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 1t90_1_A DATA FIRST_RESID 3 DATA SEQUENCE EIRKLKNYIN GEWVESKTDQ YEDVVNPATK EVLCQVPIST KEDIDYAAQT DATA SEQUENCE AAEAFKTWSK VAVPRRARIL FNFQQLLSQH KEELAHLITI ENGKNTKEAL DATA SEQUENCE GEVGRGIENV EFAAGAPSLM MGDSLASIAT DVEAANYRYP IGVVGGIAPF DATA SEQUENCE NFPMMVPCWM FPMAIALGNT FILKPSERTP LLTEKLVELF EKAGLPKGVF DATA SEQUENCE NVVYGAHDVV NGILEHPEIK AISFVGSKPV GEYVYKKGSE NLKRVQSLTG DATA SEQUENCE AKNHTIVLND ANLEDTVTNI VGAAFGSAGE RCMACAVVTV EEGIADEFMA DATA SEQUENCE KLQEKVADIK IGNGLDDGVF LGPVIREDNK KRTLSYIEKG LEEGARLVCD DATA SEQUENCE GRENVSDDGY FVGPTIFDNV TTEMTIWKDE IFAPVLSVIR VKNLKEAIEI DATA SEQUENCE ANKSEFANGA CLFTSNSNAI RYFRENIDAG MLGINLGVPA PMAFFPFSGW DATA SEQUENCE KSSFFGTLHA NGKDSVDFYT RKKVVTARYP APDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.574 176.600 -0.043 0.000 1.382 3 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 3 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 4 I N 3.641 124.181 120.570 -0.050 0.000 2.379 4 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 4 I C 0.881 176.953 176.117 -0.074 0.000 1.063 4 I CA 0.009 61.276 61.300 -0.055 0.000 1.351 4 I CB 0.025 37.992 38.000 -0.054 0.000 1.410 4 I HN 0.211 nan 8.210 nan 0.000 0.505 5 R N 6.068 126.525 120.500 -0.071 0.000 2.537 5 R HA 0.108 4.448 4.340 -0.000 0.000 0.280 5 R C -0.321 175.921 176.300 -0.096 0.000 1.058 5 R CA -0.119 55.931 56.100 -0.083 0.000 1.057 5 R CB 0.604 30.855 30.300 -0.081 0.000 0.973 5 R HN 0.471 nan 8.270 nan 0.000 0.438 6 K N 4.438 124.772 120.400 -0.110 0.000 2.263 6 K HA 0.182 4.502 4.320 -0.000 0.000 0.272 6 K C -0.645 175.939 176.600 -0.026 0.000 1.033 6 K CA -0.778 55.447 56.287 -0.104 0.000 0.884 6 K CB 1.167 33.512 32.500 -0.259 0.000 1.107 6 K HN 0.276 nan 8.250 nan 0.000 0.460 7 L N 2.990 124.201 121.223 -0.020 0.000 2.483 7 L HA 0.073 4.413 4.340 -0.000 0.000 0.275 7 L C 0.333 177.266 176.870 0.106 0.000 1.220 7 L CA 0.910 55.712 54.840 -0.063 0.000 0.833 7 L CB 0.134 42.020 42.059 -0.288 0.000 1.102 7 L HN 0.500 nan 8.230 nan 0.000 0.490 8 K N 1.436 121.956 120.400 0.200 0.000 2.350 8 K HA 0.432 4.752 4.320 -0.000 0.000 0.241 8 K C -0.659 176.333 176.600 0.653 0.000 0.994 8 K CA -0.871 55.648 56.287 0.388 0.000 0.839 8 K CB 1.375 34.108 32.500 0.390 0.000 1.244 8 K HN 0.529 nan 8.250 nan 0.000 0.443 9 N N 0.108 119.109 118.700 0.502 0.000 2.463 9 N HA 0.139 4.879 4.740 -0.000 0.000 0.270 9 N C -1.440 174.234 175.510 0.273 0.000 1.205 9 N CA -0.362 52.911 53.050 0.371 0.000 0.974 9 N CB 0.512 39.110 38.487 0.186 0.000 1.197 9 N HN 0.356 nan 8.380 nan 0.000 0.504 10 Y N 1.778 121.939 120.300 -0.231 0.000 2.376 10 Y HA 0.513 5.063 4.550 -0.000 0.000 0.326 10 Y C -1.302 174.317 175.900 -0.468 0.000 0.970 10 Y CA -0.555 57.164 58.100 -0.635 0.000 1.248 10 Y CB 0.347 38.084 38.460 -1.205 0.000 1.117 10 Y HN 0.335 nan 8.280 nan 0.000 0.476 11 I N 5.301 125.458 120.570 -0.688 0.000 2.569 11 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 11 I C -0.231 175.502 176.117 -0.640 0.000 1.088 11 I CA -1.205 59.745 61.300 -0.584 0.000 1.047 11 I CB 1.927 39.695 38.000 -0.386 0.000 1.237 11 I HN 0.675 nan 8.210 nan 0.000 0.421 12 N N 4.468 122.812 118.700 -0.593 0.000 2.758 12 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 12 N C 0.703 175.926 175.510 -0.478 0.000 1.076 12 N CA 1.376 54.160 53.050 -0.444 0.000 0.696 12 N CB -0.740 37.562 38.487 -0.309 0.000 0.979 12 N HN 1.195 nan 8.380 nan 0.000 0.550 13 G N -1.234 107.125 108.800 -0.734 0.000 2.153 13 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.252 13 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.252 13 G C -0.175 174.335 174.900 -0.649 0.000 0.994 13 G CA 0.729 45.475 45.100 -0.589 0.000 0.698 13 G HN 0.654 nan 8.290 nan 0.000 0.521 14 E N -1.963 117.610 120.200 -1.046 0.000 2.392 14 E HA 0.416 4.766 4.350 -0.000 0.000 0.279 14 E C -0.945 175.350 176.600 -0.510 0.000 0.964 14 E CA -1.103 54.982 56.400 -0.525 0.000 0.777 14 E CB 1.210 30.800 29.700 -0.184 0.000 1.249 14 E HN 0.225 nan 8.360 nan 0.000 0.449 15 W N 2.698 124.053 121.300 0.092 0.000 2.356 15 W HA 0.342 5.002 4.660 -0.000 0.000 0.311 15 W C -0.157 176.407 176.519 0.076 0.000 1.328 15 W CA -0.369 57.067 57.345 0.152 0.000 1.251 15 W CB 0.627 30.194 29.460 0.178 0.000 1.280 15 W HN 0.149 nan 8.180 nan 0.000 0.524 16 V N 0.643 120.721 119.914 0.273 0.000 2.735 16 V HA 0.399 4.519 4.120 -0.000 0.000 0.310 16 V C -0.197 176.021 176.094 0.208 0.000 1.061 16 V CA -1.681 60.732 62.300 0.188 0.000 0.913 16 V CB 1.600 33.496 31.823 0.122 0.000 1.005 16 V HN 0.570 nan 8.190 nan 0.000 0.428 17 E N 2.400 122.699 120.200 0.165 0.000 2.415 17 E HA 0.175 4.525 4.350 -0.000 0.000 0.263 17 E C 0.314 177.003 176.600 0.147 0.000 0.995 17 E CA 0.036 56.537 56.400 0.168 0.000 0.915 17 E CB 0.906 30.683 29.700 0.129 0.000 0.951 17 E HN 0.964 nan 8.360 nan 0.000 0.449 18 S N 3.467 119.266 115.700 0.166 0.000 2.579 18 S HA 0.037 4.507 4.470 -0.000 0.000 0.275 18 S C 0.917 175.562 174.600 0.076 0.000 1.345 18 S CA -0.311 57.949 58.200 0.099 0.000 1.031 18 S CB 0.740 63.959 63.200 0.033 0.000 0.892 18 S HN 0.541 nan 8.310 nan 0.000 0.529 19 K N 1.809 122.234 120.400 0.041 0.000 2.486 19 K HA 0.002 4.322 4.320 -0.000 0.000 0.194 19 K C 1.003 177.619 176.600 0.026 0.000 1.033 19 K CA 0.125 56.430 56.287 0.030 0.000 1.004 19 K CB -0.367 32.139 32.500 0.009 0.000 0.798 19 K HN 0.612 nan 8.250 nan 0.000 0.495 20 T N 0.976 115.528 114.554 -0.004 0.000 2.802 20 T HA -0.001 4.349 4.350 -0.000 0.000 0.305 20 T C 0.505 175.217 174.700 0.019 0.000 1.053 20 T CA 0.017 62.095 62.100 -0.038 0.000 1.058 20 T CB 0.686 69.467 68.868 -0.144 0.000 0.988 20 T HN 0.039 nan 8.240 nan 0.000 0.539 21 D N 1.503 121.922 120.400 0.031 0.000 2.469 21 D HA 0.135 4.775 4.640 -0.000 0.000 0.213 21 D C 0.031 176.413 176.300 0.137 0.000 1.135 21 D CA 0.187 54.259 54.000 0.119 0.000 0.834 21 D CB 0.582 41.428 40.800 0.077 0.000 1.009 21 D HN 0.564 nan 8.370 nan 0.000 0.507 22 Q N 0.481 120.283 119.800 0.002 0.000 2.307 22 Q HA 0.416 4.756 4.340 -0.000 0.000 0.262 22 Q C -1.056 174.847 176.000 -0.163 0.000 0.961 22 Q CA -0.385 55.414 55.803 -0.007 0.000 0.882 22 Q CB 1.977 30.689 28.738 -0.042 0.000 1.264 22 Q HN 0.080 nan 8.270 nan 0.000 0.446 23 Y N 0.258 120.557 120.300 -0.002 0.000 2.570 23 Y HA 0.354 4.904 4.550 -0.000 0.000 0.345 23 Y C -0.254 175.637 175.900 -0.014 0.000 1.014 23 Y CA -0.835 57.261 58.100 -0.007 0.000 1.063 23 Y CB 2.281 40.734 38.460 -0.013 0.000 1.272 23 Y HN 0.531 nan 8.280 nan 0.000 0.477 24 E N 1.412 121.686 120.200 0.123 0.000 2.234 24 E HA 0.231 4.581 4.350 -0.000 0.000 0.266 24 E C -1.619 175.011 176.600 0.050 0.000 0.877 24 E CA -0.925 55.509 56.400 0.057 0.000 0.758 24 E CB 1.069 30.778 29.700 0.015 0.000 1.170 24 E HN 0.548 nan 8.360 nan 0.000 0.415 25 D N 1.992 122.410 120.400 0.031 0.000 2.414 25 D HA 0.114 4.753 4.640 -0.000 0.000 0.242 25 D C -0.699 175.603 176.300 0.004 0.000 1.129 25 D CA 0.203 54.213 54.000 0.016 0.000 0.885 25 D CB 1.362 42.169 40.800 0.013 0.000 1.198 25 D HN 