.246 4.596 4.350 -0.000 0.000 0.255 296 T C 1.123 175.841 174.700 0.030 0.000 1.035 296 T CA 0.361 62.476 62.100 0.026 0.000 0.941 296 T CB 0.460 69.351 68.868 0.037 0.000 1.026 296 T HN 0.452 nan 8.240 nan 0.000 0.533 297 G N 0.602 109.417 108.800 0.025 0.000 2.272 297 G HA2 0.088 4.048 3.960 -0.000 0.000 0.280 297 G HA3 0.088 4.048 3.960 -0.000 0.000 0.280 297 G C 0.280 175.202 174.900 0.038 0.000 1.067 297 G CA -0.192 44.925 45.100 0.027 0.000 0.902 297 G HN 1.046 nan 8.290 nan 0.000 0.500 298 G N -1.463 107.357 108.800 0.033 0.000 2.597 298 G HA2 0.837 4.797 3.960 -0.000 0.000 0.317 298 G HA3 0.837 4.797 3.960 -0.000 0.000 0.317 298 G C -0.387 174.524 174.900 0.018 0.000 1.230 298 G CA 0.107 45.228 45.100 0.035 0.000 0.996 298 G HN 0.669 nan 8.290 nan 0.000 0.490 299 T N 0.133 114.695 114.554 0.013 0.000 2.829 299 T HA 0.457 4.807 4.350 -0.000 0.000 0.280 299 T C 0.006 174.705 174.700 -0.001 0.000 0.999 299 T CA -0.356 61.746 62.100 0.003 0.000 0.983 299 T CB 1.785 70.654 68.868 0.001 0.000 0.968 299 T HN 0.368 nan 8.240 nan 0.000 0.446 300 V N 4.138 124.047 119.914 -0.007 0.000 2.508 300 V HA 0.258 4.378 4.120 -0.000 0.000 0.281 300 V C 0.345 176.433 176.094 -0.010 0.000 1.041 300 V CA -0.415 61.878 62.300 -0.012 0.000 1.016 300 V CB 0.170 31.982 31.823 -0.019 0.000 0.984 300 V HN 0.770 nan 8.190 nan 0.000 0.478 301 I N 5.300 125.864 120.570 -0.009 0.000 2.282 301 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 301 I C 0.289 176.402 176.117 -0.007 0.000 1.090 301 I CA 0.177 61.472 61.300 -0.007 0.000 1.231 301 I CB 0.638 38.634 38.000 -0.007 0.000 1.434 301 I HN 0.707 nan 8.210 nan 0.000 0.487 302 S N 2.932 118.627 115.700 -0.007 0.000 2.473 302 S HA 0.370 4.840 4.470 -0.000 0.000 0.307 302 S C 0.424 175.022 174.600 -0.004 0.000 1.094 302 S CA -0.917 57.279 58.200 -0.006 0.000 1.070 302 S CB 1.749 64.944 63.200 -0.009 0.000 1.019 302 S HN 0.605 nan 8.310 nan 0.000 0.480 303 E N 1.603 121.802 120.200 -0.002 0.000 2.478 303 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 303 E C 0.938 177.537 176.600 -0.001 0.000 1.046 303 E CA 0.653 57.053 56.400 -0.001 0.000 0.870 303 E CB -0.202 29.499 29.700 0.001 0.000 0.818 303 E HN 0.839 nan 8.360 nan 0.000 0.527 304 E N 1.043 121.242 120.200 -0.002 0.000 2.150 304 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 304 E C 1.576 178.174 176.600 -0.003 0.000 0.985 304 E CA 0.741 57.139 56.400 -0.002 0.000 0.814 304 E CB -0.113 29.585 29.700 -0.003 0.000 0.752 304 E HN 0.354 nan 8.360 nan 0.000 0.466 305 I N 0.509 121.076 120.570 -0.004 0.000 3.684 305 I HA 0.102 4.272 4.170 -0.000 0.000 0.304 305 I C 1.124 177.239 176.117 -0.004 0.000 1.278 305 I CA 0.270 61.567 61.300 -0.005 0.000 1.272 305 I CB -0.189 37.807 38.000 -0.006 0.000 1.029 305 I HN 0.222 nan 8.210 nan 0.000 0.458 306 G N 1.676 110.474 108.800 -0.003 0.000 2.160 306 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 306 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 306 G C 0.203 175.101 174.900 -0.003 0.000 1.008 306 G CA -0.093 45.005 45.100 -0.003 0.000 0.724 306 G HN 0.349 nan 8.290 nan 0.000 0.514 307 M N 0.219 119.817 119.600 -0.004 0.000 2.249 307 M HA 0.564 5.044 4.480 -0.000 0.000 0.351 307 M C 0.329 176.626 176.300 -0.004 0.000 1.180 307 M CA -0.065 55.232 55.300 -0.005 0.000 1.127 307 M CB 0.989 33.585 32.600 -0.006 0.000 1.546 307 M HN 0.250 nan 8.290 nan 0.000 0.461 308 E N 1.581 121.778 120.200 -0.005 0.000 2.221 308 E HA 0.339 4.688 4.350 -0.000 0.000 0.268 308 E C 0.190 176.786 176.600 -0.007 0.000 0.933 308 E CA -0.698 55.699 56.400 -0.005 0.000 0.809 308 E CB 2.081 31.779 29.700 -0.004 0.000 1.190 308 E HN 0.655 nan 8.360 nan 0.000 0.406 309 L N 1.264 122.484 121.223 -0.006 0.000 2.275 309 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 309 L C 1.581 178.443 176.870 -0.012 0.000 1.119 309 L CA 1.142 55.977 54.840 -0.009 0.000 0.790 309 L CB -0.146 41.910 42.059 -0.004 0.000 0.919 309 L HN 0.596 nan 8.230 nan 0.000 0.443 310 E N 0.223 120.417 120.200 -0.010 0.000 2.072 310 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 310 E C 1.063 177.653 176.600 -0.016 0.000 0.985 310 E CA 0.922 57.315 56.400 -0.012 0.000 0.801 310 E CB 0.054 29.749 29.700 -0.008 0.000 0.750 310 E HN 0.214 nan 8.360 nan 0.000 0.452 311 K N 0.606 120.997 120.400 -0.014 0.000 3.226 311 K HA 0.359 4.678 4.320 -0.000 0.000 0.268 311 K C -0.804 175.784 176.600 -0.020 0.000 1.217 311 K CA -0.176 56.102 56.287 -0.016 0.000 1.242 311 K CB 0.540 33.033 32.500 -0.012 0.000 1.389 311 K HN -0.014 nan 8.250 nan 0.000 0.406 312 A N 1.164 123.968 122.820 -0.026 0.000 2.335 312 A HA 0.369 4.689 4.320 -0.000 0.000 0.304 312 A C 0.180 177.734 177.584 -0.051 0.000 1.118 312 A CA -0.674 51.343 52.037 -0.034 0.000 0.757 312 A CB 0.802 19.783 19.000 -0.031 0.000 1.188 312 A HN 0.284 nan 8.150 nan 0.000 0.460 313 T N -0.071 114.449 114.554 -0.057 0.000 2.893 313 T HA 0.532 4.882 4.350 -0.000 0.000 0.279 313 T C 1.242 175.868 174.700 -0.123 0.000 0.991 313 T CA -0.601 61.452 62.100 -0.079 0.000 0.950 313 T CB 0.237 69.070 68.868 -0.059 0.000 1.223 313 T HN 0.327 nan 8.240 nan 0.000 0.585 314 L N -0.114 121.006 121.223 -0.172 0.000 2.131 314 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 314 L C 3.004 179.785 176.870 -0.147 0.000 1.092 314 L CA 1.618 56.282 54.840 -0.293 0.000 0.759 314 L CB -0.674 41.181 42.059 -0.341 0.000 0.903 314 L HN 0.860 nan 8.230 nan 0.000 0.435 315 E N 0.370 120.531 120.200 -0.065 0.000 2.130 315 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 315 E C 1.523 178.124 176.600 0.003 0.000 0.998 315 E CA 1.555 57.950 56.400 -0.008 0.000 0.806 315 E CB 0.112 29.807 29.700 -0.008 0.000 0.738 315 E HN 0.441 nan 8.360 nan 0.000 0.459 316 D N -0.298 120.090 120.400 -0.020 0.000 2.312 316 D HA -0.069 4.571 4.640 -0.000 0.000 0.211 316 D C -0.091 176.217 176.300 0.014 0.000 0.964 316 D CA 0.406 54.402 54.000 -0.007 0.000 0.877 316 D CB 0.120 40.907 40.800 -0.020 0.000 0.924 316 D HN 0.123 nan 8.370 nan 0.000 0.515 317 L N 0.836 122.072 121.223 0.021 0.000 2.305 317 L HA 0.338 4.678 4.340 -0.000 0.000 0.281 317 L C 1.265 178.238 176.870 0.172 0.000 1.085 317 L CA -0.354 54.538 54.840 0.086 0.000 0.813 317 L CB 1.143 43.236 42.059 0.057 0.000 1.157 317 L HN -0.186 nan 8.230 nan 0.000 0.436 318 G N 2.118 111.002 108.800 0.141 0.000 2.599 318 G HA2 0.463 4.423 3.960 -0.000 0.000 0.264 318 G HA3 0.463 4.423 3.960 -0.000 0.000 0.264 318 G C -0.805 174.177 174.900 0.137 0.000 1.200 318 G CA -0.209 44.961 45.100 0.116 0.000 0.896 318 G HN 0.570 nan 8.290 nan 0.000 0.536 319 Q N -1.476 118.353 119.800 0.050 0.000 2.416 319 Q HA 0.629 4.969 4.340 -0.000 0.000 0.281 319 Q C -1.057 174.915 176.000 -0.047 0.000 1.067 319 Q CA -0.782 54.992 55.803 -0.048 0.000 0.809 319 Q CB 2.368 31.015 28.738 -0.153 0.000 1.418 319 Q HN 0.969 nan 8.270 nan 0.000 0.411 320 A N 1.529 124.304 122.820 -0.075 0.000 2.606 320 A HA 0.401 4.721 4.320 -0.000 0.000 0.293 320 A C -0.654 176.891 177.584 -0.065 0.000 1.082 320 A CA -0.616 51.392 52.037 -0.049 0.000 0.685 320 A CB 1.519 20.508 19.000 -0.018 0.000 1.284 320 A HN 0.784 nan 8.150 nan 0.000 0.408 321 K N -0.391 119.980 120.400 -0.048 0.000 2.217 321 K HA 0.044 4.364 4.320 -0.000 0.000 0.202 321 K C 0.463 177.039 176.600 -0.040 0.000 1.051 321 K CA 1.059 57.317 56.287 -0.048 0.000 0.952 321 K CB 0.163 32.642 32.500 -0.035 0.000 0.736 321 K HN 0.519 nan 8.250 nan 0.000 0.453 322 R N 0.019 120.500 120.500 -0.031 0.000 2.579 322 R HA 0.154 4.494 4.340 -0.000 0.000 0.260 322 R C -1.815 174.473 176.300 -0.019 0.000 1.103 322 R CA -0.449 55.636 56.100 -0.024 0.000 0.942 322 R CB 1.968 32.258 30.300 -0.018 0.000 1.251 322 R HN -0.036 nan 8.270 nan 0.000 0.450 323 V N 0.525 120.428 119.914 -0.019 0.000 2.823 323 V HA 0.875 4.995 4.120 -0.000 0.000 0.312 323 V C -1.270 174.811 176.094 -0.023 0.000 1.072 323 V CA -0.621 61.665 62.300 -0.022 0.000 0.937 323 V CB 2.268 34.080 31.823 -0.019 0.000 1.013 323 V HN 0.407 nan 8.190 nan 0.000 0.430 324 V N 5.876 125.768 119.914 -0.037 0.000 2.525 324 V HA 0.574 4.694 4.120 -0.000 0.000 0.299 324 V C -0.258 175.810 176.094 -0.044 0.000 1.034 324 V CA -0.371 61.914 62.300 -0.024 0.000 0.863 324 V CB 1.523 33.335 31.823 -0.018 0.000 0.999 324 