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 3l3o_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREXXXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.553 174.600 -0.079 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2 P HA 0.330 nan 4.420 nan 0.000 0.269 2 P C -0.675 176.412 177.300 -0.356 0.000 1.209 2 P CA -0.240 62.700 63.100 -0.267 0.000 0.776 2 P CB 0.373 31.894 31.700 -0.300 0.000 0.876 3 M N 2.972 122.290 119.600 -0.469 0.000 2.326 3 M HA 0.356 4.836 4.480 0.000 0.000 0.292 3 M C -1.915 174.059 176.300 -0.543 0.000 1.081 3 M CA -0.708 54.371 55.300 -0.368 0.000 0.919 3 M CB 1.440 34.007 32.600 -0.055 0.000 1.634 3 M HN 0.257 nan 8.290 nan 0.000 0.451 4 Y N 1.870 122.028 120.300 -0.236 0.000 2.352 4 Y HA 0.564 5.114 4.550 0.000 0.000 0.339 4 Y C 0.281 176.020 175.900 -0.268 0.000 0.992 4 Y CA -0.582 57.174 58.100 -0.574 0.000 1.100 4 Y CB 1.809 39.398 38.460 -1.451 0.000 1.192 4 Y HN 0.627 nan 8.280 nan 0.000 0.458 5 S N 2.856 118.529 115.700 -0.045 0.000 2.503 5 S HA 0.754 5.224 4.470 0.000 0.000 0.301 5 S C -1.274 173.282 174.600 -0.074 0.000 1.087 5 S CA -0.667 57.443 58.200 -0.150 0.000 1.042 5 S CB 1.836 64.950 63.200 -0.143 0.000 1.043 5 S HN 0.467 nan 8.310 nan 0.000 0.489 6 I N 2.487 122.922 120.570 -0.225 0.000 2.406 6 I HA 0.564 4.734 4.170 0.000 0.000 0.290 6 I C -1.051 174.959 176.117 -0.178 0.000 0.999 6 I CA -1.726 59.526 61.300 -0.079 0.000 1.124 6 I CB 1.265 39.269 38.000 0.007 0.000 1.289 6 I HN 0.777 nan 8.210 nan 0.000 0.441 7 I N 6.798 127.353 120.570 -0.026 0.000 2.439 7 I HA 0.437 4.607 4.170 0.000 0.000 0.285 7 I C -0.326 175.853 176.117 0.102 0.000 1.021 7 I CA -0.438 60.896 61.300 0.057 0.000 1.091 7 I CB 1.859 39.957 38.000 0.164 0.000 1.242 7 I HN 0.567 nan 8.210 nan 0.000 0.439 8 T N 2.877 117.495 114.554 0.107 0.000 2.887 8 T HA 0.606 4.956 4.350 0.000 0.000 0.292 8 T C -2.995 171.767 174.700 0.104 0.000 1.087 8 T CA -2.554 59.611 62.100 0.109 0.000 1.009 8 T CB 2.086 71.024 68.868 0.116 0.000 1.203 8 T HN 0.080 nan 8.240 nan 0.000 0.518 9 P HA 0.252 nan 4.420 nan 0.000 0.268 9 P C 0.619 177.958 177.300 0.064 0.000 1.205 9 P CA -0.208 62.926 63.100 0.057 0.000 0.771 9 P CB 0.362 32.075 31.700 0.021 0.000 0.858 10 N N 1.607 120.342 118.700 0.059 0.000 2.258 10 N HA -0.094 4.646 4.740 0.000 0.000 0.187 10 N C 0.263 175.805 175.510 0.053 0.000 1.012 10 N CA 1.331 54.417 53.050 0.060 0.000 0.870 10 N CB -0.125 38.395 38.487 0.055 0.000 0.977 10 N HN 0.430 nan 8.380 nan 0.000 0.434 11 I N 0.616 121.205 120.570 0.032 0.000 2.611 11 I HA 0.161 4.331 4.170 0.000 0.000 0.287 11 I C -0.559 175.553 176.117 -0.008 0.000 1.184 11 I CA -0.522 60.785 61.300 0.012 0.000 1.054 11 I CB 1.941 39.935 38.000 -0.011 0.000 1.257 11 I HN -0.219 nan 8.210 nan 0.000 0.435 12 L N 5.550 126.780 121.223 0.011 0.000 2.567 12 L HA 0.591 4.932 4.340 0.000 0.000 0.238 12 L C 0.017 176.863 176.870 -0.040 0.000 1.168 12 L CA -0.733 54.116 54.840 0.016 0.000 0.817 12 L CB 0.567 42.690 42.059 0.106 0.000 1.409 12 L HN 0.515 nan 8.230 nan 0.000 0.502 13 R N -0.251 120.225 120.500 -0.039 0.000 2.698 13 R HA 0.572 4.912 4.340 0.000 0.000 0.275 13 R C -1.525 174.762 176.300 -0.022 0.000 1.001 13 R CA -0.825 55.229 56.100 -0.076 0.000 0.896 13 R CB 1.765 31.955 30.300 -0.183 0.000 1.218 13 R HN 0.349 nan 8.270 nan 0.000 0.462 14 L N 2.122 123.334 121.223 -0.018 0.000 2.417 14 L HA 0.247 4.587 4.340 0.000 0.000 0.268 14 L C 0.408 177.269 176.870 -0.015 0.000 1.158 14 L CA -0.047 54.792 54.840 -0.003 0.000 0.819 14 L CB 0.431 42.486 42.059 -0.005 0.000 1.112 14 L HN 0.777 nan 8.230 nan 0.000 0.458 15 E N -0.372 119.823 120.200 -0.007 0.000 2.883 15 E HA -0.224 4.126 4.350 0.000 0.000 0.271 15 E C -0.297 176.284 176.600 -0.031 0.000 1.049 15 E CA 0.741 57.127 56.400 -0.023 0.000 0.817 15 E CB -1.154 28.516 29.700 -0.050 0.000 1.407 15 E HN 0.733 nan 8.360 nan 0.000 0.434 16 S N -0.751 114.932 115.700 -0.029 0.000 2.569 16 S HA 0.463 4.933 4.470 0.000 0.000 0.280 16 S C -0.470 174.081 174.600 -0.082 0.000 1.111 16 S CA -1.076 57.096 58.200 -0.046 0.000 0.887 16 S CB 2.295 65.471 63.200 -0.040 0.000 1.095 16 S HN 0.143 nan 8.310 nan 0.000 0.476 17 E N 1.278 121.416 120.200 -0.104 0.000 2.344 17 E HA 0.287 4.637 4.350 0.000 0.000 0.270 17 E C -0.192 176.240 176.600 -0.281 0.000 1.021 17 E CA -0.140 56.151 56.400 -0.182 0.000 0.887 17 E CB 0.570 30.190 29.700 -0.132 0.000 0.997 17 E HN 0.513 nan 8.360 nan 0.000 0.429 18 E N 1.200 121.067 120.200 -0.555 0.000 2.355 18 E HA 0.499 4.849 4.350 0.000 0.000 0.261 18 E C -0.768 175.440 176.600 -0.654 0.000 0.943 18 E CA -0.719 55.319 56.400 -0.605 0.000 0.806 18 E CB 2.227 31.508 29.700 -0.698 0.000 1.286 18 E HN 0.310 nan 8.360 nan 0.000 0.424 19 T N 1.212 115.540 114.554 -0.378 0.000 2.933 19 T HA 0.607 4.957 4.350 0.000 0.000 0.305 19 T C -0.325 174.350 174.700 -0.041 0.000 1.092 19 T CA -0.756 61.228 62.100 -0.193 0.000 1.008 19 T CB 1.166 69.969 68.868 -0.108 0.000 1.102 19 T HN 0.489 nan 8.240 nan 0.000 0.469 20 M N 1.100 120.732 119.600 0.054 0.000 2.484 20 M HA 0.777 5.257 4.480 0.000 0.000 0.289 20 M C -1.843 174.513 176.300 0.093 0.000 1.206 20 M CA -0.995 54.367 55.300 0.103 0.000 0.892 20 M CB 1.879 34.581 32.600 0.169 0.000 1.712 20 M HN 0.286 nan 8.290 nan 0.000 0.462 21 V N 4.121 124.097 119.914 0.103 0.000 2.406 21 V HA 0.408 4.529 4.120 0.000 0.000 0.272 21 V C -0.172 176.004 176.094 0.137 0.000 1.043 21 V CA -0.533 61.836 62.300 0.115 0.000 0.915 21 V CB 0.703 32.612 31.823 0.143 0.000 0.988 21 V HN 0.776 nan 8.190 nan 0.000 0.466 22 L N 5.098 126.408 121.223 0.146 0.000 2.289 22 L HA 0.661 5.001 4.340 0.000 0.000 0.285 22 L C 0.116 177.106 176.870 0.199 0.000 1.049 22 L CA -0.150 54.826 54.840 0.227 0.000 0.804 22 L CB 1.039 43.224 42.059 0.210 0.000 1.195 22 L HN 0.636 nan 8.230 nan 0.000 0.428 23 E N 1.900 122.207 120.200 0.178 0.000 2.314 23 E HA 0.665 5.015 4.350 0.000 0.000 0.272 23 E C -1.228 175.243 176.600 -0.216 0.000 0.884 23 E CA -0.898 55.478 56.400 -0.040 0.000 0.753 23 E CB 2.610 32.236 29.700 -0.123 0.000 1.213 23 E HN 0.637 nan 8.360 nan 0.000 0.432 24 A N 3.255 125.928 122.820 -0.244 0.000 2.293 24 A HA 0.380 4.700 4.320 0.000 0.000 0.312 24 A C -1.036 176.292 177.584 -0.428 0.000 1.309 24 A CA -0.677 51.139 52.037 -0.368 0.000 0.839 24 A CB 0.310 19.169 19.000 -0.236 0.000 1.155 24 A HN 0.542 nan 8.150 nan 0.000 0.501 25 H N 2.207 121.143 119.070 -0.224 0.000 2.652 25 H HA 0.235 4.791 4.556 0.000 0.000 0.298 25 H C -0.546 174.686 175.328 -0.161 0.000 1.076 25 H CA 0.326 56.334 56.048 -0.068 0.000 1.360 25 H CB 1.079 30.849 29.762 0.014 0.000 1.421 25 H HN 0.833 nan 8.280 nan 0.000 0.464 26 D N 0.483 120.900 120.400 0.029 0.000 3.091 26 D HA -0.134 4.506 4.640 0.000 0.000 0.216 26 D C 0.121 176.352 176.300 -0.115 0.000 1.129 26 D CA 1.012 55.002 54.000 -0.015 0.000 0.913 26 D CB -1.066 39.728 40.800 -0.010 0.000 1.101 26 D HN 0.715 nan 8.370 nan 0.000 0.426 27 A N -0.354 122.315 122.820 -0.252 0.000 2.299 27 A HA 0.728 5.048 4.320 0.000 0.000 0.332 27 A C 0.161 177.629 177.584 -0.194 0.000 1.131 27 A CA -0.519 51.373 52.037 -0.241 0.000 0.844 27 A CB 1.435 20.258 19.000 -0.295 0.000 1.251 27 A HN -0.051 nan 8.150 nan 0.000 0.486 28 Q N -0.016 119.740 119.800 -0.074 0.000 2.306 28 Q HA 0.546 4.886 4.340 0.000 0.000 0.265 28 Q C 0.441 176.468 176.000 0.045 0.000 1.022 28 Q CA 0.393 56.203 55.803 0.012 0.000 0.853 28 Q CB 1.629 30.380 28.738 0.022 0.000 1.327 28 Q HN 1.805 nan 8.270 nan 0.000 0.449 29 G N 2.454 111.311 108.800 0.095 0.000 2.907 29 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 29 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 29 G C -0.963 174.006 174.900 0.114 0.000 1.448 29 G CA -0.498 44.657 45.100 0.093 0.000 0.911 29 G HN 0.631 nan 8.290 nan 0.000 0.553 30 D N -0.806 119.650 120.400 0.094 0.000 2.455 30 D HA 0.398 5.038 4.640 0.000 0.000 0.241 30 D C 0.442 176.800 176.300 0.096 0.000 1.138 30 D CA 0.208 54.267 54.000 0.099 0.000 0.877 30 D CB 1.348 42.189 40.800 0.068 0.000 1.187 30 D HN 0.500 nan 8.370 nan 0.000 0.451 31 V N 4.234 124.219 119.914 0.119 0.000 2.409 31 V HA 0.326 4.446 4.120 0.000 0.000 0.290 31 V C -2.336 173.825 176.094 0.112 0.000 1.017 31 V CA -1.631 60.744 62.300 0.125 0.000 0.841 31 V CB 1.846 33.779 31.823 0.183 0.000 1.003 31 V HN 0.425 nan 8.190 nan 0.000 0.426 32 P HA 0.473 nan 4.420 nan 0.000 0.285 32 P C -1.037 176.263 177.300 -0.001 0.000 1.259 32 P CA -0.298 62.821 63.100 0.032 0.000 0.794 32 P CB 1.435 33.144 31.700 0.014 0.000 0.940 33 V N 2.128 122.017 119.914 -0.042 0.000 2.709 33 V HA 0.616 4.736 4.120 0.000 0.000 0.308 33 V C 0.048 176.046 176.094 -0.160 0.000 1.062 33 V CA -0.597 61.606 62.300 -0.162 0.000 0.901 33 V CB 2.167 33.840 31.823 -0.249 0.000 1.003 33 V HN 0.668 nan 8.190 nan 0.000 0.425 34 T N 1.161 115.594 114.554 -0.201 0.000 2.829 34 T HA 0.836 5.186 4.350 0.000 0.000 0.280 34 T C -0.911 173.673 174.700 -0.192 0.000 0.999 34 T CA -0.668 61.340 62.100 -0.152 0.000 0.983 34 T CB 1.678 70.480 68.868 -0.110 0.000 0.968 34 T HN 0.393 nan 8.240 nan 0.000 0.446 35 V N 3.089 122.908 119.914 -0.158 0.000 2.656 35 V HA 0.743 4.863 4.120 0.000 0.000 0.307 35 V C -0.133 175.853 176.094 -0.179 0.000 1.051 35 V CA -0.620 61.576 62.300 -0.174 0.000 0.893 35 V CB 2.200 33.928 31.823 -0.158 0.000 0.999 35 V HN 1.186 nan 8.190 nan 0.000 0.426 36 T N 3.306 117.736 114.554 -0.206 0.000 2.952 36 T HA 0.609 4.959 4.350 0.000 0.000 0.305 36 T C -0.782 173.691 174.700 -0.378 0.000 1.064 36 T CA -0.469 61.459 62.100 -0.288 0.000 1.008 36 T CB 1.921 70.653 68.868 -0.226 0.000 1.078 36 T HN 0.380 nan 8.240 nan 0.000 0.459 37 V N 3.820 123.436 119.914 -0.497 0.000 2.513 37 V HA 0.576 4.696 4.120 0.000 0.000 0.299 37 V C -0.448 175.321 176.094 -0.542 0.000 1.035 37 V CA -0.883 61.163 62.300 -0.423 0.000 0.889 37 V CB 1.428 33.013 31.823 -0.397 0.000 0.988 37 V HN 0.854 nan 8.190 nan 0.000 0.440 38 H N 2.208 121.252 119.070 -0.043 0.000 2.690 38 H HA 0.344 4.900 4.556 0.000 0.000 0.368 38 H C -0.720 174.635 175.328 0.045 0.000 1.150 38 H CA -0.725 55.321 56.048 -0.004 0.000 1.174 38 H CB 2.236 32.000 29.762 0.004 0.000 1.684 38 H HN 0.910 nan 8.280 nan 0.000 0.538 39 D N 1.306 121.803 120.400 0.162 0.000 2.364 39 D HA -0.034 4.606 4.640 0.000 0.000 0.236 39 D C -0.604 175.831 176.300 0.225 0.000 1.221 39 D CA 0.210 54.302 54.000 0.155 0.000 0.891 39 D CB 1.078 41.936 40.800 0.097 0.000 1.190 39 D HN 0.246 nan 8.370 nan 0.000 0.449 40 F N 0.536 120.533 119.950 0.079 0.000 2.529 40 F HA 0.480 5.007 4.527 0.000 0.000 0.320 40 F C -2.523 173.323 175.800 0.076 0.000 1.118 40 F CA -1.680 56.367 58.000 0.079 0.000 0.915 40 F CB 1.775 40.842 39.000 0.111 0.000 1.161 40 F HN 0.195 nan 8.300 nan 0.000 0.445 41 P HA 0.849 nan 4.420 nan 0.000 0.284 41 P C -0.200 176.912 177.300 -0.312 0.000 1.287 41 P CA -0.028 62.547 63.100 -0.876 0.000 0.824 41 P CB 1.524 32.555 31.700 -1.115 0.000 1.180 42 G N -0.251 108.407 108.800 -0.237 0.000 2.456 42 G HA2 -0.001 3.959 3.960 0.000 0.000 0.204 42 G HA3 -0.001 3.959 3.960 0.000 0.000 0.204 42 G C -1.396 173.442 174.900 -0.103 0.000 1.193 42 G CA -0.615 44.403 45.100 -0.137 0.000 1.220 42 G HN 0.664 nan 8.290 nan 0.000 0.565 43 K N -0.090 120.274 120.400 -0.060 0.000 2.589 43 K HA 0.521 4.841 4.320 0.000 0.000 0.253 43 K C -0.165 176.463 176.600 0.047 0.000 0.974 43 K CA -0.520 55.746 56.287 -0.035 0.000 0.835 43 K CB 2.174 34.605 32.500 -0.116 0.000 1.272 43 K HN 0.463 nan 8.250 nan 0.000 0.444 44 K N 2.115 122.595 120.400 0.133 0.000 2.491 44 K HA 0.184 4.504 4.320 0.000 0.000 0.211 44 K C -0.037 176.626 176.600 0.105 0.000 1.210 44 K CA -0.067 56.274 56.287 0.090 0.000 1.003 44 K CB 0.486 33.021 32.500 0.058 0.000 1.009 44 K HN 0.514 nan 8.250 nan 0.000 0.577 45 L N 1.112 122.472 121.223 0.229 0.000 3.660 45 L HA -0.202 4.138 4.340 0.000 0.000 0.440 45 L C 0.484 177.286 176.870 -0.112 0.000 1.262 45 L CA 0.399 55.251 54.840 0.019 0.000 0.837 45 L CB -1.250 40.863 42.059 0.090 0.000 1.689 45 L HN 0.113 nan 8.230 nan 0.000 0.890 46 V N -1.972 117.866 119.914 -0.127 0.000 2.720 46 V HA 0.027 4.147 4.120 0.000 0.000 0.256 46 V C 1.095 177.115 176.094 -0.122 0.000 1.082 46 V CA 1.612 63.856 62.300 -0.093 0.000 1.101 46 V CB -0.431 31.353 31.823 -0.066 0.000 0.693 46 V HN 0.540 nan 8.190 nan 0.000 0.479 47 L N 0.319 121.419 121.223 -0.204 0.000 2.849 47 L HA 0.421 4.761 4.340 0.000 0.000 0.256 47 L C 0.317 177.050 176.870 -0.228 0.000 0.951 47 L CA 0.567 55.297 54.840 -0.183 0.000 1.003 47 L CB 1.850 43.796 42.059 -0.189 0.000 1.408 47 L HN 0.175 nan 8.230 nan 0.000 0.463 48 S N -1.051 114.557 115.700 -0.154 0.000 2.628 48 S HA -0.027 4.444 4.470 0.000 0.000 0.246 48 S C 1.606 176.155 174.600 -0.085 0.000 1.062 48 S CA 0.341 58.458 58.200 -0.138 0.000 1.028 48 S CB 0.517 63.650 63.200 -0.112 0.000 0.985 48 S HN 0.689 nan 8.310 nan 0.000 0.551 49 S N 2.212 117.876 115.700 -0.060 0.000 2.407 49 S HA -0.153 4.317 4.470 0.000 0.000 0.235 49 S C 0.611 175.193 174.600 -0.029 0.000 1.036 49 S CA 0.929 59.108 58.200 -0.034 0.000 1.013 49 S CB -0.757 62.432 63.200 -0.018 0.000 0.820 49 S HN 0.556 nan 8.310 nan 0.000 0.476 50 E N 1.888 122.070 120.200 -0.031 0.000 2.316 50 E HA 0.508 4.858 4.350 0.000 0.000 0.275 50 E C -0.568 176.010 176.600 -0.035 0.000 1.029 50 E CA 0.067 56.457 56.400 -0.017 0.000 0.871 50 E CB 1.030 30.737 29.700 0.011 0.000 1.022 50 E HN 0.432 nan 8.360 nan 0.000 0.418 51 K N 0.772 121.156 120.400 -0.026 0.000 2.469 51 K HA 0.561 4.881 4.320 0.000 0.000 0.254 51 K C -0.776 175.813 176.600 -0.019 0.000 0.939 51 K CA -0.494 55.773 56.287 -0.034 0.000 0.812 51 K CB 2.372 34.854 32.500 -0.030 0.000 1.301 51 K HN 0.406 nan 8.250 nan 0.000 0.433 52 T N 0.378 114.919 114.554 -0.022 0.000 2.786 52 T HA 0.493 4.843 4.350 0.000 0.000 0.316 52 T C -1.926 172.782 174.700 0.012 0.000 1.503 52 T CA -0.570 61.530 62.100 -0.001 0.000 1.019 52 T CB 1.310 70.182 68.868 0.007 0.000 1.415 52 T HN 0.179 nan 8.240 nan 0.000 0.496 53 V N 3.301 123.234 119.914 0.032 0.000 2.656 53 V HA 0.544 4.664 4.120 0.000 0.000 0.307 53 V C -0.408 175.733 176.094 0.079 0.000 1.051 53 V CA -0.931 61.403 62.300 0.055 0.000 0.893 53 V CB 1.845 33.694 31.823 0.044 0.000 0.999 53 V HN 0.747 nan 8.190 nan 0.000 0.426 54 L N 3.694 124.992 121.223 0.125 0.000 2.315 54 L HA 0.354 4.694 4.340 0.000 0.000 0.278 54 L C 0.483 177.457 176.870 0.173 0.000 1.088 54 L CA -0.051 54.882 54.840 0.154 0.000 0.899 54 L CB 0.466 42.658 42.059 0.222 0.000 1.277 54 L HN 0.677 nan 8.230 nan 0.000 0.431 55 T N 2.938 117.541 114.554 0.082 0.000 2.918 55 T HA 0.090 4.440 4.350 0.000 0.000 0.302 55 T C -1.502 173.168 174.700 -0.050 0.000 1.045 55 T CA -0.932 61.195 62.100 0.045 0.000 1.114 55 T CB 1.174 70.046 68.868 0.008 0.000 0.965 55 T HN 0.302 nan 8.240 nan 0.000 0.540 56 P HA -0.050 nan 4.420 nan 0.000 0.223 56 P C 1.226 178.403 177.300 -0.205 0.000 1.144 56 P CA 0.558 63.527 63.100 -0.219 0.000 0.783 56 P CB 0.003 31.693 31.700 -0.018 0.000 0.771 57 A N -0.045 122.706 122.820 -0.115 0.000 1.845 57 A HA -0.155 4.165 4.320 0.000 0.000 0.215 57 A C 1.885 179.396 177.584 -0.121 0.000 1.195 57 A CA 2.421 54.404 52.037 -0.090 0.000 0.616 57 A CB -1.855 17.116 19.000 -0.049 0.000 0.832 57 A HN 0.323 nan 8.150 nan 0.000 0.443 58 T N -3.045 111.434 114.554 -0.125 0.000 3.327 58 T HA 0.272 4.622 4.350 0.000 0.000 0.241 58 T C 0.093 174.675 174.700 -0.195 0.000 0.907 58 T CA 0.160 62.188 62.100 -0.120 0.000 0.931 58 T CB -1.009 67.820 68.868 -0.065 0.000 1.112 58 T HN 0.409 nan 8.240 nan 0.000 0.589 59 N N 3.058 121.566 118.700 -0.320 0.000 2.686 59 N HA -0.239 4.502 4.740 0.000 0.000 0.249 59 N C -0.303 174.966 175.510 -0.401 0.000 1.082 59 N CA 1.298 54.072 53.050 -0.459 0.000 0.725 59 N CB -1.782 36.501 38.487 -0.340 0.000 1.009 59 N HN 0.813 nan 8.380 nan 0.000 0.545 60 H N -3.897 115.121 119.070 -0.086 0.000 2.826 60 H HA -0.205 4.351 4.556 0.000 0.000 0.306 60 H C 0.006 175.292 175.328 -0.069 0.000 1.235 60 H CA 1.182 57.191 56.048 -0.065 0.000 1.150 60 H CB -1.740 27.967 29.762 -0.091 0.000 1.409 60 H HN 0.484 nan 8.280 nan 0.000 0.420 61 M N 0.717 120.325 119.600 0.014 0.000 2.181 61 M HA 0.460 4.940 4.480 0.000 0.000 0.323 61 M C 0.833 177.158 176.300 0.042 0.000 1.004 61 M CA -0.214 55.098 55.300 0.020 0.000 0.941 61 M CB 2.161 34.747 32.600 -0.023 0.000 1.579 61 M HN 0.372 nan 8.290 nan 0.000 0.427 62 G N 2.649 111.494 108.800 0.075 0.000 2.410 62 G HA2 0.436 4.396 3.960 0.000 0.000 0.330 62 G HA3 0.436 4.396 3.960 0.000 0.000 0.330 62 G C -0.827 174.106 174.900 0.056 0.000 1.142 62 G CA -0.532 44.612 45.100 0.074 0.000 0.902 62 G HN 0.697 nan 8.290 nan 0.000 0.491 63 N N 0.272 118.996 118.700 0.040 0.000 2.417 63 N HA 0.377 5.117 4.740 0.000 0.000 0.274 63 N C -1.187 174.344 175.510 0.036 0.000 0.987 63 N CA -0.271 52.797 53.050 0.030 0.000 0.912 63 N CB 2.438 40.933 38.487 0.014 0.000 1.177 63 N HN 0.117 nan 8.380 nan 0.000 0.490 64 V N 2.477 122.418 119.914 0.044 0.000 2.357 64 V HA 0.382 4.502 4.120 0.000 0.000 0.284 64 V C -0.119 175.994 176.094 0.032 0.000 1.018 64 V CA -0.440 61.908 62.300 0.079 0.000 0.841 64 V CB 1.430 33.339 31.823 0.144 0.000 0.991 64 V HN 0.722 nan 8.190 nan 0.000 0.437 65 T N 3.322 117.901 114.554 0.041 0.000 2.840 65 T HA 0.824 5.174 4.350 0.000 0.000 0.287 65 T C -0.860 173.875 174.700 0.058 0.000 0.991 65 T CA -0.551 61.524 62.100 -0.042 0.000 0.964 65 T CB 1.219 70.067 68.868 -0.033 0.000 0.954 65 T HN 0.578 nan 8.240 nan 0.000 0.438 66 F N -0.855 119.079 119.950 -0.026 0.000 2.668 66 F HA 0.829 5.356 4.527 0.000 0.000 0.309 66 F C -1.286 174.496 175.800 -0.030 0.000 1.117 66 F CA -1.226 56.755 58.000 -0.032 0.000 0.951 66 F CB 1.289 40.264 39.000 -0.041 0.000 1.323 66 F HN 0.456 nan 8.300 nan 0.000 0.451 67 T N 3.572 118.292 114.554 0.277 0.000 2.930 67 T HA 0.496 4.846 4.350 0.000 0.000 0.313 67 T C -0.388 174.418 174.700 0.177 0.000 1.019 67 T CA -0.295 61.901 62.100 0.159 0.000 1.004 67 T CB 0.737 69.635 68.868 0.050 0.000 0.987 67 T HN 0.640 nan 8.240 nan 0.000 0.456 68 I N 5.253 125.945 120.570 0.205 0.000 2.436 68 I HA 0.199 4.369 4.170 0.000 0.000 0.289 68 I C -1.839 174.308 176.117 0.051 0.000 1.083 68 I CA -1.912 59.452 61.300 0.106 0.000 1.372 68 I CB 0.531 38.597 38.000 0.110 0.000 1.408 68 I HN 0.299 nan 8.210 nan 0.000 0.516 69 P HA 0.116 nan 4.420 nan 0.000 0.282 69 P C -0.643 176.663 177.300 0.009 0.000 1.286 69 P CA -0.456 62.652 63.100 0.013 0.000 0.777 69 P CB 0.595 32.299 31.700 0.007 0.000 1.184 70 A N 0.424 123.246 122.820 0.004 0.000 3.165 70 A HA 0.300 4.620 4.320 0.000 0.000 0.331 70 A C -0.087 177.501 177.584 0.006 0.000 1.034 70 A CA -0.373 51.667 52.037 0.004 0.000 0.906 70 A CB -1.047 17.954 19.000 0.000 0.000 1.054 70 A HN 0.329 nan 8.150 nan 0.000 0.484 71 N N 0.762 119.467 118.700 0.007 0.000 2.354 71 N HA 0.121 4.861 4.740 0.000 0.000 0.246 71 N C 0.200 175.715 175.510 0.009 0.000 1.285 71 N CA -0.065 52.990 53.050 0.008 0.000 0.925 71 N CB 0.363 38.855 38.487 0.008 0.000 1.174 71 N HN 0.467 nan 8.380 nan 0.000 0.478 72 R N 1.766 122.271 120.500 0.009 0.000 2.543 72 R HA -0.068 4.272 4.340 0.000 0.000 0.348 72 R C 0.536 176.842 176.300 0.010 0.000 0.981 72 R CA 0.185 56.291 56.100 0.009 0.000 1.019 72 R CB -0.523 29.782 30.300 0.008 0.000 0.944 72 R HN 0.649 nan 8.270 nan 0.000 0.425 79 G N 1.090 109.880 108.800 -0.017 0.000 2.234 79 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 79 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 79 G C -0.271 174.624 174.900 -0.009 0.000 0.987 79 G CA 0.823 45.914 45.100 -0.014 0.000 0.625 79 G HN 0.337 nan 8.290 nan 0.000 0.532 80 R N 0.786 121.282 120.500 -0.006 0.000 2.360 80 R HA 0.341 4.681 4.340 0.000 0.000 0.318 80 R C -0.472 175.809 176.300 -0.032 0.000 0.950 80 R CA -0.957 55.147 56.100 0.007 0.000 0.837 80 R CB 0.625 30.949 30.300 0.039 0.000 1.165 80 R HN 0.196 nan 8.270 nan 0.000 0.458 81 N N 3.075 121.725 118.700 -0.083 0.000 2.219 81 N HA -0.086 4.654 4.740 0.000 0.000 0.263 81 N C -0.448 174.845 175.510 -0.363 0.000 1.269 81 N CA 0.850 53.735 53.050 -0.275 0.000 0.831 81 N CB 0.454 38.686 38.487 -0.425 0.000 1.059 81 N HN 0.319 nan 8.380 nan 0.000 0.475 82 K N 1.604 121.801 120.400 -0.339 0.000 2.174 82 K HA 0.410 4.730 4.320 0.000 0.000 0.275 82 K C -0.392 175.961 176.600 -0.412 0.000 1.015 82 K CA -0.163 56.000 56.287 -0.208 0.000 0.933 82 K CB 0.789 33.241 32.500 -0.079 0.000 1.025 82 K HN 0.306 nan 8.250 nan 0.000 0.463 83 F N 0.091 120.077 119.950 0.060 0.000 2.679 83 F HA 0.538 5.065 4.527 0.000 0.000 0.341 83 F C -0.185 175.633 175.800 0.030 0.000 1.095 83 F CA -0.924 57.064 58.000 -0.020 0.000 1.004 83 F CB 1.587 40.465 39.000 -0.202 0.000 1.388 83 F HN 0.190 nan 8.300 nan 0.000 0.505 84 V N -2.158 117.879 119.914 0.205 0.000 3.087 84 V HA 0.714 4.834 4.120 0.000 0.000 0.306 84 V C -1.090 175.041 176.094 0.061 0.000 1.187 84 V CA -0.935 61.453 62.300 0.146 0.000 0.999 84 V CB 1.336 33.204 31.823 0.075 0.000 1.049 84 V HN 0.691 nan 8.190 nan 0.000 0.431 85 T N 2.095 116.723 114.554 0.122 0.000 2.770 85 T HA 0.632 4.982 4.350 0.000 0.000 0.297 85 T C -0.113 174.618 174.700 0.051 0.000 0.997 85 T CA -0.419 61.735 62.100 0.090 0.000 0.949 85 T CB 1.070 70.065 68.868 0.212 0.000 0.941 85 T HN 0.748 nan 8.240 nan 0.000 0.457 86 V N 3.436 123.343 119.914 -0.013 0.000 2.686 86 V HA 0.442 4.562 4.120 0.000 0.000 0.295 86 V C 0.206 176.279 176.094 -0.034 0.000 1.057 86 V CA -0.685 61.574 62.300 -0.069 0.000 1.012 86 V CB 1.328 33.100 31.823 -0.085 0.000 1.006 86 V HN 0.850 nan 8.190 nan 0.000 0.477 87 Q N 1.888 121.651 119.800 -0.062 0.000 2.350 87 Q HA 0.652 4.992 4.340 0.000 0.000 0.255 87 Q C -0.998 174.933 176.000 -0.116 0.000 0.951 87 Q CA -0.393 55.386 55.803 -0.041 0.000 0.751 87 Q CB 1.806 30.568 28.738 0.039 0.000 1.296 87 Q HN 0.984 nan 8.270 nan 0.000 0.453 88 A N 2.555 125.281 122.820 -0.158 0.000 2.287 88 A HA 0.655 4.975 4.320 0.000 0.000 0.317 88 A C -0.564 176.752 177.584 -0.446 0.000 1.220 88 A CA -0.428 