0.040 nan 8.370 nan 0.000 0.437 26 V N 3.355 123.267 119.914 -0.003 0.000 2.350 26 V HA 0.269 4.389 4.120 -0.000 0.000 0.285 26 V C 0.297 176.392 176.094 0.000 0.000 1.014 26 V CA -0.753 61.542 62.300 -0.008 0.000 0.831 26 V CB 1.412 33.223 31.823 -0.020 0.000 1.000 26 V HN 0.385 nan 8.190 nan 0.000 0.433 27 V N 2.173 122.094 119.914 0.011 0.000 2.975 27 V HA 0.590 4.710 4.120 -0.000 0.000 0.318 27 V C -0.016 176.095 176.094 0.029 0.000 1.077 27 V CA -0.941 61.377 62.300 0.030 0.000 1.000 27 V CB 1.835 33.703 31.823 0.075 0.000 1.066 27 V HN 0.831 nan 8.190 nan 0.000 0.452 28 N N 2.721 121.431 118.700 0.016 0.000 2.408 28 N HA 0.369 5.109 4.740 -0.000 0.000 0.257 28 N C -1.873 173.635 175.510 -0.003 0.000 1.064 28 N CA -1.560 51.487 53.050 -0.005 0.000 0.952 28 N CB 1.677 40.152 38.487 -0.021 0.000 1.093 28 N HN 0.514 nan 8.380 nan 0.000 0.490 29 P HA -0.158 nan 4.420 nan 0.000 0.218 29 P C 0.404 177.569 177.300 -0.224 0.000 1.146 29 P CA 0.977 64.109 63.100 0.053 0.000 0.813 29 P CB 0.212 31.919 31.700 0.012 0.000 0.778 30 A N -1.247 121.456 122.820 -0.195 0.000 2.178 30 A HA 0.034 4.354 4.320 -0.000 0.000 0.211 30 A C 1.760 179.302 177.584 -0.070 0.000 1.157 30 A CA 1.708 53.630 52.037 -0.192 0.000 0.780 30 A CB -0.974 18.032 19.000 0.009 0.000 0.828 30 A HN 0.334 nan 8.150 nan 0.000 0.476 31 T N -5.718 108.772 114.554 -0.107 0.000 3.130 31 T HA 0.245 4.595 4.350 -0.000 0.000 0.288 31 T C 0.547 175.178 174.700 -0.115 0.000 0.936 31 T CA 0.524 62.581 62.100 -0.072 0.000 0.897 31 T CB -0.200 68.653 68.868 -0.024 0.000 1.178 31 T HN 0.370 nan 8.240 nan 0.000 0.543 32 K N 1.395 121.689 120.400 -0.176 0.000 3.349 32 K HA -0.197 4.122 4.320 -0.000 0.000 0.310 32 K C -0.064 176.517 176.600 -0.032 0.000 1.267 32 K CA 1.400 57.608 56.287 -0.132 0.000 0.920 32 K CB -1.578 30.811 32.500 -0.187 0.000 1.240 32 K HN 0.915 nan 8.250 nan 0.000 0.453 33 E N 0.431 120.615 120.200 -0.026 0.000 2.319 33 E HA 0.404 4.754 4.350 -0.000 0.000 0.268 33 E C -0.190 176.410 176.600 0.001 0.000 1.050 33 E CA -0.987 55.408 56.400 -0.009 0.000 0.878 33 E CB 1.348 31.042 29.700 -0.010 0.000 1.066 33 E HN -0.052 nan 8.360 nan 0.000 0.406 34 V N 4.265 124.179 119.914 0.001 0.000 2.455 34 V HA -0.001 4.119 4.120 -0.000 0.000 0.273 34 V C 1.059 177.149 176.094 -0.007 0.000 1.045 34 V CA -0.084 62.216 62.300 -0.001 0.000 0.976 34 V CB 0.403 32.224 31.823 -0.003 0.000 0.993 34 V HN 0.725 nan 8.190 nan 0.000 0.475 35 L N 4.479 125.697 121.223 -0.008 0.000 2.202 35 L HA 0.192 4.532 4.340 -0.000 0.000 0.205 35 L C 0.964 177.820 176.870 -0.024 0.000 1.083 35 L CA 0.768 55.602 54.840 -0.011 0.000 0.790 35 L CB 0.074 42.128 42.059 -0.008 0.000 0.942 35 L HN 0.903 nan 8.230 nan 0.000 0.452 36 C N -3.319 115.964 119.300 -0.029 0.000 3.209 36 C HA 0.428 4.888 4.460 -0.000 0.000 0.353 36 C C -1.550 173.421 174.990 -0.031 0.000 1.436 36 C CA -1.133 57.859 59.018 -0.042 0.000 1.186 36 C CB 1.425 29.127 27.740 -0.062 0.000 1.550 36 C HN 0.233 nan 8.230 nan 0.000 0.435 37 Q N 0.864 120.648 119.800 -0.026 0.000 2.353 37 Q HA 0.673 5.013 4.340 -0.000 0.000 0.268 37 Q C -0.682 175.368 176.000 0.082 0.000 1.045 37 Q CA -0.643 55.183 55.803 0.040 0.000 0.811 37 Q CB 2.530 31.298 28.738 0.050 0.000 1.305 37 Q HN 0.961 nan 8.270 nan 0.000 0.447 38 V N -0.074 119.875 119.914 0.058 0.000 2.435 38 V HA 0.598 4.718 4.120 -0.000 0.000 0.290 38 V C -2.370 173.717 176.094 -0.011 0.000 1.030 38 V CA -2.559 59.713 62.300 -0.047 0.000 0.881 38 V CB 1.007 32.735 31.823 -0.159 0.000 0.983 38 V HN 0.621 nan 8.190 nan 0.000 0.445 39 P HA 0.276 nan 4.420 nan 0.000 0.275 39 P C -0.633 176.516 177.300 -0.251 0.000 1.228 39 P CA -0.163 62.591 63.100 -0.576 0.000 0.786 39 P CB 1.138 32.583 31.700 -0.425 0.000 0.927 40 I N 1.879 122.274 120.570 -0.292 0.000 2.317 40 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 40 I C 0.812 176.870 176.117 -0.100 0.000 1.119 40 I CA -0.325 60.905 61.300 -0.116 0.000 1.228 40 I CB -1.046 36.894 38.000 -0.100 0.000 1.476 40 I HN 0.206 nan 8.210 nan 0.000 0.514 41 S N 3.548 119.223 115.700 -0.041 0.000 2.566 41 S HA 0.128 4.598 4.470 -0.000 0.000 0.280 41 S C 1.010 175.614 174.600 0.007 0.000 1.343 41 S CA -0.129 58.064 58.200 -0.011 0.000 1.036 41 S CB 0.545 63.771 63.200 0.043 0.000 0.866 41 S HN 0.742 nan 8.310 nan 0.000 0.526 42 T N -0.133 114.428 114.554 0.011 0.000 2.881 42 T HA 0.397 4.747 4.350 -0.000 0.000 0.278 42 T C 0.874 175.599 174.700 0.042 0.000 0.982 42 T CA -0.830 61.283 62.100 0.022 0.000 0.989 42 T CB 0.684 69.561 68.868 0.015 0.000 1.058 42 T HN 0.477 nan 8.240 nan 0.000 0.529 43 K N -0.048 120.380 120.400 0.046 0.000 2.209 43 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 43 K C 2.248 178.889 176.600 0.069 0.000 1.048 43 K CA 1.299 57.623 56.287 0.061 0.000 0.940 43 K CB -0.110 32.425 32.500 0.058 0.000 0.729 43 K HN 0.819 nan 8.250 nan 0.000 0.451 44 E N 1.186 121.419 120.200 0.055 0.000 2.118 44 E HA -0.241 4.108 4.350 -0.000 0.000 0.195 44 E C 1.167 177.818 176.600 0.085 0.000 0.992 44 E CA 1.495 57.929 56.400 0.057 0.000 0.804 44 E CB 0.146 29.863 29.700 0.028 0.000 0.741 44 E HN 0.244 nan 8.360 nan 0.000 0.458 45 D N 0.603 121.050 120.400 0.079 0.000 2.097 45 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 45 D C 1.977 178.336 176.300 0.099 0.000 0.984 45 D CA 0.594 54.659 54.000 0.109 0.000 0.826 45 D CB -0.147 40.701 40.800 0.080 0.000 0.973 45 D HN 0.241 nan 8.370 nan 0.000 0.460 46 I N 1.722 122.329 120.570 0.063 0.000 2.454 46 I HA -0.198 3.972 4.170 -0.000 0.000 0.254 46 I C 1.377 177.499 176.117 0.009 0.000 1.156 46 I CA 1.294 62.608 61.300 0.023 0.000 1.433 46 I CB -0.446 37.577 38.000 0.039 0.000 1.082 46 I HN -0.120 nan 8.210 nan 0.000 0.432 47 D N -0.557 119.900 120.400 0.095 0.000 2.097 47 D HA -0.239 4.401 4.640 -0.000 0.000 0.197 47 D C 2.018 178.380 176.300 0.102 0.000 0.984 47 D CA 1.166 55.257 54.000 0.151 0.000 0.826 47 D CB -0.484 40.431 40.800 0.191 0.000 0.973 47 D HN 0.433 nan 8.370 nan 0.000 0.460 48 Y N 1.351 121.640 120.300 -0.019 0.000 2.181 48 Y HA -0.222 4.327 4.550 -0.000 0.000 0.288 48 Y C 2.245 178.094 175.900 -0.086 0.000 1.146 48 Y CA 1.772 59.848 58.100 -0.041 0.000 1.164 48 Y CB 0.001 38.438 38.460 -0.037 0.000 0.982 48 Y HN -0.049 nan 8.280 nan 0.000 0.515 49 A N 0.780 123.458 122.820 -0.237 0.000 1.902 49 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 49 A C 2.358 179.746 177.584 -0.326 0.000 1.181 49 A CA 1.831 53.649 52.037 -0.365 0.000 0.623 49 A CB -1.449 17.414 19.000 -0.228 0.000 0.818 49 A HN 0.650 nan 8.150 nan 0.000 0.443 50 A N -0.739 121.886 122.820 -0.324 0.000 1.930 50 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 50 A C 2.126 179.538 177.584 -0.287 0.000 1.175 50 A CA 1.612 53.389 52.037 -0.435 0.000 0.627 50 A CB -0.520 17.863 19.000 -1.028 0.000 0.815 50 A HN 0.662 nan 8.150 nan 0.000 0.443 51 Q N -0.509 119.181 119.800 -0.184 0.000 2.020 51 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 51 Q C 2.372 178.310 176.000 -0.104 0.000 0.982 51 Q CA 2.213 57.975 55.803 -0.067 0.000 