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 1dx4_1_A DATA FIRST_RESID 3 DATA SEQUENCE DRLVVQTSSG PVRGRSVTVQ GREVHVYTGI PYAKPPVEDL RFRKPVPAEP DATA SEQUENCE WHGVLDATGL SATcVQERYE YFPGFSGEEI WNPNTNVSED cLYINVWAPA DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXTTNGLP ILIWIYGGGF DATA SEQUENCE MTGSATLDIY NADIMAAVGN VIVASFQYRV GAFGFLHLAP EMPSEFAEEA DATA SEQUENCE PGNVGLWDQA LAIRWLKDNA HAFGGNPEWM TLFGESAGSS SVNAQLMSPV DATA SEQUENCE TRGLVKRGMM QSGTMNAPWS HMTSEKAVEI GKALINDCNc NASMLKTNPA DATA SEQUENCE HVMScMRSVD AKTISVQQWN SYSGILSFPS APTIDGAFLP ADPMTLMKTA DATA SEQUENCE DLKDYDILMG NVRDEGTYFL LYDFIDYFDK DDATALPRDK YLEIMNNIFG DATA SEQUENCE KATQAEREAI IFQYTSWEGN PGYQNQQQIG RAVGDHFFTc PTNEYAQALA DATA SEQUENCE ERGASVHYYY FTHRTSTSLW GEWMGVLHGD EIEYFFGQPL NNSLQYRPVE DATA SEQUENCE RELGKRMLSA VIEFAKTGNP AQDGEEWPNF SKEDPVYYIF STDDKIEKLA DATA SEQUENCE RGPLAARcSF WNDYLPKVRS W 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 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.293 176.300 -0.012 0.000 2.045 3 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 3 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 4 R N 1.551 122.035 120.500 -0.028 0.000 2.404 4 R HA 0.336 4.676 4.340 -0.000 0.000 0.237 4 R C 0.595 176.859 176.300 -0.060 0.000 0.907 4 R CA 0.447 56.539 56.100 -0.013 0.000 1.063 4 R CB 0.118 30.425 30.300 0.012 0.000 1.134 4 R HN 0.382 nan 8.270 nan 0.000 0.529 5 L N 0.637 121.780 121.223 -0.133 0.000 2.783 5 L HA 0.367 4.707 4.340 -0.000 0.000 0.236 5 L C -0.575 176.272 176.870 -0.038 0.000 1.225 5 L CA -0.363 54.327 54.840 -0.250 0.000 1.026 5 L CB 0.819 42.663 42.059 -0.358 0.000 1.314 5 L HN -0.179 nan 8.230 nan 0.000 0.489 6 V N 0.247 120.183 119.914 0.036 0.000 2.459 6 V HA 0.425 4.545 4.120 -0.000 0.000 0.295 6 V C -0.222 175.919 176.094 0.079 0.000 1.029 6 V CA -0.574 61.778 62.300 0.087 0.000 0.874 6 V CB 2.938 34.785 31.823 0.040 0.000 0.985 6 V HN -0.060 nan 8.190 nan 0.000 0.438 7 V N 4.659 124.610 119.914 0.061 0.000 2.823 7 V HA 0.538 4.658 4.120 -0.000 0.000 0.312 7 V C -0.629 175.419 176.094 -0.076 0.000 1.072 7 V CA -0.502 61.719 62.300 -0.131 0.000 0.937 7 V CB 2.229 33.724 31.823 -0.547 0.000 1.013 7 V HN 0.841 nan 8.190 nan 0.000 0.430 8 Q N 3.851 123.592 119.800 -0.099 0.000 2.456 8 Q HA 0.325 4.665 4.340 -0.000 0.000 0.234 8 Q C -0.041 175.943 176.000 -0.026 0.000 1.061 8 Q CA -0.095 55.701 55.803 -0.011 0.000 0.896 8 Q CB 1.021 29.752 28.738 -0.013 0.000 1.233 8 Q HN 1.016 nan 8.270 nan 0.000 0.506 9 T N -1.709 112.909 114.554 0.106 0.000 2.918 9 T HA 0.181 4.531 4.350 -0.000 0.000 0.283 9 T C 1.467 176.203 174.700 0.061 0.000 1.001 9 T CA -0.084 62.088 62.100 0.120 0.000 1.041 9 T CB 1.124 70.278 68.868 0.476 0.000 1.028 9 T HN 0.442 nan 8.240 nan 0.000 0.511 10 S N 1.015 116.672 115.700 -0.072 0.000 2.462 10 S HA -0.142 4.328 4.470 -0.000 0.000 0.243 10 S C 1.656 176.187 174.600 -0.115 0.000 1.003 10 S CA 1.233 59.370 58.200 -0.105 0.000 0.970 10 S CB -0.891 62.200 63.200 -0.180 0.000 0.762 10 S HN 0.685 nan 8.310 nan 0.000 0.510 11 S N 0.329 115.959 115.700 -0.116 0.000 2.511 11 S HA 0.617 5.087 4.470 -0.000 0.000 0.214 11 S C 0.836 174.851 174.600 -0.975 0.000 0.997 11 S CA 0.007 57.845 58.200 -0.603 0.000 0.908 11 S CB 0.727 63.338 63.200 -0.983 0.000 0.803 11 S HN 1.055 nan 8.310 nan 0.000 0.504 12 G N 1.470 110.240 108.800 -0.051 0.000 2.350 12 G HA2 0.238 4.198 3.960 -0.000 0.000 0.282 12 G HA3 0.238 4.198 3.960 -0.000 0.000 0.282 12 G C -3.696 171.640 174.900 0.727 0.000 1.314 12 G CA -1.064 44.291 45.100 0.426 0.000 0.915 12 G HN -0.069 nan 8.290 nan 0.000 0.499 13 P HA 0.565 nan 4.420 nan 0.000 0.286 13 P C -0.647 176.736 177.300 0.137 0.000 1.269 13 P CA -0.348 62.900 63.100 0.247 0.000 0.787 13 P CB 1.711 33.509 31.700 0.164 0.000 0.920 14 V N 4.448 124.438 119.914 0.126 0.000 2.760 14 V HA 0.552 4.672 4.120 -0.000 0.000 0.309 14 V C -0.131 176.068 176.094 0.175 0.000 1.077 14 V CA -0.725 61.637 62.300 0.104 0.000 0.910 14 V CB 2.194 34.142 31.823 0.210 0.000 1.008 14 V HN 0.526 nan 8.190 nan 0.000 0.424 15 R N 2.650 123.207 120.500 0.095 0.000 2.476 15 R HA 0.839 5.178 4.340 -0.000 0.000 0.305 15 R C 0.070 176.317 176.300 -0.088 0.000 0.965 15 R CA -0.457 55.662 56.100 0.032 0.000 0.867 15 R CB 1.990 32.272 30.300 -0.031 0.000 1.176 15 R HN 0.725 nan 8.270 nan 0.000 0.447 16 G N 2.740 111.338 108.800 -0.337 0.000 3.227 16 G HA2 0.534 4.494 3.960 -0.000 0.000 0.171 16 G HA3 0.534 4.494 3.960 -0.000 0.000 0.171 16 G C -0.737 173.932 174.900 -0.385 0.000 1.463 16 G CA -0.945 43.859 45.100 -0.493 0.000 1.016 16 G HN 0.690 nan 8.290 nan 0.000 0.594 17 R N -1.634 118.625 120.500 -0.402 0.000 2.764 17 R HA 0.679 5.019 4.340 -0.000 0.000 0.270 17 R C -1.313 174.876 176.300 -0.185 0.000 1.014 17 R CA -0.643 55.310 56.100 -0.245 0.000 0.904 17 R CB 1.464 31.672 30.300 -0.154 0.000 1.236 17 R HN 0.446 nan 8.270 nan 0.000 0.466 18 S N 0.643 116.293 115.700 -0.082 0.000 2.541 18 S HA 0.626 5.096 4.470 -0.000 0.000 0.283 18 S C -0.574 174.070 174.600 0.073 0.000 1.196 18 S CA -0.508 57.742 58.200 0.083 0.000 1.062 18 S CB 1.205 64.475 63.200 0.117 0.000 1.009 18 S HN 0.379 nan 8.310 nan 0.000 0.502 19 V N 3.105 123.088 119.914 0.115 0.000 3.040 19 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 19 V C -0.438 175.703 176.094 0.078 0.000 1.115 19 V CA -0.767 61.584 62.300 0.085 0.000 0.998 19 V CB 2.500 34.384 31.823 0.103 0.000 1.042 19 V HN 0.894 nan 8.190 nan 0.000 0.433 20 T N 2.714 117.301 114.554 0.055 0.000 2.906 20 T HA 0.608 4.958 4.350 -0.000 0.000 0.302 20 T C -0.760 173.960 174.700 0.032 0.000 1.002 20 T CA -0.387 61.737 62.100 0.041 0.000 0.988 20 T CB 1.164 70.051 68.868 0.031 0.000 0.972 20 T HN 0.825 nan 8.240 nan 0.000 0.447 21 V N 1.440 121.372 119.914 0.030 0.000 2.789 21 V HA 0.620 4.740 4.120 -0.000 0.000 0.311 21 V C -0.123 175.976 176.094 0.008 0.000 1.073 21 V CA -1.139 61.171 62.300 0.018 0.000 0.921 21 V CB 1.970 33.805 31.823 0.020 0.000 1.009 21 V HN 0.712 nan 8.190 nan 0.000 0.426 22 Q N 2.054 121.854 119.800 -0.001 0.000 2.434 22 Q HA -0.214 4.125 4.340 -0.000 0.000 0.299 22 Q C 1.154 177.154 176.000 -0.000 0.000 1.286 22 Q CA 1.388 57.188 55.803 -0.005 0.000 0.872 22 Q CB -1.893 26.838 28.738 -0.012 0.000 1.193 22 Q HN 2.485 nan 8.270 nan 0.000 0.466 23 G N 0.438 109.240 108.800 0.004 0.000 2.395 23 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.300 23 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.300 23 G C -0.102 174.802 174.900 0.008 0.000 0.998 23 G CA 0.872 45.976 45.100 0.006 0.000 1.046 23 G HN 0.284 nan 8.290 nan 0.000 0.513 24 R N -0.365 120.141 120.500 0.011 0.000 2.548 24 R HA 0.303 4.643 4.340 -0.000 0.000 0.280 24 R C -0.610 175.701 176.300 0.018 0.000 1.061 24 R CA -0.730 55.376 56.100 0.010 0.000 0.915 24 R CB 1.499 31.803 30.300 0.007 0.000 1.210 24 R HN 0.479 nan 8.270 nan 0.000 0.442 25 E N 2.753 122.958 120.200 0.009 0.000 2.259 25 E HA 0.349 4.699 4.350 -0.000 0.000 0.281 25 E C -1.126 175.467 176.600 -0.011 0.000 1.027 25 E CA -0.455 55.952 56.400 0.011 0.000 0.838 25 E CB 1.225 30.926 29.700 0.001 0.000 1.066 25 E HN 0.188 nan 8.360 nan 0.000 0.401 26 V N 4.705 124.648 119.914 0.047 0.000 2.638 26 V HA 0.212 4.332 4.120 -0.000 0.000 0.306 26 V C -0.928 175.280 176.094 0.191 0.000 1.052 26 V CA -0.730 61.623 62.300 0.089 0.000 0.885 26 V CB 1.847 33.773 31.823 0.173 0.000 0.999 26 V HN 0.758 nan 8.190 nan 0.000 0.424 27 H N 2.594 121.761 119.070 0.161 0.000 2.604 27 H HA 0.540 5.096 4.556 -0.000 0.000 0.306 27 H C -0.692 174.672 175.328 0.060 0.000 1.075 27 H CA -0.681 55.418 56.048 0.084 0.000 1.357 27 H CB 1.751 31.635 29.762 0.203 0.000 1.426 27 H HN 0.403 nan 8.280 nan 0.000 0.470 28 V N 5.591 125.461 119.914 -0.073 0.000 2.334 28 V HA 0.099 4.219 4.120 -0.000 0.000 0.281 28 V C -0.904 174.946 176.094 -0.407 0.000 1.016 28 V CA -0.722 61.438 62.300 -0.232 0.000 0.832 28 V CB 0.106 31.801 31.823 -0.213 0.000 0.999 28 V HN 0.644 nan 8.190 nan 0.000 0.439 29 Y N 2.880 123.048 120.300 -0.219 0.000 2.356 29 Y HA 0.593 5.143 4.550 -0.000 0.000 0.334 29 Y C 0.794 176.538 175.900 -0.259 0.000 0.958 29 Y CA -0.931 57.090 58.100 -0.133 0.000 1.196 29 Y CB 1.592 40.099 38.460 0.077 0.000 1.137 29 Y HN 0.665 nan 8.280 nan 0.000 0.485 30 T N -1.177 113.304 114.554 -0.123 0.000 2.841 30 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 30 T C 0.678 175.324 174.700 -0.090 0.000 1.000 30 T CA -0.514 61.498 62.100 -0.146 0.000 0.977 30 T CB 1.633 70.392 68.868 -0.182 0.000 0.979 30 T HN 1.129 nan 8.240 nan 0.000 0.446 31 G N 2.241 111.008 108.800 -0.054 0.000 2.142 31 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.225 31 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.225 31 G C -0.073 174.840 174.900 0.022 0.000 1.015 31 G CA -0.347 44.688 45.100 -0.108 0.000 0.716 31 G HN 0.941 nan 8.290 nan 0.000 0.508 32 I N 2.670 123.290 120.570 0.083 0.000 2.352 32 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 32 I C -1.447 174.738 176.117 0.114 0.000 1.036 32 I CA -2.141 59.178 61.300 0.032 0.000 1.336 32 I CB 1.175 39.163 38.000 -0.019 0.000 1.407 32 I HN -0.028 nan 8.210 nan 0.000 0.497 33 P HA 0.011 nan 4.420 nan 0.000 0.276 33 P C -0.760 176.500 177.300 -0.067 0.000 1.230 33 P CA 0.115 63.189 63.100 -0.043 0.000 0.776 33 P CB 0.535 32.264 31.700 0.048 0.000 0.888 34 Y N 1.522 121.642 120.300 -0.301 0.000 2.641 34 Y HA 0.758 5.308 4.550 -0.000 0.000 0.248 34 Y C -0.264 175.548 175.900 -0.147 0.000 1.170 34 Y CA -1.012 56.872 58.100 -0.360 0.000 1.201 34 Y CB 0.103 38.234 38.460 -0.547 0.000 1.232 34 Y HN 0.538 nan 8.280 nan 0.000 0.537 35 A N 0.441 122.990 122.820 -0.453 0.000 2.597 35 A HA 0.451 4.771 4.320 -0.000 0.000 0.292 35 A C -1.367 176.054 177.584 -0.271 0.000 1.057 35 A CA -1.278 50.559 52.037 -0.333 0.000 0.674 35 A CB 0.936 19.653 19.000 -0.472 0.000 1.278 35 A HN 0.163 nan 8.150 nan 0.000 0.416 36 K N 1.121 121.428 120.400 -0.154 0.000 2.412 36 K HA 0.298 4.617 4.320 -0.000 0.000 0.281 36 K C -2.460 174.051 176.600 -0.149 0.000 1.027 36 K CA -1.146 55.074 56.287 -0.111 0.000 0.989 36 K CB 0.159 32.621 32.500 -0.064 0.000 0.935 36 K HN 0.303 nan 8.250 nan 0.000 0.475 37 P HA -0.059 nan 4.420 nan 0.000 0.255 37 P C -2.253 174.987 177.300 -0.101 0.000 1.173 37 P CA -0.628 62.393 63.100 -0.131 0.000 0.780 37 P CB -0.077 31.583 31.700 -0.067 0.000 0.758 38 P HA -0.016 nan 4.420 nan 0.000 0.238 38 P C -0.525 176.727 177.300 -0.080 0.000 1.729 38 P CA 0.553 63.604 63.100 -0.082 0.000 1.055 38 P CB 0.039 31.699 31.700 -0.068 0.000 1.980 39 V N 0.970 120.841 119.914 -0.072 0.000 2.919 39 V HA 0.247 4.367 4.120 -0.000 0.000 0.316 39 V C 1.222 177.277 176.094 -0.065 0.000 1.077 39 V CA -0.646 61.613 62.300 -0.069 0.000 0.977 39 V CB 1.357 33.150 31.823 -0.051 0.000 1.039 39 V HN 0.384 nan 8.190 nan 0.000 0.441 40 E N 0.757 120.917 120.200 -0.067 0.000 3.221 40 E HA -0.391 3.958 4.350 -0.000 0.000 0.410 40 E C 1.008 177.569 176.600 -0.065 0.000 1.531 40 E CA 1.814 58.180 56.400 -0.057 0.000 1.285 40 E CB -0.812 28.867 29.700 -0.035 0.000 1.542 40 E HN 1.028 nan 8.360 nan 0.000 0.482 41 D N 0.480 120.855 120.400 -0.042 0.000 2.309 41 D HA -0.062 4.578 4.640 -0.000 0.000 0.212 41 D C 1.638 177.918 176.300 -0.033 0.000 0.968 41 D CA 0.927 54.910 54.000 -0.029 0.000 0.882 41 D CB 0.017 40.807 40.800 -0.017 0.000 0.918 41 D HN 0.254 nan 8.370 nan 0.000 0.503 42 L N -0.166 121.027 121.223 -0.049 0.000 2.628 42 L HA 0.194 4.534 4.340 -0.000 0.000 0.229 42 L C 1.082 177.913 176.870 -0.065 0.000 1.137 42 L CA -0.385 54.427 54.840 -0.047 0.000 0.909 42 L CB -0.060 41.970 42.059 -0.048 0.000 1.137 42 L HN -0.041 nan 8.230 nan 0.000 0.470 43 R N 0.176 120.596 120.500 -0.134 0.000 2.590 43 R HA -0.032 4.308 4.340 -0.000 0.000 0.274 43 R C 0.310 176.494 176.300 -0.193 0.000 1.061 43 R CA 0.040 55.968 56.100 -0.286 0.000 1.081 43 R CB 0.331 30.293 30.300 -0.562 0.000 0.984 43 R HN 0.062 nan 8.270 nan 0.000 0.448 44 F N -0.674 119.318 119.950 0.071 0.000 2.732 44 F HA -0.330 4.197 4.527 -0.000 0.000 0.443 44 F C 0.476 176.282 175.800 0.009 0.000 0.572 44 F CA 1.182 59.206 58.000 0.040 0.000 1.050 44 F CB -1.458 37.559 39.000 0.028 0.000 1.665 44 F HN 0.639 nan 8.300 nan 0.000 0.278 45 R N 1.124 121.706 120.500 0.137 0.000 2.543 45 R HA 0.445 4.785 4.340 -0.000 0.000 0.268 45 R C 0.616 176.906 176.300 -0.016 0.000 1.067 45 R CA -0.919 55.208 56.100 0.044 0.000 1.142 45 R CB 0.702 31.008 30.300 0.010 0.000 1.110 45 R HN 0.078 nan 8.270 nan 0.000 0.549 46 K N 2.202 122.536 120.400 -0.110 0.000 2.440 46 K HA 0.058 4.378 4.320 -0.000 0.000 0.270 46 K C -1.958 174.589 176.600 -0.089 0.000 0.980 46 K CA -0.867 55.305 56.287 -0.190 0.000 0.953 46 K CB 0.083 32.324 32.500 -0.432 0.000 0.925 46 K HN 0.382 nan 8.250 nan 0.000 0.497 47 P HA 0.075 nan 4.420 nan 0.000 0.277 47 P C -0.915 176.375 177.300 -0.016 0.000 1.240 47 P CA -0.449 62.645 63.100 -0.010 0.000 0.798 47 P CB 1.000 32.729 31.700 0.048 0.000 0.979 48 V N -1.669 118.227 119.914 -0.029 0.000 2.604 48 V HA 0.516 4.635 4.120 -0.000 0.000 0.305 48 V C -2.775 173.314 176.094 -0.008 0.000 1.043 48 V CA -3.290 58.999 62.300 -0.017 0.000 0.888 48 V CB 1.059 32.864 31.823 -0.029 0.000 0.995 48 V HN 0.303 nan 8.190 nan 0.000 0.429 49 P HA 0.148 nan 4.420 nan 0.000 0.263 49 P C 0.140 177.446 177.300 0.010 0.000 1.175 49 P CA 0.834 63.965 63.100 0.052 0.000 0.761 49 P CB 0.329 32.068 31.700 0.065 0.000 0.794 50 A N 3.346 126.171 122.820 0.008 0.000 2.386 50 A HA 0.100 4.420 4.320 -0.000 0.000 0.248 50 A C 0.226 177.796 177.584 -0.024 0.000 1.082 50 A CA -0.267 51.767 52.037 -0.004 0.000 0.789 50 A CB -0.085 18.939 19.000 0.040 0.000 1.025 50 A HN 0.543 nan 8.150 nan 0.000 0.490 51 E N 2.381 122.579 120.200 -0.003 0.000 2.290 51 E HA 0.231 4.581 4.350 -0.000 0.000 0.277 51 E C -2.024 174.514 176.600 -0.103 0.000 1.035 51 E CA -1.459 54.925 56.400 -0.027 0.000 0.873 51 E CB 0.317 30.032 29.700 0.025 0.000 1.029 51 E HN 0.506 nan 8.360 nan 0.000 0.419 52 P HA -0.091 nan 4.420 nan 0.000 0.266 52 P C -1.040 176.128 177.300 -0.220 0.000 1.193 52 P CA 0.181 62.997 63.100 -0.474 0.000 0.770 52 P CB 0.277 31.792 31.700 -0.308 0.000 0.836 53 W N 2.022 123.366 121.300 0.074 0.000 2.594 53 W HA 0.525 5.185 4.660 -0.000 0.000 0.365 53 W C 0.110 176.666 176.519 0.063 0.000 1.196 53 W CA -0.882 56.486 57.345 0.038 0.000 1.258 53 W CB -0.420 29.019 29.460 -0.035 0.000 1.405 53 W HN 0.423 nan 8.180 nan 0.000 0.640 54 H N -0.273 119.003 119.070 0.343 0.000 2.492 54 H HA 0.642 5.198 4.556 -0.000 0.000 0.345 54 H C 0.573 176.016 175.328 0.191 0.000 1.136 54 H CA -0.706 55.470 56.048 0.212 0.000 1.202 54 H CB 0.865 30.704 29.762 0.129 0.000 1.524 54 H HN 1.162 nan 8.280 nan 0.000 0.506 55 G N 1.084 110.017 108.800 0.221 0.000 2.698 55 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.233 55 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.233 55 G C -0.215 174.727 174.900 0.069 0.000 1.352 55 G CA 0.014 45.188 45.100 0.124 0.000 0.879 55 G HN 1.226 nan 8.290 nan 0.000 0.567 56 V N -1.937 117.984 119.914 0.012 0.000 2.509 56 V HA 0.782 4.902 4.120 -0.000 0.000 0.284 56 V C 0.648 176.665 176.094 -0.128 0.000 1.047 56 V CA -0.561 61.722 62.300 -0.027 0.000 0.952 56 V CB 1.486 33.304 31.823 -0.009 0.000 0.988 56 V HN 1.274 nan 8.190 nan 0.000 0.469 57 L N 3.131 124.217 121.223 -0.228 0.000 2.292 57 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 57 L C 0.212 176.964 176.870 -0.197 0.000 1.065 57 L CA -0.201 54.440 54.840 -0.331 0.000 0.806 57 L CB 1.171 42.827 42.059 -0.672 0.000 1.175 57 L HN 0.892 nan 8.230 nan 0.000 0.431 58 D N 4.569 124.866 120.400 -0.172 0.000 2.367 58 D HA 0.161 4.801 4.640 -0.000 0.000 0.255 58 D C -0.036 176.186 176.300 -0.131 0.000 1.300 58 D CA 0.253 54.175 54.000 -0.130 0.000 0.959 58 D CB 0.895 41.624 40.800 -0.118 0.000 1.064 58 D HN 0.569 nan 8.370 nan 0.000 0.509 59 A N 3.302 126.063 122.820 -0.098 0.000 3.290 59 A HA 0.313 4.633 4.320 -0.000 0.000 0.297 59 A C 1.148 178.660 177.584 -0.120 0.000 1.285 59 A CA -0.195 51.797 52.037 -0.076 0.000 1.060 59 A CB -0.253 18.781 19.000 0.057 0.000 1.114 59 A HN 0.522 nan 8.150 nan 0.000 0.601 60 T N -4.000 110.476 114.554 -0.130 0.000 2.969 60 T HA 0.361 4.711 4.350 -0.000 0.000 0.258 60 T C 0.891 175.520 174.700 -0.118 0.000 0.962 60 T CA 0.642 62.661 62.100 -0.135 0.000 0.903 60 T CB 0.134 68.927 68.868 -0.124 0.000 1.177 60 T HN 0.546 nan 8.240 nan 0.000 0.511 61 G N 1.311 110.037 108.800 -0.122 0.000 2.462 61 G HA2 0.651 4.611 3.960 -0.000 0.000 0.319 61 G HA3 0.651 4.611 3.960 -0.000 0.000 0.319 61 G C -0.712 174.111 174.900 -0.128 0.000 1.171 61 G CA -0.974 44.055 45.100 -0.118 0.000 0.920 61 G HN 0.442 nan 8.290 nan 0.000 0.499 62 L N 1.542 122.699 121.223 -0.110 0.000 2.331 62 L HA 0.253 4.593 4.340 -0.000 0.000 0.278 62 L C 1.359 178.142 176.870 -0.146 0.000 1.106 62 L CA -0.592 54.189 54.840 -0.098 0.000 0.824 62 L CB 1.248 43.270 42.059 -0.062 0.000 1.142 62 L HN 0.714 nan 8.230 nan 0.000 0.443 63 S N 2.728 118.327 115.700 -0.167 0.000 2.606 63 S HA 0.475 4.945 4.470 -0.000 0.000 0.257 63 S C 0.275 174.787 174.600 -0.147 0.000 1.327 63 S CA -0.536 57.489 58.200 -0.292 0.000 0.984 63 S CB 1.085 64.127 63.200 -0.264 0.000 0.941 63 S HN 0.687 nan 8.310 nan 0.000 0.576 64 A N 0.778 123.518 122.820 -0.134 0.000 2.280 64 A HA 0.599 4.919 4.320 -0.000 0.000 0.268 64 A C 0.758 178.356 177.584 0.024 0.000 1.111 64 A CA -0.015 51.999 52.037 -0.038 0.000 0.814 64 A CB -0.313 18.680 19.000 -0.013 0.000 1.093 64 A HN 1.370 nan 8.150 nan 0.000 0.498 65 T N -1.886 112.671 114.554 0.006 0.000 2.855 65 T HA 0.472 4.822 4.350 -0.000 0.000 0.281 65 T C -0.029 174.669 174.700 -0.003 0.000 1.007 65 T CA -0.685 61.417 62.100 0.004 0.000 1.009 65 T CB 0.272 69.121 68.868 -0.033 0.000 0.983 65 T HN 0.721 nan 8.240 nan 0.000 0.455 66 c N 2.934 121.536 118.600 0.003 0.000 2.665 66 c HA 0.223 4.793 4.570 -0.000 0.000 0.416 66 c C 1.151 175.193 174.090 -0.080 0.000 1.305 66 c CA -0.889 55.416 56.329 -0.039 0.000 1.903 66 c CB -0.707 41.804 42.510 0.003 0.000 2.704 66 c HN 0.800 nan 8.230 nan 0.000 0.629 67 V N 4.670 124.444 119.914 -0.232 0.000 2.644 67 V HA 0.148 4.268 4.120 -0.000 0.000 0.305 67 V C 0.403 176.506 176.094 0.015 0.000 1.053 67 V CA 0.948 63.104 62.300 -0.240 0.000 1.186 67 V CB -0.623 30.755 31.823 -0.742 0.000 0.895 67 V HN 1.073 nan 8.190 nan 0.000 0.490 68 Q N 3.112 122.987 119.800 0.124 0.000 2.776 68 Q HA 0.520 4.859 4.340 -0.000 0.000 0.289 68 Q C -1.684 174.440 176.000 0.208 0.000 0.912 68 Q CA -1.100 54.848 55.803 0.241 0.000 0.789 68 Q CB 1.560 30.429 28.738 0.219 0.000 1.498 68 Q HN 0.479 nan 8.270 nan 0.000 0.408 69 E N 1.100 121.450 120.200 0.250 0.000 2.250 69 E HA 0.465 4.814 4.350 -0.000 0.000 0.269 69 E C -0.650 175.975 176.600 0.042 0.000 1.018 69 E CA -0.716 55.752 56.400 0.113 0.000 0.873 69 E CB 1.436 31.163 29.700 0.045 0.000 1.134 69 