V HN 0.949 nan 8.190 nan 0.000 0.423 325 I N 1.383 121.953 120.570 -0.000 0.000 2.530 325 I HA 0.696 4.866 4.170 -0.000 0.000 0.297 325 I C -0.534 175.629 176.117 0.076 0.000 1.011 325 I CA -0.572 60.729 61.300 0.001 0.000 1.107 325 I CB 2.093 40.108 38.000 0.024 0.000 1.285 325 I HN 0.394 nan 8.210 nan 0.000 0.436 326 N N 3.362 122.036 118.700 -0.044 0.000 2.604 326 N HA 0.293 5.033 4.740 -0.000 0.000 0.297 326 N C 0.785 176.020 175.510 -0.458 0.000 1.266 326 N CA -0.665 52.331 53.050 -0.089 0.000 0.961 326 N CB 1.628 40.036 38.487 -0.133 0.000 1.166 326 N HN 0.619 nan 8.380 nan 0.000 0.601 327 K N -0.122 120.008 120.400 -0.451 0.000 2.103 327 K HA -0.166 4.153 4.320 -0.000 0.000 0.207 327 K C -0.572 175.731 176.600 -0.495 0.000 1.048 327 K CA 1.904 57.783 56.287 -0.680 0.000 0.930 327 K CB 0.001 32.365 32.500 -0.226 0.000 0.716 327 K HN 0.610 nan 8.250 nan 0.000 0.444 328 D N -1.384 118.840 120.400 -0.294 0.000 2.785 328 D HA 0.122 4.762 4.640 -0.000 0.000 0.324 328 D C -0.726 175.477 176.300 -0.162 0.000 1.523 328 D CA -0.410 53.472 54.000 -0.197 0.000 0.789 328 D CB 0.920 41.646 40.800 -0.123 0.000 1.171 328 D HN -0.184 nan 8.370 nan 0.000 0.447 329 T N -0.460 113.974 114.554 -0.199 0.000 2.956 329 T HA 0.597 4.947 4.350 -0.000 0.000 0.312 329 T C -1.370 173.158 174.700 -0.287 0.000 1.151 329 T CA -0.347 61.626 62.100 -0.212 0.000 1.024 329 T CB 1.998 70.767 68.868 -0.164 0.000 1.140 329 T HN -0.082 nan 8.240 nan 0.000 0.473 330 T N 2.213 116.477 114.554 -0.484 0.000 2.841 330 T HA 0.639 4.989 4.350 -0.000 0.000 0.285 330 T C -0.627 173.747 174.700 -0.544 0.000 0.991 330 T CA -0.583 61.163 62.100 -0.590 0.000 0.966 330 T CB 1.477 69.744 68.868 -1.003 0.000 0.962 330 T HN 0.656 nan 8.240 nan 0.000 0.438 331 T N 3.125 117.510 114.554 -0.281 0.000 2.840 331 T HA 0.672 5.021 4.350 -0.000 0.000 0.287 331 T C -0.657 173.992 174.700 -0.086 0.000 0.991 331 T CA -0.688 61.313 62.100 -0.165 0.000 0.964 331 T CB 0.168 68.973 68.868 -0.105 0.000 0.954 331 T HN 0.473 nan 8.240 nan 0.000 0.438 332 I N 5.649 126.200 120.570 -0.032 0.000 2.321 332 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 332 I C -0.394 175.728 176.117 0.008 0.000 0.998 332 I CA -0.813 60.493 61.300 0.010 0.000 1.227 332 I CB 1.212 39.252 38.000 0.066 0.000 1.368 332 I HN 0.603 nan 8.210 nan 0.000 0.466 333 I N 5.998 126.566 120.570 -0.002 0.000 2.389 333 I HA 0.304 4.474 4.170 -0.000 0.000 0.288 333 I C -0.616 175.497 176.117 -0.007 0.000 0.999 333 I CA -0.469 60.828 61.300 -0.005 0.000 1.129 333 I CB 1.309 39.303 38.000 -0.010 0.000 1.288 333 I HN 0.511 nan 8.210 nan 0.000 0.444 334 D N 4.945 125.343 120.400 -0.004 0.000 3.515 334 D HA -0.110 4.530 4.640 -0.000 0.000 0.247 334 D C 0.062 176.357 176.300 -0.010 0.000 1.084 334 D CA 0.826 54.822 54.000 -0.008 0.000 1.030 334 D CB -0.210 40.582 40.800 -0.013 0.000 0.946 334 D HN 0.837 nan 8.370 nan 0.000 0.420 335 G N 0.748 109.547 108.800 -0.002 0.000 2.353 335 G HA2 0.412 4.372 3.960 -0.000 0.000 0.284 335 G HA3 0.412 4.372 3.960 -0.000 0.000 0.284 335 G C 1.496 176.394 174.900 -0.004 0.000 1.172 335 G CA -0.366 44.734 45.100 0.001 0.000 0.854 335 G HN 0.290 nan 8.290 nan 0.000 0.485 336 V N 3.149 123.058 119.914 -0.008 0.000 2.568 336 V HA -0.100 4.020 4.120 -0.000 0.000 0.253 336 V C 2.332 178.427 176.094 0.002 0.000 1.072 336 V CA 1.252 63.548 62.300 -0.007 0.000 1.084 336 V CB -1.424 30.392 31.823 -0.011 0.000 0.676 336 V HN 0.850 nan 8.190 nan 0.000 0.469 337 G N 0.675 109.480 108.800 0.007 0.000 2.341 337 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.231 337 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.231 337 G C -0.061 174.842 174.900 0.005 0.000 1.206 337 G CA -0.108 44.997 45.100 0.008 0.000 0.865 337 G HN 0.557 nan 8.290 nan 0.000 0.515 338 E N 1.175 121.377 120.200 0.005 0.000 2.343 338 E HA 0.057 4.407 4.350 -0.000 0.000 0.269 338 E C 1.029 177.630 176.600 0.002 0.000 1.047 338 E CA -0.472 55.929 56.400 0.003 0.000 0.874 338 E CB 1.126 30.828 29.700 0.004 0.000 1.033 338 E HN 0.614 nan 8.360 nan 0.000 0.409 339 E N 1.760 121.961 120.200 0.001 0.000 2.097 339 E HA -0.273 4.076 4.350 -0.000 0.000 0.196 339 E C 1.858 178.457 176.600 -0.001 0.000 1.000 339 E CA 1.389 57.789 56.400 -0.000 0.000 0.804 339 E CB -0.163 29.537 29.700 -0.001 0.000 0.740 339 E HN 0.600 nan 8.360 nan 0.000 0.454 340 A N 1.824 124.644 122.820 -0.000 0.000 1.877 340 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 340 A C 2.497 180.080 177.584 -0.002 0.000 1.186 340 A CA 2.116 54.152 52.037 -0.001 0.000 0.620 340 A CB -0.693 18.307 19.000 -0.001 0.000 0.822 340 A HN 0.294 nan 8.150 nan 0.000 0.443 341 A N -0.333 122.487 122.820 -0.001 0.000 1.902 341 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 341 A C 2.138 179.720 177.584 -0.003 0.000 1.181 341 A CA 1.642 53.679 52.037 -0.001 0.000 0.623 341 A CB -0.608 18.393 19.000 0.000 0.000 0.818 341 A HN 0.494 nan 8.150 nan 0.000 0.443 342 I N -1.018 119.551 120.570 -0.002 0.000 2.252 342 I HA -0.232 3.937 4.170 -0.000 0.000 0.245 342 I C 2.735 178.850 176.117 -0.004 0.000 1.102 342 I CA 1.165 62.464 61.300 -0.003 0.000 1.385 342 I CB -0.200 37.799 38.000 -0.001 0.000 1.064 342 I HN 0.241 nan 8.210 nan 0.000 0.414 343 Q N 0.650 120.447 119.800 -0.004 0.000 2.084 343 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 343 Q C 2.281 178.278 176.000 -0.006 0.000 0.978 343 Q CA 1.826 57.627 55.803 -0.005 0.000 0.844 343 Q CB -0.935 27.801 28.738 -0.004 0.000 0.898 343 Q HN 0.562 nan 8.270 nan 0.000 0.426 344 G N 0.048 108.845 108.800 -0.006 0.000 2.418 344 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 344 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 344 G C 1.639 176.533 174.900 -0.009 0.000 1.158 344 G CA 0.954 46.050 45.100 -0.007 0.000 0.771 344 G HN 0.330 nan 8.290 nan 0.000 0.545 345 R N -0.157 120.338 120.500 -0.010 0.000 2.096 345 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 345 R C 2.544 178.836 176.300 -0.014 0.000 1.127 345 R CA 1.234 57.326 56.100 -0.013 0.000 0.968 345 R CB -0.498 29.794 30.300 -0.014 0.000 0.861 345 R HN 0.229 nan 8.270 nan 0.000 0.440 346 V N 0.519 120.426 119.914 -0.012 0.000 2.270 346 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 346 V C 2.326 178.412 176.094 -0.013 0.000 1.043 346 V CA 1.882 64.174 62.300 -0.013 0.000 1.014 346 V CB -0.774 31.043 31.823 -0.010 0.000 0.645 346 V HN 0.556 nan 8.190 nan 0.000 0.447 347 A N -1.186 121.628 122.820 -0.011 0.000 1.940 347 A HA -0.329 3.991 4.320 -0.000 0.000 0.219 347 A C 2.194 179.771 177.584 -0.012 0.000 1.176 347 A CA 2.216 54.247 52.037 -0.010 0.000 0.631 347 A CB -0.554 18.441 19.000 -0.008 0.000 0.814 347 A HN 0.617 nan 8.150 nan 0.000 0.446 348 Q N -0.673 119.119 119.800 -0.013 0.000 2.030 348 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 348 Q C 2.081 178.070 176.000 -0.018 0.000 0.986 348 Q CA 1.832 57.626 55.803 -0.015 0.000 0.843 348 Q CB -0.253 28.475 28.738 -0.016 0.000 0.904 348 Q HN 0.776 nan 8.270 nan 0.000 0.420 349 I N -0.275 120.283 120.570 -0.020 0.000 2.252 349 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 349 I C 2.421 178.524 176.117 -0.023 0.000 1.102 349 I CA 0.881 62.166 61.300 -0.025 0.000 1.385 349 I CB -0.236 37.746 38.000 -0.029 0.000 1.064 349 I HN 0.115 nan 8.210 nan 0.000 0.414 350 R N 0.379 120.867 120.500 -0.020 0.000 2.249 350 R HA -0.167 4.173 4.340 -0.000 0.000 0.230 350 R C 2.254 178.545 176.300 -0.016 0.000 1.121 350 R CA 1.078 57.167 56.100 -0.017 0.000 0.997 350 R CB 0.033 30.325 30.300 -0.014 0.000 0.867 350 R HN 0.436 nan 8.270 nan 0.000 0.465 351 Q N -0.454 119.337 119.800 -0.015 0.000 2.204 351 Q HA -0.084 4.255 4.340 -0.000 0.000 0.198 351 Q C 1.883 177.875 176.000 -0.014 0.000 0.946 351 Q CA 0.834 56.629 55.803 -0.013 0.000 0.859 351 Q CB 0.365 29.096 28.738 -0.012 0.000 0.946 351 Q HN 0.542 nan 8.270 nan 0.000 0.474 352 Q N 0.333 120.123 119.800 -0.018 0.000 2.170 352 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 352 Q C 2.064 178.053 176.000 -0.020 0.000 0.976 352 Q CA 0.889 56.680 55.803 -0.019 0.000 0.858 352 Q CB -0.241 28.483 28.738 -0.024 0.000 0.907 352 Q HN 0.381 nan 8.270 nan 0.000 0.433 353 I N 1.430 121.987 120.570 -0.022 0.000 2.335 353 