51.409 52.037 -0.335 0.000 0.835 88 A CB 1.074 19.838 19.000 -0.393 0.000 1.180 88 A HN 0.547 nan 8.150 nan 0.000 0.500 89 T N 3.271 117.553 114.554 -0.454 0.000 2.874 89 T HA 0.447 4.797 4.350 0.000 0.000 0.321 89 T C -0.647 173.791 174.700 -0.436 0.000 1.075 89 T CA 0.064 61.959 62.100 -0.342 0.000 0.966 89 T CB -0.480 68.284 68.868 -0.173 0.000 1.001 89 T HN 0.360 nan 8.240 nan 0.000 0.476 90 F N 2.667 122.441 119.950 -0.294 0.000 2.444 90 F HA 0.487 5.014 4.527 0.000 0.000 0.360 90 F C 1.658 177.270 175.800 -0.313 0.000 1.106 90 F CA -0.049 57.725 58.000 -0.377 0.000 1.170 90 F CB 0.083 38.581 39.000 -0.837 0.000 1.113 90 F HN 0.849 nan 8.300 nan 0.000 0.521 91 G N 2.950 111.734 108.800 -0.027 0.000 2.686 91 G HA2 -0.391 3.569 3.960 0.000 0.000 0.329 91 G HA3 -0.391 3.569 3.960 0.000 0.000 0.329 91 G C 1.055 175.934 174.900 -0.035 0.000 1.187 91 G CA 0.979 46.069 45.100 -0.018 0.000 0.965 91 G HN 0.561 nan 8.290 nan 0.000 0.549 92 T N 1.002 115.540 114.554 -0.027 0.000 3.018 92 T HA 0.271 4.621 4.350 0.000 0.000 0.246 92 T C 1.061 175.744 174.700 -0.028 0.000 1.026 92 T CA 1.151 63.237 62.100 -0.023 0.000 1.081 92 T CB 0.104 68.969 68.868 -0.004 0.000 0.970 92 T HN 0.635 nan 8.240 nan 0.000 0.475 93 Q N 2.324 122.101 119.800 -0.038 0.000 2.349 93 Q HA 0.179 4.519 4.340 0.000 0.000 0.287 93 Q C -0.859 175.134 176.000 -0.011 0.000 1.044 93 Q CA 0.266 56.054 55.803 -0.024 0.000 0.918 93 Q CB 0.510 29.209 28.738 -0.065 0.000 1.242 93 Q HN 0.176 nan 8.270 nan 0.000 0.405 94 V N 6.052 125.980 119.914 0.023 0.000 2.398 94 V HA 0.507 4.628 4.120 0.000 0.000 0.282 94 V C -1.251 174.873 176.094 0.050 0.000 1.014 94 V CA -0.579 61.728 62.300 0.012 0.000 0.838 94 V CB 1.627 33.444 31.823 -0.011 0.000 1.018 94 V HN 0.620 nan 8.190 nan 0.000 0.432 95 V N 6.777 126.743 119.914 0.087 0.000 2.612 95 V HA 0.754 4.874 4.120 0.000 0.000 0.301 95 V C -0.150 175.968 176.094 0.041 0.000 1.046 95 V CA -0.336 62.025 62.300 0.102 0.000 0.946 95 V CB 1.874 33.823 31.823 0.209 0.000 1.003 95 V HN 1.037 nan 8.190 nan 0.000 0.459 96 E N 2.434 122.652 120.200 0.031 0.000 2.407 96 E HA 0.797 5.147 4.350 0.000 0.000 0.279 96 E C -1.405 175.197 176.600 0.003 0.000 1.012 96 E CA -1.233 55.173 56.400 0.010 0.000 0.800 96 E CB 2.569 32.279 29.700 0.018 0.000 1.276 96 E HN 0.417 nan 8.360 nan 0.000 0.452 97 K N 0.620 121.014 120.400 -0.011 0.000 2.508 97 K HA 0.495 4.815 4.320 0.000 0.000 0.260 97 K C -1.998 174.569 176.600 -0.056 0.000 0.949 97 K CA -0.853 55.417 56.287 -0.029 0.000 0.834 97 K CB 2.561 35.046 32.500 -0.025 0.000 1.365 97 K HN 0.410 nan 8.250 nan 0.000 0.437 98 V N 3.858 123.703 119.914 -0.115 0.000 2.275 98 V HA 0.398 4.518 4.120 0.000 0.000 0.272 98 V C -0.451 175.529 176.094 -0.191 0.000 1.028 98 V CA -0.759 61.401 62.300 -0.232 0.000 0.810 98 V CB 0.836 32.390 31.823 -0.448 0.000 1.043 98 V HN 0.544 nan 8.190 nan 0.000 0.453 99 V N 4.772 124.659 119.914 -0.044 0.000 3.096 99 V HA 0.528 4.648 4.120 0.000 0.000 0.319 99 V C -0.059 176.229 176.094 0.324 0.000 1.082 99 V CA -0.960 61.391 62.300 0.085 0.000 1.022 99 V CB 2.098 33.966 31.823 0.075 0.000 1.103 99 V HN 0.628 nan 8.190 nan 0.000 0.455 100 L N 1.880 123.285 121.223 0.303 0.000 2.334 100 L HA 0.660 5.000 4.340 0.000 0.000 0.277 100 L C -0.376 176.487 176.870 -0.011 0.000 1.075 100 L CA 0.456 55.384 54.840 0.146 0.000 0.804 100 L CB 1.396 43.517 42.059 0.104 0.000 1.174 100 L HN 0.443 nan 8.230 nan 0.000 0.438 101 V N 3.352 123.188 119.914 -0.130 0.000 2.864 101 V HA 0.675 4.795 4.120 0.000 0.000 0.314 101 V C -0.388 175.638 176.094 -0.113 0.000 1.073 101 V CA -0.583 61.668 62.300 -0.081 0.000 0.956 101 V CB 2.060 33.860 31.823 -0.039 0.000 1.023 101 V HN 0.870 nan 8.190 nan 0.000 0.435 102 S N 1.771 117.427 115.700 -0.074 0.000 2.536 102 S HA 0.572 5.042 4.470 0.000 0.000 0.298 102 S C 0.521 175.103 174.600 -0.031 0.000 1.083 102 S CA -0.705 57.459 58.200 -0.060 0.000 0.995 102 S CB 1.449 64.620 63.200 -0.049 0.000 1.058 102 S HN 0.598 nan 8.310 nan 0.000 0.488 103 L N 2.505 123.719 121.223 -0.015 0.000 2.395 103 L HA 0.119 4.459 4.340 0.000 0.000 0.218 103 L C 1.043 177.946 176.870 0.055 0.000 1.130 103 L CA 0.462 55.309 54.840 0.011 0.000 0.826 103 L CB -0.322 41.741 42.059 0.007 0.000 0.941 103 L HN 0.699 nan 8.230 nan 0.000 0.451 104 Q N 0.626 120.472 119.800 0.077 0.000 2.388 104 Q HA -0.070 4.270 4.340 0.000 0.000 0.302 104 Q C 1.136 177.269 176.000 0.223 0.000 1.149 104 Q CA -0.156 55.749 55.803 0.169 0.000 1.014 104 Q CB 0.656 29.510 28.738 0.194 0.000 1.072 104 Q HN 0.295 nan 8.270 nan 0.000 0.395 105 S N 1.608 117.428 115.700 0.199 0.000 2.335 105 S HA 0.003 4.473 4.470 0.000 0.000 0.216 105 S C 0.883 175.533 174.600 0.082 0.000 1.032 105 S CA 0.817 59.055 58.200 0.063 0.000 1.000 105 S CB 0.099 63.183 63.200 -0.193 0.000 0.928 105 S HN 0.861 nan 8.310 nan 0.000 0.434 106 G N -0.862 107.930 108.800 -0.013 0.000 2.929 106 G HA2 0.519 4.479 3.960 0.000 0.000 0.123 106 G HA3 0.519 4.479 3.960 0.000 0.000 0.123 106 G C -1.741 172.813 174.900 -0.577 0.000 1.212 106 G CA -0.611 44.111 45.100 -0.630 0.000 1.238 106 G HN 0.220 nan 8.290 nan 0.000 0.617 107 Y N -0.570 119.669 120.300 -0.101 0.000 2.630 107 Y HA 0.860 5.411 4.550 0.000 0.000 0.337 107 Y C 0.016 175.390 175.900 -0.876 0.000 1.051 107 Y CA -1.125 56.717 58.100 -0.429 0.000 1.121 107 Y CB 2.021 40.296 38.460 -0.308 0.000 1.299 107 Y HN 0.319 nan 8.280 nan 0.000 0.498 108 L N 1.937 122.237 121.223 -1.539 0.000 2.464 108 L HA 0.538 4.878 4.340 0.000 0.000 0.266 108 L C -1.725 174.537 176.870 -1.014 0.000 0.965 108 L CA -0.506 53.617 54.840 -1.195 0.000 0.833 108 L CB 1.965 43.168 42.059 -1.428 0.000 1.296 108 L HN 0.479 nan 8.230 nan 0.000 0.405 109 F N 2.977 122.879 119.950 -0.080 0.000 2.551 109 F HA 0.677 5.204 4.527 0.000 0.000 0.316 109 F C -0.091 175.809 175.800 0.165 0.000 1.089 109 F CA -0.720 57.329 58.000 0.081 0.000 0.915 109 F CB 1.939 40.996 39.000 0.095 0.000 1.186 109 F HN 0.115 nan 8.300 nan 0.000 0.456 110 I N 1.650 122.416 120.570 0.327 0.000 2.569 110 I HA 0.472 4.642 4.170 0.000 0.000 0.296 110 I C -0.869 175.420 176.117 0.287 0.000 1.028 110 I CA -0.755 60.696 61.300 0.251 0.000 1.082 110 I CB 2.095 40.207 38.000 0.186 0.000 1.264 110 I HN 0.559 nan 8.210 nan 0.000 0.429 111 Q N 3.906 123.861 119.800 0.257 0.000 2.323 111 Q HA 0.578 4.918 4.340 0.000 0.000 0.271 111 Q C -1.396 174.730 176.000 0.211 0.000 1.048 111 Q CA -0.636 55.322 55.803 0.258 0.000 0.792 111 Q CB 2.435 31.382 28.738 0.347 0.000 1.280 111 Q HN 0.834 nan 8.270 nan 0.000 0.441 112 T N -0.339 114.336 114.554 0.201 0.000 2.885 112 T HA 0.249 4.599 4.350 0.000 0.000 0.285 112 T C 0.746 175.569 174.700 0.205 0.000 1.019 112 T CA -0.558 61.658 62.100 0.194 0.000 1.010 112 T CB 1.233 70.211 68.868 0.183 0.000 1.022 112 T HN 0.666 nan 8.240 nan 0.000 0.466 113 D N 1.991 122.525 120.400 0.223 0.000 2.097 113 D HA -0.095 4.545 4.640 0.000 0.000 0.195 113 D C 0.473 176.811 176.300 0.063 0.000 0.989 113 D CA 1.209 55.301 54.000 0.153 0.000 0.827 113 D CB 0.041 40.929 40.800 0.146 0.000 0.966 113 D HN 0.631 nan 8.370 nan 0.000 0.456 114 K N -0.679 119.699 120.400 -0.035 0.000 2.280 114 K HA 0.405 4.725 4.320 0.000 0.000 0.234 114 K C 0.895 177.336 176.600 -0.265 0.000 1.028 114 K CA -0.312 55.756 56.287 -0.366 0.000 0.882 114 K CB 1.313 33.363 32.500 -0.750 0.000 1.194 114 K HN -0.018 nan 8.250 nan 0.000 0.458 115 T N -1.971 112.410 114.554 -0.288 0.000 3.060 115 T HA 0.266 4.616 4.350 0.000 0.000 0.249 115 T C 0.612 175.285 174.700 -0.045 0.000 1.079 115 T CA -0.070 61.996 62.100 -0.056 0.000 1.013 115 T CB -0.219 68.629 68.868 -0.035 0.000 0.975 115 T HN 0.537 nan 8.240 nan 0.000 0.518 116 I N -0.012 120.364 120.570 -0.322 0.000 2.731 116 I HA 0.500 4.670 4.170 0.000 0.000 0.289 116 I C -2.135 173.770 176.117 -0.355 0.000 1.399 116 I CA -1.229 59.973 61.300 -0.163 0.000 1.048 116 I CB 1.649 39.508 38.000 -0.235 0.000 1.345 116 I HN 0.024 nan 8.210 nan 0.000 0.425 117 Y N 3.529 123.971 120.300 0.237 0.000 2.602 117 Y HA 0.663 5.213 4.550 0.001 0.000 0.342 117 Y C 0.282 176.305 175.900 0.205 0.000 1.029 117 Y CA -0.716 57.513 58.100 0.214 0.000 1.080 117 Y CB 2.228 40.733 38.460 0.074 0.000 1.284 117 Y HN 0.544 nan 8.280 nan 0.000 0.485 118 T N -0.511 114.120 114.554 0.128 0.000 2.929 118 T HA 0.445 4.796 4.350 0.000 0.000 0.284 118 T C -2.941 171.719 174.700 -0.068 0.000 1.014 118 T CA -2.706 59.319 62.100 -0.126 0.000 1.051 118 T CB 1.496 70.109 68.868 -0.424 0.000 1.028 118 T HN 0.253 nan 8.240 nan 0.000 0.485 119 P HA 0.163 nan 4.420 nan 0.000 0.258 119 P C 1.019 178.248 177.300 -0.119 0.000 1.172 119 P CA 1.053 64.094 63.100 -0.098 0.000 0.762 119 P CB -0.006 31.651 31.700 -0.070 0.000 0.764 120 G N 2.357 111.064 108.800 -0.155 0.000 2.176 120 G HA2 -0.200 3.760 3.960 0.000 0.000 0.232 120 G HA3 -0.200 3.760 3.960 0.000 0.000 0.232 120 G C 0.083 174.902 174.900 -0.135 0.000 0.986 120 G CA 0.152 45.161 45.100 -0.153 0.000 0.643 120 G HN 0.824 nan 8.290 nan 0.000 0.522 121 S N 0.493 116.128 115.700 -0.109 0.000 2.429 121 S HA 0.685 5.155 4.470 0.000 0.000 0.302 121 S C 0.126 174.667 174.600 -0.097 0.000 1.115 121 S CA 0.172 58.342 58.200 -0.049 0.000 1.095 121 S CB 1.999 65.230 63.200 0.052 0.000 0.987 121 S HN 0.462 nan 8.310 nan 0.000 0.474 122 T N 3.028 117.513 114.554 -0.114 0.000 2.930 122 T HA 0.288 4.638 4.350 0.000 0.000 0.306 122 T C -0.046 174.518 174.700 -0.225 0.000 1.045 122 T CA -0.239 61.752 62.100 -0.181 0.000 1.134 122 T CB 0.439 69.234 68.868 -0.121 0.000 0.961 122 T HN 0.600 nan 8.240 nan 0.000 0.545 123 V N 5.258 124.941 119.914 -0.385 0.000 2.347 123 V HA 0.322 4.442 4.120 0.000 0.000 0.280 123 V C 0.228 176.229 176.094 -0.155 0.000 1.021 123 V CA -0.796 61.106 62.300 -0.664 0.000 0.847 123 V CB 0.944 31.999 31.823 -1.281 0.000 0.990 123 V HN 0.672 nan 8.190 nan 0.000 0.444 124 L N 6.624 127.839 121.223 -0.014 0.000 2.349 124 L HA 0.559 4.899 4.340 0.000 0.000 0.275 124 L C -0.492 176.488 176.870 0.183 0.000 1.115 124 L CA -0.333 54.557 54.840 0.083 0.000 0.820 124 L CB 0.472 42.564 42.059 0.054 0.000 1.135 124 L HN 0.808 nan 8.230 nan 0.000 0.445 125 Y N 0.779 121.028 120.300 -0.085 0.000 2.513 125 Y HA 0.670 5.220 4.550 0.000 0.000 0.340 125 Y C -0.953 174.878 175.900 -0.115 0.000 1.055 125 Y CA -1.363 56.688 58.100 -0.081 0.000 1.020 125 Y CB 1.437 39.842 38.460 -0.093 0.000 1.301 125 Y HN 0.422 nan 8.280 nan 0.000 0.453 126 R N 2.972 123.408 120.500 -0.107 0.000 2.589 126 R HA 0.639 4.980 4.340 0.000 0.000 0.293 126 R C -1.653 174.446 176.300 -0.335 0.000 0.963 126 R CA -1.070 54.811 56.100 -0.365 0.000 0.905 126 R CB 2.500 32.462 30.300 -0.563 0.000 1.144 126 R HN 0.713 nan 8.270 nan 0.000 0.459 127 I N 3.377 123.724 120.570 -0.371 0.000 2.354 127 I HA 0.230 4.400 4.170 0.000 0.000 0.286 127 I C -0.719 175.226 176.117 -0.287 0.000 1.007 127 I CA -0.210 60.960 61.300 -0.216 0.000 1.167 127 I CB 0.658 38.582 38.000 -0.128 0.000 1.320 127 I HN 0.371 nan 8.210 nan 0.000 0.458 128 F N 4.141 124.122 119.950 0.052 0.000 2.410 128 F HA 0.421 4.948 4.527 0.000 0.000 0.348 128 F C 0.969 176.815 175.800 0.078 0.000 1.106 128 F CA -0.553 57.491 58.000 0.073 0.000 1.163 128 F CB 1.081 40.142 39.000 0.101 0.000 1.129 128 F HN 0.359 nan 8.300 nan 0.000 0.516 129 T N 1.764 116.446 114.554 0.214 0.000 2.791 129 T HA 0.750 5.100 4.350 0.000 0.000 0.288 129 T C -0.767 174.075 174.700 0.236 0.000 0.999 129 T CA -0.675 61.535 62.100 0.184 0.000 0.952 129 T CB 0.826 69.803 68.868 0.182 0.000 0.938 129 T HN 0.659 nan 8.240 nan 0.000 0.444 130 V N 1.116 121.190 119.914 0.267 0.000 3.147 130 V HA 0.759 4.879 4.120 0.000 0.000 0.306 130 V C -0.500 175.669 176.094 0.124 0.000 1.209 130 V CA -1.461 60.961 62.300 0.204 0.000 1.023 130 V CB 1.740 33.706 31.823 0.238 0.000 1.059 130 V HN 1.048 nan 8.190 nan 0.000 0.435 131 N N 0.503 119.234 118.700 0.052 0.000 2.322 131 N HA 0.217 4.957 4.740 0.000 0.000 0.270 131 N C 0.787 176.263 175.510 -0.057 0.000 1.286 131 N CA 0.053 53.089 53.050 -0.024 0.000 0.948 131 N CB -0.361 38.136 38.487 0.018 0.000 1.164 131 N HN 0.820 nan 8.380 nan 0.000 0.551 132 H N -0.999 118.017 119.070 -0.090 0.000 2.561 132 H HA 0.060 4.616 4.556 0.000 0.000 0.278 132 H C 0.237 175.648 175.328 0.138 0.000 1.014 132 H CA 0.797 56.800 56.048 -0.076 0.000 1.211 132 H CB 0.386 30.090 29.762 -0.096 0.000 1.365 132 H HN 0.543 nan 8.280 nan 0.000 0.594 133 K N 0.635 121.153 120.400 0.197 0.000 2.387 133 K HA 0.135 4.455 4.320 0.000 0.000 0.198 133 K C 0.595 177.315 176.600 0.201 0.000 1.022 133 K CA -0.092 56.304 56.287 0.181 0.000 1.128 133 K CB 0.835 33.399 32.500 0.106 0.000 0.853 133 K HN 0.083 nan 8.250 nan 0.000 0.523 134 L N 0.658 122.029 121.223 0.247 0.000 4.232 134 L HA -0.251 4.089 4.340 0.000 0.000 0.415 134 L C -0.428 176.521 176.870 0.131 0.000 1.168 134 L CA 0.312 55.285 54.840 0.221 0.000 0.966 134 L CB -1.628 40.535 42.059 0.174 0.000 2.052 134 L HN 0.265 nan 8.230 nan 0.000 0.887 135 L N 1.567 122.859 121.223 0.115 0.000 2.357 135 L HA 0.435 4.775 4.340 0.000 0.000 0.273 135 L C -1.598 175.320 176.870 0.081 0.000 1.080 135 L CA -1.745 53.143 54.840 0.080 0.000 0.803 135 L CB 0.876 42.972 42.059 0.062 0.000 1.174 135 L HN -0.206 nan 8.230 nan 0.000 0.443 136 P HA 0.065 nan 4.420 nan 0.000 0.271 136 P C -0.631 176.703 177.300 0.057 0.000 1.233 136 P CA 0.187 63.334 63.100 0.079 0.000 0.764 136 P CB 1.633 33.374 31.700 0.068 0.000 0.825 137 V N 3.494 123.443 119.914 0.058 0.000 3.166 137 V HA 0.832 4.952 4.120 0.000 0.000 0.317 137 V C 0.190 176.299 176.094 0.025 0.000 1.136 137 V CA -0.715 61.597 62.300 0.019 0.000 1.035 137 V CB 2.246 34.054 31.823 -0.024 0.000 1.110 137 V HN 0.678 nan 8.190 nan 0.000 0.450 138 G N 3.107 111.905 108.800 -0.003 0.000 2.728 138 G HA2 0.662 4.622 3.960 0.000 0.000 0.296 138 G HA3 0.662 4.622 3.960 0.000 0.000 0.296 138 G C -0.645 174.245 174.900 -0.016 0.000 1.401 138 G CA -0.551 44.554 45.100 0.007 0.000 1.007 138 G HN 0.565 nan 8.290 nan 0.000 0.527 139 R N 0.943 121.445 120.500 0.004 0.000 3.150 139 R HA 0.664 5.004 4.340 0.000 0.000 0.236 139 R C -0.683 175.658 176.300 0.069 0.000 1.469 139 R CA -0.727 55.368 56.100 -0.008 0.000 1.045 139 R CB 0.671 30.887 30.300 -0.140 0.000 1.481 139 R HN 0.379 nan 8.270 nan 0.000 0.506 140 T N 1.176 115.787 114.554 0.094 0.000 2.824 140 T HA 0.488 4.838 4.350 0.000 0.000 0.280 140 T C -0.490 174.300 174.700 0.150 0.000 0.995 140 T CA -0.495 61.662 62.100 0.095 0.000 1.009 140 T CB 1.599 70.507 68.868 0.067 0.000 0.955 140 T HN 0.134 nan 8.240 nan 0.000 0.452 141 V N 4.593 124.549 119.914 0.070 0.000 2.735 141 V HA 0.565 4.685 4.120 0.000 0.000 0.310 141 V C -0.372 175.657 176.094 -0.109 0.000 1.061 141 V CA -1.002 61.294 62.300 -0.007 0.000 0.913 141 V CB 2.040 33.822 31.823 -0.068 0.000 1.005 141 V HN 0.791 nan 8.190 nan 0.000 0.428 142 M N 3.823 123.252 119.600 -0.285 0.000 2.404 142 M HA 0.691 5.171 4.480 0.000 0.000 0.338 142 M C -1.046 175.007 176.300 -0.411 0.000 1.150 142 M CA -0.753 54.321 55.300 -0.378 0.000 1.016 142 M CB 1.714 33.959 32.600 -0.592 0.000 1.672 142 M HN 0.322 nan 8.290 nan 0.000 0.448 143 V N 3.062 122.838 119.914 -0.230 0.000 2.524 143 V HA 0.393 4.513 4.120 0.000 0.000 0.297 143 V C -0.334 175.697 176.094 -0.106 0.000 1.035 143 V CA -0.873 61.340 62.300 -0.145 0.000 0.867 143 V CB 1.937 33.752 31.823 -0.014 0.000 1.004 143 V HN 0.841 nan 8.190 nan 0.000 0.426 144 N N 4.182 122.813 118.700 -0.116 0.000 2.466 144 N HA 0.644 5.384 4.740 0.000 0.000 0.294 144 N C -1.035 174.386 175.510 -0.149 0.000 1.129 144 N CA -0.596 52.391 53.050 -0.104 0.000 0.931 144 N CB 2.668 41.114 38.487 -0.070 0.000 1.193 144 N HN 0.518 nan 8.380 nan 0.000 0.500 145 I N 1.593 122.037 120.570 -0.209 0.000 2.502 145 I HA 0.196 4.366 4.170 0.000 0.000 0.276 145 I C -0.142 175.837 176.117 -0.230 0.000 1.057 145 I CA -0.391 60.735 61.300 -0.291 0.000 1.163 145 I CB 0.910 38.523 38.000 -0.644 0.000 1.288 145 I HN 0.273 nan 8.210 nan 0.000 0.479 146 E N 4.914 124.994 120.200 -0.200 0.000 2.338 146 E HA 0.104 4.454 4.350 0.000 0.000 0.272 146 E C -0.127 176.153 176.600 -0.534 0.000 1.029 146 E CA -0.472 55.761 56.400 -0.278 0.000 0.872 146 E CB 1.035 30.597 29.700 -0.230 0.000 1.015 146 E HN 0.525 nan 8.360 nan 0.000 0.417 147 N N 3.083 121.295 118.700 -0.813 0.000 2.364 147 N HA 0.113 4.853 4.740 0.000 0.000 0.264 147 N C -2.250 172.613 175.510 -1.078 0.000 1.263 147 N CA -1.769 50.270 53.050 -1.685 0.000 0.959 147 N CB -0.022 37.660 38.487 -1.341 0.000 1.204 147 N HN 0.036 nan 8.380 nan 0.000 0.550 148 P HA 0.036 nan 4.420 nan 0.000 0.242 148 P C -0.181 176.920 177.300 -0.331 0.000 1.197 148 P CA 0.927 63.692 63.100 -0.559 0.000 0.765 148 P CB -0.084 31.393 31.700 -0.372 0.000 0.936 149 E N -1.342 118.663 120.200 -0.325 0.000 2.499 149 E HA 0.347 4.697 4.350 0.000 0.000 0.199 149 E C 0.962 177.445 176.600 -0.194 0.000 1.016 149 E CA 0.159 56.436 56.400 -0.204 0.000 0.933 149 E CB -0.408 29.198 29.700 -0.156 0.000 1.050 149 E HN 0.070 nan 8.360 nan 0.000 0.462 150 G N 1.813 110.466 108.800 -0.246 0.000 2.179 150 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 150 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 150 G C 0.183 174.977 174.900 -0.177 0.000 0.977 150 G CA -0.024 44.959 45.100 -0.194 0.000 0.641 150 G HN 0.304 nan 8.290 nan 0.000 0.533 151 I N 1.639 122.087 120.570 -0.203 0.000 2.297 151 I HA 0.275 4.446 4.170 0.000 0.000 0.291 151 I C -2.070 173.959 176.117 -0.147 0.000 1.033 151 I CA -2.950 58.263 61.300 -0.145 0.000 1.253 151 I CB 0.487 38.419 38.000 -0.114 0.000 1.396 151 I HN -0.179 nan 8.210 nan 0.000 0.476 152 P HA -0.091 nan 4.420 nan 0.000 0.255 152 P C 1.076 178.343 177.300 -0.056 0.000 1.161 152 P CA 0.466 63.512 63.100 -0.089 0.000 0.768 152 P CB 0.344 32.015 31.700 -0.048 0.000 0.746 153 V N 1.152 121.034 119.914 -0.053 0.000 3.621 153 V HA 0.330 4.450 4.120 0.000 0.000 0.285 153 V C 0.453 176.597 176.094 0.084 0.000 1.346 153 V CA 0.571 62.907 62.300 0.060 0.000 1.104 153 V CB -0.534 31.414 31.823 0.209 0.000 0.913 153 V HN 0.444 nan 8.190 nan 0.000 0.432 154 K N 1.404 121.791 120.400 -0.021 0.000 2.622 154 K HA 0.345 4.665 4.320 0.000 0.000 0.263 154 K C -2.001 174.572 176.600 -0.046 0.000 0.947 154 K CA -0.351 55.939 56.287 0.005 0.000 0.885 154 K CB 1.827 34.362 32.500 0.058 0.000 1.362 154 K HN 0.477 nan 8.250 nan 0.000 0.413 155 Q N 2.698 122.497 119.800 -0.001 0.000 2.389 155 Q HA 0.534 4.874 4.340 0.000 0.000 0.277 155 Q C -1.393 174.613 176.000 0.010 0.000 1.082 155 Q CA -0.896 54.899 55.803 -0.014 0.000 0.810 155 Q CB 2.787 31.513 28.738 -0.019 0.000 1.374 155 Q HN 0.519 nan 8.270 nan 0.000 0.422 156 D N 0.536 120.936 120.400 -0.001 0.000 2.531 156 D HA 0.499 5.139 4.640 0.000 0.000 0.244 156 D C -1.067 175.218 176.300 -0.025 0.000 1.090 156 D CA -0.594 53.407 54.000 0.002 0.000 0.989 156 D CB 2.054 42.862 40.800 0.014 0.000 1.433 156 D HN 0.406 nan 8.370 nan 0.000 0.492 157 S N 0.338 116.029 115.700 -0.016 0.000 2.659 157 S HA 0.597 5.068 4.470 0.000 0.000 0.312 157 S C -1.466 173.125 174.600 -0.016 0.000 1.114 157 S CA -0.545 57.642 58.200 -0.021 0.000 1.063 157 S CB 0.404 63.603 63.200 -0.002 0.000 0.996 157 S HN 0.276 nan 8.310 nan 0.000 0.478 158 L N 3.249 124.458 121.223 -0.024 0.000 2.370 158 L HA 0.704 5.044 4.340 0.000 0.000 0.266 158 L C -0.148 176.719 176.870 -0.007 0.000 1.002 158 L CA -0.156 54.671 54.840 -0.023 0.000 0.818 158 L CB 2.147 44.178 42.059 -0.046 0.000 1.325 158 L HN 0.601 nan 8.230 nan 0.000 0.418 159 S N -0.062 115.636 115.700 -0.004 0.000 2.549 159 S HA 0.491 4.961 4.470 0.000 0.000 0.297 159 S C 0.513 175.114 174.600 0.003 0.000 1.115 159 S CA 0.012 58.218 58.200 0.010 0.000 1.059 159 S CB 1.100 64.305 63.200 0.009 0.000 1.046 159 S HN 0.711 nan 8.310 nan 0.000 0.506 160 S N 2.891 118.602 115.700 0.018 0.000 2.582 160 S HA 0.212 4.682 4.470 0.000 0.000 0.234 160 S C 0.176 174.783 174.600 0.011 0.000 0.961 160 S CA -0.365 57.843 58.200 0.014 0.000 0.953 160 S CB -0.057 63.167 63.200 0.041 0.000 0.800 160 S HN 0.658 nan 8.310 nan 0.000 0.471 161 Q N 2.641 122.445 119.800 0.006 0.000 2.297 161 Q HA 0.280 4.620 4.340 0.000 0.000 0.267 161 Q C -0.073 175.927 176.000 -0.000 0.000 1.006 161 Q CA 0.582 56.387 55.803 0.003 0.000 0.896 161 Q CB -0.080 28.659 28.738 0.001 0.000 1.186 161 Q HN 0.426 nan 8.270 nan 0.000 0.392 162 N N 2.906 121.606 118.700 0.001 0.000 2.714 162 N HA -0.222 4.518 4.740 0.000 0.000 0.250 162 N C -0.580 174.928 175.510 -0.003 0.000 1.117 162 N CA 1.051 54.101 53.050 -0.000 0.000 0.719 162 N CB -1.100 37.386 38.487 -0.002 0.000 1.081 162 N HN 0.635 nan 8.380 nan 0.000 0.557 163 Q N -0.136 119.663 119.800 -0.002 0.000 2.159 163 Q HA 0.410 4.750 4.340 0.000 0.000 0.217 163 Q C 0.316 176.318 176.000 0.003 0.000 0.818 163 Q CA -0.473 55.326 55.803 -0.008 0.000 1.008 163 Q CB 0.338 29.064 28.738 -0.020 0.000 1.148 163 Q HN 0.334 nan 8.270 nan 0.000 0.491 164 L N -0.275 120.956 121.223 0.014 0.000 4.001 164 L HA -0.267 4.073 4.340 0.000 0.000 0.413 164 L C 0.681 177.581 176.870 0.050 0.000 1.185 164 L CA 1.520 56.376 54.840 0.027 0.000 0.963 164 L CB -1.377 40.694 42.059 0.020 0.000 1.976 164 L HN 0.474 nan 8.230 nan 0.000 0.939 165 G N -2.160 106.670 108.800 0.049 0.000 2.136 165 G HA2 -0.191 3.769 3.960 0.000 0.000 0.242 165 G HA3 -0.191 3.769 3.960 0.000 0.000 0.242 165 G C 0.110 175.054 174.900 0.074 0.000 0.989 165 G CA 0.111 45.260 45.100 0.081 0.000 0.682 165 G HN 1.117 nan 8.290 nan 0.000 0.522 166 V N 0.930 120.847 119.914 0.003 0.000 2.409 166 V HA 0.577 4.697 4.120 0.000 0.000 0.290 166 V C 0.228 176.228 176.094 -0.157 0.000 1.017 166 V CA -0.719 61.517 62.300 -0.106 0.000 0.841 166 V CB 1.696 33.489 31.823 -0.051 0.000 1.003 166 V HN 0.285 nan 8.190 nan 0.000 0.426 167 L N 7.159 128.244 121.223 -0.230 0.000 2.283 167 L HA 0.461 4.802 4.340 0.000 0.000 0.281 167 L C -2.415 174.282 176.870 -0.288 0.000 1.033 167 L CA -1.526 53.187 54.840 -0.211 0.000 0.848 167 L CB 1.388 43.341 42.059 -0.177 0.000 