E HN 0.426 nan 8.360 nan 0.000 0.403 70 R N 0.930 121.436 120.500 0.009 0.000 2.500 70 R HA 0.336 4.676 4.340 -0.000 0.000 0.277 70 R C -0.515 175.781 176.300 -0.008 0.000 1.026 70 R CA -0.579 55.563 56.100 0.070 0.000 1.058 70 R CB 0.555 30.910 30.300 0.092 0.000 1.078 70 R HN 0.407 nan 8.270 nan 0.000 0.509 71 Y N 1.097 121.496 120.300 0.164 0.000 2.404 71 Y HA 0.118 4.668 4.550 -0.000 0.000 0.344 71 Y C 0.546 176.643 175.900 0.329 0.000 0.970 71 Y CA -0.154 58.116 58.100 0.283 0.000 1.180 71 Y CB 1.158 39.806 38.460 0.313 0.000 1.138 71 Y HN 0.454 nan 8.280 nan 0.000 0.510 72 E N 3.520 123.934 120.200 0.358 0.000 2.651 72 E HA 0.034 4.384 4.350 -0.000 0.000 0.213 72 E C 0.220 176.941 176.600 0.202 0.000 1.028 72 E CA -0.053 56.494 56.400 0.246 0.000 1.183 72 E CB 0.003 29.753 29.700 0.084 0.000 1.188 72 E HN 0.802 nan 8.360 nan 0.000 0.444 73 Y N -0.275 120.122 120.300 0.162 0.000 2.293 73 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 73 Y C 0.802 176.441 175.900 -0.434 0.000 1.137 73 Y CA 1.005 59.008 58.100 -0.161 0.000 1.202 73 Y CB 0.082 38.375 38.460 -0.278 0.000 0.990 73 Y HN 0.029 nan 8.280 nan 0.000 0.537 74 F N 0.566 120.682 119.950 0.277 0.000 2.531 74 F HA 0.389 4.916 4.527 -0.000 0.000 0.333 74 F C -2.454 173.468 175.800 0.202 0.000 1.292 74 F CA -3.494 54.648 58.000 0.236 0.000 1.184 74 F CB 0.141 39.344 39.000 0.339 0.000 1.426 74 F HN -0.236 nan 8.300 nan 0.000 0.559 75 P HA 0.079 nan 4.420 nan 0.000 0.261 75 P C 1.054 178.447 177.300 0.155 0.000 1.173 75 P CA 1.223 64.413 63.100 0.150 0.000 0.760 75 P CB 0.644 32.381 31.700 0.062 0.000 0.783 76 G N 1.912 110.798 108.800 0.143 0.000 2.179 76 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 76 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 76 G C -0.026 174.955 174.900 0.135 0.000 0.977 76 G CA -0.365 44.796 45.100 0.101 0.000 0.641 76 G HN 0.524 nan 8.290 nan 0.000 0.533 77 F N 1.916 121.895 119.950 0.049 0.000 2.429 77 F HA 0.647 5.174 4.527 -0.000 0.000 0.348 77 F C 1.446 177.213 175.800 -0.055 0.000 1.109 77 F CA -0.462 57.519 58.000 -0.031 0.000 1.232 77 F CB 1.651 40.619 39.000 -0.053 0.000 1.157 77 F HN 0.043 nan 8.300 nan 0.000 0.564 78 S N 3.696 119.758 115.700 0.603 0.000 2.377 78 S HA -0.001 4.468 4.470 -0.000 0.000 0.223 78 S C 2.201 176.841 174.600 0.067 0.000 1.030 78 S CA 1.154 59.492 58.200 0.231 0.000 0.970 78 S CB -0.926 62.341 63.200 0.112 0.000 0.830 78 S HN 0.917 nan 8.310 nan 0.000 0.473 79 G N 1.200 109.901 108.800 -0.165 0.000 2.513 79 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 79 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 79 G C 1.362 176.159 174.900 -0.172 0.000 1.160 79 G CA 1.275 45.992 45.100 -0.638 0.000 0.767 79 G HN 0.716 nan 8.290 nan 0.000 0.571 80 E N -0.195 119.853 120.200 -0.252 0.000 2.158 80 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 80 E C 2.258 178.996 176.600 0.230 0.000 0.982 80 E CA 0.661 57.175 56.400 0.190 0.000 0.823 80 E CB -0.026 29.859 29.700 0.309 0.000 0.766 80 E HN 0.320 nan 8.360 nan 0.000 0.468 81 E N 0.953 121.230 120.200 0.129 0.000 2.152 81 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 81 E C 2.273 178.861 176.600 -0.021 0.000 0.983 81 E CA 1.009 57.462 56.400 0.088 0.000 0.818 81 E CB -0.309 29.431 29.700 0.067 0.000 0.758 81 E HN 0.602 nan 8.360 nan 0.000 0.467 82 I N -3.050 117.431 120.570 -0.149 0.000 2.800 82 I HA -0.142 4.028 4.170 -0.000 0.000 0.266 82 I C 1.345 177.108 176.117 -0.590 0.000 1.249 82 I CA 1.070 62.120 61.300 -0.417 0.000 1.458 82 I CB -0.546 37.089 38.000 -0.609 0.000 1.093 82 I HN -0.008 nan 8.210 nan 0.000 0.466 83 W N 0.621 121.861 121.300 -0.101 0.000 3.127 83 W HA 0.288 4.947 4.660 -0.000 0.000 0.344 83 W C 0.813 177.299 176.519 -0.055 0.000 1.151 83 W CA -0.636 56.638 57.345 -0.119 0.000 1.765 83 W CB -0.069 29.299 29.460 -0.153 0.000 1.085 83 W HN -0.053 nan 8.180 nan 0.000 0.596 84 N N 1.240 120.024 118.700 0.141 0.000 2.463 84 N HA 0.211 4.951 4.740 -0.000 0.000 0.270 84 N C -2.408 173.129 175.510 0.044 0.000 1.205 84 N CA -1.459 51.669 53.050 0.131 0.000 0.974 84 N CB -0.121 38.449 38.487 0.138 0.000 1.197 84 N HN -0.402 nan 8.380 nan 0.000 0.504 85 P HA -0.042 nan 4.420 nan 0.000 0.263 85 P C 0.355 177.638 177.300 -0.028 0.000 1.168 85 P CA 0.506 63.605 63.100 -0.000 0.000 0.759 85 P CB 0.534 32.243 31.700 0.015 0.000 0.782 86 N N 0.405 119.073 118.700 -0.053 0.000 2.432 86 N HA -0.007 4.733 4.740 -0.000 0.000 0.174 86 N C 0.300 175.779 175.510 -0.052 0.000 1.037 86 N CA 0.763 53.773 53.050 -0.067 0.000 0.892 86 N CB 0.338 38.771 38.487 -0.090 0.000 1.049 86 N HN 0.532 nan 8.380 nan 0.000 0.442 87 T N -2.529 111.999 114.554 -0.044 0.000 2.858 87 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 87 T C -0.308 174.372 174.700 -0.033 0.000 1.052 87 T CA -0.962 61.112 62.100 -0.043 0.000 1.009 87 T CB 0.735 69.572 68.868 -0.051 0.000 1.241 87 T HN -0.151 nan 8.240 nan 0.000 0.542 88 N N 0.862 119.541 118.700 -0.035 0.000 2.345 88 N HA 0.261 5.001 4.740 -0.000 0.000 0.243 88 N C -0.102 175.393 175.510 -0.025 0.000 1.246 88 N CA -0.182 52.852 53.050 -0.027 0.000 0.863 88 N CB 0.498 38.966 38.487 -0.031 0.000 1.096 88 N HN 0.763 nan 8.380 nan 0.000 0.446 89 V N -0.629 119.273 119.914 -0.020 0.000 2.394 89 V HA 0.834 4.954 4.120 -0.000 0.000 0.282 89 V C 0.140 176.209 176.094 -0.042 0.000 1.031 89 V CA -0.630 61.655 62.300 -0.026 0.000 0.881 89 V CB 0.910 32.724 31.823 -0.016 0.000 0.982 89 V HN 0.734 nan 8.190 nan 0.000 0.451 90 S N 2.162 117.828 115.700 -0.056 0.000 2.607 90 S HA 0.501 4.971 4.470 -0.000 0.000 0.273 90 S C 0.279 174.806 174.600 -0.121 0.000 1.148 90 S CA -0.497 57.659 58.200 -0.074 0.000 0.833 90 S CB 1.886 65.067 63.200 -0.032 0.000 1.130 90 S HN 0.728 nan 8.310 nan 0.000 0.470 91 E N 0.140 120.247 120.200 -0.154 0.000 2.268 91 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 91 E C -0.326 176.214 176.600 -0.099 0.000 0.995 91 E CA 0.710 56.994 56.400 -0.194 0.000 0.836 91 E CB -0.027 29.564 29.700 -0.183 0.000 0.763 91 E HN 0.609 nan 8.360 nan 0.000 0.491 92 D N 0.534 120.910 120.400 -0.040 0.000 2.483 92 D HA 0.009 4.649 4.640 -0.000 0.000 0.220 92 D C 0.196 176.577 176.300 0.134 0.000 1.173 92 D CA -0.266 53.743 54.000 0.015 0.000 0.964 92 D CB 0.028 40.862 40.800 0.057 0.000 1.046 92 D HN 0.145 nan 8.370 nan 0.000 0.517 93 c N 2.146 120.787 118.600 0.069 0.000 3.911 93 c HA 0.354 4.923 4.570 -0.000 0.000 0.318 93 c C 0.930 175.096 174.090 0.126 0.000 1.643 93 c CA -0.616 55.838 56.329 0.208 0.000 1.845 93 c CB -1.196 41.381 42.510 0.112 0.000 2.981 93 c HN 0.420 nan 8.230 nan 0.000 0.656 94 L N 2.526 123.578 121.223 -0.285 0.000 2.505 94 L HA 0.282 4.622 4.340 -0.000 0.000 0.275 94 L C -0.904 175.506 176.870 -0.766 0.000 1.264 94 L CA 0.842 55.389 54.840 -0.489 0.000 1.148 94 L CB -1.019 40.572 42.059 -0.779 0.000 1.377 94 L HN 0.393 nan 8.230 nan 0.000 0.442 95 Y N 1.513 121.894 120.300 0.135 0.000 2.545 95 Y HA 0.579 5.129 4.550 -0.000 0.000 0.348 95 Y C 0.178 176.273 175.900 0.324 0.000 1.002 95 Y CA -0.772 57.425 58.100 0.162 0.000 1.039 95 Y CB 2.131 40.624 38.460 0.055 0.000 1.271 95 Y HN 0.156 nan 8.280 nan 0.000 0.467 96 I N 2.308 123.072 120.570 0.323 0.000 2.707 96 I HA 0.380 4.549 4.170 -0.000 0.000 0.309 96 I C -0.924 175.259 176.117 0.110 0.000 1.001 96 I CA -0.942 60.472 61.300 0.189 0.000 1.129 96 I CB 1.617 39.546 38.000 -0.118 0.000 1.308 96 I HN 0.638 nan 8.210 nan 0.000 0.466 97 N N 3.963 122.729 118.700 0.111 0.000 2.249 97 N HA 0.535 5.275 4.740 -0.000 0.000 0.296 97 N C -1.416 174.046 175.510 -0.080 0.000 1.051 97 N CA -0.385 52.622 53.050 -0.073 0.000 0.815 97 N CB 2.821 41.230 38.487 -0.130 0.000 1.487 97 N HN 0.113 nan 8.380 nan 0.000 0.475 98 V N 1.409 121.190 119.914 -0.223 0.000 2.638 98 V HA 0.450 4.570 4.120 -0.000 0.000 0.306 98 V C -0.882 175.172 176.094 -0.067 0.000 1.052 98 V CA -0.801 61.427 62.300 -0.120 0.000 0.885 98 V CB 2.564 34.099 31.823 -0.481 0.000 0.999 98 V HN 0.578 nan 8.190 nan 0.000 0.424 99 W N 3.337 124.720 121.300 0.138 0.000 2.318 99 W HA 0.755 5.415 4.660 -0.001 0.000 0.315 99 W C -0.062 176.558 176.519 0.169 0.000 1.033 99 W CA -0.542 56.910 57.345 0.179 0.000 1.275 99 W CB 2.045 31.585 29.460 0.133 0.000 1.250 99 W HN 0.652 nan 8.180 nan 0.000 0.421 100 A N 6.317 129.385 122.820 0.412 0.000 2.330 100 A HA 0.719 5.039 4.320 -0.000 0.000 0.313 100 A C -2.574 175.143 177.584 0.222 0.000 1.124 100 A CA -1.654 50.580 52.037 0.329 0.000 0.774 100 A CB 1.342 20.605 19.000 0.438 0.000 1.198 100 A HN 0.198 nan 8.150 nan 0.000 0.465 101 P HA 0.239 nan 4.420 nan 0.000 0.267 101 P C 0.464 177.735 177.300 -0.050 0.000 1.200 101 P CA 0.365 63.489 63.100 0.041 0.000 0.772 101 P CB 0.735 32.455 31.700 0.033 0.000 0.855 138 T N 3.724 118.150 114.554 -0.212 0.000 2.164 138 T HA -0.053 4.297 4.350 -0.000 0.000 0.184 138 T C 0.424 175.141 174.700 0.027 0.000 1.084 138 T CA 1.203 63.318 62.100 0.026 0.000 2.212 138 T CB -1.182 67.716 68.868 0.050 0.000 0.932 138 T HN 1.333 nan 8.240 nan 0.000 0.386 139 N N 1.380 120.137 118.700 0.095 0.000 3.514 139 N HA 0.166 4.906 4.740 -0.000 0.000 0.141 139 N C -0.041 175.581 175.510 0.188 0.000 1.024 139 N CA -0.391 52.723 53.050 0.108 0.000 2.902 139 N CB -0.217 38.308 38.487 0.063 0.000 1.202 139 N HN 1.610 nan 8.380 nan 0.000 0.789 140 G N 1.083 110.007 108.800 0.207 0.000 2.226 140 G HA2 0.199 4.159 3.960 -0.000 0.000 0.257 140 G HA3 0.199 4.159 3.960 -0.000 0.000 0.257 140 G C -0.894 174.169 174.900 0.271 0.000 1.732 140 G CA -0.921 44.300 45.100 0.203 0.000 0.914 140 G HN 0.141 nan 8.290 nan 0.000 0.742 141 L N 1.746 123.065 121.223 0.161 0.000 2.482 141 L HA 0.247 4.587 4.340 -0.000 0.000 0.273 141 L C -1.679 175.136 176.870 -0.092 0.000 1.228 141 L CA -1.262 53.606 54.840 0.046 0.000 0.827 141 L CB 0.720 42.783 42.059 0.006 0.000 1.099 141 L HN 0.277 nan 8.230 nan 0.000 0.494 142 P HA 0.228 nan 4.420 nan 0.000 0.275 142 P C -0.983 176.115 177.300 -0.336 0.000 1.228 142 P CA 0.036 62.661 63.100 -0.791 0.000 0.786 142 P CB 0.652 31.543 31.700 -1.349 0.000 0.927 143 I N 2.771 123.211 120.570 -0.217 0.000 2.410 143 I HA 0.299 4.468 4.170 -0.000 0.000 0.286 143 I C -0.713 175.384 176.117 -0.032 0.000 1.009 143 I CA -0.713 60.547 61.300 -0.067 0.000 1.111 143 I CB 1.250 39.256 38.000 0.009 0.000 1.262 143 I HN 0.015 nan 8.210 nan 0.000 0.443 144 L N 7.569 128.807 121.223 0.026 0.000 2.287 144 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 144 L C -0.320 176.794 176.870 0.408 0.000 1.022 144 L CA -0.127 54.794 54.840 0.135 0.000 0.814 144 L CB 1.375 43.392 42.059 -0.069 0.000 1.217 144 L HN 0.426 nan 8.230 nan 0.000 0.420 145 I N 3.049 123.904 120.570 0.474 0.000 2.362 145 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 145 I C -0.773 175.509 176.117 0.274 0.000 0.994 145 I CA -0.485 61.059 61.300 0.407 0.000 1.158 145 I CB 1.209 39.396 38.000 0.312 0.000 1.315 145 I HN 0.630 nan 8.210 nan 0.000 0.451 146 W N 8.553 129.728 121.300 -0.209 0.000 2.390 146 W HA 0.597 5.257 4.660 -0.000 0.000 0.312 146 W C -1.636 174.556 176.519 -0.544 0.000 1.123 146 W CA -0.703 56.197 57.345 -0.743 0.000 1.202 146 W CB 1.235 30.242 29.460 -0.754 0.000 1.251 146 W HN 0.343 nan 8.180 nan 0.000 0.511 147 I N 8.922 128.712 120.570 -1.299 0.000 2.382 147 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 147 I C -0.173 175.024 176.117 -1.534 0.000 1.007 147 I CA -1.102 59.468 61.300 -1.217 0.000 1.142 147 I CB 0.809 38.337 38.000 -0.788 0.000 1.289 147 I HN 0.319 nan 8.210 nan 0.000 0.453 148 Y N 4.786 124.500 120.300 -0.977 0.000 2.385 148 Y HA 0.702 5.251 4.550 -0.000 0.000 0.346 148 Y C 0.706 176.441 175.900 -0.275 0.000 1.270 148 Y CA -0.725 57.003 58.100 -0.620 0.000 1.472 148 Y CB 0.015 38.423 38.460 -0.086 0.000 1.354 148 Y HN 0.499 nan 8.280 nan 0.000 0.611 149 G N -1.349 107.506 108.800 0.092 0.000 2.753 149 G HA2 0.519 4.479 3.960 -0.000 0.000 0.285 149 G HA3 0.519 4.479 3.960 -0.000 0.000 0.285 149 G C 0.065 175.045 174.900 0.134 0.000 1.344 149 G CA -0.996 44.108 45.100 0.007 0.000 1.050 149 G HN 1.659 nan 8.290 nan 0.000 0.532 150 G N -2.596 106.163 108.800 -0.068 0.000 2.334 150 G HA2 0.429 4.389 3.960 -0.000 0.000 0.222 150 G HA3 0.429 4.389 3.960 -0.000 0.000 0.222 150 G C 0.945 175.725 174.900 -0.199 0.000 1.077 150 G CA 0.728 45.784 45.100 -0.074 0.000 0.861 150 G HN 2.302 nan 8.290 nan 0.000 0.508 151 G N -0.294 108.268 108.800 -0.397 0.000 2.233 151 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.270 151 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.270 151 G C 0.918 175.685 174.900 -0.222 0.000 1.011 151 G CA 0.662 45.402 45.100 -0.601 0.000 0.762 151 G HN 1.742 nan 8.290 nan 0.000 0.511 152 F N -3.581 116.343 119.950 -0.043 0.000 3.021 152 F HA -0.295 4.231 4.527 -0.000 0.000 0.294 152 F C 2.030 177.871 175.800 0.067 0.000 0.761 152 F CA 1.857 59.881 58.000 0.041 0.000 1.102 152 F CB -1.409 37.449 39.000 -0.237 0.000 1.380 152 F HN 0.373 nan 8.300 nan 0.000 0.387 153 M N -1.431 118.257 119.600 0.147 0.000 2.638 153 M HA 0.203 4.683 4.480 -0.000 0.000 0.256 153 M C 1.208 177.676 176.300 0.280 0.000 1.282 153 M CA 1.654 57.065 55.300 0.185 0.000 1.155 153 M CB -0.032 32.672 32.600 0.172 0.000 1.345 153 M HN 0.235 nan 8.290 nan 0.000 0.523 154 T N -1.861 112.833 114.554 0.233 0.000 2.716 154 T HA 0.792 5.142 4.350 -0.000 0.000 0.286 154 T C 0.029 174.823 174.700 0.158 0.000 1.052 154 T CA -0.186 62.047 62.100 0.221 0.000 1.024 154 T CB 2.386 71.427 68.868 0.289 0.000 1.349 154 T HN 0.438 nan 8.240 nan 0.000 0.525 155 G N -0.542 108.287 108.800 0.049 0.000 2.465 155 G HA2 0.436 4.396 3.960 -0.000 0.000 0.681 155 G HA3 0.436 4.396 3.960 -0.000 0.000 0.681 155 G C -0.689 173.722 174.900 -0.815 0.000 1.340 155 G CA -0.119 44.873 45.100 -0.179 0.000 0.884 155 G HN 1.696 nan 8.290 nan 0.000 0.650 156 S N -0.642 114.422 115.700 -1.060 0.000 2.535 156 S HA 0.780 5.250 4.470 -0.000 0.000 0.272 156 S C 0.762 175.160 174.600 -0.337 0.000 1.149 156 S CA 0.619 58.340 58.200 -0.797 0.000 0.888 156 S CB 1.418 64.460 63.200 -0.264 0.000 1.110 156 S HN 2.353 nan 8.310 nan 0.000 0.463 157 A N 2.397 125.208 122.820 -0.016 0.000 2.238 157 A HA 0.187 4.506 4.320 -0.000 0.000 0.208 157 A C 1.741 179.510 177.584 0.309 0.000 1.177 157 A CA 1.222 53.486 52.037 0.379 0.000 0.804 157 A CB -0.874 18.380 19.000 0.423 0.000 0.823 157 A HN 1.188 nan 8.150 nan 0.000 0.482 158 T N -2.096 112.540 114.554 0.136 0.000 3.065 158 T HA 0.288 4.637 4.350 -0.000 0.000 0.252 158 T C 0.666 175.351 174.700 -0.025 0.000 1.099 158 T CA -0.275 61.868 62.100 0.072 0.000 1.063 158 T CB -0.608 68.267 68.868 0.012 0.000 0.948 158 T HN 0.250 nan 8.240 nan 0.000 0.506 159 L N 2.309 123.464 121.223 -0.115 0.000 2.543 159 L HA 0.081 4.421 4.340 -0.000 0.000 0.285 159 L C 1.352 177.995 176.870 -0.380 0.000 1.236 159 L CA -0.257 54.371 54.840 -0.354 0.000 0.871 159 L CB 0.174 41.815 42.059 -0.695 0.000 1.121 159 L HN 0.081 nan 8.230 nan 0.000 0.501 160 D N 1.782 121.960 120.400 -0.370 0.000 2.116 160 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 160 D C 1.887 177.926 176.300 -0.435 0.000 0.998 160 D CA 1.275 55.084 54.000 -0.319 0.000 0.836 160 D CB -0.017 40.612 40.800 -0.285 0.000 0.951 160 D HN 0.562 nan 8.370 nan 0.000 0.449 161 I N 0.097 120.298 120.570 -0.614 0.000 2.479 161 I HA -0.290 3.880 4.170 -0.000 0.000 0.258 161 I C 0.936 176.563 176.117 -0.816 0.000 1.165 161 I CA 1.313 62.208 61.300 -0.675 0.000 1.422 161 I CB -0.213 37.291 38.000 -0.826 0.000 1.087 161 I HN 0.088 nan 8.210 nan 0.000 0.441 162 Y N -0.880 118.947 120.300 -0.789 0.000 2.466 162 Y HA 0.263 4.813 4.550 -0.000 0.000 0.272 162 Y C 0.947 176.258 175.900 -0.983 0.000 1.169 162 Y CA -1.191 56.161 58.100 -1.247 0.000 1.285 162 Y CB -1.675 36.380 38.460 -0.675 0.000 1.078 162 Y HN 0.185 nan 8.280 nan 0.000 0.523 163 N N 1.566 119.961 118.700 -0.509 0.000 2.411 163 N HA 0.110 4.849 4.740 -0.000 0.000 0.265 163 N C 0.660 175.827 175.510 -0.573 0.000 1.266 163 N CA 0.609 53.435 53.050 -0.373 0.000 0.889 163 N CB 0.824 39.207 38.487 -0.173 0.000 1.069 163 N HN 0.216 nan 8.380 nan 0.000 0.476 164 A N 3.157 125.293 122.820 -1.141 0.000 2.462 164 A HA 0.125 4.445 4.320 -0.000 0.000 0.261 164 A C 1.136 178.247 177.584 -0.789 0.000 1.323 164 A CA -0.341 51.106 52.037 -0.984 0.000 0.913 164 A CB -0.091 18.154 19.000 -1.259 0.000 1.028 164 A HN 0.751 nan 8.150 nan 0.000 0.511 165 D N 0.888 121.010 120.400 -0.465 0.000 2.088 165 D HA -0.180 4.460 4.640 -0.000 0.000 0.191 165 D C 1.763 178.021 176.300 -0.071 0.000 0.992 165 D CA 1.431 55.382 54.000 -0.083 0.000 0.831 165 D CB -0.241 40.588 40.800 0.047 0.000 0.973 165 D HN 0.514 nan 8.370 nan 0.000 0.447 166 I N 0.617 121.138 120.570 -0.082 0.000 2.151 166 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 166 I C 2.611 178.683 176.117 -0.075 0.000 1.080 166 I CA 1.036 62.297 61.300 -0.064 0.000 1.339 166 I CB -0.237 37.721 38.000 -0.069 0.000 1.039 166 I HN 0.041 nan 8.210 nan 0.000 0.409 167 M N 0.555 120.094 119.600 -0.102 0.000 2.065 167 M HA -0.250 4.230 4.480 -0.000 0.000 0.259 167 M C 2.468 178.709 176.300 -0.099 0.000 1.069 167 M CA 2.329 57.557 55.300 -0.120 0.000 1.110 167 M CB -0.167 32.338 32.600 -0.158 0.000 1.328 167 M HN 0.294 nan 8.290 nan 0.000 0.405 168 A N 0.394 123.169 122.820 -0.075 0.000 1.851 168 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 168 A C 2.311 179.893 177.584 -0.002 0.000 1.195 168 A CA 2.370 54.405 52.037 -0.002 0.000 0.622 168 A CB -1.447 17.620 19.000 0.111 0.000 0.831 168 A HN 0.685 nan 8.150 nan 0.000 0.444 169 A N -0.624 122.200 122.820 0.007 0.000 1.834 169 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 169 A C 2.229 179.802 177.584 -0.019 0.000 1.203 169 A CA 2.237 54.276 52.037 0.004 0.000 0.621 169 A CB -1.335 17.672 19.000 0.011 0.000 0.841 169 A HN 0.576 nan 8.150 nan 0.000 0.446 170 V N -0.141 119.754 119.914 -0.032 0.000 2.392 170 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 170 V C 2.633 178.697 176.094 -0.050 0.000 1.059 170 V CA 2.148 64.424 62.300 -0.040 0.000 1.051 170 V CB -1.348 30.445 31.823 -0.050 0.000 0.658 170 V HN 0.676 nan 8.190 nan 0.000 0.455 171 G N -1.514 107.245 108.800 -0.069 0.000 2.683 171 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.213 171 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.213 171 G C 0.616 175.464 174.900 -0.086 0.000 1.142 171 G CA 0.420 45.467 45.100 -0.090 0.000 0.793 171 G HN 0.634 nan 8.290 nan 0.000 0.534 172 N N -0.663 118.000 118.700 -0.061 0.000 2.699 172 N HA -0.176 4.564 4.740 -0.000 0.000 0.257 172 N C -0.469 174.994 175.510 -0.078 0.000 1.077 172 N CA 0.149 53.170 53.050 -0.047 0.000 0.702 172 N CB -0.991 37.474 38.487 -0.037 0.000 0.886 172 N HN 0.503 nan 8.380 nan 0.000 0.549 173 V N -1.531 118.338 119.914 -0.074 0.000 3.206 173 V HA 0.661 4.781 4.120 -0.000 0.000 0.305 173 V C 0.095 176.175 176.094 -0.023 0.000 1.257 