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 353 I C 1.997 178.105 176.117 -0.015 0.000 1.129 353 I CA 0.963 62.250 61.300 -0.021 0.000 1.402 353 I CB -0.211 37.776 38.000 -0.023 0.000 1.069 353 I HN 0.120 nan 8.210 nan 0.000 0.424 354 E N 0.966 121.158 120.200 -0.012 0.000 2.204 354 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 354 E C 1.461 178.057 176.600 -0.007 0.000 0.989 354 E CA 1.118 57.513 56.400 -0.009 0.000 0.824 354 E CB -0.135 29.561 29.700 -0.008 0.000 0.756 354 E HN 0.640 nan 8.360 nan 0.000 0.477 355 E N -0.265 119.930 120.200 -0.007 0.000 2.562 355 E HA 0.321 4.671 4.350 -0.000 0.000 0.214 355 E C 0.090 176.688 176.600 -0.003 0.000 0.979 355 E CA 0.054 56.451 56.400 -0.005 0.000 1.002 355 E CB 0.812 30.509 29.700 -0.005 0.000 1.048 355 E HN 0.038 nan 8.360 nan 0.000 0.488 356 A N 1.686 124.504 122.820 -0.005 0.000 2.566 356 A HA 0.092 4.411 4.320 -0.000 0.000 0.245 356 A C 1.117 178.704 177.584 0.006 0.000 1.056 356 A CA 0.485 52.522 52.037 -0.000 0.000 0.757 356 A CB -0.136 18.860 19.000 -0.007 0.000 0.979 356 A HN 0.254 nan 8.150 nan 0.000 0.508 357 T N -0.506 114.056 114.554 0.013 0.000 3.134 357 T HA 0.413 4.763 4.350 -0.000 0.000 0.260 357 T C 0.351 175.066 174.700 0.023 0.000 1.027 357 T CA 0.342 62.450 62.100 0.015 0.000 0.913 357 T CB -0.362 68.513 68.868 0.012 0.000 1.046 357 T HN 1.090 nan 8.240 nan 0.000 0.553 358 S N -0.331 115.389 115.700 0.033 0.000 2.540 358 S HA 0.342 4.812 4.470 -0.000 0.000 0.275 358 S C 0.099 174.734 174.600 0.058 0.000 1.123 358 S CA -0.606 57.626 58.200 0.053 0.000 0.907 358 S CB 1.755 65.001 63.200 0.077 0.000 1.081 358 S HN 0.000 nan 8.310 nan 0.000 0.476 359 D N 1.912 122.350 120.400 0.064 0.000 2.126 359 D HA -0.174 4.466 4.640 -0.000 0.000 0.190 359 D C 1.365 177.709 176.300 0.074 0.000 1.001 359 D CA 2.066 56.102 54.000 0.060 0.000 0.841 359 D CB -0.330 40.512 40.800 0.069 0.000 0.949 359 D HN 0.763 nan 8.370 nan 0.000 0.446 360 Y N 2.083 122.382 120.300 -0.001 0.000 2.128 360 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 360 Y C 1.990 177.884 175.900 -0.009 0.000 1.154 360 Y CA 1.894 59.993 58.100 -0.001 0.000 1.149 360 Y CB -0.176 38.286 38.460 0.003 0.000 0.976 360 Y HN -0.070 nan 8.280 nan 0.000 0.505 361 D N -0.221 120.208 120.400 0.047 0.000 2.123 361 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 361 D C 2.268 178.504 176.300 -0.107 0.000 0.992 361 D CA 1.354 55.329 54.000 -0.042 0.000 0.833 361 D CB -0.339 40.477 40.800 0.026 0.000 0.954 361 D HN 0.389 nan 8.370 nan 0.000 0.455 362 R N 0.769 121.230 120.500 -0.066 0.000 2.082 362 R HA -0.145 4.194 4.340 -0.000 0.000 0.234 362 R C 2.310 178.550 176.300 -0.099 0.000 1.136 362 R CA 1.468 57.530 56.100 -0.063 0.000 0.935 362 R CB -0.020 30.262 30.300 -0.031 0.000 0.842 362 R HN 0.292 nan 8.270 nan 0.000 0.430 363 E N 0.314 120.437 120.200 -0.127 0.000 2.085 363 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 363 E C 1.937 178.426 176.600 -0.186 0.000 0.994 363 E CA 0.912 57.228 56.400 -0.141 0.000 0.801 363 E CB -0.117 29.502 29.700 -0.135 0.000 0.743 363 E HN 0.111 nan 8.360 nan 0.000 0.453 364 K N 0.927 121.148 120.400 -0.299 0.000 2.147 364 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 364 K C 2.231 178.732 176.600 -0.164 0.000 1.049 364 K CA 0.761 56.877 56.287 -0.286 0.000 0.936 364 K CB -0.402 31.843 32.500 -0.425 0.000 0.722 364 K HN 0.184 nan 8.250 nan 0.000 0.446 365 L N 0.166 121.309 121.223 -0.134 0.000 2.068 365 L HA -0.116 4.224 4.340 -0.000 0.000 0.204 365 L C 2.464 179.292 176.870 -0.070 0.000 1.076 365 L CA 0.987 55.774 54.840 -0.088 0.000 0.753 365 L CB -0.399 41.617 42.059 -0.070 0.000 0.910 365 L HN 0.134 nan 8.230 nan 0.000 0.439 366 Q N 0.052 119.811 119.800 -0.068 0.000 2.197 366 Q HA -0.272 4.068 4.340 -0.000 0.000 0.207 366 Q C 2.098 178.070 176.000 -0.046 0.000 0.984 366 Q CA 1.803 57.576 55.803 -0.050 0.000 0.869 366 Q CB -0.048 28.662 28.738 -0.046 0.000 0.906 366 Q HN 0.489 nan 8.270 nan 0.000 0.426 367 E N -0.313 119.851 120.200 -0.059 0.000 2.106 367 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 367 E C 2.007 178.585 176.600 -0.037 0.000 0.984 367 E CA 0.550 56.922 56.400 -0.046 0.000 0.806 367 E CB 0.112 29.777 29.700 -0.057 0.000 0.750 367 E HN 0.242 nan 8.360 nan 0.000 0.458 368 R N 0.401 120.872 120.500 -0.048 0.000 2.073 368 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 368 R C 2.670 178.953 176.300 -0.028 0.000 1.120 368 R CA 1.456 57.531 56.100 -0.041 0.000 0.967 368 R CB -0.485 29.783 30.300 -0.054 0.000 0.862 368 R HN 0.192 nan 8.270 nan 0.000 0.436 369 V N -1.218 118.678 119.914 -0.029 0.000 2.343 369 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 369 V C 2.401 178.487 176.094 -0.014 0.000 1.051 369 V CA 1.738 64.025 62.300 -0.021 0.000 1.036 369 V CB -1.175 30.635 31.823 -0.022 0.000 0.654 369 V HN 0.229 nan 8.190 nan 0.000 0.451 370 A N 0.648 123.459 122.820 -0.015 0.000 1.917 370 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 370 A C 2.345 179.928 177.584 -0.001 0.000 1.182 370 A CA 2.603 54.635 52.037 -0.009 0.000 0.633 370 A CB -0.629 18.364 19.000 -0.010 0.000 0.819 370 A HN 0.650 nan 8.150 nan 0.000 0.448 371 K N -1.310 119.091 120.400 0.002 0.000 1.991 371 K HA -0.020 4.299 4.320 -0.000 0.000 0.207 371 K C 1.949 178.558 176.600 0.015 0.000 1.045 371 K CA 1.181 57.477 56.287 0.016 0.000 0.937 371 K CB -0.350 32.166 32.500 0.027 0.000 0.720 371 K HN 0.307 nan 8.250 nan 0.000 0.438 372 L N 0.913 122.139 121.223 0.006 0.000 2.017 372 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 372 L C 2.006 178.878 176.870 0.003 0.000 1.073 372 L CA 1.883 56.725 54.840 0.004 0.000 0.745 372 L CB -0.828 41.228 42.059 -0.005 0.000 0.894 372 L HN 0.171 nan 8.230 nan 0.000 0.432 373 A N -1.619 121.200 122.820 -0.001 0.000 2.238 373 A HA 0.240 4.560 4.320 -0.000 0.000 0.208 373 A C 2.125 179.709 177.584 0.000 0.000 1.177 373 A CA 0.739 52.775 52.037 -0.002 0.000 0.804 373 A CB -0.860 18.137 19.000 -0.005 0.000 0.823 373 A HN 0.464 nan 8.150 nan 0.000 0.482 374 G N -0.667 108.134 108.800 0.002 0.000 2.494 374 G HA2 0.375 4.335 3.960 -0.000 0.000 0.216 374 G HA3 0.375 4.335 3.960 -0.000 0.000 0.216 374 G C 1.127 176.030 174.900 0.004 0.000 1.140 374 G CA 0.632 45.734 45.100 0.003 0.000 0.801 374 G HN 1.466 nan 8.290 nan 0.000 0.536 375 G N -1.186 107.618 108.800 0.007 0.000 2.633 375 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.263 375 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.263 375 G C -0.495 174.409 174.900 0.006 0.000 1.310 375 G CA -0.022 45.082 45.100 0.007 0.000 0.914 375 G HN 1.045 nan 8.290 nan 0.000 0.569 376 V N 0.150 120.067 119.914 0.004 0.000 2.686 376 V HA 0.713 4.833 4.120 -0.000 0.000 0.306 376 V C 0.672 176.767 176.094 0.002 0.000 1.065 376 V CA -0.129 62.172 62.300 0.003 0.000 0.894 376 V CB 1.441 33.265 31.823 0.001 0.000 1.004 376 V HN 2.032 nan 8.190 nan 0.000 0.424 377 A N 4.301 127.122 122.820 0.002 0.000 2.362 377 A HA 0.694 5.013 4.320 -0.000 0.000 0.276 377 A C -0.393 177.193 177.584 0.003 0.000 1.153 377 A CA -0.269 51.770 52.037 0.003 0.000 0.813 377 A CB 0.623 19.625 19.000 0.004 0.000 1.081 377 A HN 0.765 nan 8.150 nan 0.000 0.507 378 V N 5.289 125.204 119.914 0.002 0.000 2.313 378 V HA 0.214 4.333 4.120 -0.000 0.000 0.278 378 V C 0.002 176.096 176.094 0.001 0.000 1.017 378 V CA -0.158 62.143 62.300 0.001 0.000 0.823 378 V CB 0.873 32.696 31.823 -0.001 0.000 1.010 378 V HN 0.733 nan 8.190 nan 0.000 0.443 379 I N 6.511 127.083 120.570 0.003 0.000 2.363 379 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 379 I C 0.386 176.503 176.117 -0.000 0.000 1.075 379 I CA -0.198 61.103 61.300 0.002 0.000 1.333 379 I CB 0.399 38.401 38.000 0.004 0.000 1.415 379 I HN 0.500 nan 8.210 nan 0.000 0.502 380 K N 6.840 127.239 120.400 -0.002 0.000 2.263 380 K HA 0.446 4.766 4.320 -0.000 0.000 0.272 380 K C -0.712 175.886 176.600 -0.003 0.000 1.033 380 K CA -0.686 55.599 56.287 -0.003 0.000 0.884 380 K CB 1.984 34.482 32.500 -0.003 0.000 1.107 380 K HN 0.263 nan 8.250 nan 0.000 0.460 381 V N 2.477 122.388 119.914 -0.005 0.000 2.432 381 V HA 0.277 4.397 4.120 -0.000 0.000 0.271 381 V C 0.821 176.912 176.094 -0.005 0.000 1.046 381 V CA -0.517 61.780 62.300 -0.005 0.000 0.945 381 V CB 1.075 