1.226 167 L HN 0.381 nan 8.230 nan 0.000 0.429 168 P HA 0.378 nan 4.420 nan 0.000 0.270 168 P C -0.683 176.409 177.300 -0.347 0.000 1.223 168 P CA -0.063 62.875 63.100 -0.269 0.000 0.785 168 P CB 0.956 32.551 31.700 -0.175 0.000 0.923 169 L N 0.187 121.132 121.223 -0.464 0.000 2.869 169 L HA 0.492 4.832 4.340 0.000 0.000 0.265 169 L C -0.721 175.846 176.870 -0.505 0.000 1.011 169 L CA -0.301 54.159 54.840 -0.632 0.000 0.913 169 L CB 2.030 43.345 42.059 -1.240 0.000 1.490 169 L HN 0.515 nan 8.230 nan 0.000 0.410 170 S N -0.624 114.965 115.700 -0.185 0.000 2.671 170 S HA 0.827 5.297 4.470 0.000 0.000 0.277 170 S C -2.156 172.686 174.600 0.403 0.000 1.165 170 S CA -0.707 57.574 58.200 0.135 0.000 0.822 170 S CB 2.381 65.596 63.200 0.025 0.000 1.150 170 S HN 0.676 nan 8.310 nan 0.000 0.479 171 W N 1.306 122.644 121.300 0.062 0.000 3.544 171 W HA 0.444 5.104 4.660 -0.000 0.000 0.326 171 W C -2.238 174.219 176.519 -0.103 0.000 1.137 171 W CA -0.442 56.898 57.345 -0.008 0.000 1.252 171 W CB 1.288 30.724 29.460 -0.039 0.000 1.302 171 W HN 0.698 nan 8.180 nan 0.000 0.467 172 D N 6.523 126.549 120.400 -0.625 0.000 2.365 172 D HA 0.227 4.867 4.640 0.000 0.000 0.237 172 D C 0.532 176.161 176.300 -1.118 0.000 1.190 172 D CA 0.167 53.778 54.000 -0.649 0.000 0.867 172 D CB 1.029 41.587 40.800 -0.403 0.000 1.050 172 D HN 0.342 nan 8.370 nan 0.000 0.491 173 I N 4.114 124.108 120.570 -0.961 0.000 2.662 173 I HA -0.011 4.159 4.170 0.000 0.000 0.285 173 I C -1.817 173.961 176.117 -0.566 0.000 1.161 173 I CA -1.263 59.463 61.300 -0.957 0.000 1.415 173 I CB 0.118 37.815 38.000 -0.505 0.000 1.385 173 I HN 0.000 nan 8.210 nan 0.000 0.552 174 P HA -0.001 nan 4.420 nan 0.000 0.270 174 P C 0.547 177.756 177.300 -0.152 0.000 1.227 174 P CA -0.204 62.757 63.100 -0.232 0.000 0.788 174 P CB 0.668 32.307 31.700 -0.101 0.000 0.926 175 E N 0.230 120.369 120.200 -0.101 0.000 2.047 175 E HA -0.078 4.272 4.350 0.000 0.000 0.191 175 E C 0.714 177.290 176.600 -0.040 0.000 0.987 175 E CA 1.230 57.585 56.400 -0.075 0.000 0.799 175 E CB -0.423 29.241 29.700 -0.061 0.000 0.752 175 E HN 0.359 nan 8.360 nan 0.000 0.449 176 L N -1.077 120.138 121.223 -0.013 0.000 2.295 176 L HA 0.674 5.014 4.340 0.000 0.000 0.285 176 L C -0.211 176.693 176.870 0.056 0.000 1.035 176 L CA -0.670 54.181 54.840 0.018 0.000 0.806 176 L CB 1.886 43.958 42.059 0.021 0.000 1.214 176 L HN -0.250 nan 8.230 nan 0.000 0.426 177 V N 1.863 121.833 119.914 0.092 0.000 3.234 177 V HA 0.362 4.482 4.120 0.000 0.000 0.280 177 V C -1.422 174.806 176.094 0.224 0.000 1.580 177 V CA -0.747 61.667 62.300 0.191 0.000 1.032 177 V CB 2.555 34.526 31.823 0.248 0.000 1.203 177 V HN 0.968 nan 8.190 nan 0.000 0.459 178 N N 3.716 122.594 118.700 0.296 0.000 2.447 178 N HA 0.232 4.972 4.740 0.000 0.000 0.263 178 N C -0.152 175.568 175.510 0.351 0.000 1.226 178 N CA 0.096 53.296 53.050 0.249 0.000 0.906 178 N CB 0.473 39.059 38.487 0.165 0.000 1.060 178 N HN 0.638 nan 8.380 nan 0.000 0.468 179 M N 1.219 120.952 119.600 0.222 0.000 2.167 179 M HA 0.358 4.838 4.480 0.000 0.000 0.300 179 M C 1.190 177.633 176.300 0.237 0.000 1.171 179 M CA 0.845 56.276 55.300 0.218 0.000 1.171 179 M CB 0.368 33.047 32.600 0.132 0.000 1.396 179 M HN 0.853 nan 8.290 nan 0.000 0.466 180 G N 0.135 109.072 108.800 0.228 0.000 2.343 180 G HA2 0.027 3.987 3.960 0.000 0.000 0.465 180 G HA3 0.027 3.987 3.960 0.000 0.000 0.465 180 G C -1.782 173.249 174.900 0.219 0.000 1.282 180 G CA -1.026 44.172 45.100 0.165 0.000 0.996 180 G HN 0.509 nan 8.290 nan 0.000 0.521 181 Q N 0.046 119.896 119.800 0.083 0.000 2.406 181 Q HA 0.363 4.703 4.340 0.000 0.000 0.242 181 Q C -0.529 175.446 176.000 -0.041 0.000 1.036 181 Q CA -0.104 55.726 55.803 0.045 0.000 0.904 181 Q CB 0.688 29.422 28.738 -0.007 0.000 1.244 181 Q HN 0.437 nan 8.270 nan 0.000 0.478 182 W N 2.076 123.118 121.300 -0.431 0.000 2.086 182 W HA 0.359 5.019 4.660 0.000 0.000 0.355 182 W C 0.755 176.894 176.519 -0.634 0.000 1.313 182 W CA -0.220 56.745 57.345 -0.634 0.000 1.358 182 W CB 0.608 29.441 29.460 -1.046 0.000 1.166 182 W HN 0.276 nan 8.180 nan 0.000 0.630 183 K N 1.340 121.589 120.400 -0.251 0.000 2.464 183 K HA 0.583 4.903 4.320 0.000 0.000 0.253 183 K C -1.623 174.957 176.600 -0.033 0.000 0.933 183 K CA -0.616 55.599 56.287 -0.120 0.000 0.801 183 K CB 1.403 33.835 32.500 -0.113 0.000 1.271 183 K HN 0.505 nan 8.250 nan 0.000 0.430 184 I N 4.369 124.968 120.570 0.047 0.000 2.382 184 I HA 0.396 4.566 4.170 0.000 0.000 0.286 184 I C -0.436 175.682 176.117 0.001 0.000 1.002 184 I CA -0.823 60.474 61.300 -0.006 0.000 1.135 184 I CB 1.657 39.634 38.000 -0.037 0.000 1.288 184 I HN 0.470 nan 8.210 nan 0.000 0.448 185 R N 5.208 125.693 120.500 -0.025 0.000 2.562 185 R HA 0.894 5.234 4.340 0.000 0.000 0.298 185 R C -1.000 175.284 176.300 -0.025 0.000 0.961 185 R CA -0.841 55.264 56.100 0.009 0.000 0.881 185 R CB 2.416 32.728 30.300 0.019 0.000 1.159 185 R HN 0.660 nan 8.270 nan 0.000 0.450 186 A N 2.331 125.158 122.820 0.012 0.000 2.520 186 A HA 0.645 4.965 4.320 0.000 0.000 0.298 186 A C -1.686 175.911 177.584 0.022 0.000 1.051 186 A CA -0.800 51.170 52.037 -0.111 0.000 0.690 186 A CB 1.139 20.065 19.000 -0.123 0.000 1.281 186 A HN 0.730 nan 8.150 nan 0.000 0.402 187 Y N -1.075 119.230 120.300 0.008 0.000 2.581 187 Y HA 0.753 5.303 4.550 0.000 0.000 0.345 187 Y C -0.946 174.933 175.900 -0.035 0.000 1.036 187 Y CA -1.984 56.133 58.100 0.029 0.000 1.042 187 Y CB 0.628 39.135 38.460 0.079 0.000 1.289 187 Y HN 0.579 nan 8.280 nan 0.000 0.471 188 Y N 1.498 121.985 120.300 0.310 0.000 2.359 188 Y HA 0.070 4.620 4.550 0.000 0.000 0.330 188 Y C 1.740 177.803 175.900 0.272 0.000 1.143 188 Y CA -0.001 58.210 58.100 0.186 0.000 1.318 188 Y CB 1.211 39.737 38.460 0.110 0.000 1.234 188 Y HN 0.892 nan 8.280 nan 0.000 0.522 189 E N 2.047 122.472 120.200 0.375 0.000 2.331 189 E HA -0.270 4.080 4.350 0.000 0.000 0.199 189 E C 1.012 177.735 176.600 0.205 0.000 1.008 189 E CA 1.070 57.646 56.400 0.294 0.000 0.843 189 E CB 0.170 29.979 29.700 0.182 0.000 0.761 189 E HN 0.725 nan 8.360 nan 0.000 0.507 190 N N 0.110 118.921 118.700 0.186 0.000 2.216 190 N HA -0.057 4.683 4.740 0.000 0.000 0.183 190 N C -0.185 175.381 175.510 0.094 0.000 1.017 190 N CA 1.152 54.265 53.050 0.106 0.000 0.861 190 N CB 0.362 38.885 38.487 0.059 0.000 0.986 190 N HN 0.011 nan 8.380 nan 0.000 0.428 191 S N -0.589 115.197 115.700 0.145 0.000 2.524 191 S HA 0.415 4.885 4.470 0.000 0.000 0.227 191 S C -2.408 172.201 174.600 0.016 0.000 1.304 191 S CA -1.219 57.029 58.200 0.081 0.000 1.185 191 S CB 2.397 65.670 63.200 0.122 0.000 1.104 191 S HN -0.082 nan 8.310 nan 0.000 0.475 192 P HA -0.199 nan 4.420 nan 0.000 0.217 192 P C 2.034 179.115 177.300 -0.365 0.000 1.150 192 P CA 1.050 63.786 63.100 -0.607 0.000 0.832 192 P CB 0.113 31.474 31.700 -0.564 0.000 0.787 193 Q N 0.283 119.977 119.800 -0.177 0.000 2.084 193 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 193 Q C 1.073 177.023 176.000 -0.084 0.000 0.978 193 Q CA 1.390 57.123 55.803 -0.116 0.000 0.844 193 Q CB -1.232 27.460 28.738 -0.077 0.000 0.898 193 Q HN 0.327 nan 8.270 nan 0.000 0.426 194 Q N 1.521 121.302 119.800 -0.033 0.000 2.452 194 Q HA 0.338 4.678 4.340 0.000 0.000 0.230 194 Q C -1.259 174.724 176.000 -0.028 0.000 1.180 194 Q CA -0.272 55.496 55.803 -0.058 0.000 0.914 194 Q CB 0.709 29.479 28.738 0.053 0.000 1.408 194 Q HN 0.114 nan 8.270 nan 0.000 0.520 195 V N 4.175 124.008 119.914 -0.135 0.000 2.716 195 V HA 0.474 4.594 4.120 0.000 0.000 0.304 195 V C -0.474 175.454 176.094 -0.276 0.000 1.053 195 V CA -0.294 62.011 62.300 0.008 0.000 0.984 195 V CB 1.198 33.044 31.823 0.039 0.000 1.021 195 V HN 0.523 nan 8.190 nan 0.000 0.467 196 F N 0.947 120.892 119.950 -0.008 0.000 2.551 196 F HA 0.685 5.212 4.527 0.000 0.000 0.316 196 F C 0.273 176.055 175.800 -0.030 0.000 1.089 196 F CA -0.392 57.577 58.000 -0.051 0.000 0.915 196 F CB 2.331 41.257 39.000 -0.123 0.000 1.186 196 F HN 0.319 nan 8.300 nan 0.000 0.456 197 S N 0.680 116.459 115.700 0.132 0.000 2.548 197 S HA 0.764 5.234 4.470 0.000 0.000 0.276 197 S C -0.876 173.787 174.600 0.105 0.000 1.129 197 S CA -0.678 57.572 58.200 0.085 0.000 0.931 197 S CB 2.249 65.467 63.200 0.030 0.000 1.068 197 S HN 0.559 nan 8.310 nan 0.000 0.480 198 T N 2.293 116.916 114.554 0.115 0.000 2.906 198 T HA 0.469 4.819 4.350 0.000 0.000 0.295 198 T C -0.874 173.921 174.700 0.159 0.000 1.061 198 T CA -0.725 61.461 62.100 0.144 0.000 1.000 198 T CB 1.591 70.568 68.868 0.180 0.000 1.103 198 T HN 0.556 nan 8.240 nan 0.000 0.486 199 E N 1.026 121.324 120.200 0.164 0.000 2.239 199 E HA 0.741 5.091 4.350 0.000 0.000 0.261 199 E C -1.198 175.604 176.600 0.336 0.000 1.016 199 E CA -0.831 55.657 56.400 0.146 0.000 0.882 199 E CB 1.590 31.331 29.700 0.067 0.000 1.190 199 E HN 0.571 nan 8.360 nan 0.000 0.415 200 F N -1.667 118.379 119.950 0.161 0.000 2.635 200 F HA 0.367 4.894 4.527 0.000 0.000 0.314 200 F C -0.774 175.160 175.800 0.222 0.000 1.119 200 F CA -1.130 56.991 58.000 0.202 0.000 1.000 200 F CB 0.941 40.117 39.000 0.293 0.000 1.278 200 F HN 0.264 nan 8.300 nan 0.000 0.446 201 E N 2.297 122.661 120.200 0.272 0.000 2.331 201 E HA 0.579 4.929 4.350 0.000 0.000 0.272 201 E C -1.525 175.234 176.600 0.265 0.000 1.036 201 E CA -0.732 55.784 56.400 0.193 0.000 0.864 201 E CB 1.692 31.469 29.700 0.127 0.000 1.035 201 E HN 0.648 nan 8.360 nan 0.000 0.408 202 V N 5.361 125.395 119.914 0.199 0.000 2.409 202 V HA 0.423 4.543 4.120 0.000 0.000 0.291 202 V C -0.089 176.111 176.094 0.176 0.000 1.020 202 V CA -0.469 61.932 62.300 0.169 0.000 0.848 202 V CB 1.395 33.192 31.823 -0.043 0.000 0.990 202 V HN 0.677 nan 8.190 nan 0.000 0.430 203 K N 3.048 123.571 120.400 0.206 0.000 2.499 203 K HA 0.597 4.917 4.320 0.000 0.000 0.277 203 K C -1.214 175.454 176.600 0.114 0.000 1.025 203 K CA -0.817 55.584 56.287 0.191 0.000 0.900 203 K CB 2.632 35.282 32.500 0.250 0.000 1.494 203 K HN 0.663 nan 8.250 nan 0.000 0.442 204 E N 1.451 121.692 120.200 0.069 0.000 2.133 204 E HA 0.303 4.653 4.350 0.000 0.000 0.274 204 E C -1.663 174.948 176.600 0.017 0.000 0.930 204 E CA -0.645 55.714 56.400 -0.068 0.000 0.770 204 E CB 1.187 30.860 29.700 -0.045 0.000 1.104 204 E HN 0.427 nan 8.360 nan 0.000 0.403 205 Y N -0.784 119.505 120.300 -0.018 0.000 2.592 205 Y HA 0.516 5.066 4.550 0.000 0.000 0.334 205 Y C -0.994 174.887 175.900 -0.032 0.000 1.136 205 Y CA -1.466 56.616 58.100 -0.029 0.000 1.042 205 Y CB 0.232 38.666 38.460 -0.042 0.000 1.325 205 Y HN 0.176 nan 8.280 nan 0.000 0.457 206 V N 0.624 120.642 119.914 0.174 0.000 2.713 206 V HA 0.630 4.750 4.120 0.000 0.000 0.307 206 V C -0.225 175.988 176.094 0.198 0.000 1.052 206 V CA -1.051 61.336 62.300 0.145 0.000 0.967 206 V CB 1.433 33.293 31.823 0.062 0.000 1.019 206 V HN 0.759 nan 8.190 nan 0.000 0.459 207 L N 4.444 125.756 121.223 0.149 0.000 2.439 207 L HA 0.482 4.822 4.340 0.000 0.000 0.269 207 L C -1.810 175.057 176.870 -0.005 0.000 1.179 207 L CA -1.003 53.865 54.840 0.047 0.000 0.828 207 L CB 0.010 42.086 42.059 0.028 0.000 1.106 207 L HN 0.672 nan 8.230 nan 0.000 0.467 208 P HA 0.230 nan 4.420 nan 0.000 0.281 208 P C -0.370 176.867 177.300 -0.105 0.000 1.249 208 P CA -0.499 62.502 63.100 -0.165 0.000 0.810 208 P CB 1.035 32.547 31.700 -0.313 0.000 1.008 209 S N 0.285 115.953 115.700 -0.053 0.000 2.557 209 S HA 0.319 4.789 4.470 0.000 0.000 0.223 209 S C 0.233 174.931 174.600 0.164 0.000 0.969 209 S CA -0.446 57.848 58.200 0.157 0.000 0.927 209 S CB -1.043 62.378 63.200 0.367 0.000 0.806 209 S HN 0.500 nan 8.310 nan 0.000 0.489 210 F N -0.064 119.772 119.950 -0.190 0.000 2.685 210 F HA 0.791 5.320 4.527 0.003 0.000 0.315 210 F C -0.946 174.740 175.800 -0.190 0.000 1.126 210 F CA -1.289 56.525 58.000 -0.310 0.000 0.950 210 F CB 0.793 39.378 39.000 -0.692 0.000 1.360 210 F HN 0.112 nan 8.300 nan 0.000 0.469 211 E N 1.006 121.220 120.200 0.024 0.000 2.207 211 E HA 0.723 5.073 4.350 0.000 0.000 0.270 211 E C -1.841 174.803 176.600 0.074 0.000 0.927 211 E CA -1.043 55.343 56.400 -0.024 0.000 0.799 211 E CB 2.517 32.212 29.700 -0.008 0.000 1.172 211 E HN 0.543 nan 8.360 nan 0.000 0.404 212 V N 3.626 123.552 119.914 0.020 0.000 2.604 212 V HA 0.460 4.580 4.120 0.000 0.000 0.305 212 V C -0.306 175.794 176.094 0.010 0.000 1.043 212 V CA -0.748 61.582 62.300 0.049 0.000 0.888 212 V CB 1.516 33.379 31.823 0.067 0.000 0.995 212 V HN 0.652 nan 8.190 nan 0.000 0.429 213 I N 4.448 125.022 120.570 0.008 0.000 2.512 213 I HA 0.505 4.675 4.170 0.000 0.000 0.287 213 I C -0.828 175.283 176.117 -0.010 0.000 1.069 213 I CA -0.788 60.510 61.300 -0.004 0.000 1.056 213 I CB 2.045 40.043 38.000 -0.002 0.000 1.229 213 I HN 0.238 nan 8.210 nan 0.000 0.429 214 V N 4.964 124.867 119.914 -0.019 0.000 2.532 214 V HA 0.500 4.620 4.120 0.000 0.000 0.295 214 V C -0.318 175.760 176.094 -0.025 0.000 1.041 214 V CA -0.441 61.840 62.300 -0.032 0.000 0.926 214 V CB 1.897 33.683 31.823 -0.060 0.000 0.992 214 V HN 0.750 nan 8.190 nan 0.000 0.457 215 E N 4.071 124.258 120.200 -0.022 0.000 2.313 215 E HA 0.392 4.742 4.350 0.000 0.000 0.280 215 E C -2.939 173.659 176.600 -0.004 0.000 0.898 215 E CA -1.608 54.786 56.400 -0.010 0.000 0.803 215 E CB 2.950 32.649 29.700 -0.002 0.000 1.286 215 E HN 0.467 nan 8.360 nan 0.000 0.401 216 P HA 0.016 nan 4.420 nan 0.000 0.271 216 P C 0.700 177.993 177.300 -0.012 0.000 1.220 216 P CA -0.165 62.936 63.100 0.001 0.000 0.768 216 P CB 0.831 32.533 31.700 0.003 0.000 0.848 217 T N -0.312 114.231 114.554 -0.018 0.000 2.822 217 T HA -0.117 4.233 4.350 0.000 0.000 0.270 217 T C 0.585 175.247 174.700 -0.064 0.000 1.064 217 T CA 1.253 63.335 62.100 -0.030 0.000 1.131 217 T CB -0.367 68.484 68.868 -0.029 0.000 0.858 217 T HN 0.389 nan 8.240 nan 0.000 0.483 218 E N 0.537 120.658 120.200 -0.131 0.000 2.244 218 E HA 0.399 4.749 4.350 0.000 0.000 0.266 218 E C -0.285 176.231 176.600 -0.141 0.000 0.914 218 E CA -0.684 55.563 56.400 -0.255 0.000 0.794 218 E CB 1.880 31.137 29.700 -0.738 0.000 1.210 218 E HN 0.154 nan 8.360 nan 0.000 0.414 219 K N 1.107 121.547 120.400 0.067 0.000 2.589 219 K HA 0.131 4.451 4.320 0.000 0.000 0.204 219 K C -0.431 176.368 176.600 0.332 0.000 1.029 219 K CA 0.260 56.667 56.287 0.200 0.000 1.177 219 K CB -0.366 32.264 32.500 0.217 0.000 0.902 219 K HN 0.314 nan 8.250 nan 0.000 0.501 220 F N -3.970 116.018 119.950 0.062 0.000 2.900 220 F HA 0.322 4.849 4.527 0.001 0.000 0.321 220 F C -1.792 174.115 175.800 0.177 0.000 1.160 220 F CA -1.836 56.221 58.000 0.096 0.000 0.890 220 F CB 0.708 39.733 39.000 0.041 0.000 1.334 220 F HN -0.219 nan 8.300 nan 0.000 0.459 221 Y N 1.835 122.218 120.300 0.138 0.000 2.361 221 Y HA 0.569 5.119 4.550 -0.000 0.000 0.337 221 Y C -1.686 174.384 175.900 0.284 0.000 0.965 221 Y CA -1.779 56.354 58.100 0.054 0.000 1.091 221 Y CB 1.279 39.772 38.460 0.055 0.000 1.182 221 Y HN 0.738 nan 8.280 nan 0.000 0.450 222 Y N 7.567 127.517 120.300 -0.584 0.000 2.365 222 Y HA 0.292 4.842 4.550 0.000 0.000 0.340 222 Y C 0.927 176.399 175.900 -0.713 0.000 1.016 222 Y CA -0.838 57.050 58.100 -0.353 0.000 1.196 222 Y CB 0.666 39.058 38.460 -0.114 0.000 1.167 222 Y HN 0.781 nan 8.280 nan 0.000 0.509 223 I N 5.150 125.338 120.570 -0.637 0.000 2.423 223 I HA -0.341 3.829 4.170 0.000 0.000 0.254 223 I C 0.526 176.286 176.117 -0.594 0.000 1.151 223 I CA 1.552 62.554 61.300 -0.497 0.000 1.421 223 I CB -0.355 37.426 38.000 -0.365 0.000 1.079 223 I HN 0.693 nan 8.210 nan 0.000 0.431 224 Y N -0.110 119.654 120.300 -0.892 0.000 2.532 224 Y HA 0.182 4.732 4.550 -0.000 0.000 0.283 224 Y C 0.967 176.757 175.900 -0.182 0.000 1.181 224 Y CA -0.523 57.295 58.100 -0.469 0.000 1.256 224 Y CB -0.244 37.952 38.460 -0.440 0.000 1.112 224 Y HN 0.072 nan 8.280 nan 0.000 0.521 225 N N 1.963 120.610 118.700 -0.088 0.000 2.663 225 N HA -0.044 4.696 4.740 0.000 0.000 0.250 225 N C 1.012 176.587 175.510 0.110 0.000 1.129 225 N CA 0.305 53.394 53.050 0.065 0.000 0.995 225 N CB 0.513 38.968 38.487 -0.053 0.000 1.324 225 N HN 0.254 nan 8.380 nan 0.000 0.512 226 E N 2.576 122.833 120.200 0.095 0.000 2.233 226 E HA -0.199 4.151 4.350 0.000 0.000 0.199 226 E C 0.929 177.574 176.600 0.075 0.000 1.004 226 E CA 1.577 58.021 56.400 0.073 0.000 0.819 226 E CB 0.233 29.965 29.700 0.054 0.000 0.738 226 E HN 0.498 nan 8.360 nan 0.000 0.478 227 K N -0.955 119.500 120.400 0.091 0.000 2.365 227 K HA 0.115 4.435 4.320 0.000 0.000 0.199 227 K C 0.872 177.516 176.600 0.074 0.000 1.045 227 K CA 0.475 56.803 56.287 0.069 0.000 0.962 227 K CB 0.031 32.568 32.500 0.061 0.000 0.759 227 K HN 0.286 nan 8.250 nan 0.000 0.469 228 G N 0.858 109.762 108.800 0.173 0.000 2.693 228 G HA2 -0.269 3.691 3.960 0.000 0.000 0.226 228 G HA3 -0.269 3.691 3.960 0.000 0.000 0.226 228 G C -1.279 173.681 174.900 0.100 0.000 1.354 228 G CA -0.478 44.675 45.100 0.087 0.000 0.873 228 G HN 0.143 nan 8.290 nan 0.000 0.562 229 L N 1.163 122.281 121.223 -0.175 0.000 2.260 229 L HA 0.630 4.970 4.340 0.000 0.000 0.289 229 L C 0.518 177.409 176.870 0.034 0.000 1.057 229 L CA -0.242 54.580 54.840 -0.030 0.000 0.811 229 L CB 0.582 42.597 42.059 -0.073 0.000 1.184 229 L HN 0.591 nan 8.230 nan 0.000 0.429 230 E N 4.040 124.275 120.200 0.058 0.000 2.216 230 E HA 0.578 4.928 4.350 0.000 0.000 0.279 230 E C -1.233 175.407 176.600 0.067 0.000 0.997 230 E CA -0.701 55.730 56.400 0.052 0.000 0.817 230 E CB 2.319 32.035 29.700 0.026 0.000 1.096 230 E HN 0.420 nan 8.360 nan 0.000 0.393 231 V N 2.340 122.303 119.914 0.082 0.000 2.808 231 V HA 0.277 4.397 4.120 0.000 0.000 0.308 231 V C -0.663 175.454 176.094 0.039 0.000 1.099 231 V CA -0.728 61.610 62.300 0.064 0.000 0.920 231 V CB 2.533 34.412 31.823 0.093 0.000 1.014 231 V HN 0.708 nan 8.190 nan 0.000 0.425 232 T N 5.778 120.341 114.554 0.016 0.000 2.770 232 T HA 0.589 4.939 4.350 0.000 0.000 0.283 232 T C -0.401 174.298 174.700 -0.002 0.000 0.988 232 T CA -0.368 61.736 62.100 0.007 0.000 0.957 232 T CB 0.941 69.811 68.868 0.003 0.000 0.930 232 T HN 0.270 nan 8.240 nan 0.000 0.443 233 I N 3.491 124.058 120.570 -0.005 0.000 2.385 233 I HA 0.433 4.603 4.170 0.000 0.000 0.294 233 I C 0.454 176.561 176.117 -0.017 0.000 0.988 233 I CA -0.435 60.858 61.300 -0.012 0.000 1.265 233 I CB 1.218 39.210 38.000 -0.013 0.000 1.388 233 I HN 0.621 nan 8.210 nan 0.000 0.480 234 T N 5.027 119.573 114.554 -0.014 0.000 2.928 234 T HA 0.733 5.083 4.350 0.000 0.000 0.296 234 T C -0.495 174.194 174.700 -0.018 0.000 1.000 234 T CA -0.609 61.480 62.100 -0.019 0.000 0.989 234 T CB 1.992 70.853 68.868 -0.011 0.000 1.005 234 T HN 0.716 nan 8.240 nan 0.000 0.442 235 A N 3.621 126.410 122.820 -0.052 0.000 2.371 235 A HA 0.960 5.280 4.320 0.000 0.000 0.311 235 A C -0.451 177.057 177.584 -0.127 0.000 1.068 235 A CA -1.113 50.877 52.037 -0.078 0.000 0.744 235 A CB 1.276 20.156 19.000 -0.200 0.000 1.239 235 A HN 0.949 nan 8.150 nan 0.000 0.435 236 R N 1.460 121.897 120.500 -0.104 0.000 2.536 236 R HA 0.563 4.904 4.340 0.000 0.000 0.269 236 R C -1.604 174.638 176.300 -0.098 0.000 1.113 236 R CA -0.683 55.363 56.100 -0.089 0.000 0.948 236 R CB 0.433 30.730 30.300 -0.006 0.000 1.237 236 R HN 0.377 nan 8.270 nan 0.000 0.441 237 F N 2.112 121.953 119.950 -0.181 0.000 2.640 237 F HA -0.030 4.497 4.527 0.000 0.000 0.329 237 F C 1.952 177.596 175.800 -0.260 0.000 1.224 237 F CA 0.036 57.846 58.000 -0.317 0.000 1.373 237 F CB 0.337 38.730 39.000 -1.013 0.000 1.129 237 F HN 0.420 nan 8.300 nan 0.000 0.610 238 L N 0.174 121.379 121.223 -0.030 0.000 1.988 238 L HA -0.141 4.199 4.340 0.000 0.000 0.207 238 L C 0.496 177.413 176.870 0.079 0.000 1.071 238 L CA 0.484 55.352 54.840 0.047 0.000 0.744 238 L CB -0.875 41.248 42.059 0.107 0.000 0.893 238 L HN 0.551 nan 8.230 nan 0.000 0.433 239 Y N 1.168 121.565 120.300 0.161 0.000 2.805 239 Y HA 0.287 4.836 4.550 -0.002 0.000 0.331 239 Y C 0.897 176.874 175.900 0.128 0.000 1.241 239 Y CA -1.151 57.013 58.100 0.107 0.000 1.546 239 Y CB -0.805 37.694 38.460 0.064 0.000 1.248 239 Y HN 0.016 nan 8.280 nan 0.000 0.559 240 G N 4.652 113.548 108.800 0.160 0.000 2.307 240 G HA2 0.387 4.347 3.960 0.000 0.000 0.271 240 G HA3 0.387 4.347 3.960 0.000 0.000 0.271 240 G C -0.385 174.581 174.900 0.111 0.000 1.191 240 G CA -0.459 44.697 45.100 0.093 0.000 1.024 240 G HN 0.526 nan 8.290 nan 0.000 0.441 241 K N 1.597 122.044 120.400 0.078 0.000 2.572 241 K HA 0.236 4.556 4.320 0.000 0.000 0.263 241 K C -0.282 176.420 176.600 0.169 0.000 0.932 241 K CA -0.763 55.589 56.287 0.109 0.000 0.838 241 K CB 1.838 34.400 32.500 0.103 0.000 1.366 241 K HN 0.512 nan 8.250 nan 0.000 0.425 242 K N 0.991 121.465 120.400 0.123 0.000 2.295 242 K HA 0.342 4.662 4.320 0.000 0.000 0.270 242 K C -0.127 176.570 176.600 0.162 0.000 1.011 242 K CA -0.508 55.839 56.287 0.100 0.000 0.953 242 K CB 0.897 33.426 32.500 0.048 0.000 0.956 242 K HN 0.167 nan 8.250 nan 0.000 0.477 243 V N 3.304 123.232 119.914 0.022 0.000 2.532 243 V HA 0.153 4.273 4.120 0.000 0.000 0.295 243 V C -0.097 175.939 176.094 -0.097 0.000 1.041 243 V CA -0.559 61.695 62.300 -0.075 0.000 0.926 243 V CB 1.562 33.036 31.823 -0.582 0.000 0.992 243 V HN 0.694 nan 8.190 nan 0.000 0.457 244 E N 2.641 122.805 120.200 -0.060 0.000 2.195 244 E HA 0.772 5.122 4.350 0.000 0.000 0.271 244 E C 0.068 176.424 176.600 -0.407 0.000 0.923 244 E CA -0.279 56.070 56.400 -0.086 0.000 0.790 244 E CB 2.426 32.202 29.700 0.126 0.000 1.155 244 E HN 0.928 nan 8.360 nan 0.000 0.402 245 G N 0.801 109.186 108.800 -0.691 0.000 2.315 245 G HA2 0.317 4.278 3.960 0.000 0.000 0.294 245 G HA3 0.317 4.278 3.960 0.000 0.000 0.294 245 G C -1.012 173.576 174.900 -0.520 0.000 1.300 245 G CA -0.457 44.015 45.100 -1.046 0.000 0.843 245 G HN 0.481 nan 8.290 nan 0.000 0.527 246 T N -2.256 112.111 114.554 -0.312 0.000 2.912 246 T HA 0.906 5.256 4.350 0.000 0.000 0.288 246 T C -0.198 174.367 174.700 -0.226 0.000 1.030 246 T CA 0.023 61.999 62.100 -0.207 0.000 1.020 246 T CB 2.005 70.761 68.868 -0.187 0.000 1.056 246 T HN 2.163 nan 8.240 nan 0.000 0.480 247 A N 1.723 124.372 122.820 -0.285 0.000 2.398 247 A HA 0.720 5.041 4.320 0.000 