173 V CA -1.258 60.977 62.300 -0.109 0.000 1.057 173 V CB 1.788 33.491 31.823 -0.201 0.000 1.075 173 V HN 0.020 nan 8.190 nan 0.000 0.443 174 I N 1.857 122.417 120.570 -0.017 0.000 2.428 174 I HA 0.572 4.742 4.170 -0.000 0.000 0.289 174 I C -0.250 175.924 176.117 0.095 0.000 1.019 174 I CA -0.244 61.101 61.300 0.076 0.000 1.351 174 I CB 1.375 39.414 38.000 0.065 0.000 1.412 174 I HN 0.523 nan 8.210 nan 0.000 0.513 175 V N 5.507 125.552 119.914 0.219 0.000 2.569 175 V HA 0.709 4.829 4.120 -0.000 0.000 0.301 175 V C -0.002 176.386 176.094 0.491 0.000 1.044 175 V CA -0.603 61.872 62.300 0.292 0.000 0.874 175 V CB 1.696 33.633 31.823 0.190 0.000 1.002 175 V HN 0.907 nan 8.190 nan 0.000 0.424 176 A N 3.842 126.925 122.820 0.439 0.000 2.384 176 A HA 1.048 5.368 4.320 -0.000 0.000 0.312 176 A C -0.163 177.727 177.584 0.509 0.000 1.113 176 A CA -0.251 52.067 52.037 0.469 0.000 0.779 176 A CB 2.089 21.268 19.000 0.297 0.000 1.307 176 A HN 1.186 nan 8.150 nan 0.000 0.436 177 S N -0.505 115.514 115.700 0.531 0.000 2.651 177 S HA 0.954 5.424 4.470 -0.000 0.000 0.279 177 S C -0.783 174.059 174.600 0.404 0.000 1.148 177 S CA -0.502 57.945 58.200 0.412 0.000 0.837 177 S CB 1.411 64.926 63.200 0.525 0.000 1.138 177 S HN 1.961 nan 8.310 nan 0.000 0.478 178 F N -2.044 118.098 119.950 0.321 0.000 2.770 178 F HA 0.624 5.151 4.527 -0.000 0.000 0.313 178 F C -1.529 174.543 175.800 0.455 0.000 1.154 178 F CA -1.116 57.067 58.000 0.305 0.000 0.923 178 F CB 0.753 39.823 39.000 0.117 0.000 1.301 178 F HN 0.496 nan 8.300 nan 0.000 0.449 179 Q N 1.772 121.990 119.800 0.696 0.000 2.230 179 Q HA 0.400 4.739 4.340 -0.000 0.000 0.248 179 Q C -1.408 175.051 176.000 0.765 0.000 0.915 179 Q CA -0.471 55.716 55.803 0.640 0.000 0.900 179 Q CB 2.151 31.143 28.738 0.422 0.000 1.229 179 Q HN 0.829 nan 8.270 nan 0.000 0.439 180 Y N -2.130 118.474 120.300 0.506 0.000 2.492 180 Y HA 0.581 5.131 4.550 -0.000 0.000 0.346 180 Y C -0.359 175.740 175.900 0.332 0.000 0.997 180 Y CA -1.351 56.990 58.100 0.403 0.000 1.025 180 Y CB 1.028 39.692 38.460 0.339 0.000 1.263 180 Y HN 0.382 nan 8.280 nan 0.000 0.454 181 R N 2.174 122.852 120.500 0.297 0.000 2.585 181 R HA 0.416 4.756 4.340 -0.000 0.000 0.275 181 R C -0.361 176.109 176.300 0.285 0.000 1.018 181 R CA 0.049 56.275 56.100 0.210 0.000 1.072 181 R CB 0.557 30.970 30.300 0.188 0.000 0.953 181 R HN 0.718 nan 8.270 nan 0.000 0.419 182 V N -0.064 120.034 119.914 0.306 0.000 3.046 182 V HA 0.913 5.033 4.120 -0.000 0.000 0.316 182 V C 0.615 177.019 176.094 0.517 0.000 1.104 182 V CA -0.138 62.438 62.300 0.460 0.000 1.006 182 V CB 1.402 33.406 31.823 0.301 0.000 1.058 182 V HN 1.005 nan 8.190 nan 0.000 0.440 183 G N 1.149 110.241 108.800 0.486 0.000 2.645 183 G HA2 0.119 4.079 3.960 -0.000 0.000 0.239 183 G HA3 0.119 4.079 3.960 -0.000 0.000 0.239 183 G C 0.910 175.983 174.900 0.287 0.000 1.331 183 G CA 0.460 45.745 45.100 0.309 0.000 0.890 183 G HN 2.242 nan 8.290 nan 0.000 0.572 184 A N -1.236 121.593 122.820 0.015 0.000 2.024 184 A HA 0.185 4.504 4.320 -0.000 0.000 0.220 184 A C 2.173 179.786 177.584 0.049 0.000 1.164 184 A CA 2.578 54.568 52.037 -0.077 0.000 0.643 184 A CB -0.514 18.327 19.000 -0.266 0.000 0.806 184 A HN 0.987 nan 8.150 nan 0.000 0.451 185 F N -0.191 119.947 119.950 0.312 0.000 2.171 185 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 185 F C 2.440 178.371 175.800 0.219 0.000 1.090 185 F CA 1.239 59.429 58.000 0.317 0.000 1.293 185 F CB -0.590 38.516 39.000 0.177 0.000 1.013 185 F HN 0.286 nan 8.300 nan 0.000 0.486 186 G N -2.432 106.545 108.800 0.295 0.000 2.939 186 G HA2 0.077 4.037 3.960 -0.000 0.000 0.216 186 G HA3 0.077 4.037 3.960 -0.000 0.000 0.216 186 G C 0.514 175.049 174.900 -0.609 0.000 1.125 186 G CA 0.043 45.080 45.100 -0.106 0.000 0.766 186 G HN 0.316 nan 8.290 nan 0.000 0.541 187 F N -0.018 120.022 119.950 0.150 0.000 2.815 187 F HA 0.407 4.934 4.527 -0.000 0.000 0.335 187 F C -0.052 175.758 175.800 0.017 0.000 1.179 187 F CA -0.960 57.081 58.000 0.068 0.000 1.204 187 F CB 0.858 39.868 39.000 0.017 0.000 1.050 187 F HN -0.088 nan 8.300 nan 0.000 0.510 188 L N 1.798 123.046 121.223 0.041 0.000 2.369 188 L HA 0.267 4.607 4.340 -0.000 0.000 0.279 188 L C -0.510 176.353 176.870 -0.011 0.000 1.108 188 L CA -0.012 54.752 54.840 -0.127 0.000 0.852 188 L CB -0.286 41.417 42.059 -0.593 0.000 1.169 188 L HN 0.204 nan 8.230 nan 0.000 0.452 189 H N 5.239 124.265 119.070 -0.073 0.000 2.638 189 H HA 0.517 5.073 4.556 -0.000 0.000 0.317 189 H C -0.263 175.034 175.328 -0.052 0.000 1.006 189 H CA -0.438 55.593 56.048 -0.029 0.000 1.222 189 H CB 0.816 30.589 29.762 0.018 0.000 1.419 189 H HN 0.753 nan 8.280 nan 0.000 0.489 190 L N 3.728 124.758 121.223 -0.321 0.000 3.360 190 L HA 0.333 4.673 4.340 -0.000 0.000 0.303 190 L C 2.104 178.811 176.870 -0.272 0.000 1.218 190 L CA 0.533 55.213 54.840 -0.267 0.000 1.059 190 L CB 0.149 42.105 42.059 -0.172 0.000 1.468 190 L HN 0.641 nan 8.230 nan 0.000 0.614 191 A N 1.769 124.392 122.820 -0.327 0.000 1.915 191 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 191 A C -0.208 177.296 177.584 -0.133 0.000 1.198 191 A CA 2.300 54.233 52.037 -0.175 0.000 0.647 191 A CB -1.715 17.211 19.000 -0.123 0.000 0.825 191 A HN 0.267 nan 8.150 nan 0.000 0.456 192 P HA -0.122 nan 4.420 nan 0.000 0.218 192 P C 1.142 178.405 177.300 -0.061 0.000 1.148 192 P CA 1.120 64.170 63.100 -0.083 0.000 0.822 192 P CB -0.007 31.654 31.700 -0.066 0.000 0.784 193 E N -1.272 118.876 120.200 -0.088 0.000 2.482 193 E HA 0.043 4.393 4.350 -0.000 0.000 0.196 193 E C 0.915 177.475 176.600 -0.067 0.000 1.047 193 E CA 0.697 57.055 56.400 -0.070 0.000 0.869 193 E CB -0.118 29.533 29.700 -0.083 0.000 0.836 193 E HN 0.386 nan 8.360 nan 0.000 0.520 194 M N -0.145 119.421 119.600 -0.057 0.000 2.821 194 M HA 0.394 4.874 4.480 -0.000 0.000 0.304 194 M C -2.410 173.913 176.300 0.038 0.000 1.233 194 M CA -2.100 53.172 55.300 -0.047 0.000 0.851 194 M CB 1.393 33.954 32.600 -0.064 0.000 1.723 194 M HN -0.339 nan 8.290 nan 0.000 0.493 195 P HA 0.294 nan 4.420 nan 0.000 0.277 195 P C -0.168 177.256 177.300 0.206 0.000 1.240 195 P CA -0.312 62.891 63.100 0.172 0.000 0.798 195 P CB 0.780 32.619 31.700 0.232 0.000 0.979 196 S N 0.571 116.338 115.700 0.111 0.000 2.400 196 S HA -0.293 4.177 4.470 -0.000 0.000 0.234 196 S C 1.681 176.304 174.600 0.037 0.000 1.049 196 S CA 1.755 59.995 58.200 0.066 0.000 1.039 196 S CB -0.723 62.498 63.200 0.036 0.000 0.856 196 S HN 0.683 nan 8.310 nan 0.000 0.465 197 E N 0.292 120.495 120.200 0.005 0.000 2.114 197 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 197 E C 0.601 177.007 176.600 -0.324 0.000 1.008 197 E CA 1.295 57.563 56.400 -0.220 0.000 0.810 197 E CB -0.129 29.326 29.700 -0.408 0.000 0.739 197 E HN 0.644 nan 8.360 nan 0.000 0.456 198 F N -0.359 119.587 119.950 -0.007 0.000 2.645 198 F HA 0.356 4.883 4.527 -0.000 0.000 0.300 198 F C 1.645 177.436 175.800 -0.015 0.000 1.115 198 F CA 0.172 58.167 58.000 -0.008 0.000 1.355 198 F CB 0.005 39.001 39.000 -0.005 0.000 1.026 198 F HN 0.043 nan 8.300 nan 0.000 0.536 199 A N 0.060 122.945 122.820 0.108 0.000 1.948 199 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 199 A C 2.016 179.624 177.584 0.040 0.000 1.177 199 A CA 1.751 53.825 52.037 0.063 0.000 0.636 199 A CB -0.399 18.624 19.000 0.039 0.000 0.815 199 A HN 0.274 nan 8.150 nan 0.000 0.449 200 E N -0.689 119.522 120.200 0.019 0.000 2.463 200 E HA 0.077 4.427 4.350 -0.000 0.000 0.191 200 E C 1.489 178.103 176.600 0.023 0.000 1.083 200 E CA 0.359 56.754 56.400 -0.009 0.000 0.872 200 E CB -0.037 29.636 29.700 -0.044 0.000 0.966 200 E HN 0.620 nan 8.360 nan 0.000 0.491 201 E N 0.100 120.343 120.200 0.072 0.000 2.051 201 E HA 0.091 4.440 4.350 -0.000 0.000 0.189 201 E C 0.024 176.683 176.600 0.098 0.000 0.979 201 E CA 1.125 57.588 56.400 0.106 0.000 0.803 201 E CB 0.205 30.000 29.700 0.159 0.000 0.761 201 E HN 0.101 nan 8.360 nan 0.000 0.451 202 A N -0.134 122.719 122.820 0.054 0.000 3.453 202 A HA 0.326 4.646 4.320 -0.000 0.000 0.262 202 A C -2.193 175.411 177.584 0.032 0.000 1.026 202 A CA -0.921 51.134 52.037 0.030 0.000 0.938 202 A CB 0.401 19.360 19.000 -0.068 0.000 1.246 202 A HN 0.052 nan 8.150 nan 0.000 0.546 203 P HA 0.041 nan 4.420 nan 0.000 0.216 203 P C 1.051 178.531 177.300 0.300 0.000 1.150 203 P CA 2.321 65.502 63.100 0.134 0.000 0.837 203 P CB 0.136 31.881 31.700 0.075 0.000 0.786 204 G N -1.038 107.901 108.800 0.232 0.000 2.663 204 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.686 204 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.686 204 G C -0.190 174.825 174.900 0.191 0.000 1.288 204 G CA -0.259 44.986 45.100 0.241 0.000 0.836 204 G HN 0.170 nan 8.290 nan 0.000 0.584 205 N N -2.201 116.547 118.700 0.081 0.000 2.713 205 N HA -0.284 4.456 4.740 -0.000 0.000 0.251 205 N C 1.882 177.348 175.510 -0.072 0.000 1.117 205 N CA 2.182 55.211 53.050 -0.035 0.000 0.770 205 N CB -1.508 37.009 38.487 0.049 0.000 1.137 205 N HN 1.856 nan 8.380 nan 0.000 0.566 206 V N -2.998 116.892 119.914 -0.041 0.000 2.913 206 V HA 0.011 4.130 4.120 -0.000 0.000 0.260 206 V C 2.308 178.388 176.094 -0.024 0.000 1.098 206 V CA 2.120 64.491 62.300 0.119 0.000 1.121 206 V CB -0.766 31.091 31.823 0.056 0.000 0.714 206 V HN 0.273 nan 8.190 nan 0.000 0.487 207 G N 0.602 109.181 108.800 -0.368 0.000 2.422 207 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 207 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 207 G C 1.496 176.378 174.900 -0.029 0.000 1.140 207 G CA 1.027 46.042 45.100 -0.142 0.000 0.775 207 G HN 0.541 nan 8.290 nan 0.000 0.545 208 L N -1.497 119.567 121.223 -0.265 0.000 2.179 208 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 208 L C 2.648 179.136 176.870 -0.637 0.000 1.096 208 L CA 0.473 54.998 54.840 -0.524 0.000 0.779 208 L CB -0.356 41.124 42.059 -0.966 0.000 0.922 208 L HN 0.268 nan 8.230 nan 0.000 0.443 209 W N 0.846 121.877 121.300 -0.448 0.000 2.388 209 W HA -0.148 4.512 4.660 -0.000 0.000 0.294 209 W C 2.324 178.809 176.519 -0.057 0.000 1.212 209 W CA 0.649 57.861 57.345 -0.221 0.000 1.271 209 W CB -0.273 29.119 29.460 -0.113 0.000 1.126 209 W HN 0.142 nan 8.180 nan 0.000 0.535 210 D N 0.046 120.570 120.400 0.206 0.000 2.092 210 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 210 D C 1.992 178.355 176.300 0.106 0.000 0.994 210 D CA 1.660 55.825 54.000 0.274 0.000 0.828 210 D CB -0.804 40.212 40.800 0.359 0.000 0.963 210 D HN 0.331 nan 8.370 nan 0.000 0.450 211 Q N 0.547 120.367 119.800 0.032 0.000 2.077 211 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 211 Q C 2.291 178.157 176.000 -0.223 0.000 0.989 211 Q CA 1.618 57.348 55.803 -0.121 0.000 0.853 211 Q CB -0.251 28.468 28.738 -0.032 0.000 0.907 211 Q HN 0.238 nan 8.270 nan 0.000 0.418 212 A N 0.899 123.681 122.820 -0.063 0.000 1.940 212 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 212 A C 2.079 179.669 177.584 0.010 0.000 1.176 212 A CA 1.323 53.380 52.037 0.032 0.000 0.631 212 A CB -0.596 18.504 19.000 0.167 0.000 0.814 212 A HN 0.328 nan 8.150 nan 0.000 0.446 213 L N -0.511 120.732 121.223 0.033 0.000 2.056 213 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 213 L C 2.750 179.548 176.870 -0.120 0.000 1.078 213 L CA 1.993 56.881 54.840 0.080 0.000 0.749 213 L CB -0.672 41.538 42.059 0.253 0.000 0.901 213 L HN 0.341 nan 8.230 nan 0.000 0.433 214 A N -0.299 122.138 122.820 -0.639 0.000 1.902 214 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 214 A C 2.263 179.567 177.584 -0.466 0.000 1.181 214 A CA 2.147 53.518 52.037 -1.110 0.000 0.623 214 A CB -0.894 16.741 19.000 -2.275 0.000 0.818 214 A HN 0.499 nan 8.150 nan 0.000 0.443 215 I N -1.461 118.892 120.570 -0.361 0.000 2.315 215 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 215 I C 2.776 178.896 176.117 0.004 0.000 1.117 215 I CA 1.225 62.464 61.300 -0.101 0.000 1.404 215 I CB -0.304 37.671 38.000 -0.041 0.000 1.071 215 I HN 0.302 nan 8.210 nan 0.000 0.419 216 R N -0.186 120.327 120.500 0.021 0.000 2.075 216 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 216 R C 2.173 178.534 176.300 0.103 0.000 1.126 216 R CA 1.720 57.860 56.100 0.067 0.000 0.963 216 R CB -0.326 30.029 30.300 0.091 0.000 0.858 216 R HN 0.403 nan 8.270 nan 0.000 0.435 217 W N 1.057 122.330 121.300 -0.045 0.000 2.335 217 W HA -0.192 4.469 4.660 0.000 0.000 0.311 217 W C 1.542 178.070 176.519 0.015 0.000 1.213 217 W CA 1.412 58.758 57.345 0.002 0.000 1.274 217 W CB -0.272 29.191 29.460 0.004 0.000 1.148 217 W HN 0.013 nan 8.180 nan 0.000 0.498 218 L N 0.608 122.023 121.223 0.320 0.000 2.083 218 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 218 L C 2.460 179.341 176.870 0.018 0.000 1.083 218 L CA 1.805 56.761 54.840 0.194 0.000 0.752 218 L CB -0.870 41.308 42.059 0.197 0.000 0.899 218 L HN -0.073 nan 8.230 nan 0.000 0.433 219 K N -0.052 120.357 120.400 0.014 0.000 2.147 219 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 219 K C 1.580 178.145 176.600 -0.059 0.000 1.049 219 K CA 1.358 57.637 56.287 -0.014 0.000 0.936 219 K CB 0.064 32.566 32.500 0.003 0.000 0.722 219 K HN 0.237 nan 8.250 nan 0.000 0.446 220 D N 0.051 120.378 120.400 -0.121 0.000 2.194 220 D HA -0.066 4.573 4.640 -0.000 0.000 0.204 220 D C 0.678 176.849 176.300 -0.215 0.000 0.964 220 D CA 0.806 54.703 54.000 -0.171 0.000 0.846 220 D CB 0.012 40.668 40.800 -0.240 0.000 0.962 220 D HN 0.201 nan 8.370 nan 0.000 0.490 221 N N 0.263 118.776 118.700 -0.312 0.000 2.238 221 N HA 0.188 4.928 4.740 -0.000 0.000 0.222 221 N C 1.195 176.739 175.510 0.056 0.000 1.133 221 N CA -0.037 52.889 53.050 -0.207 0.000 0.854 221 N CB 0.979 39.181 38.487 -0.476 0.000 1.041 221 N HN 0.004 nan 8.380 nan 0.000 0.510 222 A N 0.914 123.737 122.820 0.006 0.000 1.851 222 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 222 A C 1.858 179.480 177.584 0.064 0.000 1.195 222 A CA 1.277 53.329 52.037 0.025 0.000 0.622 222 A CB -0.692 18.260 19.000 -0.079 0.000 0.831 222 A HN 0.301 nan 8.150 nan 0.000 0.444 223 H N -0.416 118.689 119.070 0.059 0.000 2.352 223 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 223 H C 2.511 177.855 175.328 0.026 0.000 1.097 223 H CA 1.440 57.515 56.048 0.044 0.000 1.311 223 H CB -0.629 29.140 29.762 0.011 0.000 1.377 223 H HN 0.509 nan 8.280 nan 0.000 0.504 224 A N 0.126 123.013 122.820 0.110 0.000 2.084 224 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 224 A C 1.628 179.080 177.584 -0.220 0.000 1.161 224 A CA 1.309 53.299 52.037 -0.078 0.000 0.653 224 A CB -0.797 18.099 19.000 -0.173 0.000 0.802 224 A HN 0.292 nan 8.150 nan 0.000 0.457 225 F N -1.850 118.105 119.950 0.009 0.000 2.682 225 F HA 0.397 4.924 4.527 -0.000 0.000 0.308 225 F C 1.664 177.498 175.800 0.058 0.000 1.093 225 F CA 0.602 58.609 58.000 0.011 0.000 1.244 225 F CB 0.706 39.699 39.000 -0.011 0.000 1.052 225 F HN 0.328 nan 8.300 nan 0.000 0.573 226 G N 0.354 109.276 108.800 0.204 0.000 2.159 226 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.227 226 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.227 226 G C 0.517 175.507 174.900 0.150 0.000 0.986 226 G CA -0.281 44.921 45.100 0.171 0.000 0.651 226 G HN 0.691 nan 8.290 nan 0.000 0.523 227 G N -0.592 108.286 108.800 0.130 0.000 2.437 227 G HA2 0.510 4.470 3.960 -0.000 0.000 0.319 227 G HA3 0.510 4.470 3.960 -0.000 0.000 0.319 227 G C -0.407 174.449 174.900 -0.073 0.000 1.158 227 G CA -0.208 44.926 45.100 0.055 0.000 0.899 227 G HN 0.417 nan 8.290 nan 0.000 0.502 228 N N 1.345 120.034 118.700 -0.017 0.000 2.501 228 N HA 0.311 5.051 4.740 -0.000 0.000 0.245 228 N C -1.673 173.806 175.510 -0.051 0.000 0.974 228 N CA -2.253 50.747 53.050 -0.083 0.000 0.941 228 N CB 2.090 40.681 38.487 0.174 0.000 1.122 228 N HN -0.047 nan 8.380 nan 0.000 0.507 229 P HA -0.186 nan 4.420 nan 0.000 0.219 229 P C 0.418 177.714 177.300 -0.007 0.000 1.153 229 P CA 1.457 64.510 63.100 -0.080 0.000 0.865 229 P CB 0.384 32.023 31.700 -0.102 0.000 0.788 230 E N -3.321 116.882 120.200 0.004 0.000 2.481 230 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 230 E C 0.374 177.028 176.600 0.089 0.000 1.047 230 E CA 0.260 56.667 56.400 0.012 0.000 0.867 230 E CB -0.088 29.591 29.700 -0.035 0.000 0.858 230 E HN 0.358 nan 8.360 nan 0.000 0.513 231 W N 1.584 122.830 121.300 -0.091 0.000 2.102 231 W HA 0.350 5.010 4.660 0.000 0.000 0.357 231 W C -0.551 175.916 176.519 -0.086 0.000 0.717 231 W CA -0.813 56.475 57.345 -0.095 0.000 2.518 231 W CB -0.504 28.905 29.460 -0.086 0.000 2.010 231 W HN -0.140 nan 8.180 nan 0.000 0.672 232 M N 1.749 121.415 119.600 0.110 0.000 2.404 232 M HA 0.384 4.864 4.480 -0.000 0.000 0.338 232 M C 0.415 176.717 176.300 0.004 0.000 1.150 232 M CA -0.294 55.025 55.300 0.031 0.000 1.016 232 M CB 2.303 34.928 32.600 0.043 0.000 1.672 232 M HN -0.045 nan 8.290 nan 0.000 0.448 233 T N 2.099 116.654 114.554 0.002 0.000 2.916 233 T HA 0.689 5.039 4.350 -0.000 0.000 0.298 233 T C -1.078 173.716 174.700 0.156 0.000 1.031 233 T CA -0.848 61.267 62.100 0.024 0.000 0.993 233 T CB 1.021 69.837 68.868 -0.085 0.000 1.045 233 T HN 0.590 nan 8.240 nan 0.000 0.454 234 L N 4.352 125.697 121.223 0.204 0.000 2.343 234 L HA 0.841 5.181 4.340 -0.000 0.000 0.275 234 L C -0.615 176.495 176.870 0.401 0.000 1.056 234 L CA -1.090 53.917 54.840 0.279 0.000 0.804 234 L CB 1.162 43.321 42.059 0.166 0.000 1.203 234 L HN 0.805 nan 8.230 nan 0.000 0.440 235 F N 0.136 120.119 119.950 0.056 0.000 2.619 235 F HA 0.948 5.475 4.527 -0.000 0.000 0.308 235 F C -0.373 175.369 175.800 -0.097 0.000 1.097 235 F CA -1.228 56.797 58.000 0.042 0.000 0.953 235 F CB 1.439 40.494 39.000 0.092 0.000 1.287 235 F HN 0.500 nan 8.300 nan 0.000 0.446 236 G N 0.847 109.533 108.800 -0.190 0.000 2.559 236 G HA2 0.508 4.468 3.960 -0.000 0.000 0.291 236 G HA3 0.508 4.468 3.960 -0.000 0.000 0.291 236 G C -2.564 172.152 174.900 -0.307 0.000 1.424 236 G CA -0.778 43.860 45.100 -0.770 0.000 0.786 236 G HN 0.892 nan 8.290 nan 0.000 0.485 237 E N 0.010 119.986 120.200 -0.373 0.000 2.317 237 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 237 E C 0.339 176.896 176.600 -0.071 0.000 0.885 237 E CA 0.265 56.636 56.400 -0.047 0.000 0.760 237 E CB 2.216 32.015 29.700 0.165 0.000 1.227 237 E HN 0.978 nan 8.360 nan 0.000 0.434 238 S N 1.547 117.269 115.700 0.038 0.000 3.643 238 S HA -0.322 4.148 4.470 -0.000 0.000 0.630 238 S C 1.277 175.963 174.600 0.142 0.000 2.469 238 S CA 1.202 59.477 58.200 0.125 0.000 3.568 238 S CB -1.559 61.648 63.200 0.010 0.000 0.271 238 S HN 1.001 nan 8.310 nan 0.000 1.199 239 A N 0.589 123.363 122.820 -0.077 0.000 1.978 239 A HA 0.076 4.395 4.320 -0.000 0.000 0.220 239 A C 2.398 179.777 177.584 -0.342 0.000 1.170 239 A CA 2.600 54.420 52.037 -0.361 0.000 0.636 239 A CB -1.535 16.779 19.000 -1.143 0.000 0.810 239 A HN 1.683 nan 8.150 nan 0.000 0.448 240 G N -1.119 107.491 108.800 -0.317 0.000 2.432 240 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 240 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 