0.838 51 Q CB -0.576 28.181 28.738 0.031 0.000 0.899 51 Q HN 0.860 nan 8.270 nan 0.000 0.423 52 T N -1.113 113.314 114.554 -0.212 0.000 2.867 52 T HA -0.025 4.325 4.350 -0.000 0.000 0.268 52 T C 1.965 176.561 174.700 -0.174 0.000 1.057 52 T CA 0.988 62.951 62.100 -0.230 0.000 1.136 52 T CB -0.249 68.351 68.868 -0.447 0.000 0.874 52 T HN 0.275 nan 8.240 nan 0.000 0.466 53 A N 1.715 124.421 122.820 -0.189 0.000 1.929 53 A HA 0.464 4.784 4.320 -0.000 0.000 0.216 53 A C 2.788 180.356 177.584 -0.026 0.000 1.176 53 A CA 1.490 53.454 52.037 -0.121 0.000 0.628 53 A CB -1.264 17.643 19.000 -0.154 0.000 0.816 53 A HN 0.708 nan 8.150 nan 0.000 0.444 54 A N -0.383 122.409 122.820 -0.047 0.000 1.930 54 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 54 A C 1.965 179.618 177.584 0.114 0.000 1.175 54 A CA 2.044 54.094 52.037 0.021 0.000 0.627 54 A CB -0.367 18.626 19.000 -0.013 0.000 0.815 54 A HN 0.495 nan 8.150 nan 0.000 0.443 55 E N 0.249 120.479 120.200 0.050 0.000 2.072 55 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 55 E C 2.031 178.672 176.600 0.069 0.000 0.982 55 E CA 1.424 57.855 56.400 0.053 0.000 0.803 55 E CB -0.473 29.232 29.700 0.008 0.000 0.755 55 E HN 0.433 nan 8.360 nan 0.000 0.453 56 A N -0.037 122.813 122.820 0.050 0.000 1.972 56 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 56 A C 2.198 179.874 177.584 0.153 0.000 1.169 56 A CA 1.292 53.363 52.037 0.056 0.000 0.635 56 A CB -1.015 17.976 19.000 -0.015 0.000 0.810 56 A HN 0.486 nan 8.150 nan 0.000 0.446 57 F N 0.861 120.845 119.950 0.058 0.000 2.202 57 F HA -0.207 4.319 4.527 -0.000 0.000 0.301 57 F C 2.052 177.917 175.800 0.108 0.000 1.082 57 F CA 2.082 60.151 58.000 0.117 0.000 1.313 57 F CB -0.075 38.967 39.000 0.071 0.000 1.024 57 F HN 0.137 nan 8.300 nan 0.000 0.495 58 K N -0.508 119.889 120.400 -0.006 0.000 2.211 58 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 58 K C 1.895 178.417 176.600 -0.131 0.000 1.047 58 K CA 1.903 58.130 56.287 -0.101 0.000 0.935 58 K CB -0.333 32.174 32.500 0.013 0.000 0.728 58 K HN 0.497 nan 8.250 nan 0.000 0.452 59 T N -2.671 111.850 114.554 -0.055 0.000 3.046 59 T HA -0.070 4.279 4.350 -0.000 0.000 0.242 59 T C 1.563 176.255 174.700 -0.013 0.000 1.018 59 T CA -0.324 61.758 62.100 -0.030 0.000 1.131 59 T CB -0.539 68.343 68.868 0.024 0.000 0.904 59 T HN 0.409 nan 8.240 nan 0.000 0.459 60 W N 3.261 124.475 121.300 -0.143 0.000 2.342 60 W HA -0.212 4.448 4.660 -0.000 0.000 0.297 60 W C 2.178 178.600 176.519 -0.162 0.000 1.213 60 W CA 1.830 59.104 57.345 -0.119 0.000 1.251 60 W CB -0.266 29.155 29.460 -0.065 0.000 1.136 60 W HN 0.499 nan 8.180 nan 0.000 0.526 61 S N 0.206 115.692 115.700 -0.357 0.000 2.474 61 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 61 S C 1.404 175.785 174.600 -0.366 0.000 0.997 61 S CA 0.893 58.807 58.200 -0.476 0.000 0.949 61 S CB -0.395 62.322 63.200 -0.806 0.000 0.766 61 S HN 0.276 nan 8.310 nan 0.000 0.517 62 K N 0.968 121.186 120.400 -0.303 0.000 2.417 62 K HA 0.255 4.575 4.320 -0.000 0.000 0.196 62 K C -0.626 175.838 176.600 -0.226 0.000 1.023 62 K CA -0.059 56.100 56.287 -0.213 0.000 1.122 62 K CB 0.482 32.893 32.500 -0.148 0.000 0.850 62 K HN 0.241 nan 8.250 nan 0.000 0.521 63 V N 2.368 122.073 119.914 -0.348 0.000 2.385 63 V HA 0.204 4.324 4.120 -0.000 0.000 0.269 63 V C 0.362 176.239 176.094 -0.363 0.000 1.043 63 V CA -0.978 61.106 62.300 -0.360 0.000 0.906 63 V CB 0.742 32.234 31.823 -0.551 0.000 0.995 63 V HN 0.223 nan 8.190 nan 0.000 0.467 64 A N 4.399 127.082 122.820 -0.229 0.000 2.565 64 A HA 0.168 4.488 4.320 -0.000 0.000 0.237 64 A C 1.515 178.981 177.584 -0.196 0.000 1.053 64 A CA 0.613 52.539 52.037 -0.184 0.000 0.755 64 A CB 0.350 19.278 19.000 -0.119 0.000 0.980 64 A HN 1.032 nan 8.150 nan 0.000 0.506 65 V N 3.806 123.621 119.914 -0.164 0.000 2.453 65 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 65 V C -0.549 175.507 176.094 -0.063 0.000 1.068 65 V CA 2.660 64.886 62.300 -0.123 0.000 1.070 65 V CB -0.995 30.779 31.823 -0.083 0.000 0.664 65 V HN 0.861 nan 8.190 nan 0.000 0.461 66 P HA -0.088 nan 4.420 nan 0.000 0.219 66 P C 1.775 179.069 177.300 -0.009 0.000 1.150 66 P CA 1.298 64.386 63.100 -0.019 0.000 0.814 66 P CB -0.102 31.579 31.700 -0.032 0.000 0.787 67 R N -0.437 120.036 120.500 -0.044 0.000 2.073 67 R HA 0.032 4.372 4.340 -0.000 0.000 0.229 67 R C 2.371 178.679 176.300 0.014 0.000 1.120 67 R CA 1.085 57.170 56.100 -0.025 0.000 0.967 67 R CB -0.267 29.995 30.300 -0.064 0.000 0.862 67 R HN 0.182 nan 8.270 nan 0.000 0.436 68 R N 0.197 120.654 120.500 -0.071 0.000 2.096 68 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 68 R C 2.261 178.685 176.300 0.205 0.000 1.127 68 R CA 1.368 57.478 56.100 0.017 0.000 0.968 68 R CB -0.357 29.808 30.300 -0.224 0.000 0.861 68 R HN 0.167 nan 8.270 nan 0.000 0.440 69 A N 1.307 124.221 122.820 0.157 0.000 1.933 69 A HA -0.184 4.135 4.320 -0.000 0.000 0.218 69 A C 2.164 179.986 177.584 0.397 0.000 1.175 69 A CA 1.321 53.509 52.037 0.250 0.000 0.628 69 A CB -0.430 18.701 19.000 0.219 0.000 0.814 69 A HN 0.201 nan 8.150 nan 0.000 0.444 70 R N -0.254 120.407 120.500 0.269 0.000 2.105 70 R HA -0.081 4.259 4.340 -0.000 0.000 0.239 70 R C 1.823 178.322 176.300 0.332 0.000 1.135 70 R CA 1.682 57.926 56.100 0.240 0.000 0.967 70 R CB -0.411 29.941 30.300 0.088 0.000 0.861 70 R HN 0.591 nan 8.270 nan 0.000 0.442 71 I N 0.185 120.946 120.570 0.318 0.000 2.315 71 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 71 I C 1.780 178.150 176.117 0.421 0.000 1.117 71 I CA 0.708 62.218 61.300 0.350 0.000 1.404 71 I CB -0.181 38.033 38.000 0.356 0.000 1.071 71 I HN 0.244 nan 8.210 nan 0.000 0.419 72 L N -0.293 121.171 121.223 0.401 0.000 2.191 72 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 72 L C 2.464 179.453 176.870 0.198 0.000 1.103 72 L CA 1.980 56.999 54.840 0.298 0.000 0.769 72 L CB -1.018 41.140 42.059 0.165 0.000 0.908 72 L HN 0.204 nan 8.230 nan 0.000 0.438 73 F N 0.606 120.653 119.950 0.162 0.000 2.186 73 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 73 F C 2.326 178.201 175.800 0.124 0.000 1.090 73 F CA 1.361 59.430 58.000 0.114 0.000 1.307 73 F CB -0.530 38.524 39.000 0.089 0.000 1.019 73 F HN 0.262 nan 8.300 nan 0.000 0.489 74 N N -0.502 118.410 118.700 0.354 0.000 2.084 74 N HA -0.220 4.520 4.740 -0.000 0.000 0.190 74 N C 1.923 177.594 175.510 0.269 0.000 1.030 74 N CA 1.136 54.352 53.050 0.277 0.000 0.849 74 N CB -0.478 38.175 38.487 0.278 0.000 1.012 74 N HN 0.189 nan 8.380 nan 0.000 0.423 75 F N 2.194 122.208 119.950 0.107 0.000 2.126 75 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 75 F C 2.874 178.639 175.800 -0.058 0.000 1.096 75 F CA 1.131 59.121 58.000 -0.016 0.000 1.255 75 F CB 0.038 38.890 39.000 -0.246 0.000 0.997 75 F HN 0.068 nan 8.300 nan 0.000 0.479 76 Q N 0.398 120.136 119.800 -0.103 0.000 2.084 76 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 76 Q C 2.056 177.978 176.000 -0.130 0.000 0.978 76 Q CA 1.626 57.306 55.803 -0.205 0.000 0.844 76 Q CB -0.346 28.298 28.738 -0.156 0.000 0.898 76 Q HN 