0.000 0.301 247 A C -1.107 176.318 177.584 -0.265 0.000 1.041 247 A CA -0.975 50.959 52.037 -0.171 0.000 0.711 247 A CB 0.803 19.769 19.000 -0.056 0.000 1.240 247 A HN 0.761 nan 8.150 nan 0.000 0.420 248 F N 2.080 122.040 119.950 0.016 0.000 2.405 248 F HA 0.520 5.048 4.527 0.002 0.000 0.355 248 F C 0.281 176.094 175.800 0.023 0.000 1.121 248 F CA -0.482 57.531 58.000 0.022 0.000 1.112 248 F CB 1.646 40.658 39.000 0.021 0.000 1.126 248 F HN 0.269 nan 8.300 nan 0.000 0.481 249 V N 5.324 125.341 119.914 0.172 0.000 2.628 249 V HA 0.614 4.734 4.120 0.000 0.000 0.306 249 V C -0.391 175.815 176.094 0.187 0.000 1.045 249 V CA -0.959 61.422 62.300 0.135 0.000 0.905 249 V CB 2.222 34.124 31.823 0.131 0.000 0.997 249 V HN 0.740 nan 8.190 nan 0.000 0.436 250 I N 2.563 123.211 120.570 0.129 0.000 2.842 250 I HA 0.602 4.772 4.170 0.000 0.000 0.297 250 I C -1.711 174.448 176.117 0.070 0.000 1.380 250 I CA -0.352 61.071 61.300 0.206 0.000 1.018 250 I CB 2.102 40.164 38.000 0.104 0.000 1.311 250 I HN 0.535 nan 8.210 nan 0.000 0.439 251 F N 3.931 123.759 119.950 -0.203 0.000 2.585 251 F HA 0.943 5.470 4.527 -0.000 0.000 0.350 251 F C 0.818 176.267 175.800 -0.585 0.000 1.074 251 F CA -0.560 57.219 58.000 -0.368 0.000 1.032 251 F CB 2.059 40.896 39.000 -0.273 0.000 1.330 251 F HN 0.539 nan 8.300 nan 0.000 0.495 252 G N -0.016 108.341 108.800 -0.738 0.000 2.559 252 G HA2 0.593 4.553 3.960 0.000 0.000 0.291 252 G HA3 0.593 4.553 3.960 0.000 0.000 0.291 252 G C -2.085 172.663 174.900 -0.253 0.000 1.424 252 G CA -0.828 43.851 45.100 -0.702 0.000 0.786 252 G HN 0.504 nan 8.290 nan 0.000 0.485 253 I N 0.235 120.897 120.570 0.153 0.000 2.474 253 I HA 0.465 4.635 4.170 0.000 0.000 0.294 253 I C -0.185 176.118 176.117 0.310 0.000 1.005 253 I CA -0.706 60.730 61.300 0.227 0.000 1.113 253 I CB 2.187 40.253 38.000 0.111 0.000 1.289 253 I HN 0.437 nan 8.210 nan 0.000 0.436 254 Q N 4.077 124.019 119.800 0.237 0.000 2.282 254 Q HA 0.316 4.656 4.340 0.000 0.000 0.260 254 Q C -1.541 174.502 176.000 0.073 0.000 0.964 254 Q CA -0.597 55.271 55.803 0.107 0.000 0.880 254 Q CB 2.041 30.786 28.738 0.011 0.000 1.286 254 Q HN 0.501 nan 8.270 nan 0.000 0.445 255 D N 2.476 122.904 120.400 0.046 0.000 2.469 255 D HA 0.399 5.039 4.640 0.000 0.000 0.251 255 D C 0.474 176.786 176.300 0.020 0.000 1.173 255 D CA 0.925 54.947 54.000 0.037 0.000 0.882 255 D CB 1.055 41.878 40.800 0.037 0.000 1.129 255 D HN 0.793 nan 8.370 nan 0.000 0.549 256 G N 4.929 113.740 108.800 0.018 0.000 2.846 256 G HA2 -0.368 3.593 3.960 0.000 0.000 0.317 256 G HA3 -0.368 3.593 3.960 0.000 0.000 0.317 256 G C 0.609 175.506 174.900 -0.005 0.000 1.210 256 G CA 0.883 45.988 45.100 0.009 0.000 0.972 256 G HN 0.514 nan 8.290 nan 0.000 0.567 257 E N 0.992 121.186 120.200 -0.011 0.000 2.539 257 E HA 0.301 4.651 4.350 0.000 0.000 0.215 257 E C 1.035 177.615 176.600 -0.033 0.000 0.965 257 E CA 0.517 56.900 56.400 -0.028 0.000 1.019 257 E CB 0.363 30.049 29.700 -0.023 0.000 1.059 257 E HN 0.719 nan 8.360 nan 0.000 0.496 258 Q N 1.659 121.450 119.800 -0.016 0.000 2.288 258 Q HA 0.287 4.628 4.340 0.000 0.000 0.254 258 Q C -0.553 175.447 176.000 -0.001 0.000 0.932 258 Q CA -0.221 55.578 55.803 -0.006 0.000 0.902 258 Q CB 0.724 29.467 28.738 0.008 0.000 1.203 258 Q HN -0.042 nan 8.270 nan 0.000 0.415 259 R N 4.410 124.913 120.500 0.006 0.000 2.473 259 R HA 0.409 4.749 4.340 0.000 0.000 0.303 259 R C -1.116 175.252 176.300 0.114 0.000 1.002 259 R CA -0.664 55.457 56.100 0.036 0.000 0.884 259 R CB 1.139 31.394 30.300 -0.074 0.000 1.173 259 R HN 0.609 nan 8.270 nan 0.000 0.464 260 I N 2.023 122.695 120.570 0.170 0.000 2.362 260 I HA 0.210 4.380 4.170 0.000 0.000 0.289 260 I C 0.652 176.867 176.117 0.163 0.000 0.994 260 I CA -0.420 60.962 61.300 0.136 0.000 1.158 260 I CB 1.337 39.386 38.000 0.082 0.000 1.315 260 I HN 0.433 nan 8.210 nan 0.000 0.451 261 S N 6.645 122.421 115.700 0.126 0.000 2.584 261 S HA 0.569 5.039 4.470 0.000 0.000 0.273 261 S C -0.179 174.429 174.600 0.012 0.000 1.311 261 S CA -0.513 57.724 58.200 0.062 0.000 1.034 261 S CB 0.503 63.747 63.200 0.074 0.000 0.939 261 S HN 0.442 nan 8.310 nan 0.000 0.513 262 L N 6.597 127.804 121.223 -0.028 0.000 2.314 262 L HA 0.367 4.707 4.340 0.000 0.000 0.275 262 L C -1.382 175.477 176.870 -0.019 0.000 1.068 262 L CA -1.626 53.196 54.840 -0.030 0.000 0.894 262 L CB 0.961 42.984 42.059 -0.060 0.000 1.275 262 L HN 0.566 nan 8.230 nan 0.000 0.432 263 P HA -0.195 nan 4.420 nan 0.000 0.221 263 P C 0.972 178.270 177.300 -0.003 0.000 1.145 263 P CA 1.236 64.337 63.100 0.003 0.000 0.795 263 P CB 0.527 32.229 31.700 0.003 0.000 0.775 264 E N 0.080 120.268 120.200 -0.021 0.000 2.442 264 E HA -0.029 4.321 4.350 0.000 0.000 0.195 264 E C 1.731 178.302 176.600 -0.049 0.000 1.030 264 E CA 0.439 56.820 56.400 -0.031 0.000 0.869 264 E CB 0.056 29.732 29.700 -0.041 0.000 0.857 264 E HN 0.277 nan 8.360 nan 0.000 0.505 265 S N 0.195 115.858 115.700 -0.062 0.000 2.607 265 S HA -0.018 4.452 4.470 0.000 0.000 0.224 265 S C 0.747 175.329 174.600 -0.030 0.000 0.969 265 S CA -0.355 57.775 58.200 -0.118 0.000 0.927 265 S CB -0.121 62.970 63.200 -0.182 0.000 0.772 265 S HN 0.103 nan 8.310 nan 0.000 0.533 266 L N 3.109 124.346 121.223 0.025 0.000 2.513 266 L HA 0.303 4.643 4.340 0.000 0.000 0.272 266 L C -0.349 176.559 176.870 0.064 0.000 1.187 266 L CA 0.782 55.668 54.840 0.076 0.000 0.895 266 L CB 0.014 42.117 42.059 0.073 0.000 1.147 266 L HN 0.086 nan 8.230 nan 0.000 0.483 267 K N 5.579 126.034 120.400 0.092 0.000 2.464 267 K HA 0.396 4.716 4.320 0.000 0.000 0.253 267 K C -1.061 175.562 176.600 0.039 0.000 0.933 267 K CA -0.722 55.595 56.287 0.050 0.000 0.801 267 K CB 2.358 34.875 32.500 0.028 0.000 1.271 267 K HN 0.591 nan 8.250 nan 0.000 0.430 268 R N 3.311 123.798 120.500 -0.022 0.000 2.288 268 R HA 0.352 4.692 4.340 0.000 0.000 0.326 268 R C -0.464 175.743 176.300 -0.155 0.000 0.959 268 R CA -0.531 55.470 56.100 -0.166 0.000 0.834 268 R CB 0.133 30.301 30.300 -0.221 0.000 1.157 268 R HN 0.632 nan 8.270 nan 0.000 0.470 269 I N 1.599 122.070 120.570 -0.164 0.000 2.648 269 I HA 0.678 4.849 4.170 0.000 0.000 0.304 269 I C -2.704 173.336 176.117 -0.128 0.000 1.009 269 I CA -3.159 58.075 61.300 -0.109 0.000 1.114 269 I CB 1.702 39.666 38.000 -0.060 0.000 1.293 269 I HN 0.408 nan 8.210 nan 0.000 0.449 270 P HA 0.338 nan 4.420 nan 0.000 0.286 270 P C -0.867 176.402 177.300 -0.052 0.000 1.269 270 P CA -0.141 62.929 63.100 -0.050 0.000 0.787 270 P CB 0.674 32.369 31.700 -0.008 0.000 0.920 271 I N 3.757 124.282 120.570 -0.075 0.000 2.287 271 I HA 0.207 4.377 4.170 0.000 0.000 0.290 271 I C 0.570 176.655 176.117 -0.053 0.000 1.069 271 I CA -0.151 61.101 61.300 -0.081 0.000 1.237 271 I CB -0.465 37.457 38.000 -0.131 0.000 1.418 271 I HN 0.324 nan 8.210 nan 0.000 0.481 272 E N 4.240 124.426 120.200 -0.024 0.000 2.171 272 E HA 0.194 4.544 4.350 0.000 0.000 0.271 272 E C -0.361 176.236 176.600 -0.004 0.000 0.916 272 E CA -0.598 55.803 56.400 0.002 0.000 0.774 272 E CB 1.254 30.960 29.700 0.010 0.000 1.128 272 E HN 0.441 nan 8.360 nan 0.000 0.403 273 D N 2.670 123.073 120.400 0.006 0.000 2.812 273 D HA -0.205 4.435 4.640 0.000 0.000 0.237 273 D C 0.764 177.060 176.300 -0.007 0.000 1.162 273 D CA 1.483 55.487 54.000 0.007 0.000 0.740 273 D CB -1.114 39.691 40.800 0.009 0.000 1.000 273 D HN 0.870 nan 8.370 nan 0.000 0.416 274 G N -0.378 108.408 108.800 -0.025 0.000 2.186 274 G HA2 -0.266 3.694 3.960 0.000 0.000 0.266 274 G HA3 -0.266 3.694 3.960 0.000 0.000 0.266 274 G C 0.334 175.206 174.900 -0.047 0.000 0.982 274 G CA 1.192 46.264 45.100 -0.046 0.000 0.670 274 G HN 1.437 nan 8.290 nan 0.000 0.533 275 S N -1.544 114.134 115.700 -0.037 0.000 2.579 275 S HA 0.869 5.339 4.470 0.000 0.000 0.272 275 S C -0.229 174.354 174.600 -0.029 0.000 1.141 275 S CA 0.706 58.889 58.200 -0.029 0.000 0.843 275 S CB 1.866 65.056 63.200 -0.015 0.000 1.122 275 S HN 1.843 nan 8.310 nan 0.000 0.468 276 G N 1.298 110.084 108.800 -0.023 0.000 2.720 276 G HA2 0.555 4.515 3.960 0.000 0.000 0.295 276 G HA3 0.555 4.515 3.960 0.000 0.000 0.295 276 G C -2.095 172.799 174.900 -0.009 0.000 1.437 276 G CA -0.482 44.606 45.100 -0.021 0.000 0.886 276 G HN 0.602 nan 8.290 nan 0.000 0.509 277 E N -0.633 119.563 120.200 -0.005 0.000 2.207 277 E HA 0.798 5.148 4.350 0.000 0.000 0.270 277 E C -0.891 175.717 176.600 0.013 0.000 0.927 277 E CA -0.544 55.859 56.400 0.005 0.000 0.799 277 E CB 2.243 31.944 29.700 0.000 0.000 1.172 277 E HN 0.670 nan 8.360 nan 0.000 0.404 278 V N 3.059 122.994 119.914 0.035 0.000 3.236 278 V HA 0.560 4.680 4.120 0.000 0.000 0.287 278 V C -1.722 174.418 176.094 0.078 0.000 1.491 278 V CA -0.591 61.739 62.300 0.051 0.000 1.037 278 V CB 2.319 34.191 31.823 0.082 0.000 1.160 278 V HN 0.472 nan 8.190 nan 0.000 0.453 279 V N 4.112 124.035 119.914 0.014 0.000 2.808 279 V HA 0.534 4.654 4.120 0.000 0.000 0.308 279 V C -0.841 175.024 176.094 -0.382 0.000 1.099 279 V CA -0.662 61.589 62.300 -0.081 0.000 0.920 279 V CB 1.797 33.576 31.823 -0.074 0.000 1.014 279 V HN 0.842 nan 8.190 nan 0.000 0.425 280 L N 4.344 125.161 121.223 -0.677 0.000 2.276 280 L HA 0.724 5.064 4.340 0.000 0.000 0.286 280 L C 0.478 177.084 176.870 -0.439 0.000 1.061 280 L CA 0.596 54.906 54.840 -0.882 0.000 0.807 280 L CB 1.556 42.830 42.059 -1.309 0.000 1.177 280 L HN 0.861 nan 8.230 nan 0.000 0.429 281 S N 4.383 119.884 115.700 -0.333 0.000 2.541 281 S HA 0.379 4.849 4.470 0.000 0.000 0.283 281 S C 1.082 175.572 174.600 -0.183 0.000 1.196 281 S CA -0.484 57.596 58.200 -0.199 0.000 1.062 281 S CB 1.232 64.344 63.200 -0.145 0.000 1.009 281 S HN 0.876 nan 8.310 nan 0.000 0.502 282 R N 1.351 121.788 120.500 -0.105 0.000 2.170 282 R HA -0.172 4.168 4.340 0.000 0.000 0.242 282 R C 1.973 178.222 176.300 -0.085 0.000 1.145 282 R CA 1.896 57.955 56.100 -0.068 0.000 0.984 282 R CB -0.287 30.033 30.300 0.033 0.000 0.869 282 R HN 0.780 nan 8.270 nan 0.000 0.455 283 K N -0.111 120.239 120.400 -0.084 0.000 2.007 283 K HA -0.072 4.248 4.320 0.000 0.000 0.206 283 K C 1.761 178.307 176.600 -0.089 0.000 1.047 283 K CA 1.833 58.075 56.287 -0.074 0.000 0.937 283 K CB -0.152 32.310 32.500 -0.064 0.000 0.718 283 K HN 0.074 nan 8.250 nan 0.000 0.438 284 V N 1.434 121.278 119.914 -0.117 0.000 2.287 284 V HA -0.229 3.891 4.120 0.000 0.000 0.248 284 V C 2.383 178.402 176.094 -0.124 0.000 1.053 284 V CA 1.901 64.126 62.300 -0.124 0.000 1.027 284 V CB -0.840 30.882 31.823 -0.170 0.000 0.646 284 V HN 0.376 nan 8.190 nan 0.000 0.447 285 L N -0.837 120.292 121.223 -0.156 0.000 2.127 285 L HA -0.149 4.192 4.340 0.000 0.000 0.211 285 L C 2.140 178.958 176.870 -0.087 0.000 1.089 285 L CA 1.854 56.609 54.840 -0.141 0.000 0.757 285 L CB -0.211 41.732 42.059 -0.193 0.000 0.899 285 L HN 0.211 nan 8.230 nan 0.000 0.434 286 L N -1.389 119.788 121.223 -0.077 0.000 2.130 286 L HA -0.053 4.287 4.340 0.000 0.000 0.200 286 L C 2.174 179.016 176.870 -0.047 0.000 1.075 286 L CA 0.801 55.608 54.840 -0.055 0.000 0.768 286 L CB -0.745 41.281 42.059 -0.055 0.000 0.933 286 L HN 0.102 nan 8.230 nan 0.000 0.451 287 D N 0.573 120.944 120.400 -0.050 0.000 2.160 287 D HA -0.233 4.407 4.640 0.000 0.000 0.189 287 D C 2.106 178.384 176.300 -0.037 0.000 1.003 287 D CA 1.787 55.762 54.000 -0.041 0.000 0.846 287 D CB -0.724 40.049 40.800 -0.045 0.000 0.949 287 D HN 0.369 nan 8.370 nan 0.000 0.446 288 G N 0.449 109.221 108.800 -0.046 0.000 2.550 288 G HA2 -0.219 3.741 3.960 0.000 0.000 0.222 288 G HA3 -0.219 3.741 3.960 0.000 0.000 0.222 288 G C 1.451 176.337 174.900 -0.024 0.000 1.113 288 G CA 2.026 47.103 45.100 -0.040 0.000 0.748 288 G HN 0.370 nan 8.290 nan 0.000 0.585 289 V N -2.917 116.983 119.914 -0.023 0.000 3.458 289 V HA 0.305 4.425 4.120 0.000 0.000 0.166 289 V C 1.446 177.532 176.094 -0.013 0.000 1.224 289 V CA 0.755 63.048 62.300 -0.012 0.000 1.448 289 V CB -0.300 31.518 31.823 -0.008 0.000 1.279 289 V HN 0.138 nan 8.190 nan 0.000 0.446 290 Q N -0.272 119.520 119.800 -0.014 0.000 2.103 290 Q HA 0.308 4.649 4.340 0.000 0.000 0.219 290 Q C -0.494 175.495 176.000 -0.018 0.000 0.784 290 Q CA -0.201 55.594 55.803 -0.014 0.000 1.014 290 Q CB 0.486 29.218 28.738 -0.008 0.000 1.183 290 Q HN 0.848 nan 8.270 nan 0.000 0.469 291 N N 1.947 120.633 118.700 -0.023 0.000 2.681 291 N HA -0.070 4.670 4.740 0.000 0.000 0.265 291 N C -2.850 172.645 175.510 -0.026 0.000 1.157 291 N CA 0.422 53.455 53.050 -0.028 0.000 0.674 291 N CB -0.353 38.118 38.487 -0.027 0.000 0.887 291 N HN 0.252 nan 8.380 nan 0.000 0.557 292 P HA 0.408 nan 4.420 nan 0.000 0.321 292 P C -0.992 176.287 177.300 -0.035 0.000 1.316 292 P CA -0.801 62.283 63.100 -0.026 0.000 1.266 292 P CB 0.991 32.681 31.700 -0.017 0.000 2.022 293 R N 0.842 121.323 120.500 -0.032 0.000 4.368 293 R HA -0.017 4.323 4.340 0.000 0.000 0.192 293 R C 1.208 177.473 176.300 -0.058 0.000 0.393 293 R CA 0.504 56.580 56.100 -0.040 0.000 0.925 293 R CB -1.418 28.870 30.300 -0.020 0.000 0.967 293 R HN 0.544 nan 8.270 nan 0.000 0.277 294 A N 4.004 126.762 122.820 -0.102 0.000 1.940 294 A HA -0.326 3.994 4.320 0.000 0.000 0.221 294 A C 1.805 179.326 177.584 -0.105 0.000 1.190 294 A CA 2.050 54.006 52.037 -0.135 0.000 0.647 294 A CB -0.265 18.578 19.000 -0.261 0.000 0.821 294 A HN 0.787 nan 8.150 nan 0.000 0.457 295 E N 0.339 120.484 120.200 -0.091 0.000 2.197 295 E HA -0.251 4.099 4.350 0.000 0.000 0.205 295 E C 1.516 178.114 176.600 -0.002 0.000 1.029 295 E CA 1.641 58.030 56.400 -0.019 0.000 0.828 295 E CB -0.473 29.239 29.700 0.019 0.000 0.737 295 E HN 0.675 nan 8.360 nan 0.000 0.464 296 D N 0.002 120.397 120.400 -0.008 0.000 2.116 296 D HA -0.174 4.466 4.640 0.000 0.000 0.193 296 D C 1.702 178.010 176.300 0.014 0.000 0.998 296 D CA 0.852 54.855 54.000 0.004 0.000 0.836 296 D CB -0.291 40.509 40.800 -0.001 0.000 0.951 296 D HN 0.180 nan 8.370 nan 0.000 0.449 297 L N 0.358 121.587 121.223 0.009 0.000 2.549 297 L HA -0.059 4.281 4.340 0.000 0.000 0.230 297 L C 0.488 177.389 176.870 0.051 0.000 1.162 297 L CA -0.088 54.769 54.840 0.030 0.000 0.834 297 L CB 0.028 42.104 42.059 0.029 0.000 0.947 297 L HN -0.110 nan 8.230 nan 0.000 0.452 298 V N 0.445 120.385 119.914 0.043 0.000 2.529 298 V HA 0.205 4.325 4.120 0.000 0.000 0.292 298 V C 1.212 177.340 176.094 0.057 0.000 1.028 298 V CA 1.317 63.652 62.300 0.058 0.000 1.074 298 V CB 0.681 32.536 31.823 0.054 0.000 0.958 298 V HN 0.633 nan 8.190 nan 0.000 0.481 299 G N 4.941 113.782 108.800 0.068 0.000 2.307 299 G HA2 -0.190 3.770 3.960 0.000 0.000 0.210 299 G HA3 -0.190 3.770 3.960 0.000 0.000 0.210 299 G C 0.385 175.326 174.900 0.067 0.000 1.005 299 G CA 0.096 45.232 45.100 0.060 0.000 0.634 299 G HN 0.603 nan 8.290 nan 0.000 0.496 300 K N 0.949 121.393 120.400 0.073 0.000 2.273 300 K HA 0.622 4.942 4.320 0.000 0.000 0.240 300 K C 0.660 177.321 176.600 0.102 0.000 1.056 300 K CA 0.367 56.702 56.287 0.080 0.000 0.910 300 K CB 0.633 33.179 32.500 0.076 0.000 1.196 300 K HN 0.557 nan 8.250 nan 0.000 0.509 301 S N -0.574 115.194 115.700 0.113 0.000 2.632 301 S HA 0.599 5.070 4.470 0.000 0.000 0.289 301 S C -0.700 174.003 174.600 0.171 0.000 1.115 301 S CA -1.107 57.174 58.200 0.136 0.000 0.889 301 S CB 0.913 64.182 63.200 0.115 0.000 1.116 301 S HN 0.360 nan 8.310 nan 0.000 0.486 302 L N 1.036 122.365 121.223 0.176 0.000 2.304 302 L HA 0.740 5.080 4.340 0.000 0.000 0.268 302 L C -1.077 175.944 176.870 0.251 0.000 1.010 302 L CA -1.184 53.764 54.840 0.179 0.000 0.813 302 L CB 1.611 43.729 42.059 0.099 0.000 1.315 302 L HN 1.017 nan 8.230 nan 0.000 0.445 303 Y N -0.817 119.471 120.300 -0.020 0.000 2.581 303 Y HA 0.720 5.270 4.550 0.000 0.000 0.337 303 Y C -1.104 174.649 175.900 -0.246 0.000 1.108 303 Y CA -1.381 56.662 58.100 -0.095 0.000 1.033 303 Y CB 1.402 39.828 38.460 -0.058 0.000 1.318 303 Y HN 0.215 nan 8.280 nan 0.000 0.459 304 V N -0.288 119.472 119.914 -0.255 0.000 2.577 304 V HA 0.730 4.850 4.120 0.000 0.000 0.303 304 V C -0.557 175.397 176.094 -0.234 0.000 1.042 304 V CA -0.688 61.279 62.300 -0.556 0.000 0.872 304 V CB 1.119 32.435 31.823 -0.846 0.000 0.998 304 V HN 0.908 nan 8.190 nan 0.000 0.423 305 S N 3.047 118.641 115.700 -0.178 0.000 2.451 305 S HA 0.880 5.350 4.470 0.000 0.000 0.301 305 S C -0.032 174.539 174.600 -0.048 0.000 1.116 305 S CA 0.258 58.426 58.200 -0.053 0.000 1.093 305 S CB 1.047 64.259 63.200 0.020 0.000 1.017 305 S HN 1.730 nan 8.310 nan 0.000 0.482 306 A N 3.594 126.403 122.820 -0.018 0.000 2.380 306 A HA 0.856 5.177 4.320 0.000 0.000 0.315 306 A C -0.640 176.981 177.584 0.060 0.000 1.101 306 A CA -0.701 51.351 52.037 0.025 0.000 0.771 306 A CB 1.616 20.618 19.000 0.004 0.000 1.287 306 A HN 0.714 nan 8.150 nan 0.000 0.436 307 T N 1.100 115.728 114.554 0.124 0.000 3.031 307 T HA 0.486 4.836 4.350 0.000 0.000 0.305 307 T C -0.770 174.058 174.700 0.214 0.000 0.985 307 T CA -0.344 61.845 62.100 0.147 0.000 1.008 307 T CB 1.053 70.008 68.868 0.146 0.000 1.005 307 T HN 0.520 nan 8.240 nan 0.000 0.444 308 V N 4.490 124.512 119.914 0.180 0.000 2.617 308 V HA 0.598 4.718 4.120 0.000 0.000 0.298 308 V C -0.105 176.121 176.094 0.219 0.000 1.048 308 V CA -0.838 61.566 62.300 0.174 0.000 0.964 308 V CB 1.525 33.462 31.823 0.191 0.000 1.004 308 V HN 0.780 nan 8.190 nan 0.000 0.466 309 I N 4.274 124.926 120.570 0.137 0.000 2.466 309 I HA 0.393 4.563 4.170 0.000 0.000 0.289 309 I C -0.281 175.817 176.117 -0.031 0.000 1.026 309 I CA -0.593 60.785 61.300 0.131 0.000 1.078 309 I CB 1.831 39.942 38.000 0.185 0.000 1.249 309 I HN 0.364 nan 8.210 nan 0.000 0.429 310 L N 4.807 126.026 121.223 -0.007 0.000 2.483 310 L HA 0.079 4.419 4.340 0.000 0.000 0.275 310 L C 1.203 178.050 176.870 -0.038 0.000 1.220 310 L CA 0.035 54.810 54.840 -0.108 0.000 0.833 310 L CB 0.155 42.232 42.059 0.031 0.000 1.102 310 L HN 0.670 nan 8.230 nan 0.000 0.490 311 H N -0.384 118.705 119.070 0.032 0.000 2.545 311 H HA -0.094 4.462 4.556 -0.001 0.000 0.282 311 H C 1.984 177.343 175.328 0.053 0.000 1.020 311 H CA 0.943 57.013 56.048 0.037 0.000 1.243 311 H CB 0.308 30.083 29.762 0.022 0.000 1.377 311 H HN 0.736 nan 8.280 nan 0.000 0.581 312 S N -1.067 114.736 115.700 0.172 0.000 2.527 312 S HA 0.080 4.550 4.470 0.000 0.000 0.222 312 S C 2.022 176.691 174.600 0.116 0.000 0.985 312 S CA 0.338 58.618 58.200 0.134 0.000 0.921 312 S CB 0.206 63.485 63.200 0.132 0.000 0.772 312 S HN 0.606 nan 8.310 nan 0.000 0.529 313 G N 1.048 109.921 108.800 0.120 0.000 2.189 313 G HA2 -0.351 3.609 3.960 0.000 0.000 0.267 313 G HA3 -0.351 3.609 3.960 0.000 0.000 0.267 313 G C 0.981 175.943 174.900 0.103 0.000 0.975 313 G CA 0.681 45.846 45.100 0.108 0.000 0.644 313 G HN 0.711 nan 8.290 nan 0.000 0.537 314 S N -0.628 115.143 115.700 0.118 0.000 2.357 314 S HA 0.244 4.714 4.470 0.000 0.000 0.221 314 S C 0.670 175.341 174.600 0.118 0.000 1.031 314 S CA 1.308 59.577 58.200 0.115 0.000 0.982 314 S CB 0.250 63.530 63.200 0.134 0.000 0.853 314 S HN 0.615 nan 8.310 nan 0.000 0.458 315 D N -0.455 120.040 120.400 0.158 0.000 2.896 315 D HA 0.583 5.223 4.640 0.000 0.000 0.241 315 D C -1.158 175.242 176.300 0.167 0.000 1.188 315 D CA -0.228 53.861 54.000 0.149 0.000 0.879 315 D CB 1.387 42.305 40.800 0.196 0.000 1.553 315 D HN 0.021 nan 8.370 nan 0.000 0.515 316 M N 2.545 122.176 119.600 0.051 0.000 2.578 316 M HA 0.663 5.143 4.480 0.000 0.000 0.321 316 M C -1.412 174.809 176.300 -0.132 0.000 1.182 316 M CA -0.826 54.499 55.300 0.041 0.000 0.965 316 M CB 2.012 34.633 32.600 0.035 0.000 1.694 316 M HN 0.182 nan 8.290 nan 0.000 0.461 317 V N 2.758 122.604 119.914 -0.114 0.000 2.668 317 V HA 0.354 4.474 4.120 0.000 0.000 0.304 317 V C -0.904 175.149 176.094 -0.067 0.000 1.071 317 V CA -0.843 61.325 62.300 -0.220 0.000 0.894 317 V CB 1.920 33.425 31.823 -0.530 0.000 1.008 317 V HN 0.835 nan 8.190 nan 0.000 0.425 318 Q N 1.915 121.675 119.800 -0.066 0.000 2.193 318 Q HA 0.896 5.236 4.340 0.000 0.000 0.246 318 Q C -0.331 175.647 176.000 -0.037 0.000 0.959 318 Q CA -0.401 55.386 55.803 -0.026 0.000 0.904 318 Q CB 2.246 30.972 28.738 -0.020 0.000 1.238 318 Q HN 1.044 nan 8.270 nan 0.000 0.469 319 A N 1.554 124.364 122.820 -0.018 0.000 2.590 319 A HA 0.454 4.775 4.320 0.000 0.000 0.296 319 A C -1.887 175.687 177.584 -0.016 0.000 1.050 319 A CA -0.658 51.366 52.037 -0.021 0.000 0.697 319 A CB 1.630 20.616 19.000 -0.024 0.000 1.277 319 A HN 0.715 nan 8.150 nan 0.000 0.411 320 E N 1.100 121.292 120.200 -0.014 0.000 2.291 320 E HA 0.571 4.921 4.350 0.000 0.000 0.276 320 E C -0.938 175.657 176.600 -0.008 0.000 0.896 320 E CA -0.791 55.604 56.400 -0.009 0.000 0.774 320 E CB 1.574 31.286 29.700 0.021 0.000 1.227 320 E HN 0.711 nan 8.360 nan 0.000 0.413 321 R N 2.494 122.982 120.500 -0.021 0.000 2.265 321 R HA 0.394 4.734 4.340 0.000 0.000 0.314 321 R C -1.237 175.079 176.300 0.027 0.000 1.053 321 R CA 0.042 56.138 56.100 -0.007 0.000 0.931 321 R CB 1.234 31.521 30.300 -0.022 0.000 1.024 321 R HN 0.457 nan 8.270 nan 0.000 0.457 322 S N 2.206 117.927 115.700 0.034 0.000 2.718 322 S HA 0.572 5.042 4.470 0.000 0.000 0.300 322 S C -0.195 174.441 174.600 0.061 0.000 1.117 322 S CA -0.455 57.775 58.200 0.050 0.000 1.002 322 S CB 1.631 64.821 63.200 -0.017 0.000 1.092 322 S HN 0.944 nan 8.310 nan 0.000 0.542 323 G N 1.089 109.931 108.800 0.070 0.000 2.332 323 G HA2 -0.240 3.720 3.960 0.000 0.000 0.277 323 G HA3 -0.240 3.720 3.960 0.000 0.000 0.277 323 G C -0.303 174.654 174.900 0.095 0.000 0.884 323 G CA 0.106 45.253 45.100 0.077 0.000 1.251 323 G HN 0.561 nan 8.290 nan 0.000 0.462 324 I N 1.838 122.479 120.570 0.118 0.000 2.371 324 I HA 0.246 4.416 4.170 0.000 0.000 0.290 324 I C -1.805 174.412 176.117 0.166 0.000 1.028 324 I CA -2.331 59.049 61.300 0.134 0.000 1.345 324 I CB 1.504 39.576 38.000 0.121 0.000 1.407 324 I HN 0.019 nan 8.210 nan 0.000 0.501 325 P HA 0.250 nan 4.420 nan 0.000 0.279 325 P C -0.623 176.826 177.300 0.248 0.000 1.239 325 P CA -0.180 63.031 63.100 0.185 0.000 0.789 325 P CB 0.597 32.388 31.700 0.151 0.000 0.933 326 I N 3.413 124.110 120.570 0.211 0.000 2.301 326 I HA 0.275 4.445 4.170 0.000 0.000 0.292 326 I C 0.281 176.506 176.117 