240 G C 1.874 176.581 174.900 -0.323 0.000 1.135 240 G CA 1.413 46.244 45.100 -0.448 0.000 0.767 240 G HN 0.573 nan 8.290 nan 0.000 0.550 241 S N 0.202 115.805 115.700 -0.161 0.000 2.357 241 S HA -0.067 4.403 4.470 -0.000 0.000 0.221 241 S C 2.669 177.280 174.600 0.018 0.000 1.031 241 S CA 1.651 59.824 58.200 -0.045 0.000 0.982 241 S CB -0.401 62.834 63.200 0.057 0.000 0.853 241 S HN 0.282 nan 8.310 nan 0.000 0.458 242 S N 1.311 117.063 115.700 0.086 0.000 2.387 242 S HA -0.085 4.385 4.470 -0.000 0.000 0.230 242 S C 2.133 176.786 174.600 0.089 0.000 1.035 242 S CA 1.518 59.772 58.200 0.091 0.000 1.014 242 S CB -0.515 62.806 63.200 0.202 0.000 0.836 242 S HN 0.612 nan 8.310 nan 0.000 0.466 243 S N 1.047 116.785 115.700 0.063 0.000 2.356 243 S HA -0.072 4.398 4.470 -0.000 0.000 0.223 243 S C 2.039 176.644 174.600 0.008 0.000 1.032 243 S CA 1.131 59.346 58.200 0.026 0.000 1.005 243 S CB -0.459 62.648 63.200 -0.155 0.000 0.867 243 S HN 0.352 nan 8.310 nan 0.000 0.449 244 V N 2.706 122.604 119.914 -0.027 0.000 2.324 244 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 244 V C 2.194 178.335 176.094 0.078 0.000 1.060 244 V CA 2.012 64.326 62.300 0.024 0.000 1.042 244 V CB -0.973 30.867 31.823 0.028 0.000 0.650 244 V HN 0.586 nan 8.190 nan 0.000 0.450 245 N N -0.031 118.713 118.700 0.073 0.000 2.058 245 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 245 N C 1.920 177.474 175.510 0.073 0.000 1.037 245 N CA 1.355 54.459 53.050 0.090 0.000 0.848 245 N CB -0.194 38.303 38.487 0.015 0.000 1.021 245 N HN 0.454 nan 8.380 nan 0.000 0.422 246 A N 0.814 123.674 122.820 0.067 0.000 1.902 246 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 246 A C 2.144 179.788 177.584 0.101 0.000 1.181 246 A CA 1.174 53.269 52.037 0.096 0.000 0.623 246 A CB -0.509 18.598 19.000 0.179 0.000 0.818 246 A HN 0.424 nan 8.150 nan 0.000 0.443 247 Q N -0.309 119.566 119.800 0.126 0.000 2.167 247 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 247 Q C 2.095 178.130 176.000 0.058 0.000 0.970 247 Q CA 0.956 56.821 55.803 0.105 0.000 0.855 247 Q CB -0.385 28.418 28.738 0.109 0.000 0.911 247 Q HN 0.725 nan 8.270 nan 0.000 0.438 248 L N -0.619 120.664 121.223 0.100 0.000 2.179 248 L HA -0.024 4.315 4.340 -0.000 0.000 0.208 248 L C 1.980 178.938 176.870 0.148 0.000 1.096 248 L CA 0.621 55.565 54.840 0.174 0.000 0.779 248 L CB -0.187 42.033 42.059 0.269 0.000 0.922 248 L HN 0.204 nan 8.230 nan 0.000 0.443 249 M N -1.326 118.305 119.600 0.052 0.000 2.492 249 M HA 0.109 4.588 4.480 -0.000 0.000 0.255 249 M C 1.179 177.409 176.300 -0.116 0.000 1.139 249 M CA 0.209 55.499 55.300 -0.017 0.000 1.096 249 M CB -0.335 32.266 32.600 0.002 0.000 1.360 249 M HN -0.021 nan 8.290 nan 0.000 0.480 250 S N 1.744 117.307 115.700 -0.228 0.000 2.563 250 S HA 0.040 4.510 4.470 -0.000 0.000 0.284 250 S C -1.507 172.879 174.600 -0.356 0.000 1.331 250 S CA -0.891 57.023 58.200 -0.478 0.000 1.047 250 S CB 0.926 63.448 63.200 -1.130 0.000 0.859 250 S HN -0.015 nan 8.310 nan 0.000 0.514 251 P HA -0.063 nan 4.420 nan 0.000 0.214 251 P C 1.594 178.778 177.300 -0.193 0.000 1.162 251 P CA 0.848 63.837 63.100 -0.186 0.000 0.874 251 P CB -0.113 31.503 31.700 -0.141 0.000 0.784 252 V N -0.250 119.486 119.914 -0.296 0.000 2.439 252 V HA -0.260 3.860 4.120 -0.000 0.000 0.253 252 V C 2.166 178.160 176.094 -0.168 0.000 1.074 252 V CA 2.722 64.889 62.300 -0.221 0.000 1.076 252 V CB -2.043 29.537 31.823 -0.404 0.000 0.664 252 V HN 0.367 nan 8.190 nan 0.000 0.461 253 T N -4.020 110.384 114.554 -0.251 0.000 2.954 253 T HA 0.148 4.498 4.350 -0.000 0.000 0.252 253 T C 0.898 175.561 174.700 -0.062 0.000 0.983 253 T CA -0.392 61.639 62.100 -0.115 0.000 0.941 253 T CB -0.076 68.729 68.868 -0.104 0.000 1.141 253 T HN 0.291 nan 8.240 nan 0.000 0.500 254 R N 1.583 122.035 120.500 -0.081 0.000 2.560 254 R HA 0.221 4.561 4.340 -0.000 0.000 0.296 254 R C 1.406 177.722 176.300 0.028 0.000 0.873 254 R CA 1.765 57.865 56.100 0.001 0.000 1.140 254 R CB -0.584 29.708 30.300 -0.014 0.000 0.875 254 R HN 0.703 nan 8.270 nan 0.000 0.419 255 G N 2.698 111.532 108.800 0.057 0.000 2.905 255 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.199 255 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.199 255 G C 0.547 175.436 174.900 -0.019 0.000 1.370 255 G CA -0.007 45.106 45.100 0.022 0.000 0.966 255 G HN 0.463 nan 8.290 nan 0.000 0.522 256 L N 1.225 122.444 121.223 -0.007 0.000 2.064 256 L HA 0.072 4.412 4.340 -0.000 0.000 0.216 256 L C 1.215 178.067 176.870 -0.029 0.000 1.077 256 L CA 2.323 57.157 54.840 -0.009 0.000 0.766 256 L CB -0.513 41.551 42.059 0.010 0.000 0.890 256 L HN 0.455 nan 8.230 nan 0.000 0.435 257 V N -2.030 117.858 119.914 -0.043 0.000 2.760 257 V HA 0.320 4.439 4.120 -0.000 0.000 0.309 257 V C 0.041 176.009 176.094 -0.209 0.000 1.077 257 V CA -0.958 61.296 62.300 -0.076 0.000 0.910 257 V CB 1.903 33.724 31.823 -0.003 0.000 1.008 257 V HN 0.081 nan 8.190 nan 0.000 0.424 258 K N 2.146 122.335 120.400 -0.352 0.000 2.536 258 K HA 0.370 4.690 4.320 -0.000 0.000 0.203 258 K C 0.121 176.499 176.600 -0.371 0.000 1.063 258 K CA -0.345 55.453 56.287 -0.816 0.000 1.063 258 K CB 1.194 33.053 32.500 -1.068 0.000 0.843 258 K HN 0.597 nan 8.250 nan 0.000 0.521 259 R N 0.490 120.914 120.500 -0.128 0.000 2.514 259 R HA 0.490 4.830 4.340 -0.000 0.000 0.296 259 R C -1.302 175.085 176.300 0.145 0.000 1.012 259 R CA -0.496 55.592 56.100 -0.021 0.000 0.897 259 R CB 1.612 31.792 30.300 -0.200 0.000 1.184 259 R HN 0.188 nan 8.270 nan 0.000 0.440 260 G N 3.079 112.093 108.800 0.357 0.000 2.718 260 G HA2 0.412 4.372 3.960 -0.000 0.000 0.295 260 G HA3 0.412 4.372 3.960 -0.000 0.000 0.295 260 G C -1.686 173.393 174.900 0.298 0.000 1.421 260 G CA -0.788 44.518 45.100 0.343 0.000 0.902 260 G HN 0.528 nan 8.290 nan 0.000 0.501 261 M N 2.305 122.025 119.600 0.201 0.000 2.125 261 M HA 0.629 5.109 4.480 -0.000 0.000 0.321 261 M C -1.064 175.287 176.300 0.084 0.000 0.983 261 M CA -0.661 54.647 55.300 0.012 0.000 0.934 261 M CB 1.176 33.723 32.600 -0.088 0.000 1.542 261 M HN 0.404 nan 8.290 nan 0.000 0.424 262 M N 5.177 124.807 119.600 0.050 0.000 2.044 262 M HA 0.336 4.816 4.480 -0.000 0.000 0.333 262 M C -1.046 175.301 176.300 0.077 0.000 1.004 262 M CA -0.330 55.010 55.300 0.066 0.000 0.954 262 M CB 1.575 34.219 32.600 0.074 0.000 1.468 262 M HN 0.608 nan 8.290 nan 0.000 0.414 263 Q N 1.513 121.392 119.800 0.132 0.000 2.360 263 Q HA 0.309 4.648 4.340 -0.000 0.000 0.254 263 Q C 0.008 176.088 176.000 0.133 0.000 0.975 263 Q CA -0.409 55.518 55.803 0.206 0.000 0.912 263 Q CB 1.050 29.963 28.738 0.293 0.000 1.212 263 Q HN 0.791 nan 8.270 nan 0.000 0.452 264 S N 1.546 117.320 115.700 0.122 0.000 3.477 264 S HA -0.167 4.303 4.470 -0.000 0.000 0.371 264 S C 0.045 174.900 174.600 0.424 0.000 0.965 264 S CA 0.583 58.909 58.200 0.209 0.000 1.239 264 S CB -1.112 62.089 63.200 0.001 0.000 0.918 264 S HN 0.957 nan 8.310 nan 0.000 0.498 265 G N 0.669 109.680 108.800 0.353 0.000 2.269 265 G HA2 0.522 4.482 3.960 -0.000 0.000 0.297 265 G HA3 0.522 4.482 3.960 -0.000 0.000 0.297 265 G C -0.763 174.230 174.900 0.155 0.000 1.340 265 G CA 0.073 45.431 45.100 0.429 0.000 1.240 265 G HN 0.709 nan 8.290 nan 0.000 0.596 266 T N 0.679 115.225 114.554 -0.013 0.000 2.912 266 T HA 0.449 4.799 4.350 -0.000 0.000 0.299 266 T C 1.430 175.891 174.700 -0.399 0.000 1.052 266 T CA -0.913 61.068 62.100 -0.199 0.000 0.996 266 T CB 1.824 70.582 68.868 -0.183 0.000 1.070 266 T HN 0.184 nan 8.240 nan 0.000 0.465 267 M N 2.546 121.889 119.600 -0.428 0.000 2.192 267 M HA -0.130 4.350 4.480 -0.000 0.000 0.259 267 M C 2.137 178.170 176.300 -0.446 0.000 1.071 267 M CA 1.684 56.745 55.300 -0.398 0.000 1.082 267 M CB -1.355 31.032 32.600 -0.355 0.000 1.373 267 M HN 0.895 nan 8.290 nan 0.000 0.408 268 N N 1.034 119.420 118.700 -0.523 0.000 2.453 268 N HA -0.023 4.717 4.740 -0.000 0.000 0.183 268 N C 0.513 175.841 175.510 -0.303 0.000 1.041 268 N CA 0.757 53.544 53.050 -0.439 0.000 0.900 268 N CB -0.662 37.626 38.487 -0.332 0.000 0.961 268 N HN 0.217 nan 8.380 nan 0.000 0.443 269 A N 2.410 124.982 122.820 -0.413 0.000 2.531 269 A HA 0.151 4.471 4.320 -0.000 0.000 0.236 269 A C -0.779 176.511 177.584 -0.491 0.000 1.062 269 A CA -0.874 50.828 52.037 -0.558 0.000 0.760 269 A CB 0.163 18.569 19.000 -0.991 0.000 0.995 269 A HN 0.179 nan 8.150 nan 0.000 0.501 270 P HA -0.175 nan 4.420 nan 0.000 0.216 270 P C 1.259 178.370 177.300 -0.315 0.000 1.150 270 P CA 1.885 64.804 63.100 -0.301 0.000 0.843 270 P CB -0.235 31.324 31.700 -0.235 0.000 0.787 271 W N -0.528 120.700 121.300 -0.119 0.000 2.937 271 W HA 0.283 4.943 4.660 -0.000 0.000 0.245 271 W C 1.157 177.675 176.519 -0.002 0.000 1.306 271 W CA 0.342 57.652 57.345 -0.058 0.000 1.470 271 W CB -1.450 27.990 29.460 -0.034 0.000 1.132 271 W HN -0.021 nan 8.180 nan 0.000 0.675 272 S N 0.560 115.937 115.700 -0.537 0.000 2.556 272 S HA 0.016 4.485 4.470 -0.000 0.000 0.216 272 S C 0.398 174.893 174.600 -0.174 0.000 0.970 272 S CA -0.160 57.828 58.200 -0.354 0.000 0.912 272 S CB -0.448 62.267 63.200 -0.807 0.000 0.790 272 S HN 0.419 nan 8.310 nan 0.000 0.504 273 H N -0.961 117.950 119.070 -0.264 0.000 3.008 273 H HA 0.669 5.225 4.556 -0.000 0.000 0.354 273 H C -1.127 174.100 175.328 -0.168 0.000 1.252 273 H CA -1.134 54.777 56.048 -0.228 0.000 1.117 273 H CB 1.097 30.732 29.762 -0.211 0.000 1.857 273 H HN 0.299 nan 8.280 nan 0.000 0.547 274 M N 2.004 121.532 119.600 -0.121 0.000 2.414 274 M HA 0.254 4.734 4.480 -0.000 0.000 0.287 274 M C -0.960 175.302 176.300 -0.064 0.000 1.181 274 M CA -0.374 54.844 55.300 -0.136 0.000 0.933 274 M CB 2.372 34.883 32.600 -0.148 0.000 1.732 274 M HN 0.966 nan 8.290 nan 0.000 0.486 275 T N 0.428 114.959 114.554 -0.040 0.000 2.795 275 T HA 0.118 4.468 4.350 -0.000 0.000 0.314 275 T C 0.885 175.570 174.700 -0.025 0.000 1.069 275 T CA 0.190 62.281 62.100 -0.015 0.000 1.071 275 T CB 1.127 69.996 68.868 0.000 0.000 0.988 275 T HN 0.743 nan 8.240 nan 0.000 0.543 276 S N 0.152 115.856 115.700 0.006 0.000 2.368 276 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 276 S C 1.814 176.494 174.600 0.134 0.000 1.029 276 S CA 1.359 59.605 58.200 0.076 0.000 0.988 276 S CB -0.679 62.627 63.200 0.177 0.000 0.838 276 S HN 0.778 nan 8.310 nan 0.000 0.462 277 E N 1.474 121.718 120.200 0.073 0.000 2.023 277 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 277 E C 2.084 178.708 176.600 0.040 0.000 1.003 277 E CA 1.464 57.894 56.400 0.052 0.000 0.809 277 E CB -0.321 29.395 29.700 0.027 0.000 0.755 277 E HN 0.367 nan 8.360 nan 0.000 0.449 278 K N 0.656 121.067 120.400 0.018 0.000 2.103 278 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 278 K C 1.817 178.426 176.600 0.014 0.000 1.048 278 K CA 1.518 57.806 56.287 0.002 0.000 0.930 278 K CB -0.532 31.954 32.500 -0.023 0.000 0.716 278 K HN 0.143 nan 8.250 nan 0.000 0.444 279 A N -0.169 122.675 122.820 0.039 0.000 1.930 279 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 279 A C 2.299 179.944 177.584 0.103 0.000 1.175 279 A CA 1.623 53.703 52.037 0.071 0.000 0.627 279 A CB -0.598 18.447 19.000 0.075 0.000 0.815 279 A HN 0.120 nan 8.150 nan 0.000 0.443 280 V N -0.137 119.849 119.914 0.121 0.000 2.427 280 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 280 V C 2.411 178.507 176.094 0.005 0.000 1.051 280 V CA 2.306 64.631 62.300 0.042 0.000 1.048 280 V CB -0.756 31.078 31.823 0.018 0.000 0.666 280 V HN 0.632 nan 8.190 nan 0.000 0.456 281 E N 0.111 120.317 120.200 0.010 0.000 2.017 281 E HA -0.202 4.147 4.350 -0.000 0.000 0.193 281 E C 2.147 178.742 176.600 -0.010 0.000 0.997 281 E CA 1.764 58.161 56.400 -0.004 0.000 0.804 281 E CB -0.250 29.448 29.700 -0.003 0.000 0.757 281 E HN 0.517 nan 8.360 nan 0.000 0.448 282 I N 0.607 121.173 120.570 -0.006 0.000 2.264 282 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 282 I C 2.425 178.525 176.117 -0.028 0.000 1.111 282 I CA 1.201 62.492 61.300 -0.014 0.000 1.382 282 I CB -0.613 37.380 38.000 -0.012 0.000 1.060 282 I HN 0.233 nan 8.210 nan 0.000 0.418 283 G N 0.850 109.631 108.800 -0.030 0.000 2.433 283 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 283 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 283 G C 1.730 176.585 174.900 -0.074 0.000 1.186 283 G CA 0.609 45.668 45.100 -0.068 0.000 0.779 283 G HN 0.308 nan 8.290 nan 0.000 0.543 284 K N 0.579 120.947 120.400 -0.053 0.000 2.063 284 K HA -0.026 4.294 4.320 -0.000 0.000 0.208 284 K C 2.977 179.557 176.600 -0.034 0.000 1.048 284 K CA 1.002 57.261 56.287 -0.046 0.000 0.928 284 K CB -0.281 32.198 32.500 -0.035 0.000 0.713 284 K HN 0.271 nan 8.250 nan 0.000 0.442 285 A N 1.732 124.537 122.820 -0.025 0.000 1.873 285 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 285 A C 2.137 179.712 177.584 -0.014 0.000 1.193 285 A CA 1.620 53.649 52.037 -0.013 0.000 0.629 285 A CB -0.775 18.222 19.000 -0.005 0.000 0.826 285 A HN 0.293 nan 8.150 nan 0.000 0.447 286 L N 0.025 121.230 121.223 -0.030 0.000 2.043 286 L HA -0.204 4.135 4.340 -0.000 0.000 0.212 286 L C 2.160 179.015 176.870 -0.026 0.000 1.075 286 L CA 1.835 56.654 54.840 -0.035 0.000 0.752 286 L CB -0.494 41.518 42.059 -0.078 0.000 0.891 286 L HN 0.401 nan 8.230 nan 0.000 0.432 287 I N 0.215 120.762 120.570 -0.039 0.000 2.069 287 I HA -0.346 3.823 4.170 -0.000 0.000 0.237 287 I C 2.348 178.464 176.117 -0.001 0.000 1.053 287 I CA 1.752 63.038 61.300 -0.023 0.000 1.311 287 I CB -1.723 36.257 38.000 -0.034 0.000 1.030 287 I HN 0.424 nan 8.210 nan 0.000 0.398 288 N N 1.058 119.756 118.700 -0.004 0.000 2.104 288 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 288 N C 1.373 176.891 175.510 0.013 0.000 1.024 288 N CA 1.650 54.702 53.050 0.004 0.000 0.853 288 N CB -0.523 37.964 38.487 0.000 0.000 1.008 288 N HN 0.410 nan 8.380 nan 0.000 0.424 289 D N -0.322 120.086 120.400 0.014 0.000 2.311 289 D HA -0.056 4.584 4.640 -0.000 0.000 0.212 289 D C 1.111 177.430 176.300 0.032 0.000 0.972 289 D CA 0.601 54.616 54.000 0.025 0.000 0.887 289 D CB -0.075 40.743 40.800 0.029 0.000 0.915 289 D HN 0.316 nan 8.370 nan 0.000 0.497 290 C N -0.197 119.121 119.300 0.031 0.000 2.906 290 C HA 0.268 4.728 4.460 -0.000 0.000 0.274 290 C C 0.961 175.977 174.990 0.042 0.000 1.257 290 C CA -0.419 58.624 59.018 0.042 0.000 1.695 290 C CB -0.998 26.771 27.740 0.049 0.000 1.958 290 C HN 0.329 nan 8.230 nan 0.000 0.619 291 N N -1.424 117.296 118.700 0.034 0.000 2.900 291 N HA -0.162 4.577 4.740 -0.000 0.000 0.182 291 N C 0.042 175.573 175.510 0.035 0.000 1.439 291 N CA 1.451 54.522 53.050 0.034 0.000 1.810 291 N CB -1.654 36.855 38.487 0.038 0.000 0.985 291 N HN 0.503 nan 8.380 nan 0.000 0.579 292 c N 3.426 122.051 118.600 0.042 0.000 2.642 292 c HA 0.227 4.797 4.570 -0.000 0.000 0.420 292 c C 0.756 174.860 174.090 0.024 0.000 1.349 292 c CA -0.823 55.533 56.329 0.047 0.000 1.821 292 c CB -0.594 41.950 42.510 0.056 0.000 2.637 292 c HN 0.209 nan 8.230 nan 0.000 0.605 293 N N 2.014 120.723 118.700 0.015 0.000 2.415 293 N HA 0.255 4.995 4.740 -0.000 0.000 0.246 293 N C 0.875 176.377 175.510 -0.014 0.000 1.078 293 N CA 0.030 53.077 53.050 -0.005 0.000 0.942 293 N CB 1.235 39.713 38.487 -0.016 0.000 1.140 293 N HN 0.857 nan 8.380 nan 0.000 0.501 294 A N 2.206 125.016 122.820 -0.017 0.000 2.084 294 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 294 A C 2.121 179.684 177.584 -0.035 0.000 1.161 294 A CA 1.900 53.920 52.037 -0.028 0.000 0.653 294 A CB -0.433 18.550 19.000 -0.028 0.000 0.802 294 A HN 0.665 nan 8.150 nan 0.000 0.457 295 S N -0.624 115.057 115.700 -0.032 0.000 2.419 295 S HA -0.100 4.369 4.470 -0.000 0.000 0.233 295 S C 1.714 176.287 174.600 -0.046 0.000 1.016 295 S CA 1.480 59.659 58.200 -0.036 0.000 0.974 295 S CB -0.548 62.633 63.200 -0.031 0.000 0.786 295 S HN 0.555 nan 8.310 nan 0.000 0.492 296 M N 0.729 120.298 119.600 -0.051 0.000 2.659 296 M HA 0.246 4.726 4.480 -0.000 0.000 0.243 296 M C 1.622 177.876 176.300 -0.076 0.000 1.111 296 M CA 0.212 55.473 55.300 -0.065 0.000 1.070 296 M CB -0.453 32.101 32.600 -0.077 0.000 1.525 296 M HN 0.319 nan 8.290 nan 0.000 0.517 297 L N 0.232 121.410 121.223 -0.074 0.000 2.043 297 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 297 L C 2.618 179.410 176.870 -0.129 0.000 1.075 297 L CA 1.436 56.216 54.840 -0.100 0.000 0.752 297 L CB -0.420 41.586 42.059 -0.087 0.000 0.891 297 L HN 0.296 nan 8.230 nan 0.000 0.432 298 K N -0.782 119.560 120.400 -0.097 0.000 2.031 298 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 298 K C 2.117 178.660 176.600 -0.095 0.000 1.049 298 K CA 1.880 58.113 56.287 -0.090 0.000 0.939 298 K CB -0.447 32.019 32.500 -0.056 0.000 0.717 298 K HN 0.501 nan 8.250 nan 0.000 0.438 299 T N -0.270 114.235 114.554 -0.081 0.000 2.668 299 T HA -0.035 4.315 4.350 -0.000 0.000 0.258 299 T C 1.101 175.749 174.700 -0.087 0.000 1.051 299 T CA 0.728 62.788 62.100 -0.067 0.000 1.155 299 T CB -0.095 68.740 68.868 -0.055 0.000 0.864 299 T HN -0.069 nan 8.240 nan 0.000 0.413 300 N N 2.302 120.942 118.700 -0.099 0.000 2.976 300 N HA 0.321 5.061 4.740 -0.000 0.000 0.255 300 N C -2.339 173.087 175.510 -0.140 0.000 1.312 300 N CA -1.445 51.550 53.050 -0.091 0.000 0.897 300 N CB 1.743 40.206 38.487 -0.040 0.000 1.184 300 N HN 0.258 nan 8.380 nan 0.000 0.497 301 P HA -0.149 nan 4.420 nan 0.000 0.212 301 P C 1.325 178.463 177.300 -0.269 0.000 1.178 301 P CA 1.451 64.283 63.100 -0.446 0.000 0.915 301 P CB 0.371 31.430 31.700 -1.068 0.000 0.788 302 A N -0.856 121.805 122.820 -0.264 0.000 2.009 302 A HA -0.319 4.001 4.320 -0.000 0.000 0.222 302 A C 2.363 179.968 177.584 0.036 0.000 1.175 302 A CA 2.059 54.112 52.037 0.026 0.000 0.651 302 A CB -1.826 17.285 19.000 0.185 0.000 0.815 302 A HN 0.276 nan 8.150 nan 0.000 0.459 303 H N 0.017 119.066 119.070 -0.036 0.000 2.307 303 H HA -0.091 4.465 4.556 -0.000 0.000 0.303 303 H C 2.361 177.684 175.328 -0.009 0.000 1.073 303 H CA 2.423 58.464 56.048 -0.013 0.000 1.338 303 H CB -0.353 29.397 29.762 -0.020 0.000 1.389 303 H HN 0.417 nan 8.280 nan 0.000 0.503 304 V N -0.707 119.307 119.914 0.166 0.000 2.427 304 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 304 V C 2.435 178.568 176.094 0.065 0.000 1.051 304 V CA 1.424 63.791 62.300 0.112 0.000 1.048 304 V CB -0.610 31.239 31.823 0.043 0.000 0.666 304 V HN 0.160 nan 8.190 nan 0.000 0.456 305 M N 1.036 120.663 119.600 0.046 0.000 2.132 305 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 305 M C 2.604 178.948 176.300 0.074 0.000 1.065 305 M CA 2.243 57.591 55.300 0.080 0.000 1.122 305 M CB -1.530 31.119 32.600 0.082 0.000 1.365 305 M HN 0.660 nan 8.290 nan 0.000 0.411 306 S N -0.487 115.219 115.700 0.011 0.000 2.399 306 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 306 S C 2.267 176.850 174.600 -0.029 0.000 1.022 306 S CA 1.526 59.705 58.200 -0.035 0.000 0.983 306 S CB -0.400 62.721 63.200 -0.132 0.000 0.803 306 S HN 0.629 nan 8.310 nan 0.000 0.480 307 c N 1.512 120.106 