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 1wf4_1_i DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.556 177.584 -0.047 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 3 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 4 K N 0.457 120.831 120.400 -0.044 0.000 2.520 4 K HA 0.726 5.046 4.320 -0.000 0.000 0.256 4 K C -0.269 176.299 176.600 -0.054 0.000 1.033 4 K CA -0.521 55.729 56.287 -0.062 0.000 1.007 4 K CB 1.275 33.743 32.500 -0.053 0.000 1.330 4 K HN 0.927 nan 8.250 nan 0.000 0.507 5 I N 0.801 121.333 120.570 -0.063 0.000 2.637 5 I HA 0.194 4.363 4.170 -0.000 0.000 0.285 5 I C -1.564 174.512 176.117 -0.069 0.000 1.222 5 I CA -0.537 60.735 61.300 -0.047 0.000 1.067 5 I CB 0.813 38.785 38.000 -0.046 0.000 1.279 5 I HN 0.355 nan 8.210 nan 0.000 0.441 6 L N 7.274 128.465 121.223 -0.054 0.000 2.375 6 L HA 0.671 5.011 4.340 -0.000 0.000 0.271 6 L C -0.713 176.062 176.870 -0.158 0.000 1.107 6 L CA -0.707 54.039 54.840 -0.157 0.000 0.806 6 L CB 1.656 43.674 42.059 -0.069 0.000 1.146 6 L HN 0.355 nan 8.230 nan 0.000 0.447 7 V N 2.400 122.075 119.914 -0.400 0.000 2.752 7 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 7 V C -0.775 175.088 176.094 -0.385 0.000 1.133 7 V CA -0.542 61.639 62.300 -0.199 0.000 0.919 7 V CB 1.718 33.483 31.823 -0.098 0.000 1.026 7 V HN 0.427 nan 8.190 nan 0.000 0.429 8 F N 0.653 120.605 119.950 0.003 0.000 2.611 8 F HA 0.622 5.149 4.527 -0.000 0.000 0.374 8 F C 1.223 177.025 175.800 0.003 0.000 1.110 8 F CA -0.613 57.389 58.000 0.003 0.000 1.090 8 F CB 0.291 39.292 39.000 0.002 0.000 1.388 8 F HN 0.582 nan 8.300 nan 0.000 0.501 9 D N 0.183 120.724 120.400 0.235 0.000 3.470 9 D HA -0.335 4.305 4.640 -0.000 0.000 0.175 9 D C 1.394 177.740 176.300 0.077 0.000 1.216 9 D CA 1.624 55.697 54.000 0.122 0.000 0.889 9 D CB -0.594 40.267 40.800 0.101 0.000 0.506 9 D HN 0.768 nan 8.370 nan 0.000 0.500 10 E N 0.722 120.957 120.200 0.058 0.000 2.171 10 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 10 E C 2.097 178.720 176.600 0.039 0.000 0.997 10 E CA 1.360 57.784 56.400 0.040 0.000 0.810 10 E CB -0.213 29.506 29.700 0.032 0.000 0.738 10 E HN 0.431 nan 8.360 nan 0.000 0.467 11 A N 1.222 124.074 122.820 0.054 0.000 1.873 11 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 11 A C 2.368 179.970 177.584 0.031 0.000 1.193 11 A CA 2.271 54.337 52.037 0.048 0.000 0.629 11 A CB -0.894 18.149 19.000 0.072 0.000 0.826 11 A HN 0.402 nan 8.150 nan 0.000 0.447 12 A N -0.534 122.302 122.820 0.027 0.000 1.841 12 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 12 A C 2.218 179.803 177.584 0.002 0.000 1.195 12 A CA 1.580 53.615 52.037 -0.004 0.000 0.611 12 A CB -0.563 18.418 19.000 -0.032 0.000 0.835 12 A HN 0.537 nan 8.150 nan 0.000 0.443 13 R N -0.986 119.520 120.500 0.010 0.000 2.117 13 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 13 R C 2.351 178.657 176.300 0.009 0.000 1.143 13 R CA 1.427 57.533 56.100 0.010 0.000 0.968 13 R CB -0.268 30.041 30.300 0.015 0.000 0.863 13 R HN 0.322 nan 8.270 nan 0.000 0.444 14 R N 0.158 120.666 120.500 0.013 0.000 2.090 14 R HA 0.019 4.359 4.340 -0.000 0.000 0.228 14 R C 2.183 178.488 176.300 0.009 0.000 1.110 14 R CA 1.363 57.471 56.100 0.012 0.000 0.973 14 R CB -0.743 29.566 30.300 0.015 0.000 0.869 14 R HN 0.243 nan 8.270 nan 0.000 0.440 15 A N 1.486 124.311 122.820 0.009 0.000 1.858 15 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 15 A C 2.409 179.996 177.584 0.005 0.000 1.190 15 A CA 1.207 53.249 52.037 0.007 0.000 0.617 15 A CB -0.729 18.275 19.000 0.006 0.000 0.827 15 A HN 0.185 nan 8.150 nan 0.000 0.443 16 L N -0.695 120.529 121.223 0.002 0.000 2.013 16 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 16 L C 2.728 179.599 176.870 0.002 0.000 1.073 16 L CA 2.105 56.946 54.840 0.001 0.000 0.753 16 L CB -0.670 41.388 42.059 -0.001 0.000 0.890 16 L HN 0.664 nan 8.230 nan 0.000 0.432 17 E N 0.469 120.672 120.200 0.004 0.000 2.097 17 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 17 E C 2.331 178.933 176.600 0.003 0.000 1.000 17 E CA 1.324 57.726 56.400 0.004 0.000 0.804 17 E CB 0.035 29.738 29.700 0.006 0.000 0.740 17 E HN 0.363 nan 8.360 nan 0.000 0.454 18 R N -0.333 120.169 120.500 0.003 0.000 2.083 18 R HA -0.132 4.207 4.340 -0.000 0.000 0.237 18 R C 2.528 178.828 176.300 0.000 0.000 1.137 18 R CA 1.339 57.441 56.100 0.002 0.000 0.951 18 R CB -0.578 29.724 30.300 0.003 0.000 0.851 18 R HN 0.319 nan 8.270 nan 0.000 0.434 19 G N 0.341 109.141 108.800 -0.000 0.000 2.433 19 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 19 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 19 G C 1.473 176.372 174.900 -0.002 0.000 1.186 19 G CA 0.893 45.992 45.100 -0.002 0.000 0.779 19 G HN 0.144 nan 8.290 nan 0.000 0.543 20 V N 1.732 121.646 119.914 0.000 0.000 2.313 20 V HA -0.292 3.828 4.120 -0.000 0.000 0.253 20 V C 2.687 178.781 176.094 0.001 0.000 1.070 20 V CA 2.142 64.443 62.300 0.001 0.000 1.057 20 V CB -0.473 31.351 31.823 0.002 0.000 0.653 20 V HN 0.379 nan 8.190 nan 0.000 0.450 21 N N -0.062 118.639 118.700 0.001 0.000 2.216 21 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 21 N C 1.958 177.467 175.510 -0.001 0.000 1.017 21 N CA 1.496 54.546 53.050 0.001 0.000 0.861 21 N CB -0.379 38.109 38.487 0.002 0.000 0.986 21 N HN 0.505 nan 8.380 nan 0.000 0.428 22 A N 1.204 124.023 122.820 -0.002 0.000 1.873 22 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 22 A C 2.537 180.119 177.584 -0.004 0.000 1.193 22 A CA 1.748 53.782 52.037 -0.004 0.000 0.629 22 A CB -0.929 18.067 19.000 -0.007 0.000 0.826 22 A HN 0.097 nan 8.150 nan 0.000 0.447 23 V N -0.323 119.589 119.914 -0.004 0.000 2.221 23 V HA -0.209 3.911 4.120 -0.000 0.000 0.242 23 V C 3.077 179.170 176.094 -0.002 0.000 1.041 23 V CA 2.052 64.350 62.300 -0.003 0.000 0.995 23 V CB -1.552 30.269 31.823 -0.003 0.000 0.635 23 V HN 0.656 nan 8.190 nan 0.000 0.448 24 A N 0.691 123.511 122.820 -0.000 0.000 1.915 24 A HA -0.335 3.985 4.320 -0.000 0.000 0.220 24 A C 2.016 179.601 177.584 0.002 0.000 1.198 24 A CA 2.563 54.601 52.037 0.001 0.000 0.647 24 A CB -0.916 18.085 19.000 0.002 0.000 0.825 24 A HN 0.656 nan 8.150 nan 0.000 0.456 25 N N -0.128 118.572 118.700 0.001 0.000 2.244 25 N HA -0.047 4.693 4.740 -0.000 0.000 0.183 25 N C 1.817 177.328 175.510 0.001 0.000 1.016 25 N CA 1.407 54.458 53.050 0.001 0.000 0.866 25 N CB -0.460 38.028 38.487 0.001 0.000 0.980 25 N HN 0.541 nan 8.380 nan 0.000 0.430 26 A N 0.507 123.326 122.820 -0.001 0.000 1.930 26 A HA 0.024 4.344 4.320 -0.000 0.000 0.215 26 A C 2.476 180.059 177.584 -0.001 0.000 1.176 26 A CA 0.768 52.803 52.037 -0.002 0.000 0.632 26 A CB -0.440 18.557 19.000 -0.004 0.000 0.819 26 A HN 0.073 nan 8.150 nan 0.000 0.445 27 V N 1.470 121.384 119.914 -0.001 0.000 2.323 27 V HA -0.250 3.870 4.120 -0.000 0.000 0.244 27 V C 2.502 178.597 176.094 0.002 0.000 1.041 27 V CA 2.205 64.505 62.300 0.000 0.000 1.025 27 V CB -0.750 31.073 31.823 0.000 0.000 0.656 27 V HN 0.830 nan 8.190 nan 0.000 0.451 28 K N 1.662 122.063 120.400 0.003 0.000 2.280 28 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 28 K C 1.750 178.354 176.600 0.007 0.000 1.047 28 K CA 1.711 58.001 56.287 0.005 0.000 0.942 28 K CB -0.802 31.701 32.500 0.006 0.000 0.739 28 K HN 0.508 nan 8.250 nan 0.000 0.457 29 V N -0.078 119.840 119.914 0.006 0.000 3.383 29 V HA -0.081 4.039 4.120 -0.000 0.000 0.272 29 V C 1.786 177.885 176.094 0.008 0.000 1.181 29 V CA 1.550 63.855 62.300 0.009 0.000 1.171 29 V CB -0.994 30.833 31.823 0.007 0.000 0.800 29 V HN 0.577 nan 8.190 nan 0.000 0.515 30 T N -2.938 111.619 114.554 0.004 0.000 2.985 30 T HA 0.316 4.666 4.350 -0.000 0.000 0.254 30 T C 0.512 175.213 174.700 0.001 0.000 1.021 30 T CA -0.123 61.978 62.100 0.002 0.000 0.957 30 T CB -0.039 68.829 68.868 -0.000 0.000 1.047 30 T HN 0.365 nan 8.240 nan 0.000 0.511 31 L N 2.894 124.118 121.223 0.002 0.000 2.525 31 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 31 L C 0.883 177.750 176.870 -0.006 0.000 1.218 31 L CA 2.013 56.852 54.840 -0.001 0.000 0.878 31 L CB -0.563 41.496 42.059 0.001 0.000 1.127 31 L HN 0.770 nan 8.230 nan 0.000 0.492 32 G N 3.627 112.418 108.800 -0.014 0.000 2.756 32 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.678 32 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.678 32 G C -1.820 173.061 174.900 -0.033 0.000 1.349 32 G CA -0.440 44.643 45.100 -0.028 0.000 0.847 32 G HN 0.546 nan 8.290 nan 0.000 0.548 33 P HA -0.025 nan 4.420 nan 0.000 0.220 33 P C 1.124 178.400 177.300 -0.040 0.000 1.144 33 P CA 1.142 64.206 63.100 -0.060 0.000 0.800 33 P CB 0.102 31.740 31.700 -0.103 0.000 0.772 34 R N -0.949 119.535 120.500 -0.026 0.000 2.698 34 R HA 0.306 4.645 4.340 -0.000 0.000 0.422 34 R C 0.647 176.953 176.300 0.009 0.000 1.073 34 R CA -0.335 55.763 56.100 -0.003 0.000 1.054 34 R CB -0.066 30.243 30.300 0.016 0.000 1.373 34 R HN 0.046 nan 8.270 nan 0.000 0.593 35 G N 1.371 110.172 108.800 0.002 0.000 2.568 35 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.231 35 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.231 35 G C 0.286 175.191 174.900 0.009 0.000 1.261 35 G CA -0.247 44.857 45.100 0.006 0.000 0.855 35 G HN 0.088 nan 8.290 nan 0.000 0.576 36 R N 0.293 120.799 120.500 0.010 0.000 2.549 36 R HA 0.175 4.515 4.340 -0.000 0.000 0.259 36 R C 0.258 176.560 176.300 0.003 0.000 1.095 36 R CA -0.636 55.470 56.100 0.010 0.000 1.148 36 R CB 0.343 30.651 30.300 0.012 0.000 1.181 36 R HN 0.680 nan 8.270 nan 0.000 0.571 37 N N -0.577 118.124 118.700 0.001 0.000 2.499 37 N HA 0.226 4.966 4.740 -0.000 0.000 0.281 37 N C -0.926 174.581 175.510 -0.004 0.000 1.098 37 N CA -0.349 52.699 53.050 -0.003 0.000 0.979 37 N CB 1.264 39.748 38.487 -0.004 0.000 1.121 37 N HN 0.057 nan 8.380 nan 0.000 0.466 38 V N 2.694 122.604 119.914 -0.007 0.000 2.495 38 V HA 0.298 4.418 4.120 -0.000 0.000 0.298 38 V C -0.127 175.961 176.094 -0.009 0.000 1.031 38 V CA -0.794 61.502 62.300 -0.007 0.000 0.871 38 V CB 1.858 33.677 31.823 -0.007 0.000 0.988 38 V HN 0.323 nan 8.190 nan 0.000 0.432 39 V N 6.465 126.374 119.914 -0.009 0.000 2.407 39 V HA 0.493 4.613 4.120 -0.000 0.000 0.278 39 V C -0.486 175.601 176.094 -0.011 0.000 1.037 39 V CA -0.413 61.881 62.300 -0.010 0.000 0.900 39 V CB 1.388 33.205 31.823 -0.010 0.000 0.983 39 V HN 0.582 nan 8.190 nan 0.000 0.459 40 L N 5.022 126.238 121.223 -0.012 0.000 2.356 40 L HA 0.522 4.862 4.340 -0.000 0.000 0.277 40 L C -0.012 176.852 176.870 -0.010 0.000 0.996 40 L CA -0.346 54.487 54.840 -0.011 0.000 0.822 40 L CB 1.890 43.942 42.059 -0.012 0.000 1.256 40 L HN 0.818 nan 8.230 nan 0.000 0.413 41 E N 3.161 123.354 120.200 -0.011 0.000 2.216 41 E HA 0.485 4.835 4.350 -0.000 0.000 0.279 41 E C -1.042 175.555 176.600 -0.005 0.000 0.997 41 E CA -0.965 55.428 56.400 -0.011 0.000 0.817 41 E CB 1.353 31.041 29.700 -0.019 0.000 1.096 41 E HN 0.183 nan 8.360 nan 0.000 0.393 42 K N 3.346 123.750 120.400 0.007 0.000 2.156 42 K HA 0.184 4.504 4.320 -0.000 0.000 0.271 42 K C 0.542 177.155 176.600 0.022 0.000 0.995 42 K CA -0.575 55.732 56.287 0.034 0.000 0.890 42 K CB 1.417 33.952 32.500 0.058 0.000 1.073 42 K HN 0.566 nan 8.250 nan 0.000 0.454 43 K N 1.148 121.561 120.400 0.022 0.000 2.059 43 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 43 K C 1.414 177.832 176.600 -0.303 0.000 1.050 43 K CA 1.922 58.116 56.287 -0.155 0.000 0.927 43 K CB -0.130 32.248 32.500 -0.202 0.000 0.714 43 K HN 0.355 nan 8.250 nan 0.000 0.447 44 F N 0.058 119.999 119.950 -0.016 0.000 2.387 44 F HA 0.179 4.706 4.527 -0.000 0.000 0.278 44 F C 1.801 177.593 175.800 -0.014 0.000 1.010 44 F CA -0.008 57.984 58.000 -0.013 0.000 1.236 44 F CB -1.096 37.896 39.000 -0.013 0.000 1.137 44 F HN -0.057 nan 8.300 nan 0.000 0.604 45 G N 0.514 109.438 108.800 0.206 0.000 2.699 45 G HA2 0.315 4.275 3.960 -0.000 0.000 0.246 45 G HA3 0.315 4.275 3.960 -0.000 0.000 0.246 45 G C 0.217 175.148 174.900 0.052 0.000 1.219 45 G CA 0.011 45.170 45.100 0.098 0.000 0.866 45 G HN 0.366 nan 8.290 nan 0.000 0.572 46 S N 0.956 116.674 115.700 0.030 0.000 2.626 46 S HA 0.425 4.895 4.470 -0.000 0.000 0.257 46 S C -1.891 172.713 174.600 0.007 0.000 1.288 46 S CA -0.821 57.386 58.200 0.012 0.000 0.980 46 S CB 0.963 64.167 63.200 0.007 0.000 0.975 46 S HN 0.623 nan 8.310 nan 0.000 0.577 47 P HA 0.250 nan 4.420 nan 0.000 0.270 47 P C -0.642 176.654 177.300 -0.005 0.000 1.223 47 P CA -0.141 62.956 63.100 -0.005 0.000 0.785 47 P CB 0.276 31.971 31.700 -0.008 0.000 0.923 48 T N 1.321 115.870 114.554 -0.008 0.000 2.908 48 T HA 0.674 5.023 4.350 -0.000 0.000 0.290 48 T C 0.107 174.798 174.700 -0.014 0.000 1.034 48 T CA -0.519 61.574 62.100 -0.012 0.000 1.010 48 T CB 0.897 69.757 68.868 -0.013 0.000 1.068 48 T HN 0.443 nan 8.240 nan 0.000 0.481 49 I N -0.686 119.874 120.570 -0.017 0.000 2.545 49 I HA 0.832 5.002 4.170 -0.000 0.000 0.292 49 I C -0.628 175.477 176.117 -0.021 0.000 1.040 49 I CA -0.557 60.734 61.300 -0.016 0.000 1.068 49 I CB 2.359 40.350 38.000 -0.014 0.000 1.251 49 I HN 0.494 nan 8.210 nan 0.000 0.424 50 T N 3.672 118.214 114.554 -0.019 0.000 2.693 50 T HA 0.570 4.920 4.350 -0.000 0.000 0.278 50 T C 0.057 174.746 174.700 -0.018 0.000 0.994 50 T CA -0.785 61.301 62.100 -0.023 0.000 1.033 50 T CB 1.952 70.805 68.868 -0.024 0.000 1.342 50 T HN 0.736 nan 8.240 nan 0.000 0.538 51 K N -0.095 120.294 120.400 -0.018 0.000 2.612 51 K HA 0.141 4.461 4.320 -0.000 0.000 0.177 51 K C -1.089 175.505 176.600 -0.010 0.000 1.333 51 K CA -0.179 56.101 56.287 -0.012 0.000 1.120 51 K CB 0.789 33.282 32.500 -0.012 0.000 1.121 51 K HN 0.498 nan 8.250 nan 0.000 0.556 52 D N 0.139 120.530 120.400 -0.014 0.000 2.349 52 D HA 0.167 4.807 4.640 -0.000 0.000 0.232 52 D C 0.907 177.204 176.300 -0.005 0.000 1.071 52 D CA -0.109 53.886 54.000 -0.008 0.000 0.832 52 D CB 1.781 42.570 40.800 -0.020 0.000 1.086 52 D HN 0.209 nan 8.370 nan 0.000 0.504 53 G N 2.794 111.595 108.800 0.002 0.000 2.446 53 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 53 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 53 G C 1.567 176.468 174.900 0.002 0.000 1.168 53 G CA 1.102 46.203 45.100 0.002 0.000 0.771 53 G HN 0.492 nan 8.290 nan 0.000 0.551 54 V N 0.895 120.813 119.914 0.007 0.000 2.392 54 V HA -0.191 3.928 4.120 -0.000 0.000 0.249 54 V C 3.043 179.137 176.094 0.001 0.000 1.059 54 V CA 2.306 64.611 62.300 0.008 0.000 1.051 54 V CB -1.287 30.547 31.823 0.018 0.000 0.658 54 V HN 0.368 nan 8.190 nan 0.000 0.455 55 T N 0.489 115.040 114.554 -0.005 0.000 2.708 55 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 55 T C 1.992 176.685 174.700 -0.012 0.000 1.037 55 T CA 1.815 63.907 62.100 -0.014 0.000 1.146 55 T CB -0.289 68.564 68.868 -0.026 0.000 0.865 55 T HN 0.319 nan 8.240 nan 0.000 0.435 56 V N 1.832 121.740 119.914 -0.010 0.000 2.307 56 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 56 V C 2.938 179.028 176.094 -0.007 0.000 1.045 56 V CA 1.611 63.906 62.300 -0.009 0.000 1.024 56 V CB -1.358 30.461 31.823 -0.007 0.000 0.651 56 V HN 0.528 nan 8.190 nan 0.000 0.449 57 A N -0.120 122.698 122.820 -0.004 0.000 1.927 57 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 57 A C 2.290 179.872 177.584 -0.004 0.000 1.185 57 A CA 2.381 54.416 52.037 -0.003 0.000 0.639 57 A CB -0.558 18.442 19.000 -0.000 0.000 0.820 57 A HN 0.563 nan 8.150 nan 0.000 0.451 58 K N -0.666 119.731 120.400 -0.004 0.000 2.103 58 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 58 K C 1.505 178.100 176.600 -0.008 0.000 1.048 58 K CA 1.353 57.637 56.287 -0.005 0.000 0.930 58 K CB -0.103 32.394 32.500 -0.005 0.000 0.716 58 K HN 0.396 nan 8.250 nan 0.000 0.444 59 E N 0.536 120.730 120.200 -0.010 0.000 2.502 59 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 59 E C -0.147 176.446 176.600 -0.013 0.000 1.062 59 E CA 0.251 56.644 56.400 -0.011 0.000 0.867 59 E CB 0.213 29.906 29.700 -0.011 0.000 0.888 59 E HN -0.024 nan 8.360 nan 0.000 0.510 60 V N 2.122 122.029 119.914 -0.012 0.000 2.372 60 V HA 0.145 4.265 4.120 -0.000 0.000 0.261 60 V C 0.115 176.199 176.094 -0.016 0.000 1.055 60 V CA -0.081 62.211 62.300 -0.013 0.000 0.930 60 V CB 0.625 32.442 31.823 -0.011 0.000 1.031 60 V HN 0.026 nan 8.190 nan 0.000 0.479 61 E N 5.139 125.326 120.200 -0.022 0.000 2.274 61 E HA 0.513 4.863 4.350 -0.000 0.000 0.269 61 E C -1.319 175.258 176.600 -0.038 0.000 0.891 61 E CA -0.676 55.707 56.400 -0.030 0.000 0.784 61 E CB 1.471 31.152 29.700 -0.031 0.000 1.225 61 E HN 0.600 nan 8.360 nan 0.000 0.412 62 L N 3.703 124.899 121.223 -0.044 0.000 2.357 62 L HA 0.345 4.685 4.340 -0.000 0.000 0.273 62 L C 1.431 178.253 176.870 -0.079 0.000 1.080 62 L CA -0.527 54.283 54.840 -0.050 0.000 0.803 62 L CB 1.016 43.053 42.059 -0.038 0.000 1.174 62 L HN 0.704 nan 8.230 nan 0.000 0.443 63 E N 0.324 120.482 120.200 -0.071 0.000 2.051 63 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 63 E C 0.373 176.899 176.600 -0.123 0.000 0.991 63 E CA 0.866 57.212 56.400 -0.091 0.000 0.799 63 E CB 0.105 29.771 29.700 -0.056 0.000 0.748 63 E HN 0.609 nan 8.360 nan 0.000 0.449 64 D N 0.068 120.424 120.400 -0.074 0.000 2.401 64 D HA -0.073 4.567 4.640 -0.000 0.000 0.254 64 D C 0.899 177.167 176.300 -0.053 0.000 1.192 64 D CA 0.163 54.137 54.000 -0.044 0.000 0.885 64 D CB 0.648 41.445 40.800 -0.006 0.000 1.147 64 D HN 0.176 nan 8.370 nan 0.000 0.478 65 H N 3.925 122.991 119.070 -0.008 0.000 2.265 65 H HA -0.170 4.386 4.556 -0.000 0.000 0.295 65 H C 2.002 177.322 175.328 -0.013 0.000 1.084 65 H CA 1.326 57.368 56.048 -0.010 0.000 1.261 65 H CB 0.138 29.893 29.762 -0.011 0.000 1.360 65 H HN 0.505 nan 8.280 nan 0.000 0.487 66 L N 0.670 121.965 121.223 0.121 0.000 1.989 66 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 66 L C 2.591 179.478 176.870 0.028 0.000 1.071 66 L CA 1.495 56.366 54.840 0.053 0.000 0.749 66 L CB -0.505 41.572 42.059 0.029 0.000 0.890 66 L HN 0.340 nan 8.230 nan 0.000 0.431 67 E N -0.087 120.124 120.200 0.018 0.000 2.085 67 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 67 E C 1.871 178.470 176.600 -0.001 0.000 0.994 67 E CA 1.491 57.894 56.400 0.005 0.000 0.801 67 E CB -0.274 29.426 29.700 -0.001 0.000 0.743 67 E HN 0.436 nan 8.360 nan 0.000 0.453 68 N N 1.241 119.936 118.700 -0.007 0.000 2.084 68 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 68 N C 1.773 177.284 175.510 0.003 0.000 1.030 68 N CA 0.987 54.028 53.050 -0.015 0.000 0.849 68 N CB -0.126 38.334 38.487 -0.045 0.000 1.012 68 N HN 0.082 nan 8.380 nan 0.000 0.423 69 I N -0.166 120.415 120.570 0.020 0.000 2.185 69 I HA -0.277 3.893 4.170 -0.000 0.000 0.246 69 I C 2.277 178.399 176.117 0.009 0.000 1.088 69 I CA 1.514 62.826 61.300 0.021 0.000 1.347 69 I CB -0.807 37.208 38.000 0.024 0.000 1.041 