0.180 0.000 1.046 326 I CA -0.499 60.945 61.300 0.241 0.000 1.282 326 I CB 0.537 38.661 38.000 0.206 0.000 1.409 326 I HN 0.105 nan 8.210 nan 0.000 0.484 327 V N 1.526 121.563 119.914 0.205 0.000 3.007 327 V HA 0.513 4.633 4.120 0.000 0.000 0.311 327 V C 0.547 176.761 176.094 0.200 0.000 1.120 327 V CA -0.501 61.887 62.300 0.146 0.000 0.980 327 V CB 1.464 33.322 31.823 0.059 0.000 1.033 327 V HN 0.739 nan 8.190 nan 0.000 0.429 328 T N -1.873 112.777 114.554 0.159 0.000 3.037 328 T HA 0.239 4.589 4.350 0.000 0.000 0.252 328 T C 0.814 175.656 174.700 0.236 0.000 1.073 328 T CA 0.788 63.034 62.100 0.243 0.000 1.091 328 T CB 0.151 69.103 68.868 0.140 0.000 0.935 328 T HN 1.042 nan 8.240 nan 0.000 0.488 329 S N 0.999 116.720 115.700 0.036 0.000 2.536 329 S HA 0.552 5.022 4.470 0.000 0.000 0.287 329 S C -2.365 172.012 174.600 -0.370 0.000 1.101 329 S CA -1.587 56.537 58.200 -0.127 0.000 0.950 329 S CB 1.922 65.063 63.200 -0.097 0.000 1.056 329 S HN -0.145 nan 8.310 nan 0.000 0.481 330 P HA 0.050 nan 4.420 nan 0.000 0.217 330 P C -0.708 176.012 177.300 -0.967 0.000 1.150 330 P CA 1.241 63.596 63.100 -1.242 0.000 0.832 330 P CB -0.015 30.891 31.700 -1.325 0.000 0.787 331 Y N -1.420 118.673 120.300 -0.345 0.000 2.496 331 Y HA 0.549 5.099 4.550 0.000 0.000 0.331 331 Y C 0.965 176.711 175.900 -0.258 0.000 1.140 331 Y CA -0.824 57.111 58.100 -0.276 0.000 1.166 331 Y CB 0.864 39.185 38.460 -0.232 0.000 1.249 331 Y HN -0.245 nan 8.280 nan 0.000 0.479 332 Q N 1.132 120.867 119.800 -0.108 0.000 2.359 332 Q HA 0.707 5.047 4.340 0.000 0.000 0.275 332 Q C -1.483 174.270 176.000 -0.412 0.000 1.082 332 Q CA -0.925 54.729 55.803 -0.250 0.000 0.849 332 Q CB 2.662 31.278 28.738 -0.203 0.000 1.377 332 Q HN 0.607 nan 8.270 nan 0.000 0.452 333 I N 2.049 122.229 120.570 -0.649 0.000 2.478 333 I HA 0.363 4.533 4.170 0.000 0.000 0.287 333 I C -1.116 174.448 176.117 -0.921 0.000 1.042 333 I CA -0.658 60.240 61.300 -0.671 0.000 1.067 333 I CB 1.352 39.059 38.000 -0.489 0.000 1.233 333 I HN 0.485 nan 8.210 nan 0.000 0.431 334 H N 6.236 125.084 119.070 -0.371 0.000 2.600 334 H HA 0.354 4.910 4.556 0.000 0.000 0.357 334 H C -0.753 174.417 175.328 -0.264 0.000 1.106 334 H CA -0.581 55.317 56.048 -0.249 0.000 1.193 334 H CB 2.231 32.056 29.762 0.105 0.000 1.594 334 H HN 0.447 nan 8.280 nan 0.000 0.526 335 F N 0.594 120.641 119.950 0.162 0.000 2.668 335 F HA 0.036 4.563 4.527 0.000 0.000 0.301 335 F C 2.016 177.837 175.800 0.035 0.000 1.106 335 F CA -0.203 57.839 58.000 0.069 0.000 1.289 335 F CB 0.229 39.255 39.000 0.043 0.000 1.006 335 F HN 0.462 nan 8.300 nan 0.000 0.535 336 T N -3.818 110.838 114.554 0.171 0.000 3.148 336 T HA 0.029 4.379 4.350 0.000 0.000 0.253 336 T C 1.409 176.054 174.700 -0.092 0.000 1.134 336 T CA 0.542 62.676 62.100 0.058 0.000 1.051 336 T CB -0.137 68.754 68.868 0.037 0.000 0.959 336 T HN 0.197 nan 8.240 nan 0.000 0.525 337 K N 0.499 120.805 120.400 -0.157 0.000 2.358 337 K HA 0.197 4.517 4.320 0.000 0.000 0.200 337 K C -0.117 176.337 176.600 -0.244 0.000 1.030 337 K CA -0.022 56.038 56.287 -0.379 0.000 1.097 337 K CB 0.863 33.047 32.500 -0.525 0.000 0.862 337 K HN 0.202 nan 8.250 nan 0.000 0.534 338 T N 2.832 117.350 114.554 -0.060 0.000 2.824 338 T HA 0.294 4.644 4.350 0.000 0.000 0.280 338 T C -2.568 172.167 174.700 0.059 0.000 0.995 338 T CA -1.790 60.306 62.100 -0.007 0.000 1.009 338 T CB 1.919 70.820 68.868 0.055 0.000 0.955 338 T HN -0.127 nan 8.240 nan 0.000 0.452 339 P HA 0.187 nan 4.420 nan 0.000 0.272 339 P C 0.190 177.537 177.300 0.078 0.000 1.248 339 P CA -0.328 62.851 63.100 0.131 0.000 0.799 339 P CB 0.485 32.328 31.700 0.237 0.000 0.997 340 K N 0.028 120.356 120.400 -0.120 0.000 2.646 340 K HA 0.284 4.604 4.320 0.000 0.000 0.206 340 K C -0.957 175.344 176.600 -0.499 0.000 1.069 340 K CA -0.121 55.975 56.287 -0.318 0.000 1.067 340 K CB 0.049 32.285 32.500 -0.439 0.000 0.807 340 K HN 0.433 nan 8.250 nan 0.000 0.482 341 Y N 0.245 120.551 120.300 0.009 0.000 2.390 341 Y HA 0.300 4.851 4.550 0.000 0.000 0.324 341 Y C -0.303 175.516 175.900 -0.135 0.000 1.151 341 Y CA -2.222 55.863 58.100 -0.025 0.000 1.053 341 Y CB 0.857 39.331 38.460 0.023 0.000 1.277 341 Y HN 0.036 nan 8.280 nan 0.000 0.432 342 F N 0.161 119.945 119.950 -0.277 0.000 2.631 342 F HA 0.970 5.498 4.527 0.000 0.000 0.350 342 F C -1.163 174.468 175.800 -0.282 0.000 1.080 342 F CA -1.493 56.230 58.000 -0.462 0.000 1.026 342 F CB 1.373 39.894 39.000 -0.797 0.000 1.347 342 F HN 0.115 nan 8.300 nan 0.000 0.501 343 K N 1.598 121.695 120.400 -0.505 0.000 2.339 343 K HA 0.454 4.775 4.320 0.000 0.000 0.264 343 K C -2.889 173.374 176.600 -0.561 0.000 0.986 343 K CA -2.128 53.702 56.287 -0.762 0.000 0.866 343 K CB 1.162 33.277 32.500 -0.643 0.000 1.103 343 K HN 0.240 nan 8.250 nan 0.000 0.441 344 P HA 0.031 nan 4.420 nan 0.000 0.264 344 P C 0.783 178.067 177.300 -0.028 0.000 1.193 344 P CA 0.748 63.782 63.100 -0.111 0.000 0.763 344 P CB 0.868 32.506 31.700 -0.103 0.000 0.810 345 G N 2.332 111.193 108.800 0.102 0.000 2.317 345 G HA2 -0.240 3.721 3.960 0.000 0.000 0.227 345 G HA3 -0.240 3.721 3.960 0.000 0.000 0.227 345 G C 0.170 175.097 174.900 0.044 0.000 1.042 345 G CA -0.237 44.916 45.100 0.088 0.000 0.623 345 G HN 0.466 nan 8.290 nan 0.000 0.509 346 M N 1.793 121.382 119.600 -0.018 0.000 2.274 346 M HA 0.376 4.856 4.480 0.000 0.000 0.344 346 M C -2.484 173.771 176.300 -0.074 0.000 1.161 346 M CA -1.585 53.668 55.300 -0.080 0.000 1.126 346 M CB 0.767 33.238 32.600 -0.215 0.000 1.522 346 M HN -0.082 nan 8.290 nan 0.000 0.461 347 P HA 0.044 nan 4.420 nan 0.000 0.268 347 P C -1.128 176.174 177.300 0.003 0.000 1.204 347 P CA 0.106 63.201 63.100 -0.009 0.000 0.768 347 P CB 0.185 31.904 31.700 0.031 0.000 0.842 348 F N 3.559 123.449 119.950 -0.101 0.000 2.411 348 F HA 0.296 4.823 4.527 0.000 0.000 0.352 348 F C -0.358 175.425 175.800 -0.028 0.000 1.123 348 F CA -1.431 56.528 58.000 -0.068 0.000 1.044 348 F CB 0.572 39.524 39.000 -0.080 0.000 1.135 348 F HN 0.154 nan 8.300 nan 0.000 0.461 349 D N 6.741 126.958 120.400 -0.304 0.000 2.336 349 D HA 0.246 4.886 4.640 0.000 0.000 0.249 349 D C -0.538 175.343 176.300 -0.697 0.000 1.213 349 D CA 0.175 53.957 54.000 -0.364 0.000 0.870 349 D CB 0.912 41.620 40.800 -0.154 0.000 1.076 349 D HN 0.334 nan 8.370 nan 0.000 0.483 350 L N 3.025 123.907 121.223 -0.568 0.000 2.265 350 L HA 0.269 4.609 4.340 0.000 0.000 0.288 350 L C 0.367 177.094 176.870 -0.239 0.000 1.058 350 L CA -0.073 54.477 54.840 -0.483 0.000 0.809 350 L CB 0.842 42.712 42.059 -0.316 0.000 1.179 350 L HN 0.198 nan 8.230 nan 0.000 0.429 351 M N 4.737 124.226 119.600 -0.186 0.000 2.754 351 M HA 0.266 4.747 4.480 0.000 0.000 0.327 351 M C -0.700 175.599 176.300 -0.003 0.000 1.288 351 M CA -0.390 54.842 55.300 -0.112 0.000 1.324 351 M CB 0.543 33.041 32.600 -0.171 0.000 1.169 351 M HN 0.129 nan 8.290 nan 0.000 0.494 352 V N 3.314 123.245 119.914 0.028 0.000 2.583 352 V HA 0.222 4.342 4.120 0.000 0.000 0.287 352 V C -0.275 175.881 176.094 0.103 0.000 1.051 352 V CA -0.336 62.006 62.300 0.071 0.000 1.010 352 V CB 1.021 32.860 31.823 0.028 0.000 0.988 352 V HN 0.495 nan 8.190 nan 0.000 0.478 353 F N 5.664 125.563 119.950 -0.084 0.000 2.388 353 F HA 0.614 5.141 4.527 0.000 0.000 0.358 353 F C -0.233 175.552 175.800 -0.025 0.000 1.122 353 F CA -1.103 56.871 58.000 -0.043 0.000 1.056 353 F CB 1.429 40.425 39.000 -0.007 0.000 1.155 353 F HN 0.207 nan 8.300 nan 0.000 0.461 354 V N 5.720 125.441 119.914 -0.322 0.000 2.304 354 V HA 0.304 4.424 4.120 0.000 0.000 0.278 354 V C -0.144 175.697 176.094 -0.422 0.000 1.018 354 V CA -0.581 61.510 62.300 -0.349 0.000 0.814 354 V CB 1.270 32.950 31.823 -0.238 0.000 1.021 354 V HN 0.845 nan 8.190 nan 0.000 0.440 355 T N 1.600 115.899 114.554 -0.425 0.000 2.875 355 T HA 0.450 4.800 4.350 0.000 0.000 0.284 355 T C 0.207 174.839 174.700 -0.112 0.000 0.995 355 T CA -0.814 61.100 62.100 -0.311 0.000 1.060 355 T CB 1.214 69.926 68.868 -0.259 0.000 0.967 355 T HN 0.413 nan 8.240 nan 0.000 0.476 356 N N 2.760 121.423 118.700 -0.062 0.000 2.260 356 N HA 0.128 4.868 4.740 0.000 0.000 0.230 356 N C -1.579 173.876 175.510 -0.090 0.000 1.323 356 N CA -1.513 51.495 53.050 -0.070 0.000 0.897 356 N CB 0.322 38.801 38.487 -0.014 0.000 1.146 356 N HN 0.400 nan 8.380 nan 0.000 0.460 357 P HA -0.145 nan 4.420 nan 0.000 0.213 357 P C 0.703 178.006 177.300 0.005 0.000 1.170 357 P CA 1.490 64.542 63.100 -0.080 0.000 0.898 357 P CB 0.004 31.656 31.700 -0.080 0.000 0.787 358 D N -0.916 119.510 120.400 0.042 0.000 2.303 358 D HA -0.194 4.447 4.640 0.000 0.000 0.190 358 D C 1.659 177.984 176.300 0.040 0.000 1.011 358 D CA 2.631 56.664 54.000 0.055 0.000 0.860 358 D CB -1.337 39.502 40.800 0.066 0.000 0.961 358 D HN 0.381 nan 8.370 nan 0.000 0.453 359 G N -1.492 107.324 108.800 0.028 0.000 4.080 359 G HA2 -0.004 3.956 3.960 0.000 0.000 0.219 359 G HA3 -0.004 3.956 3.960 0.000 0.000 0.219 359 G C 0.075 174.986 174.900 0.018 0.000 0.843 359 G CA 0.405 45.519 45.100 0.025 0.000 0.856 359 G HN 0.794 nan 8.290 nan 0.000 0.616 360 S N 2.398 118.112 115.700 0.023 0.000 2.549 360 S HA 0.532 5.002 4.470 0.000 0.000 0.283 360 S C -2.016 172.581 174.600 -0.004 0.000 1.320 360 S CA -0.806 57.415 58.200 0.035 0.000 1.058 360 S CB 1.291 64.519 63.200 0.047 0.000 0.882 360 S HN 0.186 nan 8.310 nan 0.000 0.498 361 P HA 0.152 nan 4.420 nan 0.000 0.262 361 P C -0.808 176.514 177.300 0.037 0.000 1.182 361 P CA 0.062 63.167 63.100 0.010 0.000 0.761 361 P CB 0.263 32.041 31.700 0.130 0.000 0.795 362 A N 4.568 127.396 122.820 0.014 0.000 2.260 362 A HA 0.364 4.684 4.320 0.000 0.000 0.314 362 A C -0.751 176.894 177.584 0.101 0.000 1.257 362 A CA -0.750 51.335 52.037 0.079 0.000 0.871 362 A CB 0.170 19.237 19.000 0.111 0.000 1.166 362 A HN 0.601 nan 8.150 nan 0.000 0.522 363 Y N 2.380 122.683 120.300 0.006 0.000 2.301 363 Y HA 0.421 4.971 4.550 -0.000 0.000 0.325 363 Y C 1.258 177.141 175.900 -0.028 0.000 1.203 363 Y CA 0.102 58.196 58.100 -0.010 0.000 1.255 363 Y CB 0.487 38.950 38.460 0.005 0.000 1.232 363 Y HN 0.915 nan 8.280 nan 0.000 0.501 364 R N 1.812 121.769 120.500 -0.905 0.000 3.951 364 R HA -0.185 4.155 4.340 0.000 0.000 0.352 364 R C -1.029 175.019 176.300 -0.421 0.000 1.178 364 R CA 0.717 56.293 56.100 -0.874 0.000 0.949 364 R CB -1.669 28.033 30.300 -0.997 0.000 1.452 364 R HN 0.421 nan 8.270 nan 0.000 0.540 365 V N 2.384 122.095 119.914 -0.338 0.000 2.488 365 V HA 0.376 4.496 4.120 0.000 0.000 0.277 365 V C -1.823 174.088 176.094 -0.304 0.000 1.046 365 V CA -1.631 60.449 62.300 -0.367 0.000 0.986 365 V CB 1.201 32.703 31.823 -0.533 0.000 0.989 365 V HN -0.007 nan 8.190 nan 0.000 0.475 366 P HA 0.313 nan 4.420 nan 0.000 0.275 366 P C -0.879 176.302 177.300 -0.199 0.000 1.227 366 P CA 0.165 63.144 63.100 -0.202 0.000 0.781 366 P CB 1.423 33.023 31.700 -0.166 0.000 0.906 367 V N -1.028 118.797 119.914 -0.148 0.000 3.049 367 V HA 0.987 5.107 4.120 0.000 0.000 0.309 367 V C -1.171 174.872 176.094 -0.086 0.000 1.148 367 V CA -1.051 61.176 62.300 -0.123 0.000 0.990 367 V CB 1.578 33.330 31.823 -0.118 0.000 1.039 367 V HN 0.871 nan 8.190 nan 0.000 0.430 368 A N 2.139 124.919 122.820 -0.066 0.000 2.564 368 A HA 0.914 5.234 4.320 0.000 0.000 0.291 368 A C -0.968 176.597 177.584 -0.032 0.000 1.102 368 A CA -0.226 51.781 52.037 -0.051 0.000 0.660 368 A CB 1.304 20.271 19.000 -0.054 0.000 1.283 368 A HN 1.745 nan 8.150 nan 0.000 0.430 369 V N 0.330 120.225 119.914 -0.031 0.000 3.234 369 V HA 0.318 4.438 4.120 0.000 0.000 0.317 369 V C 1.722 177.801 176.094 -0.025 0.000 1.081 369 V CA 0.190 62.477 62.300 -0.021 0.000 1.037 369 V CB 1.356 33.159 31.823 -0.033 0.000 1.148 369 V HN 1.126 nan 8.190 nan 0.000 0.453 370 Q N 1.966 121.753 119.800 -0.021 0.000 1.935 370 Q HA -0.157 4.183 4.340 0.000 0.000 0.212 370 Q C 1.910 177.893 176.000 -0.028 0.000 1.008 370 Q CA 2.779 58.568 55.803 -0.022 0.000 0.868 370 Q CB -1.328 27.397 28.738 -0.022 0.000 0.946 370 Q HN 0.945 nan 8.270 nan 0.000 0.418 371 G N 0.445 109.224 108.800 -0.035 0.000 2.628 371 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 371 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 371 G C -0.006 174.874 174.900 -0.033 0.000 1.240 371 G CA 0.889 45.967 45.100 -0.035 0.000 0.792 371 G HN 0.463 nan 8.290 nan 0.000 0.593 372 E N 1.101 121.278 120.200 -0.038 0.000 2.200 372 E HA 0.176 4.526 4.350 0.000 0.000 0.283 372 E C 0.068 176.648 176.600 -0.034 0.000 1.015 372 E CA -0.416 55.963 56.400 -0.036 0.000 0.819 372 E CB 1.524 31.200 29.700 -0.040 0.000 1.081 372 E HN 0.223 nan 8.360 nan 0.000 0.397 373 D N 1.429 121.811 120.400 -0.030 0.000 2.183 373 D HA -0.115 4.525 4.640 0.000 0.000 0.203 373 D C 1.666 177.946 176.300 -0.033 0.000 0.969 373 D CA 1.118 55.100 54.000 -0.031 0.000 0.842 373 D CB -0.014 40.770 40.800 -0.026 0.000 0.957 373 D HN 0.362 nan 8.370 nan 0.000 0.484 374 T N 0.088 114.624 114.554 -0.031 0.000 2.942 374 T HA -0.040 4.311 4.350 0.000 0.000 0.265 374 T C 0.887 175.566 174.700 -0.035 0.000 1.062 374 T CA 0.084 62.165 62.100 -0.030 0.000 1.139 374 T CB -0.085 68.767 68.868 -0.026 0.000 0.883 374 T HN -0.044 nan 8.240 nan 0.000 0.468 375 V N 2.776 122.667 119.914 -0.038 0.000 2.450 375 V HA 0.355 4.475 4.120 0.000 0.000 0.281 375 V C -0.512 175.553 176.094 -0.048 0.000 1.019 375 V CA 0.128 62.402 62.300 -0.042 0.000 1.062 375 V CB 0.468 32.264 31.823 -0.045 0.000 0.979 375 V HN 0.478 nan 8.190 nan 0.000 0.477 376 Q N 4.397 124.166 119.800 -0.051 0.000 2.495 376 Q HA 0.750 5.090 4.340 0.000 0.000 0.287 376 Q C -1.215 174.747 176.000 -0.063 0.000 1.078 376 Q CA -0.601 55.165 55.803 -0.061 0.000 0.793 376 Q CB 2.591 31.291 28.738 -0.063 0.000 1.459 376 Q HN 0.969 nan 8.270 nan 0.000 0.422 377 S N 0.414 116.069 115.700 -0.075 0.000 2.570 377 S HA 0.456 4.926 4.470 0.000 0.000 0.286 377 S C -1.333 173.211 174.600 -0.093 0.000 1.143 377 S CA -0.685 57.471 58.200 -0.074 0.000 0.921 377 S CB 0.693 63.855 63.200 -0.065 0.000 1.108 377 S HN 0.382 nan 8.310 nan 0.000 0.456 378 L N 2.075 123.240 121.223 -0.098 0.000 2.598 378 L HA 0.595 4.936 4.340 0.000 0.000 0.202 378 L C 0.901 177.708 176.870 -0.106 0.000 1.190 378 L CA 0.134 54.894 54.840 -0.134 0.000 0.869 378 L CB 0.249 42.209 42.059 -0.165 0.000 1.529 378 L HN 0.897 nan 8.230 nan 0.000 0.520 379 T N -0.036 114.443 114.554 -0.125 0.000 2.833 379 T HA 0.405 4.755 4.350 0.000 0.000 0.297 379 T C -0.250 174.519 174.700 0.115 0.000 1.015 379 T CA -0.692 61.389 62.100 -0.032 0.000 0.963 379 T CB 0.959 69.791 68.868 -0.059 0.000 0.955 379 T HN 0.345 nan 8.240 nan 0.000 0.449 380 Q N 1.145 121.038 119.800 0.155 0.000 2.651 380 Q HA 0.267 4.608 4.340 0.000 0.000 0.224 380 Q C 1.802 177.965 176.000 0.271 0.000 1.094 380 Q CA -0.177 55.781 55.803 0.259 0.000 1.018 380 Q CB 0.284 29.086 28.738 0.107 0.000 1.292 380 Q HN 0.871 nan 8.270 nan 0.000 0.588 381 G N 0.957 109.785 108.800 0.047 0.000 2.601 381 G HA2 -0.224 3.737 3.960 0.000 0.000 0.214 381 G HA3 -0.224 3.737 3.960 0.000 0.000 0.214 381 G C 0.257 175.158 174.900 0.001 0.000 1.132 381 G CA 1.002 46.015 45.100 -0.146 0.000 0.761 381 G HN 0.737 nan 8.290 nan 0.000 0.550 382 D N -1.368 119.072 120.400 0.067 0.000 2.402 382 D HA 0.219 4.859 4.640 0.000 0.000 0.216 382 D C 1.439 177.846 176.300 0.177 0.000 1.128 382 D CA -0.170 53.882 54.000 0.087 0.000 0.833 382 D CB -0.553 40.271 40.800 0.041 0.000 0.971 382 D HN 0.265 nan 8.370 nan 0.000 0.503 383 G N 0.043 108.946 108.800 0.172 0.000 2.273 383 G HA2 -0.203 3.757 3.960 0.000 0.000 0.280 383 G HA3 -0.203 3.757 3.960 0.000 0.000 0.280 383 G C -0.121 174.914 174.900 0.225 0.000 1.047 383 G CA 0.490 45.686 45.100 0.160 0.000 0.869 383 G HN 0.399 nan 8.290 nan 0.000 0.502 384 V N -0.554 119.449 119.914 0.149 0.000 2.735 384 V HA 0.896 5.016 4.120 0.000 0.000 0.310 384 V C 0.279 176.392 176.094 0.031 0.000 1.061 384 V CA -0.348 62.013 62.300 0.101 0.000 0.913 384 V CB 2.060 33.905 31.823 0.037 0.000 1.005 384 V HN 1.326 nan 8.190 nan 0.000 0.428 385 A N 3.476 126.297 122.820 0.001 0.000 2.343 385 A HA 0.792 5.112 4.320 0.000 0.000 0.308 385 A C -0.695 176.857 177.584 -0.053 0.000 1.092 385 A CA -0.779 51.237 52.037 -0.033 0.000 0.751 385 A CB 1.349 20.317 19.000 -0.054 0.000 1.203 385 A HN 0.803 nan 8.150 nan 0.000 0.452 386 K N 3.179 123.542 120.400 -0.062 0.000 2.264 386 K HA 0.646 4.967 4.320 0.000 0.000 0.277 386 K C -1.530 175.019 176.600 -0.085 0.000 1.067 386 K CA 0.113 56.350 56.287 -0.084 0.000 0.900 386 K CB 0.124 32.579 32.500 -0.076 0.000 1.124 386 K HN 0.609 nan 8.250 nan 0.000 0.469 387 L N 3.517 124.676 121.223 -0.106 0.000 2.365 387 L HA 0.500 4.841 4.340 0.000 0.000 0.273 387 L C -0.760 176.030 176.870 -0.133 0.000 1.000 387 L CA -0.764 54.016 54.840 -0.100 0.000 0.819 387 L CB 2.305 44.313 42.059 -0.086 0.000 1.284 387 L HN 0.847 nan 8.230 nan 0.000 0.418 388 S N 3.487 119.128 115.700 -0.098 0.000 2.519 388 S HA 0.754 5.224 4.470 0.000 0.000 0.309 388 S C -0.648 173.916 174.600 -0.060 0.000 1.100 388 S CA -0.760 57.385 58.200 -0.093 0.000 1.059 388 S CB 1.496 64.663 63.200 -0.055 0.000 1.008 388 S HN 0.529 nan 8.310 nan 0.000 0.478 389 I N 0.090 120.635 120.570 -0.043 0.000 2.404 389 I HA 0.535 4.705 4.170 0.000 0.000 0.293 389 I C -0.582 175.525 176.117 -0.016 0.000 0.992 389 I CA -1.010 60.269 61.300 -0.035 0.000 1.149 389 I CB 1.465 39.437 38.000 -0.046 0.000 1.315 389 I HN 0.502 nan 8.210 nan 0.000 0.446 390 N N 4.378 123.053 118.700 -0.041 0.000 2.442 390 N HA 0.089 4.829 4.740 0.000 0.000 0.265 390 N C -0.177 175.281 175.510 -0.085 0.000 1.138 390 N CA -0.004 53.023 53.050 -0.038 0.000 0.956 390 N CB 1.482 39.950 38.487 -0.032 0.000 1.067 390 N HN 0.746 nan 8.380 nan 0.000 0.474 391 T N 1.402 115.933 114.554 -0.039 0.000 2.934 391 T HA 0.131 4.481 4.350 0.000 0.000 0.283 391 T C -0.295 174.433 174.700 0.045 0.000 1.005 391 T CA -0.514 61.552 62.100 -0.057 0.000 1.041 391 T CB 0.581 69.455 68.868 0.010 0.000 1.042 391 T HN 0.350 nan 8.240 nan 0.000 0.505 392 H N 3.439 122.539 119.070 0.050 0.000 2.548 392 H HA 0.291 4.847 4.556 0.000 0.000 0.331 392 H C -1.746 173.643 175.328 0.102 0.000 1.093 392 H CA -2.117 53.968 56.048 0.062 0.000 1.367 392 H CB 1.345 31.130 29.762 0.038 0.000 1.455 392 H HN 0.432 nan 8.280 nan 0.000 0.519 393 P HA -0.042 nan 4.420 nan 0.000 0.246 393 P C -0.444 176.917 177.300 0.103 0.000 1.675 393 P CA 0.059 63.238 63.100 0.131 0.000 0.908 393 P CB -0.582 31.178 31.700 0.101 0.000 1.890 394 S N -0.086 115.696 115.700 0.137 0.000 2.449 394 S HA 0.256 4.726 4.470 0.000 0.000 0.310 394 S C 0.536 175.201 174.600 0.107 0.000 1.096 394 S CA -0.715 57.546 58.200 0.101 0.000 1.095 394 S CB 1.239 64.500 63.200 0.102 0.000 1.007 394 S HN -0.091 nan 8.310 nan 0.000 0.474 395 Q N 2.277 122.117 119.800 0.065 0.000 2.800 395 Q HA 0.191 4.531 4.340 0.000 0.000 0.261 395 Q C -0.375 175.662 176.000 0.062 0.000 1.093 395 Q CA 0.460 56.291 55.803 0.047 0.000 0.943 395 Q CB -0.639 28.113 28.738 0.023 0.000 1.591 395 Q HN 0.681 nan 8.270 nan 0.000 0.429 396 K N 1.056 121.519 120.400 0.106 0.000 2.345 396 K HA 0.421 4.742 4.320 0.000 0.000 0.255 396 K C -2.635 174.055 176.600 0.149 0.000 0.934 396 K CA -2.130 54.217 56.287 0.100 0.000 0.801 396 K CB 1.578 34.126 32.500 0.079 0.000 1.137 396 K HN -0.099 nan 8.250 nan 0.000 0.424 397 P HA -0.115 nan 4.420 nan 0.000 0.263 397 P C -1.181 176.157 177.300 0.063 0.000 1.175 397 P CA -0.172 63.006 63.100 0.130 0.000 0.761 397 P CB 0.344 32.090 31.700 0.076 0.000 0.794 398 L N 3.345 124.564 121.223 -0.006 0.000 2.272 398 L HA 0.369 4.709 4.340 0.000 0.000 0.284 398 L C 0.017 176.763 176.870 -0.207 0.000 1.045 398 L CA -0.062 54.632 54.840 -0.243 0.000 0.842 398 L CB 0.481 42.071 42.059 -0.782 0.000 1.224 398 L HN 0.166 nan 8.230 nan 0.000 0.430 399 S N 5.166 120.786 115.700 -0.133 0.000 2.489 399 S HA 0.682 5.152 4.470 0.000 0.000 0.277 399 S C -0.255 174.263 174.600 -0.136 0.000 1.230 399 S CA -0.451 57.680 58.200 -0.116 0.000 1.053 399 S CB -0.019 63.143 63.200 -0.064 0.000 0.955 399 S HN 0.464 nan 8.310 nan 0.000 0.488 400 I N 3.930 124.398 120.570 -0.169 0.000 2.530 400 I HA 0.449 4.620 4.170 0.000 0.000 0.297 400 I C -0.027 176.020 176.117 -0.117 0.000 1.011 400 I CA -0.260 60.947 61.300 -0.155 0.000 1.107 400 I CB 2.326 40.212 38.000 -0.190 0.000 1.285 400 I HN 0.435 nan 8.210 nan 0.000 0.436 401 T N 4.290 118.827 114.554 -0.028 0.000 2.937 401 T HA 0.601 4.951 4.350 0.000 0.000 0.297 401 T C -0.382 174.374 174.700 0.094 0.000 0.991 401 T CA -0.509 61.631 62.100 0.068 0.000 0.990 401 T CB 1.414 70.307 68.868 0.041 0.000 0.991 401 T HN 0.227 nan 8.240 nan 0.000 0.440 402 V N 3.078 123.118 119.914 0.209 0.000 2.966 402 V HA 0.751 4.871 4.120 0.000 0.000 0.317 402 V C 0.202 176.316 176.094 0.032 0.000 1.070 402 V CA -1.012 61.358 62.300 0.118 0.000 1.008 402 V CB 1.849 33.774 31.823 0.171 0.000 1.070 402 V HN 0.829 nan 8.190 nan 0.000 0.457 403 R N 0.679 121.165 120.500 -0.022 0.000 2.566 403 R HA 0.442 4.782 4.340 0.000 0.000 0.271 403 R C -0.536 175.712 176.300 -0.088 0.000 1.071 403 R CA -0.385 55.683 56.100 -0.054 0.000 0.915 403 R CB 1.973 32.250 30.300 -0.038 0.000 1.228 403 R HN 0.918 nan 8.270 nan 0.000 0.449 404 T N 1.634 116.120 114.554 -0.113 0.000 2.855 404 T HA 0.234 4.584 4.350 0.000 0.000 0.314 404 T C 0.137 174.763 174.700 -0.124 0.000 1.077 404 T CA -0.457 61.546 62.100 -0.160 0.000 1.095 404 T CB 0.625 69.383 68.868 -0.183 0.000 0.987 404 T HN 0.397 nan 8.240 nan 0.000 0.546 405 K N 1.056 121.368 120.400 -0.147 0.000 3.350 405 K HA 0.249 4.569 4.320 0.000 0.000 0.167 405 K C -0.675 175.858 176.600 -0.111 0.000 1.058 405 K CA -0.604 55.619 56.287 -0.107 0.000 0.783 405 K CB 1.148 33.593 32.500 -0.092 0.000 0.872 405 K HN 0.628 nan 8.250 nan 0.000 0.561 406 K N 1.563 121.901 120.400 -0.103 0.000 2.227 406 K HA 0.182 4.503 4.320 0.000 0.000 0.280 406 K C -0.032 176.541 176.600 -0.045 0.000 1.041 406 K CA -0.083 56.156 56.287 -0.080 0.000 0.905 406 K CB 0.753 33.229 32.500 -0.041 0.000 1.068 406 K HN 0.115 nan 8.250 nan 0.000 0.470 407 Q N 