118.600 -0.009 0.000 2.476 307 c HA 0.099 4.669 4.570 -0.000 0.000 0.278 307 c C 2.676 176.805 174.090 0.065 0.000 1.274 307 c CA 0.887 57.233 56.329 0.028 0.000 1.713 307 c CB -1.263 41.290 42.510 0.072 0.000 2.039 307 c HN 0.563 nan 8.230 nan 0.000 0.484 308 M N 0.572 120.236 119.600 0.107 0.000 2.213 308 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 308 M C 2.038 178.440 176.300 0.169 0.000 1.062 308 M CA 1.433 56.846 55.300 0.188 0.000 1.105 308 M CB -1.244 31.537 32.600 0.300 0.000 1.385 308 M HN 0.466 nan 8.290 nan 0.000 0.417 309 R N -0.748 119.808 120.500 0.093 0.000 2.320 309 R HA 0.110 4.450 4.340 -0.000 0.000 0.211 309 R C 1.501 177.799 176.300 -0.003 0.000 0.931 309 R CA 0.197 56.291 56.100 -0.010 0.000 1.071 309 R CB 0.074 30.361 30.300 -0.023 0.000 1.025 309 R HN 0.273 nan 8.270 nan 0.000 0.495 310 S N 0.012 115.726 115.700 0.025 0.000 2.527 310 S HA 0.022 4.491 4.470 -0.000 0.000 0.227 310 S C 0.787 175.408 174.600 0.035 0.000 1.059 310 S CA -0.303 57.908 58.200 0.020 0.000 0.919 310 S CB 0.578 63.786 63.200 0.013 0.000 0.805 310 S HN 0.198 nan 8.310 nan 0.000 0.500 311 V N 3.320 123.268 119.914 0.056 0.000 2.843 311 V HA 0.185 4.305 4.120 -0.000 0.000 0.305 311 V C -0.766 175.374 176.094 0.077 0.000 1.065 311 V CA -0.508 61.832 62.300 0.067 0.000 1.116 311 V CB 0.358 32.229 31.823 0.081 0.000 0.968 311 V HN 0.198 nan 8.190 nan 0.000 0.487 312 D N 4.394 124.841 120.400 0.077 0.000 2.443 312 D HA 0.400 5.040 4.640 -0.000 0.000 0.239 312 D C 1.147 177.533 176.300 0.143 0.000 1.136 312 D CA 0.873 54.926 54.000 0.087 0.000 0.879 312 D CB 1.293 42.136 40.800 0.072 0.000 1.195 312 D HN 0.857 nan 8.370 nan 0.000 0.443 313 A N 3.342 126.261 122.820 0.165 0.000 1.927 313 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 313 A C 2.041 179.824 177.584 0.332 0.000 1.185 313 A CA 1.340 53.559 52.037 0.304 0.000 0.639 313 A CB -0.347 18.727 19.000 0.123 0.000 0.820 313 A HN 0.410 nan 8.150 nan 0.000 0.451 314 K N -0.657 119.858 120.400 0.191 0.000 2.152 314 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 314 K C 2.073 178.777 176.600 0.174 0.000 1.048 314 K CA 1.840 58.230 56.287 0.172 0.000 0.933 314 K CB -0.733 31.831 32.500 0.107 0.000 0.721 314 K HN 0.579 nan 8.250 nan 0.000 0.447 315 T N 1.544 116.187 114.554 0.149 0.000 2.737 315 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 315 T C 2.045 176.822 174.700 0.129 0.000 1.038 315 T CA 1.270 63.443 62.100 0.122 0.000 1.144 315 T CB -0.119 68.807 68.868 0.097 0.000 0.866 315 T HN 0.156 nan 8.240 nan 0.000 0.434 316 I N 0.987 121.640 120.570 0.139 0.000 2.179 316 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 316 I C 2.811 178.975 176.117 0.078 0.000 1.088 316 I CA 0.963 62.292 61.300 0.049 0.000 1.357 316 I CB -0.473 37.478 38.000 -0.082 0.000 1.051 316 I HN 0.232 nan 8.210 nan 0.000 0.409 317 S N 0.332 116.196 115.700 0.273 0.000 2.380 317 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 317 S C 1.968 176.765 174.600 0.327 0.000 1.043 317 S CA 1.846 60.270 58.200 0.373 0.000 1.038 317 S CB -0.187 63.256 63.200 0.404 0.000 0.872 317 S HN 0.249 nan 8.310 nan 0.000 0.456 318 V N 1.558 121.628 119.914 0.259 0.000 2.300 318 V HA -0.023 4.097 4.120 -0.000 0.000 0.241 318 V C 2.603 178.847 176.094 0.251 0.000 1.034 318 V CA 1.256 63.718 62.300 0.271 0.000 1.021 318 V CB -0.710 31.213 31.823 0.166 0.000 0.662 318 V HN 0.392 nan 8.190 nan 0.000 0.458 319 Q N 0.861 120.754 119.800 0.155 0.000 2.308 319 Q HA -0.277 4.063 4.340 -0.000 0.000 0.209 319 Q C 2.262 178.318 176.000 0.094 0.000 0.985 319 Q CA 1.991 57.863 55.803 0.115 0.000 0.881 319 Q CB -0.585 28.196 28.738 0.073 0.000 0.917 319 Q HN 0.935 nan 8.270 nan 0.000 0.443 320 Q N -1.286 118.544 119.800 0.051 0.000 2.167 320 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 320 Q C 1.477 177.450 176.000 -0.045 0.000 0.970 320 Q CA 1.151 56.918 55.803 -0.059 0.000 0.855 320 Q CB -0.647 27.983 28.738 -0.180 0.000 0.911 320 Q HN 0.373 nan 8.270 nan 0.000 0.438 321 W N 1.740 123.099 121.300 0.099 0.000 2.525 321 W HA -0.009 4.651 4.660 -0.000 0.000 0.259 321 W C 1.699 178.299 176.519 0.135 0.000 1.253 321 W CA 0.443 57.863 57.345 0.125 0.000 1.262 321 W CB -0.033 29.473 29.460 0.076 0.000 1.122 321 W HN 0.251 nan 8.180 nan 0.000 0.607 322 N N -0.280 118.587 118.700 0.278 0.000 2.272 322 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 322 N C 1.305 176.922 175.510 0.178 0.000 1.014 322 N CA 1.403 54.573 53.050 0.200 0.000 0.870 322 N CB -0.683 37.877 38.487 0.122 0.000 0.975 322 N HN -0.015 nan 8.380 nan 0.000 0.433 323 S N 0.080 115.871 115.700 0.150 0.000 2.720 323 S HA -0.032 4.438 4.470 -0.000 0.000 0.222 323 S C 0.084 174.768 174.600 0.140 0.000 0.958 323 S CA -0.300 57.960 58.200 0.100 0.000 0.943 323 S CB -0.463 62.761 63.200 0.039 0.000 0.779 323 S HN 0.334 nan 8.310 nan 0.000 0.526 324 Y N 3.211 123.589 120.300 0.130 0.000 2.627 324 Y HA 0.232 4.782 4.550 -0.000 0.000 0.347 324 Y C 1.324 177.262 175.900 0.064 0.000 1.099 324 Y CA -1.035 57.152 58.100 0.144 0.000 1.408 324 Y CB -0.210 38.485 38.460 0.390 0.000 1.247 324 Y HN 0.236 nan 8.280 nan 0.000 0.506 325 S N 2.852 118.371 115.700 -0.302 0.000 2.310 325 S HA 0.267 4.737 4.470 -0.000 0.000 0.201 325 S C 1.110 175.484 174.600 -0.377 0.000 1.032 325 S CA 0.370 58.419 58.200 -0.250 0.000 0.993 325 S CB -0.851 62.246 63.200 -0.171 0.000 0.970 325 S HN 0.666 nan 8.310 nan 0.000 0.446 326 G N 0.337 108.879 108.800 -0.431 0.000 2.613 326 G HA2 0.624 4.584 3.960 -0.000 0.000 0.303 326 G HA3 0.624 4.584 3.960 -0.000 0.000 0.303 326 G C -0.663 173.912 174.900 -0.541 0.000 1.312 326 G CA -1.093 43.790 45.100 -0.361 0.000 1.036 326 G HN 0.662 nan 8.290 nan 0.000 0.513 327 I N -0.044 120.353 120.570 -0.289 0.000 2.556 327 I HA 0.187 4.357 4.170 -0.000 0.000 0.284 327 I C 0.533 176.353 176.117 -0.496 0.000 1.114 327 I CA -0.078 61.069 61.300 -0.255 0.000 1.418 327 I CB 0.177 38.158 38.000 -0.032 0.000 1.394 327 I HN 0.590 nan 8.210 nan 0.000 0.552 328 L N 5.335 126.210 121.223 -0.581 0.000 3.634 328 L HA -0.209 4.131 4.340 -0.000 0.000 0.423 328 L C -0.028 176.580 176.870 -0.437 0.000 1.253 328 L CA 0.437 54.868 54.840 -0.681 0.000 0.885 328 L CB -1.671 39.696 42.059 -1.154 0.000 1.789 328 L HN 0.740 nan 8.230 nan 0.000 0.904 329 S N -0.103 115.228 115.700 -0.615 0.000 2.312 329 S HA 0.552 5.022 4.470 -0.000 0.000 0.173 329 S C -0.195 174.196 174.600 -0.349 0.000 1.488 329 S CA -0.569 57.434 58.200 -0.327 0.000 1.239 329 S CB 0.153 63.180 63.200 -0.289 0.000 1.215 329 S HN 0.206 nan 8.310 nan 0.000 0.438 330 F N 2.725 122.755 119.950 0.133 0.000 2.382 330 F HA 0.390 4.917 4.527 -0.000 0.000 0.331 330 F C -0.880 174.940 175.800 0.033 0.000 1.121 330 F CA -1.907 56.215 58.000 0.203 0.000 1.183 330 F CB 0.095 39.222 39.000 0.212 0.000 1.207 330 F HN 0.268 nan 8.300 nan 0.000 0.555 331 P HA -0.098 nan 4.420 nan 0.000 0.215 331 P C -0.221 177.072 177.300 -0.012 0.000 1.153 331 P CA 1.210 64.316 63.100 0.009 0.000 0.853 331 P CB 0.114 31.762 31.700 -0.087 0.000 0.788 332 S N -0.872 114.816 115.700 -0.019 0.000 2.549 332 S HA 0.725 5.195 4.470 -0.000 0.000 0.297 332 S C -0.104 174.301 174.600 -0.325 0.000 1.115 332 S CA -0.136 57.988 58.200 -0.127 0.000 1.059 332 S CB 1.806 64.988 63.200 -0.030 0.000 1.046 332 S HN 0.335 nan 8.310 nan 0.000 0.506 333 A N 2.322 124.716 122.820 -0.711 0.000 2.549 333 A HA 0.667 4.987 4.320 -0.000 0.000 0.291 333 A C -3.393 173.625 177.584 -0.944 0.000 1.034 333 A CA -1.340 50.104 52.037 -0.988 0.000 0.655 333 A CB 0.039 18.802 19.000 -0.395 0.000 1.299 333 A HN 0.493 nan 8.150 nan 0.000 0.427 334 P HA 0.226 nan 4.420 nan 0.000 0.260 334 P C -0.371 176.809 177.300 -0.199 0.000 1.185 334 P CA 0.865 63.731 63.100 -0.390 0.000 0.763 334 P CB 0.310 31.831 31.700 -0.298 0.000 0.776 335 T N 4.812 119.308 114.554 -0.098 0.000 2.795 335 T HA 0.393 4.742 4.350 -0.000 0.000 0.282 335 T C 0.682 175.322 174.700 -0.099 0.000 0.980 335 T CA -0.537 61.482 62.100 -0.135 0.000 1.012 335 T CB 0.474 69.194 68.868 -0.246 0.000 0.936 335 T HN 0.209 nan 8.240 nan 0.000 0.457 336 I N 4.346 124.866 120.570 -0.083 0.000 2.576 336 I HA 0.052 4.222 4.170 -0.000 0.000 0.288 336 I C 0.571 176.667 176.117 -0.035 0.000 1.126 336 I CA 0.109 61.388 61.300 -0.035 0.000 1.362 336 I CB 0.170 38.160 38.000 -0.016 0.000 1.419 336 I HN 0.741 nan 8.210 nan 0.000 0.533 337 D N 4.193 124.608 120.400 0.025 0.000 2.513 337 D HA 0.097 4.737 4.640 -0.000 0.000 0.222 337 D C 1.194 177.574 176.300 0.133 0.000 1.210 337 D CA -0.056 54.005 54.000 0.101 0.000 0.825 337 D CB 0.474 41.369 40.800 0.158 0.000 1.037 337 D HN 0.633 nan 8.370 nan 0.000 0.506 338 G N 0.089 108.943 108.800 0.090 0.000 2.269 338 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.277 338 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.277 338 G C 0.763 175.728 174.900 0.109 0.000 1.008 338 G CA 0.943 46.091 45.100 0.080 0.000 0.774 338 G HN 0.835 nan 8.290 nan 0.000 0.511 339 A N -1.110 121.802 122.820 0.152 0.000 1.857 339 A HA 0.734 5.053 4.320 -0.000 0.000 0.192 339 A C 1.493 179.181 177.584 0.172 0.000 2.203 339 A CA 1.043 53.218 52.037 0.231 0.000 1.377 339 A CB -0.319 18.911 19.000 0.384 0.000 0.976 339 A HN 0.667 nan 8.150 nan 0.000 0.594 340 F N -0.088 119.879 119.950 0.028 0.000 2.234 340 F HA 0.283 4.810 4.527 -0.000 0.000 0.296 340 F C 0.214 175.942 175.800 -0.120 0.000 1.089 340 F CA 1.054 58.939 58.000 -0.191 0.000 1.343 340 F CB 0.284 39.043 39.000 -0.401 0.000 1.040 340 F HN 0.061 nan 8.300 nan 0.000 0.498 341 L N 1.702 122.984 121.223 0.098 0.000 2.435 341 L HA 0.308 4.648 4.340 -0.000 0.000 0.253 341 L C -1.700 175.175 176.870 0.008 0.000 1.087 341 L CA -1.625 53.228 54.840 0.022 0.000 0.950 341 L CB 0.633 42.717 42.059 0.042 0.000 1.304 341 L HN -0.159 nan 8.230 nan 0.000 0.453 342 P HA -0.144 nan 4.420 nan 0.000 0.212 342 P C 0.517 177.812 177.300 -0.007 0.000 1.178 342 P CA 1.409 64.507 63.100 -0.002 0.000 0.915 342 P CB 0.425 32.114 31.700 -0.019 0.000 0.788 343 A N -1.142 121.662 122.820 -0.026 0.000 3.200 343 A HA 0.359 4.678 4.320 -0.000 0.000 0.208 343 A C -0.211 177.340 177.584 -0.055 0.000 1.360 343 A CA -0.459 51.560 52.037 -0.031 0.000 0.892 343 A CB -0.231 18.751 19.000 -0.030 0.000 1.600 343 A HN -0.038 nan 8.150 nan 0.000 0.501 344 D N -0.214 120.144 120.400 -0.070 0.000 2.304 344 D HA 0.300 4.940 4.640 -0.000 0.000 0.250 344 D C -1.774 174.428 176.300 -0.162 0.000 1.107 344 D CA -1.266 52.658 54.000 -0.126 0.000 0.885 344 D CB 1.252 41.984 40.800 -0.114 0.000 1.192 344 D HN -0.006 nan 8.370 nan 0.000 0.436 345 P HA -0.162 nan 4.420 nan 0.000 0.224 345 P C 0.876 178.079 177.300 -0.162 0.000 1.138 345 P CA 1.126 64.070 63.100 -0.259 0.000 0.780 345 P CB 0.213 31.652 31.700 -0.435 0.000 0.755 346 M N -3.450 116.074 119.600 -0.127 0.000 2.304 346 M HA 0.108 4.588 4.480 -0.000 0.000 0.281 346 M C 1.234 177.519 176.300 -0.024 0.000 1.014 346 M CA 1.018 56.293 55.300 -0.043 0.000 1.054 346 M CB -1.099 31.471 32.600 -0.051 0.000 1.551 346 M HN -0.041 nan 8.290 nan 0.000 0.548 347 T N -2.447 112.081 114.554 -0.044 0.000 3.145 347 T HA 0.262 4.612 4.350 -0.000 0.000 0.255 347 T C 1.187 175.869 174.700 -0.030 0.000 1.039 347 T CA 0.071 62.153 62.100 -0.031 0.000 0.928 347 T CB 0.111 68.959 68.868 -0.033 0.000 1.029 347 T HN 0.018 nan 8.240 nan 0.000 0.554 348 L N -0.584 120.621 121.223 -0.030 0.000 2.500 348 L HA 0.548 4.888 4.340 -0.000 0.000 0.219 348 L C 2.210 179.066 176.870 -0.023 0.000 1.057 348 L CA 0.520 55.340 54.840 -0.032 0.000 0.854 348 L CB -0.739 41.295 42.059 -0.041 0.000 1.078 348 L HN 0.234 nan 8.230 nan 0.000 0.480 349 M N 0.624 120.224 119.600 -0.000 0.000 2.156 349 M HA -0.138 4.341 4.480 -0.000 0.000 0.264 349 M C 2.206 178.488 176.300 -0.030 0.000 1.067 349 M CA 1.487 56.782 55.300 -0.008 0.000 1.131 349 M CB -0.556 32.064 32.600 0.034 0.000 1.368 349 M HN 0.256 nan 8.290 nan 0.000 0.416 350 K N -0.656 119.733 120.400 -0.018 0.000 2.265 350 K HA -0.284 4.035 4.320 -0.000 0.000 0.210 350 K C 0.716 177.301 176.600 -0.025 0.000 1.036 350 K CA 2.374 58.649 56.287 -0.019 0.000 0.934 350 K CB -0.688 31.802 32.500 -0.016 0.000 0.765 350 K HN 0.585 nan 8.250 nan 0.000 0.485 351 T N -4.085 110.450 114.554 -0.032 0.000 3.192 351 T HA 0.520 4.870 4.350 -0.000 0.000 0.295 351 T C -0.003 174.672 174.700 -0.042 0.000 0.947 351 T CA -0.197 61.884 62.100 -0.032 0.000 0.916 351 T CB 0.696 69.549 68.868 -0.025 0.000 1.169 351 T HN 0.342 nan 8.240 nan 0.000 0.540 352 A N 0.887 123.671 122.820 -0.060 0.000 2.304 352 A HA 0.671 4.990 4.320 -0.000 0.000 0.301 352 A C -0.709 176.822 177.584 -0.088 0.000 1.132 352 A CA -0.499 51.490 52.037 -0.080 0.000 0.819 352 A CB 0.598 19.527 19.000 -0.119 0.000 1.094 352 A HN 0.352 nan 8.150 nan 0.000 0.492 353 D N 1.564 121.920 120.400 -0.074 0.000 2.460 353 D HA 0.435 5.074 4.640 -0.000 0.000 0.232 353 D C 0.130 176.386 176.300 -0.073 0.000 1.079 353 D CA -0.128 53.836 54.000 -0.060 0.000 0.864 353 D CB 0.562 41.347 40.800 -0.024 0.000 1.048 353 D HN 0.381 nan 8.370 nan 0.000 0.523 354 L N 3.817 124.964 121.223 -0.126 0.000 2.777 354 L HA 0.138 4.478 4.340 -0.000 0.000 0.244 354 L C 2.221 179.123 176.870 0.053 0.000 1.235 354 L CA -0.089 54.657 54.840 -0.157 0.000 1.062 354 L CB -0.361 41.521 42.059 -0.295 0.000 1.340 354 L HN 0.411 nan 8.230 nan 0.000 0.439 355 K N 0.883 121.319 120.400 0.060 0.000 2.113 355 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 355 K C 0.742 177.411 176.600 0.115 0.000 1.047 355 K CA 1.650 57.980 56.287 0.071 0.000 0.928 355 K CB 0.186 32.712 32.500 0.045 0.000 0.716 355 K HN 0.423 nan 8.250 nan 0.000 0.446 356 D N -0.445 120.067 120.400 0.187 0.000 2.339 356 D HA -0.009 4.631 4.640 -0.000 0.000 0.217 356 D C -0.408 175.982 176.300 0.151 0.000 1.050 356 D CA 0.243 54.328 54.000 0.142 0.000 0.856 356 D CB 0.097 40.948 40.800 0.085 0.000 0.922 356 D HN 0.119 nan 8.370 nan 0.000 0.518 357 Y N 1.331 121.640 120.300 0.016 0.000 2.334 357 Y HA 0.235 4.785 4.550 -0.000 0.000 0.328 357 Y C 0.590 176.528 175.900 0.063 0.000 1.130 357 Y CA -0.715 57.406 58.100 0.034 0.000 1.163 357 Y CB 1.082 39.561 38.460 0.032 0.000 1.207 357 Y HN -0.252 nan 8.280 nan 0.000 0.471 358 D N 3.933 124.455 120.400 0.204 0.000 2.425 358 D HA 0.362 5.002 4.640 -0.000 0.000 0.240 358 D C -1.028 175.537 176.300 0.442 0.000 1.080 358 D CA -0.171 53.984 54.000 0.259 0.000 0.836 358 D CB 2.111 42.964 40.800 0.087 0.000 1.125 358 D HN 0.243 nan 8.370 nan 0.000 0.525 359 I N 2.206 123.005 120.570 0.382 0.000 2.465 359 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 359 I C -0.807 175.319 176.117 0.015 0.000 1.014 359 I CA -0.809 60.642 61.300 0.252 0.000 1.093 359 I CB 1.975 40.062 38.000 0.144 0.000 1.267 359 I HN 0.184 nan 8.210 nan 0.000 0.431 360 L N 8.554 129.572 121.223 -0.342 0.000 2.319 360 L HA 0.815 5.155 4.340 -0.000 0.000 0.281 360 L C -0.711 176.032 176.870 -0.211 0.000 1.005 360 L CA -0.236 54.299 54.840 -0.508 0.000 0.828 360 L CB 0.833 42.134 42.059 -1.263 0.000 1.227 360 L HN 0.662 nan 8.230 nan 0.000 0.415 361 M N 3.199 122.699 119.600 -0.167 0.000 2.622 361 M HA 1.019 5.499 4.480 -0.000 0.000 0.276 361 M C -0.597 175.115 176.300 -0.980 0.000 1.265 361 M CA -0.383 54.720 55.300 -0.327 0.000 0.850 361 M CB 2.093 34.521 32.600 -0.287 0.000 1.720 361 M HN 0.634 nan 8.290 nan 0.000 0.465 362 G N 0.603 108.679 108.800 -1.207 0.000 2.427 362 G HA2 0.520 4.479 3.960 -0.000 0.000 0.306 362 G HA3 0.520 4.479 3.960 -0.000 0.000 0.306 362 G C -2.232 172.291 174.900 -0.628 0.000 1.280 362 G CA -0.689 43.386 45.100 -1.708 0.000 0.837 362 G HN 0.811 nan 8.290 nan 0.000 0.482 363 N N -1.440 117.149 118.700 -0.184 0.000 2.774 363 N HA 0.659 5.399 4.740 -0.000 0.000 0.264 363 N C -0.699 174.929 175.510 0.197 0.000 1.415 363 N CA -0.294 52.846 53.050 0.149 0.000 0.815 363 N CB 2.420 41.081 38.487 0.289 0.000 1.514 363 N HN 0.921 nan 8.380 nan 0.000 0.523 364 V N -1.400 118.572 119.914 0.097 0.000 2.850 364 V HA 0.487 4.607 4.120 -0.000 0.000 0.315 364 V C 1.596 177.592 176.094 -0.163 0.000 1.064 364 V CA -0.705 61.602 62.300 0.012 0.000 0.979 364 V CB 2.110 33.988 31.823 0.093 0.000 1.039 364 V HN 0.743 nan 8.190 nan 0.000 0.452 365 R N 0.129 120.443 120.500 -0.310 0.000 2.105 365 R HA -0.072 4.268 4.340 -0.000 0.000 0.239 365 R C 0.086 176.408 176.300 0.038 0.000 1.135 365 R CA 1.959 57.951 56.100 -0.179 0.000 0.967 365 R CB 0.094 30.294 30.300 -0.167 0.000 0.861 365 R HN 0.938 nan 8.270 nan 0.000 0.442 366 D N 0.341 120.740 120.400 -0.002 0.000 2.613 366 D HA 0.050 4.690 4.640 -0.000 0.000 0.312 366 D C 0.095 176.397 176.300 0.004 0.000 1.202 366 D CA -0.163 53.848 54.000 0.017 0.000 0.825 366 D CB 1.220 41.990 40.800 -0.049 0.000 1.113 366 D HN 0.173 nan 8.370 nan 0.000 0.502 367 E N 0.744 120.984 120.200 0.067 0.000 2.085 367 E HA -0.136 4.213 4.350 -0.000 0.000 0.194 367 E C 2.009 178.646 176.600 0.062 0.000 0.994 367 E CA 0.947 57.361 56.400 0.024 0.000 0.801 367 E CB 0.094 29.819 29.700 0.042 0.000 0.743 367 E HN 0.417 nan 8.360 nan 0.000 0.453 368 G N 1.492 110.397 108.800 0.175 0.000 2.511 368 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 368 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 368 G C 1.744 176.703 174.900 0.099 0.000 1.133 368 G CA 1.399 46.633 45.100 0.224 0.000 0.792 368 G HN 0.375 nan 8.290 nan 0.000 0.539 369 T N -0.431 114.102 114.554 -0.036 0.000 2.597 369 T HA -0.405 3.944 4.350 -0.000 0.000 0.267 369 T C 2.085 176.626 174.700 -0.264 0.000 1.053 369 T CA 1.637 63.614 62.100 -0.205 0.000 1.165 369 T CB -0.806 67.805 68.868 -0.428 0.000 0.863 369 T HN 0.316 nan 8.240 nan 0.000 0.427 370 Y N 2.519 122.519 120.300 -0.500 0.000 2.014 370 Y HA -0.224 4.326 4.550 -0.000 0.000 0.272 370 Y C 2.033 177.656 175.900 -0.461 0.000 1.164 370 Y CA 1.404 59.086 58.100 -0.697 0.000 1.114 370 Y CB -1.124 36.690 38.460 -1.078 0.000 0.961 370 Y HN 0.239 nan 8.280 nan 0.000 0.489 371 F N -0.408 119.192 119.950 -0.583 0.000 2.161 371 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 371 F C 2.293 177.999 175.800 -0.155 0.000 1.089 371 F CA 1.442 59.133 58.000 -0.515 0.000 1.282 371 F CB -1.098 37.720 39.000 -0.303 0.000 1.010 371 F HN 0.235 nan 8.300 nan 0.000 0.485 372 L N -0.111 121.179 121.223 0.112 0.000 2.017 372 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 372 L C 2.256 179.357 176.870 0.384 0.000 1.073 372 L CA 1.385 56.346 54.840 0.202 0.000 0.745 372 L CB -0.940 41.149 42.059 0.050 0.000 0.894 372 L HN 0.156 nan 8.230 nan 0.000 0.432 373 L N -1.204 120.207 121.223 0.314 0.000 2.013 373 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 373 L C 2.287 179.423 176.870 0.443 0.000 1.073 373 L CA 2.013 57.157 54.840 0.508 0.000 0.753 373 L CB -1.024 41.300 42.059 0.441 0.000 0.890 373 L HN 0.326 nan 8.230 nan 0.000 0.432 374 Y N 0.054 120.372 120.300 0.030 0.000 2.242 374 Y HA -0.180 4.369 4.550 -0.000 0.000 0.291 