69 I HN 0.320 nan 8.210 nan 0.000 0.415 70 G N 0.231 109.034 108.800 0.005 0.000 2.404 70 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.215 70 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.215 70 G C 1.880 176.781 174.900 0.001 0.000 1.174 70 G CA 0.782 45.883 45.100 0.002 0.000 0.780 70 G HN 0.499 nan 8.290 nan 0.000 0.537 71 A N 0.189 123.008 122.820 -0.001 0.000 1.883 71 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 71 A C 2.435 180.019 177.584 -0.001 0.000 1.186 71 A CA 2.144 54.179 52.037 -0.003 0.000 0.624 71 A CB -0.438 18.558 19.000 -0.007 0.000 0.822 71 A HN 0.317 nan 8.150 nan 0.000 0.444 72 Q N -0.858 118.942 119.800 0.001 0.000 2.050 72 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 72 Q C 2.106 178.108 176.000 0.004 0.000 0.980 72 Q CA 1.296 57.101 55.803 0.003 0.000 0.840 72 Q CB -0.904 27.838 28.738 0.007 0.000 0.898 72 Q HN 0.540 nan 8.270 nan 0.000 0.424 73 L N 0.529 121.754 121.223 0.004 0.000 2.043 73 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 73 L C 2.226 179.097 176.870 0.002 0.000 1.075 73 L CA 1.304 56.146 54.840 0.003 0.000 0.752 73 L CB -0.772 41.288 42.059 0.002 0.000 0.891 73 L HN 0.246 nan 8.230 nan 0.000 0.432 74 L N -0.798 120.426 121.223 0.002 0.000 2.005 74 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 74 L C 2.464 179.335 176.870 0.002 0.000 1.072 74 L CA 1.745 56.586 54.840 0.002 0.000 0.744 74 L CB -0.663 41.397 42.059 0.001 0.000 0.895 74 L HN 0.147 nan 8.230 nan 0.000 0.433 75 K N -0.396 120.004 120.400 0.002 0.000 2.059 75 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 75 K C 1.999 178.601 176.600 0.003 0.000 1.050 75 K CA 1.810 58.098 56.287 0.002 0.000 0.927 75 K CB -0.363 32.138 32.500 0.001 0.000 0.714 75 K HN 0.413 nan 8.250 nan 0.000 0.447 76 E N 0.599 120.801 120.200 0.003 0.000 2.007 76 E HA -0.196 4.154 4.350 -0.000 0.000 0.203 76 E C 2.208 178.809 176.600 0.002 0.000 1.020 76 E CA 1.361 57.763 56.400 0.003 0.000 0.845 76 E CB -0.673 29.030 29.700 0.004 0.000 0.779 76 E HN 0.045 nan 8.360 nan 0.000 0.466 77 V N 1.808 121.723 119.914 0.002 0.000 2.439 77 V HA -0.308 3.812 4.120 -0.000 0.000 0.253 77 V C 2.430 178.525 176.094 0.001 0.000 1.074 77 V CA 2.008 64.309 62.300 0.001 0.000 1.076 77 V CB -1.013 30.811 31.823 0.001 0.000 0.664 77 V HN 0.318 nan 8.190 nan 0.000 0.461 78 A N 0.746 123.567 122.820 0.002 0.000 1.898 78 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 78 A C 2.564 180.149 177.584 0.002 0.000 1.181 78 A CA 2.160 54.198 52.037 0.002 0.000 0.620 78 A CB -0.769 18.232 19.000 0.002 0.000 0.819 78 A HN 0.697 nan 8.150 nan 0.000 0.442 79 S N 1.079 116.780 115.700 0.002 0.000 2.402 79 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 79 S C 1.574 176.173 174.600 -0.001 0.000 1.021 79 S CA 1.291 59.492 58.200 0.002 0.000 0.974 79 S CB -0.633 62.568 63.200 0.002 0.000 0.800 79 S HN 0.730 nan 8.310 nan 0.000 0.484 80 K N 1.009 121.408 120.400 -0.001 0.000 2.773 80 K HA 0.117 4.437 4.320 -0.000 0.000 0.222 80 K C 0.566 177.164 176.600 -0.002 0.000 0.985 80 K CA 0.873 57.159 56.287 -0.002 0.000 1.126 80 K CB -0.490 32.009 32.500 -0.001 0.000 0.919 80 K HN 0.302 nan 8.250 nan 0.000 0.487 81 T N -0.324 114.228 114.554 -0.002 0.000 3.058 81 T HA -0.017 4.333 4.350 -0.000 0.000 0.247 81 T C 1.391 176.089 174.700 -0.004 0.000 0.987 81 T CA -0.115 61.984 62.100 -0.002 0.000 1.062 81 T CB -0.077 68.791 68.868 -0.001 0.000 1.048 81 T HN 0.325 nan 8.240 nan 0.000 0.468 82 N N 1.674 120.372 118.700 -0.003 0.000 2.331 82 N HA -0.106 4.634 4.740 -0.000 0.000 0.180 82 N C 0.770 176.275 175.510 -0.009 0.000 1.019 82 N CA 1.000 54.047 53.050 -0.005 0.000 0.881 82 N CB -0.089 38.398 38.487 0.001 0.000 0.972 82 N HN 0.214 nan 8.380 nan 0.000 0.435 83 D N -0.554 119.841 120.400 -0.009 0.000 2.310 83 D HA -0.021 4.619 4.640 -0.000 0.000 0.212 83 D C 1.253 177.545 176.300 -0.014 0.000 0.965 83 D CA 0.556 54.548 54.000 -0.014 0.000 0.879 83 D CB 0.402 41.194 40.800 -0.014 0.000 0.921 83 D HN 0.140 nan 8.370 nan 0.000 0.510 84 V N -1.058 118.850 119.914 -0.011 0.000 3.398 84 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 84 V C 1.013 177.101 176.094 -0.010 0.000 1.496 84 V CA 0.486 62.781 62.300 -0.009 0.000 1.044 84 V CB 0.892 32.712 31.823 -0.004 0.000 0.880 84 V HN 0.166 nan 8.190 nan 0.000 0.443 85 A N -0.633 122.180 122.820 -0.012 0.000 2.732 85 A HA 0.543 4.863 4.320 -0.000 0.000 0.201 85 A C 1.534 179.108 177.584 -0.017 0.000 1.390 85 A CA 0.678 52.707 52.037 -0.013 0.000 1.064 85 A CB 0.249 19.244 19.000 -0.009 0.000 1.348 85 A HN 1.283 nan 8.150 nan 0.000 0.565 86 G N -0.193 108.596 108.800 -0.018 0.000 2.225 86 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.267 86 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.267 86 G C -0.203 174.685 174.900 -0.019 0.000 1.024 86 G CA 1.230 46.316 45.100 -0.022 0.000 0.784 86 G HN 1.145 nan 8.290 nan 0.000 0.507 87 D N -3.382 117.011 120.400 -0.011 0.000 2.913 87 D HA 0.540 5.180 4.640 -0.000 0.000 0.293 87 D C 0.824 177.122 176.300 -0.004 0.000 1.238 87 D CA 1.379 55.375 54.000 -0.007 0.000 0.738 87 D CB -0.324 40.469 40.800 -0.012 0.000 1.254 87 D HN 1.484 nan 8.370 nan 0.000 0.429 88 G N -0.043 108.756 108.800 -0.002 0.000 2.147 88 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 88 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 88 G C 0.975 175.875 174.900 0.001 0.000 1.005 88 G CA 1.258 46.357 45.100 -0.001 0.000 0.713 88 G HN 0.636 nan 8.290 nan 0.000 0.515 89 T N -0.905 113.651 114.554 0.003 0.000 2.896 89 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 89 T C 2.558 177.260 174.700 0.003 0.000 1.050 89 T CA 2.615 64.717 62.100 0.003 0.000 1.140 89 T CB -0.188 68.683 68.868 0.005 0.000 0.877 89 T HN 0.357 nan 8.240 nan 0.000 0.457 90 T N 1.018 115.574 114.554 0.004 0.000 2.777 90 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 90 T C 2.101 176.802 174.700 0.002 0.000 1.040 90 T CA 1.739 63.840 62.100 0.003 0.000 1.141 90 T CB -0.717 68.153 68.868 0.003 0.000 0.868 90 T HN 0.374 nan 8.240 nan 0.000 0.444 91 T N 1.860 116.415 114.554 0.001 0.000 2.759 91 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 91 T C 2.267 176.968 174.700 0.002 0.000 1.042 91 T CA 1.227 63.328 62.100 0.001 0.000 1.140 91 T CB -0.456 68.411 68.868 -0.000 0.000 0.864 91 T HN 0.420 nan 8.240 nan 0.000 0.455 92 A N 0.876 123.697 122.820 0.002 0.000 1.969 92 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 92 A C 2.526 180.111 177.584 0.003 0.000 1.169 92 A CA 1.989 54.027 52.037 0.002 0.000 0.635 92 A CB -1.036 17.965 19.000 0.002 0.000 0.810 92 A HN 0.487 nan 8.150 nan 0.000 0.445 93 T N -0.385 114.171 114.554 0.003 0.000 2.708 93 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 93 T C 1.894 176.596 174.700 0.003 0.000 1.037 93 T CA 1.503 63.605 62.100 0.003 0.000 1.146 93 T CB -0.500 68.369 68.868 0.002 0.000 0.865 93 T HN 0.138 nan 8.240 nan 0.000 0.435 94 V N 1.807 121.723 119.914 0.004 0.000 2.231 94 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 94 V C 2.563 178.660 176.094 0.005 0.000 1.054 94 V CA 1.738 64.041 62.300 0.004 0.000 1.015 94 V CB -0.797 31.029 31.823 0.005 0.000 0.638 94 V HN 0.441 nan 8.190 nan 0.000 0.444 95 L N -0.039 121.187 121.223 0.005 0.000 2.043 95 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 95 L C 2.688 179.561 176.870 0.005 0.000 1.075 95 L CA 1.800 56.644 54.840 0.005 0.000 0.752 95 L CB -0.901 41.161 42.059 0.005 0.000 0.891 95 L HN 0.410 nan 8.230 nan 0.000 0.432 96 A N -0.699 122.124 122.820 0.004 0.000 1.902 96 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 96 A C 2.279 179.865 177.584 0.004 0.000 1.181 96 A CA 1.774 53.814 52.037 0.004 0.000 0.623 96 A CB -0.566 18.436 19.000 0.003 0.000 0.818 96 A HN 0.493 nan 8.150 nan 0.000 0.443 97 Q N -0.449 119.353 119.800 0.004 0.000 2.014 97 Q HA -0.206 4.134 4.340 -0.000 0.000 0.207 97 Q C 2.283 178.286 176.000 0.005 0.000 0.993 97 Q CA 1.997 57.802 55.803 0.004 0.000 0.850 97 Q CB -0.407 28.334 28.738 0.004 0.000 0.916 97 Q HN 0.600 nan 8.270 nan 0.000 0.417 98 A N 1.076 123.899 122.820 0.006 0.000 1.849 98 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 98 A C 2.046 179.634 177.584 0.006 0.000 1.202 98 A CA 1.946 53.987 52.037 0.006 0.000 0.629 98 A CB -1.118 17.886 19.000 0.007 0.000 0.834 98 A HN 0.546 nan 8.150 nan 0.000 0.447 99 I N -0.293 120.281 120.570 0.006 0.000 2.185 99 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 99 I C 2.357 178.478 176.117 0.006 0.000 1.088 99 I CA 1.609 62.913 61.300 0.006 0.000 1.347 99 I CB -0.552 37.451 38.000 0.006 0.000 1.041 99 I HN 0.193 nan 8.210 nan 0.000 0.415 100 V N 0.541 120.458 119.914 0.005 0.000 2.343 100 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 100 V C 2.598 178.696 176.094 0.006 0.000 1.051 100 V CA 1.818 64.121 62.300 0.006 0.000 1.036 100 V CB -0.784 31.042 31.823 0.005 0.000 0.654 100 V HN 0.385 nan 8.190 nan 0.000 0.451 101 R N 0.093 120.596 120.500 0.006 0.000 2.109 101 R HA -0.169 4.171 4.340 -0.000 0.000 0.227 101 R C 2.483 178.787 176.300 0.007 0.000 1.132 101 R CA 1.898 58.002 56.100 0.006 0.000 0.907 101 R CB -0.333 29.971 30.300 0.006 0.000 0.825 101 R HN 0.441 nan 8.270 nan 0.000 0.432 102 E N -0.346 119.858 120.200 0.007 0.000 2.147 102 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 102 E C 1.878 178.482 176.600 0.007 0.000 1.005 102 E CA 1.474 57.878 56.400 0.007 0.000 0.810 102 E CB -0.664 29.040 29.700 0.007 0.000 0.736 102 E HN 0.637 nan 8.360 nan 0.000 0.460 103 G N 1.344 110.148 108.800 0.007 0.000 2.459 103 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 103 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 103 G C 1.743 176.647 174.900 0.008 0.000 1.183 103 G CA 0.755 45.859 45.100 0.007 0.000 0.776 103 G HN 0.212 nan 8.290 nan 0.000 0.552 104 L N 0.206 121.434 121.223 0.008 0.000 2.141 104 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 104 L C 2.786 179.662 176.870 0.009 0.000 1.094 104 L CA 1.331 56.177 54.840 0.009 0.000 0.763 104 L CB -0.337 41.728 42.059 0.009 0.000 0.908 104 L HN 0.277 nan 8.230 nan 0.000 0.437 105 K N 0.572 120.977 120.400 0.008 0.000 1.985 105 K HA -0.189 4.130 4.320 -0.000 0.000 0.210 105 K C 1.911 178.516 176.600 0.008 0.000 1.047 105 K CA 1.622 57.914 56.287 0.008 0.000 0.932 105 K CB -0.061 32.443 32.500 0.007 0.000 0.716 105 K HN 0.276 nan 8.250 nan 0.000 0.439 106 N N 0.455 119.159 118.700 0.007 0.000 2.272 106 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 106 N C 1.753 177.268 175.510 0.008 0.000 1.014 106 N CA 1.206 54.261 53.050 0.007 0.000 0.870 106 N CB 0.014 38.505 38.487 0.007 0.000 0.975 106 N HN 0.071 nan 8.380 nan 0.000 0.433 107 V N 1.308 121.227 119.914 0.009 0.000 2.548 107 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 107 V C 2.270 178.370 176.094 0.010 0.000 1.055 107 V CA 1.487 63.793 62.300 0.010 0.000 1.065 107 V CB -0.528 31.302 31.823 0.012 0.000 0.681 107 V HN 0.261 nan 8.190 nan 0.000 0.462 108 A N -0.343 122.483 122.820 0.010 0.000 2.119 108 A HA 0.270 4.590 4.320 -0.000 0.000 0.216 108 A C 2.066 179.655 177.584 0.008 0.000 1.152 108 A CA 1.169 53.212 52.037 0.010 0.000 0.708 108 A CB -0.265 18.741 19.000 0.010 0.000 0.805 108 A HN 0.525 nan 8.150 nan 0.000 0.460 109 A N -1.768 121.057 122.820 0.008 0.000 2.345 109 A HA 0.462 4.782 4.320 -0.000 0.000 0.225 109 A C 1.523 179.111 177.584 0.006 0.000 1.243 109 A CA 0.966 53.007 52.037 0.006 0.000 0.875 109 A CB -0.649 18.354 19.000 0.006 0.000 0.929 109 A HN 1.682 nan 8.150 nan 0.000 0.502 110 G N -1.878 106.926 108.800 0.007 0.000 2.176 110 G HA2 0.128 4.088 3.960 -0.000 0.000 0.232 110 G HA3 0.128 4.088 3.960 -0.000 0.000 0.232 110 G C 0.444 175.348 174.900 0.007 0.000 0.986 110 G CA 0.093 45.197 45.100 0.007 0.000 0.643 110 G HN 1.529 nan 8.290 nan 0.000 0.522 111 A N -0.097 122.728 122.820 0.007 0.000 2.407 111 A HA 0.596 4.916 4.320 -0.000 0.000 0.248 111 A C 0.465 178.054 177.584 0.008 0.000 1.082 111 A CA 0.532 52.573 52.037 0.007 0.000 0.785 111 A CB 0.297 19.301 19.000 0.007 0.000 1.020 111 A HN 0.932 nan 8.150 nan 0.000 0.489 112 N N 2.032 120.736 118.700 0.007 0.000 2.430 112 N HA 0.290 5.029 4.740 -0.000 0.000 0.265 112 N C -1.938 173.577 175.510 0.008 0.000 1.100 112 N CA -1.738 51.316 53.050 0.008 0.000 0.961 112 N CB 0.973 39.464 38.487 0.007 0.000 1.075 112 N HN 0.187 nan 8.380 nan 0.000 0.478 113 P HA -0.194 nan 4.420 nan 0.000 0.213 113 P C 1.342 178.647 177.300 0.008 0.000 1.170 113 P CA 1.401 64.507 63.100 0.010 0.000 0.902 113 P CB 0.146 31.853 31.700 0.012 0.000 0.789 114 L N -1.101 120.127 121.223 0.008 0.000 2.043 114 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 114 L C 2.506 179.380 176.870 0.006 0.000 1.075 114 L CA 1.982 56.826 54.840 0.007 0.000 0.752 114 L CB -1.511 40.553 42.059 0.007 0.000 0.891 114 L HN -0.018 nan 8.230 nan 0.000 0.432 115 A N 0.153 122.977 122.820 0.006 0.000 1.933 115 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 115 A C 2.296 179.883 177.584 0.006 0.000 1.175 115 A CA 1.365 53.406 52.037 0.005 0.000 0.628 115 A CB -0.637 18.366 19.000 0.005 0.000 0.814 115 A HN 0.361 nan 8.150 nan 0.000 0.444 116 L N -0.710 120.516 121.223 0.006 0.000 2.046 116 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 116 L C 2.631 179.504 176.870 0.006 0.000 1.077 116 L CA 2.027 56.870 54.840 0.006 0.000 0.747 116 L CB -0.455 41.608 42.059 0.007 0.000 0.896 116 L HN 0.498 nan 8.230 nan 0.000 0.432 117 K N 0.589 120.993 120.400 0.006 0.000 1.978 117 K HA -0.219 4.101 4.320 -0.000 0.000 0.214 117 K C 2.235 178.838 176.600 0.005 0.000 1.049 117 K CA 1.612 57.902 56.287 0.005 0.000 0.939 117 K CB -0.088 32.415 32.500 0.005 0.000 0.721 117 K HN 0.105 nan 8.250 nan 0.000 0.441 118 R N -0.441 120.062 120.500 0.004 0.000 2.165 118 R HA -0.196 4.144 4.340 -0.000 0.000 0.254 118 R C 2.453 178.755 176.300 0.004 0.000 1.153 118 R CA 1.676 57.778 56.100 0.004 0.000 0.971 118 R CB -0.765 29.537 30.300 0.004 0.000 0.878 118 R HN 0.486 nan 8.270 nan 0.000 0.449 119 G N 0.740 109.543 108.800 0.005 0.000 2.394 119 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 119 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 119 G C 1.461 176.364 174.900 0.005 0.000 1.165 119 G CA 0.399 45.502 45.100 0.005 0.000 0.784 119 G HN 0.166 nan 8.290 nan 0.000 0.535 120 I N 0.801 121.374 120.570 0.005 0.000 2.286 120 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 120 I C 2.734 178.854 176.117 0.005 0.000 1.115 120 I CA 1.212 62.515 61.300 0.005 0.000 1.392 120 I CB -0.271 37.732 38.000 0.005 0.000 1.065 120 I HN 0.293 nan 8.210 nan 0.000 0.418 121 E N 1.266 121.468 120.200 0.004 0.000 2.017 121 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 121 E C 2.146 178.748 176.600 0.004 0.000 0.997 121 E CA 1.141 57.543 56.400 0.004 0.000 0.804 121 E CB -0.169 29.533 29.700 0.003 0.000 0.757 121 E HN 0.454 nan 8.360 nan 0.000 0.448 122 K N 0.771 121.174 120.400 0.004 0.000 2.103 122 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 122 K C 2.234 178.837 176.600 0.005 0.000 1.048 122 K CA 1.113 57.403 56.287 0.005 0.000 0.930 122 K CB -0.211 32.291 32.500 0.004 0.000 0.716 122 K HN 0.079 nan 8.250 nan 0.000 0.444 123 A N 1.244 124.067 122.820 0.006 0.000 1.858 123 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 123 A C 2.449 180.037 177.584 0.007 0.000 1.190 123 A CA 1.482 53.523 52.037 0.006 0.000 0.617 123 A CB -0.805 18.199 19.000 0.007 0.000 0.827 123 A HN 0.060 nan 8.150 nan 0.000 0.443 124 V N 0.222 120.139 119.914 0.006 0.000 2.252 124 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 124 V C 2.435 178.532 176.094 0.006 0.000 1.056 124 V CA 2.491 64.795 62.300 0.006 0.000 1.022 124 V CB -1.000 30.826 31.823 0.005 0.000 0.641 124 V HN 0.655 nan 8.190 nan 0.000 0.445 125 E N 0.109 120.312 120.200 0.005 0.000 2.055 125 E HA -0.342 4.008 4.350 -0.000 0.000 0.209 125 E C 2.321 178.925 176.600 0.006 0.000 1.036 125 E CA 1.708 58.111 56.400 0.005 0.000 0.849 125 E CB -0.488 29.215 29.700 0.005 0.000 0.767 125 E HN 0.592 nan 8.360 nan 0.000 0.461 126 A N 1.229 124.053 122.820 0.006 0.000 1.958 126 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 126 A C 2.352 179.941 177.584 0.008 0.000 1.178 126 A CA 2.238 54.280 52.037 0.007 0.000 0.642 126 A CB -0.804 18.201 19.000 0.007 0.000 0.816 126 A HN 0.358 nan 8.150 nan 0.000 0.453 127 A N -0.696 122.129 122.820 0.008 0.000 1.858 127 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 127 A C 2.246 179.836 177.584 0.009 0.000 1.190 127 A CA 1.812 53.855 52.037 0.009 0.000 0.617 127 A CB -1.102 17.904 19.000 0.009 0.000 0.827 127 A HN 0.452 nan 8.150 nan 0.000 0.443 128 V N 0.215 120.134 119.914 0.008 0.000 2.252 128 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 128 V C 2.543 178.641 176.094 0.008 0.000 1.056 128 V CA 2.486 64.790 62.300 0.007 0.000 1.022 128 V CB -0.878 30.949 31.823 0.006 0.000 0.641 128 V HN 0.790 nan 8.190 nan 0.000 0.445 129 E N 0.043 120.247 120.200 0.007 0.000 2.219 129 E HA -0.327 4.023 4.350 -0.000 0.000 0.198 129 E C 2.107 178.712 176.600 0.009 0.000 0.998 129 E CA 1.700 58.105 56.400 0.008 0.000 0.818 129 E CB -0.025 29.680 29.700 0.007 0.000 0.741 129 E HN 0.515 nan 8.360 nan 0.000 0.477 130 K N 0.542 120.948 120.400 0.010 0.000 2.116 130 K HA -0.014 4.305 4.320 -0.000 0.000 0.203 130 K C 1.805 178.413 176.600 0.012 0.000 1.052 130 K CA 0.958 57.253 56.287 0.012 0.000 0.952 130 K CB -0.163 32.345 32.500 0.014 0.000 0.729 130 K HN 0.167 nan 8.250 nan 0.000 0.446 131 I N 0.894 121.471 120.570 0.011 0.000 2.163 131 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 131 I C 2.110 178.233 176.117 0.009 0.000 1.085 131 I CA 1.484 62.790 61.300 0.010 0.000 1.347 131 I CB -0.315 37.690 38.000 0.008 0.000 1.044 131 I HN 0.157 nan 8.210 nan 0.000 0.408 132 K N 1.199 121.604 120.400 0.008 0.000 1.978 132 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 132 K C 2.155 178.760 176.600 0.009 0.000 1.049 132 K CA 1.749 58.041 56.287 0.008 0.000 0.939 132 K CB -0.476 32.029 32.500 0.007 0.000 0.721 132 K HN 0.300 nan 8.250 nan 0.000 0.441 133 A N 0.803 123.629 122.820 0.009 0.000 2.234 133 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 133 A C 1.769 179.361 177.584 0.012 0.000 1.167 133 A CA 1.081 53.124 52.037 0.010 0.000 0.698 133 A CB -0.224 18.782 19.000 0.010 0.000 0.779 133 A HN 0.231 nan 8.150 nan 0.000 0.475 134 L N -1.994 119.237 121.223 0.012 0.000 2.664 134 L HA 0.484 4.823 4.340 -0.000 0.000 0.233 134 L C 1.113 177.991 176.870 0.013 0.000 1.113 134 L CA 0.610 55.459 54.840 0.015 0.000 0.896 134 L CB -0.109 41.961 42.059 0.017 0.000 1.163 134 L HN 0.242 nan 8.230 nan 0.000 0.497 135 A N 0.296 