2.892 122.665 119.800 -0.046 0.000 2.395 407 Q HA -0.018 4.322 4.340 0.000 0.000 0.271 407 Q C -0.390 175.595 176.000 -0.025 0.000 1.026 407 Q CA 0.880 56.662 55.803 -0.035 0.000 0.900 407 Q CB 0.395 29.111 28.738 -0.035 0.000 1.266 407 Q HN 0.811 nan 8.270 nan 0.000 0.430 408 E N -0.853 119.331 120.200 -0.027 0.000 4.129 408 E HA -0.219 4.131 4.350 0.000 0.000 0.354 408 E C -1.087 175.489 176.600 -0.040 0.000 0.673 408 E CA 0.148 56.532 56.400 -0.028 0.000 1.347 408 E CB -0.634 29.054 29.700 -0.019 0.000 1.722 408 E HN 0.297 nan 8.360 nan 0.000 0.410 409 L N 1.199 122.399 121.223 -0.040 0.000 2.334 409 L HA 0.355 4.695 4.340 0.000 0.000 0.276 409 L C 0.411 177.245 176.870 -0.059 0.000 1.014 409 L CA -0.195 54.608 54.840 -0.061 0.000 0.815 409 L CB 1.806 43.844 42.059 -0.036 0.000 1.268 409 L HN 0.054 nan 8.230 nan 0.000 0.428 410 S N 1.066 116.720 115.700 -0.075 0.000 2.592 410 S HA 0.220 4.690 4.470 0.000 0.000 0.271 410 S C 0.771 175.337 174.600 -0.056 0.000 1.326 410 S CA -0.735 57.429 58.200 -0.060 0.000 1.024 410 S CB 0.912 64.074 63.200 -0.063 0.000 0.921 410 S HN 0.551 nan 8.310 nan 0.000 0.527 411 E N 1.095 121.268 120.200 -0.045 0.000 2.401 411 E HA -0.104 4.246 4.350 0.000 0.000 0.199 411 E C 1.881 178.456 176.600 -0.042 0.000 1.023 411 E CA 1.073 57.448 56.400 -0.041 0.000 0.859 411 E CB -0.587 29.093 29.700 -0.034 0.000 0.780 411 E HN 0.794 nan 8.360 nan 0.000 0.523 412 A N 0.905 123.695 122.820 -0.049 0.000 1.935 412 A HA -0.071 4.250 4.320 0.000 0.000 0.214 412 A C 1.933 179.487 177.584 -0.050 0.000 1.178 412 A CA 0.514 52.520 52.037 -0.051 0.000 0.640 412 A CB -0.087 18.872 19.000 -0.069 0.000 0.825 412 A HN 0.105 nan 8.150 nan 0.000 0.447 413 E N 0.312 120.472 120.200 -0.067 0.000 2.338 413 E HA -0.077 4.273 4.350 0.000 0.000 0.197 413 E C 0.186 176.746 176.600 -0.067 0.000 1.007 413 E CA 0.230 56.575 56.400 -0.091 0.000 0.849 413 E CB 0.016 29.598 29.700 -0.196 0.000 0.774 413 E HN 0.599 nan 8.360 nan 0.000 0.506 414 Q N 0.054 119.828 119.800 -0.043 0.000 2.394 414 Q HA 0.356 4.696 4.340 0.000 0.000 0.248 414 Q C -0.386 175.596 176.000 -0.029 0.000 0.992 414 Q CA 0.040 55.830 55.803 -0.022 0.000 0.888 414 Q CB 1.403 30.120 28.738 -0.035 0.000 1.257 414 Q HN 0.020 nan 8.270 nan 0.000 0.462 415 A N 1.328 124.131 122.820 -0.029 0.000 2.342 415 A HA 0.681 5.002 4.320 0.000 0.000 0.323 415 A C -0.089 177.447 177.584 -0.080 0.000 1.125 415 A CA -0.401 51.602 52.037 -0.056 0.000 0.785 415 A CB 1.233 20.195 19.000 -0.064 0.000 1.221 415 A HN 0.753 nan 8.150 nan 0.000 0.463 416 T N -0.511 113.997 114.554 -0.076 0.000 2.888 416 T HA 0.902 5.252 4.350 0.000 0.000 0.288 416 T C -0.503 174.147 174.700 -0.083 0.000 1.063 416 T CA -0.828 61.231 62.100 -0.069 0.000 1.010 416 T CB 1.717 70.570 68.868 -0.024 0.000 1.214 416 T HN 1.014 nan 8.240 nan 0.000 0.533 417 R N -0.617 119.863 120.500 -0.034 0.000 2.687 417 R HA 0.602 4.943 4.340 0.000 0.000 0.265 417 R C -1.788 174.697 176.300 0.308 0.000 1.048 417 R CA -0.259 55.848 56.100 0.011 0.000 0.884 417 R CB 1.728 31.871 30.300 -0.263 0.000 1.258 417 R HN 0.947 nan 8.270 nan 0.000 0.469 418 T N 3.975 118.746 114.554 0.362 0.000 2.876 418 T HA 0.694 5.044 4.350 0.000 0.000 0.289 418 T C -0.532 174.313 174.700 0.241 0.000 1.014 418 T CA -0.739 61.536 62.100 0.291 0.000 0.986 418 T CB 1.177 70.108 68.868 0.104 0.000 1.021 418 T HN 0.620 nan 8.240 nan 0.000 0.458 419 M N 1.303 120.808 119.600 -0.158 0.000 2.691 419 M HA 0.742 5.222 4.480 0.000 0.000 0.293 419 M C -1.375 174.805 176.300 -0.200 0.000 1.259 419 M CA -1.044 54.110 55.300 -0.243 0.000 0.827 419 M CB 2.364 34.556 32.600 -0.680 0.000 1.753 419 M HN 0.418 nan 8.290 nan 0.000 0.465 420 Q N 1.100 120.821 119.800 -0.132 0.000 2.290 420 Q HA 0.751 5.091 4.340 0.000 0.000 0.269 420 Q C -1.901 174.053 176.000 -0.077 0.000 1.016 420 Q CA -0.478 55.270 55.803 -0.091 0.000 0.754 420 Q CB 2.330 31.049 28.738 -0.031 0.000 1.247 420 Q HN 0.918 nan 8.270 nan 0.000 0.451 421 A N 5.032 127.801 122.820 -0.085 0.000 2.276 421 A HA 0.642 4.962 4.320 0.000 0.000 0.316 421 A C -0.851 176.871 177.584 0.230 0.000 1.229 421 A CA -0.580 51.450 52.037 -0.013 0.000 0.851 421 A CB 0.497 19.382 19.000 -0.193 0.000 1.165 421 A HN 0.770 nan 8.150 nan 0.000 0.513 422 L N 3.014 124.471 121.223 0.389 0.000 2.343 422 L HA 0.419 4.759 4.340 0.000 0.000 0.275 422 L C -2.321 174.641 176.870 0.154 0.000 1.056 422 L CA -2.193 52.864 54.840 0.361 0.000 0.804 422 L CB 1.389 43.652 42.059 0.340 0.000 1.203 422 L HN 0.400 nan 8.230 nan 0.000 0.440 423 P HA -0.042 nan 4.420 nan 0.000 0.272 423 P C -0.947 176.150 177.300 -0.339 0.000 1.223 423 P CA -0.167 62.531 63.100 -0.670 0.000 0.784 423 P CB 0.262 31.666 31.700 -0.494 0.000 0.923 424 Y N 2.157 122.184 120.300 -0.455 0.000 2.605 424 Y HA 0.111 4.661 4.550 0.000 0.000 0.336 424 Y C 0.673 176.546 175.900 -0.045 0.000 1.111 424 Y CA -0.012 57.956 58.100 -0.220 0.000 1.422 424 Y CB -0.004 38.382 38.460 -0.123 0.000 1.193 424 Y HN 0.162 nan 8.280 nan 0.000 0.526 425 S N 6.318 121.736 115.700 -0.470 0.000 2.416 425 S HA 0.213 4.683 4.470 0.000 0.000 0.302 425 S C 0.309 174.600 174.600 -0.516 0.000 1.120 425 S CA -0.302 57.671 58.200 -0.379 0.000 1.067 425 S CB -0.823 62.213 63.200 -0.273 0.000 1.057 425 S HN 0.891 nan 8.310 nan 0.000 0.518 426 T N 2.030 116.345 114.554 -0.399 0.000 2.689 426 T HA 0.372 4.722 4.350 0.000 0.000 0.308 426 T C 0.396 174.931 174.700 -0.276 0.000 1.021 426 T CA -0.718 61.148 62.100 -0.390 0.000 0.973 426 T CB 0.253 68.913 68.868 -0.346 0.000 1.113 426 T HN 0.307 nan 8.240 nan 0.000 0.522 427 V N 1.336 121.098 119.914 -0.252 0.000 2.461 427 V HA 0.508 4.628 4.120 0.000 0.000 0.275 427 V C 1.581 177.566 176.094 -0.183 0.000 1.047 427 V CA 0.594 62.759 62.300 -0.226 0.000 0.955 427 V CB 0.034 31.692 31.823 -0.275 0.000 0.988 427 V HN 1.366 nan 8.190 nan 0.000 0.471 428 G N 5.005 113.716 108.800 -0.148 0.000 2.233 428 G HA2 -0.331 3.629 3.960 0.000 0.000 0.270 428 G HA3 -0.331 3.629 3.960 0.000 0.000 0.270 428 G C 0.517 175.348 174.900 -0.115 0.000 1.011 428 G CA 0.517 45.547 45.100 -0.118 0.000 0.762 428 G HN 0.964 nan 8.290 nan 0.000 0.511 429 N N -1.552 117.068 118.700 -0.133 0.000 2.735 429 N HA -0.253 4.488 4.740 0.000 0.000 0.248 429 N C 1.574 177.005 175.510 -0.132 0.000 1.083 429 N CA 1.468 54.443 53.050 -0.124 0.000 0.703 429 N CB -1.410 37.026 38.487 -0.084 0.000 1.005 429 N HN 1.290 nan 8.380 nan 0.000 0.550 430 S N -0.552 115.046 115.700 -0.170 0.000 2.453 430 S HA -0.068 4.402 4.470 0.000 0.000 0.231 430 S C 0.988 175.469 174.600 -0.198 0.000 1.005 430 S CA 0.957 59.055 58.200 -0.170 0.000 0.949 430 S CB 0.233 63.320 63.200 -0.189 0.000 0.774 430 S HN 0.410 nan 8.310 nan 0.000 0.510 431 N N 0.786 119.302 118.700 -0.306 0.000 2.901 431 N HA -0.110 4.630 4.740 0.000 0.000 0.248 431 N C -1.642 173.504 175.510 -0.607 0.000 1.044 431 N CA 0.862 53.657 53.050 -0.426 0.000 0.847 431 N CB -2.167 36.238 38.487 -0.137 0.000 1.127 431 N HN 0.492 nan 8.380 nan 0.000 0.562 432 N N 0.847 119.231 118.700 -0.527 0.000 2.444 432 N HA 0.367 5.107 4.740 0.000 0.000 0.271 432 N C -0.449 174.873 175.510 -0.314 0.000 1.069 432 N CA 0.274 53.148 53.050 -0.293 0.000 0.965 432 N CB 0.355 38.793 38.487 -0.082 0.000 1.092 432 N HN 0.157 nan 8.380 nan 0.000 0.476 433 Y N 0.387 120.830 120.300 0.239 0.000 2.605 433 Y HA 0.614 5.165 4.550 0.000 0.000 0.343 433 Y C -0.461 175.615 175.900 0.293 0.000 1.036 433 Y CA -1.195 57.050 58.100 0.243 0.000 1.065 433 Y CB 1.446 40.002 38.460 0.161 0.000 1.288 433 Y HN 0.267 nan 8.280 nan 0.000 0.481 434 L N 1.859 123.303 121.223 0.368 0.000 2.436 434 L HA 0.575 4.915 4.340 0.000 0.000 0.268 434 L C -1.805 175.165 176.870 0.168 0.000 0.974 434 L CA -0.510 54.518 54.840 0.314 0.000 0.826 434 L CB 1.476 43.738 42.059 0.338 0.000 1.291 434 L HN 0.763 nan 8.230 nan 0.000 0.406 435 H N 4.473 123.559 119.070 0.026 0.000 2.538 435 H HA 0.664 5.220 4.556 0.000 0.000 0.353 435 H C -1.584 173.660 175.328 -0.139 0.000 1.109 435 H CA -0.580 55.437 56.048 -0.052 0.000 1.192 435 H CB 1.546 31.303 29.762 -0.009 0.000 1.555 435 H HN 0.676 nan 8.280 nan 0.000 0.518 436 L N 4.745 125.550 121.223 -0.696 0.000 2.313 436 L HA 0.304 4.644 4.340 0.000 0.000 0.273 436 L C -0.263 176.100 176.870 -0.846 0.000 1.028 436 L CA -0.699 53.708 54.840 -0.722 0.000 0.871 436 L CB 1.005 42.720 42.059 -0.574 0.000 1.242 436 L HN 0.640 nan 8.230 nan 0.000 0.434 437 S N 2.106 117.371 115.700 -0.726 0.000 2.416 437 S HA 0.533 5.004 4.470 0.000 0.000 0.287 437 S C -0.255 174.209 174.600 -0.227 0.000 1.139 437 S CA -0.703 57.261 58.200 -0.395 0.000 1.058 437 S CB 1.609 64.728 63.200 -0.135 0.000 0.967 437 S HN 0.218 nan 8.310 nan 0.000 0.495 438 V N 4.940 124.749 119.914 -0.176 0.000 2.448 438 V HA 0.325 4.445 4.120 0.000 0.000 0.295 438 V C -0.070 175.975 176.094 -0.081 0.000 1.025 438 V CA -1.185 61.043 62.300 -0.120 0.000 0.859 438 V CB 1.417 33.171 31.823 -0.115 0.000 0.988 438 V HN 0.943 nan 8.190 nan 0.000 0.431 439 L N 4.670 125.858 121.223 -0.058 0.000 2.601 439 L HA 0.319 4.659 4.340 0.000 0.000 0.277 439 L C 0.200 177.041 176.870 -0.048 0.000 1.219 439 L CA 0.722 55.535 54.840 -0.045 0.000 0.915 439 L CB -0.391 41.649 42.059 -0.032 0.000 1.160 439 L HN 0.513 nan 8.230 nan 0.000 0.494 440 R N 3.397 123.865 120.500 -0.052 0.000 2.320 440 R HA 0.588 4.928 4.340 0.000 0.000 0.319 440 R C -0.272 176.000 176.300 -0.047 0.000 0.969 440 R CA -0.054 56.011 56.100 -0.060 0.000 0.857 440 R CB 1.383 31.634 30.300 -0.083 0.000 1.160 440 R HN 1.001 nan 8.270 nan 0.000 0.491 441 T N -1.935 112.596 114.554 -0.038 0.000 2.604 441 T HA 0.303 4.653 4.350 0.000 0.000 0.267 441 T C -0.186 174.498 174.700 -0.027 0.000 0.923 441 T CA -1.026 61.058 62.100 -0.027 0.000 1.077 441 T CB 0.967 69.823 68.868 -0.019 0.000 1.392 441 T HN 0.263 nan 8.240 nan 0.000 0.531 442 E N 1.479 121.667 120.200 -0.020 0.000 2.003 442 E HA 0.269 4.619 4.350 0.000 0.000 0.279 442 E C -0.398 176.192 176.600 -0.015 0.000 1.132 442 E CA -0.181 56.207 56.400 -0.020 0.000 0.888 442 E CB 0.309 29.996 29.700 -0.021 0.000 1.056 442 E HN 0.342 nan 8.360 nan 0.000 0.399 443 L N 3.848 125.067 121.223 -0.007 0.000 2.426 443 L HA 0.241 4.581 4.340 0.000 0.000 0.271 443 L C 0.581 177.447 176.870 -0.005 0.000 1.169 443 L CA 0.390 55.230 54.840 -0.000 0.000 0.836 443 L CB 0.306 42.387 42.059 0.037 0.000 1.112 443 L HN 0.353 nan 8.230 nan 0.000 0.465 444 R N 2.859 123.346 120.500 -0.022 0.000 2.673 444 R HA 0.419 4.759 4.340 0.000 0.000 0.281 444 R C -2.663 173.615 176.300 -0.037 0.000 0.991 444 R CA -2.111 53.977 56.100 -0.020 0.000 0.896 444 R CB 1.532 31.823 30.300 -0.016 0.000 1.201 444 R HN 0.308 nan 8.270 nan 0.000 0.457 445 P HA 0.014 nan 4.420 nan 0.000 0.264 445 P C 0.650 177.933 177.300 -0.030 0.000 1.193 445 P CA 0.931 64.014 63.100 -0.027 0.000 0.763 445 P CB 0.787 32.502 31.700 0.024 0.000 0.810 446 G N 2.229 110.997 108.800 -0.052 0.000 2.475 446 G HA2 -0.196 3.764 3.960 0.000 0.000 0.209 446 G HA3 -0.196 3.764 3.960 0.000 0.000 0.209 446 G C 0.106 174.974 174.900 -0.054 0.000 1.127 446 G CA -0.430 44.646 45.100 -0.039 0.000 0.681 446 G HN 0.537 nan 8.290 nan 0.000 0.517 447 E N 1.189 121.354 120.200 -0.058 0.000 2.436 447 E HA 0.385 4.736 4.350 0.000 0.000 0.262 447 E C -0.244 176.305 176.600 -0.085 0.000 1.063 447 E CA 0.888 57.252 56.400 -0.058 0.000 0.944 447 E CB 0.691 30.361 29.700 -0.050 0.000 0.950 447 E HN 0.153 nan 8.360 nan 0.000 0.444 448 T N 2.563 117.076 114.554 -0.068 0.000 2.770 448 T HA 0.366 4.716 4.350 0.000 0.000 0.283 448 T C -1.098 173.562 174.700 -0.066 0.000 0.988 448 T CA -0.753 61.300 62.100 -0.078 0.000 0.957 448 T CB 0.383 69.218 68.868 -0.055 0.000 0.930 448 T HN 0.209 nan 8.240 nan 0.000 0.443 449 L N 5.971 127.144 121.223 -0.084 0.000 2.295 449 L HA 0.612 4.952 4.340 0.000 0.000 0.285 449 L C -0.431 176.417 176.870 -0.036 0.000 1.035 449 L CA -0.365 54.446 54.840 -0.049 0.000 0.806 449 L CB 1.101 43.143 42.059 -0.028 0.000 1.214 449 L HN 0.493 nan 8.230 nan 0.000 0.426 450 N N 3.942 122.628 118.700 -0.022 0.000 2.419 450 N HA 0.323 5.063 4.740 0.000 0.000 0.264 450 N C -1.141 174.359 175.510 -0.018 0.000 1.031 450 N CA -0.264 52.780 53.050 -0.010 0.000 0.951 450 N CB 1.797 40.281 38.487 -0.005 0.000 1.101 450 N HN 0.413 nan 8.380 nan 0.000 0.488 451 V N 2.783 122.699 119.914 0.003 0.000 2.277 451 V HA 0.215 4.335 4.120 0.000 0.000 0.269 451 V C 0.198 176.266 176.094 -0.044 0.000 1.036 451 V CA -1.041 61.214 62.300 -0.075 0.000 0.821 451 V CB 0.169 31.931 31.823 -0.102 0.000 1.052 451 V HN 0.442 nan 8.190 nan 0.000 0.462 452 N N 3.894 122.529 118.700 -0.108 0.000 2.438 452 N HA 0.230 4.970 4.740 0.000 0.000 0.267 452 N C -0.721 174.680 175.510 -0.182 0.000 1.222 452 N CA 0.349 53.368 53.050 -0.053 0.000 0.930 452 N CB 0.200 38.651 38.487 -0.060 0.000 1.083 452 N HN 0.522 nan 8.380 nan 0.000 0.476 453 F N 2.713 122.581 119.950 -0.137 0.000 2.313 453 F HA 0.250 4.777 4.527 0.000 0.000 0.369 453 F C 0.173 175.905 175.800 -0.114 0.000 1.109 453 F CA -0.912 56.945 58.000 -0.239 0.000 1.132 453 F CB 0.717 39.470 39.000 -0.412 0.000 1.291 453 F HN 0.174 nan 8.300 nan 0.000 0.496 454 L N 5.937 127.191 121.223 0.051 0.000 2.280 454 L HA 0.495 4.835 4.340 0.000 0.000 0.287 454 L C -1.138 175.861 176.870 0.215 0.000 1.023 454 L CA -1.036 53.890 54.840 0.143 0.000 0.819 454 L CB 1.008 43.158 42.059 0.151 0.000 1.212 454 L HN 0.418 nan 8.230 nan 0.000 0.420 455 L N 5.700 127.065 121.223 0.237 0.000 2.265 455 L HA 0.546 4.886 4.340 0.000 0.000 0.288 455 L C -0.423 176.568 176.870 0.202 0.000 1.058 455 L CA -0.144 54.851 54.840 0.258 0.000 0.809 455 L CB 0.780 42.964 42.059 0.208 0.000 1.179 455 L HN 0.702 nan 8.230 nan 0.000 0.429 456 R N 6.773 127.421 120.500 0.246 0.000 2.335 456 R HA 0.739 5.079 4.340 0.000 0.000 0.302 456 R C -1.452 174.953 176.300 0.175 0.000 1.147 456 R CA -0.355 55.883 56.100 0.229 0.000 1.111 456 R CB 0.166 30.664 30.300 0.330 0.000 1.122 456 R HN 0.814 nan 8.270 nan 0.000 0.557 457 M N 0.295 119.960 119.600 0.108 0.000 2.605 457 M HA 0.372 4.852 4.480 0.000 0.000 0.281 457 M C -1.520 174.814 176.300 0.057 0.000 1.166 457 M CA -1.054 54.281 55.300 0.059 0.000 0.875 457 M CB 1.723 34.344 32.600 0.037 0.000 1.732 457 M HN 0.273 nan 8.290 nan 0.000 0.504 458 D N 2.173 122.608 120.400 0.057 0.000 2.487 458 D HA 0.001 4.641 4.640 0.000 0.000 0.243 458 D C 0.843 177.184 176.300 0.069 0.000 1.154 458 D CA -0.051 53.987 54.000 0.064 0.000 0.876 458 D CB 0.814 41.658 40.800 0.073 0.000 1.161 458 D HN 0.901 nan 8.370 nan 0.000 0.478 459 R N 2.222 122.743 120.500 0.033 0.000 2.276 459 R HA -0.214 4.126 4.340 0.000 0.000 0.243 459 R C 1.804 178.092 176.300 -0.019 0.000 1.161 459 R CA 1.288 57.393 56.100 0.009 0.000 1.007 459 R CB -0.697 29.602 30.300 -0.002 0.000 0.867 459 R HN 0.453 nan 8.270 nan 0.000 0.472 460 A N 1.922 124.724 122.820 -0.029 0.000 1.894 460 A HA -0.256 4.065 4.320 0.000 0.000 0.220 460 A C 1.164 178.548 177.584 -0.334 0.000 1.237 460 A CA 2.095 54.013 52.037 -0.199 0.000 0.660 460 A CB -0.757 18.102 19.000 -0.236 0.000 0.835 460 A HN 0.742 nan 8.150 nan 0.000 0.461 461 H N -1.749 117.290 119.070 -0.051 0.000 2.592 461 H HA 0.326 4.882 4.556 0.000 0.000 0.279 461 H C 1.342 176.614 175.328 -0.093 0.000 1.089 461 H CA 0.373 56.381 56.048 -0.068 0.000 1.150 461 H CB 0.066 29.788 29.762 -0.067 0.000 1.575 461 H HN 0.778 nan 8.280 nan 0.000 0.547 462 E N 1.718 121.928 120.200 0.015 0.000 2.085 462 E HA -0.206 4.144 4.350 0.000 0.000 0.194 462 E C 2.152 178.710 176.600 -0.070 0.000 0.994 462 E CA 1.286 57.662 56.400 -0.040 0.000 0.801 462 E CB 0.001 29.688 29.700 -0.022 0.000 0.743 462 E HN 0.466 nan 8.360 nan 0.000 0.453 463 A N 0.785 123.571 122.820 -0.057 0.000 2.067 463 A HA -0.159 4.162 4.320 0.000 0.000 0.219 463 A C 1.955 179.496 177.584 -0.073 0.000 1.158 463 A CA 1.321 53.322 52.037 -0.059 0.000 0.661 463 A CB -0.284 18.687 19.000 -0.049 0.000 0.801 463 A HN 0.171 nan 8.150 nan 0.000 0.452 464 K N -0.378 119.978 120.400 -0.073 0.000 1.984 464 K HA -0.018 4.302 4.320 0.000 0.000 0.209 464 K C 0.161 176.672 176.600 -0.148 0.000 1.046 464 K CA 0.527 56.767 56.287 -0.080 0.000 0.934 464 K CB -0.361 32.115 32.500 -0.040 0.000 0.717 464 K HN 0.311 nan 8.250 nan 0.000 0.438 465 I N 2.838 123.275 120.570 -0.222 0.000 2.978 465 I HA -0.157 4.013 4.170 0.000 0.000 0.293 465 I C 1.193 177.110 176.117 -0.333 0.000 1.218 465 I CA 0.931 62.003 61.300 -0.380 0.000 1.393 465 I CB 0.079 37.762 38.000 -0.528 0.000 1.394 465 I HN 0.182 nan 8.210 nan 0.000 0.541 466 R N 5.808 126.098 120.500 -0.350 0.000 2.279 466 R HA 0.164 4.504 4.340 0.000 0.000 0.195 466 R C -0.468 175.775 176.300 -0.096 0.000 0.905 466 R CA 0.329 56.337 56.100 -0.153 0.000 1.044 466 R CB 0.063 30.380 30.300 0.027 0.000 1.056 466 R HN 0.682 nan 8.270 nan 0.000 0.535 467 Y N -2.952 117.198 120.300 -0.250 0.000 2.558 467 Y HA 0.558 5.108 4.550 0.000 0.000 0.333 467 Y C -1.515 174.209 175.900 -0.295 0.000 1.125 467 Y CA -2.250 55.722 58.100 -0.214 0.000 1.039 467 Y CB 0.267 38.688 38.460 -0.065 0.000 1.331 467 Y HN -0.217 nan 8.280 nan 0.000 0.456 468 Y N 1.068 121.487 120.300 0.199 0.000 2.330 468 Y HA 0.604 5.154 4.550 0.000 0.000 0.336 468 Y C 0.108 176.200 175.900 0.319 0.000 1.036 468 Y CA -0.753 57.477 58.100 0.217 0.000 1.125 468 Y CB 2.255 40.785 38.460 0.118 0.000 1.194 468 Y HN 0.705 nan 8.280 nan 0.000 0.469 469 T N 4.971 119.796 114.554 0.451 0.000 2.756 469 T HA 0.351 4.701 4.350 0.000 0.000 0.290 469 T C -1.034 173.989 174.700 0.539 0.000 0.985 469 T CA -0.536 61.805 62.100 0.401 0.000 0.955 469 T CB -0.364 68.710 68.868 0.344 0.000 0.930 469 T HN 0.460 nan 8.240 nan 0.000 0.451 470 Y N 2.649 123.186 120.300 0.396 0.000 2.487 470 Y HA 0.886 5.436 4.550 0.000 0.000 0.337 470 Y C -1.551 174.526 175.900 0.297 0.000 1.076 470 Y CA -1.806 56.518 58.100 0.373 0.000 1.115 470 Y CB 0.828 39.521 38.460 0.389 0.000 1.235 470 Y HN 0.345 nan 8.280 nan 0.000 0.468 471 L N 3.597 125.074 121.223 0.422 0.000 2.415 471 L HA 0.549 4.889 4.340 0.000 0.000 0.256 471 L C -1.137 175.911 176.870 0.298 0.000 1.010 471 L CA -0.841 54.163 54.840 0.273 0.000 0.826 471 L CB 2.462 44.636 42.059 0.192 0.000 1.405 471 L HN 0.610 nan 8.230 nan 0.000 0.410 472 I N 2.225 122.928 120.570 0.222 0.000 2.411 472 I HA 0.398 4.568 4.170 0.000 0.000 0.284 472 I C -0.644 175.540 176.117 0.111 0.000 1.012 472 I CA -0.466 60.960 61.300 0.210 0.000 1.119 472 I CB 1.625 39.715 38.000 0.150 0.000 1.261 472 I HN 0.473 nan 8.210 nan 0.000 0.448 473 M N 5.254 124.923 119.600 0.116 0.000 2.274 473 M HA 0.374 4.854 4.480 0.000 0.000 0.344 473 M C -0.040 176.289 176.300 0.048 0.000 1.161 473 M CA 0.101 55.431 55.300 0.049 0.000 1.126 473 M CB 0.804 33.412 32.600 0.014 0.000 1.522 473 M HN 0.603 nan 8.290 nan 0.000 0.461 474 N N 0.921 119.623 118.700 0.003 0.000 2.635 474 N HA 0.081 4.821 4.740 0.000 0.000 0.260 474 N C -1.090 174.429 175.510 0.014 0.000 1.078 474 N CA -0.283 52.768 53.050 0.001 0.000 1.012 474 N CB 1.296 39.756 38.487 -0.044 0.000 1.677 474 N HN 0.618 nan 8.380 nan 0.000 0.514 475 K N 1.890 122.315 120.400 0.042 0.000 3.003 475 K HA -0.230 4.090 4.320 0.000 0.000 0.257 475 K C 0.624 177.279 176.600 0.093 0.000 0.958 475 K CA 1.052 57.408 56.287 0.114 0.000 0.707 475 K CB -1.513 31.095 32.500 0.179 0.000 1.279 475 K HN 0.964 nan 8.250 nan 0.000 0.479 476 G N 0.275 109.094 108.800 0.031 0.000 2.249 476 G HA2 -0.374 3.586 3.960 0.000 0.000 0.273 476 G HA3 -0.374 3.586 3.960 0.000 0.000 0.273 476 G C -0.063 174.830 174.900 -0.012 0.000 1.036 476 G CA 0.990 46.095 45.100 0.007 0.000 0.824 476 G HN 0.695 nan 8.290 nan 0.000 0.504 477 R N -1.682 118.812 120.500 -0.010 0.000 2.817 477 R HA 0.785 5.126 4.340 0.000 0.000 0.268 477 R C -0.408 175.875 176.300 -0.027 0.000 1.027 477 R CA -1.366 54.716 56.100 -0.030 0.000 0.928 477 R CB 1.008 31.287 30.300 -0.035 0.000 1.228 477 R HN 0.083 nan 8.270 nan 0.000 0.469 478 L N 2.522 123.725 121.223 -0.035 0.000 2.361 478 L HA 0.174 4.514 4.340 0.000 0.000 0.278 478 L C 0.646 177.486 176.870 -0.050 0.000 1.113 478 L CA -0.303 54.523 54.840 -0.024 0.000 0.849 478 L CB 1.240 43.291 42.059 -0.014 0.000 1.155 478 L HN 0.679 nan 8.230 nan 0.000 0.452 479 L N 3.784 124.968 121.223 -0.065 0.000 2.515 479 L HA 0.323 4.663 4.340 0.000 0.000 0.223 479 L C 0.267 177.072 176.870 -0.107 0.000 1.079 479 L CA 0.877 55.637 54.840 -0.133 0.000 0.857 479 L CB 0.162 42.060 42.059 -0.268 0.000 1.050 479 L HN 0.568 nan 8.230 nan 0.000 0.476 480 K N -0.516 119.863 120.400 -0.035 0.000 2.598 480 K HA 0.659 4.979 4.320 0.000 0.000 0.271 480 K C -2.022 174.601 176.600 0.038 0.000 0.947 480 K CA -0.122 56.175 56.287 0.017 0.000 0.854 480 K CB 1.721 34.266 32.500 0.077 0.000 1.401 480 K HN -0.063 nan 8.250 nan 0.000 0.415 481 A N 1.825 124.625 122.820 -0.034 0.000 2.414 481 A HA 0.755 5.075 4.320 0.000 0.000 0.286 481 A C -0.755 176.630 177.584 -0.333 0.000 1.073 481 A CA -0.046 51.913 52.037 -0.130 0.000 0.727 481 A CB 1.457 20.450 19.000 -0.012 0.000 1.215 481 A HN 0.764 nan 8.150 nan 0.000 0.430 482 G N 1.062 109.292 108.800 -0.949 0.000 3.022 482 G HA2 0.714 4.674 3.960 0.000 0.000 0.284 482 G HA3 0.714 4.674 3.960 0.000 0.000 0.284 482 G C -1.148 173.331 174.900 -0.701 0.000 1.375 482 G CA -0.722 43.849 45.100 -0.883 0.000 0.902 482 G HN 0.563 nan 8.290 nan 0.000 0.538 483 R N -0.065 120.352 120.500 -0.138 0.000 2.637 483 R HA 0.488 4.828 4.340 0.000 0.000 0.291 483 R C -1.250 175.222 176.300 0.286 0.000 0.963 483 R CA -0.785 55.384 56.100 0.115 0.000 0.901 483 R CB 2.009 32.308 30.300 -0.001 0.000 1.160 483 R HN 0.538 nan 8.270 nan 0.000 0.457 484 Q N 2.209 122.172 119.800 0.270 0.000 2.357 484 Q HA 0.275 4.615 4.340 0.000 0.000 0.266 484 Q C -0.650 175.404 176.000 0.089 0.000 1.021 484 Q CA -0.698 55.151 55.803 0.076 0.000 0.784 484 Q CB 1.469 30.020 28.738 -0.312 0.000 1.243 484 Q HN 0.485 nan 8.270 nan 0.000 0.465 485 V N 2.007 121.958 119.914 0.062 0.000 2.924 485 V HA 0.645 4.765 4.120 0.000 0.000 0.305 