374 Y C 2.227 178.190 175.900 0.105 0.000 1.137 374 Y CA 1.854 59.919 58.100 -0.058 0.000 1.181 374 Y CB -0.462 37.715 38.460 -0.472 0.000 0.989 374 Y HN 0.360 nan 8.280 nan 0.000 0.527 375 D N -1.897 118.723 120.400 0.367 0.000 2.348 375 D HA 0.006 4.645 4.640 -0.000 0.000 0.211 375 D C -0.183 176.092 176.300 -0.043 0.000 0.998 375 D CA 0.788 54.922 54.000 0.224 0.000 0.873 375 D CB 0.041 40.998 40.800 0.261 0.000 0.925 375 D HN 0.177 nan 8.370 nan 0.000 0.524 376 F N -0.010 120.143 119.950 0.338 0.000 2.619 376 F HA 0.333 4.860 4.527 -0.000 0.000 0.382 376 F C 1.067 177.047 175.800 0.300 0.000 1.466 376 F CA -0.765 57.467 58.000 0.387 0.000 1.137 376 F CB -0.091 39.283 39.000 0.623 0.000 1.205 376 F HN -0.156 nan 8.300 nan 0.000 0.525 377 I N 0.132 120.887 120.570 0.308 0.000 2.700 377 I HA -0.245 3.925 4.170 -0.000 0.000 0.261 377 I C 1.594 177.747 176.117 0.061 0.000 1.219 377 I CA 1.524 62.962 61.300 0.229 0.000 1.463 377 I CB 0.118 38.203 38.000 0.142 0.000 1.092 377 I HN 0.194 nan 8.210 nan 0.000 0.452 378 D N 0.111 120.449 120.400 -0.104 0.000 2.117 378 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 378 D C 1.885 178.003 176.300 -0.303 0.000 0.982 378 D CA 1.601 55.442 54.000 -0.266 0.000 0.828 378 D CB -0.328 40.190 40.800 -0.471 0.000 0.967 378 D HN 0.433 nan 8.370 nan 0.000 0.464 379 Y N -0.080 120.065 120.300 -0.259 0.000 2.263 379 Y HA 0.007 4.557 4.550 -0.000 0.000 0.292 379 Y C 1.007 176.510 175.900 -0.662 0.000 1.130 379 Y CA 0.388 58.136 58.100 -0.587 0.000 1.179 379 Y CB -0.291 37.512 38.460 -1.095 0.000 0.998 379 Y HN -0.162 nan 8.280 nan 0.000 0.532 380 F N -0.392 119.699 119.950 0.236 0.000 2.557 380 F HA 0.409 4.936 4.527 -0.000 0.000 0.336 380 F C -0.084 175.806 175.800 0.150 0.000 1.058 380 F CA -2.028 56.032 58.000 0.101 0.000 0.988 380 F CB 0.755 39.800 39.000 0.075 0.000 1.275 380 F HN -0.253 nan 8.300 nan 0.000 0.488 381 D N 0.437 121.038 120.400 0.334 0.000 2.619 381 D HA 0.144 4.784 4.640 -0.000 0.000 0.241 381 D C 0.311 176.954 176.300 0.571 0.000 1.087 381 D CA -0.399 53.820 54.000 0.365 0.000 0.851 381 D CB 2.358 43.287 40.800 0.215 0.000 1.474 381 D HN 0.663 nan 8.370 nan 0.000 0.478 382 K N 2.407 123.185 120.400 0.630 0.000 2.147 382 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 382 K C 0.311 177.256 176.600 0.575 0.000 1.049 382 K CA 1.607 58.283 56.287 0.647 0.000 0.936 382 K CB 0.272 33.038 32.500 0.443 0.000 0.722 382 K HN 0.300 nan 8.250 nan 0.000 0.446 383 D N 0.027 120.682 120.400 0.425 0.000 2.394 383 D HA 0.040 4.680 4.640 -0.000 0.000 0.226 383 D C -0.288 176.197 176.300 0.308 0.000 0.990 383 D CA 0.522 54.709 54.000 0.312 0.000 0.902 383 D CB 0.439 41.343 40.800 0.173 0.000 1.038 383 D HN 0.145 nan 8.370 nan 0.000 0.499 384 D N 0.012 120.549 120.400 0.228 0.000 2.299 384 D HA 0.548 5.187 4.640 -0.000 0.000 0.243 384 D C -0.259 175.946 176.300 -0.160 0.000 0.982 384 D CA -0.592 53.457 54.000 0.082 0.000 0.924 384 D CB 1.821 42.647 40.800 0.043 0.000 1.238 384 D HN 0.003 nan 8.370 nan 0.000 0.484 385 A N 0.545 123.177 122.820 -0.313 0.000 2.322 385 A HA 0.556 4.876 4.320 -0.000 0.000 0.269 385 A C 0.312 177.681 177.584 -0.359 0.000 1.094 385 A CA -0.316 51.346 52.037 -0.625 0.000 0.807 385 A CB 0.345 18.875 19.000 -0.783 0.000 1.047 385 A HN 0.532 nan 8.150 nan 0.000 0.487 386 T N -1.041 113.380 114.554 -0.221 0.000 2.841 386 T HA 0.654 5.003 4.350 -0.000 0.000 0.283 386 T C -0.225 174.632 174.700 0.263 0.000 1.000 386 T CA -0.001 62.150 62.100 0.084 0.000 0.977 386 T CB 1.405 70.332 68.868 0.099 0.000 0.979 386 T HN 1.503 nan 8.240 nan 0.000 0.446 387 A N 3.848 126.842 122.820 0.290 0.000 2.410 387 A HA 0.535 4.855 4.320 -0.000 0.000 0.292 387 A C -0.040 177.612 177.584 0.114 0.000 1.232 387 A CA -0.556 51.580 52.037 0.166 0.000 0.893 387 A CB -0.629 18.373 19.000 0.004 0.000 1.131 387 A HN 0.862 nan 8.150 nan 0.000 0.530 388 L N 5.996 127.295 121.223 0.127 0.000 2.265 388 L HA 0.480 4.820 4.340 -0.000 0.000 0.288 388 L C -2.242 174.669 176.870 0.069 0.000 1.058 388 L CA -1.696 53.212 54.840 0.113 0.000 0.809 388 L CB 1.068 43.236 42.059 0.181 0.000 1.179 388 L HN 0.371 nan 8.230 nan 0.000 0.429 389 P HA 0.156 nan 4.420 nan 0.000 0.272 389 P C 0.205 177.542 177.300 0.063 0.000 1.240 389 P CA -0.435 62.690 63.100 0.043 0.000 0.791 389 P CB 0.543 32.270 31.700 0.044 0.000 0.978 390 R N 2.085 122.613 120.500 0.046 0.000 2.096 390 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 390 R C 1.385 177.759 176.300 0.124 0.000 1.127 390 R CA 2.074 58.216 56.100 0.071 0.000 0.968 390 R CB -1.134 29.188 30.300 0.035 0.000 0.861 390 R HN 0.624 nan 8.270 nan 0.000 0.440 391 D N -0.030 120.421 120.400 0.085 0.000 2.144 391 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 391 D C 1.437 177.775 176.300 0.064 0.000 0.978 391 D CA 0.966 55.012 54.000 0.077 0.000 0.833 391 D CB -0.222 40.614 40.800 0.062 0.000 0.961 391 D HN 0.036 nan 8.370 nan 0.000 0.470 392 K N 0.077 120.508 120.400 0.053 0.000 2.025 392 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 392 K C 2.248 178.821 176.600 -0.046 0.000 1.049 392 K CA 0.879 57.153 56.287 -0.022 0.000 0.933 392 K CB -0.955 31.527 32.500 -0.030 0.000 0.714 392 K HN 0.336 nan 8.250 nan 0.000 0.438 393 Y N 2.002 122.267 120.300 -0.059 0.000 2.114 393 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 393 Y C 2.060 177.946 175.900 -0.023 0.000 1.165 393 Y CA 1.560 59.636 58.100 -0.041 0.000 1.148 393 Y CB -0.477 37.968 38.460 -0.026 0.000 0.972 393 Y HN -0.068 nan 8.280 nan 0.000 0.504 394 L N 0.172 121.373 121.223 -0.036 0.000 2.056 394 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 394 L C 2.649 179.466 176.870 -0.088 0.000 1.078 394 L CA 1.795 56.580 54.840 -0.092 0.000 0.749 394 L CB -0.682 41.419 42.059 0.069 0.000 0.901 394 L HN 0.329 nan 8.230 nan 0.000 0.433 395 E N 0.797 120.970 120.200 -0.044 0.000 2.038 395 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 395 E C 2.307 178.897 176.600 -0.016 0.000 1.000 395 E CA 1.575 57.971 56.400 -0.006 0.000 0.803 395 E CB -0.039 29.668 29.700 0.011 0.000 0.750 395 E HN 0.457 nan 8.360 nan 0.000 0.448 396 I N 0.371 120.859 120.570 -0.137 0.000 2.163 396 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 396 I C 2.607 178.647 176.117 -0.129 0.000 1.081 396 I CA 0.678 61.877 61.300 -0.169 0.000 1.353 396 I CB -0.233 37.518 38.000 -0.413 0.000 1.054 396 I HN 0.252 nan 8.210 nan 0.000 0.407 397 M N 0.409 119.880 119.600 -0.214 0.000 2.073 397 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 397 M C 2.022 178.398 176.300 0.127 0.000 1.070 397 M CA 1.800 57.055 55.300 -0.076 0.000 1.103 397 M CB -1.682 30.717 32.600 -0.334 0.000 1.321 397 M HN 0.288 nan 8.290 nan 0.000 0.405 398 N N 0.567 119.298 118.700 0.053 0.000 2.348 398 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 398 N C 1.426 177.016 175.510 0.135 0.000 1.019 398 N CA 1.090 54.203 53.050 0.105 0.000 0.880 398 N CB -0.564 37.963 38.487 0.067 0.000 0.965 398 N HN 0.593 nan 8.380 nan 0.000 0.437 399 N N 0.945 119.731 118.700 0.143 0.000 2.124 399 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 399 N C 1.877 177.477 175.510 0.150 0.000 1.045 399 N CA 0.483 53.642 53.050 0.182 0.000 0.846 399 N CB 0.058 38.745 38.487 0.333 0.000 1.020 399 N HN -0.004 nan 8.380 nan 0.000 0.432 400 I N 0.020 120.662 120.570 0.121 0.000 2.145 400 I HA -0.279 3.891 4.170 -0.000 0.000 0.244 400 I C 0.736 176.660 176.117 -0.322 0.000 1.075 400 I CA 1.471 62.701 61.300 -0.118 0.000 1.332 400 I CB -0.271 37.525 38.000 -0.340 0.000 1.033 400 I HN 0.224 nan 8.210 nan 0.000 0.410 401 F N 0.183 120.193 119.950 0.100 0.000 2.647 401 F HA 0.310 4.836 4.527 -0.000 0.000 0.300 401 F C 1.983 177.813 175.800 0.049 0.000 1.106 401 F CA -0.117 57.922 58.000 0.065 0.000 1.313 401 F CB -0.507 38.518 39.000 0.042 0.000 1.007 401 F HN -0.119 nan 8.300 nan 0.000 0.536 402 G N 0.899 109.795 108.800 0.161 0.000 2.501 402 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 402 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 402 G C 1.977 176.926 174.900 0.082 0.000 1.114 402 G CA 0.778 45.946 45.100 0.112 0.000 0.757 402 G HN 0.260 nan 8.290 nan 0.000 0.559 403 K N 0.970 121.417 120.400 0.079 0.000 2.366 403 K HA 0.294 4.614 4.320 -0.000 0.000 0.198 403 K C 0.956 177.590 176.600 0.057 0.000 1.044 403 K CA 0.724 57.042 56.287 0.052 0.000 0.973 403 K CB -0.379 32.146 32.500 0.042 0.000 0.767 403 K HN 0.176 nan 8.250 nan 0.000 0.475 404 A N 1.998 124.874 122.820 0.093 0.000 2.286 404 A HA 0.393 4.712 4.320 -0.000 0.000 0.286 404 A C 0.233 177.845 177.584 0.047 0.000 1.097 404 A CA -0.011 52.072 52.037 0.075 0.000 0.821 404 A CB 0.114 19.183 19.000 0.116 0.000 1.076 404 A HN 0.513 nan 8.150 nan 0.000 0.490 405 T N -0.926 113.637 114.554 0.014 0.000 2.716 405 T HA -0.013 4.337 4.350 -0.000 0.000 0.335 405 T C 0.913 175.623 174.700 0.017 0.000 1.081 405 T CA 0.967 63.065 62.100 -0.003 0.000 1.073 405 T CB 0.308 69.159 68.868 -0.028 0.000 0.993 405 T HN 0.731 nan 8.240 nan 0.000 0.547 406 Q N 0.472 120.280 119.800 0.015 0.000 2.187 406 Q HA 0.004 4.344 4.340 -0.000 0.000 0.199 406 Q C 2.469 178.485 176.000 0.026 0.000 0.957 406 Q CA 0.975 56.794 55.803 0.028 0.000 0.857 406 Q CB -0.639 28.115 28.738 0.027 0.000 0.929 406 Q HN 0.915 nan 8.270 nan 0.000 0.453 407 A N 1.878 124.706 122.820 0.013 0.000 1.883 407 A HA -0.270 4.049 4.320 -0.000 0.000 0.217 407 A C 1.854 179.442 177.584 0.007 0.000 1.186 407 A CA 1.899 53.942 52.037 0.010 0.000 0.624 407 A CB -0.662 18.338 19.000 0.001 0.000 0.822 407 A HN 0.700 nan 8.150 nan 0.000 0.444 408 E N -0.690 119.502 120.200 -0.012 0.000 2.112 408 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 408 E C 2.179 178.776 176.600 -0.005 0.000 0.979 408 E CA 0.773 57.155 56.400 -0.031 0.000 0.814 408 E CB -0.423 29.239 29.700 -0.063 0.000 0.762 408 E HN 0.589 nan 8.360 nan 0.000 0.460 409 R N 1.216 121.727 120.500 0.018 0.000 2.139 409 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 409 R C 1.877 178.199 176.300 0.036 0.000 1.145 409 R CA 1.886 58.004 56.100 0.030 0.000 0.976 409 R CB 0.049 30.389 30.300 0.067 0.000 0.866 409 R HN 0.319 nan 8.270 nan 0.000 0.449 410 E N -0.644 119.592 120.200 0.060 0.000 2.086 410 E HA -0.065 4.284 4.350 -0.000 0.000 0.190 410 E C 1.955 178.645 176.600 0.150 0.000 0.975 410 E CA 0.749 57.207 56.400 0.097 0.000 0.813 410 E CB -0.034 29.712 29.700 0.077 0.000 0.768 410 E HN 0.388 nan 8.360 nan 0.000 0.457 411 A N 1.409 124.319 122.820 0.149 0.000 1.940 411 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 411 A C 2.164 179.944 177.584 0.327 0.000 1.176 411 A CA 1.150 53.349 52.037 0.270 0.000 0.631 411 A CB -0.615 18.546 19.000 0.269 0.000 0.814 411 A HN 0.129 nan 8.150 nan 0.000 0.446 412 I N -0.404 120.281 120.570 0.192 0.000 2.163 412 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 412 I C 2.312 178.487 176.117 0.096 0.000 1.081 412 I CA 1.268 62.624 61.300 0.094 0.000 1.353 412 I CB -0.402 37.424 38.000 -0.289 0.000 1.054 412 I HN 0.276 nan 8.210 nan 0.000 0.407 413 I N 0.271 120.893 120.570 0.087 0.000 2.194 413 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 413 I C 2.583 178.840 176.117 0.233 0.000 1.093 413 I CA 1.758 63.163 61.300 0.175 0.000 1.355 413 I CB -0.414 37.684 38.000 0.162 0.000 1.046 413 I HN 0.191 nan 8.210 nan 0.000 0.413 414 F N 1.757 121.752 119.950 0.075 0.000 2.113 414 F HA -0.280 4.246 4.527 -0.000 0.000 0.297 414 F C 2.690 178.455 175.800 -0.058 0.000 1.103 414 F CA 2.038 60.068 58.000 0.049 0.000 1.248 414 F CB -0.478 38.573 39.000 0.085 0.000 0.999 414 F HN 0.008 nan 8.300 nan 0.000 0.475 415 Q N -0.742 118.975 119.800 -0.138 0.000 2.297 415 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 415 Q C 0.479 176.049 176.000 -0.716 0.000 0.981 415 Q CA 1.741 57.201 55.803 -0.572 0.000 0.876 415 Q CB -0.532 27.484 28.738 -1.202 0.000 0.921 415 Q HN 0.607 nan 8.270 nan 0.000 0.446 416 Y N -0.038 120.087 120.300 -0.291 0.000 2.751 416 Y HA 0.265 4.814 4.550 -0.000 0.000 0.289 416 Y C -0.204 175.546 175.900 -0.250 0.000 1.110 416 Y CA -0.238 57.756 58.100 -0.176 0.000 1.251 416 Y CB 0.418 38.886 38.460 0.013 0.000 1.178 416 Y HN -0.004 nan 8.280 nan 0.000 0.540 417 T N -1.715 112.554 114.554 -0.476 0.000 2.907 417 T HA 0.631 4.981 4.350 -0.000 0.000 0.284 417 T C 0.164 174.223 174.700 -1.069 0.000 1.004 417 T CA -0.814 60.785 62.100 -0.836 0.000 1.063 417 T CB 1.860 70.140 68.868 -0.980 0.000 0.992 417 T HN 0.158 nan 8.240 nan 0.000 0.483 418 S N 1.697 116.829 115.700 -0.946 0.000 2.503 418 S HA 0.557 5.027 4.470 -0.000 0.000 0.301 418 S C -0.103 174.065 174.600 -0.720 0.000 1.087 418 S CA -1.005 56.783 58.200 -0.687 0.000 1.042 418 S CB 1.291 64.286 63.200 -0.342 0.000 1.043 418 S HN 0.881 nan 8.310 nan 0.000 0.489 419 W N 0.151 121.372 121.300 -0.131 0.000 3.298 419 W HA 0.244 4.904 4.660 -0.000 0.000 0.239 419 W C -0.033 176.444 176.519 -0.071 0.000 1.082 419 W CA -0.169 57.117 57.345 -0.099 0.000 1.711 419 W CB -0.464 28.938 29.460 -0.096 0.000 0.944 419 W HN 0.592 nan 8.180 nan 0.000 0.712 420 E N 1.548 121.857 120.200 0.181 0.000 2.491 420 E HA 0.290 4.640 4.350 -0.000 0.000 0.250 420 E C 0.904 177.530 176.600 0.044 0.000 1.061 420 E CA 1.339 57.795 56.400 0.093 0.000 0.942 420 E CB -0.021 29.723 29.700 0.073 0.000 0.957 420 E HN 0.311 nan 8.360 nan 0.000 0.480 421 G N 4.683 113.505 108.800 0.036 0.000 2.503 421 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.235 421 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.235 421 G C -0.123 174.775 174.900 -0.003 0.000 1.179 421 G CA -0.398 44.711 45.100 0.015 0.000 0.944 421 G HN 0.511 nan 8.290 nan 0.000 0.580 422 N N 1.254 119.939 118.700 -0.024 0.000 2.518 422 N HA 0.632 5.372 4.740 -0.000 0.000 0.284 422 N C -1.575 173.893 175.510 -0.071 0.000 1.230 422 N CA -0.949 52.069 53.050 -0.054 0.000 0.941 422 N CB 1.299 39.733 38.487 -0.088 0.000 1.219 422 N HN 0.198 nan 8.380 nan 0.000 0.560 423 P HA 0.010 nan 4.420 nan 0.000 0.203 423 P C 0.146 177.413 177.300 -0.055 0.000 1.211 423 P CA 0.928 63.971 63.100 -0.095 0.000 0.913 423 P CB -0.459 31.190 31.700 -0.085 0.000 0.745 424 G N -0.749 108.007 108.800 -0.073 0.000 2.279 424 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.285 424 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.285 424 G C -0.385 174.483 174.900 -0.054 0.000 0.910 424 G CA 0.372 45.433 45.100 -0.065 0.000 1.477 424 G HN 0.256 nan 8.290 nan 0.000 0.385 425 Y N -0.317 119.984 120.300 0.001 0.000 2.693 425 Y HA -0.184 4.366 4.550 -0.000 0.000 0.452 425 Y C 1.971 177.882 175.900 0.018 0.000 1.529 425 Y CA 0.571 58.677 58.100 0.010 0.000 1.876 425 Y CB -1.672 36.801 38.460 0.022 0.000 1.042 425 Y HN 0.524 nan 8.280 nan 0.000 0.454 426 Q N 1.204 121.098 119.800 0.158 0.000 2.137 426 Q HA 0.060 4.400 4.340 -0.000 0.000 0.198 426 Q C 1.714 177.728 176.000 0.024 0.000 0.960 426 Q CA 1.829 57.672 55.803 0.067 0.000 0.847 426 Q CB -0.251 28.484 28.738 -0.005 0.000 0.915 426 Q HN 0.448 nan 8.270 nan 0.000 0.448 427 N N 0.038 118.734 118.700 -0.006 0.000 2.104 427 N HA -0.201 4.538 4.740 -0.000 0.000 0.190 427 N C 1.528 177.123 175.510 0.143 0.000 1.024 427 N CA 1.252 54.291 53.050 -0.018 0.000 0.853 427 N CB -0.148 38.331 38.487 -0.014 0.000 1.008 427 N HN 0.427 nan 8.380 nan 0.000 0.424 428 Q N 0.494 120.371 119.800 0.128 0.000 2.050 428 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 428 Q C 1.677 177.731 176.000 0.090 0.000 0.980 428 Q CA 1.316 57.157 55.803 0.064 0.000 0.840 428 Q CB 0.069 28.781 28.738 -0.043 0.000 0.898 428 Q HN 0.112 nan 8.270 nan 0.000 0.424 429 Q N 0.046 119.926 119.800 0.133 0.000 2.096 429 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 429 Q C 2.035 178.137 176.000 0.170 0.000 0.982 429 Q CA 1.498 57.398 55.803 0.162 0.000 0.850 429 Q CB -0.091 28.735 28.738 0.146 0.000 0.901 429 Q HN 0.396 nan 8.270 nan 0.000 0.422 430 Q N -0.450 119.453 119.800 0.170 0.000 2.119 430 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 430 Q C 2.157 178.322 176.000 0.275 0.000 0.972 430 Q CA 0.985 56.941 55.803 0.255 0.000 0.847 430 Q CB -0.084 28.769 28.738 0.191 0.000 0.903 430 Q HN 0.476 nan 8.270 nan 0.000 0.433 431 I N -0.136 120.568 120.570 0.223 0.000 2.439 431 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 431 I C 2.217 178.390 176.117 0.094 0.000 1.139 431 I CA 0.938 62.315 61.300 0.129 0.000 1.438 431 I CB -0.498 37.538 38.000 0.059 0.000 1.085 431 I HN 0.179 nan 8.210 nan 0.000 0.427 432 G N 0.896 109.763 108.800 0.112 0.000 2.404 432 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.215 432 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.215 432 G C 1.806 176.807 174.900 0.169 0.000 1.174 432 G CA 0.324 45.497 45.100 0.122 0.000 0.780 432 G HN 0.268 nan 8.290 nan 0.000 0.537 433 R N 0.539 121.165 120.500 0.211 0.000 2.083 433 R HA -0.004 4.336 4.340 -0.000 0.000 0.237 433 R C 3.019 179.482 176.300 0.271 0.000 1.137 433 R CA 1.235 57.516 56.100 0.301 0.000 0.951 433 R CB -0.427 30.134 30.300 0.434 0.000 0.851 433 R HN 0.340 nan 8.270 nan 0.000 0.434 434 A N 0.626 123.423 122.820 -0.039 0.000 1.978 434 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 434 A C 2.334 180.069 177.584 0.252 0.000 1.170 434 A CA 1.409 53.282 52.037 -0.274 0.000 0.636 434 A CB -0.457 18.139 19.000 -0.673 0.000 0.810 434 A HN 0.122 nan 8.150 nan 0.000 0.448 435 V N -0.294 119.794 119.914 0.290 0.000 2.244 435 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 435 V C 2.872 179.247 176.094 0.469 0.000 1.042 435 V CA 2.043 64.593 62.300 0.416 0.000 1.006 435 V CB -1.509 30.468 31.823 0.257 0.000 0.641 435 V HN 0.576 nan 8.190 nan 0.000 0.446 436 G N -0.403 108.625 108.800 0.380 0.000 2.440 436 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 436 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 436 G C 1.229 176.349 174.900 0.367 0.000 1.154 436 G CA 1.141 46.510 45.100 0.448 0.000 0.767 436 G HN 0.503 nan 8.290 nan 0.000 0.552 437 D N -0.277 120.284 120.400 0.269 0.000 2.092 437 D HA -0.114 4.526 4.640 -0.000 0.000 0.193 437 D C 2.096 178.235 176.300 -0.269 0.000 0.994 437 D CA 1.453 55.548 54.000 0.158 0.000 0.828 437 D CB -0.454 40.605 40.800 0.432 0.000 0.963 437 D HN 0.446 nan 8.370 nan 0.000 0.450 438 H N -0.559 118.095 119.070 -0.692 0.000 2.326 438 H HA -0.039 4.517 4.556 -0.000 0.000 0.301 438 H C 1.701 176.612 175.328 -0.696 0.000 1.081 438 H CA 1.491 56.806 56.048 -1.221 0.000 1.334 438 H CB -0.517 28.413 29.762 -1.387 0.000 1.385 438 H HN 0.087 nan 8.280 nan 0.000 0.504 439 F N -1.569 118.115 119.950 -0.444 0.000 2.615 439 F HA 0.126 4.652 4.527 -0.000 0.000 0.297 439 F C 0.983 176.480 175.800 -0.506 0.000 1.124 439 F CA 0.328 58.000 58.000 -0.546 0.000 1.451 439 F CB 0.177 38.841 39.000 -0.560 0.000 1.103 439 F HN 0.135 nan 8.300 nan 0.000 0.569 440 F N -2.028 118.046 119.950 0.206 0.000 1.941 440 F HA 0.055 4.581 4.527 -0.000 0.000 