0.497 nan 8.270 nan 0.000 0.426 77 Q N -0.106 119.685 119.800 -0.016 0.000 2.016 77 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 77 Q C 2.247 178.256 176.000 0.014 0.000 0.978 77 Q CA 0.740 56.554 55.803 0.019 0.000 0.833 77 Q CB -0.328 28.456 28.738 0.077 0.000 0.895 77 Q HN 0.287 nan 8.270 nan 0.000 0.427 78 L N 0.584 121.839 121.223 0.053 0.000 2.043 78 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 78 L C 2.337 179.283 176.870 0.126 0.000 1.075 78 L CA 1.340 56.264 54.840 0.139 0.000 0.752 78 L CB -1.385 40.786 42.059 0.187 0.000 0.891 78 L HN 0.211 nan 8.230 nan 0.000 0.432 79 L N -1.128 120.030 121.223 -0.109 0.000 2.079 79 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 79 L C 2.580 179.419 176.870 -0.053 0.000 1.081 79 L CA 1.460 56.202 54.840 -0.163 0.000 0.752 79 L CB -1.078 40.726 42.059 -0.426 0.000 0.896 79 L HN 0.210 nan 8.230 nan 0.000 0.433 80 S N -1.223 114.442 115.700 -0.059 0.000 2.387 80 S HA -0.145 4.325 4.470 -0.000 0.000 0.226 80 S C 1.658 176.232 174.600 -0.044 0.000 1.026 80 S CA 0.690 58.865 58.200 -0.042 0.000 0.972 80 S CB -0.117 63.060 63.200 -0.038 0.000 0.814 80 S HN 0.536 nan 8.310 nan 0.000 0.477 81 Q N -0.073 119.684 119.800 -0.073 0.000 2.482 81 Q HA 0.066 4.405 4.340 -0.000 0.000 0.209 81 Q C 0.260 176.024 176.000 -0.392 0.000 0.961 81 Q CA 0.574 56.255 55.803 -0.204 0.000 0.945 81 Q CB 0.129 28.725 28.738 -0.237 0.000 1.012 81 Q HN 0.585 nan 8.270 nan 0.000 0.515 82 H N -1.455 117.608 119.070 -0.012 0.000 2.767 82 H HA 0.197 4.753 4.556 -0.000 0.000 0.260 82 H C 0.779 176.107 175.328 0.000 0.000 1.172 82 H CA -0.165 55.883 56.048 -0.001 0.000 1.048 82 H CB 0.712 30.476 29.762 0.004 0.000 1.697 82 H HN 0.127 nan 8.280 nan 0.000 0.606 83 K N 1.253 121.690 120.400 0.062 0.000 2.052 83 K HA -0.251 4.069 4.320 -0.000 0.000 0.215 83 K C 1.925 178.563 176.600 0.063 0.000 1.053 83 K CA 1.918 58.232 56.287 0.046 0.000 0.934 83 K CB 0.201 32.712 32.500 0.018 0.000 0.717 83 K HN 0.340 nan 8.250 nan 0.000 0.450 84 E N 1.006 121.240 120.200 0.056 0.000 2.058 84 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 84 E C 2.156 178.818 176.600 0.103 0.000 0.997 84 E CA 1.473 57.914 56.400 0.068 0.000 0.801 84 E CB 0.042 29.767 29.700 0.042 0.000 0.746 84 E HN 0.321 nan 8.360 nan 0.000 0.450 85 E N 0.165 120.429 120.200 0.106 0.000 2.077 85 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 85 E C 2.322 179.007 176.600 0.140 0.000 0.989 85 E CA 1.003 57.472 56.400 0.117 0.000 0.800 85 E CB -0.055 29.721 29.700 0.128 0.000 0.746 85 E HN 0.313 nan 8.360 nan 0.000 0.452 86 L N 0.376 121.671 121.223 0.119 0.000 2.017 86 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 86 L C 2.716 179.644 176.870 0.097 0.000 1.073 86 L CA 1.164 56.062 54.840 0.097 0.000 0.745 86 L CB -0.520 41.583 42.059 0.074 0.000 0.894 86 L HN 0.202 nan 8.230 nan 0.000 0.432 87 A N -0.562 122.315 122.820 0.094 0.000 1.902 87 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 87 A C 2.113 179.748 177.584 0.084 0.000 1.181 87 A CA 2.037 54.121 52.037 0.078 0.000 0.623 87 A CB -0.924 18.119 19.000 0.070 0.000 0.818 87 A HN 0.539 nan 8.150 nan 0.000 0.443 88 H N -0.911 118.179 119.070 0.034 0.000 2.289 88 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 88 H C 1.796 177.142 175.328 0.029 0.000 1.091 88 H CA 2.035 58.100 56.048 0.030 0.000 1.274 88 H CB -0.220 29.560 29.762 0.030 0.000 1.364 88 H HN 0.289 nan 8.280 nan 0.000 0.490 89 L N 0.339 121.644 121.223 0.137 0.000 2.042 89 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 89 L C 2.412 179.294 176.870 0.019 0.000 1.076 89 L CA 1.499 56.386 54.840 0.079 0.000 0.749 89 L CB -0.730 41.392 42.059 0.106 0.000 0.893 89 L HN 0.463 nan 8.230 nan 0.000 0.432 90 I N -1.485 119.103 120.570 0.030 0.000 2.163 90 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 90 I C 2.200 178.308 176.117 -0.014 0.000 1.085 90 I CA 1.689 63.003 61.300 0.024 0.000 1.347 90 I CB -0.704 37.318 38.000 0.037 0.000 1.044 90 I HN 0.262 nan 8.210 nan 0.000 0.408 91 T N 1.421 115.943 114.554 -0.053 0.000 2.684 91 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 91 T C 1.979 176.621 174.700 -0.097 0.000 1.036 91 T CA 1.200 63.252 62.100 -0.081 0.000 1.148 91 T CB -0.156 68.641 68.868 -0.117 0.000 0.863 91 T HN 0.117 nan 8.240 nan 0.000 0.436 92 I N 2.274 122.755 120.570 -0.149 0.000 2.127 92 I HA -0.179 3.991 4.170 -0.000 0.000 0.241 92 I C 2.538 178.626 176.117 -0.047 0.000 1.075 92 I CA 1.748 62.977 61.300 -0.118 0.000 1.334 92 I CB -1.266 36.658 38.000 -0.126 0.000 1.040 92 I HN 0.574 nan 8.210 nan 0.000 0.405 93 E N 0.036 120.225 120.200 -0.019 0.000 2.340 93 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 93 E C 1.704 178.319 176.600 0.024 0.000 0.996 93 E CA 0.785 57.189 56.400 0.008 0.000 0.869 93 E CB -0.271 29.446 29.700 0.028 0.000 0.835 93 E HN 0.526 nan 8.360 nan 0.000 0.493 94 N N -0.058 118.658 118.700 0.026 0.000 2.499 94 N HA 0.052 4.792 4.740 -0.000 0.000 0.182 94 N C 1.344 176.866 175.510 0.019 0.000 1.034 94 N CA 1.544 54.630 53.050 0.060 0.000 0.882 94 N CB 0.893 39.410 38.487 0.050 0.000 1.125 94 N HN 0.206 nan 8.380 nan 0.000 0.436 95 G N 0.309 109.099 108.800 -0.017 0.000 2.278 95 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.210 95 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.210 95 G C -0.375 174.506 174.900 -0.032 0.000 1.000 95 G CA 0.178 45.258 45.100 -0.033 0.000 0.635 95 G HN 0.639 nan 8.290 nan 0.000 0.495 96 K N 1.835 122.209 120.400 -0.045 0.000 2.436 96 K HA 0.278 4.598 4.320 -0.000 0.000 0.275 96 K C 0.844 177.414 176.600 -0.050 0.000 0.999 96 K CA 0.150 56.398 56.287 -0.064 0.000 0.980 96 K CB 0.314 32.760 32.500 -0.090 0.000 0.919 96 K HN 0.702 nan 8.250 nan 0.000 0.484 97 N N 0.764 119.429 118.700 -0.058 0.000 2.307 97 N HA -0.145 4.595 4.740 -0.000 0.000 0.230 97 N C 0.883 176.379 175.510 -0.024 0.000 1.297 97 N CA 0.115 53.144 53.050 -0.034 0.000 0.884 97 N CB 0.561 39.026 38.487 -0.037 0.000 1.115 97 N HN 0.826 nan 8.380 nan 0.000 0.436 98 T N -1.469 113.083 114.554 -0.004 0.000 2.929 98 T HA -0.200 4.149 4.350 -0.000 0.000 0.271 98 T C 1.588 176.297 174.700 0.016 0.000 1.085 98 T CA 1.180 63.287 62.100 0.012 0.000 1.125 98 T CB -0.220 68.668 68.868 0.033 0.000 0.874 98 T HN 0.683 nan 8.240 nan 0.000 0.494 99 K N 0.577 120.982 120.400 0.009 0.000 2.001 99 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 99 K C 2.397 179.003 176.600 0.010 0.000 1.048 99 K CA 1.614 57.909 56.287 0.014 0.000 0.932 99 K CB -0.151 32.358 32.500 0.015 0.000 0.715 99 K HN 0.491 nan 8.250 nan 0.000 0.437 100 E N -0.062 120.129 120.200 -0.014 0.000 2.150 100 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 100 E C 1.928 178.542 176.600 0.023 0.000 0.985 100 E CA 0.839 57.235 56.400 -0.007 0.000 0.814 100 E CB -0.042 29.625 29.700 -0.056 0.000 0.752 100 E HN 0.443 nan 8.360 nan 0.000 0.466 101 A N 1.230 124.058 122.820 0.014 0.000 1.873 101 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 101 A C 2.089 179.699 177.584 0.044 0.000 1.186 101 A CA 0.917 