485 V C -0.126 175.990 176.094 0.037 0.000 1.073 485 V CA -0.606 61.732 62.300 0.064 0.000 1.098 485 V CB 1.245 33.093 31.823 0.042 0.000 1.000 485 V HN 0.866 nan 8.190 nan 0.000 0.484 486 R N 1.496 122.003 120.500 0.012 0.000 2.771 486 R HA 0.570 4.910 4.340 0.000 0.000 0.274 486 R C -1.346 174.943 176.300 -0.019 0.000 0.987 486 R CA -0.663 55.432 56.100 -0.008 0.000 0.908 486 R CB 2.194 32.450 30.300 -0.072 0.000 1.213 486 R HN 0.893 nan 8.270 nan 0.000 0.468 487 E N 2.773 122.968 120.200 -0.007 0.000 2.238 487 E HA 0.382 4.732 4.350 0.000 0.000 0.267 487 E C -2.503 174.087 176.600 -0.016 0.000 0.887 487 E CA -2.336 54.058 56.400 -0.011 0.000 0.769 487 E CB 1.921 31.622 29.700 0.002 0.000 1.187 487 E HN 0.437 nan 8.360 nan 0.000 0.416 488 P HA -0.001 nan 4.420 nan 0.000 0.266 488 P C 0.848 178.141 177.300 -0.011 0.000 1.186 488 P CA 1.186 64.269 63.100 -0.027 0.000 0.767 488 P CB 0.453 32.137 31.700 -0.028 0.000 0.820 489 G N 0.836 109.631 108.800 -0.008 0.000 2.284 489 G HA2 -0.281 3.679 3.960 0.000 0.000 0.247 489 G HA3 -0.281 3.679 3.960 0.000 0.000 0.247 489 G C 0.200 175.112 174.900 0.019 0.000 1.012 489 G CA -0.192 44.912 45.100 0.005 0.000 0.618 489 G HN 0.593 nan 8.290 nan 0.000 0.521 490 Q N 0.364 120.177 119.800 0.022 0.000 2.304 490 Q HA 0.452 4.792 4.340 0.000 0.000 0.260 490 Q C 0.368 176.407 176.000 0.066 0.000 0.965 490 Q CA 0.050 55.881 55.803 0.046 0.000 0.898 490 Q CB 0.838 29.607 28.738 0.051 0.000 1.196 490 Q HN 0.291 nan 8.270 nan 0.000 0.402 491 D N 1.088 121.540 120.400 0.086 0.000 2.455 491 D HA 0.094 4.734 4.640 0.000 0.000 0.228 491 D C -0.817 175.572 176.300 0.149 0.000 1.070 491 D CA 0.172 54.242 54.000 0.117 0.000 0.881 491 D CB 0.618 41.478 40.800 0.100 0.000 1.087 491 D HN 0.218 nan 8.370 nan 0.000 0.498 492 L N 1.694 122.991 121.223 0.123 0.000 2.313 492 L HA 0.483 4.823 4.340 0.000 0.000 0.283 492 L C -0.926 176.023 176.870 0.131 0.000 1.013 492 L CA -0.939 53.977 54.840 0.128 0.000 0.816 492 L CB 1.557 43.672 42.059 0.094 0.000 1.236 492 L HN -0.139 nan 8.230 nan 0.000 0.419 493 V N 3.105 123.120 119.914 0.168 0.000 2.709 493 V HA 0.752 4.872 4.120 0.000 0.000 0.308 493 V C -0.718 175.473 176.094 0.162 0.000 1.062 493 V CA -0.814 61.563 62.300 0.128 0.000 0.901 493 V CB 1.651 33.533 31.823 0.100 0.000 1.003 493 V HN 0.397 nan 8.190 nan 0.000 0.425 494 V N 4.973 124.950 119.914 0.105 0.000 2.435 494 V HA 0.520 4.641 4.120 0.000 0.000 0.290 494 V C -0.319 175.827 176.094 0.086 0.000 1.030 494 V CA -0.501 61.872 62.300 0.121 0.000 0.881 494 V CB 1.477 33.341 31.823 0.069 0.000 0.983 494 V HN 0.825 nan 8.190 nan 0.000 0.445 495 L N 8.550 129.860 121.223 0.145 0.000 2.265 495 L HA 0.633 4.973 4.340 0.000 0.000 0.289 495 L C -2.498 174.383 176.870 0.017 0.000 1.033 495 L CA -2.242 52.636 54.840 0.065 0.000 0.814 495 L CB 1.425 43.593 42.059 0.182 0.000 1.203 495 L HN 0.389 nan 8.230 nan 0.000 0.423 496 P HA 0.149 nan 4.420 nan 0.000 0.273 496 P C -0.961 176.312 177.300 -0.045 0.000 1.319 496 P CA -0.281 62.807 63.100 -0.021 0.000 0.885 496 P CB 0.482 32.177 31.700 -0.009 0.000 1.015 497 L N 4.499 125.680 121.223 -0.071 0.000 2.272 497 L HA 0.272 4.612 4.340 0.000 0.000 0.284 497 L C 0.255 177.025 176.870 -0.167 0.000 1.045 497 L CA -0.336 54.431 54.840 -0.121 0.000 0.842 497 L CB -0.039 41.930 42.059 -0.151 0.000 1.224 497 L HN 0.257 nan 8.230 nan 0.000 0.430 498 S N 5.291 120.915 115.700 -0.127 0.000 2.568 498 S HA 0.438 4.908 4.470 0.000 0.000 0.282 498 S C 0.047 174.440 174.600 -0.345 0.000 1.338 498 S CA -0.561 57.553 58.200 -0.144 0.000 1.045 498 S CB 0.976 64.148 63.200 -0.046 0.000 0.873 498 S HN 0.429 nan 8.310 nan 0.000 0.516 499 I N 3.405 123.749 120.570 -0.377 0.000 2.464 499 I HA 0.235 4.405 4.170 0.000 0.000 0.277 499 I C 0.739 176.682 176.117 -0.289 0.000 1.040 499 I CA -0.170 60.705 61.300 -0.708 0.000 1.153 499 I CB 0.659 38.335 38.000 -0.539 0.000 1.274 499 I HN 0.952 nan 8.210 nan 0.000 0.469 500 T N 0.502 115.063 114.554 0.011 0.000 2.862 500 T HA 0.247 4.597 4.350 0.000 0.000 0.276 500 T C 1.507 176.376 174.700 0.282 0.000 0.974 500 T CA -0.228 61.989 62.100 0.194 0.000 0.966 500 T CB 1.124 70.124 68.868 0.219 0.000 1.072 500 T HN 0.619 nan 8.240 nan 0.000 0.538 501 T N -1.447 113.203 114.554 0.161 0.000 2.946 501 T HA -0.113 4.237 4.350 0.000 0.000 0.271 501 T C 0.844 175.628 174.700 0.139 0.000 1.104 501 T CA 1.239 63.419 62.100 0.133 0.000 1.114 501 T CB -0.756 68.170 68.868 0.096 0.000 0.867 501 T HN 0.646 nan 8.240 nan 0.000 0.513 502 D N 0.335 120.815 120.400 0.133 0.000 2.378 502 D HA 0.106 4.746 4.640 0.000 0.000 0.227 502 D C 0.917 177.144 176.300 -0.123 0.000 1.012 502 D CA 0.366 54.359 54.000 -0.013 0.000 0.905 502 D CB -0.473 40.257 40.800 -0.116 0.000 0.895 502 D HN 0.517 nan 8.370 nan 0.000 0.532 503 F N 0.291 120.223 119.950 -0.031 0.000 2.619 503 F HA 0.224 4.751 4.527 0.000 0.000 0.293 503 F C 1.130 176.943 175.800 0.022 0.000 1.119 503 F CA -0.275 57.718 58.000 -0.011 0.000 1.445 503 F CB 0.156 39.106 39.000 -0.083 0.000 1.119 503 F HN -0.174 nan 8.300 nan 0.000 0.573 504 I N 2.945 123.569 120.570 0.090 0.000 2.752 504 I HA -0.037 4.133 4.170 0.000 0.000 0.287 504 I C -1.520 174.400 176.117 -0.328 0.000 1.188 504 I CA -1.070 60.128 61.300 -0.170 0.000 1.427 504 I CB 0.237 38.070 38.000 -0.278 0.000 1.365 504 I HN -0.108 nan 8.210 nan 0.000 0.585 505 P HA 0.044 nan 4.420 nan 0.000 0.261 505 P C -0.414 176.794 177.300 -0.153 0.000 1.268 505 P CA 0.255 63.047 63.100 -0.513 0.000 0.833 505 P CB 0.394 31.707 31.700 -0.646 0.000 1.231 506 S N -0.169 115.508 115.700 -0.039 0.000 2.604 506 S HA 0.573 5.043 4.470 0.000 0.000 0.296 506 S C -1.213 173.408 174.600 0.035 0.000 1.097 506 S CA -0.965 57.242 58.200 0.011 0.000 0.883 506 S CB -0.141 63.016 63.200 -0.072 0.000 1.081 506 S HN 0.034 nan 8.310 nan 0.000 0.448 507 F N 0.695 120.655 119.950 0.017 0.000 2.563 507 F HA 0.846 5.373 4.527 0.000 0.000 0.316 507 F C -0.299 175.505 175.800 0.005 0.000 1.076 507 F CA -1.097 56.916 58.000 0.021 0.000 0.921 507 F CB 1.460 40.583 39.000 0.205 0.000 1.209 507 F HN 0.703 nan 8.300 nan 0.000 0.462 508 R N 2.266 122.818 120.500 0.088 0.000 2.474 508 R HA 0.669 5.009 4.340 0.000 0.000 0.295 508 R C -1.758 174.675 176.300 0.223 0.000 0.980 508 R CA -1.181 54.942 56.100 0.038 0.000 0.934 508 R CB 2.084 32.361 30.300 -0.039 0.000 1.101 508 R HN 0.790 nan 8.270 nan 0.000 0.469 509 L N 3.969 125.290 121.223 0.164 0.000 2.343 509 L HA 0.375 4.715 4.340 0.000 0.000 0.278 509 L C -1.092 175.835 176.870 0.094 0.000 0.996 509 L CA -0.673 54.293 54.840 0.210 0.000 0.831 509 L CB 1.928 44.130 42.059 0.238 0.000 1.232 509 L HN 0.390 nan 8.230 nan 0.000 0.413 510 V N 2.833 122.811 119.914 0.106 0.000 2.407 510 V HA 0.996 5.116 4.120 0.000 0.000 0.291 510 V C -0.028 176.158 176.094 0.154 0.000 1.018 510 V CA -0.434 61.872 62.300 0.009 0.000 0.842 510 V CB 0.900 32.614 31.823 -0.182 0.000 0.996 510 V HN 0.950 nan 8.190 nan 0.000 0.426 511 A N 5.387 128.309 122.820 0.171 0.000 2.337 511 A HA 0.986 5.306 4.320 0.000 0.000 0.329 511 A C -0.892 176.932 177.584 0.400 0.000 1.146 511 A CA -0.730 51.539 52.037 0.386 0.000 0.800 511 A CB 1.386 20.634 19.000 0.413 0.000 1.220 511 A HN 1.888 nan 8.150 nan 0.000 0.472 512 Y N 0.270 120.773 120.300 0.338 0.000 2.544 512 Y HA 0.727 5.277 4.550 0.000 0.000 0.342 512 Y C -1.155 174.963 175.900 0.364 0.000 1.062 512 Y CA -1.403 56.854 58.100 0.262 0.000 1.023 512 Y CB 1.051 39.712 38.460 0.335 0.000 1.308 512 Y HN 0.887 nan 8.280 nan 0.000 0.457 513 Y N -0.008 120.317 120.300 0.042 0.000 2.659 513 Y HA 0.908 5.459 4.550 0.000 0.000 0.333 513 Y C -0.850 174.928 175.900 -0.202 0.000 1.064 513 Y CA -1.238 56.710 58.100 -0.254 0.000 1.141 513 Y CB 1.741 40.065 38.460 -0.227 0.000 1.316 513 Y HN 0.891 nan 8.280 nan 0.000 0.509 514 T N 2.496 117.019 114.554 -0.051 0.000 2.923 514 T HA 0.721 5.071 4.350 0.000 0.000 0.311 514 T C -1.699 172.940 174.700 -0.102 0.000 1.183 514 T CA -0.566 61.490 62.100 -0.074 0.000 1.020 514 T CB 0.977 69.737 68.868 -0.179 0.000 1.165 514 T HN 1.260 nan 8.240 nan 0.000 0.482 515 L N 2.209 123.393 121.223 -0.065 0.000 2.838 515 L HA 0.861 5.201 4.340 0.000 0.000 0.266 515 L C -1.851 174.978 176.870 -0.070 0.000 1.040 515 L CA -1.461 53.333 54.840 -0.077 0.000 0.906 515 L CB 1.587 43.603 42.059 -0.072 0.000 1.501 515 L HN 0.750 nan 8.230 nan 0.000 0.407 516 I N 0.021 120.560 120.570 -0.050 0.000 2.412 516 I HA 1.030 5.200 4.170 0.000 0.000 0.296 516 I C 0.068 176.178 176.117 -0.010 0.000 0.987 516 I CA 0.417 61.694 61.300 -0.040 0.000 1.180 516 I CB 1.252 39.239 38.000 -0.021 0.000 1.340 516 I HN 0.929 nan 8.210 nan 0.000 0.455 517 G N 2.923 111.692 108.800 -0.052 0.000 2.489 517 G HA2 0.673 4.633 3.960 0.000 0.000 0.305 517 G HA3 0.673 4.633 3.960 0.000 0.000 0.305 517 G C -0.193 174.650 174.900 -0.094 0.000 1.311 517 G CA -0.134 44.926 45.100 -0.067 0.000 0.813 517 G HN 1.662 nan 8.290 nan 0.000 0.480 518 A N -0.600 122.196 122.820 -0.040 0.000 5.078 518 A HA -0.092 4.228 4.320 0.000 0.000 0.342 518 A C 1.432 179.045 177.584 0.049 0.000 1.749 518 A CA 3.310 55.362 52.037 0.025 0.000 0.700 518 A CB -1.912 17.036 19.000 -0.086 0.000 1.446 518 A HN 2.592 nan 8.150 nan 0.000 0.395 519 S N -0.304 115.393 115.700 -0.005 0.000 2.150 519 S HA 0.572 5.043 4.470 0.000 0.000 0.171 519 S C 0.961 175.551 174.600 -0.015 0.000 1.620 519 S CA 0.816 59.013 58.200 -0.004 0.000 1.190 519 S CB 0.181 63.374 63.200 -0.013 0.000 1.102 519 S HN 2.639 nan 8.310 nan 0.000 0.464 520 G N 1.705 110.502 108.800 -0.007 0.000 2.421 520 G HA2 -0.284 3.676 3.960 0.000 0.000 0.300 520 G HA3 -0.284 3.676 3.960 0.000 0.000 0.300 520 G C -0.220 174.661 174.900 -0.032 0.000 0.974 520 G CA 0.541 45.633 45.100 -0.015 0.000 1.062 520 G HN 0.826 nan 8.290 nan 0.000 0.514 521 Q N -1.250 118.521 119.800 -0.049 0.000 2.322 521 Q HA 0.585 4.925 4.340 0.000 0.000 0.265 521 Q C 0.344 176.294 176.000 -0.083 0.000 0.985 521 Q CA -1.177 54.583 55.803 -0.070 0.000 0.849 521 Q CB 0.861 29.546 28.738 -0.089 0.000 1.274 521 Q HN 0.300 nan 8.270 nan 0.000 0.449 522 R N 2.782 123.234 120.500 -0.079 0.000 2.296 522 R HA 0.175 4.515 4.340 0.000 0.000 0.323 522 R C -1.016 175.209 176.300 -0.125 0.000 1.067 522 R CA 0.381 56.433 56.100 -0.081 0.000 0.946 522 R CB 0.374 30.643 30.300 -0.051 0.000 0.991 522 R HN 0.647 nan 8.270 nan 0.000 0.448 523 E N 2.567 122.690 120.200 -0.128 0.000 2.263 523 E HA 0.547 4.897 4.350 0.000 0.000 0.264 523 E C -1.281 175.223 176.600 -0.159 0.000 0.923 523 E CA -1.152 55.142 56.400 -0.175 0.000 0.802 523 E CB 1.729 31.341 29.700 -0.147 0.000 1.228 523 E HN 0.374 nan 8.360 nan 0.000 0.417 524 V N 2.660 122.431 119.914 -0.239 0.000 2.488 524 V HA 0.344 4.464 4.120 0.000 0.000 0.293 524 V C -0.624 175.418 176.094 -0.087 0.000 1.027 524 V CA -0.879 61.336 62.300 -0.142 0.000 0.862 524 V CB 1.354 33.085 31.823 -0.154 0.000 1.008 524 V HN 0.390 nan 8.190 nan 0.000 0.428 525 V N 3.235 123.013 119.914 -0.227 0.000 2.581 525 V HA 1.015 5.135 4.120 0.000 0.000 0.303 525 V C 0.352 176.276 176.094 -0.284 0.000 1.041 525 V CA -0.021 62.122 62.300 -0.261 0.000 0.907 525 V CB 1.639 33.188 31.823 -0.456 0.000 0.994 525 V HN 1.175 nan 8.190 nan 0.000 0.442 526 A N 3.121 125.928 122.820 -0.021 0.000 2.568 526 A HA 0.901 5.221 4.320 0.000 0.000 0.291 526 A C -1.795 175.703 177.584 -0.143 0.000 1.159 526 A CA -0.500 51.548 52.037 0.018 0.000 0.679 526 A CB 2.137 21.255 19.000 0.196 0.000 1.285 526 A HN 0.784 nan 8.150 nan 0.000 0.428 527 D N -0.955 119.375 120.400 -0.116 0.000 2.812 527 D HA 0.519 5.159 4.640 0.000 0.000 0.210 527 D C -1.035 175.196 176.300 -0.115 0.000 1.260 527 D CA 0.381 54.290 54.000 -0.152 0.000 0.817 527 D CB 1.687 42.405 40.800 -0.137 0.000 1.694 527 D HN 0.835 nan 8.370 nan 0.000 0.530 528 S N 1.249 116.896 115.700 -0.087 0.000 2.482 528 S HA 0.793 5.263 4.470 0.000 0.000 0.303 528 S C -1.005 173.589 174.600 -0.010 0.000 1.091 528 S CA -0.821 57.347 58.200 -0.054 0.000 1.057 528 S CB 1.863 65.030 63.200 -0.055 0.000 1.031 528 S HN 0.561 nan 8.310 nan 0.000 0.485 529 V N 3.880 123.792 119.914 -0.004 0.000 2.638 529 V HA 0.721 4.841 4.120 0.000 0.000 0.306 529 V C -1.823 174.298 176.094 0.046 0.000 1.052 529 V CA -0.556 61.748 62.300 0.006 0.000 0.885 529 V CB 1.667 33.453 31.823 -0.061 0.000 0.999 529 V HN 1.030 nan 8.190 nan 0.000 0.424 530 W N 6.991 128.198 121.300 -0.154 0.000 2.469 530 W HA 0.760 5.420 4.660 0.000 0.000 0.320 530 W C -1.524 174.817 176.519 -0.297 0.000 1.086 530 W CA -1.254 55.960 57.345 -0.218 0.000 1.211 530 W CB 1.594 30.967 29.460 -0.145 0.000 1.298 530 W HN 0.414 nan 8.180 nan 0.000 0.525 531 V N 6.417 126.441 119.914 0.184 0.000 2.439 531 V HA 0.023 4.143 4.120 0.000 0.000 0.277 531 V C -0.649 175.458 176.094 0.022 0.000 1.008 531 V CA -0.827 61.397 62.300 -0.128 0.000 0.846 531 V CB 1.023 32.528 31.823 -0.529 0.000 1.031 531 V HN 0.507 nan 8.190 nan 0.000 0.441 532 D N 4.008 124.482 120.400 0.125 0.000 2.342 532 D HA 0.299 4.939 4.640 0.000 0.000 0.260 532 D C 0.114 176.440 176.300 0.044 0.000 1.278 532 D CA 0.225 54.340 54.000 0.191 0.000 0.910 532 D CB 1.097 41.968 40.800 0.118 0.000 1.079 532 D HN 0.282 nan 8.370 nan 0.000 0.496 533 V N 3.363 123.310 119.914 0.056 0.000 3.083 533 V HA 0.146 4.266 4.120 0.000 0.000 0.306 533 V C 0.598 176.677 176.094 -0.025 0.000 1.077 533 V CA -0.823 61.500 62.300 0.038 0.000 1.073 533 V CB 1.179 33.064 31.823 0.105 0.000 1.081 533 V HN 0.490 nan 8.190 nan 0.000 0.474 534 K N 2.066 122.450 120.400 -0.027 0.000 2.419 534 K HA 0.030 4.350 4.320 0.000 0.000 0.282 534 K C -0.659 175.889 176.600 -0.087 0.000 1.056 534 K CA 0.327 56.589 56.287 -0.041 0.000 1.035 534 K CB -0.611 31.876 32.500 -0.022 0.000 0.921 534 K HN 0.611 nan 8.250 nan 0.000 0.472 535 D N 2.373 122.703 120.400 -0.117 0.000 2.343 535 D HA 0.239 4.879 4.640 0.000 0.000 0.255 535 D C -0.657 175.647 176.300 0.007 0.000 1.187 535 D CA 0.465 54.331 54.000 -0.224 0.000 0.875 535 D CB 0.673 41.375 40.800 -0.164 0.000 1.136 535 D HN 0.582 nan 8.370 nan 0.000 0.469 536 S N 0.888 116.653 115.700 0.108 0.000 2.586 536 S HA 0.237 4.707 4.470 0.000 0.000 0.277 536 S C -0.340 174.499 174.600 0.397 0.000 1.131 536 S CA -1.095 57.274 58.200 0.282 0.000 0.848 536 S CB 0.103 63.373 63.200 0.118 0.000 1.091 536 S HN 0.515 nan 8.310 nan 0.000 0.453 537 C N 1.986 121.469 119.300 0.306 0.000 2.401 537 C HA 0.036 4.496 4.460 0.000 0.000 0.386 537 C C 2.395 177.530 174.990 0.242 0.000 1.411 537 C CA 0.612 59.764 59.018 0.223 0.000 1.575 537 C CB -0.715 27.069 27.740 0.073 0.000 2.564 537 C HN 0.743 nan 8.230 nan 0.000 0.580 538 V N 3.433 123.489 119.914 0.238 0.000 2.446 538 V HA 0.127 4.248 4.120 0.000 0.000 0.244 538 V C 1.675 177.837 176.094 0.113 0.000 1.039 538 V CA 1.876 64.293 62.300 0.194 0.000 1.045 538 V CB -1.350 30.598 31.823 0.209 0.000 0.681 538 V HN 1.062 nan 8.190 nan 0.000 0.459 539 G N 0.107 108.957 108.800 0.084 0.000 3.022 539 G HA2 0.497 4.457 3.960 0.000 0.000 0.157 539 G HA3 0.497 4.457 3.960 0.000 0.000 0.157 539 G C -0.102 174.829 174.900 0.050 0.000 1.468 539 G CA 0.522 45.657 45.100 0.058 0.000 1.058 539 G HN 0.654 nan 8.290 nan 0.000 0.581 540 S N -2.060 113.659 115.700 0.033 0.000 2.618 540 S HA 0.737 5.207 4.470 0.000 0.000 0.277 540 S C -1.743 172.861 174.600 0.008 0.000 1.138 540 S CA -0.647 57.568 58.200 0.024 0.000 0.844 540 S CB 2.144 65.361 63.200 0.027 0.000 1.127 540 S HN 1.032 nan 8.310 nan 0.000 0.474 541 L N 1.161 122.385 121.223 0.001 0.000 2.588 541 L HA 0.810 5.150 4.340 0.000 0.000 0.263 541 L C -1.743 175.123 176.870 -0.007 0.000 0.935 541 L CA -0.172 54.662 54.840 -0.009 0.000 0.891 541 L CB 1.725 43.766 42.059 -0.031 0.000 1.318 541 L HN 0.835 nan 8.230 nan 0.000 0.409 542 V N 4.503 124.415 119.914 -0.002 0.000 2.932 542 V HA 0.642 4.762 4.120 0.000 0.000 0.307 542 V C -1.249 174.846 176.094 0.001 0.000 1.147 542 V CA -0.609 61.691 62.300 -0.001 0.000 0.951 542 V CB 2.790 34.615 31.823 0.004 0.000 1.031 542 V HN 0.378 nan 8.190 nan 0.000 0.426 543 V N 5.606 125.520 119.914 0.001 0.000 2.327 543 V HA 0.397 4.517 4.120 0.000 0.000 0.272 543 V C 0.083 176.181 176.094 0.006 0.000 1.019 543 V CA -0.758 61.545 62.300 0.005 0.000 0.814 543 V CB 1.109 32.935 31.823 0.005 0.000 1.040 543 V HN 0.976 nan 8.190 nan 0.000 0.440 544 K N 1.774 122.179 120.400 0.008 0.000 2.583 544 K HA 0.754 5.074 4.320 0.000 0.000 0.263 544 K C 0.419 177.025 176.600 0.011 0.000 1.038 544 K CA -0.622 55.670 56.287 0.009 0.000 1.031 544 K CB 0.745 33.250 32.500 0.008 0.000 1.399 544 K HN 0.353 nan 8.250 nan 0.000 0.531 545 S N -1.560 114.147 115.700 0.011 0.000 2.603 545 S HA 0.282 4.752 4.470 0.000 0.000 0.268 545 S C 0.923 175.530 174.600 0.011 0.000 1.317 545 S CA -0.185 58.023 58.200 0.012 0.000 1.012 545 S CB 0.685 63.892 63.200 0.012 0.000 0.926 545 S HN 0.674 nan 8.310 nan 0.000 0.539 546 G N 1.718 110.525 108.800 0.011 0.000 2.518 546 G HA2 0.042 4.002 3.960 0.000 0.000 0.213 546 G HA3 0.042 4.002 3.960 0.000 0.000 0.213 546 G C 0.144 175.049 174.900 0.010 0.000 1.226 546 G CA -0.095 45.011 45.100 0.010 0.000 0.822 546 G HN 0.832 nan 8.290 nan 0.000 0.546 547 Q N 1.778 121.584 119.800 0.010 0.000 2.283 547 Q HA 0.162 4.502 4.340 0.000 0.000 0.269 547 Q C 0.952 176.957 176.000 0.009 0.000 1.187 547 Q CA 0.335 56.143 55.803 0.009 0.000 0.922 547 Q CB 1.066 29.809 28.738 0.008 0.000 1.323 547 Q HN 0.188 nan 8.270 nan 0.000 0.432 548 S N 2.059 117.764 115.700 0.008 0.000 2.393 548 S HA -0.245 4.225 4.470 0.000 0.000 0.234 548 S C 0.569 175.173 174.600 0.008 0.000 1.064 548 S CA 2.071 60.275 58.200 0.008 0.000 1.088 548 S CB 0.165 63.369 63.200 0.007 0.000 0.939 548 S HN 0.792 nan 8.310 nan 0.000 0.448 549 E N -0.749 119.456 120.200 0.008 0.000 2.367 549 E HA 0.510 4.860 4.350 0.000 0.000 0.273 549 E C -1.595 175.010 176.600 0.008 0.000 0.903 549 E CA -0.691 55.714 56.400 0.008 0.000 0.764 549 E CB 1.736 31.440 29.700 0.007 0.000 1.252 549 E HN 0.166 nan 8.360 nan 0.000 0.446 550 D N 0.362 120.767 120.400 0.008 0.000 2.926 550 D HA 0.190 4.830 4.640 0.000 0.000 0.282 550 D C -1.516 174.789 176.300 0.009 0.000 1.201 550 D CA -0.457 53.548 54.000 0.008 0.000 0.735 550 D CB 1.003 41.809 40.800 0.009 0.000 1.257 550 D HN 0.406 nan 8.370 nan 0.000 0.428 551 R N 0.586 121.090 120.500 0.008 0.000 2.553 551 R HA 0.478 4.818 4.340 0.000 0.000 0.263 551 R C 0.030 176.336 176.300 0.010 0.000 1.066 551 R CA -0.703 55.402 56.100 0.008 0.000 1.135 551 R CB 0.522 30.825 30.300 0.005 0.000 1.148 551 R HN 0.391 nan 8.270 nan 0.000 0.558 552 Q N 1.438 121.245 119.800 0.012 0.000 2.326 552 Q HA -0.029 4.312 4.340 0.000 0.000 0.314 552 Q C -1.947 174.060 176.000 0.010 0.000 1.091 552 Q CA -0.557 55.255 55.803 0.015 0.000 0.974 552 Q CB 0.031 28.780 28.738 0.018 0.000 1.220 552 Q HN 0.298 nan 8.270 nan 0.000 0.398 553 P HA 0.178 nan 4.420 nan 0.000 0.277 553 P C -1.058 176.245 177.300 0.005 0.000 1.276 553 P CA -0.429 62.676 63.100 0.009 0.000 0.788 553 P CB 0.639 32.347 31.700 0.013 0.000 1.114 554 V N 0.625 120.540 119.914 0.001 0.000 2.823 554 V HA 0.349 4.469 4.120 0.000 0.000 0.312 554 V C -2.360 173.732 176.094 -0.003 0.000 1.072 554 V CA -2.219 60.078 62.300 -0.005 0.000 0.937 554 V CB 1.746 33.564 31.823 -0.010 0.000 1.013 554 V HN 0.492 nan 8.190 nan 0.000 0.430 555 P HA 0.107 nan 4.420 nan 0.000 0.255 555 P C 0.827 178.127 177.300 -0.000 0.000 1.161 555 P CA 1.833 64.931 63.100 -0.002 0.000 0.768 555 P CB -0.008 31.686 31.700 -0.010 0.000 0.746 556 G N 1.785 110.587 108.800 0.004 0.000 2.176 556 G HA2 -0.277 3.683 3.960 0.000 0.000 0.253 556 G HA3 -0.277 3.683 3.960 0.000 0.000 0.253 556 G C 0.241 175.143 174.900 0.004 0.000 0.979 556 G CA -0.001 45.102 45.100 0.004 0.000 0.641 556 G HN 0.665 nan 8.290 nan 0.000 0.530 557 Q N 0.348 120.150 119.800 0.004 0.000 2.354 557 Q HA 0.476 4.816 4.340 0.000 0.000 0.244 557 Q C 0.406 176.410 176.000 0.006 0.000 0.969 557 Q CA -0.315 55.490 55.803 0.004 0.000 0.885 557 Q CB 0.416 29.156 28.738 0.003 0.000 1.241 557 Q HN 0.475 nan 8.270 nan 0.000 0.461 558 Q N 2.526 122.329 119.800 0.006 0.000 2.314 558 Q HA 0.305 4.645 4.340 0.000 0.000 0.258 558 Q C -0.919 175.086 176.000 0.008 0.000 0.954 558 Q CA 0.073 55.880 55.803 0.007 0.000 0.890 558 Q CB 0.750 29.491 28.738 0.005 0.000 1.210 558 Q HN 0.655 nan 8.270 nan 0.000 0.410 559 M N 1.942 121.548 119.600 0.010 0.000 2.386 559 M HA 0.422 4.902 4.480 0.000 0.000 0.293 559 M C -1.439 174.868 176.300 0.011 0.000 1.120 559 M CA -0.423 54.883 55.300 0.011 0.000 0.909 559 M CB 2.418 35.026 32.600 0.014 0.000 1.661 559 M HN 0.385 nan 8.290 nan 0.000 0.452 560 T N 4.581 119.141 114.554 0.011 0.000 2.771 560 T HA 0.554 4.904 4.350 0.000 0.000 0.291 560 T C -0.873 173.834 174.700 0.012 0.000 0.954 560 T CA -0.412 61.694 62.100 0.010 0.000 1.045 560 T CB 0.832 69.706 68.868 0.009 0.000 0.917 560 T HN 0.558 nan 8.240 nan 0.000 0.484 561 L N 3.601 124.832 121.223 0.012 0.000 2.309 561 L HA 0.554 4.894 4.340 0.000 0.000 0.282 561 L C -0.053 176.824 176.870 0.012 0.000 1.036 561 L CA -0.345 54.503 54.840 0.013 0.000 0.806 561 L CB 1.271 43.339 42.059 0.014 0.000 1.220 561 L HN 0.452 nan 8.230 nan 0.000 0.429 562 K N 5.158 125.565 120.400 0.012 0.000 2.274 562 K HA 0.602 4.922 4.320 0.000 0.000 0.262 562 K C -1.477 175.130 176.600 0.011 0.000 0.961 562 K CA -0.467 55.827 56.287 0.011 0.000 0.833 562 K CB 0.920 33.426 32.500 0.011 0.000 1.102 562 K HN 0.595 nan 8.250 nan 0.000 0.436 563 I N 3.914 124.491 120.570 0.011 0.000 2.420 563 I HA 0.206 4.376 4.170 0.000 0.000 0.282 563 I C -0.654 175.470 176.117 0.012 0.000 1.019 563 I CA -0.572 60.733 61.300 0.010 0.000 1.130 563 I CB 1.816 39.821 38.000 0.008 0.000 1.262 563 I HN 0.498 nan 8.210 nan 0.000 0.454 564 E N 5.178 125.385 120.200 0.012 0.000 2.055 564 E HA 0.601 4.952 4.350 0.000 0.000 0.274 564 E C 0.055 176.665 176.600 0.016 0.000 0.949 564 E CA -0.384 56.026 56.400 0.016 0.000 0.775 564 E CB 1.830 31.540 29.700 0.015 0.000 1.097 564 E HN 0.800 nan 8.360 nan 0.000 0.404 