32.893 31.823 -0.008 0.000 0.992 381 V HN 0.898 nan 8.190 nan 0.000 0.471 382 G N 3.069 111.867 108.800 -0.005 0.000 2.410 382 G HA2 0.817 4.777 3.960 -0.000 0.000 0.330 382 G HA3 0.817 4.777 3.960 -0.000 0.000 0.330 382 G C -0.434 174.464 174.900 -0.005 0.000 1.142 382 G CA 0.155 45.253 45.100 -0.004 0.000 0.902 382 G HN 1.131 nan 8.290 nan 0.000 0.491 383 A N -0.163 122.654 122.820 -0.004 0.000 2.534 383 A HA 0.837 5.157 4.320 -0.000 0.000 0.300 383 A C 0.908 178.490 177.584 -0.004 0.000 1.223 383 A CA 0.417 52.452 52.037 -0.004 0.000 0.666 383 A CB 0.469 19.466 19.000 -0.005 0.000 1.316 383 A HN 1.684 nan 8.150 nan 0.000 0.468 384 A N -0.952 121.866 122.820 -0.003 0.000 1.943 384 A HA 0.457 4.777 4.320 -0.000 0.000 0.213 384 A C 1.132 178.714 177.584 -0.003 0.000 1.181 384 A CA 2.108 54.143 52.037 -0.003 0.000 0.653 384 A CB -0.520 18.478 19.000 -0.003 0.000 0.833 384 A HN 1.704 nan 8.150 nan 0.000 0.451 385 T N -3.963 110.590 114.554 -0.003 0.000 2.916 385 T HA 0.475 4.825 4.350 -0.000 0.000 0.292 385 T C 0.499 175.197 174.700 -0.002 0.000 1.064 385 T CA 0.023 62.121 62.100 -0.002 0.000 1.011 385 T CB 1.942 70.809 68.868 -0.002 0.000 1.152 385 T HN 0.236 nan 8.240 nan 0.000 0.510 386 E N 0.104 120.303 120.200 -0.002 0.000 2.070 386 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 386 E C 1.945 178.543 176.600 -0.002 0.000 1.004 386 E CA 1.889 58.288 56.400 -0.002 0.000 0.805 386 E CB -0.364 29.336 29.700 -0.000 0.000 0.744 386 E HN 0.548 nan 8.360 nan 0.000 0.451 387 V N 0.826 120.739 119.914 -0.002 0.000 2.287 387 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 387 V C 2.159 178.251 176.094 -0.004 0.000 1.053 387 V CA 2.379 64.678 62.300 -0.002 0.000 1.027 387 V CB -0.764 31.058 31.823 -0.001 0.000 0.646 387 V HN 0.266 nan 8.190 nan 0.000 0.447 388 E N -0.531 119.667 120.200 -0.004 0.000 2.106 388 E HA -0.173 4.176 4.350 -0.000 0.000 0.192 388 E C 2.204 178.800 176.600 -0.007 0.000 0.984 388 E CA 1.207 57.604 56.400 -0.006 0.000 0.806 388 E CB -0.232 29.465 29.700 -0.005 0.000 0.750 388 E HN 0.445 nan 8.360 nan 0.000 0.458 389 M N 1.070 120.667 119.600 -0.006 0.000 2.065 389 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 389 M C 1.778 178.073 176.300 -0.008 0.000 1.069 389 M CA 1.637 56.933 55.300 -0.007 0.000 1.110 389 M CB -0.189 32.408 32.600 -0.005 0.000 1.328 389 M HN -0.104 nan 8.290 nan 0.000 0.405 390 K N 0.331 120.726 120.400 -0.007 0.000 2.147 390 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 390 K C 1.841 178.434 176.600 -0.012 0.000 1.049 390 K CA 1.425 57.706 56.287 -0.009 0.000 0.936 390 K CB -0.301 32.196 32.500 -0.006 0.000 0.722 390 K HN 0.566 nan 8.250 nan 0.000 0.446 391 E N 0.410 120.603 120.200 -0.011 0.000 2.072 391 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 391 E C 2.032 178.622 176.600 -0.017 0.000 0.982 391 E CA 0.880 57.271 56.400 -0.014 0.000 0.803 391 E CB 0.062 29.755 29.700 -0.011 0.000 0.755 391 E HN 0.156 nan 8.360 nan 0.000 0.453 392 K N 1.334 121.725 120.400 -0.015 0.000 2.097 392 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 392 K C 2.130 178.718 176.600 -0.019 0.000 1.049 392 K CA 1.156 57.433 56.287 -0.015 0.000 0.933 392 K CB 0.070 32.563 32.500 -0.012 0.000 0.717 392 K HN -0.112 nan 8.250 nan 0.000 0.442 393 K N 0.084 120.472 120.400 -0.019 0.000 2.032 393 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 393 K C 1.943 178.522 176.600 -0.035 0.000 1.048 393 K CA 1.437 57.711 56.287 -0.022 0.000 0.927 393 K CB -0.171 32.318 32.500 -0.018 0.000 0.712 393 K HN 0.202 nan 8.250 nan 0.000 0.441 394 A N 1.237 124.036 122.820 -0.036 0.000 1.933 394 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 394 A C 2.113 179.661 177.584 -0.059 0.000 1.175 394 A CA 1.285 53.291 52.037 -0.050 0.000 0.628 394 A CB -0.429 18.547 19.000 -0.040 0.000 0.814 394 A HN 0.307 nan 8.150 nan 0.000 0.444 395 R N -0.757 119.717 120.500 -0.042 0.000 2.073 395 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 395 R C 2.072 178.346 176.300 -0.043 0.000 1.134 395 R CA 1.542 57.619 56.100 -0.039 0.000 0.952 395 R CB -0.485 29.799 30.300 -0.026 0.000 0.850 395 R HN 0.385 nan 8.270 nan 0.000 0.433 396 V N 0.987 120.879 119.914 -0.037 0.000 2.343 396 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 396 V C 1.949 178.013 176.094 -0.050 0.000 1.051 396 V CA 1.808 64.090 62.300 -0.030 0.000 1.036 396 V CB -0.391 31.421 31.823 -0.019 0.000 0.654 396 V HN 0.358 nan 8.190 nan 0.000 0.451 397 E N -0.154 119.996 120.200 -0.083 0.000 2.058 397 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 397 E C 1.985 178.411 176.600 -0.289 0.000 0.997 397 E CA 1.606 57.907 56.400 -0.165 0.000 0.801 397 E CB -0.141 29.452 29.700 -0.179 0.000 0.746 397 E HN 0.609 nan 8.360 nan 0.000 0.450 398 D N 0.198 120.475 120.400 -0.205 0.000 2.078 398 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 398 D C 1.907 178.162 176.300 -0.074 0.000 0.990 398 D CA 1.469 55.367 54.000 -0.170 0.000 0.827 398 D CB -0.532 40.211 40.800 -0.096 0.000 0.975 398 D HN 0.187 nan 8.370 nan 0.000 0.451 399 A N 0.741 123.537 122.820 -0.041 0.000 1.948 399 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 399 A C 2.187 179.787 177.584 0.027 0.000 1.177 399 A CA 1.391 53.425 52.037 -0.005 0.000 0.636 399 A CB -0.809 18.187 19.000 -0.007 0.000 0.815 399 A HN 0.263 nan 8.150 nan 0.000 0.449 400 L N -0.562 120.681 121.223 0.034 0.000 2.017 400 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 400 L C 2.345 179.320 176.870 0.176 0.000 1.073 400 L CA 2.466 57.362 54.840 0.093 0.000 0.745 400 L CB -0.850 41.274 42.059 0.108 0.000 0.894 400 L HN 0.590 nan 8.230 nan 0.000 0.432 401 H N -0.999 118.069 119.070 -0.003 0.000 2.321 401 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 401 H C 2.120 177.448 175.328 0.000 0.000 1.087 401 H CA 0.777 56.824 56.048 -0.002 0.000 1.319 401 H CB -0.041 29.719 29.762 -0.003 0.000 1.379 401 H HN 0.555 nan 8.280 nan 0.000 0.501 402 A N 0.603 123.504 122.820 0.135 0.000 1.908 402 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 402 A C 2.440 180.055 177.584 0.052 0.000 1.181 402 A CA 2.122 54.203 52.037 0.072 0.000 0.627 402 A CB -0.827 18.200 19.000 0.045 0.000 0.818 402 A HN 0.336 nan 8.150 nan 0.000 0.445 403 T N -1.045 113.540 114.554 0.051 0.000 2.942 403 T HA -0.053 4.297 4.350 -0.000 0.000 0.265 403 T C 2.142 176.859 174.700 0.028 0.000 1.062 403 T CA 1.068 63.188 62.100 0.033 0.000 1.139 403 T CB -0.192 68.694 68.868 0.029 0.000 0.883 403 T HN 0.287 nan 8.240 nan 0.000 0.468 404 R N 2.030 122.550 120.500 0.033 0.000 2.080 404 R HA 0.082 4.422 4.340 -0.000 0.000 0.236 404 R C 2.508 178.812 176.300 0.008 0.000 1.137 404 R CA 1.916 58.023 56.100 0.013 0.000 0.943 404 R CB -1.233 29.065 30.300 -0.003 0.000 0.846 404 R HN 0.403 nan 8.270 nan 0.000 0.431 405 A N 0.191 123.020 122.820 0.015 0.000 1.902 405 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 405 A C 2.345 179.938 177.584 0.016 0.000 1.181 405 A CA 1.970 54.015 52.037 0.014 0.000 0.623 405 A CB -0.806 18.208 19.000 0.022 0.000 0.818 405 A HN 0.422 nan 8.150 nan 0.000 0.443 406 A N -0.076 122.755 122.820 0.019 0.000 1.933 406 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 406 A C 2.296 179.887 177.584 0.012 0.000 1.175 406 A CA 2.049 54.096 52.037 0.016 0.000 0.628 406 A CB -1.122 17.888 19.000 0.017 0.000 0.814 406 A HN 1.233 nan 8.150 nan 0.000 0.444 407 V N -2.349 117.571 119.914 0.011 0.000 2.871 407 V HA -0.107 4.013 4.120 -0.000 0.000 0.256 407 V C 1.726 177.824 176.094 0.006 0.000 1.082 407 V CA 2.152 64.457 62.300 0.008 0.000 1.105 407 V CB -0.605 31.222 31.823 0.007 0.000 0.713 407 V HN 0.582 nan 8.190 nan 0.000 0.473 408 E N 0.590 120.793 120.200 0.006 0.000 2.072 408 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 408 E C 1.610 178.214 176.600 0.006 0.000 0.982 408 E CA 1.614 58.017 56.400 0.005 0.000 0.803 408 E CB 0.052 29.754 29.700 0.003 0.000 0.755 408 E HN 0.770 nan 8.360 nan 0.000 0.453 409 E N -1.028 119.177 120.200 0.008 0.000 2.789 409 E HA 0.212 4.562 4.350 -0.000 0.000 0.217 409 E C 0.210 176.816 176.600 0.010 0.000 0.970 409 E CA 0.116 56.521 56.400 0.009 0.000 1.201 409 E CB 1.691 31.396 29.700 0.009 0.000 1.069 409 E HN 0.249 nan 8.360 nan 0.000 0.499 