0.230 440 F C 2.246 178.150 175.800 0.173 0.000 1.181 440 F CA 0.477 58.637 58.000 0.266 0.000 1.294 440 F CB -0.959 38.230 39.000 0.316 0.000 1.748 440 F HN -0.469 nan 8.300 nan 0.000 0.419 441 T N 0.562 115.361 114.554 0.408 0.000 2.597 441 T HA -0.262 4.087 4.350 -0.000 0.000 0.267 441 T C 1.962 176.795 174.700 0.222 0.000 1.053 441 T CA 2.149 64.432 62.100 0.305 0.000 1.165 441 T CB -0.972 68.082 68.868 0.310 0.000 0.863 441 T HN 0.345 nan 8.240 nan 0.000 0.427 442 c N 1.461 120.154 118.600 0.154 0.000 2.429 442 c HA -0.003 4.567 4.570 -0.000 0.000 0.277 442 c C 0.059 174.216 174.090 0.110 0.000 1.262 442 c CA 0.489 56.901 56.329 0.139 0.000 1.733 442 c CB -1.636 40.945 42.510 0.119 0.000 2.010 442 c HN 0.479 nan 8.230 nan 0.000 0.483 443 P HA -0.125 nan 4.420 nan 0.000 0.215 443 P C 1.804 179.152 177.300 0.079 0.000 1.153 443 P CA 2.763 65.863 63.100 0.000 0.000 0.853 443 P CB -0.353 31.279 31.700 -0.113 0.000 0.788 444 T N -3.658 110.976 114.554 0.132 0.000 2.904 444 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 444 T C 1.813 176.654 174.700 0.236 0.000 1.059 444 T CA 1.409 63.609 62.100 0.166 0.000 1.137 444 T CB -1.182 67.763 68.868 0.128 0.000 0.879 444 T HN -0.031 nan 8.240 nan 0.000 0.467 445 N N 1.299 120.147 118.700 0.248 0.000 2.106 445 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 445 N C 1.978 177.623 175.510 0.226 0.000 1.029 445 N CA 1.663 54.847 53.050 0.222 0.000 0.848 445 N CB -0.312 38.263 38.487 0.147 0.000 1.007 445 N HN 0.637 nan 8.380 nan 0.000 0.423 446 E N -1.257 119.064 120.200 0.202 0.000 2.085 446 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 446 E C 1.509 178.244 176.600 0.225 0.000 0.994 446 E CA 1.071 57.586 56.400 0.192 0.000 0.801 446 E CB -0.215 29.575 29.700 0.149 0.000 0.743 446 E HN 0.509 nan 8.360 nan 0.000 0.453 447 Y N 0.371 120.713 120.300 0.070 0.000 2.293 447 Y HA -0.057 4.493 4.550 -0.000 0.000 0.291 447 Y C 1.940 177.892 175.900 0.087 0.000 1.137 447 Y CA 1.021 59.149 58.100 0.046 0.000 1.202 447 Y CB -0.466 37.999 38.460 0.007 0.000 0.990 447 Y HN 0.131 nan 8.280 nan 0.000 0.537 448 A N -0.067 122.848 122.820 0.157 0.000 1.877 448 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 448 A C 2.147 179.904 177.584 0.288 0.000 1.186 448 A CA 1.930 54.037 52.037 0.116 0.000 0.620 448 A CB -0.704 18.267 19.000 -0.049 0.000 0.822 448 A HN 0.585 nan 8.150 nan 0.000 0.443 449 Q N -0.690 119.348 119.800 0.397 0.000 2.050 449 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 449 Q C 2.467 178.526 176.000 0.099 0.000 0.980 449 Q CA 1.439 57.415 55.803 0.289 0.000 0.840 449 Q CB -0.414 28.447 28.738 0.206 0.000 0.898 449 Q HN 0.680 nan 8.270 nan 0.000 0.424 450 A N 0.721 123.566 122.820 0.042 0.000 1.908 450 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 450 A C 2.002 179.505 177.584 -0.135 0.000 1.181 450 A CA 1.186 53.199 52.037 -0.040 0.000 0.627 450 A CB -0.553 18.433 19.000 -0.023 0.000 0.818 450 A HN 0.235 nan 8.150 nan 0.000 0.445 451 L N -0.398 120.675 121.223 -0.250 0.000 2.017 451 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 451 L C 3.011 179.822 176.870 -0.098 0.000 1.073 451 L CA 1.974 56.656 54.840 -0.263 0.000 0.745 451 L CB -1.362 40.505 42.059 -0.321 0.000 0.894 451 L HN 0.419 nan 8.230 nan 0.000 0.432 452 A N -1.015 121.800 122.820 -0.007 0.000 1.908 452 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 452 A C 2.141 179.719 177.584 -0.011 0.000 1.181 452 A CA 1.549 53.601 52.037 0.025 0.000 0.627 452 A CB -0.436 18.614 19.000 0.083 0.000 0.818 452 A HN 0.453 nan 8.150 nan 0.000 0.445 453 E N -0.211 119.977 120.200 -0.020 0.000 2.153 453 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 453 E C 1.658 178.236 176.600 -0.037 0.000 0.988 453 E CA 0.679 57.063 56.400 -0.027 0.000 0.811 453 E CB -0.263 29.424 29.700 -0.023 0.000 0.746 453 E HN 0.394 nan 8.360 nan 0.000 0.466 454 R N -0.358 120.108 120.500 -0.058 0.000 2.319 454 R HA 0.051 4.391 4.340 -0.000 0.000 0.204 454 R C 1.238 177.503 176.300 -0.059 0.000 0.954 454 R CA 0.663 56.721 56.100 -0.070 0.000 1.066 454 R CB 0.105 30.339 30.300 -0.111 0.000 0.991 454 R HN 0.336 nan 8.270 nan 0.000 0.486 455 G N -0.269 108.509 108.800 -0.036 0.000 2.194 455 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.236 455 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.236 455 G C 0.358 175.263 174.900 0.009 0.000 0.987 455 G CA 0.056 45.149 45.100 -0.013 0.000 0.635 455 G HN 0.576 nan 8.290 nan 0.000 0.520 456 A N 0.193 123.014 122.820 0.001 0.000 2.386 456 A HA 0.695 5.015 4.320 -0.000 0.000 0.248 456 A C 0.953 178.578 177.584 0.069 0.000 1.082 456 A CA 1.079 53.149 52.037 0.055 0.000 0.789 456 A CB 0.707 19.731 19.000 0.040 0.000 1.025 456 A HN 1.602 nan 8.150 nan 0.000 0.490 457 S N 1.320 117.085 115.700 0.108 0.000 2.409 457 S HA 0.433 4.903 4.470 -0.000 0.000 0.308 457 S C -0.483 174.192 174.600 0.125 0.000 1.080 457 S CA -0.539 57.721 58.200 0.101 0.000 1.081 457 S CB -0.764 62.519 63.200 0.139 0.000 1.009 457 S HN 0.590 nan 8.310 nan 0.000 0.502 458 V N 6.148 126.091 119.914 0.048 0.000 2.427 458 V HA 0.441 4.561 4.120 -0.000 0.000 0.286 458 V C -0.596 175.449 176.094 -0.082 0.000 1.034 458 V CA -0.691 61.649 62.300 0.066 0.000 0.893 458 V CB 1.251 33.162 31.823 0.146 0.000 0.982 458 V HN 0.856 nan 8.190 nan 0.000 0.452 459 H N 3.225 122.329 119.070 0.057 0.000 2.609 459 H HA 0.536 5.092 4.556 -0.000 0.000 0.344 459 H C -1.344 174.113 175.328 0.214 0.000 1.040 459 H CA -0.284 55.783 56.048 0.032 0.000 1.216 459 H CB 1.471 30.964 29.762 -0.447 0.000 1.529 459 H HN 0.640 nan 8.280 nan 0.000 0.519 460 Y N 3.572 124.133 120.300 0.435 0.000 2.446 460 Y HA 0.385 4.935 4.550 -0.000 0.000 0.338 460 Y C -1.152 175.135 175.900 0.645 0.000 1.055 460 Y CA -0.910 57.353 58.100 0.273 0.000 1.101 460 Y CB 0.910 39.304 38.460 -0.110 0.000 1.221 460 Y HN 0.637 nan 8.280 nan 0.000 0.460 461 Y N 2.235 122.896 120.300 0.600 0.000 2.581 461 Y HA 0.658 5.208 4.550 -0.000 0.000 0.345 461 Y C -2.410 173.840 175.900 0.583 0.000 1.036 461 Y CA -2.149 56.288 58.100 0.562 0.000 1.042 461 Y CB 1.084 39.900 38.460 0.594 0.000 1.289 461 Y HN 0.526 nan 8.280 nan 0.000 0.471 462 Y N 3.133 123.814 120.300 0.635 0.000 2.329 462 Y HA 0.502 5.052 4.550 -0.000 0.000 0.328 462 Y C -1.966 174.272 175.900 0.564 0.000 0.992 462 Y CA -2.413 55.983 58.100 0.493 0.000 1.151 462 Y CB 1.269 39.935 38.460 0.344 0.000 1.150 462 Y HN 0.733 nan 8.280 nan 0.000 0.450 463 F N 5.970 125.985 119.950 0.107 0.000 2.371 463 F HA 0.359 4.886 4.527 -0.000 0.000 0.363 463 F C 0.672 176.332 175.800 -0.233 0.000 1.122 463 F CA -0.294 57.710 58.000 0.007 0.000 1.129 463 F CB 0.952 39.940 39.000 -0.020 0.000 1.173 463 F HN 0.556 nan 8.300 nan 0.000 0.489 464 T N 1.273 115.491 114.554 -0.561 0.000 3.182 464 T HA 0.138 4.488 4.350 -0.000 0.000 0.277 464 T C 0.041 174.419 174.700 -0.538 0.000 1.013 464 T CA -0.150 61.660 62.100 -0.483 0.000 0.900 464 T CB -0.695 68.061 68.868 -0.186 0.000 1.098 464 T HN 0.620 nan 8.240 nan 0.000 0.543 465 H N 1.715 120.124 119.070 -1.101 0.000 2.519 465 H HA 0.433 4.989 4.556 -0.000 0.000 0.316 465 H C -0.442 174.576 175.328 -0.516 0.000 1.065 465 H CA -0.643 54.960 56.048 -0.743 0.000 1.264 465 H CB 1.110 30.452 29.762 -0.700 0.000 1.413 465 H HN 0.207 nan 8.280 nan 0.000 0.465 466 R N 4.497 124.533 120.500 -0.774 0.000 2.248 466 R HA 0.115 4.455 4.340 -0.000 0.000 0.328 466 R C -0.551 175.490 176.300 -0.431 0.000 1.067 466 R CA -0.387 55.459 56.100 -0.423 0.000 0.924 466 R CB 0.354 30.489 30.300 -0.274 0.000 1.013 466 R HN 0.593 nan 8.270 nan 0.000 0.454 467 T N 2.816 117.399 114.554 0.048 0.000 2.908 467 T HA -0.089 4.260 4.350 -0.000 0.000 0.301 467 T C 1.665 176.458 174.700 0.154 0.000 1.019 467 T CA 0.546 62.840 62.100 0.325 0.000 1.152 467 T CB 0.976 70.122 68.868 0.464 0.000 0.966 467 T HN 0.800 nan 8.240 nan 0.000 0.540 468 S N 2.281 118.100 115.700 0.198 0.000 2.423 468 S HA -0.190 4.280 4.470 -0.000 0.000 0.238 468 S C 1.862 176.490 174.600 0.046 0.000 1.028 468 S CA 1.618 59.877 58.200 0.099 0.000 1.000 468 S CB -0.755 62.519 63.200 0.124 0.000 0.797 468 S HN 0.889 nan 8.310 nan 0.000 0.487 469 T N -1.413 113.161 114.554 0.034 0.000 3.105 469 T HA 0.304 4.654 4.350 -0.000 0.000 0.253 469 T C 0.545 175.256 174.700 0.017 0.000 1.047 469 T CA 0.143 62.232 62.100 -0.018 0.000 0.944 469 T CB -0.200 68.599 68.868 -0.115 0.000 1.016 469 T HN 0.292 nan 8.240 nan 0.000 0.544 470 S N 1.122 116.863 115.700 0.068 0.000 2.626 470 S HA 0.124 4.593 4.470 -0.000 0.000 0.303 470 S C 0.835 175.491 174.600 0.093 0.000 1.256 470 S CA -0.386 57.885 58.200 0.118 0.000 1.069 470 S CB -0.251 63.032 63.200 0.138 0.000 0.807 470 S HN 0.548 nan 8.310 nan 0.000 0.500 471 L N 4.640 125.909 121.223 0.077 0.000 2.653 471 L HA 0.269 4.609 4.340 -0.000 0.000 0.232 471 L C -0.219 176.632 176.870 -0.032 0.000 1.169 471 L CA -0.342 54.508 54.840 0.018 0.000 0.951 471 L CB -0.031 42.069 42.059 0.069 0.000 1.181 471 L HN 0.650 nan 8.230 nan 0.000 0.460 472 W N -0.507 120.834 121.300 0.069 0.000 2.578 472 W HA 0.556 5.216 4.660 -0.000 0.000 0.364 472 W C 0.989 177.505 176.519 -0.004 0.000 1.144 472 W CA -0.590 56.761 57.345 0.009 0.000 1.242 472 W CB 0.686 30.057 29.460 -0.148 0.000 1.382 472 W HN -0.115 nan 8.180 nan 0.000 0.625 473 G N 0.640 109.610 108.800 0.283 0.000 2.484 473 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.235 473 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.235 473 G C 0.419 175.360 174.900 0.069 0.000 1.282 473 G CA -0.300 44.943 45.100 0.238 0.000 0.857 473 G HN 0.729 nan 8.290 nan 0.000 0.571 474 E N 0.893 121.172 120.200 0.131 0.000 2.265 474 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 474 E C 2.010 178.640 176.600 0.049 0.000 0.996 474 E CA 1.252 57.688 56.400 0.060 0.000 0.832 474 E CB -0.009 29.732 29.700 0.068 0.000 0.756 474 E HN 0.876 nan 8.360 nan 0.000 0.491 475 W N 0.067 121.356 121.300 -0.018 0.000 2.425 475 W HA -0.096 4.564 4.660 -0.000 0.000 0.277 475 W C 1.292 177.794 176.519 -0.029 0.000 1.231 475 W CA 0.514 57.833 57.345 -0.044 0.000 1.248 475 W CB -0.677 28.738 29.460 -0.075 0.000 1.117 475 W HN 0.013 nan 8.180 nan 0.000 0.568 476 M N 1.466 120.504 119.600 -0.937 0.000 2.557 476 M HA 0.120 4.600 4.480 -0.000 0.000 0.259 476 M C 1.715 177.765 176.300 -0.416 0.000 1.086 476 M CA 1.431 56.171 55.300 -0.933 0.000 1.096 476 M CB -0.823 31.168 32.600 -1.016 0.000 1.424 476 M HN 0.117 nan 8.290 nan 0.000 0.488 477 G N 0.582 109.233 108.800 -0.248 0.000 2.582 477 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.300 477 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.300 477 G C -0.198 174.608 174.900 -0.156 0.000 1.300 477 G CA -0.263 44.745 45.100 -0.153 0.000 0.959 477 G HN 0.220 nan 8.290 nan 0.000 0.548 478 V N 2.114 121.944 119.914 -0.140 0.000 2.390 478 V HA 0.399 4.519 4.120 -0.000 0.000 0.260 478 V C 1.083 177.120 176.094 -0.095 0.000 1.043 478 V CA 0.859 63.090 62.300 -0.115 0.000 1.047 478 V CB -0.664 31.052 31.823 -0.178 0.000 1.066 478 V HN 0.792 nan 8.190 nan 0.000 0.481 479 L N 1.535 122.684 121.223 -0.123 0.000 2.352 479 L HA 0.644 4.984 4.340 -0.000 0.000 0.269 479 L C 0.736 177.501 176.870 -0.175 0.000 1.034 479 L CA -0.900 53.823 54.840 -0.195 0.000 0.806 479 L CB 0.712 42.542 42.059 -0.381 0.000 1.244 479 L HN 0.432 nan 8.230 nan 0.000 0.447 480 H N 1.145 120.004 119.070 -0.352 0.000 3.221 480 H HA -0.100 4.456 4.556 -0.000 0.000 0.272 480 H C 1.203 176.279 175.328 -0.421 0.000 0.865 480 H CA 2.100 57.904 56.048 -0.407 0.000 1.419 480 H CB 0.424 29.856 29.762 -0.549 0.000 1.377 480 H HN 1.018 nan 8.280 nan 0.000 0.535 481 G N 4.636 113.209 108.800 -0.379 0.000 2.195 481 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 481 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 481 G C 1.036 175.944 174.900 0.013 0.000 0.984 481 G CA 0.409 45.389 45.100 -0.201 0.000 0.633 481 G HN 0.602 nan 8.290 nan 0.000 0.525 482 D N 0.970 121.367 120.400 -0.006 0.000 2.178 482 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 482 D C 2.451 178.728 176.300 -0.039 0.000 0.974 482 D CA 1.358 55.436 54.000 0.131 0.000 0.841 482 D CB -0.086 40.873 40.800 0.264 0.000 0.953 482 D HN 0.710 nan 8.370 nan 0.000 0.478 483 E N 1.267 121.190 120.200 -0.462 0.000 2.208 483 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 483 E C 2.230 178.571 176.600 -0.431 0.000 0.988 483 E CA 0.330 56.071 56.400 -1.098 0.000 0.828 483 E CB -0.557 28.389 29.700 -1.257 0.000 0.763 483 E HN 0.325 nan 8.360 nan 0.000 0.478 484 I N 1.725 122.294 120.570 -0.002 0.000 2.091 484 I HA -0.351 3.819 4.170 -0.000 0.000 0.239 484 I C 2.515 178.784 176.117 0.253 0.000 1.061 484 I CA 2.175 63.643 61.300 0.279 0.000 1.317 484 I CB -0.475 37.794 38.000 0.448 0.000 1.031 484 I HN 0.136 nan 8.210 nan 0.000 0.401 485 E N 0.200 120.476 120.200 0.127 0.000 2.065 485 E HA -0.290 4.059 4.350 -0.000 0.000 0.201 485 E C 2.191 178.729 176.600 -0.103 0.000 1.016 485 E CA 2.086 58.479 56.400 -0.011 0.000 0.818 485 E CB -0.509 29.137 29.700 -0.090 0.000 0.749 485 E HN 0.505 nan 8.360 nan 0.000 0.453 486 Y N -0.332 119.825 120.300 -0.239 0.000 2.165 486 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 486 Y C 2.183 177.900 175.900 -0.306 0.000 1.155 486 Y CA 1.056 58.938 58.100 -0.365 0.000 1.164 486 Y CB -0.404 37.720 38.460 -0.561 0.000 0.978 486 Y HN 0.030 nan 8.280 nan 0.000 0.513 487 F N -2.067 117.809 119.950 -0.123 0.000 2.293 487 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 487 F C 1.721 177.344 175.800 -0.295 0.000 1.086 487 F CA 0.705 58.556 58.000 -0.249 0.000 1.375 487 F CB -1.085 37.759 39.000 -0.260 0.000 1.045 487 F HN -0.005 nan 8.300 nan 0.000 0.516 488 F N -0.193 119.738 119.950 -0.032 0.000 2.789 488 F HA 0.260 4.787 4.527 -0.000 0.000 0.300 488 F C 1.918 177.616 175.800 -0.170 0.000 1.132 488 F CA 0.693 58.611 58.000 -0.138 0.000 1.404 488 F CB -0.443 38.429 39.000 -0.214 0.000 1.114 488 F HN 0.045 nan 8.300 nan 0.000 0.584 489 G N 0.332 109.106 108.800 -0.044 0.000 2.221 489 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.265 489 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.265 489 G C 1.103 175.901 174.900 -0.170 0.000 1.041 489 G CA 0.373 45.397 45.100 -0.127 0.000 0.807 489 G HN 0.295 nan 8.290 nan 0.000 0.502 490 Q N -1.179 118.500 119.800 -0.202 0.000 2.291 490 Q HA -0.050 4.290 4.340 -0.000 0.000 0.205 490 Q C -0.411 175.408 176.000 -0.302 0.000 0.970 490 Q CA 1.444 57.129 55.803 -0.197 0.000 0.876 490 Q CB -0.739 27.907 28.738 -0.153 0.000 0.935 490 Q HN 0.505 nan 8.270 nan 0.000 0.455 491 P HA -0.028 nan 4.420 nan 0.000 0.234 491 P C 0.993 178.078 177.300 -0.359 0.000 1.167 491 P CA 0.746 63.291 63.100 -0.926 0.000 0.763 491 P CB -0.050 30.917 31.700 -1.221 0.000 0.835 492 L N -1.855 119.230 121.223 -0.230 0.000 2.554 492 L HA 0.048 4.387 4.340 -0.000 0.000 0.226 492 L C 1.021 177.850 176.870 -0.067 0.000 1.137 492 L CA 0.216 54.983 54.840 -0.122 0.000 0.863 492 L CB -0.549 41.450 42.059 -0.101 0.000 0.985 492 L HN -0.020 nan 8.230 nan 0.000 0.451 493 N N 1.296 119.963 118.700 -0.055 0.000 2.402 493 N HA -0.023 4.717 4.740 -0.000 0.000 0.259 493 N C 0.556 176.079 175.510 0.023 0.000 1.167 493 N CA 0.225 53.267 53.050 -0.014 0.000 0.949 493 N CB 0.517 38.998 38.487 -0.009 0.000 1.212 493 N HN 0.143 nan 8.380 nan 0.000 0.493 494 N N 0.847 119.552 118.700 0.009 0.000 2.348 494 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 494 N C 1.160 176.677 175.510 0.011 0.000 1.019 494 N CA 0.987 54.047 53.050 0.016 0.000 0.880 494 N CB 0.224 38.713 38.487 0.004 0.000 0.965 494 N HN 0.403 nan 8.380 nan 0.000 0.437 495 S N 0.165 115.865 115.700 -0.000 0.000 2.423 495 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 495 S C 0.635 175.220 174.600 -0.026 0.000 1.014 495 S CA 0.501 58.691 58.200 -0.016 0.000 0.965 495 S CB 0.041 63.227 63.200 -0.024 0.000 0.785 495 S HN 0.225 nan 8.310 nan 0.000 0.495 496 L N 2.066 123.286 121.223 -0.005 0.000 2.305 496 L HA 0.284 4.624 4.340 -0.000 0.000 0.281 496 L C 0.499 177.333 176.870 -0.059 0.000 1.085 496 L CA -0.359 54.455 54.840 -0.042 0.000 0.813 496 L CB 0.699 42.777 42.059 0.031 0.000 1.157 496 L HN 0.172 nan 8.230 nan 0.000 0.436 497 Q N 2.993 122.669 119.800 -0.206 0.000 2.281 497 Q HA 0.203 4.543 4.340 -0.000 0.000 0.267 497 Q C -1.786 173.997 176.000 -0.361 0.000 1.053 497 Q CA 0.265 55.949 55.803 -0.197 0.000 0.905 497 Q CB 0.332 28.962 28.738 -0.180 0.000 1.195 497 Q HN 0.423 nan 8.270 nan 0.000 0.398 498 Y N 1.426 121.711 120.300 -0.026 0.000 2.581 498 Y HA 0.358 4.908 4.550 -0.000 0.000 0.337 498 Y C -0.269 175.634 175.900 0.006 0.000 1.108 498 Y CA -0.978 57.115 58.100 -0.011 0.000 1.033 498 Y CB 1.468 39.898 38.460 -0.049 0.000 1.318 498 Y HN 0.512 nan 8.280 nan 0.000 0.459 499 R N 2.368 122.999 120.500 0.220 0.000 2.641 499 R HA 0.158 4.498 4.340 -0.000 0.000 0.269 499 R C -1.843 174.517 176.300 0.100 0.000 1.074 499 R CA -1.371 54.807 56.100 0.131 0.000 1.133 499 R CB 0.278 30.656 30.300 0.129 0.000 1.029 499 R HN 0.371 nan 8.270 nan 0.000 0.488 500 P HA -0.205 nan 4.420 nan 0.000 0.216 500 P C 1.368 178.684 177.300 0.027 0.000 1.153 500 P CA 1.230 64.353 63.100 0.039 0.000 0.858 500 P CB 0.047 31.766 31.700 0.031 0.000 0.789 501 V N -1.948 117.985 119.914 0.033 0.000 2.427 501 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 501 V C 1.913 177.998 176.094 -0.014 0.000 1.051 501 V CA 1.721 64.028 62.300 0.012 0.000 1.048 501 V CB -1.603 30.231 31.823 0.018 0.000 0.666 501 V HN 0.088 nan 8.190 nan 0.000 0.456 502 E N 0.426 120.637 120.200 0.018 0.000 2.150 502 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 502 E C 2.420 178.981 176.600 -0.065 0.000 0.985 502 E CA 1.087 57.501 56.400 0.023 0.000 0.814 502 E CB -0.161 29.657 29.700 0.196 0.000 0.752 502 E HN 0.614 nan 8.360 nan 0.000 0.466 503 R N 0.599 121.054 120.500 -0.075 0.000 2.115 503 R HA -0.054 4.285 4.340 -0.000 0.000 0.226 503 R C 2.172 178.421 176.300 -0.085 0.000 1.100 503 R CA 0.568 56.587 56.100 -0.135 0.000 0.980 503 R CB 0.031 30.289 30.300 -0.070 0.000 0.875 503 R HN 0.079 nan 8.270 nan 0.000 0.445 504 E N 1.046 121.223 120.200 -0.038 0.000 2.072 504 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 504 E C 1.908 178.505 176.600 -0.006 0.000 0.985 504 E CA 0.853 57.244 56.400 -0.015 0.000 0.801 504 E CB -0.006 29.696 29.700 0.003 0.000 0.750 504 E HN 0.094 nan 8.360 nan 0.000 0.452 505 L N 0.537 121.755 121.223 -0.009 0.000 2.046 505 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 505 L C 2.227 179.103 176.870 0.009 0.000 1.077 505 L CA 2.328 57.171 54.840 0.004 0.000 0.747 505 L CB -1.100 40.926 42.059 -0.055 0.000 0.896 505 L HN 0.144 nan 8.230 nan 0.000 0.432 506 G N -0.814 107.997 108.800 0.018 0.000 2.440 506 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 506 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 506 G C 1.735 176.578 