52.972 52.037 0.030 0.000 0.616 101 A CB -0.431 18.580 19.000 0.018 0.000 0.823 101 A HN 0.132 nan 8.150 nan 0.000 0.442 102 L N 0.060 121.306 121.223 0.037 0.000 2.127 102 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 102 L C 2.549 179.441 176.870 0.035 0.000 1.089 102 L CA 1.797 56.659 54.840 0.036 0.000 0.757 102 L CB -1.440 40.639 42.059 0.033 0.000 0.899 102 L HN 0.414 nan 8.230 nan 0.000 0.434 103 G N -1.733 107.092 108.800 0.042 0.000 2.403 103 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 103 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 103 G C 1.543 176.476 174.900 0.055 0.000 1.154 103 G CA 0.533 45.661 45.100 0.046 0.000 0.784 103 G HN 0.457 nan 8.290 nan 0.000 0.538 104 E N 0.176 120.426 120.200 0.082 0.000 2.072 104 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 104 E C 2.600 179.222 176.600 0.037 0.000 0.985 104 E CA 1.190 57.649 56.400 0.099 0.000 0.801 104 E CB -0.126 29.690 29.700 0.194 0.000 0.750 104 E HN 0.243 nan 8.360 nan 0.000 0.452 105 V N 0.229 120.163 119.914 0.033 0.000 2.427 105 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 105 V C 2.079 178.163 176.094 -0.017 0.000 1.051 105 V CA 2.364 64.668 62.300 0.007 0.000 1.048 105 V CB -0.638 31.195 31.823 0.018 0.000 0.666 105 V HN 0.378 nan 8.190 nan 0.000 0.456 106 G N 0.016 108.813 108.800 -0.005 0.000 2.418 106 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 106 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 106 G C 1.724 176.608 174.900 -0.027 0.000 1.158 106 G CA 0.846 45.937 45.100 -0.015 0.000 0.771 106 G HN 0.547 nan 8.290 nan 0.000 0.545 107 R N 0.109 120.595 120.500 -0.023 0.000 2.115 107 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 107 R C 2.861 179.140 176.300 -0.035 0.000 1.100 107 R CA 0.828 56.909 56.100 -0.032 0.000 0.980 107 R CB -0.424 29.857 30.300 -0.031 0.000 0.875 107 R HN 0.357 nan 8.270 nan 0.000 0.445 108 G N 1.232 110.000 108.800 -0.052 0.000 2.408 108 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.217 108 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.217 108 G C 1.447 176.285 174.900 -0.104 0.000 1.150 108 G CA 0.315 45.370 45.100 -0.075 0.000 0.776 108 G HN 0.141 nan 8.290 nan 0.000 0.542 109 I N 0.396 120.902 120.570 -0.106 0.000 2.315 109 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 109 I C 2.670 178.731 176.117 -0.093 0.000 1.117 109 I CA 0.958 62.177 61.300 -0.136 0.000 1.404 109 I CB -0.177 37.755 38.000 -0.113 0.000 1.071 109 I HN 0.227 nan 8.210 nan 0.000 0.419 110 E N 0.753 120.919 120.200 -0.056 0.000 2.160 110 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 110 E C 1.836 178.438 176.600 0.003 0.000 0.991 110 E CA 0.892 57.274 56.400 -0.030 0.000 0.810 110 E CB -0.100 29.567 29.700 -0.055 0.000 0.742 110 E HN 0.494 nan 8.360 nan 0.000 0.466 111 N N 0.344 119.041 118.700 -0.004 0.000 2.142 111 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 111 N C 1.986 177.509 175.510 0.022 0.000 1.023 111 N CA 0.971 54.051 53.050 0.049 0.000 0.852 111 N CB -0.102 38.412 38.487 0.045 0.000 0.998 111 N HN 0.032 nan 8.380 nan 0.000 0.424 112 V N 2.018 121.889 119.914 -0.072 0.000 2.343 112 V HA -0.188 3.931 4.120 -0.000 0.000 0.247 112 V C 2.104 178.134 176.094 -0.107 0.000 1.051 112 V CA 1.516 63.752 62.300 -0.106 0.000 1.036 112 V CB -0.525 31.199 31.823 -0.165 0.000 0.654 112 V HN 0.293 nan 8.190 nan 0.000 0.451 113 E N -0.306 119.842 120.200 -0.087 0.000 2.038 113 E HA -0.271 4.078 4.350 -0.000 0.000 0.195 113 E C 2.065 178.667 176.600 0.003 0.000 1.000 113 E CA 1.848 58.189 56.400 -0.099 0.000 0.803 113 E CB -0.332 29.352 29.700 -0.027 0.000 0.750 113 E HN 0.653 nan 8.360 nan 0.000 0.448 114 F N 1.261 121.181 119.950 -0.051 0.000 2.095 114 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 114 F C 2.280 178.072 175.800 -0.013 0.000 1.104 114 F CA 1.214 59.217 58.000 0.005 0.000 1.232 114 F CB -0.003 39.013 39.000 0.027 0.000 0.987 114 F HN -0.004 nan 8.300 nan 0.000 0.475 115 A N 0.194 122.915 122.820 -0.165 0.000 2.015 115 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 115 A C 2.172 179.661 177.584 -0.159 0.000 1.163 115 A CA 1.198 53.096 52.037 -0.232 0.000 0.646 115 A CB -1.252 17.686 19.000 -0.104 0.000 0.806 115 A HN 0.491 nan 8.150 nan 0.000 0.448 116 A N -0.572 122.143 122.820 -0.174 0.000 2.172 116 A HA 0.236 4.556 4.320 -0.000 0.000 0.216 116 A C 1.822 179.397 177.584 -0.014 0.000 1.154 116 A CA 1.231 53.157 52.037 -0.185 0.000 0.701 116 A CB -0.704 17.852 19.000 -0.740 0.000 0.789 116 A HN 0.750 nan 8.150 nan 0.000 0.465 117 G N -1.274 107.485 108.800 -0.069 0.000 3.518 117 G HA2 0.380 4.340 3.960 -0.000 0.000 0.273 117 G HA3 0.380 4.340 3.960 -0.000 0.000 0.273 117 G C 1.109 175.973 174.900 -0.060 0.000 1.199 117 G CA 0.687 45.782 45.100 -0.009 0.000 0.899 117 G HN 0.541 nan 8.290 nan 0.000 0.533 118 A N 1.963 124.750 122.820 -0.055 0.000 1.917 118 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 118 A C 0.631 178.199 177.584 -0.028 0.000 1.182 118 A CA 1.662 53.666 52.037 -0.055 0.000 0.633 118 A CB -0.961 18.032 19.000 -0.011 0.000 0.819 118 A HN 0.371 nan 8.150 nan 0.000 0.448 119 P HA -0.165 nan 4.420 nan 0.000 0.215 119 P C 1.745 179.037 177.300 -0.013 0.000 1.163 119 P CA 2.147 65.243 63.100 -0.007 0.000 0.894 119 P CB -0.161 31.545 31.700 0.010 0.000 0.791 120 S N -1.081 114.614 115.700 -0.009 0.000 2.387 120 S HA -0.038 4.431 4.470 -0.000 0.000 0.226 120 S C 1.854 176.444 174.600 -0.017 0.000 1.026 120 S CA 0.896 59.090 58.200 -0.011 0.000 0.972 120 S CB -1.048 62.151 63.200 -0.002 0.000 0.814 120 S HN 0.093 nan 8.310 nan 0.000 0.477 121 L N 0.837 122.040 121.223 -0.034 0.000 2.191 121 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 121 L C 2.305 179.165 176.870 -0.016 0.000 1.103 121 L CA 1.010 55.828 54.840 -0.037 0.000 0.769 121 L CB -0.449 41.544 42.059 -0.110 0.000 0.908 121 L HN 0.356 nan 8.230 nan 0.000 0.438 122 M N -1.426 118.162 119.600 -0.019 0.000 2.506 122 M HA 0.013 4.493 4.480 -0.000 0.000 0.260 122 M C 0.680 176.968 176.300 -0.020 0.000 1.104 122 M CA 0.328 55.621 55.300 -0.012 0.000 1.112 122 M CB 0.034 32.620 32.600 -0.024 0.000 1.401 122 M HN 0.157 nan 8.290 nan 0.000 0.473 123 M N 1.103 120.688 119.600 -0.025 0.000 2.286 123 M HA -0.004 4.476 4.480 -0.000 0.000 0.365 123 M C 0.836 177.104 176.300 -0.054 0.000 1.443 123 M CA 0.081 55.358 55.300 -0.038 0.000 0.951 123 M CB -0.170 32.411 32.600 -0.033 0.000 1.961 123 M HN 0.148 nan 8.290 nan 0.000 0.468 124 G N 2.518 111.256 108.800 -0.103 0.000 2.583 124 G HA2 0.380 4.340 3.960 -0.000 0.000 0.280 124 G HA3 0.380 4.340 3.960 -0.000 0.000 0.280 124 G C -0.886 173.925 174.900 -0.148 0.000 1.376 124 G CA -0.697 44.323 45.100 -0.133 0.000 1.043 124 G HN 0.638 nan 8.290 nan 0.000 0.538 125 D N -0.019 120.290 120.400 -0.151 0.000 2.163 125 D HA 0.497 5.137 4.640 -0.000 0.000 0.248 125 D C -0.154 176.056 176.300 -0.149 0.000 1.035 125 D CA 0.061 53.991 54.000 -0.117 0.000 0.872 125 D CB 1.695 42.453 40.800 -0.070 0.000 1.183 125 D HN 0.391 nan 8.370 nan 0.000 0.445 