410 G N 0.895 109.702 108.800 0.011 0.000 2.542 410 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.235 410 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.235 410 G C -0.695 174.214 174.900 0.013 0.000 1.286 410 G CA -0.279 44.828 45.100 0.012 0.000 0.904 410 G HN 0.190 nan 8.290 nan 0.000 0.577 411 V N -0.218 119.704 119.914 0.014 0.000 2.969 411 V HA 0.700 4.820 4.120 -0.000 0.000 0.304 411 V C 0.011 176.114 176.094 0.016 0.000 1.192 411 V CA 0.264 62.573 62.300 0.015 0.000 0.962 411 V CB 1.861 33.692 31.823 0.014 0.000 1.045 411 V HN 2.103 nan 8.190 nan 0.000 0.428 412 V N 2.064 121.988 119.914 0.017 0.000 3.160 412 V HA 0.981 5.101 4.120 -0.000 0.000 0.310 412 V C 0.196 176.301 176.094 0.018 0.000 1.181 412 V CA -0.838 61.473 62.300 0.018 0.000 1.047 412 V CB 1.679 33.513 31.823 0.019 0.000 1.068 412 V HN 1.593 nan 8.190 nan 0.000 0.441 413 A N 1.054 123.887 122.820 0.021 0.000 2.561 413 A HA 0.559 4.879 4.320 -0.000 0.000 0.251 413 A C 0.933 178.527 177.584 0.016 0.000 1.062 413 A CA 0.799 52.847 52.037 0.019 0.000 0.761 413 A CB -0.859 18.157 19.000 0.026 0.000 0.986 413 A HN 1.978 nan 8.150 nan 0.000 0.510 414 G N 1.202 110.008 108.800 0.010 0.000 2.516 414 G HA2 0.522 4.482 3.960 -0.000 0.000 0.276 414 G HA3 0.522 4.482 3.960 -0.000 0.000 0.276 414 G C 1.134 176.040 174.900 0.010 0.000 1.390 414 G CA -0.022 45.084 45.100 0.009 0.000 1.050 414 G HN 2.254 nan 8.290 nan 0.000 0.519 415 G N -2.040 106.766 108.800 0.010 0.000 2.341 415 G HA2 0.235 4.195 3.960 -0.000 0.000 0.292 415 G HA3 0.235 4.195 3.960 -0.000 0.000 0.292 415 G C 1.442 176.357 174.900 0.025 0.000 1.021 415 G CA 1.249 46.359 45.100 0.016 0.000 0.905 415 G HN 2.475 nan 8.290 nan 0.000 0.508 416 G N -3.250 105.563 108.800 0.022 0.000 2.199 416 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 416 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 416 G C 1.325 176.240 174.900 0.025 0.000 0.982 416 G CA 1.051 46.164 45.100 0.023 0.000 0.632 416 G HN 1.434 nan 8.290 nan 0.000 0.529 417 V N 0.931 120.860 119.914 0.026 0.000 2.346 417 V HA 0.134 4.254 4.120 -0.000 0.000 0.244 417 V C 3.204 179.318 176.094 0.033 0.000 1.037 417 V CA 2.690 65.008 62.300 0.030 0.000 1.029 417 V CB -0.936 30.902 31.823 0.025 0.000 0.663 417 V HN 0.891 nan 8.190 nan 0.000 0.454 418 A N -0.082 122.755 122.820 0.029 0.000 1.948 418 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 418 A C 2.234 179.834 177.584 0.027 0.000 1.177 418 A CA 1.976 54.030 52.037 0.029 0.000 0.636 418 A CB -0.593 18.422 19.000 0.025 0.000 0.815 418 A HN 0.500 nan 8.150 nan 0.000 0.449 419 L N -1.123 120.115 121.223 0.025 0.000 2.056 419 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 419 L C 2.481 179.365 176.870 0.024 0.000 1.078 419 L CA 1.320 56.173 54.840 0.022 0.000 0.749 419 L CB -0.290 41.781 42.059 0.021 0.000 0.901 419 L HN 0.467 nan 8.230 nan 0.000 0.433 420 I N -0.442 120.144 120.570 0.027 0.000 2.676 420 I HA -0.271 3.899 4.170 -0.000 0.000 0.259 420 I C 2.702 178.840 176.117 0.037 0.000 1.194 420 I CA 0.752 62.069 61.300 0.030 0.000 1.473 420 I CB 0.055 38.074 38.000 0.031 0.000 1.096 420 I HN 0.198 nan 8.210 nan 0.000 0.443 421 R N 0.435 120.960 120.500 0.041 0.000 2.062 421 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 421 R C 2.273 178.595 176.300 0.036 0.000 1.128 421 R CA 2.075 58.203 56.100 0.047 0.000 0.960 421 R CB -0.555 29.777 30.300 0.053 0.000 0.855 421 R HN 0.389 nan 8.270 nan 0.000 0.432 422 V N -0.843 119.088 119.914 0.029 0.000 2.515 422 V HA 0.022 4.142 4.120 -0.000 0.000 0.250 422 V C 2.083 178.188 176.094 0.019 0.000 1.058 422 V CA 1.644 63.957 62.300 0.022 0.000 1.064 422 V CB -0.825 31.009 31.823 0.018 0.000 0.675 422 V HN 0.368 nan 8.190 nan 0.000 0.461 423 A N 1.923 124.755 122.820 0.020 0.000 1.883 423 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 423 A C 2.613 180.208 177.584 0.019 0.000 1.186 423 A CA 2.839 54.887 52.037 0.017 0.000 0.624 423 A CB -1.316 17.694 19.000 0.017 0.000 0.822 423 A HN 1.073 nan 8.150 nan 0.000 0.444 424 S N 0.040 115.754 115.700 0.024 0.000 2.440 424 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 424 S C 1.517 176.128 174.600 0.019 0.000 1.010 424 S CA 1.585 59.798 58.200 0.023 0.000 0.972 424 S CB -0.379 62.840 63.200 0.031 0.000 0.774 424 S HN 0.645 nan 8.310 nan 0.000 0.501 425 K N 0.580 120.992 120.400 0.019 0.000 2.459 425 K HA 0.295 4.615 4.320 -0.000 0.000 0.193 425 K C 0.926 177.532 176.600 0.011 0.000 1.030 425 K CA 0.337 56.633 56.287 0.015 0.000 1.026 425 K CB -0.080 32.430 32.500 0.016 0.000 0.809 425 K HN 0.405 nan 8.250 nan 0.000 0.504 426 L N -0.025 121.204 121.223 0.011 0.000 2.769 426 L HA 0.243 4.583 4.340 -0.000 0.000 0.240 426 L C 1.761 178.635 176.870 0.007 0.000 1.163 426 L CA -0.203 54.642 54.840 0.008 0.000 0.962 426 L CB 0.129 42.192 42.059 0.008 0.000 1.258 426 L HN 0.061 nan 8.230 nan 0.000 0.513 427 A N 0.291 123.115 122.820 0.007 0.000 2.042 427 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 427 A C 1.559 179.146 177.584 0.005 0.000 1.167 427 A CA 1.884 53.925 52.037 0.006 0.000 0.649 427 A CB -0.235 18.769 19.000 0.006 0.000 0.809 427 A HN 0.397 nan 8.150 nan 0.000 0.457 428 D N -1.198 119.204 120.400 0.004 0.000 2.339 428 D HA 0.155 4.795 4.640 -0.000 0.000 0.217 428 D C 0.213 176.515 176.300 0.003 0.000 1.050 428 D CA -0.234 53.767 54.000 0.003 0.000 0.856 428 D CB -0.104 40.697 40.800 0.002 0.000 0.922 428 D HN 0.350 nan 8.370 nan 0.000 0.518 429 L N 2.031 123.256 121.223 0.003 0.000 2.499 429 L HA 0.062 4.401 4.340 -0.000 0.000 0.273 429 L C 0.264 177.135 176.870 0.002 0.000 1.195 429 L CA 0.558 55.400 54.840 0.002 0.000 0.882 429 L CB 0.160 42.221 42.059 0.003 0.000 1.133 429 L HN -0.231 nan 8.230 nan 0.000 0.483 430 R N 3.079 123.579 120.500 0.002 0.000 2.930 430 R HA 0.787 5.127 4.340 -0.000 0.000 0.257 430 R C -0.172 176.128 176.300 0.001 0.000 1.107 430 R CA -0.390 55.711 56.100 0.001 0.000 0.999 430 R CB 1.316 31.617 30.300 0.001 0.000 1.209 430 R HN 0.788 nan 8.270 nan 0.000 0.486 431 G N -0.580 108.220 108.800 0.001 0.000 3.251 431 G HA2 0.242 4.202 3.960 -0.000 0.000 0.248 431 G HA3 0.242 4.202 3.960 -0.000 0.000 0.248 431 G C -0.047 174.853 174.900 0.001 0.000 1.320 431 G CA -0.357 44.743 45.100 0.001 0.000 0.982 431 G HN 0.386 nan 8.290 nan 0.000 0.575 432 Q N -0.464 119.336 119.800 0.000 0.000 2.291 432 Q HA 0.073 4.413 4.340 -0.000 0.000 0.205 432 Q C 0.461 176.461 176.000 0.001 0.000 0.970 432 Q CA 1.389 57.192 55.803 0.000 0.000 0.876 432 Q CB -0.099 28.639 28.738 0.000 0.000 0.935 432 Q HN 0.600 nan 8.270 nan 0.000 0.455 433 N N -2.127 116.573 118.700 0.001 0.000 3.378 433 N HA 0.007 4.747 4.740 -0.000 0.000 0.294 433 N C -0.144 175.367 175.510 0.001 0.000 1.544 433 N CA -0.545 52.505 53.050 0.001 0.000 0.872 433 N CB 0.312 38.800 38.487 0.001 0.000 1.670 433 N HN -0.193 nan 8.380 nan 0.000 0.551 434 E N -0.679 119.522 120.200 0.001 0.000 2.158 434 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 434 E C 0.332 176.933 176.600 0.002 0.000 0.982 434 E CA 1.392 57.793 56.400 0.001 0.000 0.823 434 E CB -0.265 29.435 29.700 0.001 0.000 0.766 434 E HN 0.549 nan 8.360 nan 0.000 0.468 435 D N 0.135 120.536 120.400 0.002 0.000 2.144 435 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 435 D C 1.748 178.049 176.300 0.003 0.000 0.978 435 D CA 0.782 54.783 54.000 0.003 0.000 0.833 435 D CB -0.134 40.668 40.800 0.003 0.000 0.961 435 D HN 0.324 nan 8.370 nan 0.000 0.470 436 Q N 0.180 119.981 119.800 0.002 0.000 2.124 436 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 436 Q C 1.818 177.819 176.000 0.002 0.000 0.977 436 Q CA 0.963 56.768 55.803 0.002 0.000 0.850 436 Q CB -0.068 28.671 28.738 0.002 0.000 0.901 436 Q HN 0.389 nan 8.270 nan 0.000 0.429 437 N N -0.345 118.356 118.700 0.002 0.000 2.084 437 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 437 N C 1.906 177.417 175.510 0.003 0.000 1.030 437 N CA 1.221 54.272 53.050 0.002 0.000 0.849 437 N CB -0.125 38.363 38.487 0.002 0.000 1.012 437 N HN 0.123 nan 8.380 nan 0.000 0.423 438 V N 0.720 120.635 119.914 0.003 0.000 2.469 438 V HA -0.107 4.013 4.120 -0.000 0.000 0.251 438 V C 1.975 178.072 176.094 0.004 0.000 1.064 438 V CA 2.272 64.574 62.300 0.003 0.000 1.066 438 V CB -1.179 30.646 31.823 0.003 0.000 0.667 438 V HN 0.311 nan 8.190 nan 0.000 0.461 439 G N 0.492 109.295 108.800 0.004 0.000 2.514 439 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 439 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 439 G C 1.516 176.418 174.900 0.004 0.000 1.198 439 G CA 1.580 46.682 45.100 0.004 0.000 0.780 439 G HN 0.579 nan 8.290 nan 0.000 0.565 440 I N 0.749 121.321 120.570 0.003 0.000 2.087 440 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 440 I C 2.840 178.959 176.117 0.004 0.000 1.054 440 I CA 1.694 62.996 61.300 0.003 0.000 1.311 440 I CB -0.190 37.812 38.000 0.003 0.000 1.024 440 I HN 0.026 nan 8.210 nan 0.000 0.402 441 K N 0.512 120.915 120.400 0.004 0.000 2.074 441 K HA -0.145 4.174 4.320 -0.000 0.000 0.209 441 K C 2.141 178.744 176.600 0.005 0.000 1.048 441 K CA 1.241 57.531 56.287 0.005 0.000 0.926 441 K CB -1.035 31.467 32.500 0.004 0.000 0.713 441 K HN 0.254 nan 8.250 nan 0.000 0.444 442 V N 1.642 121.559 119.914 0.005 0.000 2.324 442 V HA -0.288 3.831 4.120 -0.000 0.000 0.250 442 V C 2.506 178.604 176.094 0.007 0.000 1.060 442 V CA 2.139 64.443 62.300 0.006 0.000 1.042 442 V CB -0.830 30.997 31.823 0.006 0.000 0.650 442 V HN 0.353 nan 8.190 nan 0.000 0.450 443 A N -0.460 122.364 122.820 0.007 0.000 1.872 443 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 443 A C 2.177 179.766 177.584 0.008 0.000 1.187 443 A CA 1.495 53.537 52.037 0.007 0.000 0.614 443 A CB -0.497 18.506 19.000 0.005 0.000 0.826 443 A HN 0.488 nan 8.150 nan 0.000 0.442 444 L N -0.981 120.247 121.223 0.007 0.000 2.127 444 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 444 L C 2.781 179.657 176.870 0.010 0.000 1.089 444 L CA 1.800 56.645 54.840 0.009 0.000 0.757 444 L CB -0.485 41.579 42.059 0.008 0.000 0.899 444 L HN 0.480 nan 8.230 nan 0.000 0.434 445 R N 0.291 120.796 120.500 0.008 0.000 2.161 445 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 445 R C 2.226 178.531 176.300 0.009 0.000 1.055 445 R CA 0.894 56.999 56.100 0.008 0.000 0.996 445 R CB 0.011 30.315 30.300 0.007 0.000 0.901 445 R HN 0.277 nan 8.270 nan 0.000 0.456 446 A N 0.633 123.459 122.820 0.009 0.000 2.066 446 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 446 A C 1.938 179.529 177.584 0.012 0.000 1.157 446 A CA 0.761 52.804 52.037 0.011 0.000 0.670 446 A CB -0.228 18.779 19.000 0.012 0.000 0.804 446 A HN 0.302 nan 8.150 nan 0.000 0.453 447 M N -0.509 119.099 119.600 0.012 0.000 2.619 447 M HA -0.046 4.434 4.480 -0.000 0.000 0.251 447 M C 1.210 177.519 176.300 0.014 0.000 1.106 447 M CA 0.760 56.069 55.300 0.014 0.000 1.086 447 M CB -0.134 32.474 32.600 0.014 0.000 1.465 447 M HN 0.471 nan 8.290 nan 0.000 0.506 448 E N 0.221 120.428 120.200 0.012 0.000 2.385 448 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 448 E C 2.020 178.624 176.600 0.006 0.000 1.013 448 E CA 0.453 56.859 56.400 0.009 0.000 0.866 448 E CB 0.134 29.839 29.700 0.007 0.000 0.832 448 E HN 0.464 nan 8.360 nan 0.000 0.500 449 A N 2.417 125.241 122.820 0.008 0.000 1.898 449 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 449 A C -0.343 177.244 177.584 0.006 0.000 1.181 449 A CA 0.973 53.014 52.037 0.006 0.000 0.620 449 A CB -1.225 17.779 19.000 0.008 0.000 0.819 449 A HN 0.118 nan 8.150 nan 0.000 0.442 450 P HA -0.151 nan 4.420 nan 0.000 0.215 450 P C 1.731 179.036 177.300 0.009 0.000 1.157 450 P CA 0.974 64.081 63.100 0.011 0.000 0.868 450 P CB -0.123 31.587 31.700 0.016 0.000 0.788 451 L N -0.402 120.825 121.223 0.008 0.000 2.083 451 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 451 L C 2.332 179.192 176.870 -0.016 0.000 1.083 451 L CA 1.783 56.625 54.840 0.003 0.000 0.752 451 L CB -0.680 41.381 42.059 0.004 0.000 0.899 451 L HN -0.230 nan 8.230 nan 0.000 0.433 452 R N -0.909 119.581 120.500 -0.017 0.000 2.081 452 R HA -0.203 4.136 4.340 -0.000 0.000 0.235 452 R C 2.339 178.628 176.300 -0.019 0.000 1.131 452 R CA 1.546 57.630 56.100 -0.026 0.000 0.960 452 R CB -0.544 29.746 30.300 -0.017 0.000 0.856 452 R HN 0.376 nan 8.270 nan 0.000 0.436 453 Q N 1.195 120.991 119.800 -0.007 0.000 2.050 453 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 453 Q C 1.918 177.919 176.000 0.002 0.000 0.980 453 Q CA 1.597 57.400 55.803 -0.001 0.000 0.840 453 Q CB -0.252 28.488 28.738 0.004 0.000 0.898 453 Q HN 0.336 nan 8.270 nan 0.000 0.424 454 I N -0.643 119.932 120.570 0.008 0.000 2.194 454 I HA -0.296 3.874 4.170 -0.000 0.000 0.246 454 I C 1.999 178.133 176.117 0.027 0.000 1.093 454 I CA 1.053 62.366 61.300 0.021 0.000 1.355 454 I CB -0.205 37.815 38.000 0.034 0.000 1.046 454 I HN 0.072 nan 8.210 nan 0.000 0.413 455 V N 0.223 120.136 119.914 -0.001 0.000 2.453 455 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 455 V C 2.245 178.329 176.094 -0.017 0.000 1.048 455 V CA 1.234 63.517 62.300 -0.029 0.000 1.049 455 V CB -0.310 31.416 31.823 -0.162 0.000 0.672 455 V HN 0.346 nan 8.190 nan 0.000 0.457 456 L N 0.928 122.141 121.223 -0.017 0.000 2.046 456 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 456 L C 2.163 179.034 176.870 0.002 0.000 1.077 456 L CA 1.904 56.738 54.840 -0.010 0.000 0.747 456 L CB -0.795 41.259 42.059 -0.009 0.000 0.896 456 L HN 0.317 nan 8.230 nan 0.000 0.432 457 N N -0.959 117.746 118.700 0.008 0.000 2.309 457 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 457 N C 1.697 177.217 175.510 0.016 0.000 1.018 457 N CA 1.553 54.609 53.050 0.011 0.000 0.876 457 N CB -0.775 37.719 38.487 0.011 0.000 0.972 457 N HN 0.442 nan 8.380 nan 0.000 0.434 458 C N -0.145 119.172 119.300 0.028 0.000 2.491 458 C HA 0.213 4.673 4.460 -0.000 0.000 0.277 458 C C 1.739 176.746 174.990 0.028 0.000 1.455 458 C CA 0.166 59.207 59.018 0.038 0.000 1.758 458 C CB -1.347 26.442 27.740 0.081 0.000 1.745 458 C HN 0.605 nan 8.230 nan 0.000 0.558 459 G N 0.921 109.731 108.800 0.017 0.000 2.153 459 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 459 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 459 G C -0.153 174.753 174.900 0.011 0.000 0.994 459 G CA 0.333 45.440 45.100 0.012 0.000 0.698 459 G HN 0.540 nan 8.290 nan 0.000 0.521 460 E N 0.019 120.223 120.200 0.007 0.000 2.267 460 E HA 0.416 4.765 4.350 -0.000 0.000 0.258 460 E C 0.228 176.807 176.600 -0.034 0.000 1.074 460 E CA -0.769 55.625 56.400 -0.010 0.000 0.915 460 E CB 0.633 30.322 29.700 -0.019 0.000 1.186 460 E HN 0.455 nan 8.360 nan 0.000 0.439 461 E N 2.399 122.576 120.200 -0.038 0.000 2.070 461 E HA 0.062 4.412 4.350 -0.000 0.000 0.282 461 E C -1.475 175.085 176.600 -0.065 0.000 1.104 461 E CA -1.585 54.793 56.400 -0.036 0.000 0.876 461 E CB 0.813 30.502 29.700 -0.018 0.000 1.055 461 E HN 0.160 nan 8.360 nan 0.000 0.401 462 P HA -0.197 nan 4.420 nan 0.000 0.217 462 P C 1.326 178.591 177.300 -0.058 0.000 1.150 462 P CA 1.112 64.167 63.100 -0.075 0.000 0.832 462 P CB 0.229 31.900 31.700 -0.048 0.000 0.787 463 S N -1.060 114.619 115.700 -0.035 0.000 2.453 463 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 463 S C 1.940 176.530 174.600 -0.017 0.000 1.005 463 S CA 0.788 58.975 58.200 -0.022 0.000 0.949 463 S CB -1.411 61.782 63.200 -0.012 0.000 0.774 463 S HN -0.039 nan 8.310 nan 0.000 0.510 464 V N 1.253 121.154 119.914 -0.021 0.000 2.446 464 V HA -0.025 4.095 4.120 -0.000 0.000 0.244 464 V C 2.623 178.723 176.094 0.010 0.000 1.039 464 V CA 1.236 63.535 62.300 -0.001 0.000 1.045 464 V CB -0.462 31.365 31.823 0.007 0.000 0.681 464 V HN 0.446 nan 8.190 nan 0.000 0.459 465 V N 0.622 120.503 119.914 -0.055 0.000 2.343 465 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 465 V C 2.729 178.815 176.094 -0.015 0.000 1.051 465 V CA 2.046 64.290 62.300 -0.093 0.000 1.036 465 V CB -1.108 30.430 31.823 -0.476 0.000 0.654 465 V HN 0.545 nan 8.190 nan 0.000 0.451 466 A N 0.370 123.172 122.820 -0.031 0.000 1.933 466 A HA -0.283 4.036 4.320 -0.000 0.000 0.218 466 A C 2.066 179.668 177.584 0.030 0.000 1.175 466 A CA 2.318 54.356 52.037 0.002 0.000 0.628 466 A CB -0.838 18.159 19.000 -0.006 0.000 0.814 466 A HN 0.635 nan 8.150 nan 0.000 0.444 467 N N -0.784 117.931 118.700 0.024 0.000 2.142 467 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 467 N C 1.671 177.205 175.510 0.041 0.000 1.023 467 N CA 2.211 55.277 53.050 0.026 0.000 0.852 467 N CB -0.295 38.201 38.487 