123.122 122.820 0.010 0.000 2.363 135 A HA 0.496 4.816 4.320 -0.000 0.000 0.270 135 A C -0.141 177.448 177.584 0.008 0.000 1.121 135 A CA -0.253 51.788 52.037 0.008 0.000 0.800 135 A CB -0.120 18.884 19.000 0.006 0.000 1.052 135 A HN 0.206 nan 8.150 nan 0.000 0.493 136 I N 3.602 124.176 120.570 0.007 0.000 2.325 136 I HA 0.244 4.413 4.170 -0.000 0.000 0.291 136 I C -2.169 173.951 176.117 0.004 0.000 1.019 136 I CA -1.918 59.386 61.300 0.006 0.000 1.302 136 I CB 1.578 39.582 38.000 0.006 0.000 1.401 136 I HN 0.414 nan 8.210 nan 0.000 0.485 137 P HA 0.103 nan 4.420 nan 0.000 0.271 137 P C -0.781 176.521 177.300 0.002 0.000 1.216 137 P CA -0.138 62.964 63.100 0.003 0.000 0.776 137 P CB 0.810 32.512 31.700 0.004 0.000 0.881 138 V N 4.164 124.079 119.914 0.001 0.000 2.289 138 V HA 0.206 4.326 4.120 -0.000 0.000 0.272 138 V C 0.601 176.695 176.094 0.000 0.000 1.026 138 V CA 0.150 62.450 62.300 -0.000 0.000 0.807 138 V CB 0.489 32.311 31.823 -0.002 0.000 1.044 138 V HN 0.623 nan 8.190 nan 0.000 0.443 139 E N 0.773 120.974 120.200 0.001 0.000 2.603 139 E HA 0.133 4.483 4.350 -0.000 0.000 0.218 139 E C -0.120 176.481 176.600 0.002 0.000 0.878 139 E CA -0.416 55.985 56.400 0.001 0.000 1.348 139 E CB 0.825 30.526 29.700 0.002 0.000 1.318 139 E HN 0.607 nan 8.360 nan 0.000 0.673 140 D N 1.297 121.697 120.400 0.001 0.000 2.372 140 D HA -0.001 4.639 4.640 -0.000 0.000 0.243 140 D C 1.164 177.464 176.300 0.001 0.000 1.297 140 D CA 0.213 54.214 54.000 0.001 0.000 0.958 140 D CB 1.005 41.805 40.800 0.001 0.000 1.114 140 D HN -0.067 nan 8.370 nan 0.000 0.496 141 R N 0.860 121.360 120.500 0.000 0.000 2.055 141 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 141 R C 1.766 178.065 176.300 -0.002 0.000 1.135 141 R CA 1.519 57.619 56.100 0.000 0.000 0.959 141 R CB -0.213 30.087 30.300 0.000 0.000 0.854 141 R HN 0.257 nan 8.270 nan 0.000 0.431 142 K N 0.362 120.761 120.400 -0.002 0.000 2.057 142 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 142 K C 2.097 178.695 176.600 -0.003 0.000 1.049 142 K CA 1.438 57.723 56.287 -0.003 0.000 0.931 142 K CB -0.339 32.160 32.500 -0.002 0.000 0.714 142 K HN 0.283 nan 8.250 nan 0.000 0.440 143 A N 2.142 124.960 122.820 -0.002 0.000 1.848 143 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 143 A C 2.160 179.742 177.584 -0.004 0.000 1.220 143 A CA 1.855 53.891 52.037 -0.002 0.000 0.645 143 A CB -1.003 17.996 19.000 -0.001 0.000 0.842 143 A HN 0.225 nan 8.150 nan 0.000 0.451 144 I N -0.639 119.928 120.570 -0.004 0.000 2.236 144 I HA -0.328 3.842 4.170 -0.000 0.000 0.249 144 I C 2.633 178.744 176.117 -0.010 0.000 1.102 144 I CA 2.071 63.367 61.300 -0.007 0.000 1.365 144 I CB -0.487 37.510 38.000 -0.005 0.000 1.051 144 I HN 0.604 nan 8.210 nan 0.000 0.420 145 E N 1.098 121.293 120.200 -0.010 0.000 2.028 145 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 145 E C 2.072 178.664 176.600 -0.014 0.000 0.988 145 E CA 1.219 57.611 56.400 -0.014 0.000 0.799 145 E CB 0.054 29.746 29.700 -0.012 0.000 0.755 145 E HN 0.489 nan 8.360 nan 0.000 0.447 146 E N 0.087 120.281 120.200 -0.009 0.000 2.070 146 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 146 E C 2.234 178.830 176.600 -0.008 0.000 1.004 146 E CA 1.481 57.877 56.400 -0.008 0.000 0.805 146 E CB -0.066 29.631 29.700 -0.005 0.000 0.744 146 E HN 0.130 nan 8.360 nan 0.000 0.451 147 V N 1.553 121.462 119.914 -0.008 0.000 2.231 147 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 147 V C 2.398 178.487 176.094 -0.008 0.000 1.054 147 V CA 2.149 64.445 62.300 -0.008 0.000 1.015 147 V CB -0.874 30.944 31.823 -0.008 0.000 0.638 147 V HN 0.383 nan 8.190 nan 0.000 0.444 148 A N -0.625 122.188 122.820 -0.012 0.000 1.908 148 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 148 A C 2.361 179.940 177.584 -0.009 0.000 1.181 148 A CA 2.605 54.634 52.037 -0.014 0.000 0.627 148 A CB -1.091 17.892 19.000 -0.027 0.000 0.818 148 A HN 0.549 nan 8.150 nan 0.000 0.445 149 T N 0.483 115.029 114.554 -0.013 0.000 2.699 149 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 149 T C 1.775 176.479 174.700 0.007 0.000 1.036 149 T CA 1.688 63.783 62.100 -0.008 0.000 1.147 149 T CB -0.451 68.411 68.868 -0.009 0.000 0.862 149 T HN 0.479 nan 8.240 nan 0.000 0.446 150 I N 1.622 122.194 120.570 0.004 0.000 2.162 150 I HA -0.142 4.028 4.170 -0.000 0.000 0.238 150 I C 2.685 178.810 176.117 0.013 0.000 1.076 150 I CA 1.270 62.573 61.300 0.005 0.000 1.353 150 I CB -0.618 37.380 38.000 -0.004 0.000 1.063 150 I HN 0.237 nan 8.210 nan 0.000 0.408 151 S N 1.261 116.968 115.700 0.010 0.000 2.493 151 S HA -0.104 4.366 4.470 -0.000 0.000 0.243 151 S C 1.801 176.426 174.600 0.043 0.000 0.991 151 S CA 1.055 59.264 58.200 0.014 0.000 0.957 151 S CB -0.417 62.785 63.200 0.003 0.000 0.756 151 S HN 0.530 nan 8.310 nan 0.000 0.521 152 A N 1.389 124.251 122.820 0.069 0.000 2.108 152 A HA 0.351 4.671 4.320 -0.000 0.000 0.206 152 A C 0.906 178.583 177.584 0.155 0.000 1.212 152 A CA 0.258 52.391 52.037 0.160 0.000 0.843 152 A CB -0.363 18.734 19.000 0.161 0.000 0.902 152 A HN 0.565 nan 8.150 nan 0.000 0.477 153 N N 0.078 118.830 118.700 0.086 0.000 2.780 153 N HA -0.164 4.576 4.740 -0.000 0.000 0.247 153 N C -1.449 174.118 175.510 0.095 0.000 1.076 153 N CA 0.752 53.843 53.050 0.067 0.000 0.688 153 N CB -0.633 37.887 38.487 0.053 0.000 0.957 153 N HN 0.445 nan 8.380 nan 0.000 0.551 154 D N -0.682 119.766 120.400 0.079 0.000 2.369 154 D HA 0.117 4.757 4.640 -0.000 0.000 0.212 154 D C -1.989 174.312 176.300 0.002 0.000 1.326 154 D CA -0.914 53.124 54.000 0.063 0.000 0.933 154 D CB 1.470 42.344 40.800 0.124 0.000 1.516 154 D HN 0.030 nan 8.370 nan 0.000 0.557 155 P HA -0.125 nan 4.420 nan 0.000 0.220 155 P C 0.890 178.168 177.300 -0.036 0.000 1.148 155 P CA 0.999 64.090 63.100 -0.016 0.000 0.803 155 P CB 0.862 32.558 31.700 -0.007 0.000 0.782 156 E N 0.116 120.289 120.200 -0.046 0.000 2.008 156 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 156 E C 2.192 178.717 176.600 -0.125 0.000 0.986 156 E CA 1.033 57.392 56.400 -0.068 0.000 0.807 156 E CB -0.696 28.969 29.700 -0.058 0.000 0.766 156 E HN 0.016 nan 8.360 nan 0.000 0.450 157 V N 1.499 121.285 119.914 -0.213 0.000 2.568 157 V HA -0.217 3.903 4.120 -0.000 0.000 0.253 157 V C 2.309 178.274 176.094 -0.215 0.000 1.072 157 V CA 1.862 63.946 62.300 -0.361 0.000 1.084 157 V CB -1.186 30.188 31.823 -0.749 0.000 0.676 157 V HN 0.418 nan 8.190 nan 0.000 0.469 158 G N -0.286 108.437 108.800 -0.128 0.000 2.421 158 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.216 158 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.216 158 G C 1.690 176.551 174.900 -0.065 0.000 1.171 158 G CA 0.629 45.683 45.100 -0.076 0.000 0.775 158 G HN 0.344 nan 8.290 nan 0.000 0.543 159 K N 0.290 120.655 120.400 -0.059 0.000 1.991 159 K HA -0.006 4.314 4.320 -0.000 0.000 0.212 159 K C 2.627 179.202 176.600 -0.040 0.000 1.049 159 K CA 0.868 57.131 56.287 -0.040 0.000 0.932 159 K CB -0.907 31.573 32.500 -0.033 0.000 0.717 159 K HN 0.339 nan 8.250 nan 0.000 0.441 160 L N 0.716 121.899 121.223 -0.066 0.000 1.997 160 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 160 L C 2.549 179.382 176.870 -0.062 0.000 1.074 160 L CA 1.482 56.284 54.840 -0.063 0.000 0.763 160 L CB -0.629 41.361 42.059 -0.115 0.000 0.890 160 L HN 0.172 nan 8.230 nan 0.000 0.434 161 I N -0.252 120.263 120.570 -0.092 0.000 2.208 161 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 161 I C 2.822 178.914 176.117 -0.041 0.000 1.097 161 I CA 1.232 62.486 61.300 -0.076 0.000 1.363 161 I CB -0.540 37.412 38.000 -0.080 0.000 1.051 161 I HN 0.261 nan 8.210 nan 0.000 0.413 162 A N 0.790 123.593 122.820 -0.030 0.000 1.858 162 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 162 A C 2.014 179.607 177.584 0.014 0.000 1.190 162 A CA 2.054 54.085 52.037 -0.009 0.000 0.617 162 A CB -0.648 18.346 19.000 -0.010 0.000 0.827 162 A HN 0.359 nan 8.150 nan 0.000 0.443 163 D N 0.260 120.676 120.400 0.028 0.000 2.092 163 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 163 D C 2.273 178.656 176.300 0.137 0.000 0.994 163 D CA 1.659 55.707 54.000 0.080 0.000 0.828 163 D CB -0.652 40.206 40.800 0.097 0.000 0.963 163 D HN 0.419 nan 8.370 nan 0.000 0.450 164 A N 1.101 123.969 122.820 0.079 0.000 1.927 164 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 164 A C 2.325 179.926 177.584 0.028 0.000 1.185 164 A CA 1.929 53.965 52.037 -0.001 0.000 0.639 164 A CB -0.641 18.279 19.000 -0.133 0.000 0.820 164 A HN 0.188 nan 8.150 nan 0.000 0.451 165 M N -1.280 118.330 119.600 0.016 0.000 2.156 165 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 165 M C 2.087 178.413 176.300 0.044 0.000 1.067 165 M CA 1.235 56.544 55.300 0.016 0.000 1.131 165 M CB -0.525 32.075 32.600 0.001 0.000 1.368 165 M HN 0.386 nan 8.290 nan 0.000 0.416 166 E N 1.120 121.352 120.200 0.053 0.000 2.086 166 E HA -0.227 4.122 4.350 -0.000 0.000 0.200 166 E C 1.879 178.520 176.600 0.068 0.000 1.012 166 E CA 1.604 58.035 56.400 0.051 0.000 0.812 166 E CB -0.216 29.513 29.700 0.047 0.000 0.743 166 E HN 0.580 nan 8.360 nan 0.000 0.453 167 K N 0.041 120.519 120.400 0.129 0.000 2.078 167 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 167 K C 2.281 178.977 176.600 0.161 0.000 1.043 167 K CA 0.809 57.188 56.287 0.154 0.000 0.960 167 K CB -0.048 32.600 32.500 0.246 0.000 0.761 167 K HN -0.077 nan 8.250 nan 0.000 0.448 168 V N 0.955 120.981 119.914 0.186 0.000 2.759 168 V HA -0.042 4.078 4.120 -0.000 0.000 0.256 168 V C 1.069 177.198 176.094 0.059 0.000 1.080 168 V CA 1.066 63.434 62.300 0.113 0.000 1.101 168 V CB -1.239 30.614 31.823 0.050 0.000 0.698 168 V HN 0.653 nan 8.190 nan 0.000 0.477 169 G N -0.036 108.793 108.800 0.047 0.000 2.756 169 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.678 169 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.678 169 G C 0.263 175.170 174.900 0.011 0.000 1.349 169 G CA 0.088 45.204 45.100 0.026 0.000 0.847 169 G HN 0.200 nan 8.290 nan 0.000 0.548 170 K N 0.222 120.625 120.400 0.006 0.000 1.991 170 K HA -0.096 4.224 4.320 -0.000 0.000 0.212 170 K C 1.872 178.468 176.600 -0.007 0.000 1.049 170 K CA 1.969 58.255 56.287 -0.001 0.000 0.932 170 K CB -0.097 32.403 32.500 0.000 0.000 0.717 170 K HN 0.630 nan 8.250 nan 0.000 0.441 171 E N 0.785 120.982 120.200 -0.006 0.000 2.403 171 E HA 0.044 4.394 4.350 -0.000 0.000 0.187 171 E C 0.654 177.242 176.600 -0.019 0.000 1.073 171 E CA -0.454 55.938 56.400 -0.014 0.000 0.888 171 E CB 0.396 30.088 29.700 -0.013 0.000 1.035 171 E HN 0.278 nan 8.360 nan 0.000 0.471 172 G N 0.902 109.696 108.800 -0.011 0.000 2.535 172 G HA2 0.425 4.385 3.960 -0.000 0.000 0.282 172 G HA3 0.425 4.385 3.960 -0.000 0.000 0.282 172 G C -0.124 174.757 174.900 -0.031 0.000 1.350 172 G CA -0.586 44.508 45.100 -0.010 0.000 1.039 172 G HN 0.056 nan 8.290 nan 0.000 0.509 173 I N 0.232 120.782 120.570 -0.033 0.000 2.378 173 I HA 0.426 4.596 4.170 -0.000 0.000 0.291 173 I C -0.552 175.521 176.117 -0.074 0.000 0.992 173 I CA -0.264 61.004 61.300 -0.052 0.000 1.154 173 I CB 1.700 39.674 38.000 -0.044 0.000 1.315 173 I HN 0.140 nan 8.210 nan 0.000 0.448 174 I N 4.863 125.386 120.570 -0.078 0.000 2.686 174 I HA 0.531 4.700 4.170 -0.000 0.000 0.295 174 I C -0.668 175.400 176.117 -0.081 0.000 1.114 174 I CA -0.355 60.883 61.300 -0.102 0.000 1.038 174 I CB 2.628 40.570 38.000 -0.096 0.000 1.238 174 I HN 0.479 nan 8.210 nan 0.000 0.420 175 T N 3.643 118.145 114.554 -0.087 0.000 2.868 175 T HA 0.504 4.854 4.350 -0.000 0.000 0.306 175 T C -0.952 173.720 174.700 -0.047 0.000 1.224 175 T CA -0.568 61.498 62.100 -0.057 0.000 1.012 175 T CB 2.652 71.493 68.868 -0.046 0.000 1.221 175 T HN 0.189 nan 8.240 nan 0.000 0.499 176 V N 2.594 122.499 119.914 -0.016 0.000 2.384 176 V HA 0.521 4.641 4.120 -0.000 0.000 0.287 176 V C -0.537 175.569 176.094 0.020 0.000 1.020 176 V CA -0.725 61.584 62.300 0.014 0.000 0.850 176 V CB 1.519 33.375 31.823 0.055 0.000 0.987 176 V HN 0.742 nan 8.190 nan 0.000 0.436 177 E N 2.887 123.099 120.200 0.019 0.000 2.227 177 E HA 0.436 4.786 4.350 -0.000 0.000 0.268 177 E C -0.690 175.930 176.600 0.033 0.000 0.907 177 E CA -0.935 55.476 56.400 0.019 0.000 0.786 177 E CB 2.248 31.950 29.700 0.004 0.000 1.191 177 E HN 0.614 nan 8.360 nan 0.000 0.411 178 E N 0.953 121.170 120.200 0.027 0.000 1.858 178 E HA 0.100 4.450 4.350 -0.000 0.000 0.267 178 E C 0.169 176.783 176.600 0.023 0.000 1.215 178 E CA -0.015 56.402 56.400 0.028 0.000 0.952 178 E CB 0.427 30.138 29.700 0.018 0.000 1.058 178 E HN 0.264 nan 8.360 nan 0.000 0.407 179 S N 2.581 118.299 115.700 0.030 0.000 2.612 179 S HA 0.016 4.486 4.470 -0.000 0.000 0.253 179 S C 0.902 175.514 174.600 0.019 0.000 1.346 179 S CA 0.098 58.312 58.200 0.023 0.000 0.976 179 S CB 0.621 63.838 63.200 0.028 0.000 0.949 179 S HN 0.508 nan 8.310 nan 0.000 0.584 180 K N 0.109 120.518 120.400 0.015 0.000 2.399 180 K HA 0.146 4.466 4.320 -0.000 0.000 0.196 180 K C 0.546 177.154 176.600 0.013 0.000 1.103 180 K CA 0.076 56.370 56.287 0.012 0.000 0.986 180 K CB 0.272 32.776 32.500 0.007 0.000 0.952 180 K HN 0.641 nan 8.250 nan 0.000 0.541 181 S N 0.858 116.568 115.700 0.016 0.000 2.585 181 S HA 0.170 4.640 4.470 -0.000 0.000 0.273 181 S C 0.906 175.519 174.600 0.022 0.000 1.339 181 S CA -0.542 57.668 58.200 0.017 0.000 1.028 181 S CB 0.587 63.797 63.200 0.017 0.000 0.906 181 S HN 0.152 nan 8.310 nan 0.000 0.528 182 L N 0.311 121.547 121.223 0.021 0.000 2.645 182 L HA 0.312 4.652 4.340 -0.000 0.000 0.234 182 L C 0.567 177.455 176.870 0.031 0.000 1.165 182 L CA 0.335 55.190 54.840 0.025 0.000 0.944 182 L CB -0.836 41.234 42.059 0.019 0.000 1.149 182 L HN 0.711 nan 8.230 nan 0.000 0.446 183 E N -0.367 119.852 120.200 0.031 0.000 2.288 183 E HA 0.361 4.711 4.350 -0.000 0.000 0.268 183 E C -0.747 175.874 176.600 0.036 0.000 0.885 183 E CA -0.552 55.868 56.400 0.032 0.000 0.767 183 E CB 2.292 32.004 29.700 0.021 0.000 1.220 183 E HN -0.121 nan 8.360 nan 0.000 0.427 184 T N 2.562 117.137 114.554 0.035 0.000 2.744 184 T HA 0.312 4.662 4.350 -0.000 0.000 0.291 184 T C -0.518 174.176 174.700 -0.010 0.000 0.957 184 T CA -0.458 61.654 62.100 0.021 0.000 1.002 184 T CB 0.626 69.501 68.868 0.011 0.000 0.919 184 T HN 0.364 nan 8.240 nan 0.000 0.468 185 E N 1.495 121.689 120.200 -0.009 0.000 2.410 185 E HA 0.646 4.996 4.350 -0.000 0.000 0.269 185 E C -1.404 175.187 176.600 -0.016 0.000 0.937 185 E CA -1.123 55.272 56.400 -0.007 0.000 0.793 185 E CB 1.925 31.631 29.700 0.010 0.000 1.314 185 E HN 0.268 nan 8.360 nan 0.000 0.447 186 L N 1.214 122.441 121.223 0.006 0.000 2.325 186 L HA 0.485 4.825 4.340 -0.000 0.000 0.281 186 L C -1.537 175.381 176.870 0.079 0.000 1.004 186 L CA -0.223 54.619 54.840 0.003 0.000 0.823 186 L CB 0.752 42.829 42.059 0.030 0.000 1.236 186 L HN 0.429 nan 8.230 nan 0.000 0.415 187 K N 5.071 125.484 120.400 0.022 0.000 2.378 187 K HA 0.505 4.825 4.320 -0.000 0.000 0.252 187 K C -1.428 175.210 176.600 0.063 0.000 0.931 187 K CA -0.377 55.983 56.287 0.122 0.000 0.794 187 K CB 1.942 34.478 32.500 0.060 0.000 1.181 187 K HN 0.306 nan 8.250 nan 0.000 0.425 188 F N 2.341 122.289 119.950 -0.004 0.000 2.359 188 F HA 0.187 4.714 4.527 -0.000 0.000 0.355 188 F C 0.428 176.230 175.800 0.003 0.000 1.132 188 F CA -0.809 57.191 58.000 -0.000 0.000 1.246 188 F CB 0.100 39.099 39.000 -0.001 0.000 1.569 188 F HN 0.161 nan 8.300 nan 0.000 0.561 189 V N 0.841 120.810 119.914 0.093 0.000 3.751 189 V HA 0.243 4.363 4.120 -0.000 0.000 0.274 189 V C 0.526 176.662 176.094 0.070 0.000 0.960 189 V CA -0.751 61.590 62.300 0.068 0.000 0.960 189 V CB 0.718 32.558 31.823 0.029 0.000 1.244 189 V HN 0.307 nan 8.190 nan 0.000 0.417 190 E N -0.101 120.130 120.200 0.053 0.000 2.221 190 E HA 0.732 5.082 4.350 -0.000 0.000 0.268 190 E C -0.001 176.634 176.600 0.058 0.000 0.933 190 E CA 0.088 56.523 56.400 0.057 0.000 0.809 190 E CB 1.809 31.535 29.700 0.043 0.000 1.190 190 E HN 0.929 nan 8.360 nan 0.000 0.406 191 G N 0.077 108.928 108.800 0.085 0.000 2.323 191 G HA2 0.312 4.272 3.960 -0.000 0.000 0.291 191 G HA3 0.312 4.272 3.960 -0.000 0.000 0.291 191 G C -2.136 172.903 174.900 0.231 0.000 1.278 191 G CA -0.563 44.608 45.100 0.118 0.000 0.860 191 G HN 0.311 nan 8.290 nan 0.000 0.504 192 Y N -0.394 119.933 120.300 0.044 0.000 2.705 192 Y HA 0.789 5.339 4.550 -0.000 0.000 0.332 192 Y C -1.085 174.881 175.900 0.110 0.000 1.221 192 Y CA -0.646 57.494 58.100 0.066 0.000 1.059 192 Y CB 2.372 40.867 38.460 0.058 0.000 1.298 192 Y HN 0.800 nan 8.280 nan 0.000 0.459 193 Q N 2.937 122.637 119.800 -0.167 0.000 2.430 193 Q HA 0.443 4.783 4.340 -0.000 0.000 0.253 193 Q C -2.159 173.791 176.000 -0.082 0.000 0.945 193 Q CA -0.488 55.286 55.803 -0.048 0.000 0.964 193 Q CB 1.593 30.274 28.738 -0.095 0.000 1.460 193 Q HN 0.579 nan 8.270 nan 0.000 0.428 194 F N 0.067 119.907 119.950 -0.184 0.000 2.611 194 F HA 0.627 5.154 4.527 -0.000 0.000 0.324 194 F C -0.365 175.381 175.800 -0.090 0.000 1.061 194 F CA -1.143 56.766 58.000 -0.151 0.000 0.954 194 F CB 1.289 40.241 39.000 -0.081 0.000 1.301 194 F HN 0.226 nan 8.300 nan 0.000 0.482 195 D N 3.103 123.483 120.400 -0.033 0.000 2.619 195 D HA 0.229 4.869 4.640 -0.000 0.000 0.224 195 D C -0.454 175.779 176.300 -0.111 0.000 1.133 195 D CA 0.226 54.164 54.000 -0.103 0.000 1.017 195 D CB 0.304 41.096 40.800 -0.014 0.000 1.077 195 D HN 0.343 nan 8.370 nan 0.000 0.503 196 K N 0.152 120.375 120.400 -0.295 0.000 2.551 196 K HA 0.655 4.975 4.320 -0.000 0.000 0.269 196 K C 0.043 176.462 176.600 -0.301 0.000 0.949 196 K CA -0.832 55.337 56.287 -0.198 0.000 0.849 196 K CB 2.759 35.244 32.500 -0.024 0.000 1.411 196 K HN 0.280 nan 8.250 nan 0.000 0.432 197 G N 0.107 108.787 108.800 -0.201 0.000 3.105 197 G HA2 0.510 4.470 3.960 -0.000 0.000 0.277 197 G HA3 0.510 4.470 3.960 -0.000 0.000 0.277 197 G C -1.175 173.663 174.900 -0.104 0.000 1.375 197 G CA -0.738 44.204 45.100 -0.263 0.000 0.962 197 G HN 0.450 nan 8.290 nan 0.000 0.541 198 Y N -0.046 120.299 120.300 0.075 0.000 2.729 198 Y HA 0.242 4.792 4.550 -0.000 0.000 0.331 198 Y C 1.443 177.447 175.900 0.173 0.000 1.208 198 Y CA -0.967 57.248 58.100 0.191 0.000 1.521 198 Y CB -0.123 38.487 38.460 0.251 0.000 1.233 198 Y HN 0.279 nan 8.280 nan 0.000 0.539 199 I N 1.574 122.389 120.570 0.409 0.000 2.657 199 I HA -0.195 3.975 4.170 -0.000 0.000 0.261 199 I C 0.936 177.162 176.117 0.183 0.000 1.212 199 I CA 1.488 62.949 61.300 0.269 0.000 1.453 199 I CB -0.174 37.995 38.000 0.281 0.000 1.092 199 I HN 0.688 nan 8.210 nan 0.000 0.452 200 S N -0.157 115.618 115.700 0.125 0.000 2.572 200 S HA 0.342 4.812 4.470 -0.000 0.000 0.274 200 S C -2.023 172.502 174.600 -0.124 0.000 1.150 200 S CA -1.245 56.881 58.200 -0.124 0.000 0.944 200 S CB 1.797 64.654 63.200 -0.571 0.000 1.071 200 S HN -0.152 nan 8.310 nan 0.000 0.479 201 P HA -0.034 nan 4.420 nan 0.000 0.234 201 P C 0.503 177.533 177.300 -0.450 0.000 1.167 201 P CA 0.684 63.602 63.100 -0.304 0.000 0.763 201 P CB -0.160 31.488 31.700 -0.086 0.000 0.835 202 Y N -1.368 118.679 120.300 -0.422 0.000 2.516 202 Y HA 0.074 4.624 4.550 -0.000 0.000 0.291 202 Y C 2.145 177.916 175.900 -0.215 0.000 1.131 202 Y CA 0.637 58.546 58.100 -0.319 0.000 1.281 202 Y CB -1.158 37.116 38.460 -0.310 0.000 1.013 202 Y HN -0.091 nan 8.280 nan 0.000 0.554 203 F N -1.055 118.844 119.950 -0.085 0.000 2.802 203 F HA 0.004 4.531 4.527 -0.000 0.000 0.300 203 F C 0.755 176.437 175.800 -0.196 0.000 1.168 203 F CA -0.494 57.447 58.000 -0.099 0.000 1.433 203 F CB -0.030 38.945 39.000 -0.042 0.000 1.115 203 F HN -0.298 nan 8.300 nan 0.000 0.582 204 V N 0.949 120.743 119.914 -0.199 0.000 2.673 204 V HA -0.111 4.009 4.120 -0.000 0.000 0.303 204 V C 1.102 177.153 176.094 -0.072 0.000 1.046 204 V CA 0.777 62.948 62.300 -0.215 0.000 1.126 204 V CB 1.142 32.780 31.823 -0.309 0.000 0.934 204 V HN 0.231 nan 8.190 nan 0.000 0.487 205 T N 2.802 117.338 114.554 -0.030 0.000 2.901 205 T HA -0.008 4.341 4.350 -0.000 0.000 0.252 205 T C 0.949 175.636 174.700 -0.022 0.000 1.035 205 T CA 0.610 62.704 62.100 -0.011 0.000 1.142 205 T CB -0.070 68.802 68.868 0.007 0.000 0.869 205 T HN 0.618 nan 8.240 nan 0.000 0.442 206 N N 1.474 120.163 118.700 -0.018 0.000 2.469 206 N HA 0.218 4.958 4.740 -0.000 0.000 0.253 206 N C -2.448 173.044 175.510 -0.030 0.000 0.970 206 N CA -2.073 50.966 53.050 -0.019 0.000 0.940 206 N CB 2.158 40.644 38.487 -0.003 0.000 1.128 206 N HN -0.090 nan 8.380 nan 0.000 0.503 207 P HA -0.099 nan 4.420 nan 0.000 0.215 207 P C 0.657 177.936 177.300 -0.035 0.000 1.153 207 P CA 1.360 64.427 63.100 -0.055 0.000 0.853 207 P CB 0.583 32.247 31.700 -0.060 0.000 0.788 208 E N -0.724 119.459 120.200 -0.028 0.000 2.007 208 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 208 E C 1.987 178.583 176.600 -0.006 0.000 0.999 208 E CA 2.045 58.431 56.400 -0.024 0.000 0.811 208 E CB -0.999 28.681 29.700 -0.035 0.000 0.762 208 E HN 0.341 nan 8.360 nan 0.000 0.450 209 T N -0.920 113.638 114.554 0.006 0.000 3.072 209 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 209 T C 1.095 175.827 174.700 0.054 0.000 1.127 209 T CA 0.401 62.521 62.100 0.034 0.000 1.107 209 T CB 0.018 68.912 68.868 0.043 0.000 0.910 209 T HN 0.053 nan 8.240 nan 0.000 0.513 210 M N 1.056 120.682 119.600 0.043 0.000 2.461 210 M HA -0.141 4.339 4.480 -0.000 0.000 0.203 210 M C -0.492 175.913 176.300 0.176 0.000 0.428 210 M CA 0.763 56.110 55.300 0.080 0.000 0.509 210 M CB -2.243 30.423 32.600 0.110 0.000 1.851 210 M HN 0.628 nan 8.290 nan 0.000 0.834 211 E N -0.457 119.814 120.200 0.118 0.000 2.299 211 E HA 0.805 5.155 4.350 -0.000 0.000 0.260 211 E C -0.075 176.585 176.600 0.100 0.000 0.944 211 E CA -0.603 55.896 56.400 0.165 0.000 0.815 211 E CB 1.772 31.531 29.700 0.099 0.000 1.252 211 E HN 0.363 nan 8.360 nan 0.000 0.418 212 A N 1.400 124.301 122.820 0.136 0.000 2.323 212 A HA 0.472 4.792 4.320 -0.000 0.000 0.305 212 A C -0.949 176.675 177.584 0.068 0.000 1.275 212 A CA -0.553 51.535 52.037 0.085 0.000 0.804 212 A CB 0.573 19.652 19.000 0.132 0.000 1.152 212 A HN 0.269 nan 8.150 nan 0.000 0.487 213 V N 4.210 124.148 119.914 0.039 0.000 2.398 213 V HA 0.448 4.568 4.120 -0.000 0.000 0.286 213 V C -0.276 175.827 176.094 0.016 0.000 1.026 213 V CA -0.207 62.109 62.300 0.027 0.000 0.868 213 V CB 1.144 32.979 31.823 0.019 0.000 0.982 213 V HN 0.751 nan 8.190 nan 0.000 0.443 214 L N 4.924 126.153 121.223 0.011 0.000 2.356 214 L HA 0.626 4.966 4.340 -0.000 0.000 0.277 214 L C -0.179 176.685 176.870 -0.010 0.000 0.996 214 L CA -0.454 54.386 54.840 -0.000 0.000 0.822 214 L CB 2.111 44.169 42.059 -0.001 0.000 1.256 214 L HN 0.573 nan 8.230 nan 0.000 0.413 215 E N 2.793 122.981 120.200 -0.019 0.000 2.171 215 E HA 0.180 4.530 4.350 -0.000 0.000 0.271 215 E C -1.094 175.471 176.600 -0.058 0.000 0.916 215 E CA -0.686 55.695 56.400 -0.031 0.000 0.774 215 E CB 1.431 31.118 29.700 -0.022 0.000 1.128 215 E HN 0.488 nan 8.360 nan 0.000 0.403 216 D N 1.612 121.963 120.400 -0.082 0.000 2.927 216 D HA -0.187 4.453 4.640 -0.000 0.000 0.236 216 D C -1.138 175.031 176.300 -0.219 0.000 1.163 216 D CA 0.890 54.804 54.000 -0.143 0.000 0.801 216 D CB -0.535 40.192 40.800 -0.122 0.000 0.975 216 D HN 0.478 nan 8.370 nan 0.000 0.413 217 A N 0.587 123.281 122.820 -0.210 0.000 2.346 217 A HA 0.787 5.107 4.320 -0.000 0.000 0.313 217 A C -0.264 177.138 177.584 -0.304 0.000 1.140 217 A CA -0.654 51.252 52.037 -0.218 0.000 0.826 217 A CB 1.004 19.972 19.000 -0.052 0.000 1.332 217 A HN 0.090 nan 8.150 nan 0.000 0.457 218 F N -0.303 119.647 119.950 0.001 0.000 2.377 218 F HA 0.519 5.046 4.527 -0.000 0.000 0.328 218 F C 0.420 176.222 175.800 0.004 0.000 1.094 218 F CA -0.065 57.936 58.000 0.002 0.000 1.093 218 F CB 1.233 40.233 39.000 0.000 0.000 1.214 218 F HN 0.226 nan 8.300 nan 0.000 0.518 219 I N 4.324 125.005 120.570 0.184 0.000 2.557 219 I HA 0.133 4.303 4.170 -0.000 0.000 0.277 219 I C -0.829 175.344 176.117 0.093 0.000 1.106 219 I CA -0.741 60.625 61.300 0.109 0.000 1.180 219 I CB 0.907 38.950 38.000 0.072 0.000 1.392 219 I HN 0.316 nan 8.210 nan 0.000 0.506 220 L N 7.614 128.890 121.223 0.087 0.000 2.704 220 L HA 0.200 4.540 4.340 -0.000 0.000 0.279 220 L C -0.075 176.820 176.870 0.041 0.000 1.147 220 L CA 0.696 55.571 54.840 0.058 0.000 0.994 220 L CB -0.406 41.678 42.059 0.041 0.000 1.332 220 L HN 0.356 nan 8.230 nan 0.000 0.471 221 I N 6.332 126.921 120.570 0.031 0.000 2.269 221 I HA 0.183 4.353 4.170 -0.000 0.000 0.293 221 I C 0.075 176.202 176.117 0.016 0.000 1.106 221 I CA -0.352 60.953 61.300 0.008 0.000 1.248 221 I CB 0.354 38.343 38.000 -0.018 0.000 1.444 221 I HN 0.326 nan 8.210 nan 0.000 0.497 222 V N 5.726 125.650 119.914 0.017 0.000 3.234 222 V HA 0.248 4.368 4.120 -0.000 0.000 0.317 222 V C 0.933 177.033 176.094 0.011 0.000 1.081 222 V CA -0.298 62.015 62.300 0.023 0.000 1.037 222 V CB 2.028 33.864 31.823 0.021 0.000 1.148 222 V HN 0.796 nan 8.190 nan 0.000 0.453 223 E N -0.108 120.102 120.200 0.016 0.000 2.639 223 E HA 0.196 4.546 4.350 -0.000 0.000 0.225 223 E C 0.580 177.188 176.600 0.014 0.000 0.921 223 E CA -0.173 56.233 56.400 0.010 0.000 1.184 223 E CB 0.651 30.359 29.700 0.012 0.000 1.160 223 E HN 0.618 nan 8.360 nan 0.000 0.547 224 K N 0.804 121.213 120.400 0.015 0.000 2.177 224 K HA 0.286 4.606 4.320 -0.000 0.000 0.238 224 K C -0.604 176.006 176.600 0.017 0.000 1.015 224 K CA -0.597 55.698 56.287 0.013 0.000 0.922 224 K CB 1.079 33.581 32.500 0.004 0.000 1.127 224 K HN -0.217 nan 8.250 nan 0.000 0.469 225 K N 2.000 122.411 120.400 0.018 0.000 2.231 225 K HA 0.167 4.487 4.320 -0.000 0.000 0.275 225 K C -0.935 175.676 176.600 0.019 0.000 1.105 225 K CA -0.387 55.914 56.287 0.024 0.000 0.931 225 K CB 1.030 33.546 32.500 0.027 0.000 1.296 225 K HN 0.282 nan 8.250 nan 0.000 0.446 226 V N 3.518 123.445 119.914 0.022 0.000 2.390 226 V HA -0.056 4.064 4.120 -0.000 0.000 0.260 226 V C 1.146 177.253 176.094 0.022 0.000 1.043 226 V CA 0.485 62.795 62.300 0.016 0.000 1.047 226 V CB 0.221 32.055 31.823 0.019 0.000 1.066 226 V HN 0.828 nan 8.190 nan 0.000 0.481 227 S N 2.265 117.973 115.700 0.014 0.000 2.649 227 S HA 0.166 4.635 4.470 -0.000 0.000 0.246 227 S C 0.425 175.029 174.600 0.008 0.000 1.057 227 S CA -0.399 57.810 58.200 0.015 0.000 1.051 227 S CB 0.037 63.246 63.200 0.015 0.000 1.018 227 S HN 0.617 nan 8.310 nan 0.000 0.569 228 N N 0.850 119.550 118.700 0.000 0.000 2.421 228 N HA 0.469 5.209 4.740 -0.000 0.000 0.285 228 N C 0.846 176.352 175.510 -0.007 0.000 1.027 228 N CA -0.378 52.668 53.050 -0.006 0.000 0.918 228 N CB 1.710 40.189 38.487 -0.013 0.000 1.152 228 N HN -0.090 nan 8.380 nan 0.000 0.485 229 V N 3.196 123.106 119.914 -0.006 0.000 2.307 229 V HA -0.137 3.982 4.120 -0.000 0.000 0.245 229 V C 2.365 178.450 176.094 -0.015 0.000 1.045 229 V CA 1.402 63.698 62.300 -0.007 0.000 1.024 229 V CB -0.671 31.149 31.823 -0.005 0.000 0.651 229 V HN 0.673 nan 8.190 nan 0.000 0.449 230 R N 1.715 122.204 120.500 -0.018 0.000 2.119 230 R HA -0.230 4.110 4.340 -0.000 0.000 0.246 230 R C 2.117 178.396 176.300 -0.034 0.000 1.146 230 R CA 2.293 58.379 56.100 -0.024 0.000 0.962 230 R CB -0.652 29.634 30.300 -0.023 0.000 0.863 230 R HN 0.805 nan 8.270 nan 0.000 0.442 231 E N -0.844 119.333 120.200 -0.038 0.000 2.511 231 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 231 E C 1.716 178.285 176.600 -0.052 0.000 1.066 231 E CA 0.586 56.953 56.400 -0.056 0.000 0.871 231 E CB -0.089 29.574 29.700 -0.062 0.000 0.863 231 E HN 0.453 nan 8.360 nan 0.000 0.520 232 L N -0.130 121.072 121.223 -0.035 0.000 2.547 232 L HA 0.189 4.529 4.340 -0.000 0.000 0.218 232 L C 2.032 178.886 176.870 -0.027 0.000 1.048 232 L CA 0.034 54.857 54.840 -0.028 0.000 0.859 232 L CB 0.139 42.189 42.059 -0.014 0.000 1.128 232 L HN 0.152 nan 8.230 nan 0.000 0.483 233 L N 1.193 122.401 121.223 -0.024 0.000 2.051 233 L HA -0.196 4.144 4.340 -0.000 0.000 0.214 233 L C -0.423 176.430 176.870 -0.028 0.000 1.076 233 L CA 1.858 56.685 54.840 -0.022 0.000 0.758 233 L CB -1.802 40.245 42.059 -0.019 0.000 0.890 233 L HN 0.288 nan 8.230 nan 0.000 0.433 234 P HA -0.228 nan 4.420 nan 0.000 0.212 234 P C 1.714 178.989 177.300 -0.041 0.000 1.178 234 P CA 1.913 64.991 63.100 -0.036 0.000 0.915 234 P CB -0.079 31.597 31.700 -0.040 0.000 0.788 235 I N -1.418 119.125 120.570 -0.045 0.000 2.315 235 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 235 I C 2.618 178.697 176.117 -0.063 0.000 1.117 235 I CA 0.690 61.956 61.300 -0.058 0.000 1.404 235 I CB -0.811 37.160 38.000 -0.048 0.000 1.071 235 I HN -0.139 nan 8.210 nan 0.000 0.419 236 L N 0.838 122.035 121.223 -0.043 0.000 2.079 236 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 236 L C 2.494 179.343 176.870 -0.035 0.000 1.081 236 L CA 1.893 56.712 54.840 -0.033 0.000 0.752 236 L CB -0.595 41.452 42.059 -0.020 0.000 0.896 236 L HN 0.227 nan 8.230 nan 0.000 0.433 237 E N -1.099 119.079 120.200 -0.037 0.000 2.051 237 E HA -0.207 4.143 4.350 -0.000 0.000 0.189 237 E C 2.068 178.640 176.600 -0.047 0.000 0.979 237 E CA 1.106 57.486 56.400 -0.033 0.000 0.803 237 E CB -0.137 29.546 29.700 -0.028 0.000 0.761 237 E HN 0.652 nan 8.360 nan 0.000 0.451 238 Q N 0.563 120.323 119.800 -0.068 0.000 2.077 238 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 238 Q C 2.375 178.297 176.000 -0.129 0.000 0.989 238 Q CA 1.618 57.364 55.803 -0.095 0.000 0.853 238 Q CB -0.186 28.480 28.738 -0.119 0.000 0.907 238 Q HN 0.116 nan 8.270 nan 0.000 0.418 239 V N 0.873 120.694 119.914 -0.154 0.000 2.515 239 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 239 V C 2.263 178.341 176.094 -0.028 0.000 1.058 239 V CA 1.488 63.694 62.300 -0.158 0.000 1.064 239 V CB -1.017 30.728 31.823 -0.130 0.000 0.675 239 V HN 0.386 nan 8.190 nan 0.000 0.461 240 A N -0.296 122.512 122.820 -0.021 0.000 1.883 240 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 240 A C 2.140 179.731 177.584 0.012 0.000 1.186 240 A CA 1.916 53.955 52.037 0.004 0.000 0.624 240 A CB -0.501 18.497 19.000 -0.003 0.000 0.822 240 A HN 0.616 nan 8.150 nan 0.000 0.444 241 Q N -0.827 118.972 119.800 -0.001 0.000 2.488 241 Q HA -0.047 4.293 4.340 -0.000 0.000 0.211 241 Q C 1.471 177.486 176.000 0.024 0.000 0.967 241 Q CA 1.217 57.024 55.803 0.007 0.000 0.926 241 Q CB -0.196 28.540 28.738 -0.005 0.000 0.992 241 Q HN 0.670 nan 8.270 nan 0.000 0.506 242 T N -0.905 113.674 114.554 0.040 0.000 3.043 242 T HA 0.030 4.380 4.350 -0.000 0.000 0.263 242 T C 1.392 176.157 174.700 0.109 0.000 1.094 242 T CA 0.878 63.038 62.100 0.099 0.000 1.127 242 T CB 0.071 69.056 68.868 0.197 0.000 0.905 242 T HN 0.594 nan 8.240 nan 0.000 0.490 243 G N 1.636 110.485 108.800 0.083 0.000 2.184 243 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 243 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 243 G C 0.139 175.084 174.900 0.075 0.000 0.975 243 G CA 0.291 45.429 45.100 0.064 0.000 0.642 243 G HN 0.475 nan 8.290 nan 0.000 0.536 244 K N 1.218 121.697 120.400 0.131 0.000 2.095 244 K HA 0.519 4.839 4.320 -0.000 0.000 0.252 244 K C -2.090 174.588 176.600 0.130 0.000 0.977 244 K CA -1.700 54.657 56.287 0.117 0.000 0.900 244 K CB 1.759 34.341 32.500 0.137 0.000 1.060 244 K HN 0.091 nan 8.250 nan 0.000 0.449 245 P HA 0.184 nan 4.420 nan 0.000 0.276 245 P C -1.279 176.083 177.300 0.103 0.000 1.252 245 P CA -0.535 62.600 63.100 0.058 0.000 0.802 245 P CB 0.759 32.468 31.700 0.013 0.000 1.035 246 L N 1.534 122.797 121.223 0.066 0.000 2.436 246 L HA 0.541 4.881 4.340 -0.000 0.000 0.268 246 L C -1.569 175.307 176.870 0.010 0.000 0.974 246 L CA -0.970 53.919 54.840 0.081 0.000 0.826 246 L CB 1.786 43.890 42.059 0.076 0.000 1.291 246 L HN 0.161 nan 8.230 nan 0.000 0.406 247 L N 6.198 127.442 121.223 0.036 0.000 2.294 247 L HA 0.629 4.969 4.340 -0.000 0.000 0.283 247 L C -1.142 175.746 176.870 0.029 0.000 1.015 247 L CA -0.062 54.787 54.840 0.015 0.000 0.831 247 L CB 0.908 42.996 42.059 0.050 0.000 1.217 247 L HN 0.564 nan 8.230 nan 0.000 0.420 248 I N 6.427 126.994 120.570 -0.005 0.000 2.331 248 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 248 I C 0.044 176.195 176.117 0.057 0.000 0.998 248 I CA -0.170 61.140 61.300 0.017 0.000 1.267 248 I CB 1.262 39.256 38.000 -0.010 0.000 1.386 248 I HN 0.575 nan 8.210 nan 0.000 0.476 249 I N 6.422 127.030 120.570 0.063 0.000 2.997 249 I HA 0.321 4.491 4.170 -0.000 0.000 0.329 249 I C 0.653 176.795 176.117 0.042 0.000 1.367 249 I CA -0.131 61.217 61.300 0.080 0.000 0.902 249 I CB 0.450 38.485 38.000 0.057 0.000 2.104 249 I HN 0.608 nan 8.210 nan 0.000 0.581 250 A N 1.701 124.551 122.820 0.050 0.000 2.249 250 A HA 0.248 4.568 4.320 -0.000 0.000 0.281 250 A C 1.433 179.041 177.584 0.039 0.000 1.127 250 A CA -0.217 51.842 52.037 0.036 0.000 0.833 250 A CB 0.404 19.428 19.000 0.040 0.000 1.140 250 A HN 0.689 nan 8.150 nan 0.000 0.502 251 E N -0.871 119.347 120.200 0.030 0.000 2.347 251 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 251 E C -0.251 176.380 176.600 0.052 0.000 1.008 251 E CA 1.054 57.472 56.400 0.030 0.000 0.852 251 E CB 0.183 29.898 29.700 0.026 0.000 0.783 251 E HN 0.492 nan 8.360 nan 0.000 0.505 252 D N -0.791 119.644 120.400 0.058 0.000 2.751 252 D HA 0.125 4.765 4.640 -0.000 0.000 0.236 252 D C -1.879 174.462 176.300 0.070 0.000 1.196 252 D CA -0.540 53.503 54.000 0.071 0.000 0.741 252 D CB 2.247 43.086 40.800 0.065 0.000 1.474 252 D HN -0.063 nan 8.370 nan 0.000 0.452 253 V N 3.504 123.472 119.914 0.089 0.000 2.443 253 V HA 0.499 4.619 4.120 -0.000 0.000 0.293 253 V C 0.183 176.328 176.094 0.085 0.000 1.021 253 V CA -0.511 61.842 62.300 0.089 0.000 0.848 253 V CB 1.501 33.398 31.823 0.123 0.000 0.998 253 V HN 0.554 nan 8.190 nan 0.000 0.424 254 E N 3.273 123.509 120.200 0.060 0.000 2.446 254 E HA 0.812 5.162 4.350 -0.000 0.000 0.267 254 E C 0.599 177.218 176.600 0.032 0.000 0.955 254 E CA -0.372 56.055 56.400 0.045 0.000 0.842 254 E CB 1.621 31.344 29.700 0.038 0.000 1.504 254 E HN 0.890 nan 8.360 nan 0.000 0.438 255 G N 1.065 109.876 108.800 0.019 0.000 2.652 255 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.318 255 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.318 255 G C 0.754 175.659 174.900 0.008 0.000 1.295 255 G CA 0.962 46.068 45.100 0.010 0.000 0.999 255 G HN 0.747 nan 8.290 nan 0.000 0.548 256 E N 0.379 120.583 120.200 0.006 0.000 2.049 256 E HA -0.093 4.257 4.350 -0.000 0.000 0.198 256 E C 3.097 179.706 176.600 0.015 0.000 1.007 256 E CA 1.621 58.023 56.400 0.005 0.000 0.809 256 E CB -0.393 29.308 29.700 0.002 0.000 0.749 256 E HN 0.781 nan 8.360 nan 0.000 0.450 257 A N 1.563 124.396 122.820 0.021 0.000 1.881 257 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 257 A C 2.247 179.867 177.584 0.061 0.000 1.215 257 A CA 1.879 53.936 52.037 0.034 0.000 0.648 257 A CB -0.905 18.115 19.000 0.033 0.000 0.832 257 A HN 0.262 nan 8.150 nan 0.000 0.455 258 L N -0.568 120.698 121.223 0.072 0.000 2.083 258 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 258 L C 2.680 179.597 176.870 0.080 0.000 1.083 258 L CA 2.196 57.106 54.840 0.116 0.000 0.752 258 L CB -0.849 41.265 42.059 0.091 0.000 0.899 258 L HN 0.396 nan 8.230 nan 0.000 0.433 259 A N -1.550 121.283 122.820 0.022 0.000 1.877 259 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 259 A C 2.254 179.841 177.584 0.006 0.000 1.186 259 A CA 2.288 54.315 52.037 -0.017 0.000 0.620 259 A CB -1.207 17.777 19.000 -0.027 0.000 0.822 259 A HN 0.490 nan 8.150 nan 0.000 0.443 260 T N 0.706 115.275 114.554 0.026 0.000 2.674 260 T HA -0.122 4.228 4.350 -0.000 0.000 0.265 260 T C 1.837 176.575 174.700 0.063 0.000 1.039 260 T CA 1.533 63.651 62.100 0.031 0.000 1.150 260 T CB -0.493 68.389 68.868 0.024 0.000 0.864 260 T HN 0.350 nan 8.240 nan 0.000 0.427 261 L N 0.789 122.073 121.223 0.102 0.000 2.043 261 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 261 L C 2.652 179.686 176.870 0.273 0.000 1.075 261 L CA 1.045 55.975 54.840 0.151 0.000 0.752 261 L CB -0.745 41.419 42.059 0.175 0.000 0.891 261 L HN 0.171 nan 8.230 nan 0.000 0.432 262 V N -1.141 118.941 119.914 0.279 0.000 2.379 262 V HA -0.201 3.918 4.120 -0.000 0.000 0.245 262 V C 2.374 178.518 176.094 0.083 0.000 1.044 262 V CA 1.288 63.704 62.300 0.194 0.000 1.036 262 V CB -0.133 31.615 31.823 -0.126 0.000 0.664 262 V HN 0.175 nan 8.190 nan 0.000 0.453 263 V N 0.822 120.754 119.914 0.031 0.000 2.237 263 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 263 V C 2.318 178.436 176.094 0.039 0.000 1.046 263 V CA 2.265 64.573 62.300 0.014 0.000 1.007 263 V CB -0.888 30.934 31.823 -0.002 0.000 0.638 263 V HN 0.575 nan 8.190 nan 0.000 0.445 264 N N 0.289 119.017 118.700 0.047 0.000 2.223 264 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 264 N C 1.847 177.390 175.510 0.055 0.000 1.016 264 N CA 1.462 54.537 53.050 0.042 0.000 0.863 264 N CB -0.269 38.239 38.487 0.034 0.000 0.983 264 N HN 0.430 nan 8.380 nan 0.000 0.429 265 K N 1.788 122.243 120.400 0.091 0.000 2.001 265 K HA 0.030 4.350 4.320 -0.000 0.000 0.208 265 K C 1.862 178.517 176.600 0.092 0.000 1.048 265 K CA 1.008 57.361 56.287 0.111 0.000 0.932 265 K CB -0.505 32.129 32.500 0.223 0.000 0.715 265 K HN 0.121 nan 8.250 nan 0.000 0.437 266 L N 0.059 121.338 121.223 0.094 0.000 2.478 266 L HA 0.102 4.442 4.340 -0.000 0.000 0.223 266 L C 2.590 179.485 176.870 0.040 0.000 1.140 266 L CA 0.540 55.423 54.840 0.072 0.000 0.842 266 L CB -0.209 41.902 42.059 0.086 0.000 0.953 266 L HN 0.188 nan 8.230 nan 0.000 0.452 267 R N -0.056 120.466 120.500 0.037 0.000 2.105 267 R HA 0.064 