126 S N 1.290 116.929 115.700 -0.102 0.000 2.614 126 S HA 0.610 5.080 4.470 -0.000 0.000 0.288 126 S C -1.069 173.509 174.600 -0.037 0.000 1.137 126 S CA -0.889 57.262 58.200 -0.082 0.000 0.992 126 S CB 1.434 64.586 63.200 -0.080 0.000 1.026 126 S HN 0.169 nan 8.310 nan 0.000 0.486 127 L N 2.741 123.952 121.223 -0.020 0.000 2.376 127 L HA 0.744 5.084 4.340 -0.000 0.000 0.275 127 L C 1.006 177.884 176.870 0.012 0.000 0.987 127 L CA -0.438 54.400 54.840 -0.004 0.000 0.828 127 L CB 1.482 43.538 42.059 -0.006 0.000 1.249 127 L HN 0.984 nan 8.230 nan 0.000 0.409 128 A N 2.340 125.171 122.820 0.018 0.000 1.969 128 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 128 A C 0.647 178.252 177.584 0.034 0.000 1.169 128 A CA 0.998 53.054 52.037 0.033 0.000 0.635 128 A CB -0.044 18.974 19.000 0.030 0.000 0.810 128 A HN 0.588 nan 8.150 nan 0.000 0.445 129 S N -1.442 114.270 115.700 0.021 0.000 2.720 129 S HA 0.442 4.912 4.470 -0.000 0.000 0.278 129 S C 0.274 174.879 174.600 0.008 0.000 1.172 129 S CA -0.301 57.910 58.200 0.017 0.000 1.019 129 S CB 1.354 64.565 63.200 0.018 0.000 1.049 129 S HN 0.510 nan 8.310 nan 0.000 0.483 130 I N -0.246 120.326 120.570 0.002 0.000 4.070 130 I HA 0.791 4.961 4.170 -0.000 0.000 0.328 130 I C 0.373 176.487 176.117 -0.004 0.000 1.298 130 I CA -0.241 61.058 61.300 -0.002 0.000 1.173 130 I CB 0.331 38.328 38.000 -0.005 0.000 1.051 130 I HN 0.517 nan 8.210 nan 0.000 0.409 131 A N 0.838 123.656 122.820 -0.004 0.000 2.601 131 A HA 0.543 4.863 4.320 -0.000 0.000 0.291 131 A C -0.206 177.377 177.584 -0.002 0.000 1.075 131 A CA -0.038 51.995 52.037 -0.006 0.000 0.671 131 A CB 0.535 19.527 19.000 -0.013 0.000 1.277 131 A HN 0.211 nan 8.150 nan 0.000 0.417 132 T N -0.089 114.465 114.554 -0.000 0.000 2.853 132 T HA 0.411 4.760 4.350 -0.000 0.000 0.298 132 T C 0.203 174.905 174.700 0.003 0.000 0.978 132 T CA 1.425 63.528 62.100 0.006 0.000 1.152 132 T CB -0.151 68.721 68.868 0.007 0.000 0.914 132 T HN 0.883 nan 8.240 nan 0.000 0.539 133 D N 1.075 121.484 120.400 0.015 0.000 3.006 133 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 133 D C -0.408 175.887 176.300 -0.008 0.000 1.075 133 D CA 0.961 54.973 54.000 0.020 0.000 1.000 133 D CB -1.479 39.327 40.800 0.010 0.000 1.097 133 D HN 0.547 nan 8.370 nan 0.000 0.426 134 V N 1.225 121.129 119.914 -0.017 0.000 2.487 134 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 134 V C 0.361 176.443 176.094 -0.020 0.000 1.028 134 V CA -0.718 61.552 62.300 -0.051 0.000 0.860 134 V CB 2.121 33.911 31.823 -0.055 0.000 0.991 134 V HN 0.103 nan 8.190 nan 0.000 0.427 135 E N 4.053 124.240 120.200 -0.022 0.000 2.281 135 E HA 0.943 5.293 4.350 -0.000 0.000 0.262 135 E C -0.743 175.864 176.600 0.012 0.000 0.933 135 E CA -1.149 55.265 56.400 0.022 0.000 0.809 135 E CB 2.805 32.557 29.700 0.086 0.000 1.242 135 E HN 0.756 nan 8.360 nan 0.000 0.418 136 A N 0.468 123.303 122.820 0.025 0.000 2.574 136 A HA 0.817 5.137 4.320 -0.000 0.000 0.297 136 A C -1.562 176.031 177.584 0.015 0.000 1.062 136 A CA -0.174 51.878 52.037 0.026 0.000 0.686 136 A CB 1.885 20.889 19.000 0.008 0.000 1.285 136 A HN 0.975 nan 8.150 nan 0.000 0.403 137 A N 1.599 124.431 122.820 0.020 0.000 2.605 137 A HA 0.784 5.104 4.320 -0.000 0.000 0.294 137 A C -1.324 176.191 177.584 -0.116 0.000 1.062 137 A CA -0.443 51.536 52.037 -0.096 0.000 0.682 137 A CB 1.251 20.152 19.000 -0.165 0.000 1.278 137 A HN 1.785 nan 8.150 nan 0.000 0.410 138 N N -0.284 118.264 118.700 -0.252 0.000 2.362 138 N HA 0.791 5.530 4.740 -0.000 0.000 0.299 138 N C -1.430 173.860 175.510 -0.366 0.000 1.170 138 N CA -0.390 52.592 53.050 -0.113 0.000 0.825 138 N CB 0.942 39.426 38.487 -0.006 0.000 1.299 138 N HN 0.493 nan 8.380 nan 0.000 0.502 139 Y N -1.064 119.294 120.300 0.097 0.000 2.605 139 Y HA 0.549 5.099 4.550 -0.000 0.000 0.343 139 Y C 0.193 176.123 175.900 0.051 0.000 1.036 139 Y CA -0.954 57.165 58.100 0.031 0.000 1.065 139 Y CB 1.827 40.280 38.460 -0.012 0.000 1.288 139 Y HN 0.256 nan 8.280 nan 0.000 0.481 140 R N 0.786 121.323 120.500 0.062 0.000 2.460 140 R HA 0.607 4.947 4.340 -0.000 0.000 0.303 140 R C -1.802 174.419 176.300 -0.132 0.000 0.968 140 R CA -0.832 55.306 56.100 0.063 0.000 0.889 140 R CB 1.345 31.669 30.300 0.041 0.000 1.123 140 R HN 0.614 nan 8.270 nan 0.000 0.455 141 Y N 1.720 122.084 120.300 0.107 0.000 2.545 141 Y HA 0.395 4.944 4.550 -0.000 0.000 0.348 141 Y C -2.069 173.910 175.900 0.131 0.000 1.002 141 Y CA -2.641 55.521 58.100 0.102 0.000 1.039 141 Y CB 1.807 40.324 38.460 0.094 0.000 1.271 141 Y HN 0.454 nan 8.280 nan 0.000 0.467 142 P HA 0.187 nan 4.420 nan 0.000 0.274 142 P C 0.523 178.006 177.300 0.305 0.000 1.237 142 P CA -0.056 63.237 63.100 0.321 0.000 0.793 142 P CB 1.387 33.343 31.700 0.426 0.000 0.977 143 I N -2.031 118.627 120.570 0.146 0.000 2.852 143 I HA 0.286 4.456 4.170 -0.000 0.000 0.264 143 I C 1.100 177.064 176.117 -0.254 0.000 1.179 143 I CA 0.617 61.919 61.300 0.003 0.000 1.480 143 I CB -0.490 37.483 38.000 -0.045 0.000 1.111 143 I HN 0.529 nan 8.210 nan 0.000 0.441 144 G N 1.174 109.662 108.800 -0.520 0.000 2.174 144 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.070 144 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.070 144 G C -0.881 173.608 174.900 -0.685 0.000 1.120 144 G CA -0.159 44.138 45.100 -1.338 0.000 1.194 144 G HN 0.015 nan 8.290 nan 0.000 0.435 145 V N 1.525 121.164 119.914 -0.459 0.000 2.406 145 V HA 0.567 4.687 4.120 -0.000 0.000 0.272 145 V C 0.423 176.376 176.094 -0.234 0.000 1.043 145 V CA -0.517 61.624 62.300 -0.264 0.000 0.915 145 V CB 1.071 32.756 31.823 -0.230 0.000 0.988 145 V HN 0.648 nan 8.190 nan 0.000 0.466 146 V N 4.182 123.941 119.914 -0.258 0.000 2.427 146 V HA 0.700 4.820 4.120 -0.000 0.000 0.286 146 V C 0.789 176.482 176.094 -0.668 0.000 1.034 146 V CA -0.247 61.842 62.300 -0.352 0.000 0.893 146 V CB 1.690 33.318 31.823 -0.325 0.000 0.982 146 V HN 0.964 nan 8.190 nan 0.000 0.452 147 G N 2.484 111.038 108.800 -0.410 0.000 2.356 147 G HA2 0.660 4.620 3.960 -0.000 0.000 0.322 147 G HA3 0.660 4.620 3.960 -0.000 0.000 0.322 147 G C -0.223 174.529 174.900 -0.246 0.000 1.125 147 G CA -0.401 44.480 45.100 -0.365 0.000 0.885 147 G HN 1.068 nan 8.290 nan 0.000 0.467 148 G N 0.245 108.948 108.800 -0.162 0.000 2.617 148 G HA2 0.586 4.546 3.960 -0.000 0.000 0.306 148 G HA3 0.586 4.546 3.960 -0.000 0.000 0.306 148 G C -0.989 174.052 174.900 0.235 0.000 1.360 148 G CA -0.602 44.626 45.100 0.215 0.000 0.983 148 G HN 0.648 nan 8.290 nan 0.000 0.496 149 I N 1.761 122.463 120.570 0.221 0.000 2.439 149 I HA 0.561 4.731 4.170 -0.000 0.000 0.285 149 I C 0.300 176.426 176.117 0.016 0.000 1.021 149 I CA -0.740 60.660 61.300 0.165 0.000 1.091 149 I CB 2.034 40.207 38.000 0.289 0.000 1.242 149 I HN 0.588 nan 8.210 nan 0.000 0.439 150 A N 8.621 131.461 122.820 0.033 0.000 2.337 150 A HA 0.948 5.268 4.320 -0.000 0.000 0.331 150 A C -2.639 174.917 177.584 -0.047 0.000 1.137 150 A CA -1.599 50.410 52.037 -0.046 0.000 0.807 150 A CB 1.190 20.201 19.000 0.019 0.000 1.250 150 A HN 0.417 nan 8.150 nan 0.000 