0.015 0.000 0.998 467 N HN 0.367 nan 8.380 nan 0.000 0.424 468 T N -0.455 114.130 114.554 0.052 0.000 2.737 468 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 468 T C 1.946 176.739 174.700 0.155 0.000 1.038 468 T CA 1.290 63.417 62.100 0.045 0.000 1.144 468 T CB -0.454 68.386 68.868 -0.047 0.000 0.866 468 T HN 0.016 nan 8.240 nan 0.000 0.434 469 V N 1.850 121.878 119.914 0.190 0.000 2.343 469 V HA -0.179 3.940 4.120 -0.000 0.000 0.247 469 V C 2.452 178.660 176.094 0.189 0.000 1.051 469 V CA 1.540 63.968 62.300 0.212 0.000 1.036 469 V CB -0.501 31.400 31.823 0.130 0.000 0.654 469 V HN 0.485 nan 8.190 nan 0.000 0.451 470 K N 0.301 120.768 120.400 0.113 0.000 2.280 470 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 470 K C 2.073 178.715 176.600 0.070 0.000 1.047 470 K CA 1.289 57.624 56.287 0.081 0.000 0.942 470 K CB -0.445 32.085 32.500 0.049 0.000 0.739 470 K HN 0.576 nan 8.250 nan 0.000 0.457 471 G N 1.238 110.077 108.800 0.066 0.000 2.650 471 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.214 471 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.214 471 G C 0.721 175.618 174.900 -0.004 0.000 1.136 471 G CA 0.345 45.458 45.100 0.022 0.000 0.789 471 G HN 0.317 nan 8.290 nan 0.000 0.536 472 G N -0.834 107.995 108.800 0.049 0.000 2.543 472 G HA2 0.459 4.419 3.960 -0.000 0.000 0.290 472 G HA3 0.459 4.419 3.960 -0.000 0.000 0.290 472 G C -1.304 173.603 174.900 0.012 0.000 1.310 472 G CA -0.274 44.777 45.100 -0.082 0.000 1.025 472 G HN 0.105 nan 8.290 nan 0.000 0.502 473 D N -2.534 117.858 120.400 -0.013 0.000 2.423 473 D HA 0.559 5.199 4.640 -0.000 0.000 0.235 473 D C 0.796 177.149 176.300 0.089 0.000 1.011 473 D CA 1.013 55.034 54.000 0.035 0.000 0.963 473 D CB 1.597 42.395 40.800 -0.004 0.000 1.349 473 D HN 1.033 nan 8.370 nan 0.000 0.508 474 G N 1.691 110.537 108.800 0.076 0.000 2.575 474 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.267 474 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.267 474 G C 0.467 175.435 174.900 0.112 0.000 1.264 474 G CA 0.046 45.194 45.100 0.080 0.000 0.935 474 G HN 0.615 nan 8.290 nan 0.000 0.568 475 N N 0.272 119.034 118.700 0.103 0.000 2.551 475 N HA 0.004 4.744 4.740 -0.000 0.000 0.199 475 N C 0.521 176.115 175.510 0.141 0.000 1.277 475 N CA 0.568 53.678 53.050 0.100 0.000 0.870 475 N CB -0.157 38.370 38.487 0.067 0.000 1.028 475 N HN 0.490 nan 8.380 nan 0.000 0.452 476 Y N 1.287 121.618 120.300 0.053 0.000 2.526 476 Y HA 0.309 4.859 4.550 -0.000 0.000 0.330 476 Y C 0.936 176.904 175.900 0.113 0.000 1.156 476 Y CA 0.346 58.492 58.100 0.076 0.000 1.419 476 Y CB 0.225 38.721 38.460 0.060 0.000 1.250 476 Y HN 0.112 nan 8.280 nan 0.000 0.540 477 G N 3.897 112.383 108.800 -0.524 0.000 2.570 477 G HA2 0.229 4.189 3.960 -0.000 0.000 0.310 477 G HA3 0.229 4.189 3.960 -0.000 0.000 0.310 477 G C -2.454 172.354 174.900 -0.153 0.000 1.266 477 G CA -0.910 44.032 45.100 -0.262 0.000 0.825 477 G HN 0.549 nan 8.290 nan 0.000 0.483 478 Y N 1.360 121.533 120.300 -0.212 0.000 2.352 478 Y HA 0.647 5.197 4.550 -0.001 0.000 0.339 478 Y C -0.286 175.473 175.900 -0.235 0.000 0.992 478 Y CA -1.356 56.544 58.100 -0.333 0.000 1.100 478 Y CB 1.868 40.108 38.460 -0.367 0.000 1.192 478 Y HN 0.450 nan 8.280 nan 0.000 0.458 479 N N 4.577 122.935 118.700 -0.571 0.000 2.469 479 N HA 0.210 4.950 4.740 -0.000 0.000 0.239 479 N C 0.277 175.415 175.510 -0.619 0.000 1.053 479 N CA 0.520 53.301 53.050 -0.449 0.000 0.937 479 N CB 1.387 39.686 38.487 -0.312 0.000 1.163 479 N HN 0.901 nan 8.380 nan 0.000 0.509 480 A N 3.848 126.468 122.820 -0.333 0.000 2.015 480 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 480 A C 2.077 179.561 177.584 -0.167 0.000 1.163 480 A CA 1.464 53.374 52.037 -0.212 0.000 0.646 480 A CB -0.524 18.485 19.000 0.015 0.000 0.806 480 A HN 0.722 nan 8.150 nan 0.000 0.448 481 A N -0.003 122.729 122.820 -0.147 0.000 1.851 481 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 481 A C 2.369 179.870 177.584 -0.139 0.000 1.195 481 A CA 2.655 54.624 52.037 -0.113 0.000 0.622 481 A CB -1.253 17.692 19.000 -0.091 0.000 0.831 481 A HN 0.795 nan 8.150 nan 0.000 0.444 482 T N -3.580 110.858 114.554 -0.193 0.000 3.060 482 T HA 0.266 4.616 4.350 -0.000 0.000 0.249 482 T C 0.273 174.839 174.700 -0.223 0.000 1.079 482 T CA 0.679 62.676 62.100 -0.172 0.000 1.013 482 T CB -0.217 68.559 68.868 -0.153 0.000 0.975 482 T HN 0.564 nan 8.240 nan 0.000 0.518 483 E N 1.319 121.289 120.200 -0.383 0.000 2.252 483 E HA -0.136 4.213 4.350 -0.000 0.000 0.218 483 E C -0.719 175.588 176.600 -0.487 0.000 1.253 483 E CA 0.364 56.442 56.400 -0.537 0.000 0.705 483 E CB -0.760 28.838 29.700 -0.170 0.000 1.172 483 E HN 0.582 nan 8.360 nan 0.000 0.369 484 E N -0.486 119.354 120.200 -0.600 0.000 2.393 484 E HA 0.360 4.709 4.350 -0.000 0.000 0.273 484 E C -0.666 175.680 176.600 -0.425 0.000 0.918 484 E CA -0.786 55.420 56.400 -0.322 0.000 0.773 484 E CB 0.931 30.542 29.700 -0.149 0.000 1.275 484 E HN 0.078 nan 8.360 nan 0.000 0.451 485 Y N -0.213 120.065 120.300 -0.038 0.000 2.316 485 Y HA 0.614 5.164 4.550 -0.000 0.000 0.324 485 Y C 1.177 177.043 175.900 -0.057 0.000 1.267 485 Y CA 0.437 58.497 58.100 -0.066 0.000 1.311 485 Y CB 1.599 40.079 38.460 0.033 0.000 1.267 485 Y HN 0.608 nan 8.280 nan 0.000 0.516 486 G N 0.764 109.591 108.800 0.045 0.000 2.349 486 G HA2 0.036 3.996 3.960 -0.000 0.000 0.294 486 G HA3 0.036 3.996 3.960 -0.000 0.000 0.294 486 G C -2.030 172.909 174.900 0.066 0.000 1.380 486 G CA -1.186 43.966 45.100 0.087 0.000 0.811 486 G HN 0.547 nan 8.290 nan 0.000 0.519 487 N N 0.961 119.723 118.700 0.103 0.000 2.408 487 N HA 0.102 4.842 4.740 -0.000 0.000 0.257 487 N C 1.709 177.241 175.510 0.035 0.000 1.064 487 N CA -0.525 52.581 53.050 0.094 0.000 0.952 487 N CB 0.832 39.377 38.487 0.097 0.000 1.093 487 N HN 0.426 nan 8.380 nan 0.000 0.490 488 M N 3.173 122.784 119.600 0.018 0.000 2.108 488 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 488 M C 1.507 177.811 176.300 0.007 0.000 1.066 488 M CA 1.183 56.482 55.300 -0.001 0.000 1.107 488 M CB -0.438 32.161 32.600 -0.001 0.000 1.356 488 M HN 0.548 nan 8.290 nan 0.000 0.406 489 I N 0.632 121.214 120.570 0.021 0.000 2.252 489 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 489 I C 1.909 178.035 176.117 0.014 0.000 1.102 489 I CA 1.459 62.770 61.300 0.018 0.000 1.385 489 I CB -1.519 36.495 38.000 0.024 0.000 1.064 489 I HN 0.222 nan 8.210 nan 0.000 0.414 490 D N 0.468 120.880 120.400 0.019 0.000 2.144 490 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 490 D C 2.216 178.519 176.300 0.005 0.000 0.984 490 D CA 1.081 55.090 54.000 0.014 0.000 0.834 490 D CB -0.158 40.655 40.800 0.021 0.000 0.955 490 D HN 0.310 nan 8.370 nan 0.000 0.465 491 M N -0.701 118.898 119.600 -0.002 0.000 2.659 491 M HA 0.107 4.587 4.480 -0.000 0.000 0.243 491 M C 1.124 177.413 176.300 -0.018 0.000 1.111 491 M CA 0.628 55.919 55.300 -0.016 0.000 1.070 491 M CB 0.249 32.829 32.600 -0.033 0.000 1.525 491 M HN 0.045 nan 8.290 nan 0.000 0.517 492 G N 2.071 110.865 108.800 -0.009 0.000 2.198 492 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G C -0.030 174.863 174.900 -0.012 0.000 1.025 492 G CA -0.114 44.980 45.100 -0.008 0.000 0.769 492 G HN 0.523 nan 8.290 nan 0.000 0.507 493 I N 0.904 121.465 120.570 -0.016 0.000 2.282 493 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 493 I C 0.269 176.382 176.117 -0.006 0.000 1.090 493 I CA -0.790 60.500 61.300 -0.017 0.000 1.231 493 I CB 0.399 38.380 38.000 -0.032 0.000 1.434 493 I HN 0.239 nan 8.210 nan 0.000 0.487 494 L N 3.540 124.762 121.223 -0.001 0.000 2.409 494 L HA 0.778 5.117 4.340 -0.000 0.000 0.255 494 L C -1.244 175.631 176.870 0.009 0.000 1.027 494 L CA -0.808 54.035 54.840 0.006 0.000 0.834 494 L CB 1.388 43.452 42.059 0.008 0.000 1.426 494 L HN 0.057 nan 8.230 nan 0.000 0.411 495 D N -0.199 120.209 120.400 0.013 0.000 2.433 495 D HA 0.537 5.177 4.640 -0.000 0.000 0.236 495 D C -2.754 173.557 176.300 0.018 0.000 1.026 495 D CA -1.362 52.647 54.000 0.016 0.000 0.884 495 D CB 2.128 42.940 40.800 0.018 0.000 1.384 495 D HN 0.379 nan 8.370 nan 0.000 0.477 496 P HA 0.061 nan 4.420 nan 0.000 0.267 496 P C 0.825 178.138 177.300 0.021 0.000 1.205 496 P CA 0.056 63.169 63.100 0.021 0.000 0.765 496 P CB 