565 G N 2.311 111.123 108.800 0.020 0.000 2.788 565 G HA2 0.154 4.115 3.960 0.000 0.000 0.293 565 G HA3 0.154 4.115 3.960 0.000 0.000 0.293 565 G C -0.962 173.958 174.900 0.035 0.000 1.392 565 G CA -0.767 44.345 45.100 0.020 0.000 0.810 565 G HN 0.343 nan 8.290 nan 0.000 0.508 566 D N 0.377 120.798 120.400 0.034 0.000 2.455 566 D HA 0.089 4.729 4.640 0.000 0.000 0.241 566 D C 0.226 176.567 176.300 0.069 0.000 1.138 566 D CA 0.645 54.679 54.000 0.056 0.000 0.877 566 D CB 0.909 41.736 40.800 0.045 0.000 1.187 566 D HN 0.407 nan 8.370 nan 0.000 0.451 567 H N 0.228 119.305 119.070 0.012 0.000 3.064 567 H HA 0.131 4.687 4.556 0.000 0.000 0.329 567 H C 1.483 176.818 175.328 0.012 0.000 1.020 567 H CA 1.523 57.578 56.048 0.011 0.000 1.402 567 H CB 0.345 30.113 29.762 0.011 0.000 1.379 567 H HN 0.656 nan 8.280 nan 0.000 0.594 568 G N 2.244 110.691 108.800 -0.588 0.000 2.189 568 G HA2 -0.302 3.658 3.960 0.000 0.000 0.267 568 G HA3 -0.302 3.658 3.960 0.000 0.000 0.267 568 G C 0.566 175.375 174.900 -0.153 0.000 0.975 568 G CA 0.515 45.377 45.100 -0.396 0.000 0.644 568 G HN 1.013 nan 8.290 nan 0.000 0.537 569 A N -0.300 122.464 122.820 -0.094 0.000 2.386 569 A HA 0.675 4.995 4.320 0.000 0.000 0.246 569 A C 0.727 178.289 177.584 -0.037 0.000 1.089 569 A CA 0.881 52.893 52.037 -0.041 0.000 0.790 569 A CB 0.286 19.274 19.000 -0.019 0.000 1.042 569 A HN 1.016 nan 8.150 nan 0.000 0.497 570 R N 0.542 121.034 120.500 -0.012 0.000 2.460 570 R HA 0.575 4.915 4.340 0.000 0.000 0.303 570 R C -1.498 174.811 176.300 0.015 0.000 0.968 570 R CA -0.375 55.726 56.100 0.002 0.000 0.889 570 R CB 1.125 31.436 30.300 0.018 0.000 1.123 570 R HN 0.479 nan 8.270 nan 0.000 0.455 571 V N 5.006 124.929 119.914 0.015 0.000 2.581 571 V HA 0.476 4.596 4.120 0.000 0.000 0.303 571 V C -0.459 175.661 176.094 0.044 0.000 1.041 571 V CA -0.822 61.491 62.300 0.023 0.000 0.907 571 V CB 1.704 33.533 31.823 0.010 0.000 0.994 571 V HN 0.647 nan 8.190 nan 0.000 0.442 572 V N 2.903 122.860 119.914 0.072 0.000 2.483 572 V HA 0.674 4.794 4.120 0.000 0.000 0.297 572 V C -0.631 175.509 176.094 0.076 0.000 1.027 572 V CA -0.582 61.768 62.300 0.084 0.000 0.855 572 V CB 1.295 33.202 31.823 0.139 0.000 0.995 572 V HN 0.672 nan 8.190 nan 0.000 0.424 573 L N 4.661 125.916 121.223 0.053 0.000 2.352 573 L HA 0.919 5.259 4.340 0.000 0.000 0.269 573 L C -0.312 176.591 176.870 0.054 0.000 1.034 573 L CA -0.970 53.899 54.840 0.047 0.000 0.806 573 L CB 1.982 44.061 42.059 0.033 0.000 1.244 573 L HN 0.670 nan 8.230 nan 0.000 0.447 574 V N 0.998 120.946 119.914 0.058 0.000 2.966 574 V HA 0.776 4.897 4.120 0.000 0.000 0.288 574 V C -1.570 174.564 176.094 0.067 0.000 1.380 574 V CA -0.250 62.088 62.300 0.063 0.000 0.966 574 V CB 2.044 33.915 31.823 0.080 0.000 1.115 574 V HN 0.863 nan 8.190 nan 0.000 0.436 575 A N 5.386 128.243 122.820 0.061 0.000 2.355 575 A HA 0.944 5.264 4.320 0.000 0.000 0.317 575 A C -1.249 176.377 177.584 0.070 0.000 1.094 575 A CA -0.570 51.508 52.037 0.068 0.000 0.764 575 A CB 2.017 21.049 19.000 0.053 0.000 1.230 575 A HN 1.471 nan 8.150 nan 0.000 0.448 576 V N 2.370 122.346 119.914 0.102 0.000 2.525 576 V HA 0.244 4.364 4.120 0.000 0.000 0.299 576 V C -0.389 175.751 176.094 0.076 0.000 1.034 576 V CA -0.894 61.444 62.300 0.064 0.000 0.863 576 V CB 1.704 33.570 31.823 0.071 0.000 0.999 576 V HN 0.971 nan 8.190 nan 0.000 0.423 577 D N 3.852 124.256 120.400 0.007 0.000 2.570 577 D HA -0.042 4.598 4.640 0.000 0.000 0.243 577 D C 1.116 177.425 176.300 0.015 0.000 1.171 577 D CA 0.526 54.537 54.000 0.019 0.000 0.879 577 D CB 0.812 41.608 40.800 -0.008 0.000 1.143 577 D HN 0.531 nan 8.370 nan 0.000 0.511 578 K N 2.355 122.833 120.400 0.130 0.000 2.585 578 K HA -0.066 4.254 4.320 0.000 0.000 0.194 578 K C 1.760 178.434 176.600 0.123 0.000 1.037 578 K CA 0.533 56.980 56.287 0.267 0.000 0.964 578 K CB 0.105 32.740 32.500 0.224 0.000 0.787 578 K HN 0.507 nan 8.250 nan 0.000 0.488 579 G N 0.659 109.464 108.800 0.008 0.000 2.422 579 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 579 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 579 G C 1.480 176.285 174.900 -0.158 0.000 1.140 579 G CA 0.265 45.333 45.100 -0.053 0.000 0.775 579 G HN 0.078 nan 8.290 nan 0.000 0.545 580 V N 0.839 120.590 119.914 -0.271 0.000 2.231 580 V HA -0.205 3.915 4.120 0.000 0.000 0.248 580 V C 2.458 178.305 176.094 -0.412 0.000 1.054 580 V CA 1.814 63.835 62.300 -0.465 0.000 1.015 580 V CB -0.763 30.652 31.823 -0.680 0.000 0.638 580 V HN 0.358 nan 8.190 nan 0.000 0.444 581 F N -0.046 119.831 119.950 -0.121 0.000 2.529 581 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 581 F C 1.950 177.686 175.800 -0.107 0.000 1.114 581 F CA 0.814 58.753 58.000 -0.100 0.000 1.467 581 F CB -0.995 37.966 39.000 -0.064 0.000 1.096 581 F HN 0.019 nan 8.300 nan 0.000 0.586 582 V N -0.731 119.175 119.914 -0.013 0.000 3.406 582 V HA -0.102 4.018 4.120 0.000 0.000 0.263 582 V C 1.940 177.960 176.094 -0.123 0.000 1.172 582 V CA 0.909 63.168 62.300 -0.069 0.000 1.140 582 V CB -0.329 31.422 31.823 -0.121 0.000 0.784 582 V HN 0.359 nan 8.190 nan 0.000 0.467 583 L N -0.373 120.744 121.223 -0.177 0.000 2.357 583 L HA 0.315 4.655 4.340 0.000 0.000 0.211 583 L C 0.730 177.504 176.870 -0.159 0.000 1.075 583 L CA 0.576 55.285 54.840 -0.218 0.000 0.830 583 L CB 0.338 42.156 42.059 -0.403 0.000 0.996 583 L HN 0.405 nan 8.230 nan 0.000 0.467 584 N N 0.159 118.781 118.700 -0.131 0.000 2.600 584 N HA 0.076 4.816 4.740 0.000 0.000 0.272 584 N C -0.689 174.858 175.510 0.062 0.000 1.095 584 N CA -0.228 52.792 53.050 -0.049 0.000 0.993 584 N CB 1.398 39.840 38.487 -0.075 0.000 1.603 584 N HN 0.082 nan 8.380 nan 0.000 0.526 585 K N 1.271 121.737 120.400 0.109 0.000 2.478 585 K HA 0.329 4.649 4.320 0.000 0.000 0.205 585 K C -0.282 176.397 176.600 0.132 0.000 1.033 585 K CA -0.321 56.084 56.287 0.197 0.000 1.091 585 K CB 0.466 33.034 32.500 0.113 0.000 0.844 585 K HN 0.216 nan 8.250 nan 0.000 0.507 586 K N 1.117 121.581 120.400 0.106 0.000 2.098 586 K HA 0.261 4.581 4.320 0.000 0.000 0.258 586 K C -0.533 176.135 176.600 0.112 0.000 0.973 586 K CA -0.753 55.586 56.287 0.086 0.000 0.898 586 K CB 0.890 33.428 32.500 0.063 0.000 1.057 586 K HN 0.124 nan 8.250 nan 0.000 0.447 587 N N 0.097 118.858 118.700 0.102 0.000 2.901 587 N HA -0.158 4.582 4.740 0.000 0.000 0.248 587 N C -1.095 174.499 175.510 0.140 0.000 1.044 587 N CA 0.715 53.839 53.050 0.123 0.000 0.847 587 N CB -0.687 37.888 38.487 0.147 0.000 1.127 587 N HN 0.486 nan 8.380 nan 0.000 0.562 588 K N 0.296 120.771 120.400 0.125 0.000 2.180 588 K HA 0.278 4.598 4.320 0.000 0.000 0.251 588 K C -0.079 176.574 176.600 0.088 0.000 1.014 588 K CA -0.468 55.892 56.287 0.122 0.000 0.913 588 K CB 0.549 33.100 32.500 0.085 0.000 1.008 588 K HN -0.010 nan 8.250 nan 0.000 0.490 589 L N 1.220 122.489 121.223 0.078 0.000 2.326 589 L HA 0.285 4.625 4.340 0.000 0.000 0.278 589 L C -0.557 176.289 176.870 -0.041 0.000 1.092 589 L CA 0.692 55.550 54.840 0.031 0.000 0.810 589 L CB 1.306 43.389 42.059 0.041 0.000 1.153 589 L HN 0.544 nan 8.230 nan 0.000 0.439 590 T N 3.250 117.755 114.554 -0.082 0.000 2.903 590 T HA 0.208 4.558 4.350 0.000 0.000 0.299 590 T C 0.358 174.934 174.700 -0.206 0.000 1.093 590 T CA -0.213 61.821 62.100 -0.110 0.000 1.002 590 T CB 1.941 70.773 68.868 -0.061 0.000 1.127 590 T HN 0.615 nan 8.240 nan 0.000 0.488 591 Q N 1.024 120.686 119.800 -0.230 0.000 2.230 591 Q HA 0.009 4.349 4.340 0.000 0.000 0.202 591 Q C 1.961 177.745 176.000 -0.361 0.000 0.963 591 Q CA 1.546 57.114 55.803 -0.392 0.000 0.866 591 Q CB -0.148 28.393 28.738 -0.328 0.000 0.931 591 Q HN 0.604 nan 8.270 nan 0.000 0.452 592 S N 0.190 115.821 115.700 -0.116 0.000 2.423 592 S HA -0.070 4.400 4.470 0.000 0.000 0.231 592 S C 1.482 176.088 174.600 0.011 0.000 1.014 592 S CA 0.991 59.212 58.200 0.035 0.000 0.965 592 S CB -0.074 63.166 63.200 0.066 0.000 0.785 592 S HN 0.382 nan 8.310 nan 0.000 0.495 593 K N 0.905 121.274 120.400 -0.052 0.000 2.155 593 K HA 0.092 4.412 4.320 0.000 0.000 0.203 593 K C 1.831 178.421 176.600 -0.016 0.000 1.052 593 K CA 0.911 57.195 56.287 -0.004 0.000 0.948 593 K CB -0.244 32.266 32.500 0.015 0.000 0.728 593 K HN 0.367 nan 8.250 nan 0.000 0.448 594 I N -0.641 119.805 120.570 -0.207 0.000 2.233 594 I HA -0.216 3.954 4.170 0.000 0.000 0.243 594 I C 1.948 177.956 176.117 -0.182 0.000 1.093 594 I CA 1.248 62.363 61.300 -0.309 0.000 1.380 594 I CB -0.340 37.151 38.000 -0.848 0.000 1.067 594 I HN 0.274 nan 8.210 nan 0.000 0.413 595 W N 1.432 122.698 121.300 -0.056 0.000 2.325 595 W HA -0.281 4.379 4.660 -0.000 0.000 0.299 595 W C 2.233 178.749 176.519 -0.005 0.000 1.215 595 W CA 0.931 58.261 57.345 -0.024 0.000 1.244 595 W CB -0.384 29.073 29.460 -0.006 0.000 1.140 595 W HN 0.209 nan 8.180 nan 0.000 0.523 596 D N -0.205 120.321 120.400 0.209 0.000 2.178 596 D HA -0.161 4.479 4.640 0.000 0.000 0.202 596 D C 1.934 178.295 176.300 0.102 0.000 0.974 596 D CA 1.139 55.225 54.000 0.145 0.000 0.841 596 D CB -0.060 40.806 40.800 0.110 0.000 0.953 596 D HN -0.101 nan 8.370 nan 0.000 0.478 597 V N -0.329 119.623 119.914 0.064 0.000 2.427 597 V HA -0.164 3.956 4.120 0.000 0.000 0.248 597 V C 2.374 178.437 176.094 -0.052 0.000 1.051 597 V CA 1.126 63.419 62.300 -0.012 0.000 1.048 597 V CB -0.010 31.764 31.823 -0.081 0.000 0.666 597 V HN 0.178 nan 8.190 nan 0.000 0.456 598 V N -0.772 119.133 119.914 -0.016 0.000 2.548 598 V HA -0.126 3.994 4.120 0.000 0.000 0.249 598 V C 2.468 178.668 176.094 0.175 0.000 1.055 598 V CA 1.438 63.809 62.300 0.118 0.000 1.065 598 V CB -0.499 31.483 31.823 0.266 0.000 0.681 598 V HN 0.512 nan 8.190 nan 0.000 0.462 599 E N 0.565 120.848 120.200 0.139 0.000 2.072 599 E HA -0.144 4.206 4.350 0.000 0.000 0.190 599 E C 2.178 178.822 176.600 0.073 0.000 0.982 599 E CA 0.821 57.268 56.400 0.078 0.000 0.803 599 E CB -0.118 29.634 29.700 0.086 0.000 0.755 599 E HN 0.515 nan 8.360 nan 0.000 0.453 600 K N 0.252 120.710 120.400 0.095 0.000 2.519 600 K HA -0.031 4.289 4.320 0.000 0.000 0.196 600 K C 1.290 177.955 176.600 0.108 0.000 1.041 600 K CA 0.624 56.964 56.287 0.089 0.000 0.954 600 K CB 0.118 32.666 32.500 0.081 0.000 0.774 600 K HN -0.039 nan 8.250 nan 0.000 0.480 601 A N 0.970 123.883 122.820 0.154 0.000 2.460 601 A HA 0.023 4.343 4.320 0.000 0.000 0.258 601 A C -0.196 177.476 177.584 0.147 0.000 1.300 601 A CA -0.321 51.841 52.037 0.208 0.000 0.913 601 A CB 0.034 19.273 19.000 0.398 0.000 1.031 601 A HN 0.075 nan 8.150 nan 0.000 0.512 602 D N 0.361 120.801 120.400 0.068 0.000 2.341 602 D HA 0.248 4.888 4.640 0.000 0.000 0.245 602 D C 1.336 177.639 176.300 0.006 0.000 1.106 602 D CA -0.188 53.812 54.000 -0.000 0.000 0.905 602 D CB 0.735 41.468 40.800 -0.113 0.000 1.202 602 D HN 0.363 nan 8.370 nan 0.000 0.426 603 I N 0.148 120.714 120.570 -0.007 0.000 3.228 603 I HA 0.304 4.474 4.170 0.000 0.000 0.279 603 I C 1.255 177.370 176.117 -0.004 0.000 1.221 603 I CA -0.393 60.909 61.300 0.003 0.000 1.458 603 I CB -0.124 37.877 38.000 0.002 0.000 1.105 603 I HN 0.202 nan 8.210 nan 0.000 0.445 604 G N 0.551 109.328 108.800 -0.038 0.000 2.370 604 G HA2 0.350 4.310 3.960 0.000 0.000 0.272 604 G HA3 0.350 4.310 3.960 0.000 0.000 0.272 604 G C 0.138 175.025 174.900 -0.022 0.000 1.208 604 G CA -0.352 44.726 45.100 -0.037 0.000 0.856 604 G HN 0.452 nan 8.290 nan 0.000 0.500 605 c N 1.354 119.974 118.600 0.033 0.000 3.336 605 c HA 0.366 4.936 4.570 0.000 0.000 0.291 605 c C 1.180 175.336 174.090 0.110 0.000 1.363 605 c CA -0.204 56.164 56.329 0.066 0.000 1.737 605 c CB -0.878 41.669 42.510 0.062 0.000 2.274 605 c HN 0.635 nan 8.230 nan 0.000 0.663 606 T N 1.664 116.293 114.554 0.125 0.000 2.887 606 T HA 0.319 4.669 4.350 0.000 0.000 0.288 606 T C -1.889 172.964 174.700 0.254 0.000 1.021 606 T CA -0.441 61.750 62.100 0.151 0.000 1.000 606 T CB 2.203 71.138 68.868 0.111 0.000 1.034 606 T HN -0.133 nan 8.240 nan 0.000 0.467 607 P HA 0.159 nan 4.420 nan 0.000 0.215 607 P C 0.413 177.843 177.300 0.217 0.000 1.157 607 P CA 0.685 63.945 63.100 0.266 0.000 0.863 607 P CB 0.187 31.905 31.700 0.031 0.000 0.787 608 G N -2.972 105.915 108.800 0.145 0.000 2.698 608 G HA2 0.513 4.474 3.960 0.000 0.000 0.293 608 G HA3 0.513 4.474 3.960 0.000 0.000 0.293 608 G C -0.839 174.137 174.900 0.127 0.000 1.437 608 G CA 0.197 45.370 45.100 0.123 0.000 0.852 608 G HN 0.094 nan 8.290 nan 0.000 0.499 609 S N -2.170 113.583 115.700 0.089 0.000 3.740 609 S HA 0.347 4.817 4.470 0.000 0.000 0.637 609 S C 0.326 175.016 174.600 0.151 0.000 2.126 609 S CA 1.314 59.568 58.200 0.089 0.000 2.309 609 S CB -0.955 62.331 63.200 0.143 0.000 0.330 609 S HN 2.667 nan 8.310 nan 0.000 1.786 610 G N 0.138 109.060 108.800 0.203 0.000 2.718 610 G HA2 0.559 4.519 3.960 0.000 0.000 0.295 610 G HA3 0.559 4.519 3.960 0.000 0.000 0.295 610 G C 0.111 175.112 174.900 0.167 0.000 1.421 610 G CA 0.314 45.558 45.100 0.240 0.000 0.902 610 G HN 0.938 nan 8.290 nan 0.000 0.501 611 K N -0.755 119.603 120.400 -0.070 0.000 2.097 611 K HA -0.037 4.283 4.320 0.000 0.000 0.206 611 K C 0.268 176.729 176.600 -0.231 0.000 1.049 611 K CA 1.765 57.725 56.287 -0.545 0.000 0.933 611 K CB -0.125 32.150 32.500 -0.376 0.000 0.717 611 K HN 0.520 nan 8.250 nan 0.000 0.442 612 D N -1.181 119.196 120.400 -0.038 0.000 2.636 612 D HA -0.034 4.606 4.640 0.000 0.000 0.275 612 D C 1.075 177.532 176.300 0.261 0.000 1.130 612 D CA -0.761 53.208 54.000 -0.051 0.000 1.031 612 D CB -0.025 40.764 40.800 -0.018 0.000 1.451 612 D HN 0.143 nan 8.370 nan 0.000 0.505 613 Y N -0.534 119.830 120.300 0.107 0.000 2.181 613 Y HA -0.135 4.415 4.550 0.000 0.000 0.284 613 Y C 1.820 177.855 175.900 0.225 0.000 1.179 613 Y CA 1.977 60.215 58.100 0.231 0.000 1.179 613 Y CB -0.577 37.913 38.460 0.049 0.000 0.973 613 Y HN 0.346 nan 8.280 nan 0.000 0.519 614 A N 0.582 122.888 122.820 -0.857 0.000 2.208 614 A HA 0.268 4.588 4.320 0.000 0.000 0.209 614 A C 2.182 179.657 177.584 -0.181 0.000 1.161 614 A CA 0.705 52.253 52.037 -0.815 0.000 0.782 614 A CB -1.064 17.405 19.000 -0.885 0.000 0.816 614 A HN 0.659 nan 8.150 nan 0.000 0.477 615 G N -0.652 108.129 108.800 -0.032 0.000 2.471 615 G HA2 0.038 3.998 3.960 0.000 0.000 0.211 615 G HA3 0.038 3.998 3.960 0.000 0.000 0.211 615 G C 1.404 176.365 174.900 0.102 0.000 1.194 615 G CA 0.861 45.998 45.100 0.061 0.000 0.816 615 G HN 0.160 nan 8.290 nan 0.000 0.545 616 V N 0.638 120.620 119.914 0.113 0.000 2.311 616 V HA -0.300 3.821 4.120 0.000 0.000 0.259 616 V C 2.552 178.603 176.094 -0.072 0.000 1.086 616 V CA 2.196 64.506 62.300 0.017 0.000 1.078 616 V CB -0.540 31.258 31.823 -0.042 0.000 0.668 616 V HN 0.368 nan 8.190 nan 0.000 0.452 617 F N -0.674 119.248 119.950 -0.047 0.000 2.234 617 F HA -0.080 4.447 4.527 0.000 0.000 0.296 617 F C 2.660 178.456 175.800 -0.006 0.000 1.089 617 F CA 1.676 59.654 58.000 -0.037 0.000 1.343 617 F CB -0.348 38.600 39.000 -0.086 0.000 1.040 617 F HN 0.104 nan 8.300 nan 0.000 0.498 618 S N -0.816 114.976 115.700 0.153 0.000 2.501 618 S HA -0.080 4.390 4.470 0.000 0.000 0.220 618 S C 1.597 176.244 174.600 0.079 0.000 0.997 618 S CA 0.716 58.977 58.200 0.102 0.000 0.919 618 S CB -0.293 62.952 63.200 0.075 0.000 0.778 618 S HN 0.179 nan 8.310 nan 0.000 0.523 619 D N 2.144 122.590 120.400 0.076 0.000 2.085 619 D HA 0.177 4.817 4.640 0.000 0.000 0.199 619 D C 1.155 177.481 176.300 0.043 0.000 0.981 619 D CA 1.106 55.149 54.000 0.072 0.000 0.834 619 D CB -0.682 40.176 40.800 0.097 0.000 0.992 619 D HN 0.481 nan 8.370 nan 0.000 0.457 620 A N 0.217 123.048 122.820 0.017 0.000 2.406 620 A HA 0.452 4.772 4.320 0.000 0.000 0.243 620 A C 1.038 178.632 177.584 0.016 0.000 1.082 620 A CA 0.339 52.373 52.037 -0.005 0.000 0.786 620 A CB 0.067 19.047 19.000 -0.033 0.000 1.029 620 A HN 0.184 nan 8.150 nan 0.000 0.495 621 G N 0.408 109.214 108.800 0.010 0.000 2.852 621 G HA2 0.469 4.430 3.960 0.000 0.000 0.280 621 G HA3 0.469 4.430 3.960 0.000 0.000 0.280 621 G C -0.376 174.558 174.900 0.057 0.000 0.731 621 G CA 0.065 45.182 45.100 0.028 0.000 2.037 621 G HN 0.504 nan 8.290 nan 0.000 0.560 622 L N 0.711 121.989 121.223 0.093 0.000 2.469 622 L HA 0.623 4.963 4.340 0.000 0.000 0.256 622 L C -0.186 176.804 176.870 0.199 0.000 1.006 622 L CA -1.014 53.921 54.840 0.157 0.000 0.832 622 L CB 2.960 45.139 42.059 0.200 0.000 1.421 622 L HN 0.366 nan 8.230 nan 0.000 0.410 623 T N -1.442 113.230 114.554 0.198 0.000 2.893 623 T HA 0.621 4.971 4.350 0.000 0.000 0.293 623 T C -1.107 173.670 174.700 0.127 0.000 1.027 623 T CA -0.554 61.633 62.100 0.144 0.000 0.988 623 T CB 2.168 71.079 68.868 0.073 0.000 1.043 623 T HN 0.355 nan 8.240 nan 0.000 0.461 624 F N 1.850 121.685 119.950 -0.192 0.000 2.500 624 F HA 0.567 5.094 4.527 0.000 0.000 0.349 624 F C -0.725 174.953 175.800 -0.204 0.000 1.127 624 F CA -0.246 57.534 58.000 -0.368 0.000 0.998 624 F CB 1.555 39.905 39.000 -1.084 0.000 1.237 624 F HN 0.712 nan 8.300 nan 0.000 0.439 625 T N 4.265 118.596 114.554 -0.372 0.000 2.809 625 T HA 0.468 4.818 4.350 0.000 0.000 0.284 625 T C -0.609 173.913 174.700 -0.297 0.000 0.992 625 T CA -0.670 61.316 62.100 -0.189 0.000 0.957 625 T CB 1.298 70.124 68.868 -0.071 0.000 0.942 625 T HN 0.596 nan 8.240 nan 0.000 0.439 626 S N 1.467 117.102 115.700 -0.107 0.000 2.607 626 S HA 0.503 4.973 4.470 0.000 0.000 0.303 626 S C 1.600 176.242 174.600 0.071 0.000 1.086 626 S CA -0.331 57.852 58.200 -0.028 0.000 0.995 626 S CB 1.573 64.865 63.200 0.153 0.000 1.084 626 S HN 0.613 nan 8.310 nan 0.000 0.507 627 S N 2.240 118.002 115.700 0.104 0.000 2.368 627 S HA -0.179 4.291 4.470 0.000 0.000 0.226 627 S C 1.659 176.316 174.600 0.094 0.000 1.044 627 S CA 1.748 60.027 58.200 0.131 0.000 1.062 627 S CB -1.511 61.808 63.200 0.199 0.000 0.931 627 S HN 0.765 nan 8.310 nan 0.000 0.440 628 S N 1.022 116.771 115.700 0.082 0.000 2.584 628 S HA 0.315 4.785 4.470 0.000 0.000 0.240 628 S C 1.570 176.209 174.600 0.064 0.000 0.975 628 S CA 0.648 58.885 58.200 0.061 0.000 0.949 628 S CB -0.774 62.454 63.200 0.046 0.000 0.761 628 S HN 1.178 nan 8.310 nan 0.000 0.536 629 G N 0.891 109.740 108.800 0.081 0.000 2.179 629 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 629 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 629 G C -0.036 174.926 174.900 0.103 0.000 0.977 629 G CA -0.199 44.946 45.100 0.075 0.000 0.641 629 G HN 0.520 nan 8.290 nan 0.000 0.533 630 Q N 1.458 121.347 119.800 0.150 0.000 2.641 630 Q HA 0.404 4.744 4.340 0.000 0.000 0.225 630 Q C 0.857 177.051 176.000 0.324 0.000 1.309 630 Q CA 0.306 56.247 55.803 0.230 0.000 0.935 630 Q CB 0.164 29.015 28.738 0.189 0.000 1.557 630 Q HN 0.832 nan 8.270 nan 0.000 0.563 631 Q N -0.373 119.546 119.800 0.199 0.000 2.193 631 Q HA 0.551 4.891 4.340 0.000 0.000 0.246 631 Q C -0.373 175.660 176.000 0.055 0.000 0.959 631 Q CA -0.861 55.018 55.803 0.128 0.000 0.904 631 Q CB 1.065 29.838 28.738 0.059 0.000 1.238 631 Q HN 0.358 nan 8.270 nan 0.000 0.469 632 T N -1.909 112.640 114.554 -0.008 0.000 2.913 632 T HA 0.566 4.917 4.350 0.000 0.000 0.287 632 T C 0.361 175.044 174.700 -0.027 0.000 1.008 632 T CA -0.416 61.641 62.100 -0.072 0.000 1.067 632 T CB 1.019 69.858 68.868 -0.049 0.000 0.996 632 T HN 0.767 nan 8.240 nan 0.000 0.513 633 A N 3.173 125.976 122.820 -0.029 0.000 2.563 633 A HA 0.107 4.428 4.320 0.000 0.000 0.256 633 A C 0.905 178.486 177.584 -0.005 0.000 1.056 633 A CA -0.190 51.841 52.037 -0.009 0.000 0.775 633 A CB -0.580 18.420 19.000 0.001 0.000 0.973 633 A HN 0.937 nan 8.150 nan 0.000 0.516 634 Q N 2.474 122.262 119.800 -0.021 0.000 2.354 634 Q HA -0.023 4.317 4.340 0.000 0.000 0.310 634 Q C -0.042 175.957 176.000 -0.002 0.000 1.104 634 Q CA 0.577 56.359 55.803 -0.036 0.000 0.968 634 Q CB 0.380 29.059 28.738 -0.098 0.000 1.251 634 Q HN 0.742 nan 8.270 nan 0.000 0.411 635 R N 2.345 122.861 120.500 0.027 0.000 2.295 635 R HA 0.506 4.846 4.340 0.000 0.000 0.324 635 R C -0.879 175.514 176.300 0.155 0.000 0.968 635 R CA 0.404 56.548 56.100 0.074 0.000 0.837 635 R CB 0.956 31.302 30.300 0.077 0.000 1.133 635 R HN 0.704 nan 8.270 nan 0.000 0.450 636 A N 3.935 126.856 122.820 0.167 0.000 2.605 636 A HA 0.178 4.498 4.320 0.000 0.000 0.292 636 A C -0.546 177.152 177.584 0.189 0.000 1.055 636 A CA -0.314 51.916 52.037 0.321 0.000 0.969 636 A CB 0.532 19.719 19.000 0.312 0.000 1.236 636 A HN 0.623 nan 8.150 nan 0.000 0.534 637 E N -0.103 120.163 120.200 0.111 0.000 2.176 637 E HA 0.631 4.981 4.350 0.000 0.000 0.267 637 E C 0.593 177.217 176.600 0.040 0.000 0.893 637 E CA -0.522 55.917 56.400 0.066 0.000 0.761 637 E CB 1.082 30.817 29.700 0.058 0.000 1.133 637 E HN 0.225 nan 8.360 nan 0.000 0.409 638 L N 2.008 123.240 121.223 0.015 0.000 2.005 638 L HA -0.066 4.274 4.340 0.000 0.000 0.207 638 L C 0.831 177.712 176.870 0.018 0.000 1.072 638 L CA 1.035 55.876 54.840 0.002 0.000 0.744 638 L CB -0.319 41.730 42.059 -0.016 0.000 0.895 638 L HN 0.508 nan 8.230 nan 0.000 0.433 639 Q N -1.164 118.649 119.800 0.022 0.000 2.317 639 Q HA 0.225 4.565 4.340 0.000 0.000 0.229 639 Q C -0.155 175.867 176.000 0.036 0.000 0.984 639 Q CA -0.456 55.365 55.803 0.030 0.000 0.911 639 Q CB 1.098 29.852 28.738 0.027 0.000 1.217 639 Q HN 0.196 nan 8.270 nan 0.000 0.501 640 c N 1.902 120.525 118.600 0.040 0.000 2.767 640 c HA 0.168 4.738 4.570 0.000 0.000 0.353 640 c C -1.822 172.295 174.090 0.045 0.000 1.376 640 c CA -0.834 55.522 56.329 0.045 0.000 2.284 640 c CB -0.877 41.662 42.510 0.048 0.000 2.535 640 c HN 0.653 nan 8.230 nan 0.000 0.745 641 P HA 0.050 nan 4.420 nan 0.000 0.257 641 P C -0.565 176.762 177.300 0.045 0.000 1.189 641 P CA 0.619 63.748 63.100 0.048 0.000 0.780 641 P CB -0.048 31.684 31.700 0.053 0.000 0.772 642 Q N 4.251 124.075 119.800 0.040 0.000 2.618 642 Q HA -0.074 4.266 4.340 0.000 0.000 0.344 642 Q C -1.304 174.720 176.000 0.039 0.000 1.073 642 Q CA -0.676 55.149 55.803 0.036 0.000 1.105 642 Q CB -0.634 28.123 28.738 0.032 0.000 1.028 642 Q HN 0.448 nan 8.270 nan 0.000 0.397 643 P HA 0.000 nan 4.420 nan 0.000 0.216 643 P CA 0.000 63.127 63.100 0.044 0.000 0.800 643 P CB 0.000 31.726 31.700 0.044 0.000 0.726