174.900 -0.096 0.000 1.154 506 G CA 0.943 45.990 45.100 -0.089 0.000 0.767 506 G HN 0.448 nan 8.290 nan 0.000 0.552 507 K N 0.260 120.616 120.400 -0.073 0.000 2.097 507 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 507 K C 2.682 179.274 176.600 -0.014 0.000 1.049 507 K CA 0.806 57.065 56.287 -0.046 0.000 0.933 507 K CB -0.159 32.324 32.500 -0.028 0.000 0.717 507 K HN 0.214 nan 8.250 nan 0.000 0.442 508 R N -0.075 120.432 120.500 0.012 0.000 2.062 508 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 508 R C 2.442 178.765 176.300 0.039 0.000 1.128 508 R CA 1.691 57.837 56.100 0.076 0.000 0.960 508 R CB -0.211 30.193 30.300 0.173 0.000 0.855 508 R HN 0.251 nan 8.270 nan 0.000 0.432 509 M N 0.581 120.096 119.600 -0.142 0.000 2.229 509 M HA -0.126 4.353 4.480 -0.000 0.000 0.264 509 M C 2.299 178.626 176.300 0.045 0.000 1.063 509 M CA 1.133 56.277 55.300 -0.260 0.000 1.114 509 M CB -0.095 32.098 32.600 -0.678 0.000 1.387 509 M HN 0.210 nan 8.290 nan 0.000 0.420 510 L N -0.623 120.588 121.223 -0.020 0.000 2.109 510 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 510 L C 2.110 178.946 176.870 -0.056 0.000 1.086 510 L CA 1.524 56.337 54.840 -0.046 0.000 0.760 510 L CB -0.323 41.689 42.059 -0.078 0.000 0.910 510 L HN 0.238 nan 8.230 nan 0.000 0.437 511 S N 0.445 116.134 115.700 -0.018 0.000 2.402 511 S HA -0.064 4.405 4.470 -0.000 0.000 0.229 511 S C 2.115 176.724 174.600 0.015 0.000 1.021 511 S CA 0.994 59.190 58.200 -0.006 0.000 0.974 511 S CB -0.206 63.008 63.200 0.024 0.000 0.800 511 S HN 0.625 nan 8.310 nan 0.000 0.484 512 A N 1.288 124.153 122.820 0.075 0.000 1.902 512 A HA -0.041 4.278 4.320 -0.000 0.000 0.217 512 A C 2.319 179.888 177.584 -0.026 0.000 1.181 512 A CA 1.433 53.539 52.037 0.116 0.000 0.623 512 A CB -0.862 18.356 19.000 0.362 0.000 0.818 512 A HN 0.341 nan 8.150 nan 0.000 0.443 513 V N 0.736 120.573 119.914 -0.127 0.000 2.261 513 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 513 V C 2.467 178.458 176.094 -0.172 0.000 1.047 513 V CA 1.848 64.003 62.300 -0.243 0.000 1.015 513 V CB -0.656 30.919 31.823 -0.414 0.000 0.642 513 V HN 0.525 nan 8.190 nan 0.000 0.446 514 I N -0.229 120.237 120.570 -0.173 0.000 2.208 514 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 514 I C 2.636 178.674 176.117 -0.132 0.000 1.097 514 I CA 1.508 62.702 61.300 -0.177 0.000 1.363 514 I CB -1.318 36.594 38.000 -0.148 0.000 1.051 514 I HN 0.355 nan 8.210 nan 0.000 0.413 515 E N 0.493 120.651 120.200 -0.070 0.000 2.077 515 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 515 E C 2.098 178.672 176.600 -0.043 0.000 0.989 515 E CA 1.119 57.492 56.400 -0.045 0.000 0.800 515 E CB -0.553 29.133 29.700 -0.022 0.000 0.746 515 E HN 0.454 nan 8.360 nan 0.000 0.452 516 F N 1.301 121.139 119.950 -0.186 0.000 2.102 516 F HA -0.150 4.377 4.527 0.000 0.000 0.298 516 F C 2.165 177.873 175.800 -0.154 0.000 1.105 516 F CA 1.639 59.523 58.000 -0.195 0.000 1.239 516 F CB -0.499 38.362 39.000 -0.232 0.000 0.991 516 F HN -0.011 nan 8.300 nan 0.000 0.474 517 A N -0.088 122.560 122.820 -0.288 0.000 2.019 517 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 517 A C 2.221 179.595 177.584 -0.351 0.000 1.164 517 A CA 1.729 53.521 52.037 -0.409 0.000 0.644 517 A CB -0.596 18.189 19.000 -0.358 0.000 0.805 517 A HN 0.500 nan 8.150 nan 0.000 0.449 518 K N -1.402 118.864 120.400 -0.224 0.000 2.211 518 K HA -0.018 4.302 4.320 -0.000 0.000 0.201 518 K C 1.572 178.288 176.600 0.193 0.000 1.052 518 K CA 1.465 57.749 56.287 -0.005 0.000 0.973 518 K CB 0.119 32.603 32.500 -0.028 0.000 0.766 518 K HN 0.628 nan 8.250 nan 0.000 0.466 519 T N -4.002 110.550 114.554 -0.003 0.000 3.058 519 T HA 0.207 4.557 4.350 -0.000 0.000 0.278 519 T C 1.043 175.680 174.700 -0.106 0.000 0.974 519 T CA 0.363 62.454 62.100 -0.014 0.000 0.893 519 T CB 0.957 69.817 68.868 -0.013 0.000 1.138 519 T HN 0.239 nan 8.240 nan 0.000 0.529 520 G N 1.753 110.382 108.800 -0.285 0.000 2.179 520 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 520 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 520 G C -0.144 174.716 174.900 -0.066 0.000 1.010 520 G CA 0.195 45.057 45.100 -0.396 0.000 0.736 520 G HN 0.815 nan 8.290 nan 0.000 0.513 521 N N -0.407 118.264 118.700 -0.048 0.000 2.549 521 N HA 0.321 5.061 4.740 -0.000 0.000 0.290 521 N C -1.336 174.056 175.510 -0.197 0.000 1.122 521 N CA -1.083 51.874 53.050 -0.155 0.000 0.885 521 N CB 2.246 40.641 38.487 -0.153 0.000 1.455 521 N HN -0.028 nan 8.380 nan 0.000 0.521 522 P HA -0.062 nan 4.420 nan 0.000 0.218 522 P C 0.256 177.418 177.300 -0.229 0.000 1.149 522 P CA 0.638 63.532 63.100 -0.343 0.000 0.817 522 P CB 0.323 31.557 31.700 -0.777 0.000 0.785 523 A N 0.646 123.257 122.820 -0.349 0.000 2.450 523 A HA 0.268 4.588 4.320 -0.000 0.000 0.255 523 A C 0.433 178.000 177.584 -0.027 0.000 1.096 523 A CA -0.236 51.755 52.037 -0.077 0.000 0.778 523 A CB -0.064 18.917 19.000 -0.032 0.000 1.031 523 A HN 0.171 nan 8.150 nan 0.000 0.494 524 Q N 1.577 121.397 119.800 0.034 0.000 2.364 524 Q HA 0.544 4.884 4.340 -0.000 0.000 0.204 524 Q C -0.652 175.379 176.000 0.051 0.000 1.002 524 Q CA -0.703 55.120 55.803 0.034 0.000 1.012 524 Q CB -0.132 28.632 28.738 0.042 0.000 1.188 524 Q HN 0.741 nan 8.270 nan 0.000 0.522 525 D N -1.727 118.701 120.400 0.047 0.000 2.339 525 D HA 0.444 5.084 4.640 -0.000 0.000 0.245 525 D C 0.808 177.145 176.300 0.062 0.000 1.115 525 D CA 0.073 54.104 54.000 0.052 0.000 0.917 525 D CB 0.596 41.420 40.800 0.041 0.000 1.192 525 D HN 0.759 nan 8.370 nan 0.000 0.428 526 G N 0.246 109.085 108.800 0.065 0.000 2.320 526 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.242 526 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.242 526 G C 0.197 175.150 174.900 0.088 0.000 1.033 526 G CA 0.385 45.526 45.100 0.068 0.000 0.620 526 G HN 0.890 nan 8.290 nan 0.000 0.517 527 E N 1.055 121.318 120.200 0.105 0.000 2.175 527 E HA 0.490 4.840 4.350 -0.000 0.000 0.278 527 E C -0.896 175.804 176.600 0.167 0.000 0.969 527 E CA -0.613 55.873 56.400 0.143 0.000 0.796 527 E CB 0.716 30.504 29.700 0.147 0.000 1.104 527 E HN 0.147 nan 8.360 nan 0.000 0.395 528 E N 4.248 124.566 120.200 0.196 0.000 2.134 528 E HA 0.152 4.502 4.350 -0.000 0.000 0.278 528 E C -1.365 175.447 176.600 0.353 0.000 0.959 528 E CA -0.383 56.151 56.400 0.222 0.000 0.783 528 E CB 0.803 30.601 29.700 0.164 0.000 1.095 528 E HN 0.500 nan 8.360 nan 0.000 0.399 529 W N 7.171 128.551 121.300 0.133 0.000 2.330 529 W HA 0.329 4.989 4.660 -0.000 0.000 0.286 529 W C -2.737 173.941 176.519 0.264 0.000 1.019 529 W CA -2.720 54.738 57.345 0.188 0.000 1.485 529 W CB 0.464 29.958 29.460 0.056 0.000 1.457 529 W HN 0.276 nan 8.180 nan 0.000 0.359 530 P HA -0.009 nan 4.420 nan 0.000 0.268 530 P C 0.470 177.919 177.300 0.247 0.000 1.208 530 P CA 0.524 63.815 63.100 0.318 0.000 0.777 530 P CB 0.794 32.626 31.700 0.220 0.000 0.875 531 N N 0.793 119.507 118.700 0.024 0.000 2.381 531 N HA 0.049 4.789 4.740 -0.000 0.000 0.241 531 N C -0.619 174.918 175.510 0.044 0.000 1.279 531 N CA 0.341 53.272 53.050 -0.200 0.000 0.896 531 N CB 0.157 38.552 38.487 -0.153 0.000 1.118 531 N HN 0.330 nan 8.380 nan 0.000 0.438 532 F N 1.091 120.996 119.950 -0.075 0.000 2.443 532 F HA 0.396 4.923 4.527 -0.000 0.000 0.335 532 F C 0.038 175.841 175.800 0.005 0.000 1.104 532 F CA -0.405 57.618 58.000 0.039 0.000 1.013 532 F CB 0.839 39.927 39.000 0.147 0.000 1.136 532 F HN 0.397 nan 8.300 nan 0.000 0.470 533 S N 5.100 120.416 115.700 -0.641 0.000 2.596 533 S HA 0.289 4.759 4.470 -0.000 0.000 0.270 533 S C 0.310 174.532 174.600 -0.630 0.000 1.155 533 S CA -0.801 57.149 58.200 -0.417 0.000 0.827 533 S CB 1.762 64.850 63.200 -0.187 0.000 1.130 533 S HN 0.878 nan 8.310 nan 0.000 0.467 534 K N 0.484 120.693 120.400 -0.318 0.000 2.063 534 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 534 K C 1.301 177.774 176.600 -0.211 0.000 1.048 534 K CA 2.160 58.306 56.287 -0.233 0.000 0.928 534 K CB -0.409 32.038 32.500 -0.089 0.000 0.713 534 K HN 0.654 nan 8.250 nan 0.000 0.442 535 E N 0.961 121.059 120.200 -0.170 0.000 2.038 535 E HA -0.160 4.189 4.350 -0.000 0.000 0.195 535 E C 0.295 176.811 176.600 -0.140 0.000 1.000 535 E CA 1.497 57.824 56.400 -0.122 0.000 0.803 535 E CB -0.086 29.560 29.700 -0.090 0.000 0.750 535 E HN 0.308 nan 8.360 nan 0.000 0.448 536 D N -0.520 119.764 120.400 -0.193 0.000 2.375 536 D HA 0.137 4.777 4.640 -0.000 0.000 0.259 536 D C -2.588 173.531 176.300 -0.301 0.000 1.235 536 D CA -2.370 51.527 54.000 -0.171 0.000 0.924 536 D CB 1.011 41.752 40.800 -0.098 0.000 1.143 536 D HN -0.137 nan 8.370 nan 0.000 0.529 537 P HA 0.084 nan 4.420 nan 0.000 0.225 537 P C -0.224 177.113 177.300 0.061 0.000 1.813 537 P CA -0.300 62.468 63.100 -0.554 0.000 1.013 537 P CB 0.120 31.599 31.700 -0.368 0.000 1.961 538 V N 2.610 122.605 119.914 0.135 0.000 2.649 538 V HA 0.351 4.470 4.120 -0.000 0.000 0.292 538 V C 0.179 176.576 176.094 0.504 0.000 1.055 538 V CA -0.464 61.967 62.300 0.217 0.000 1.023 538 V CB -0.302 31.622 31.823 0.167 0.000 0.992 538 V HN 0.386 nan 8.190 nan 0.000 0.480 539 Y N 1.577 122.022 120.300 0.242 0.000 2.524 539 Y HA 0.700 5.250 4.550 -0.000 0.000 0.347 539 Y C -1.134 174.814 175.900 0.080 0.000 1.005 539 Y CA -1.921 56.358 58.100 0.298 0.000 1.025 539 Y CB 1.249 39.865 38.460 0.260 0.000 1.275 539 Y HN 0.573 nan 8.280 nan 0.000 0.460 540 Y N 4.269 124.475 120.300 -0.156 0.000 2.336 540 Y HA 0.515 5.065 4.550 -0.000 0.000 0.335 540 Y C -0.524 175.168 175.900 -0.348 0.000 1.046 540 Y CA -1.044 56.635 58.100 -0.702 0.000 1.198 540 Y CB 0.683 37.946 38.460 -1.996 0.000 1.182 540 Y HN 0.580 nan 8.280 nan 0.000 0.502 541 I N 7.433 127.662 120.570 -0.568 0.000 2.352 541 I HA 0.077 4.247 4.170 -0.000 0.000 0.290 541 I C -0.714 175.186 176.117 -0.362 0.000 1.036 541 I CA -0.547 60.632 61.300 -0.203 0.000 1.336 541 I CB -0.175 37.747 38.000 -0.131 0.000 1.407 541 I HN 0.488 nan 8.210 nan 0.000 0.497 542 F N 4.671 124.649 119.950 0.046 0.000 2.391 542 F HA 0.466 4.993 4.527 -0.000 0.000 0.359 542 F C 0.714 176.438 175.800 -0.127 0.000 1.122 542 F CA -0.098 57.922 58.000 0.034 0.000 1.120 542 F CB 1.322 40.442 39.000 0.200 0.000 1.142 542 F HN 0.477 nan 8.300 nan 0.000 0.483 543 S N 0.953 116.691 115.700 0.064 0.000 2.588 543 S HA 0.420 4.890 4.470 -0.000 0.000 0.269 543 S C 0.501 175.072 174.600 -0.049 0.000 1.157 543 S CA -0.036 58.135 58.200 -0.048 0.000 0.824 543 S CB 1.178 64.350 63.200 -0.046 0.000 1.126 543 S HN 0.620 nan 8.310 nan 0.000 0.464 544 T N -0.903 113.624 114.554 -0.045 0.000 3.051 544 T HA 0.180 4.530 4.350 -0.000 0.000 0.255 544 T C 0.414 175.120 174.700 0.010 0.000 1.085 544 T CA 0.367 62.438 62.100 -0.049 0.000 1.109 544 T CB -0.408 68.425 68.868 -0.059 0.000 0.921 544 T HN 0.515 nan 8.240 nan 0.000 0.488 545 D N 3.569 123.984 120.400 0.024 0.000 2.382 545 D HA 0.045 4.685 4.640 -0.000 0.000 0.259 545 D C 0.363 176.659 176.300 -0.006 0.000 1.224 545 D CA -0.205 53.803 54.000 0.013 0.000 0.894 545 D CB 0.768 41.574 40.800 0.009 0.000 1.127 545 D HN 0.419 nan 8.370 nan 0.000 0.487 546 D N 2.544 122.943 120.400 -0.001 0.000 2.328 546 D HA -0.029 4.611 4.640 -0.000 0.000 0.221 546 D C 0.753 177.045 176.300 -0.013 0.000 1.072 546 D CA 0.129 54.124 54.000 -0.008 0.000 0.850 546 D CB 0.098 40.900 40.800 0.004 0.000 0.922 546 D HN 0.335 nan 8.370 nan 0.000 0.516 547 K N -0.010 120.382 120.400 -0.012 0.000 2.323 547 K HA 0.157 4.477 4.320 -0.000 0.000 0.197 547 K C 0.940 177.525 176.600 -0.024 0.000 1.043 547 K CA 0.016 56.295 56.287 -0.013 0.000 0.997 547 K CB 0.221 32.718 32.500 -0.005 0.000 0.807 547 K HN 0.274 nan 8.250 nan 0.000 0.497 548 I N -0.586 119.963 120.570 -0.034 0.000 2.945 548 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 548 I C 0.010 176.081 176.117 -0.076 0.000 1.093 548 I CA -0.754 60.517 61.300 -0.048 0.000 1.336 548 I CB 0.499 38.471 38.000 -0.047 0.000 1.435 548 I HN -0.200 nan 8.210 nan 0.000 0.593 549 E N 2.600 122.747 120.200 -0.088 0.000 2.223 549 E HA 0.173 4.523 4.350 -0.000 0.000 0.282 549 E C 0.423 176.907 176.600 -0.194 0.000 1.046 549 E CA -0.222 56.109 56.400 -0.116 0.000 0.857 549 E CB 0.860 30.499 29.700 -0.102 0.000 1.055 549 E HN 0.518 nan 8.360 nan 0.000 0.409 550 K N 3.847 124.098 120.400 -0.248 0.000 2.074 550 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 550 K C 0.662 176.937 176.600 -0.541 0.000 1.048 550 K CA 1.259 57.264 56.287 -0.470 0.000 0.926 550 K CB -0.719 31.480 32.500 -0.502 0.000 0.713 550 K HN 0.543 nan 8.250 nan 0.000 0.444 551 L N -2.349 118.662 121.223 -0.354 0.000 2.386 551 L HA 0.793 5.133 4.340 -0.000 0.000 0.271 551 L C -0.858 175.784 176.870 -0.382 0.000 0.993 551 L CA -1.117 53.501 54.840 -0.369 0.000 0.819 551 L CB 2.307 44.248 42.059 -0.196 0.000 1.294 551 L HN -0.184 nan 8.230 nan 0.000 0.414 552 A N 2.694 125.117 122.820 -0.662 0.000 2.488 552 A HA 0.692 5.012 4.320 -0.000 0.000 0.298 552 A C 0.064 177.180 177.584 -0.780 0.000 1.044 552 A CA -0.814 50.903 52.037 -0.534 0.000 0.693 552 A CB 1.883 20.671 19.000 -0.354 0.000 1.272 552 A HN 0.913 nan 8.150 nan 0.000 0.402 553 R N 1.723 122.049 120.500 -0.290 0.000 2.254 553 R HA 0.137 4.477 4.340 -0.000 0.000 0.193 553 R C 1.786 178.154 176.300 0.115 0.000 0.929 553 R CA 0.792 56.866 56.100 -0.042 0.000 1.038 553 R CB 0.190 30.477 30.300 -0.021 0.000 1.009 553 R HN 0.727 nan 8.270 nan 0.000 0.512 554 G N 3.032 111.855 108.800 0.039 0.000 2.453 554 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 554 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 554 G C -0.796 174.156 174.900 0.087 0.000 1.201 554 G CA 0.536 45.667 45.100 0.051 0.000 0.784 554 G HN 0.166 nan 8.290 nan 0.000 0.545 555 P HA -0.099 nan 4.420 nan 0.000 0.215 555 P C 2.160 179.495 177.300 0.057 0.000 1.163 555 P CA 0.825 63.979 63.100 0.089 0.000 0.894 555 P CB -0.161 31.603 31.700 0.107 0.000 0.791 556 L N -1.476 119.769 121.223 0.037 0.000 2.056 556 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 556 L C 2.396 179.280 176.870 0.023 0.000 1.078 556 L CA 1.577 56.352 54.840 -0.109 0.000 0.749 556 L CB -1.057 40.727 42.059 -0.458 0.000 0.901 556 L HN -0.040 nan 8.230 nan 0.000 0.433 557 A N 0.047 122.911 122.820 0.073 0.000 1.908 557 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 557 A C 2.503 180.143 177.584 0.092 0.000 1.181 557 A CA 1.897 53.984 52.037 0.084 0.000 0.627 557 A CB -0.653 18.390 19.000 0.072 0.000 0.818 557 A HN 0.440 nan 8.150 nan 0.000 0.445 558 A N -0.432 122.434 122.820 0.077 0.000 1.858 558 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 558 A C 2.259 179.905 177.584 0.104 0.000 1.190 558 A CA 1.479 53.557 52.037 0.069 0.000 0.617 558 A CB -0.540 18.482 19.000 0.037 0.000 0.827 558 A HN 0.519 nan 8.150 nan 0.000 0.443 559 R N -0.884 119.686 120.500 0.117 0.000 2.094 559 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 559 R C 2.224 178.738 176.300 0.356 0.000 1.137 559 R CA 1.956 58.174 56.100 0.196 0.000 0.943 559 R CB -0.838 29.583 30.300 0.202 0.000 0.850 559 R HN 0.614 nan 8.270 nan 0.000 0.433 560 c N 0.119 118.909 118.600 0.317 0.000 2.495 560 c HA 0.005 4.575 4.570 -0.000 0.000 0.275 560 c C 3.001 177.299 174.090 0.347 0.000 1.392 560 c CA 0.647 57.217 56.329 0.401 0.000 1.766 560 c CB -0.747 41.930 42.510 0.279 0.000 1.933 560 c HN 0.633 nan 8.230 nan 0.000 0.519 561 S N 1.208 117.055 115.700 0.245 0.000 2.419 561 S HA -0.252 4.218 4.470 -0.000 0.000 0.235 561 S C 1.620 176.353 174.600 0.221 0.000 1.019 561 S CA 1.569 59.885 58.200 0.193 0.000 0.982 561 S CB -0.836 62.446 63.200 0.137 0.000 0.789 561 S HN 0.610 nan 8.310 nan 0.000 0.490 562 F N 0.969 120.974 119.950 0.093 0.000 2.102 562 F HA 0.079 4.606 4.527 -0.000 0.000 0.298 562 F C 1.738 177.541 175.800 0.005 0.000 1.105 562 F CA 1.145 59.142 58.000 -0.005 0.000 1.239 562 F CB -0.585 38.303 39.000 -0.186 0.000 0.991 562 F HN 0.232 nan 8.300 nan 0.000 0.474 563 W N 0.401 121.749 121.300 0.079 0.000 2.481 563 W HA 0.003 4.663 4.660 -0.000 0.000 0.293 563 W C 1.583 178.089 176.519 -0.022 0.000 1.201 563 W CA 0.664 57.986 57.345 -0.039 0.000 1.328 563 W CB -0.512 29.056 29.460 0.181 0.000 1.112 563 W HN -0.122 nan 8.180 nan 0.000 0.546 564 N N 0.115 118.980 118.700 0.276 0.000 2.313 564 N HA 0.004 4.743 4.740 -0.000 0.000 0.207 564 N C -0.129 175.446 175.510 0.109 0.000 1.141 564 N CA 0.785 53.941 53.050 0.176 0.000 0.830 564 N CB 0.132 38.728 38.487 0.181 0.000 1.008 564 N HN 0.245 nan 8.380 nan 0.000 0.481 565 D N -1.567 118.881 120.400 0.081 0.000 2.574 565 D HA -0.046 4.594 4.640 -0.000 0.000 0.166 565 D C 1.205 177.536 176.300 0.052 0.000 1.445 565 D CA -0.137 53.906 54.000 0.072 0.000 1.453 565 D CB -0.027 40.834 40.800 0.102 0.000 1.814 565 D HN -0.005 nan 8.370 nan 0.000 0.327 566 Y N 2.237 122.482 120.300 -0.091 0.000 2.084 566 Y HA -0.068 4.481 4.550 -0.000 0.000 0.279 566 Y C 2.268 178.047 175.900 -0.202 0.000 1.119 566 Y CA 1.284 59.307 58.100 -0.127 0.000 1.101 566 Y CB -0.628 37.761 38.460 -0.118 0.000 0.989 566 Y HN -0.101 nan 8.280 nan 0.000 0.484 567 L N 1.207 122.152 121.223 -0.464 0.000 2.103 567 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 567 L C -0.864 175.817 176.870 -0.315 0.000 1.080 567 L CA 2.235 56.758 54.840 -0.529 0.000 0.764 567 L CB -1.839 39.853 42.059 -0.611 0.000 0.890 567 L HN 0.218 nan 8.230 nan 0.000 0.435 568 P HA -0.189 nan 4.420 nan 0.000 0.219 568 P C 1.275 178.502 177.300 -0.121 0.000 1.146 568 P CA 1.643 64.682 63.100 -0.102 0.000 0.808 568 P CB -0.047 31.627 31.700 -0.043 0.000 0.779 569 K N -0.804 119.478 120.400 -0.197 0.000 2.137 569 K HA 0.027 4.347 4.320 -0.000 0.000 0.202 569 K C 2.029 178.502 176.600 -0.213 0.000 1.052 569 K CA 0.660 56.839 56.287 -0.180 0.000 0.961 569 K CB -0.638 31.745 32.500 -0.195 0.000 0.741 569 K HN -0.049 nan 8.250 nan 0.000 0.452 570 V N 1.772 121.468 119.914 -0.363 0.000 2.407 570 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 570 V C 2.363 178.376 176.094 -0.134 0.000 1.055 570 V CA 1.541 63.669 62.300 -0.286 0.000 1.049 570 V CB -0.493 31.108 31.823 -0.371 0.000 0.662 570 V HN 0.286 nan 8.190 nan 0.000 0.455 571 R N 0.596 121.020 120.500 -0.127 0.000 2.112 571 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 571 R C 1.597 177.897 176.300 -0.000 0.000 1.137 571 R CA 1.590 57.654 56.100 -0.060 0.000 0.944 571 R CB -0.511 29.759 30.300 -0.050 0.000 0.857 571 R HN 0.496 nan 8.270 nan 0.000 0.435 572 S N 1.063 116.785 115.700 0.037 0.000 2.964 572 S HA -0.110 4.360 4.470 -0.000 0.000 0.356 572 S C -0.792 173.987 174.600 0.298 0.000 1.118 572 S CA -0.042 58.263 58.200 0.176 0.000 1.581 572 S CB -0.708 62.554 63.200 0.103 0.000 1.227 572 S HN 0.271 nan 8.310 nan 0.000 0.594 573 W N 0.000 121.276 121.300 -0.040 0.000 2.388 573 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 573 W CA 0.000 57.326 57.345 -0.031 0.000 1.226 573 W CB 0.000 29.445 29.460 -0.025 0.000 1.126 573 W HN 0.000 nan 8.180 nan 0.000 0.535