0.485 32.201 31.700 0.025 0.000 0.828 497 T N 2.424 116.989 114.554 0.018 0.000 2.685 497 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 497 T C 1.615 176.326 174.700 0.019 0.000 1.034 497 T CA 1.553 63.663 62.100 0.017 0.000 1.149 497 T CB -0.379 68.497 68.868 0.014 0.000 0.860 497 T HN 0.492 nan 8.240 nan 0.000 0.449 498 K N 0.698 121.110 120.400 0.020 0.000 2.103 498 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 498 K C 2.388 179.009 176.600 0.036 0.000 1.048 498 K CA 1.443 57.744 56.287 0.024 0.000 0.930 498 K CB -0.346 32.168 32.500 0.023 0.000 0.716 498 K HN 0.341 nan 8.250 nan 0.000 0.444 499 V N -0.507 119.429 119.914 0.037 0.000 2.488 499 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 499 V C 1.662 177.783 176.094 0.045 0.000 1.046 499 V CA 2.260 64.588 62.300 0.046 0.000 1.053 499 V CB -0.384 31.464 31.823 0.042 0.000 0.679 499 V HN 0.313 nan 8.190 nan 0.000 0.458 500 T N 0.512 115.086 114.554 0.034 0.000 2.812 500 T HA -0.102 4.247 4.350 -0.000 0.000 0.264 500 T C 1.938 176.655 174.700 0.028 0.000 1.042 500 T CA 1.876 63.994 62.100 0.031 0.000 1.140 500 T CB -0.329 68.554 68.868 0.024 0.000 0.870 500 T HN 0.620 nan 8.240 nan 0.000 0.445 501 R N 1.012 121.525 120.500 0.022 0.000 2.073 501 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 501 R C 2.446 178.749 176.300 0.004 0.000 1.134 501 R CA 1.844 57.949 56.100 0.007 0.000 0.952 501 R CB -0.326 29.974 30.300 -0.000 0.000 0.850 501 R HN 0.232 nan 8.270 nan 0.000 0.433 502 S N 0.579 116.302 115.700 0.038 0.000 2.368 502 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 502 S C 2.049 176.746 174.600 0.163 0.000 1.029 502 S CA 1.022 59.279 58.200 0.094 0.000 0.988 502 S CB -0.232 63.086 63.200 0.195 0.000 0.838 502 S HN 0.572 nan 8.310 nan 0.000 0.462 503 A N 1.694 124.588 122.820 0.123 0.000 1.908 503 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 503 A C 2.103 179.742 177.584 0.091 0.000 1.181 503 A CA 1.134 53.243 52.037 0.119 0.000 0.627 503 A CB -0.783 18.262 19.000 0.074 0.000 0.818 503 A HN 0.446 nan 8.150 nan 0.000 0.445 504 L N -0.837 120.414 121.223 0.047 0.000 2.017 504 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 504 L C 2.806 179.677 176.870 0.002 0.000 1.073 504 L CA 2.086 56.939 54.840 0.022 0.000 0.745 504 L CB -0.522 41.541 42.059 0.006 0.000 0.894 504 L HN 0.554 nan 8.230 nan 0.000 0.432 505 Q N -1.488 118.283 119.800 -0.047 0.000 2.049 505 Q HA -0.214 4.126 4.340 -0.000 0.000 0.198 505 Q C 2.063 177.975 176.000 -0.146 0.000 0.971 505 Q CA 1.624 57.344 55.803 -0.138 0.000 0.833 505 Q CB -0.179 28.409 28.738 -0.249 0.000 0.896 505 Q HN 0.442 nan 8.270 nan 0.000 0.434 506 Y N 0.464 120.766 120.300 0.004 0.000 2.145 506 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 506 Y C 2.438 178.341 175.900 0.004 0.000 1.145 506 Y CA 1.121 59.223 58.100 0.003 0.000 1.148 506 Y CB -0.794 37.667 38.460 0.003 0.000 0.981 506 Y HN 0.143 nan 8.280 nan 0.000 0.507 507 A N 0.076 122.988 122.820 0.152 0.000 1.908 507 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 507 A C 2.461 180.080 177.584 0.058 0.000 1.181 507 A CA 2.161 54.251 52.037 0.088 0.000 0.627 507 A CB -1.302 17.735 19.000 0.062 0.000 0.818 507 A HN 0.421 nan 8.150 nan 0.000 0.445 508 A N -0.945 121.896 122.820 0.036 0.000 1.969 508 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 508 A C 2.443 180.039 177.584 0.019 0.000 1.169 508 A CA 2.081 54.128 52.037 0.017 0.000 0.635 508 A CB -0.832 18.167 19.000 -0.002 0.000 0.810 508 A HN 0.611 nan 8.150 nan 0.000 0.445 509 S N -0.104 115.612 115.700 0.025 0.000 2.343 509 S HA -0.155 4.315 4.470 -0.000 0.000 0.219 509 S C 2.019 176.648 174.600 0.048 0.000 1.033 509 S CA 2.144 60.364 58.200 0.033 0.000 1.014 509 S CB -0.827 62.403 63.200 0.051 0.000 0.915 509 S HN 0.670 nan 8.310 nan 0.000 0.435 510 V N 1.902 121.856 119.914 0.067 0.000 2.343 510 V HA -0.027 4.093 4.120 -0.000 0.000 0.247 510 V C 2.880 178.996 176.094 0.036 0.000 1.051 510 V CA 1.657 63.987 62.300 0.050 0.000 1.036 510 V CB -1.989 29.863 31.823 0.048 0.000 0.654 510 V HN 0.577 nan 8.190 nan 0.000 0.451 511 A N 1.419 124.260 122.820 0.034 0.000 1.948 511 A HA -0.093 4.226 4.320 -0.000 0.000 0.220 511 A C 2.376 179.971 177.584 0.020 0.000 1.177 511 A CA 2.313 54.365 52.037 0.025 0.000 0.636 511 A CB -1.389 17.624 19.000 0.022 0.000 0.815 511 A HN 0.639 nan 8.150 nan 0.000 0.449 512 G N -0.525 108.287 108.800 0.019 0.000 2.394 512 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.215 512 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.215 512 G C 1.550 176.459 174.900 0.016 0.000 1.165 512 G CA 0.837 45.946 45.100 0.015 0.000 0.784 512 G HN 0.424 nan 8.290 nan 0.000 0.535 513 L N -0.253 120.982 121.223 0.020 0.000 2.046 513 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 513 L C 2.889 179.770 176.870 0.018 0.000 1.077 513 L CA 1.465 56.316 54.840 0.019 0.000 0.747 513 L CB -0.299 41.774 42.059 0.023 0.000 0.896 513 L HN 0.279 nan 8.230 nan 0.000 0.432 514 M N -0.309 119.303 119.600 0.019 0.000 2.175 514 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 514 M C 2.173 178.482 176.300 0.015 0.000 1.063 514 M CA 1.699 57.010 55.300 0.018 0.000 1.119 514 M CB 0.003 32.615 32.600 0.019 0.000 1.377 514 M HN 0.118 nan 8.290 nan 0.000 0.415 515 I N -0.066 120.513 120.570 0.015 0.000 2.567 515 I HA -0.203 3.967 4.170 -0.000 0.000 0.257 515 I C 1.105 177.231 176.117 0.014 0.000 1.184 515 I CA 1.447 62.754 61.300 0.013 0.000 1.451 515 I CB -0.203 37.804 38.000 0.012 0.000 1.089 515 I HN 0.439 nan 8.210 nan 0.000 0.441 516 T N -3.511 111.052 114.554 0.015 0.000 3.269 516 T HA 0.211 4.560 4.350 -0.000 0.000 0.269 516 T C 0.376 175.086 174.700 0.018 0.000 0.993 516 T CA -0.371 61.739 62.100 0.016 0.000 0.909 516 T CB -0.287 68.590 68.868 0.015 0.000 1.115 516 T HN -0.119 nan 8.240 nan 0.000 0.543 517 T N 2.271 116.834 114.554 0.016 0.000 2.771 517 T HA 0.316 4.666 4.350 -0.000 0.000 0.291 517 T C 0.637 175.347 174.700 0.017 0.000 0.954 517 T CA -0.492 61.616 62.100 0.014 0.000 1.045 517 T CB 1.542 70.416 68.868 0.009 0.000 0.917 517 T HN 0.096 nan 8.240 nan 0.000 0.484 518 E N 0.665 120.881 120.200 0.027 0.000 2.447 518 E HA 0.165 4.515 4.350 -0.000 0.000 0.204 518 E C 0.110 176.725 176.600 0.025 0.000 0.977 518 E CA 0.130 56.565 56.400 0.059 0.000 0.950 518 E CB 0.609 30.375 29.700 0.110 0.000 0.975 518 E HN 0.535 nan 8.360 nan 0.000 0.496 519 C N 0.631 119.892 119.300 -0.065 0.000 2.686 519 C HA 0.665 5.124 4.460 -0.000 0.000 0.318 519 C C -1.100 173.787 174.990 -0.172 0.000 1.160 519 C CA -0.609 58.258 59.018 -0.251 0.000 1.396 519 C CB 0.321 27.916 27.740 -0.241 0.000 1.924 519 C HN 0.124 nan 8.230 nan 0.000 0.471 520 M N 5.038 124.525 119.600 -0.189 0.000 2.395 520 M HA 0.593 5.073 4.480 -0.000 0.000 0.307 520 M C -1.007 175.338 176.300 0.075 0.000 1.091 520 M CA -0.548 54.756 55.300 0.007 0.000 0.919 520 M CB 2.086 34.782 32.600 0.159 0.000 1.662 520 M HN 0.351 nan 8.290 nan 0.000 0.440 521 V N 1.266 121.210 119.914 0.049 0.000 2.495 521 V HA 0.827 4.947 4.120 -0.000 0.000 0.298 521 V C -0.217 175.854 176.094 -0.039 0.000 1.031 521 V CA -0.371 61.944 62.300 0.025 0.000 0.871 521 V CB 1.943 33.760 31.823 -0.011 0.000 0.988 521 V HN 0.962 nan 8.190 nan 0.000 0.432 522 T N 1.709 116.198 114.554 -0.108 0.000 2.739 522 T HA 0.362 4.712 4.350 -0.000 0.000 0.303 522 T C -1.685 172.920 174.700 -0.158 0.000 1.389 522 T CA -0.583 61.397 62.100 -0.200 0.000 1.001 522 T CB 1.958 70.566 68.868 -0.433 0.000 1.436 522 T HN 0.609 nan 8.240 nan 0.000 0.500 523 D N 1.585 121.899 120.400 -0.144 0.000 2.339 523 D HA 0.334 4.974 4.640 -0.000 0.000 0.245 523 D C 0.189 176.431 176.300 -0.097 0.000 1.115 523 D CA -0.083 53.861 54.000 -0.093 0.000 0.917 523 D CB 0.570 41.326 40.800 -0.074 0.000 1.192 523 D HN 0.433 nan 8.370 nan 0.000 0.428 524 L N 3.421 124.614 121.223 -0.049 0.000 2.499 524 L HA 0.111 4.451 4.340 -0.000 0.000 0.273 524 L C -1.228 175.620 176.870 -0.036 0.000 1.195 524 L CA -1.289 53.533 54.840 -0.030 0.000 0.882 524 L CB -0.003 42.053 42.059 -0.004 0.000 1.133 524 L HN 0.286 nan 8.230 nan 0.000 0.483 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.082 63.100 -0.030 0.000 0.800 525 P CB 0.000 31.691 31.700 -0.015 0.000 0.726