4.404 4.340 -0.000 0.000 0.214 267 R C 1.411 177.722 176.300 0.018 0.000 1.091 267 R CA 0.998 57.111 56.100 0.022 0.000 1.007 267 R CB 0.306 30.619 30.300 0.020 0.000 0.912 267 R HN 0.298 nan 8.270 nan 0.000 0.450 268 G N -1.140 107.675 108.800 0.024 0.000 2.205 268 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.180 268 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.180 268 G C 0.769 175.680 174.900 0.018 0.000 1.004 268 G CA 0.377 45.488 45.100 0.019 0.000 0.670 268 G HN 0.351 nan 8.290 nan 0.000 0.496 269 T N -0.087 114.479 114.554 0.020 0.000 2.708 269 T HA 0.233 4.583 4.350 -0.000 0.000 0.266 269 T C 0.877 175.588 174.700 0.019 0.000 1.037 269 T CA 1.482 63.593 62.100 0.017 0.000 1.146 269 T CB 0.216 69.094 68.868 0.016 0.000 0.865 269 T HN 0.473 nan 8.240 nan 0.000 0.435 270 L N 1.326 122.563 121.223 0.023 0.000 2.543 270 L HA 0.383 4.723 4.340 -0.000 0.000 0.265 270 L C -0.944 175.939 176.870 0.022 0.000 0.945 270 L CA -0.755 54.098 54.840 0.022 0.000 0.869 270 L CB 1.984 44.053 42.059 0.016 0.000 1.294 270 L HN 0.134 nan 8.230 nan 0.000 0.405 271 S N 4.599 120.310 115.700 0.018 0.000 2.409 271 S HA 0.607 5.077 4.470 -0.000 0.000 0.308 271 S C -0.339 174.248 174.600 -0.022 0.000 1.080 271 S CA -0.499 57.707 58.200 0.011 0.000 1.081 271 S CB 0.576 63.785 63.200 0.014 0.000 1.009 271 S HN 0.490 nan 8.310 nan 0.000 0.502 272 V N -0.241 119.627 119.914 -0.075 0.000 3.164 272 V HA 1.065 5.185 4.120 -0.000 0.000 0.313 272 V C -0.235 175.591 176.094 -0.446 0.000 1.188 272 V CA -0.987 61.197 62.300 -0.193 0.000 1.058 272 V CB 1.123 32.826 31.823 -0.200 0.000 1.110 272 V HN 1.353 nan 8.190 nan 0.000 0.453 273 A N 0.238 122.704 122.820 -0.589 0.000 2.500 273 A HA 0.903 5.223 4.320 -0.000 0.000 0.291 273 A C -0.527 176.750 177.584 -0.512 0.000 1.048 273 A CA 0.002 51.530 52.037 -0.847 0.000 0.791 273 A CB 0.979 19.838 19.000 -0.234 0.000 1.309 273 A HN 2.335 nan 8.150 nan 0.000 0.397 274 A N 1.707 124.219 122.820 -0.514 0.000 2.292 274 A HA 0.764 5.084 4.320 -0.000 0.000 0.319 274 A C -0.512 177.186 177.584 0.190 0.000 1.206 274 A CA -0.444 51.588 52.037 -0.008 0.000 0.835 274 A CB 0.803 19.883 19.000 0.134 0.000 1.164 274 A HN 1.468 nan 8.150 nan 0.000 0.505 275 V N 3.126 123.137 119.914 0.161 0.000 2.735 275 V HA 0.307 4.427 4.120 -0.000 0.000 0.310 275 V C 0.077 176.290 176.094 0.197 0.000 1.061 275 V CA -0.927 61.486 62.300 0.188 0.000 0.913 275 V CB 2.094 34.033 31.823 0.194 0.000 1.005 275 V HN 0.987 nan 8.190 nan 0.000 0.428 276 K N 2.036 122.542 120.400 0.176 0.000 2.219 276 K HA 0.571 4.891 4.320 -0.000 0.000 0.258 276 K C 0.248 176.961 176.600 0.189 0.000 1.008 276 K CA -0.120 56.254 56.287 0.144 0.000 0.928 276 K CB 0.726 33.287 32.500 0.102 0.000 0.983 276 K HN 0.844 nan 8.250 nan 0.000 0.484 277 A N 3.759 126.620 122.820 0.069 0.000 2.440 277 A HA 0.205 4.524 4.320 -0.000 0.000 0.251 277 A C -1.971 175.566 177.584 -0.078 0.000 1.089 277 A CA -1.189 50.829 52.037 -0.033 0.000 0.779 277 A CB -0.377 18.580 19.000 -0.071 0.000 1.022 277 A HN 0.448 nan 8.150 nan 0.000 0.492 278 P HA 0.296 nan 4.420 nan 0.000 0.270 278 P C 0.767 177.918 177.300 -0.248 0.000 1.223 278 P CA 1.352 64.400 63.100 -0.087 0.000 0.785 278 P CB 0.371 31.948 31.700 -0.205 0.000 0.923 279 G N 0.766 109.363 108.800 -0.339 0.000 2.801 279 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.244 279 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.244 279 G C -1.180 173.270 174.900 -0.749 0.000 1.385 279 G CA -0.393 44.476 45.100 -0.385 0.000 0.894 279 G HN 0.453 nan 8.290 nan 0.000 0.562 280 F N -0.089 119.899 119.950 0.063 0.000 2.591 280 F HA 0.668 5.195 4.527 -0.000 0.000 0.309 280 F C 0.980 176.809 175.800 0.047 0.000 1.098 280 F CA 0.576 58.608 58.000 0.054 0.000 0.937 280 F CB 1.419 40.453 39.000 0.056 0.000 1.250 280 F HN 2.000 nan 8.300 nan 0.000 0.447 281 G N 2.049 110.968 108.800 0.198 0.000 2.552 281 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.265 281 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.265 281 G C 0.575 175.524 174.900 0.082 0.000 1.234 281 G CA 0.300 45.476 45.100 0.126 0.000 0.944 281 G HN 0.631 nan 8.290 nan 0.000 0.568 282 D N 0.136 120.578 120.400 0.071 0.000 2.158 282 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 282 D C 2.362 178.689 176.300 0.045 0.000 0.995 282 D CA 1.661 55.690 54.000 0.048 0.000 0.846 282 D CB -0.136 40.691 40.800 0.046 0.000 0.941 282 D HN 0.337 nan 8.370 nan 0.000 0.456 283 R N 1.367 121.908 120.500 0.069 0.000 2.117 283 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 283 R C 2.137 178.456 176.300 0.030 0.000 1.143 283 R CA 1.334 57.472 56.100 0.064 0.000 0.968 283 R CB -0.423 29.945 30.300 0.114 0.000 0.863 283 R HN 0.139 nan 8.270 nan 0.000 0.444 284 R N 0.133 120.644 120.500 0.018 0.000 2.062 284 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 284 R C 2.140 178.414 176.300 -0.043 0.000 1.136 284 R CA 1.970 58.049 56.100 -0.035 0.000 0.948 284 R CB -0.295 29.978 30.300 -0.045 0.000 0.845 284 R HN 0.152 nan 8.270 nan 0.000 0.430 285 K N 0.031 120.417 120.400 -0.024 0.000 2.152 285 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 285 K C 1.853 178.427 176.600 -0.043 0.000 1.048 285 K CA 1.859 58.127 56.287 -0.032 0.000 0.933 285 K CB 0.001 32.492 32.500 -0.014 0.000 0.721 285 K HN 0.067 nan 8.250 nan 0.000 0.447 286 E N 0.491 120.675 120.200 -0.028 0.000 2.110 286 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 286 E C 1.763 178.331 176.600 -0.053 0.000 0.988 286 E CA 1.490 57.871 56.400 -0.031 0.000 0.804 286 E CB 0.025 29.721 29.700 -0.008 0.000 0.745 286 E HN 0.351 nan 8.360 nan 0.000 0.458 287 M N -0.727 118.845 119.600 -0.047 0.000 2.288 287 M HA -0.002 4.478 4.480 -0.000 0.000 0.266 287 M C 1.943 178.145 176.300 -0.162 0.000 1.072 287 M CA 0.652 55.921 55.300 -0.052 0.000 1.132 287 M CB 0.004 32.614 32.600 0.017 0.000 1.386 287 M HN 0.115 nan 8.290 nan 0.000 0.432 288 L N 0.067 121.200 121.223 -0.150 0.000 2.201 288 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 288 L C 2.263 179.032 176.870 -0.169 0.000 1.105 288 L CA 1.197 55.934 54.840 -0.172 0.000 0.775 288 L CB -0.379 41.609 42.059 -0.118 0.000 0.913 288 L HN 0.290 nan 8.230 nan 0.000 0.440 289 K N -0.468 119.843 120.400 -0.150 0.000 2.076 289 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 289 K C 1.623 178.100 176.600 -0.206 0.000 1.051 289 K CA 0.968 57.172 56.287 -0.139 0.000 0.949 289 K CB -0.091 32.350 32.500 -0.099 0.000 0.726 289 K HN 0.263 nan 8.250 nan 0.000 0.443 290 D N 1.259 121.487 120.400 -0.288 0.000 2.158 290 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 290 D C 1.913 177.859 176.300 -0.591 0.000 0.995 290 D CA 1.191 54.913 54.000 -0.464 0.000 0.846 290 D CB -0.022 40.369 40.800 -0.681 0.000 0.941 290 D HN 0.213 nan 8.370 nan 0.000 0.456 291 I N 1.261 121.506 120.570 -0.541 0.000 2.193 291 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 291 I C 2.724 178.720 176.117 -0.201 0.000 1.084 291 I CA 0.798 61.874 61.300 -0.373 0.000 1.365 291 I CB -0.352 37.491 38.000 -0.262 0.000 1.064 291 I HN -0.106 nan 8.210 nan 0.000 0.410 292 A N 1.052 123.775 122.820 -0.161 0.000 1.917 292 A HA -0.263 4.056 4.320 -0.000 0.000 0.219 292 A C 2.538 180.067 177.584 -0.092 0.000 1.182 292 A CA 2.265 54.243 52.037 -0.098 0.000 0.633 292 A CB -0.936 18.013 19.000 -0.084 0.000 0.819 292 A HN 0.474 nan 8.150 nan 0.000 0.448 293 A N -0.678 122.069 122.820 -0.121 0.000 1.877 293 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 293 A C 2.158 179.693 177.584 -0.080 0.000 1.186 293 A CA 2.008 53.987 52.037 -0.098 0.000 0.620 293 A CB -0.946 17.987 19.000 -0.112 0.000 0.822 293 A HN 0.578 nan 8.150 nan 0.000 0.443 294 V N -0.404 119.448 119.914 -0.104 0.000 2.871 294 V HA -0.107 4.013 4.120 -0.000 0.000 0.256 294 V C 2.380 178.455 176.094 -0.032 0.000 1.082 294 V CA 2.038 64.303 62.300 -0.057 0.000 1.105 294 V CB -0.975 30.818 31.823 -0.051 0.000 0.713 294 V HN 0.598 nan 8.190 nan 0.000 0.473 295 T N -0.342 114.188 114.554 -0.041 0.000 2.939 295 T HA 0.283 4.633 4.350 -0.000 0.000 0.254 295 T C 1.501 176.197 174.700 -0.008 0.000 1.041 295 T CA 1.143 63.234 62.100 -0.016 0.000 1.142 295 T CB 0.125 68.987 68.868 -0.010 0.000 0.874 295 T HN 0.761 nan 8.240 nan 0.000 0.452 296 G N 1.045 109.835 108.800 -0.016 0.000 2.167 296 G HA2 0.111 4.071 3.960 -0.000 0.000 0.194 296 G HA3 0.111 4.071 3.960 -0.000 0.000 0.194 296 G C 0.167 175.071 174.900 0.006 0.000 1.027 296 G CA -0.316 44.780 45.100 -0.006 0.000 0.717 296 G HN 0.855 nan 8.290 nan 0.000 0.501 297 G N -1.535 107.262 108.800 -0.005 0.000 3.108 297 G HA2 0.911 4.871 3.960 -0.000 0.000 0.268 297 G HA3 0.911 4.871 3.960 -0.000 0.000 0.268 297 G C -0.619 174.268 174.900 -0.022 0.000 1.361 297 G CA 0.169 45.272 45.100 0.004 0.000 1.047 297 G HN 0.825 nan 8.290 nan 0.000 0.540 298 T N -0.349 114.193 114.554 -0.020 0.000 2.933 298 T HA 0.388 4.737 4.350 -0.000 0.000 0.305 298 T C -0.459 174.229 174.700 -0.019 0.000 1.092 298 T CA -0.396 61.682 62.100 -0.037 0.000 1.008 298 T CB 1.892 70.723 68.868 -0.062 0.000 1.102 298 T HN 0.407 nan 8.240 nan 0.000 0.469 299 V N 3.661 123.559 119.914 -0.027 0.000 2.400 299 V HA 0.097 4.217 4.120 -0.000 0.000 0.263 299 V C 0.835 176.948 176.094 0.032 0.000 1.026 299 V CA -0.018 62.277 62.300 -0.008 0.000 1.077 299 V CB -0.770 31.038 31.823 -0.026 0.000 1.054 299 V HN 0.779 nan 8.190 nan 0.000 0.477 300 I N 5.488 126.105 120.570 0.079 0.000 2.710 300 I HA 0.008 4.178 4.170 -0.000 0.000 0.307 300 I C 0.977 177.179 176.117 0.142 0.000 1.175 300 I CA 0.388 61.800 61.300 0.188 0.000 2.125 300 I CB -0.383 37.739 38.000 0.204 0.000 1.576 300 I HN 0.729 nan 8.210 nan 0.000 0.995 301 S N 2.944 118.715 115.700 0.119 0.000 2.525 301 S HA 0.271 4.741 4.470 -0.000 0.000 0.278 301 S C 0.980 175.640 174.600 0.100 0.000 1.234 301 S CA -0.868 57.379 58.200 0.079 0.000 1.058 301 S CB 1.858 65.085 63.200 0.044 0.000 0.983 301 S HN 0.371 nan 8.310 nan 0.000 0.495 302 E N 2.537 122.774 120.200 0.061 0.000 2.268 302 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 302 E C 1.453 178.084 176.600 0.051 0.000 0.995 302 E CA 0.843 57.272 56.400 0.049 0.000 0.836 302 E CB -0.193 29.518 29.700 0.018 0.000 0.763 302 E HN 0.845 nan 8.360 nan 0.000 0.491 303 E N 1.027 121.253 120.200 0.043 0.000 2.021 303 E HA -0.140 4.210 4.350 -0.000 0.000 0.200 303 E C 1.515 178.139 176.600 0.039 0.000 1.015 303 E CA 0.843 57.263 56.400 0.034 0.000 0.824 303 E CB -0.235 29.481 29.700 0.026 0.000 0.762 303 E HN 0.214 nan 8.360 nan 0.000 0.454 304 L N 1.360 122.610 121.223 0.045 0.000 2.855 304 L HA 0.096 4.436 4.340 -0.000 0.000 0.257 304 L C 0.585 177.500 176.870 0.074 0.000 1.206 304 L CA -0.154 54.711 54.840 0.041 0.000 1.042 304 L CB -1.485 40.587 42.059 0.022 0.000 1.321 304 L HN 0.213 nan 8.230 nan 0.000 0.417 305 G N 1.346 110.195 108.800 0.081 0.000 2.329 305 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.204 305 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.204 305 G C -0.775 174.250 174.900 0.208 0.000 0.435 305 G CA -0.132 45.029 45.100 0.101 0.000 0.977 305 G HN 0.327 nan 8.290 nan 0.000 0.366 306 F N 2.375 122.321 119.950 -0.007 0.000 2.767 306 F HA 0.451 4.978 4.527 -0.000 0.000 0.341 306 F C -0.202 175.592 175.800 -0.009 0.000 1.192 306 F CA -1.355 56.640 58.000 -0.009 0.000 1.127 306 F CB 0.888 39.881 39.000 -0.011 0.000 1.388 306 F HN 0.414 nan 8.300 nan 0.000 0.574 307 K N 5.643 125.652 120.400 -0.651 0.000 2.237 307 K HA 0.365 4.685 4.320 -0.000 0.000 0.270 307 K C 0.972 177.053 176.600 -0.865 0.000 1.015 307 K CA -0.494 55.450 56.287 -0.572 0.000 0.949 307 K CB 1.175 33.478 32.500 -0.329 0.000 0.976 307 K HN 0.736 nan 8.250 nan 0.000 0.472 308 L N 2.135 123.089 121.223 -0.448 0.000 2.027 308 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 308 L C 2.483 179.205 176.870 -0.247 0.000 1.074 308 L CA 1.150 55.802 54.840 -0.313 0.000 0.745 308 L CB -0.395 41.574 42.059 -0.151 0.000 0.898 308 L HN 0.769 nan 8.230 nan 0.000 0.433 309 E N 0.073 120.154 120.200 -0.198 0.000 2.187 309 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 309 E C 0.702 177.233 176.600 -0.116 0.000 1.004 309 E CA 1.384 57.708 56.400 -0.126 0.000 0.813 309 E CB -0.801 28.838 29.700 -0.100 0.000 0.736 309 E HN 0.541 nan 8.360 nan 0.000 0.468 310 N N 1.431 120.013 118.700 -0.196 0.000 2.375 310 N HA 0.201 4.941 4.740 -0.000 0.000 0.220 310 N C -0.401 175.184 175.510 0.125 0.000 1.170 310 N CA 0.536 53.543 53.050 -0.072 0.000 0.833 310 N CB 0.575 39.023 38.487 -0.066 0.000 1.069 310 N HN 0.215 nan 8.380 nan 0.000 0.479 311 A N 0.356 123.222 122.820 0.078 0.000 2.274 311 A HA 0.467 4.787 4.320 -0.000 0.000 0.309 311 A C 0.478 178.131 177.584 0.116 0.000 1.226 311 A CA -0.404 51.790 52.037 0.262 0.000 0.853 311 A CB 0.584 19.699 19.000 0.193 0.000 1.146 311 A HN 0.060 nan 8.150 nan 0.000 0.518 312 T N 2.391 117.011 114.554 0.109 0.000 2.913 312 T HA 0.182 4.532 4.350 -0.000 0.000 0.297 312 T C 0.987 175.667 174.700 -0.034 0.000 1.029 312 T CA -0.143 61.970 62.100 0.021 0.000 1.104 312 T CB 0.617 69.492 68.868 0.011 0.000 0.964 312 T HN 0.569 nan 8.240 nan 0.000 0.532 313 L N 3.293 124.462 121.223 -0.091 0.000 2.798 313 L HA 0.122 4.462 4.340 -0.000 0.000 0.254 313 L C 1.398 178.178 176.870 -0.149 0.000 1.176 313 L CA 0.762 55.480 54.840 -0.203 0.000 0.991 313 L CB -1.312 40.591 42.059 -0.260 0.000 1.225 313 L HN 0.779 nan 8.230 nan 0.000 0.420 314 S N -3.412 112.255 115.700 -0.056 0.000 2.648 314 S HA 0.119 4.589 4.470 -0.000 0.000 0.270 314 S C 1.381 175.986 174.600 0.008 0.000 1.080 314 S CA -0.167 58.031 58.200 -0.004 0.000 1.159 314 S CB -0.284 62.913 63.200 -0.005 0.000 1.091 314 S HN 0.357 nan 8.310 nan 0.000 0.605 315 M N 2.544 122.143 119.600 -0.002 0.000 2.492 315 M HA 0.280 4.760 4.480 -0.000 0.000 0.262 315 M C 0.633 176.946 176.300 0.021 0.000 1.090 315 M CA 0.592 55.889 55.300 -0.006 0.000 1.110 315 M CB -0.395 32.203 32.600 -0.003 0.000 1.407 315 M HN 0.429 nan 8.290 nan 0.000 0.470 316 L N -0.340 120.910 121.223 0.043 0.000 2.260 316 L HA 0.724 5.064 4.340 -0.000 0.000 0.289 316 L C 0.308 177.265 176.870 0.144 0.000 1.057 316 L CA -0.856 54.034 54.840 0.084 0.000 0.811 316 L CB 0.358 42.469 42.059 0.086 0.000 1.184 316 L HN 0.018 nan 8.230 nan 0.000 0.429 317 G N 4.112 112.970 108.800 0.097 0.000 2.583 317 G HA2 0.517 4.477 3.960 -0.000 0.000 0.275 317 G HA3 0.517 4.477 3.960 -0.000 0.000 0.275 317 G C -0.355 174.607 174.900 0.104 0.000 1.342 317 G CA -0.657 44.494 45.100 0.086 0.000 1.030 317 G HN 1.048 nan 8.290 nan 0.000 0.520 318 R N -2.823 117.691 120.500 0.024 0.000 2.728 318 R HA 0.723 5.063 4.340 -0.000 0.000 0.274 318 R C -1.322 174.940 176.300 -0.062 0.000 1.030 318 R CA -0.660 55.404 56.100 -0.060 0.000 0.876 318 R CB 1.034 31.189 30.300 -0.242 0.000 1.259 318 R HN 1.203 nan 8.270 nan 0.000 0.468 319 A N 0.321 123.091 122.820 -0.084 0.000 2.594 319 A HA 0.394 4.713 4.320 -0.000 0.000 0.291 319 A C -0.011 177.532 177.584 -0.070 0.000 1.105 319 A CA -0.783 51.223 52.037 -0.052 0.000 0.694 319 A CB 1.807 20.801 19.000 -0.010 0.000 1.291 319 A HN 0.886 nan 8.150 nan 0.000 0.410 320 E N -0.205 119.968 120.200 -0.046 0.000 2.106 320 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 320 E C 0.654 177.232 176.600 -0.036 0.000 0.984 320 E CA 0.999 57.372 56.400 -0.045 0.000 0.806 320 E CB 0.203 29.887 29.700 -0.027 0.000 0.750 320 E HN 0.427 nan 8.360 nan 0.000 0.458 321 R N -0.044 120.444 120.500 -0.021 0.000 2.561 321 R HA 0.351 4.691 4.340 -0.000 0.000 0.266 321 R C -2.062 174.241 176.300 0.004 0.000 1.091 321 R CA -0.325 55.768 56.100 -0.011 0.000 0.927 321 R CB 2.049 32.345 30.300 -0.006 0.000 1.240 321 R HN -0.136 nan 8.270 nan 0.000 0.449 322 V N 4.334 124.253 119.914 0.008 0.000 2.483 322 V HA 0.493 4.613 4.120 -0.000 0.000 0.297 322 V C -0.617 175.491 176.094 0.024 0.000 1.027 322 V CA -0.706 61.609 62.300 0.025 0.000 0.855 322 V CB 1.780 33.623 31.823 0.034 0.000 0.995 322 V HN 0.670 nan 8.190 nan 0.000 0.424 323 R N 5.756 126.268 120.500 0.020 0.000 2.343 323 R HA 0.710 5.050 4.340 -0.000 0.000 0.320 323 R C -1.381 174.928 176.300 0.015 0.000 0.956 323 R CA -0.458 55.654 56.100 0.020 0.000 0.836 323 R CB 1.052 31.357 30.300 0.008 0.000 1.151 323 R HN 0.699 nan 8.270 nan 0.000 0.450 324 I N 3.546 124.152 120.570 0.060 0.000 2.389 324 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 324 I C -0.098 176.108 176.117 0.148 0.000 0.999 324 I CA -0.697 60.653 61.300 0.082 0.000 1.129 324 I CB 2.228 40.331 38.000 0.172 0.000 1.288 324 I HN 0.567 nan 8.210 nan 0.000 0.444 325 T N 3.981 118.517 114.554 -0.030 0.000 2.950 325 T HA 0.201 4.551 4.350 -0.000 0.000 0.288 325 T C 0.919 175.289 174.700 -0.551 0.000 1.035 325 T CA -0.655 61.377 62.100 -0.113 0.000 1.028 325 T CB 2.112 70.919 68.868 -0.103 0.000 1.109 325 T HN 0.603 nan 8.240 nan 0.000 0.514 326 K N 0.403 120.332 120.400 -0.785 0.000 2.442 326 K HA -0.078 4.242 4.320 -0.000 0.000 0.198 326 K C 0.260 176.581 176.600 -0.465 0.000 1.044 326 K CA 1.329 57.003 56.287 -1.021 0.000 0.948 326 K CB 0.207 32.380 32.500 -0.546 0.000 0.762 326 K HN 0.395 nan 8.250 nan 0.000 0.472 327 D N -0.624 119.587 120.400 -0.314 0.000 2.498 327 D HA 0.047 4.687 4.640 -0.000 0.000 0.223 327 D C -0.372 175.806 176.300 -0.203 0.000 1.125 327 D CA 0.167 54.047 54.000 -0.200 0.000 0.835 327 D CB 0.888 41.611 40.800 -0.128 0.000 1.086 327 D HN 0.237 nan 8.370 nan 0.000 0.510 328 E N 0.133 120.188 120.200 -0.241 0.000 2.352 328 E HA 0.353 4.703 4.350 -0.000 0.000 0.280 328 E C -1.433 174.973 176.600 -0.324 0.000 0.930 328 E CA -0.370 55.864 56.400 -0.277 0.000 0.765 328 E CB 1.971 31.557 29.700 -0.190 0.000 1.219 328 E HN -0.273 nan 8.360 nan 0.000 0.434 329 T N 2.228 116.465 114.554 -0.528 0.000 2.823 329 T HA 0.528 4.878 4.350 -0.000 0.000 0.279 329 T C -1.001 173.530 174.700 -0.282 0.000 0.998 329 T CA -0.446 61.375 62.100 -0.465 0.000 0.994 329 T CB 1.614 70.015 68.868 -0.778 0.000 0.960 329 T HN 0.386 nan 8.240 nan 0.000 0.448 330 T N 3.200 117.698 114.554 -0.094 0.000 2.886 330 T HA 0.590 4.940 4.350 -0.000 0.000 0.292 330 T C -0.431 174.301 174.700 0.053 0.000 1.012 330 T CA -0.562 61.531 62.100 -0.012 0.000 0.982 330 T CB 0.933 69.782 68.868 -0.031 0.000 1.018 330 T HN 0.440 nan 8.240 nan 0.000 0.451 331 I N 2.943 123.574 120.570 0.100 0.000 2.437 331 I HA 0.390 4.560 4.170 -0.000 0.000 0.279 331 I C -0.618 175.542 176.117 0.070 0.000 1.028 331 I CA -0.898 60.463 61.300 0.101 0.000 1.142 331 I CB 1.398 39.492 38.000 0.156 0.000 1.266 331 I HN 0.271 nan 8.210 nan 0.000 0.461 332 V N 4.962 124.897 119.914 0.037 0.000 2.427 332 V HA 0.646 4.766 4.120 -0.000 0.000 0.286 332 