0.468 151 P HA 0.302 nan 4.420 nan 0.000 0.282 151 P C 0.206 177.503 177.300 -0.006 0.000 1.287 151 P CA -0.358 62.700 63.100 -0.070 0.000 0.792 151 P CB 0.535 32.124 31.700 -0.186 0.000 1.163 152 F N 0.362 120.322 119.950 0.017 0.000 2.569 152 F HA 0.071 4.598 4.527 -0.000 0.000 0.295 152 F C 1.635 177.427 175.800 -0.014 0.000 1.115 152 F CA 0.523 58.535 58.000 0.020 0.000 1.450 152 F CB -1.512 37.505 39.000 0.029 0.000 1.107 152 F HN 0.106 nan 8.300 nan 0.000 0.563 153 N N 0.653 118.690 118.700 -1.105 0.000 2.453 153 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 153 N C -0.321 174.734 175.510 -0.759 0.000 1.041 153 N CA 0.823 53.325 53.050 -0.913 0.000 0.900 153 N CB -0.702 37.309 38.487 -0.794 0.000 0.961 153 N HN 0.452 nan 8.380 nan 0.000 0.443 154 F N 0.632 120.444 119.950 -0.230 0.000 2.872 154 F HA 0.356 4.883 4.527 -0.000 0.000 0.365 154 F C -1.690 174.021 175.800 -0.148 0.000 1.296 154 F CA -1.911 55.972 58.000 -0.194 0.000 1.199 154 F CB 2.012 40.828 39.000 -0.307 0.000 1.687 154 F HN -0.171 nan 8.300 nan 0.000 0.604 155 P HA -0.204 nan 4.420 nan 0.000 0.220 155 P C 1.124 178.480 177.300 0.093 0.000 1.144 155 P CA 1.581 64.736 63.100 0.091 0.000 0.800 155 P CB 0.545 32.302 31.700 0.095 0.000 0.772 156 M N -2.579 117.067 119.600 0.076 0.000 2.817 156 M HA 0.158 4.638 4.480 -0.000 0.000 0.228 156 M C 2.295 178.564 176.300 -0.051 0.000 1.644 156 M CA 0.177 55.511 55.300 0.056 0.000 1.177 156 M CB -0.165 32.471 32.600 0.059 0.000 1.302 156 M HN -0.295 nan 8.290 nan 0.000 0.565 157 M N 0.604 120.128 119.600 -0.128 0.000 2.082 157 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 157 M C 1.692 177.539 176.300 -0.755 0.000 1.071 157 M CA 2.208 57.286 55.300 -0.370 0.000 1.103 157 M CB -0.265 32.018 32.600 -0.527 0.000 1.307 157 M HN 0.257 nan 8.290 nan 0.000 0.409 158 V N 0.868 120.248 119.914 -0.890 0.000 2.255 158 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 158 V C -0.630 175.183 176.094 -0.469 0.000 1.051 158 V CA 2.244 63.859 62.300 -1.142 0.000 1.018 158 V CB -2.192 29.175 31.823 -0.759 0.000 0.641 158 V HN 0.385 nan 8.190 nan 0.000 0.445 159 P HA -0.131 nan 4.420 nan 0.000 0.215 159 P C 1.733 179.019 177.300 -0.024 0.000 1.153 159 P CA 1.597 64.775 63.100 0.130 0.000 0.853 159 P CB -0.208 31.681 31.700 0.315 0.000 0.788 160 C N -2.829 116.358 119.300 -0.189 0.000 2.437 160 C HA -0.057 4.403 4.460 -0.000 0.000 0.283 160 C C 2.178 177.062 174.990 -0.176 0.000 1.424 160 C CA 0.146 58.924 59.018 -0.400 0.000 1.782 160 C CB -2.094 25.509 27.740 -0.230 0.000 1.833 160 C HN 0.340 nan 8.230 nan 0.000 0.532 161 W N 0.469 121.648 121.300 -0.203 0.000 2.436 161 W HA 0.085 4.745 4.660 -0.000 0.000 0.284 161 W C 2.167 178.684 176.519 -0.003 0.000 1.225 161 W CA 0.603 57.879 57.345 -0.115 0.000 1.271 161 W CB -1.009 28.376 29.460 -0.126 0.000 1.114 161 W HN 0.380 nan 8.180 nan 0.000 0.559 162 M N -1.002 118.729 119.600 0.219 0.000 2.329 162 M HA 0.019 4.499 4.480 -0.000 0.000 0.244 162 M C 2.178 178.405 176.300 -0.123 0.000 1.156 162 M CA 1.392 56.875 55.300 0.305 0.000 1.192 162 M CB -1.476 31.443 32.600 0.532 0.000 1.241 162 M HN -0.121 nan 8.290 nan 0.000 0.465 163 F N 0.837 120.347 119.950 -0.733 0.000 2.171 163 F HA 0.043 4.570 4.527 -0.000 0.000 0.300 163 F C -0.987 174.502 175.800 -0.520 0.000 1.090 163 F CA 0.648 57.907 58.000 -1.234 0.000 1.293 163 F CB -2.892 35.161 39.000 -1.579 0.000 1.013 163 F HN 0.034 nan 8.300 nan 0.000 0.486 164 P HA -0.208 nan 4.420 nan 0.000 0.214 164 P C 1.970 179.215 177.300 -0.092 0.000 1.163 164 P CA 1.877 64.744 63.100 -0.388 0.000 0.883 164 P CB -0.137 31.271 31.700 -0.485 0.000 0.788 165 M N 0.012 119.579 119.600 -0.054 0.000 2.067 165 M HA -0.068 4.412 4.480 -0.000 0.000 0.260 165 M C 2.007 178.382 176.300 0.125 0.000 1.069 165 M CA 2.040 57.390 55.300 0.084 0.000 1.117 165 M CB -1.483 31.250 32.600 0.222 0.000 1.334 165 M HN -0.148 nan 8.290 nan 0.000 0.407 166 A N 0.024 122.844 122.820 -0.001 0.000 1.948 166 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 166 A C 2.242 179.898 177.584 0.121 0.000 1.177 166 A CA 2.148 54.098 52.037 -0.145 0.000 0.636 166 A CB -1.210 17.516 19.000 -0.457 0.000 0.815 166 A HN 0.634 nan 8.150 nan 0.000 0.449 167 I N -0.679 119.978 120.570 0.145 0.000 2.286 167 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 167 I C 2.977 179.364 176.117 0.450 0.000 1.104 167 I CA 0.903 62.369 61.300 0.277 0.000 1.397 167 I CB -0.357 37.704 38.000 0.102 0.000 1.072 167 I HN 0.360 nan 8.210 nan 0.000 0.417 168 A N 0.989 123.984 122.820 0.291 0.000 1.908 168 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 168 A C 2.191 179.875 177.584 0.166 0.000 1.181 168 A CA 1.394 53.576 52.037 0.241 0.000 0.627 168 A CB -0.887 18.192 19.000 0.132 0.000 0.818 168 A HN 0.422 nan 8.150 nan 0.000 0.445 169 L N -1.380 119.943 121.223 0.167 0.000 2.551 169 L HA 0.106 4.445 4.340 -0.000 0.000 0.228 169 L C 1.647 178.602 176.870 0.143 0.000 1.153 169 L CA 0.627 55.548 54.840 0.136 0.000 0.851 169 L CB -0.300 41.867 42.059 0.180 0.000 0.959 169 L HN 0.634 nan 8.230 nan 0.000 0.451 170 G N -0.552 108.380 108.800 0.220 0.000 2.154 170 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.186 170 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.186 170 G C -0.126 175.069 174.900 0.493 0.000 1.000 170 G CA -0.199 45.016 45.100 0.191 0.000 0.664 170 G HN 0.446 nan 8.290 nan 0.000 0.513 171 N N 0.376 119.379 118.700 0.504 0.000 2.478 171 N HA 0.692 5.432 4.740 -0.000 0.000 0.275 171 N C 0.348 176.127 175.510 0.448 0.000 1.221 171 N CA 0.209 53.550 53.050 0.484 0.000 0.979 171 N CB 0.945 39.561 38.487 0.215 0.000 1.202 171 N HN 0.344 nan 8.380 nan 0.000 0.564 172 T N -2.448 112.292 114.554 0.310 0.000 2.945 172 T HA 0.620 4.970 4.350 -0.000 0.000 0.286 172 T C -0.957 173.836 174.700 0.156 0.000 1.025 172 T CA -0.645 61.552 62.100 0.162 0.000 1.039 172 T CB 0.697 69.639 68.868 0.123 0.000 1.068 172 T HN 0.307 nan 8.240 nan 0.000 0.497 173 F N 0.498 120.441 119.950 -0.012 0.000 2.563 173 F HA 0.721 5.248 4.527 -0.000 0.000 0.316 173 F C -1.144 174.670 175.800 0.024 0.000 1.076 173 F CA -1.419 56.605 58.000 0.040 0.000 0.921 173 F CB 1.786 40.871 39.000 0.142 0.000 1.209 173 F HN 0.534 nan 8.300 nan 0.000 0.462 174 I N 6.384 126.906 120.570 -0.080 0.000 2.439 174 I HA 0.282 4.452 4.170 -0.000 0.000 0.283 174 I C -1.556 174.595 176.117 0.057 0.000 1.023 174 I CA -0.858 60.425 61.300 -0.029 0.000 1.100 174 I CB 1.766 39.676 38.000 -0.150 0.000 1.238 174 I HN 0.301 nan 8.210 nan 0.000 0.445 175 L N 7.769 129.148 121.223 0.259 0.000 2.296 175 L HA 0.455 4.795 4.340 -0.000 0.000 0.286 175 L C -0.370 176.541 176.870 0.068 0.000 1.023 175 L CA -0.070 54.962 54.840 0.320 0.000 0.812 175 L CB 1.123 43.437 42.059 0.426 0.000 1.223 175 L HN 0.437 nan 8.230 nan 0.000 0.421 176 K N 7.836 128.298 120.400 0.103 0.000 2.478 176 K HA 0.451 4.770 4.320 -0.000 0.000 0.236 176 K C -2.630 174.034 176.600 0.106 0.000 1.021 176 K CA -1.826 54.497 56.287 0.060 0.000 1.010 176 K CB 1.079 33.636 32.500 0.095 0.000 