V C 0.818 176.920 176.094 0.013 0.000 1.034 332 V CA -0.177 62.135 62.300 0.019 0.000 0.893 332 V CB 1.326 33.150 31.823 0.002 0.000 0.982 332 V HN 1.020 nan 8.190 nan 0.000 0.452 333 G N 3.609 112.417 108.800 0.014 0.000 2.325 333 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.248 333 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.248 333 G C 0.379 175.282 174.900 0.005 0.000 1.108 333 G CA -0.356 44.748 45.100 0.006 0.000 0.881 333 G HN 1.371 nan 8.290 nan 0.000 0.494 334 G N -0.342 108.469 108.800 0.019 0.000 2.340 334 G HA2 0.436 4.396 3.960 -0.000 0.000 0.245 334 G HA3 0.436 4.396 3.960 -0.000 0.000 0.245 334 G C 0.619 175.521 174.900 0.004 0.000 1.294 334 G CA -0.148 44.961 45.100 0.016 0.000 0.896 334 G HN 0.482 nan 8.290 nan 0.000 0.522 335 K N 2.299 122.695 120.400 -0.006 0.000 2.498 335 K HA 0.181 4.501 4.320 -0.000 0.000 0.207 335 K C 1.320 177.916 176.600 -0.006 0.000 1.033 335 K CA -0.249 56.032 56.287 -0.009 0.000 1.138 335 K CB 0.975 33.463 32.500 -0.020 0.000 0.860 335 K HN 0.536 nan 8.250 nan 0.000 0.490 336 G N 1.187 109.982 108.800 -0.008 0.000 2.572 336 G HA2 0.072 4.032 3.960 -0.000 0.000 0.261 336 G HA3 0.072 4.032 3.960 -0.000 0.000 0.261 336 G C -0.552 174.341 174.900 -0.011 0.000 1.197 336 G CA -0.582 44.509 45.100 -0.013 0.000 0.870 336 G HN 0.141 nan 8.290 nan 0.000 0.548 337 K N 0.727 121.119 120.400 -0.014 0.000 2.436 337 K HA 0.016 4.336 4.320 -0.000 0.000 0.282 337 K C 1.321 177.914 176.600 -0.012 0.000 1.044 337 K CA -0.139 56.141 56.287 -0.012 0.000 1.028 337 K CB 1.312 33.804 32.500 -0.014 0.000 0.919 337 K HN 0.626 nan 8.250 nan 0.000 0.474 338 K N 3.465 123.861 120.400 -0.006 0.000 2.366 338 K HA -0.254 4.066 4.320 -0.000 0.000 0.202 338 K C 0.553 177.148 176.600 -0.008 0.000 1.045 338 K CA 1.650 57.934 56.287 -0.004 0.000 0.934 338 K CB 0.215 32.714 32.500 -0.000 0.000 0.746 338 K HN 0.561 nan 8.250 nan 0.000 0.470 339 E N 0.425 120.619 120.200 -0.011 0.000 2.021 339 E HA -0.131 4.219 4.350 -0.000 0.000 0.189 339 E C 1.703 178.292 176.600 -0.018 0.000 0.980 339 E CA 1.066 57.458 56.400 -0.013 0.000 0.803 339 E CB -0.058 29.634 29.700 -0.014 0.000 0.766 339 E HN 0.340 nan 8.360 nan 0.000 0.449 340 D N 1.118 121.504 120.400 -0.023 0.000 2.158 340 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 340 D C 2.067 178.345 176.300 -0.037 0.000 0.995 340 D CA 1.050 55.030 54.000 -0.032 0.000 0.846 340 D CB -0.178 40.599 40.800 -0.038 0.000 0.941 340 D HN 0.198 nan 8.370 nan 0.000 0.456 341 I N 1.190 121.742 120.570 -0.031 0.000 2.113 341 I HA -0.237 3.933 4.170 -0.000 0.000 0.238 341 I C 2.264 178.369 176.117 -0.019 0.000 1.070 341 I CA 1.192 62.475 61.300 -0.029 0.000 1.332 341 I CB -0.280 37.711 38.000 -0.015 0.000 1.044 341 I HN -0.079 nan 8.210 nan 0.000 0.402 342 E N 0.874 121.068 120.200 -0.011 0.000 2.331 342 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 342 E C 2.175 178.768 176.600 -0.011 0.000 1.008 342 E CA 0.962 57.358 56.400 -0.007 0.000 0.843 342 E CB -0.146 29.551 29.700 -0.005 0.000 0.761 342 E HN 0.526 nan 8.360 nan 0.000 0.507 343 A N 1.634 124.443 122.820 -0.018 0.000 1.873 343 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 343 A C 2.034 179.605 177.584 -0.021 0.000 1.186 343 A CA 1.072 53.097 52.037 -0.020 0.000 0.616 343 A CB -0.140 18.844 19.000 -0.026 0.000 0.823 343 A HN 0.022 nan 8.150 nan 0.000 0.442 344 R N 0.088 120.570 120.500 -0.028 0.000 2.066 344 R HA -0.002 4.337 4.340 -0.000 0.000 0.232 344 R C 2.009 178.301 176.300 -0.013 0.000 1.131 344 R CA 1.394 57.476 56.100 -0.030 0.000 0.955 344 R CB -1.334 28.936 30.300 -0.051 0.000 0.851 344 R HN 0.649 nan 8.270 nan 0.000 0.432 345 I N 1.746 122.312 120.570 -0.006 0.000 2.145 345 I HA -0.356 3.814 4.170 -0.000 0.000 0.244 345 I C 1.850 177.968 176.117 0.002 0.000 1.075 345 I CA 1.524 62.827 61.300 0.005 0.000 1.332 345 I CB -0.436 37.569 38.000 0.009 0.000 1.033 345 I HN 0.193 nan 8.210 nan 0.000 0.410 346 N N 0.943 119.642 118.700 -0.003 0.000 2.173 346 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 346 N C 1.969 177.477 175.510 -0.004 0.000 1.025 346 N CA 1.551 54.599 53.050 -0.003 0.000 0.852 346 N CB -0.642 37.842 38.487 -0.005 0.000 0.998 346 N HN 0.403 nan 8.380 nan 0.000 0.427 347 G N 1.344 110.140 108.800 -0.007 0.000 2.479 347 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 347 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 347 G C 1.537 176.434 174.900 -0.005 0.000 1.115 347 G CA 0.147 45.242 45.100 -0.008 0.000 0.757 347 G HN 0.290 nan 8.290 nan 0.000 0.560 348 I N -0.602 119.966 120.570 -0.003 0.000 2.480 348 I HA 0.041 4.211 4.170 -0.000 0.000 0.251 348 I C 2.572 178.690 176.117 0.001 0.000 1.124 348 I CA 0.718 62.018 61.300 0.001 0.000 1.444 348 I CB 0.062 38.066 38.000 0.006 0.000 1.098 348 I HN 0.079 nan 8.210 nan 0.000 0.428 349 K N 0.624 121.024 120.400 0.001 0.000 2.103 349 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 349 K C 2.012 178.612 176.600 0.000 0.000 1.052 349 K CA 1.113 57.401 56.287 0.001 0.000 0.945 349 K CB -0.027 32.474 32.500 0.002 0.000 0.722 349 K HN 0.274 nan 8.250 nan 0.000 0.443 350 K N 1.182 121.582 120.400 -0.000 0.000 2.026 350 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 350 K C 2.118 178.718 176.600 0.001 0.000 1.048 350 K CA 1.378 57.664 56.287 -0.000 0.000 0.929 350 K CB -0.025 32.474 32.500 -0.002 0.000 0.713 350 K HN 0.213 nan 8.250 nan 0.000 0.439 351 E N 1.026 121.226 120.200 0.000 0.000 2.347 351 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 351 E C 1.828 178.429 176.600 0.002 0.000 1.008 351 E CA 0.215 56.616 56.400 0.002 0.000 0.852 351 E CB 0.178 29.878 29.700 0.001 0.000 0.783 351 E HN 0.201 nan 8.360 nan 0.000 0.505 352 L N 0.664 121.888 121.223 0.000 0.000 2.217 352 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 352 L C 1.617 178.488 176.870 0.001 0.000 1.107 352 L CA 1.415 56.255 54.840 -0.001 0.000 0.783 352 L CB -0.194 41.864 42.059 -0.001 0.000 0.919 352 L HN 0.238 nan 8.230 nan 0.000 0.442 353 E N -1.335 118.866 120.200 0.002 0.000 2.299 353 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 353 E C 1.644 178.247 176.600 0.005 0.000 0.998 353 E CA 0.962 57.364 56.400 0.003 0.000 0.851 353 E CB 0.221 29.922 29.700 0.003 0.000 0.795 353 E HN 0.341 nan 8.360 nan 0.000 0.492 354 T N 0.453 115.010 114.554 0.005 0.000 3.081 354 T HA 0.018 4.368 4.350 -0.000 0.000 0.255 354 T C 0.752 175.457 174.700 0.009 0.000 1.113 354 T CA 0.345 62.449 62.100 0.007 0.000 1.082 354 T CB 0.193 69.065 68.868 0.006 0.000 0.939 354 T HN 0.028 nan 8.240 nan 0.000 0.506 355 T N 3.164 117.723 114.554 0.009 0.000 2.907 355 T HA 0.137 4.487 4.350 -0.000 0.000 0.298 355 T C 0.842 175.551 174.700 0.015 0.000 1.017 355 T CA -0.372 61.735 62.100 0.012 0.000 1.118 355 T CB 0.781 69.653 68.868 0.007 0.000 0.948 355 T HN 0.404 nan 8.240 nan 0.000 0.531 356 D N 0.041 120.453 120.400 0.021 0.000 2.461 356 D HA -0.009 4.631 4.640 -0.000 0.000 0.266 356 D C 0.682 177.001 176.300 0.032 0.000 1.085 356 D CA -0.093 53.921 54.000 0.023 0.000 0.887 356 D CB -0.144 40.668 40.800 0.021 0.000 1.309 356 D HN 0.508 nan 8.370 nan 0.000 0.498 357 S N 1.031 116.757 115.700 0.043 0.000 2.430 357 S HA 0.146 4.616 4.470 -0.000 0.000 0.282 357 S C 0.938 175.581 174.600 0.072 0.000 1.186 357 S CA -0.507 57.732 58.200 0.065 0.000 1.060 357 S CB 1.591 64.845 63.200 0.090 0.000 0.966 357 S HN 0.065 nan 8.310 nan 0.000 0.501 358 E N 1.645 121.887 120.200 0.071 0.000 2.169 358 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 358 E C 1.150 177.800 176.600 0.082 0.000 1.016 358 E CA 1.889 58.328 56.400 0.065 0.000 0.817 358 E CB -0.377 29.363 29.700 0.066 0.000 0.736 358 E HN 0.935 nan 8.360 nan 0.000 0.462 359 Y N 1.108 121.417 120.300 0.015 0.000 2.114 359 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 359 Y C 2.332 178.246 175.900 0.023 0.000 1.143 359 Y CA 1.424 59.535 58.100 0.018 0.000 1.135 359 Y CB -0.614 37.856 38.460 0.017 0.000 0.980 359 Y HN -0.003 nan 8.280 nan 0.000 0.499 360 A N 0.599 123.387 122.820 -0.054 0.000 1.940 360 A HA -0.232 4.087 4.320 -0.000 0.000 0.219 360 A C 2.312 179.813 177.584 -0.138 0.000 1.176 360 A CA 1.951 53.916 52.037 -0.121 0.000 0.631 360 A CB -0.677 18.330 19.000 0.011 0.000 0.814 360 A HN 0.565 nan 8.150 nan 0.000 0.446 361 R N -0.380 120.073 120.500 -0.078 0.000 2.082 361 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 361 R C 2.190 178.439 176.300 -0.086 0.000 1.136 361 R CA 1.748 57.813 56.100 -0.058 0.000 0.935 361 R CB -0.449 29.838 30.300 -0.023 0.000 0.842 361 R HN 0.683 nan 8.270 nan 0.000 0.430 362 E N 0.827 120.960 120.200 -0.112 0.000 2.130 362 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 362 E C 1.963 178.479 176.600 -0.139 0.000 0.998 362 E CA 1.714 58.049 56.400 -0.108 0.000 0.806 362 E CB -0.062 29.579 29.700 -0.099 0.000 0.738 362 E HN 0.466 nan 8.360 nan 0.000 0.459 363 K N 0.481 120.738 120.400 -0.239 0.000 2.062 363 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 363 K C 2.036 178.581 176.600 -0.093 0.000 1.051 363 K CA 0.929 57.097 56.287 -0.198 0.000 0.941 363 K CB -0.228 32.087 32.500 -0.308 0.000 0.719 363 K HN -0.021 nan 8.250 nan 0.000 0.440 364 L N 1.964 123.140 121.223 -0.079 0.000 2.131 364 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 364 L C 2.618 179.477 176.870 -0.018 0.000 1.092 364 L CA 1.475 56.296 54.840 -0.031 0.000 0.759 364 L CB -0.609 41.435 42.059 -0.025 0.000 0.903 364 L HN 0.206 nan 8.230 nan 0.000 0.435 365 Q N 0.169 119.949 119.800 -0.032 0.000 2.077 365 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 365 Q C 2.110 178.104 176.000 -0.009 0.000 0.989 365 Q CA 2.087 57.879 55.803 -0.019 0.000 0.853 365 Q CB -0.396 28.326 28.738 -0.026 0.000 0.907 365 Q HN 0.775 nan 8.270 nan 0.000 0.418 366 E N 0.223 120.410 120.200 -0.020 0.000 2.072 366 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 366 E C 2.070 178.671 176.600 0.002 0.000 0.985 366 E CA 0.643 57.032 56.400 -0.018 0.000 0.801 366 E CB -0.330 29.350 29.700 -0.034 0.000 0.750 366 E HN 0.202 nan 8.360 nan 0.000 0.452 367 R N 0.219 120.738 120.500 0.031 0.000 2.081 367 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 367 R C 2.500 178.868 176.300 0.114 0.000 1.131 367 R CA 1.302 57.471 56.100 0.115 0.000 0.960 367 R CB -0.448 29.925 30.300 0.122 0.000 0.856 367 R HN 0.195 nan 8.270 nan 0.000 0.436 368 L N 0.609 121.868 121.223 0.060 0.000 2.046 368 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 368 L C 2.105 179.006 176.870 0.051 0.000 1.077 368 L CA 2.031 56.900 54.840 0.048 0.000 0.747 368 L CB -0.564 41.509 42.059 0.025 0.000 0.896 368 L HN 0.122 nan 8.230 nan 0.000 0.432 369 A N -1.377 121.465 122.820 0.038 0.000 2.119 369 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 369 A C 2.237 179.847 177.584 0.043 0.000 1.152 369 A CA 1.164 53.221 52.037 0.034 0.000 0.708 369 A CB -0.350 18.659 19.000 0.015 0.000 0.805 369 A HN 0.498 nan 8.150 nan 0.000 0.460 370 K N -0.301 120.130 120.400 0.053 0.000 2.021 370 K HA 0.097 4.417 4.320 -0.000 0.000 0.205 370 K C 1.771 178.464 176.600 0.154 0.000 1.047 370 K CA 1.085 57.408 56.287 0.060 0.000 0.943 370 K CB -0.322 32.159 32.500 -0.032 0.000 0.725 370 K HN 0.405 nan 8.250 nan 0.000 0.439 371 L N 1.309 122.649 121.223 0.195 0.000 1.976 371 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 371 L C 1.425 178.353 176.870 0.097 0.000 1.071 371 L CA 0.621 55.552 54.840 0.151 0.000 0.746 371 L CB -0.581 41.541 42.059 0.105 0.000 0.890 371 L HN 0.121 nan 8.230 nan 0.000 0.432 372 A N -0.650 122.216 122.820 0.077 0.000 2.346 372 A HA 0.416 4.736 4.320 -0.000 0.000 0.252 372 A C 1.425 179.056 177.584 0.080 0.000 1.089 372 A CA 0.348 52.423 52.037 0.064 0.000 0.797 372 A CB -0.038 18.990 19.000 0.047 0.000 1.047 372 A HN 0.575 nan 8.150 nan 0.000 0.494 373 G N -0.405 108.450 108.800 0.091 0.000 2.480 373 G HA2 0.019 3.979 3.960 -0.000 0.000 0.246 373 G HA3 0.019 3.979 3.960 -0.000 0.000 0.246 373 G C 1.888 176.891 174.900 0.171 0.000 1.073 373 G CA 1.415 46.599 45.100 0.139 0.000 0.643 373 G HN 2.957 nan 8.290 nan 0.000 0.525 374 G N -1.639 107.231 108.800 0.118 0.000 2.536 374 G HA2 0.013 3.973 3.960 -0.000 0.000 0.280 374 G HA3 0.013 3.973 3.960 -0.000 0.000 0.280 374 G C 0.203 175.142 174.900 0.064 0.000 1.152 374 G CA 1.277 46.441 45.100 0.106 0.000 0.970 374 G HN 1.762 nan 8.290 nan 0.000 0.549 375 V N 1.432 121.362 119.914 0.027 0.000 2.454 375 V HA 0.657 4.776 4.120 -0.000 0.000 0.267 375 V C 0.696 176.690 176.094 -0.167 0.000 0.993 375 V CA 0.025 62.299 62.300 -0.044 0.000 0.836 375 V CB 0.686 32.503 31.823 -0.010 0.000 1.055 375 V HN 1.944 nan 8.190 nan 0.000 0.452 376 A N 4.451 127.080 122.820 -0.317 0.000 2.537 376 A HA 0.483 4.803 4.320 -0.000 0.000 0.260 376 A C -0.045 177.319 177.584 -0.367 0.000 1.082 376 A CA 0.418 52.066 52.037 -0.650 0.000 0.765 376 A CB 0.083 18.659 19.000 -0.707 0.000 1.019 376 A HN 0.627 nan 8.150 nan 0.000 0.507 377 V N 4.361 124.084 119.914 -0.319 0.000 2.581 377 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 377 V C 0.126 176.133 176.094 -0.145 0.000 1.041 377 V CA -0.363 61.836 62.300 -0.168 0.000 0.907 377 V CB 1.833 33.598 31.823 -0.096 0.000 0.994 377 V HN 0.716 nan 8.190 nan 0.000 0.442 378 I N 4.974 125.488 120.570 -0.094 0.000 2.503 378 I HA 0.365 4.535 4.170 -0.000 0.000 0.277 378 I C 0.116 176.221 176.117 -0.021 0.000 1.078 378 I CA -0.621 60.635 61.300 -0.073 0.000 1.184 378 I CB 0.606 38.552 38.000 -0.089 0.000 1.353 378 I HN 0.463 nan 8.210 nan 0.000 0.490 379 R N 4.113 124.605 120.500 -0.013 0.000 2.446 379 R HA 0.173 4.513 4.340 -0.000 0.000 0.314 379 R C -0.466 175.859 176.300 0.042 0.000 1.003 379 R CA -0.151 55.958 56.100 0.014 0.000 1.018 379 R CB 0.682 30.988 30.300 0.010 0.000 0.945 379 R HN 0.245 nan 8.270 nan 0.000 0.419 380 V N 3.123 123.085 119.914 0.080 0.000 2.406 380 V HA 0.297 4.417 4.120 -0.000 0.000 0.272 380 V C 1.056 177.215 176.094 0.108 0.000 1.043 380 V CA -0.585 61.804 62.300 0.148 0.000 0.915 380 V CB 1.465 33.413 31.823 0.208 0.000 0.988 380 V HN 0.841 nan 8.190 nan 0.000 0.466 381 G N 3.283 112.153 108.800 0.116 0.000 2.356 381 G HA2 0.716 4.675 3.960 -0.000 0.000 0.298 381 G HA3 0.716 4.675 3.960 -0.000 0.000 0.298 381 G C -0.184 174.760 174.900 0.073 0.000 1.145 381 G CA 0.398 45.544 45.100 0.077 0.000 0.850 381 G HN 1.081 nan 8.290 nan 0.000 0.487 382 A N 0.962 123.807 122.820 0.041 0.000 3.005 382 A HA 0.939 5.259 4.320 -0.000 0.000 0.282 382 A C 0.553 178.146 177.584 0.015 0.000 1.218 382 A CA 0.349 52.399 52.037 0.023 0.000 0.703 382 A CB 0.730 19.733 19.000 0.005 0.000 1.387 382 A HN 1.805 nan 8.150 nan 0.000 0.592 383 A N -1.929 120.895 122.820 0.006 0.000 2.167 383 A HA 0.528 4.848 4.320 -0.000 0.000 0.184 383 A C 0.565 178.149 177.584 -0.001 0.000 1.675 383 A CA 1.305 53.344 52.037 0.004 0.000 1.215 383 A CB 0.033 19.036 19.000 0.004 0.000 1.427 383 A HN 0.815 nan 8.150 nan 0.000 0.457 384 T N -0.791 113.759 114.554 -0.006 0.000 2.924 384 T HA 0.350 4.700 4.350 -0.000 0.000 0.291 384 T C 0.624 175.317 174.700 -0.013 0.000 1.045 384 T CA -0.208 61.887 62.100 -0.010 0.000 1.015 384 T CB 2.254 71.114 68.868 -0.013 0.000 1.103 384 T HN 0.303 nan 8.240 nan 0.000 0.496 385 E N 0.590 120.782 120.200 -0.013 0.000 2.204 385 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 385 E C 1.326 177.913 176.600 -0.022 0.000 0.989 385 E CA 1.166 57.557 56.400 -0.015 0.000 0.824 385 E CB 0.130 29.822 29.700 -0.013 0.000 0.756 385 E HN 0.644 nan 8.360 nan 0.000 0.477 386 T N 0.456 114.996 114.554 -0.024 0.000 2.668 386 T HA -0.171 4.179 4.350 -0.000 0.000 0.258 386 T C 1.671 176.347 174.700 -0.040 0.000 1.051 386 T CA 1.194 63.274 62.100 -0.032 0.000 1.155 386 T CB -0.401 68.449 68.868 -0.029 0.000 0.864 386 T HN 0.288 nan 8.240 nan 0.000 0.413 387 E N 0.546 120.725 120.200 -0.037 0.000 2.187 387 E HA -0.215 4.135 4.350 -0.000 0.000 0.199 387 E C 2.069 178.632 176.600 -0.061 0.000 1.004 387 E CA 0.958 57.331 56.400 -0.046 0.000 0.813 387 E CB -0.180 29.501 29.700 -0.031 0.000 0.736 387 E HN 0.270 nan 8.360 nan 0.000 0.468 388 L N 1.223 122.420 121.223 -0.044 0.000 2.007 388 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 388 L C 2.130 178.966 176.870 -0.056 0.000 1.073 388 L CA 1.894 56.708 54.840 -0.043 0.000 0.744 388 L CB -0.343 41.705 42.059 -0.018 0.000 0.898 388 L HN -0.052 nan 8.230 nan 0.000 0.435 389 K N -0.554 119.820 120.400 -0.043 0.000 2.144 389 K HA -0.268 4.052 4.320 -0.000 0.000 0.209 389 K C 2.091 178.662 176.600 -0.049 0.000 1.047 389 K CA 1.781 58.045 56.287 -0.039 0.000 0.927 389 K CB -0.299 32.174 32.500 -0.046 0.000 0.716 389 K HN 0.464 nan 8.250 nan 0.000 0.454 390 E N 1.475 121.628 120.200 -0.078 0.000 2.015 390 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 390 E C 1.832 178.324 176.600 -0.180 0.000 0.991 390 E CA 1.338 57.680 56.400 -0.096 0.000 0.802 390 E CB 0.139 29.780 29.700 -0.099 0.000 0.759 390 E HN 0.225 nan 8.360 nan 0.000 0.447 391 K N 0.633 120.853 120.400 -0.300 0.000 2.103 391 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 391 K C 2.232 178.469 176.600 -0.604 0.000 1.048 391 K CA 1.384 57.245 56.287 -0.709 0.000 0.930 391 K CB -0.182 31.930 32.500 -0.646 0.000 0.716 391 K HN -0.101 nan 8.250 nan 0.000 0.444 392 K N 1.152 121.423 120.400 -0.216 0.000 2.001 392 K HA -0.251 4.069 4.320 -0.000 0.000 0.214 392 K C 2.004 178.596 176.600 -0.012 0.000 1.050 392 K CA 2.028 58.287 56.287 -0.047 0.000 0.934 392 K CB -0.680 31.822 32.500 0.003 0.000 0.718 392 K HN 0.210 nan 8.250 nan 0.000 0.443 393 H N -0.081 118.927 119.070 -0.103 0.000 2.267 393 H HA -0.033 4.523 4.556 -0.000 0.000 0.297 393 H C 2.227 177.514 175.328 -0.068 0.000 1.080 393 H CA 2.586 58.592 56.048 -0.069 0.000 1.278 393 H CB -0.165 29.554 29.762 -0.071 0.000 1.365 393 H HN 0.269 nan 8.280 nan 0.000 0.489 394 R N -0.479 119.969 120.500 -0.087 0.000 2.115 394 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 394 R C 2.416 178.712 176.300 -0.006 0.000 1.133 394 R CA 2.360 58.389 56.100 -0.117 0.000 0.935 394 R CB -0.619 29.560 30.300 -0.201 0.000 0.853 394 R HN 0.417 nan 8.270 nan 0.000 0.433 395 F N 0.133 120.057 119.950 -0.043 0.000 2.134 395 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 395 F C 2.629 178.385 175.800 -0.073 0.000 1.097 395 F CA 0.992 58.963 58.000 -0.048 0.000 1.264 395 F CB -0.232 38.750 39.000 -0.031 0.000 1.001 395 F HN 0.322 nan 8.300 nan 0.000 0.479 396 E N 0.726 120.979 120.200 0.090 0.000 2.051 396 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 396 E C 1.691 178.251 176.600 -0.065 0.000 0.991 396 E CA 1.594 57.990 56.400 -0.006 0.000 0.799 396 E CB -0.009 29.664 29.700 -0.046 0.000 0.748 396 E HN 0.298 nan 8.360 nan 0.000 0.449 397 D N 0.169 120.481 120.400 -0.147 0.000 2.084 397 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 397 D C 1.901 178.165 176.300 -0.059 0.000 0.990 397 D CA 1.357 55.268 54.000 -0.147 0.000 0.826 397 D CB -0.466 40.198 40.800 -0.226 0.000 0.971 397 D HN 0.276 nan 8.370 nan 0.000 0.453 398 A N 1.025 123.837 122.820 -0.014 0.000 1.958 398 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 398 A C 2.162 179.743 177.584 -0.004 0.000 1.178 398 A CA 1.414 53.460 52.037 0.014 0.000 0.642 398 A CB -0.769 18.276 19.000 0.075 0.000 0.816 398 A HN 0.255 nan 8.150 nan 0.000 0.453 399 L N 0.648 121.867 121.223 -0.006 0.000 1.973 399 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 399 L C 1.990 178.843 176.870 -0.028 0.000 1.073 399 L CA 2.485 57.312 54.840 -0.022 0.000 0.746 399 L CB -0.992 41.053 42.059 -0.024 0.000 0.891 399 L HN 0.410 nan 8.230 nan 0.000 0.433 400 N N 0.375 119.054 118.700 -0.035 0.000 2.091 400 N HA -0.246 4.494 4.740 -0.000 0.000 0.193 400 N C 1.770 177.262 175.510 -0.029 0.000 1.021 400 N CA 1.738 54.767 53.050 -0.036 0.000 0.862 400 N CB -0.558 37.902 38.487 -0.045 0.000 1.018 400 N HN 0.575 nan 8.380 nan 0.000 0.429 401 A N 1.223 124.026 122.820 -0.029 0.000 1.841 401 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 401 A C 2.473 180.046 177.584 -0.018 0.000 1.199 401 A CA 2.508 54.532 52.037 -0.023 0.000 0.621 401 A CB -1.362 17.625 19.000 -0.021 0.000 0.835 401 A HN 0.350 nan 8.150 nan 0.000 0.445 402 T N 0.159 114.702 114.554 -0.018 0.000 2.665 402 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 402 T C 1.993 176.684 174.700 -0.016 0.000 1.035 402 T CA 1.674 63.765 62.100 -0.016 0.000 1.151 402 T CB -0.363 68.493 68.868 -0.018 0.000 0.862 402 T HN 0.496 nan 8.240 nan 0.000 0.438 403 R N 1.162 121.651 120.500 -0.019 0.000 2.073 403 R HA 0.012 4.352 4.340 -0.000 0.000 0.234 403 R C 2.891 179.183 176.300 -0.014 0.000 1.134 403 R CA 1.419 57.508 56.100 -0.018 0.000 0.952 403 R CB -0.665 29.622 30.300 -0.023 0.000 0.850 403 R HN 0.430 nan 8.270 nan 0.000 0.433 404 A N 1.562 124.373 122.820 -0.015 0.000 1.898 404 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 404 A C 2.456 180.035 177.584 -0.009 0.000 1.181 404 A CA 1.519 53.549 52.037 -0.012 0.000 0.620 404 A CB -0.600 18.392 19.000 -0.013 0.000 0.819 404 A HN 0.380 nan 8.150 nan 0.000 0.442 405 A N -0.479 122.335 122.820 -0.010 0.000 1.948 405 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 405 A C 2.183 179.764 177.584 -0.005 0.000 1.177 405 A CA 2.032 54.065 52.037 -0.007 0.000 0.636 405 A CB -0.890 18.105 19.000 -0.008 0.000 0.815 405 A HN 0.445 nan 8.150 nan 0.000 0.449 406 V N -0.155 119.756 119.914 -0.006 0.000 2.548 406 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 406 V C 2.314 178.407 176.094 -0.002 0.000 1.055 406 V CA 1.974 64.272 62.300 -0.003 0.000 1.065 406 V CB -0.762 31.059 31.823 -0.004 0.000 0.681 406 V HN 0.640 nan 8.190 nan 0.000 0.462 407 E N 0.291 120.490 120.200 -0.002 0.000 2.051 407 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 407 E C 1.422 178.023 176.600 0.002 0.000 0.991 407 E CA 1.451 57.851 56.400 -0.000 0.000 0.799 407 E CB -0.009 29.691 29.700 -0.001 0.000 0.748 407 E HN 0.651 nan 8.360 nan 0.000 0.449 408 E N -0.715 119.485 120.200 0.001 0.000 2.759 408 E HA 0.235 4.585 4.350 -0.000 0.000 0.220 408 E C 0.003 176.604 176.600 0.002 0.000 0.974 408 E CA 0.056 56.458 56.400 0.002 0.000 1.148 408 E CB 1.546 31.247 29.700 0.002 0.000 1.059 408 E HN 0.248 nan 8.360 nan 0.000 0.493 409 G N 2.026 110.826 108.800 0.001 0.000 2.782 409 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.228 409 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.228 409 G C -0.246 174.654 174.900 -0.000 0.000 1.372 409 G CA -0.235 44.865 45.100 0.001 0.000 0.862 409 G HN 0.263 nan 8.290 nan 0.000 0.547 410 I N -2.316 118.254 120.570 0.000 0.000 2.740 410 I HA 0.906 5.076 4.170 -0.000 0.000 0.303 410 I C 0.404 176.522 176.117 0.001 0.000 1.044 410 I CA -1.325 59.974 61.300 -0.001 0.000 1.064 410 I CB 2.097 40.095 38.000 -0.003 0.000 1.249 410 I HN 1.231 nan 8.210 nan 0.000 0.433 411 V N 0.430 120.344 119.914 -0.000 0.000 3.102 411 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 411 V C -2.847 173.246 176.094 -0.001 0.000 1.135 411 V CA -2.677 59.625 62.300 0.003 0.000 1.022 411 V CB 1.277 33.103 31.823 0.004 0.000 1.056 411 V HN 0.627 nan 8.190 nan 0.000 0.436 412 P HA 0.271 nan 4.420 nan 0.000 0.265 412 P C 0.342 177.634 177.300 -0.013 0.000 1.193 412 P CA 0.937 64.035 63.100 -0.004 0.000 0.765 412 P CB 0.491 32.196 31.700 0.007 0.000 0.823 413 G N 1.711 110.495 108.800 -0.027 0.000 2.509 413 G HA2 0.441 4.401 3.960 -0.000 0.000 0.269 413 G HA3 0.441 4.401 3.960 -0.000 0.000 0.269 413 G C 0.603 175.476 174.900 -0.044 0.000 1.416 413 G CA -0.405 44.675 45.100 -0.033 0.000 1.052 413 G HN 0.774 nan 8.290 nan 0.000 0.542 414 G N -1.976 106.793 108.800 -0.051 0.000 2.249 414 G HA2 0.206 4.166 3.960 -0.000 0.000 0.273 414 G HA3 0.206 4.166 3.960 -0.000 0.000 0.273 414 G C 1.559 176.439 174.900 -0.032 0.000 1.036 414 G CA 1.196 46.261 45.100 -0.059 0.000 0.824 414 G HN 2.461 nan 8.290 nan 0.000 0.504 415 G N -2.511 106.278 108.800 -0.019 0.000 2.302 415 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 415 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 415 G C 1.605 176.507 174.900 0.003 0.000 0.995 415 G CA 1.405 46.502 45.100 -0.005 0.000 0.622 415 G HN 1.521 nan 8.290 nan 0.000 0.538 416 V N 0.837 120.750 119.914 -0.001 0.000 2.317 416 V HA -0.275 3.844 4.120 -0.000 0.000 0.251 416 V C 2.957 179.065 176.094 0.023 0.000 1.065 416 V CA 3.204 65.513 62.300 0.014 0.000 1.049 416 V CB -1.074 30.752 31.823 0.005 0.000 0.651 416 V HN 0.586 nan 8.190 nan 0.000 0.450 417 T N 0.015 114.577 114.554 0.014 0.000 2.708 417 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 417 T C 1.879 176.590 174.700 0.018 0.000 1.037 417 T CA 1.462 63.573 62.100 0.017 0.000 1.146 417 T CB -0.299 68.575 68.868 0.011 0.000 0.865 417 T HN 0.319 nan 8.240 nan 0.000 0.435 418 L N 0.466 121.698 121.223 0.014 0.000 2.127 418 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 418 L C 2.406 179.288 176.870 0.020 0.000 1.089 418 L CA 1.010 55.859 54.840 0.015 0.000 0.757 418 L CB -0.537 41.529 42.059 0.011 0.000 0.899 418 L HN 0.290 nan 8.230 nan 0.000 0.434 419 L N -0.894 120.345 121.223 0.026 0.000 2.027 419 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 419 L C 2.649 179.541 176.870 0.036 0.000 1.074 419 L CA 0.880 55.740 54.840 0.033 0.000 0.745 419 L CB -0.549 41.537 42.059 0.045 0.000 0.898 419 L HN 0.233 nan 8.230 nan 0.000 0.433 420 R N 0.351 120.875 120.500 0.039 0.000 2.293 420 R HA -0.065 4.275 4.340 -0.000 0.000 0.219 420 R C 1.986 178.303 176.300 0.029 0.000 1.091 420 R CA 1.055 57.178 56.100 0.039 0.000 1.004 420 R CB -0.853 29.472 30.300 0.041 0.000 0.865 420 R HN 0.353 nan 8.270 nan 0.000 0.469 421 A N 0.760 123.594 122.820 0.024 0.000 2.072 421 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 421 A C 2.170 179.765 177.584 0.018 0.000 1.156 421 A CA 0.282 52.331 52.037 0.019 0.000 0.701 421 A CB -0.233 18.776 19.000 0.016 0.000 0.816 421 A HN 0.146 nan 8.150 nan 0.000 0.458 422 I N 0.740 121.322 120.570 0.020 0.000 2.118 422 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 422 I C 2.754 178.881 176.117 0.017 0.000 1.070 422 I CA 1.778 63.089 61.300 0.019 0.000 1.327 422 I CB -0.585 37.428 38.000 0.022 0.000 1.034 422 I HN 0.354 nan 8.210 nan 0.000 0.405 423 S N 1.383 117.095 115.700 0.019 0.000 2.381 423 S HA -0.322 4.148 4.470 -0.000 0.000 0.230 423 S C 2.250 176.859 174.600 0.014 0.000 1.052 423 S CA 1.550 59.760 58.200 0.017 0.000 1.068 423 S CB -0.895 62.317 63.200 0.019 0.000 0.918 423 S HN 0.584 nan 8.310 nan 0.000 0.448 424 A N 1.380 124.209 122.820 0.014 0.000 1.940 424 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 424 A C 2.421 180.011 177.584 0.010 0.000 1.176 424 A CA 1.776 53.820 52.037 0.012 0.000 0.631 424 A CB -1.008 18.000 19.000 0.012 0.000 0.814 424 A HN 0.412 nan 8.150 nan 0.000 0.446 425 V N 0.158 120.078 119.914 0.011 0.000 2.358 425 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 425 V C 2.429 178.528 176.094 0.009 0.000 1.047 425 V CA 1.867 64.172 62.300 0.010 0.000 1.035 425 V CB -0.864 30.965 31.823 0.010 0.000 0.658 425 V HN 0.508 nan 8.190 nan 0.000 0.452 426 E N 0.253 120.459 120.200 0.010 0.000 2.049 426 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 426 E C 2.296 178.901 176.600 0.008 0.000 1.007 426 E CA 1.386 57.791 56.400 0.009 0.000 0.809 426 E CB -0.335 29.371 29.700 0.010 0.000 0.749 426 E HN 0.594 nan 8.360 nan 0.000 0.450 427 E N 0.734 120.938 120.200 0.008 0.000 2.130 427 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 427 E C 2.236 178.840 176.600 0.006 0.000 0.998 427 E CA 0.605 57.009 56.400 0.007 0.000 0.806 427 E CB -0.373 29.332 29.700 0.007 0.000 0.738 427 E HN 0.155 nan 8.360 nan 0.000 0.459 428 L N 0.954 122.181 121.223 0.007 0.000 2.027 428 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 428 L C 2.252 179.126 176.870 0.006 0.000 1.074 428 L CA 1.394 56.237 54.840 0.006 0.000 0.745 428 L CB -0.548 41.515 42.059 0.006 0.000 0.898 428 L HN 0.030 nan 8.230 nan 0.000 0.433 429 I N -0.190 120.383 120.570 0.006 0.000 2.194 429 I HA -0.370 3.800 4.170 -0.000 0.000 0.246 429 I C 2.333 178.453 176.117 0.005 0.000 1.093 429 I CA 1.666 62.969 61.300 0.006 0.000 1.355 429 I CB -0.538 37.466 38.000 0.006 0.000 1.046 429 I HN 0.286 nan 8.210 nan 0.000 0.413 430 K N 0.914 121.317 120.400 0.005 0.000 2.360 430 K HA -0.172 4.148 4.320 -0.000 0.000 0.201 430 K C 1.490 178.093 176.600 0.004 0.000 1.046 430 K CA 1.145 57.435 56.287 0.004 0.000 0.940 430 K CB -0.107 32.396 32.500 0.004 0.000 0.748 430 K HN 0.414 nan 8.250 nan 0.000 0.465 431 K N 0.017 120.419 120.400 0.004 0.000 2.358 431 K HA 0.205 4.525 4.320 -0.000 0.000 0.200 431 K C 0.103 176.705 176.600 0.004 0.000 1.030 431 K CA -0.050 56.240 56.287 0.004 0.000 1.097 431 K CB 0.542 33.045 32.500 0.004 0.000 0.862 431 K HN -0.015 nan 8.250 nan 0.000 0.534 432 L N 0.721 121.946 121.223 0.004 0.000 2.322 432 L HA 0.450 4.790 4.340 -0.000 0.000 0.269 432 L C -0.416 176.457 176.870 0.004 0.000 1.012 432 L CA -0.757 54.085 54.840 0.004 0.000 0.815 432 L CB 1.845 43.906 42.059 0.004 0.000 1.295 432 L HN 0.045 nan 8.230 nan 0.000 0.438 433 E N 0.050 120.253 120.200 0.004 0.000 2.412 433 E HA 0.568 4.918 4.350 -0.000 0.000 0.279 433 E C -0.416 176.186 176.600 0.004 0.000 0.984 433 E CA 0.038 56.440 56.400 0.003 0.000 0.788 433 E CB 2.263 31.965 29.700 0.003 0.000 1.277 433 E HN 0.748 nan 8.360 nan 0.000 0.455 434 G N 2.430 111.232 108.800 0.004 0.000 2.593 434 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 434 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 434 G C 0.292 175.195 174.900 0.004 0.000 1.312 434 G CA 0.165 45.268 45.100 0.004 0.000 0.896 434 G HN 0.667 nan 8.290 nan 0.000 0.574 435 D N 0.109 120.511 120.400 0.004 0.000 2.178 435 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 435 D C 2.070 178.373 176.300 0.005 0.000 0.980 435 D CA 1.468 55.471 54.000 0.005 0.000 0.842 435 D CB -0.108 40.695 40.800 0.005 0.000 0.948 435 D HN 0.626 nan 8.370 nan 0.000 0.472 436 E N 0.598 120.800 120.200 0.005 0.000 2.085 436 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 436 E C 2.001 178.603 176.600 0.005 0.000 0.994 436 E CA 1.130 57.533 56.400 0.005 0.000 0.801 436 E CB 0.045 29.747 29.700 0.004 0.000 0.743 436 E HN 0.174 nan 8.360 nan 0.000 0.453 437 A N -0.028 122.795 122.820 0.005 0.000 1.969 437 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 437 A C 2.326 179.913 177.584 0.005 0.000 1.169 437 A CA 1.829 53.869 52.037 0.005 0.000 0.635 437 A CB -0.785 18.218 19.000 0.005 0.000 0.810 437 A HN 0.306 nan 8.150 nan 0.000 0.445 438 T N -0.107 114.450 114.554 0.005 0.000 2.708 438 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 438 T C 2.019 176.722 174.700 0.006 0.000 1.037 438 T CA 1.557 63.661 62.100 0.006 0.000 1.146 438 T CB -0.741 68.131 68.868 0.006 0.000 0.865 438 T HN 0.587 nan 8.240 nan 0.000 0.435 439 G N 1.340 110.143 108.800 0.006 0.000 2.491 439 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G C 1.869 176.772 174.900 0.006 0.000 1.180 439 G CA 1.116 46.219 45.100 0.006 0.000 0.774 439 G HN 0.594 nan 8.290 nan 0.000 0.562 440 A N 0.819 123.643 122.820 0.006 0.000 1.917 440 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 440 A C 2.320 179.908 177.584 0.007 0.000 1.182 440 A CA 2.192 54.233 52.037 0.006 0.000 0.633 440 A CB -0.424 18.580 19.000 0.006 0.000 0.819 440 A HN 0.428 nan 8.150 nan 0.000 0.448 441 K N -0.573 119.831 120.400 0.007 0.000 2.097 441 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 441 K C 1.819 178.423 176.600 0.007 0.000 1.049 441 K CA 1.388 57.679 56.287 0.007 0.000 0.933 441 K CB -0.359 32.145 32.500 0.007 0.000 0.717 441 K HN 0.564 nan 8.250 nan 0.000 0.442 442 I N 0.673 121.247 120.570 0.007 0.000 2.179 442 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 442 I C 2.255 178.377 176.117 0.008 0.000 1.088 442 I CA 1.183 62.488 61.300 0.007 0.000 1.357 442 I CB -0.373 37.631 38.000 0.007 0.000 1.051 442 I HN -0.060 nan 8.210 nan 0.000 0.409 443 V N 0.947 120.865 119.914 0.007 0.000 2.343 443 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 443 V C 2.659 178.758 176.094 0.009 0.000 1.051 443 V CA 2.064 64.369 62.300 0.008 0.000 1.036 443 V CB -0.829 30.999 31.823 0.008 0.000 0.654 443 V HN 0.440 nan 8.190 nan 0.000 0.451 444 R N 0.170 120.676 120.500 0.009 0.000 2.105 444 R HA -0.259 4.081 4.340 -0.000 0.000 0.239 444 R C 2.430 178.737 176.300 0.011 0.000 1.135 444 R CA 2.106 58.212 56.100 0.011 0.000 0.967 444 R CB -0.232 30.074 30.300 0.010 0.000 0.861 444 R HN 0.382 nan 8.270 nan 0.000 0.442 445 R N 0.697 121.203 120.500 0.010 0.000 2.062 445 R HA 0.038 4.378 4.340 -0.000 0.000 0.229 445 R C 1.988 178.294 176.300 0.010 0.000 1.128 445 R CA 1.912 58.018 56.100 0.010 0.000 0.960 445 R CB -0.946 29.360 30.300 0.009 0.000 0.855 445 R HN 0.297 nan 8.270 nan 0.000 0.432 446 A N 1.178 124.004 122.820 0.009 0.000 1.873 446 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 446 A C 2.291 179.880 177.584 0.010 0.000 1.193 446 A CA 1.853 53.895 52.037 0.009 0.000 0.629 446 A CB -0.944 18.061 19.000 0.008 0.000 0.826 446 A HN 0.392 nan 8.150 nan 0.000 0.447 447 L N -0.671 120.559 121.223 0.011 0.000 2.283 447 L HA -0.289 4.051 4.340 -0.000 0.000 0.217 447 L C 2.395 179.273 176.870 0.014 0.000 1.104 447 L CA 1.770 56.617 54.840 0.012 0.000 0.772 447 L CB -0.640 41.428 42.059 0.014 0.000 0.899 447 L HN 0.532 nan 8.230 nan 0.000 0.439 448 E N -0.827 119.381 120.200 0.014 0.000 2.230 448 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 448 E C 2.016 178.623 176.600 0.013 0.000 0.987 448 E CA 0.163 56.572 56.400 0.015 0.000 0.841 448 E CB 0.120 29.829 29.700 0.015 0.000 0.783 448 E HN 0.390 nan 8.360 nan 0.000 0.481 449 E N 0.552 120.759 120.200 0.011 0.000 2.033 449 E HA -0.167 4.182 4.350 -0.000 0.000 0.199 449 E C -0.662 175.944 176.600 0.009 0.000 1.011 449 E CA 1.391 57.797 56.400 0.010 0.000 0.815 449 E CB -1.657 28.048 29.700 0.009 0.000 0.755 449 E HN 0.234 nan 8.360 nan 0.000 0.451 450 P HA -0.201 nan 4.420 nan 0.000 0.213 450 P C 1.398 178.702 177.300 0.006 0.000 1.176 450 P CA 2.521 65.624 63.100 0.006 0.000 0.919 450 P CB -0.248 31.455 31.700 0.004 0.000 0.791 451 A N -0.499 122.326 122.820 0.007 0.000 1.873 451 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 451 A C 2.415 180.005 177.584 0.010 0.000 1.193 451 A CA 2.185 54.227 52.037 0.009 0.000 0.629 451 A CB -1.373 17.636 19.000 0.014 0.000 0.826 451 A HN 0.016 nan 8.150 nan 0.000 0.447 452 R N -1.218 119.288 120.500 0.009 0.000 2.080 452 R HA -0.227 4.113 4.340 -0.000 0.000 0.236 452 R C 2.520 178.829 176.300 0.015 0.000 1.137 452 R CA 2.016 58.121 56.100 0.008 0.000 0.943 452 R CB -0.314 29.992 30.300 0.010 0.000 0.846 452 R HN 0.586 nan 8.270 nan 0.000 0.431 453 Q N 0.723 120.533 119.800 0.015 0.000 2.135 453 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 453 Q C 1.856 177.870 176.000 0.023 0.000 0.981 453 Q CA 1.803 57.617 55.803 0.019 0.000 0.856 453 Q CB -0.211 28.535 28.738 0.013 0.000 0.902 453 Q HN 0.454 nan 8.270 nan 0.000 0.425 454 I N -0.181 120.400 120.570 0.017 0.000 2.090 454 I HA -0.315 3.855 4.170 -0.000 0.000 0.236 454 I C 2.247 178.385 176.117 0.036 0.000 1.064 454 I CA 1.131 62.440 61.300 0.014 0.000 1.324 454 I CB -0.702 37.297 38.000 -0.002 0.000 1.044 454 I HN 0.305 nan 8.210 nan 0.000 0.399 455 A N 0.216 123.064 122.820 0.048 0.000 1.917 455 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 455 A C 2.179 179.842 177.584 0.132 0.000 1.182 455 A CA 2.339 54.420 52.037 0.072 0.000 0.633 455 A CB -0.706 18.277 19.000 -0.027 0.000 0.819 455 A HN 0.459 nan 8.150 nan 0.000 0.448 456 E N 0.311 120.564 120.200 0.088 0.000 2.031 456 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 456 E C 1.929 178.590 176.600 0.102 0.000 0.994 456 E CA 1.590 58.046 56.400 0.092 0.000 0.800 456 E CB -0.193 29.538 29.700 0.052 0.000 0.752 456 E HN 0.598 nan 8.360 nan 0.000 0.447 457 N N 0.102 118.847 118.700 0.074 0.000 2.137 457 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 457 N C 1.441 177.009 175.510 0.097 0.000 1.017 457 N CA 1.356 54.445 53.050 0.064 0.000 0.859 457 N CB -0.397 38.114 38.487 0.039 0.000 1.002 457 N HN 0.243 nan 8.380 nan 0.000 0.428 458 A N 0.066 122.970 122.820 0.139 0.000 2.209 458 A HA 0.287 4.607 4.320 -0.000 0.000 0.212 458 A C 1.326 179.142 177.584 0.386 0.000 1.158 458 A CA 0.999 53.165 52.037 0.216 0.000 0.742 458 A CB -0.421 18.659 19.000 0.133 0.000 0.790 458 A HN 0.365 nan 8.150 nan 0.000 0.472 459 G N -2.313 106.668 108.800 0.301 0.000 2.255 459 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.239 459 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.239 459 G C -0.375 174.574 174.900 0.081 0.000 1.083 459 G CA 0.193 45.389 45.100 0.161 0.000 0.826 459 G HN 0.424 nan 8.290 nan 0.000 0.493 460 Y N -0.836 119.484 120.300 0.034 0.000 2.634 460 Y HA 0.573 5.123 4.550 -0.000 0.000 0.340 460 Y C 0.570 176.453 175.900 -0.028 0.000 1.058 460 Y CA -1.597 56.506 58.100 0.004 0.000 1.081 460 Y CB 1.071 39.524 38.460 -0.012 0.000 1.295 460 Y HN 0.142 nan 8.280 nan 0.000 0.487 461 E N 0.983 121.246 120.200 0.104 0.000 1.944 461 E HA 0.150 4.499 4.350 -0.000 0.000 0.272 461 E C 0.780 177.391 176.600 0.018 0.000 1.195 461 E CA 0.100 56.525 56.400 0.041 0.000 0.926 461 E CB 0.684 30.395 29.700 0.018 0.000 1.051 461 E HN 0.953 nan 8.360 nan 0.000 0.404 462 G N 3.092 111.905 108.800 0.022 0.000 2.721 462 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.218 462 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.218 462 G C 1.641 176.535 174.900 -0.010 0.000 1.265 462 G CA 1.345 46.446 45.100 0.001 0.000 0.796 462 G HN 0.590 nan 8.290 nan 0.000 0.620 463 S N 0.182 115.883 115.700 0.002 0.000 2.392 463 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 463 S C 2.270 176.872 174.600 0.005 0.000 1.041 463 S CA 1.910 60.113 58.200 0.005 0.000 1.026 463 S CB -0.768 62.437 63.200 0.007 0.000 0.845 463 S HN 0.192 nan 8.310 nan 0.000 0.465 464 V N 2.195 122.110 119.914 0.000 0.000 2.261 464 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 464 V C 2.498 178.598 176.094 0.010 0.000 1.047 464 V CA 1.983 64.285 62.300 0.004 0.000 1.015 464 V CB -0.740 31.086 31.823 0.005 0.000 0.642 464 V HN 0.478 nan 8.190 nan 0.000 0.446 465 I N -0.088 120.461 120.570 -0.035 0.000 2.208 465 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 465 I C 2.340 178.484 176.117 0.045 0.000 1.097 465 I CA 1.309 62.578 61.300 -0.053 0.000 1.363 465 I CB -0.396 37.335 38.000 -0.448 0.000 1.051 465 I HN 0.152 nan 8.210 nan 0.000 0.413 466 V N 0.264 120.184 119.914 0.010 0.000 2.568 466 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 466 V C 2.349 178.483 176.094 0.067 0.000 1.072 466 V CA 1.750 64.075 62.300 0.041 0.000 1.084 466 V CB -0.710 31.127 31.823 0.023 0.000 0.676 466 V HN 0.437 nan 8.190 nan 0.000 0.469 467 Q N 0.308 120.141 119.800 0.055 0.000 2.033 467 Q HA -0.128 4.212 4.340 -0.000 0.000 0.196 467 Q C 2.297 178.337 176.000 0.067 0.000 0.970 467 Q CA 1.619 57.451 55.803 0.048 0.000 0.828 467 Q CB -0.402 28.351 28.738 0.025 0.000 0.895 467 Q HN 0.695 nan 8.270 nan 0.000 0.440 468 Q N -0.341 119.501 119.800 0.069 0.000 2.297 468 Q HA -0.144 4.196 4.340 -0.000 0.000 0.208 468 Q C 1.969 178.076 176.000 0.178 0.000 0.981 468 Q CA 1.187 57.008 55.803 0.030 0.000 0.876 468 Q CB -0.099 28.558 28.738 -0.135 0.000 0.921 468 Q HN 0.437 nan 8.270 nan 0.000 0.446 469 I N 0.193 120.939 120.570 0.294 0.000 2.235 469 I HA -0.230 3.940 4.170 -0.000 0.000 0.241 469 I C 1.968 178.238 176.117 0.255 0.000 1.085 469 I CA 0.866 62.387 61.300 0.368 0.000 1.378 469 I CB -0.124 38.031 38.000 0.258 0.000 1.076 469 I HN 0.165 nan 8.210 nan 0.000 0.415 470 L N 0.732 122.046 121.223 0.152 0.000 2.450 470 L HA -0.151 4.189 4.340 -0.000 0.000 0.224 470 L C 2.660 179.574 176.870 0.074 0.000 1.149 470 L CA 0.662 55.562 54.840 0.100 0.000 0.816 470 L CB -0.608 41.491 42.059 0.067 0.000 0.932 470 L HN 0.245 nan 8.230 nan 0.000 0.449 471 A N -0.278 122.586 122.820 0.073 0.000 1.855 471 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 471 A C 1.268 178.846 177.584 -0.009 0.000 1.191 471 A CA 0.594 52.642 52.037 0.019 0.000 0.613 471 A CB -0.265 18.732 19.000 -0.005 0.000 0.829 471 A HN 0.292 nan 8.150 nan 0.000 0.442 472 E N 0.273 120.467 120.200 -0.010 0.000 2.328 472 E HA 0.248 4.598 4.350 -0.000 0.000 0.265 472 E C 0.404 176.992 176.600 -0.020 0.000 1.057 472 E CA 0.641 56.973 56.400 -0.114 0.000 0.916 472 E CB 0.529 30.013 29.700 -0.360 0.000 0.993 472 E HN 0.281 nan 8.360 nan 0.000 0.446 473 T N 4.089 118.620 114.554 -0.038 0.000 2.990 473 T HA 0.088 4.438 4.350 -0.000 0.000 0.249 473 T C 1.213 175.908 174.700 -0.009 0.000 1.039 473 T CA -0.101 61.995 62.100 -0.006 0.000 1.036 473 T CB 0.164 69.027 68.868 -0.008 0.000 0.994 473 T HN 0.289 nan 8.240 nan 0.000 0.489 474 K N 1.843 122.221 120.400 -0.037 0.000 1.965 474 K HA -0.054 4.266 4.320 -0.000 0.000 0.220 474 K C 0.957 177.557 176.600 -0.000 0.000 1.046 474 K CA 1.164 57.435 56.287 -0.027 0.000 0.974 474 K CB -0.168 32.301 32.500 -0.053 0.000 0.738 474 K HN 0.112 nan 8.250 nan 0.000 0.444 475 N N 1.038 119.742 118.700 0.008 0.000 2.462 475 N HA 0.072 4.812 4.740 -0.000 0.000 0.242 475 N C -2.068 173.505 175.510 0.105 0.000 1.010 475 N CA -1.991 51.093 53.050 0.056 0.000 0.939 475 N CB 1.349 39.879 38.487 0.073 0.000 1.127 475 N HN -0.052 nan 8.380 nan 0.000 0.509 476 P HA -0.137 nan 4.420 nan 0.000 0.223 476 P C 0.304 177.671 177.300 0.110 0.000 1.144 476 P CA 0.987 64.143 63.100 0.093 0.000 0.783 476 P CB 0.335 32.070 31.700 0.059 0.000 0.771 477 R N -1.913 118.653 120.500 0.111 0.000 2.313 477 R HA 0.028 4.368 4.340 -0.000 0.000 0.199 477 R C 0.697 177.079 176.300 0.136 0.000 0.958 477 R CA -0.280 55.877 56.100 0.096 0.000 1.047 477 R CB -0.577 29.766 30.300 0.072 0.000 0.955 477 R HN 0.211 nan 8.270 nan 0.000 0.481 478 Y N 1.059 121.396 120.300 0.063 0.000 2.526 478 Y HA 0.276 4.826 4.550 -0.000 0.000 0.330 478 Y C 0.563 176.540 175.900 0.128 0.000 1.156 478 Y CA 0.445 58.606 58.100 0.101 0.000 1.419 478 Y CB 0.655 39.178 38.460 0.106 0.000 1.250 478 Y HN 0.071 nan 8.280 nan 0.000 0.540 479 G N 4.674 113.239 108.800 -0.391 0.000 2.606 479 G HA2 0.344 4.304 3.960 -0.000 0.000 0.300 479 G HA3 0.344 4.304 3.960 -0.000 0.000 0.300 479 G C -2.295 172.374 174.900 -0.385 0.000 1.360 479 G CA -1.023 43.922 45.100 -0.257 0.000 0.783 479 G HN 0.606 nan 8.290 nan 0.000 0.484 480 F N 1.201 120.817 119.950 -0.556 0.000 2.427 480 F HA 0.572 5.099 4.527 -0.000 0.000 0.346 480 F C -0.004 175.482 175.800 -0.524 0.000 1.120 480 F CA -1.035 56.449 58.000 -0.859 0.000 1.033 480 F CB 1.769 40.157 39.000 -1.020 0.000 1.126 480 F HN 0.369 nan 8.300 nan 0.000 0.462 481 N N 5.142 123.185 118.700 -1.094 0.000 2.645 481 N HA 0.245 4.985 4.740 -0.000 0.000 0.233 481 N C 0.662 175.455 175.510 -1.195 0.000 1.058 481 N CA 0.265 52.815 53.050 -0.832 0.000 0.942 481 N CB 1.188 39.368 38.487 -0.511 0.000 1.210 481 N HN 0.745 nan 8.380 nan 0.000 0.512 482 A N 3.132 125.334 122.820 -1.030 0.000 2.139 482 A HA -0.137 4.182 4.320 -0.000 0.000 0.221 482 A C 2.070 179.350 177.584 -0.505 0.000 1.159 482 A CA 1.847 53.396 52.037 -0.813 0.000 0.662 482 A CB -0.701 18.105 19.000 -0.324 0.000 0.796 482 A HN 0.715 nan 8.150 nan 0.000 0.463 483 A N -0.476 122.105 122.820 -0.399 0.000 1.840 483 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 483 A C 2.380 179.850 177.584 -0.190 0.000 1.198 483 A CA 2.277 54.178 52.037 -0.225 0.000 0.608 483 A CB -1.111 17.781 19.000 -0.180 0.000 0.839 483 A HN 0.828 nan 8.150 nan 0.000 0.443 484 T N -4.195 110.212 114.554 -0.246 0.000 3.081 484 T HA 0.397 4.747 4.350 -0.000 0.000 0.250 484 T C 1.230 175.847 174.700 -0.138 0.000 1.100 484 T CA 1.068 63.077 62.100 -0.151 0.000 1.038 484 T CB -0.068 68.721 68.868 -0.132 0.000 0.962 484 T HN 1.819 nan 8.240 nan 0.000 0.516 485 G N 1.214 109.802 108.800 -0.353 0.000 2.272 485 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.280 485 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.280 485 G C -0.427 174.456 174.900 -0.030 0.000 1.067 485 G CA 0.108 45.078 45.100 -0.216 0.000 0.902 485 G HN 0.691 nan 8.290 nan 0.000 0.500 486 E N -1.503 118.500 120.200 -0.329 0.000 2.408 486 E HA 0.619 4.969 4.350 -0.000 0.000 0.275 486 E C -0.905 175.598 176.600 -0.161 0.000 0.935 486 E CA -1.055 55.338 56.400 -0.011 0.000 0.775 486 E CB 1.358 31.072 29.700 0.023 0.000 1.277 486 E HN 0.047 nan 8.360 nan 0.000 0.455 487 F N 1.297 121.283 119.950 0.059 0.000 2.394 487 F HA 0.432 4.958 4.527 -0.000 0.000 0.340 487 F C 0.546 176.285 175.800 -0.103 0.000 1.105 487 F CA -0.368 57.578 58.000 -0.090 0.000 1.124 487 F CB 1.257 40.205 39.000 -0.086 0.000 1.145 487 F HN 0.235 nan 8.300 nan 0.000 0.505 488 V N -1.248 118.613 119.914 -0.089 0.000 3.121 488 V HA 0.476 4.596 4.120 -0.000 0.000 0.308 488 V C -1.408 174.691 176.094 0.007 0.000 1.492 488 V CA -1.097 61.213 62.300 0.016 0.000 1.034 488 V CB 1.695 33.500 31.823 -0.030 0.000 1.066 488 V HN 0.548 nan 8.190 nan 0.000 0.472 489 D N 1.326 121.761 120.400 0.059 0.000 2.393 489 D HA 0.242 4.882 4.640 -0.000 0.000 0.232 489 D C 1.301 177.602 176.300 0.003 0.000 1.192 489 D CA -0.369 53.670 54.000 0.064 0.000 0.882 489 D CB 1.269 42.114 40.800 0.074 0.000 1.038 489 D HN 0.544 nan 8.370 nan 0.000 0.499 490 M N 2.850 122.437 119.600 -0.023 0.000 2.116 490 M HA -0.207 4.272 4.480 -0.000 0.000 0.255 490 M C 1.872 178.155 176.300 -0.028 0.000 1.075 490 M CA 1.148 56.419 55.300 -0.047 0.000 1.087 490 M CB -0.796 31.777 32.600 -0.044 0.000 1.340 490 M HN 0.308 nan 8.290 nan 0.000 0.402 491 V N 0.175 120.086 119.914 -0.005 0.000 2.221 491 V HA -0.239 3.881 4.120 -0.000 0.000 0.242 491 V C 2.080 178.172 176.094 -0.004 0.000 1.041 491 V CA 1.841 64.139 62.300 -0.002 0.000 0.995 491 V CB -0.826 31.003 31.823 0.010 0.000 0.635 491 V HN 0.462 nan 8.190 nan 0.000 0.448 492 E N 0.175 120.378 120.200 0.006 0.000 2.448 492 E HA -0.160 4.190 4.350 -0.000 0.000 0.203 492 E C 1.754 178.351 176.600 -0.006 0.000 1.046 492 E CA 0.931 57.334 56.400 0.005 0.000 0.871 492 E CB -0.208 29.502 29.700 0.016 0.000 0.790 492 E HN 0.601 nan 8.360 nan 0.000 0.545 493 A N -0.006 122.803 122.820 -0.018 0.000 2.348 493 A HA 0.347 4.667 4.320 -0.000 0.000 0.224 493 A C 1.534 179.094 177.584 -0.040 0.000 1.227 493 A CA 0.488 52.503 52.037 -0.036 0.000 0.885 493 A CB 0.101 19.065 19.000 -0.060 0.000 0.933 493 A HN 0.250 nan 8.150 nan 0.000 0.506 494 G N -0.126 108.657 108.800 -0.029 0.000 2.221 494 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.265 494 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.265 494 G C 0.014 174.891 174.900 -0.037 0.000 1.041 494 G CA 0.473 45.556 45.100 -0.028 0.000 0.807 494 G HN 0.592 nan 8.290 nan 0.000 0.502 495 I N 0.531 121.074 120.570 -0.046 0.000 2.557 495 I HA 0.389 4.559 4.170 -0.000 0.000 0.277 495 I C 0.257 176.349 176.117 -0.042 0.000 1.106 495 I CA -0.775 60.492 61.300 -0.056 0.000 1.180 495 I CB 0.917 38.866 38.000 -0.086 0.000 1.392 495 I HN -0.058 nan 8.210 nan 0.000 0.506 496 V N 2.659 122.554 119.914 -0.030 0.000 3.158 496 V HA 0.600 4.720 4.120 -0.000 0.000 0.315 496 V C -0.670 175.412 176.094 -0.019 0.000 1.148 496 V CA -0.713 61.574 62.300 -0.021 0.000 1.042 496 V CB 2.780 34.594 31.823 -0.014 0.000 1.101 496 V HN 0.381 nan 8.190 nan 0.000 0.448 497 D N 0.306 120.698 120.400 -0.014 0.000 2.857 497 D HA 0.393 5.033 4.640 -0.000 0.000 0.227 497 D C -2.997 173.298 176.300 -0.009 0.000 1.192 497 D CA -1.331 52.661 54.000 -0.013 0.000 0.857 497 D CB 2.648 43.441 40.800 -0.012 0.000 1.645 497 D HN 0.216 nan 8.370 nan 0.000 0.482 498 P HA 0.085 nan 4.420 nan 0.000 0.265 498 P C 0.478 177.775 177.300 -0.005 0.000 1.222 498 P CA 0.029 63.124 63.100 -0.007 0.000 0.767 498 P CB 0.631 32.325 31.700 -0.009 0.000 0.801 499 A N 5.176 127.994 122.820 -0.002 0.000 2.042 499 A HA -0.273 4.047 4.320 -0.000 0.000 0.222 499 A C 2.096 179.680 177.584 -0.000 0.000 1.167 499 A CA 1.707 53.744 52.037 -0.000 0.000 0.649 499 A CB -0.941 18.060 19.000 0.002 0.000 0.809 499 A HN 0.514 nan 8.150 nan 0.000 0.457 500 K N -0.300 120.099 120.400 -0.001 0.000 2.057 500 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 500 K C 1.811 178.410 176.600 -0.002 0.000 1.049 500 K CA 1.536 57.822 56.287 -0.001 0.000 0.931 500 K CB -0.277 32.221 32.500 -0.002 0.000 0.714 500 K HN 0.272 nan 8.250 nan 0.000 0.440 501 V N 1.029 120.941 119.914 -0.004 0.000 2.255 501 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 501 V C 2.248 178.340 176.094 -0.002 0.000 1.051 501 V CA 2.390 64.687 62.300 -0.004 0.000 1.018 501 V CB -0.835 30.984 31.823 -0.007 0.000 0.641 501 V HN 0.465 nan 8.190 nan 0.000 0.445 502 T N -0.101 114.452 114.554 -0.002 0.000 2.595 502 T HA -0.291 4.059 4.350 -0.000 0.000 0.264 502 T C 2.033 176.734 174.700 0.002 0.000 1.058 502 T CA 2.129 64.229 62.100 -0.000 0.000 1.166 502 T CB -0.396 68.472 68.868 0.001 0.000 0.863 502 T HN 0.429 nan 8.240 nan 0.000 0.415 503 R N 0.722 121.223 120.500 0.002 0.000 2.133 503 R HA -0.156 4.184 4.340 -0.000 0.000 0.247 503 R C 2.431 178.732 176.300 0.002 0.000 1.151 503 R CA 1.964 58.066 56.100 0.003 0.000 0.971 503 R CB -0.358 29.944 30.300 0.003 0.000 0.866 503 R HN 0.292 nan 8.270 nan 0.000 0.447 504 S N 0.352 116.052 115.700 0.001 0.000 2.335 504 S HA -0.051 4.419 4.470 -0.000 0.000 0.217 504 S C 2.065 176.666 174.600 0.001 0.000 1.032 504 S CA 0.937 59.138 58.200 0.001 0.000 0.985 504 S CB -0.362 62.837 63.200 -0.000 0.000 0.896 504 S HN 0.579 nan 8.310 nan 0.000 0.445 505 A N 1.643 124.463 122.820 0.001 0.000 1.903 505 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 505 A C 2.147 179.732 177.584 0.002 0.000 1.191 505 A CA 1.849 53.887 52.037 0.001 0.000 0.638 505 A CB -0.954 18.046 19.000 0.001 0.000 0.823 505 A HN 0.393 nan 8.150 nan 0.000 0.451 506 L N -0.539 120.686 121.223 0.003 0.000 1.948 506 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 506 L C 2.602 179.475 176.870 0.004 0.000 1.074 506 L CA 2.620 57.462 54.840 0.004 0.000 0.753 506 L CB -0.986 41.076 42.059 0.005 0.000 0.888 506 L HN 0.534 nan 8.230 nan 0.000 0.432 507 Q N -0.524 119.278 119.800 0.003 0.000 2.133 507 Q HA -0.260 4.080 4.340 -0.000 0.000 0.208 507 Q C 2.039 178.041 176.000 0.002 0.000 0.991 507 Q CA 2.031 57.836 55.803 0.003 0.000 0.867 507 Q CB -0.324 28.415 28.738 0.003 0.000 0.911 507 Q HN 0.583 nan 8.270 nan 0.000 0.417 508 N N -0.002 118.700 118.700 0.002 0.000 2.080 508 N HA -0.126 4.614 4.740 -0.000 0.000 0.189 508 N C 1.709 177.220 175.510 0.002 0.000 1.036 508 N CA 1.343 54.394 53.050 0.002 0.000 0.846 508 N CB -0.420 38.068 38.487 0.001 0.000 1.015 508 N HN 0.253 nan 8.380 nan 0.000 0.423 509 A N 1.425 124.246 122.820 0.003 0.000 1.859 509 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 509 A C 2.382 179.968 177.584 0.003 0.000 1.198 509 A CA 2.435 54.474 52.037 0.003 0.000 0.629 509 A CB -1.130 17.872 19.000 0.004 0.000 0.830 509 A HN 0.342 nan 8.150 nan 0.000 0.446 510 A N -1.104 121.718 122.820 0.004 0.000 2.032 510 A HA -0.137 4.183 4.320 -0.000 0.000 0.221 510 A C 2.429 180.015 177.584 0.003 0.000 1.165 510 A CA 2.307 54.346 52.037 0.004 0.000 0.645 510 A CB -0.836 18.166 19.000 0.004 0.000 0.807 510 A HN 0.560 nan 8.150 nan 0.000 0.453 511 S N -0.652 115.050 115.700 0.003 0.000 2.357 511 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 511 S C 1.900 176.502 174.600 0.002 0.000 1.031 511 S CA 1.111 59.312 58.200 0.002 0.000 0.982 511 S CB -0.418 62.783 63.200 0.001 0.000 0.853 511 S HN 0.516 nan 8.310 nan 0.000 0.458 512 I N 1.329 121.900 120.570 0.002 0.000 2.163 512 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 512 I C 2.616 178.735 176.117 0.003 0.000 1.085 512 I CA 1.226 62.528 61.300 0.002 0.000 1.347 512 I CB -1.106 36.895 38.000 0.002 0.000 1.044 512 I HN 0.445 nan 8.210 nan 0.000 0.408 513 G N 0.764 109.566 108.800 0.003 0.000 2.545 513 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 513 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 513 G C 1.859 176.762 174.900 0.004 0.000 1.218 513 G CA 1.127 46.229 45.100 0.004 0.000 0.787 513 G HN 0.504 nan 8.290 nan 0.000 0.571 514 A N 0.240 123.063 122.820 0.004 0.000 1.958 514 A HA -0.076 4.243 4.320 -0.000 0.000 0.221 514 A C 2.411 179.998 177.584 0.004 0.000 1.178 514 A CA 2.044 54.083 52.037 0.004 0.000 0.642 514 A CB -0.513 18.489 19.000 0.004 0.000 0.816 514 A HN 0.541 nan 8.150 nan 0.000 0.453 515 L N -0.055 121.169 121.223 0.003 0.000 1.970 515 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 515 L C 2.323 179.194 176.870 0.002 0.000 1.071 515 L CA 2.070 56.911 54.840 0.002 0.000 0.751 515 L CB -0.439 41.620 42.059 0.001 0.000 0.889 515 L HN 0.458 nan 8.230 nan 0.000 0.432 516 I N -0.883 119.689 120.570 0.002 0.000 2.208 516 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 516 I C 2.415 178.536 176.117 0.006 0.000 1.097 516 I CA 1.431 62.733 61.300 0.003 0.000 1.363 516 I CB -0.408 37.594 38.000 0.003 0.000 1.051 516 I HN 0.300 nan 8.210 nan 0.000 0.413 517 L N 0.037 121.264 121.223 0.007 0.000 2.079 517 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 517 L C 2.186 179.062 176.870 0.011 0.000 1.081 517 L CA 1.491 56.337 54.840 0.009 0.000 0.752 517 L CB -1.009 41.055 42.059 0.009 0.000 0.896 517 L HN 0.268 nan 8.230 nan 0.000 0.433 518 T N -1.504 113.056 114.554 0.009 0.000 3.129 518 T HA 0.003 4.353 4.350 -0.000 0.000 0.251 518 T C 0.764 175.471 174.700 0.011 0.000 1.117 518 T CA 0.246 62.353 62.100 0.011 0.000 1.034 518 T CB -0.197 68.676 68.868 0.008 0.000 0.968 518 T HN 0.202 nan 8.240 nan 0.000 0.526 519 T N 2.868 117.427 114.554 0.009 0.000 2.749 519 T HA 0.184 4.533 4.350 -0.000 0.000 0.295 519 T C 0.714 175.424 174.700 0.016 0.000 0.936 519 T CA -0.358 61.745 62.100 0.005 0.000 1.060 519 T CB 1.077 69.943 68.868 -0.004 0.000 0.904 519 T HN 0.053 nan 8.240 nan 0.000 0.500 520 E N 1.002 121.216 120.200 0.023 0.000 2.511 520 E HA 0.434 4.784 4.350 -0.000 0.000 0.209 520 E C 0.277 176.913 176.600 0.059 0.000 0.986 520 E CA -0.023 56.414 56.400 0.062 0.000 0.974 520 E CB 0.957 30.707 29.700 0.083 0.000 1.030 520 E HN 0.752 nan 8.360 nan 0.000 0.490 521 A N 0.221 123.012 122.820 -0.048 0.000 2.583 521 A HA 0.550 4.870 4.320 -0.000 0.000 0.292 521 A C -1.409 176.047 177.584 -0.213 0.000 1.045 521 A CA -0.381 51.514 52.037 -0.237 0.000 0.672 521 A CB 1.223 20.021 19.000 -0.336 0.000 1.283 521 A HN 0.139 nan 8.150 nan 0.000 0.419 522 V N -0.916 118.825 119.914 -0.288 0.000 2.777 522 V HA 0.823 4.943 4.120 -0.000 0.000 0.306 522 V C -1.268 174.701 176.094 -0.209 0.000 1.112 522 V CA -0.655 61.535 62.300 -0.183 0.000 0.917 522 V CB 1.545 33.299 31.823 -0.114 0.000 1.018 522 V HN 1.250 nan 8.190 nan 0.000 0.426 523 V N 5.160 124.986 119.914 -0.147 0.000 2.293 523 V HA 0.861 4.981 4.120 -0.000 0.000 0.275 523 V C 0.801 176.837 176.094 -0.096 0.000 1.021 523 V CA 0.361 62.585 62.300 -0.127 0.000 0.815 523 V CB 0.570 32.333 31.823 -0.099 0.000 1.025 523 V HN 1.377 nan 8.190 nan 0.000 0.448 524 A N 4.050 126.809 122.820 -0.101 0.000 2.269 524 A HA 0.807 5.127 4.320 -0.000 0.000 0.327 524 A C -0.011 177.473 177.584 -0.166 0.000 1.112 524 A CA -0.686 51.284 52.037 -0.112 0.000 0.865 524 A CB 0.761 19.711 19.000 -0.084 0.000 1.227 524 A HN 0.625 nan 8.150 nan 0.000 0.498 525 E N 0.691 120.724 120.200 -0.278 0.000 2.283 525 E HA 0.239 4.589 4.350 -0.000 0.000 0.278 525 E C -0.642 175.689 176.600 -0.449 0.000 1.027 525 E CA -0.473 55.734 56.400 -0.322 0.000 0.843 525 E CB 1.451 30.962 29.700 -0.315 0.000 1.062 525 E HN 0.450 nan 8.360 nan 0.000 0.401 526 K N 3.239 123.500 120.400 -0.232 0.000 2.237 526 K HA 0.240 4.560 4.320 -0.000 0.000 0.270 526 K C -2.250 174.285 176.600 -0.109 0.000 1.015 526 K CA -1.299 54.902 56.287 -0.144 0.000 0.949 526 K CB -0.027 32.435 32.500 -0.064 0.000 0.976 526 K HN 0.162 nan 8.250 nan 0.000 0.472 527 P HA 0.000 nan 4.420 nan 0.000 0.216 527 P CA 0.000 63.162 63.100 0.104 0.000 0.800 527 P CB 0.000 31.772 31.700 0.121 0.000 0.726