1.331 176 K HN 0.466 nan 8.250 nan 0.000 0.470 177 P HA -0.022 nan 4.420 nan 0.000 0.274 177 P C -0.197 177.215 177.300 0.187 0.000 1.260 177 P CA -0.358 62.831 63.100 0.149 0.000 0.793 177 P CB 0.720 32.525 31.700 0.175 0.000 1.048 178 S N 0.089 115.897 115.700 0.180 0.000 2.562 178 S HA -0.010 4.460 4.470 -0.000 0.000 0.281 178 S C 1.564 176.283 174.600 0.199 0.000 1.333 178 S CA -0.407 57.906 58.200 0.188 0.000 1.052 178 S CB -0.136 63.189 63.200 0.209 0.000 0.884 178 S HN 0.474 nan 8.310 nan 0.000 0.506 179 E N 5.316 125.618 120.200 0.170 0.000 2.265 179 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 179 E C 1.495 178.144 176.600 0.082 0.000 0.996 179 E CA 1.002 57.480 56.400 0.131 0.000 0.832 179 E CB -0.199 29.559 29.700 0.097 0.000 0.756 179 E HN 0.750 nan 8.360 nan 0.000 0.491 180 R N 0.674 121.225 120.500 0.085 0.000 2.161 180 R HA 0.033 4.373 4.340 -0.000 0.000 0.213 180 R C 0.754 177.093 176.300 0.065 0.000 1.055 180 R CA 1.400 57.522 56.100 0.037 0.000 0.996 180 R CB 0.231 30.511 30.300 -0.032 0.000 0.901 180 R HN 0.256 nan 8.270 nan 0.000 0.456 181 T N -1.834 112.794 114.554 0.123 0.000 3.410 181 T HA 0.271 4.621 4.350 -0.000 0.000 0.328 181 T C -2.189 172.600 174.700 0.148 0.000 1.567 181 T CA -1.530 60.643 62.100 0.123 0.000 1.626 181 T CB 1.593 70.552 68.868 0.152 0.000 0.939 181 T HN -0.083 nan 8.240 nan 0.000 0.656 182 P HA 0.087 nan 4.420 nan 0.000 0.222 182 P C 1.587 178.991 177.300 0.174 0.000 1.157 182 P CA -0.024 63.192 63.100 0.193 0.000 0.816 182 P CB 0.241 31.892 31.700 -0.081 0.000 0.813 183 L N 0.127 121.395 121.223 0.075 0.000 1.989 183 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 183 L C 2.678 179.614 176.870 0.110 0.000 1.071 183 L CA 1.473 56.351 54.840 0.063 0.000 0.749 183 L CB -2.146 39.933 42.059 0.033 0.000 0.890 183 L HN 0.021 nan 8.230 nan 0.000 0.431 184 L N -0.070 121.225 121.223 0.119 0.000 1.997 184 L HA -0.291 4.049 4.340 -0.000 0.000 0.216 184 L C 2.431 179.400 176.870 0.165 0.000 1.074 184 L CA 2.303 57.219 54.840 0.128 0.000 0.763 184 L CB -1.121 41.011 42.059 0.122 0.000 0.890 184 L HN 0.315 nan 8.230 nan 0.000 0.434 185 T N -0.467 114.209 114.554 0.203 0.000 2.778 185 T HA -0.252 4.098 4.350 -0.000 0.000 0.269 185 T C 1.742 176.575 174.700 0.221 0.000 1.050 185 T CA 1.636 63.864 62.100 0.214 0.000 1.137 185 T CB -0.116 68.873 68.868 0.202 0.000 0.860 185 T HN 0.449 nan 8.240 nan 0.000 0.468 186 E N 0.549 120.907 120.200 0.264 0.000 2.085 186 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 186 E C 2.261 178.978 176.600 0.195 0.000 0.994 186 E CA 0.958 57.519 56.400 0.268 0.000 0.801 186 E CB 0.051 29.800 29.700 0.081 0.000 0.743 186 E HN 0.107 nan 8.360 nan 0.000 0.453 187 K N 0.528 121.007 120.400 0.131 0.000 2.057 187 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 187 K C 2.253 178.951 176.600 0.164 0.000 1.049 187 K CA 0.870 57.217 56.287 0.099 0.000 0.931 187 K CB -0.400 32.137 32.500 0.062 0.000 0.714 187 K HN 0.270 nan 8.250 nan 0.000 0.440 188 L N 0.252 121.613 121.223 0.230 0.000 2.012 188 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 188 L C 2.454 179.564 176.870 0.399 0.000 1.073 188 L CA 0.981 56.045 54.840 0.375 0.000 0.748 188 L CB -0.773 41.542 42.059 0.427 0.000 0.891 188 L HN -0.110 nan 8.230 nan 0.000 0.431 189 V N 0.142 120.199 119.914 0.238 0.000 2.252 189 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 189 V C 2.445 178.543 176.094 0.007 0.000 1.056 189 V CA 2.127 64.402 62.300 -0.042 0.000 1.022 189 V CB -0.575 30.935 31.823 -0.522 0.000 0.641 189 V HN 0.477 nan 8.190 nan 0.000 0.445 190 E N -0.122 120.167 120.200 0.148 0.000 2.085 190 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 190 E C 2.216 178.923 176.600 0.179 0.000 0.994 190 E CA 1.352 57.852 56.400 0.168 0.000 0.801 190 E CB -0.230 29.569 29.700 0.165 0.000 0.743 190 E HN 0.512 nan 8.360 nan 0.000 0.453 191 L N -0.049 121.314 121.223 0.232 0.000 2.093 191 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 191 L C 2.352 179.528 176.870 0.511 0.000 1.085 191 L CA 0.881 55.904 54.840 0.305 0.000 0.755 191 L CB -0.294 41.918 42.059 0.256 0.000 0.904 191 L HN 0.180 nan 8.230 nan 0.000 0.435 192 F N 0.566 120.690 119.950 0.291 0.000 2.325 192 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 192 F C 2.576 178.357 175.800 -0.033 0.000 1.090 192 F CA 0.691 58.625 58.000 -0.110 0.000 1.392 192 F CB 0.324 38.994 39.000 -0.551 0.000 1.053 192 F HN 0.165 nan 8.300 nan 0.000 0.521 193 E N 0.640 120.954 120.200 0.191 0.000 2.072 193 E HA -0.204 4.146 4.350 -0.000 0.000 0.190 193 E C 1.994 178.676 176.600 0.137 0.000 0.982 193 E CA 0.883 57.337 56.400 0.089 0.000 0.803 193 E CB 0.060 29.802 29.700 0.070 0.000 0.755 193 E HN 0.325 nan 8.360 nan 0.000 0.453 194 K N -0.027 120.483 120.400 0.184 0.000 2.211 194 K HA -0.067 4.252 4.320 -0.000 0.000 0.203 194 K C 1.968 178.691 176.600 0.205 0.000 1.050 194 K CA 0.795 57.189 56.287 0.178 0.000 0.945 194 K CB -0.012 32.596 32.500 0.180 0.000 0.732 194 K HN 0.098 nan 8.250 nan 0.000 0.451 195 A N 0.388 123.378 122.820 0.283 0.000 2.121 195 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 195 A C 1.449 179.173 177.584 0.232 0.000 1.154 195 A CA 1.397 53.625 52.037 0.317 0.000 0.679 195 A CB -0.296 19.008 19.000 0.506 0.000 0.795 195 A HN 0.443 nan 8.150 nan 0.000 0.458 196 G N -2.310 106.586 108.800 0.161 0.000 2.143 196 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.175 196 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.175 196 G C -0.067 174.846 174.900 0.022 0.000 1.004 196 G CA -0.021 45.139 45.100 0.101 0.000 0.671 196 G HN 0.662 nan 8.290 nan 0.000 0.512 197 L N 3.246 124.403 121.223 -0.110 0.000 2.477 197 L HA 0.471 4.811 4.340 -0.000 0.000 0.272 197 L C -0.658 176.053 176.870 -0.265 0.000 1.157 197 L CA -1.413 53.206 54.840 -0.369 0.000 0.889 197 L CB 0.115 41.648 42.059 -0.876 0.000 1.158 197 L HN 0.127 nan 8.230 nan 0.000 0.473 198 P HA 0.055 nan 4.420 nan 0.000 0.271 198 P C -1.222 175.958 177.300 -0.199 0.000 1.244 198 P CA -0.519 62.503 63.100 -0.131 0.000 0.793 198 P CB 0.262 31.955 31.700 -0.012 0.000 0.984 199 K N -0.490 119.827 120.400 -0.137 0.000 2.319 199 K HA 0.288 4.608 4.320 -0.000 0.000 0.265 199 K C 0.998 177.476 176.600 -0.204 0.000 1.000 199 K CA 0.124 56.304 56.287 -0.178 0.000 0.943 199 K CB -0.640 31.765 32.500 -0.158 0.000 0.950 199 K HN 0.726 nan 8.250 nan 0.000 0.485 200 G N 0.696 109.342 108.800 -0.256 0.000 2.212 200 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.266 200 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.266 200 G C 0.697 175.475 174.900 -0.203 0.000 0.978 200 G CA 0.362 45.320 45.100 -0.237 0.000 0.632 200 G HN 0.426 nan 8.290 nan 0.000 0.537 201 V N -0.544 119.204 119.914 -0.277 0.000 2.407 201 V HA 0.329 4.448 4.120 -0.000 0.000 0.245 201 V C 1.049 177.040 176.094 -0.172 0.000 1.041 201 V CA 1.749 63.821 62.300 -0.380 0.000 1.040 201 V CB -0.172 31.102 31.823 -0.915 0.000 0.671 201 V HN 0.436 nan 8.190 nan 0.000 0.455 202 F N 2.675 122.412 119.950 -0.355 0.000 2.382 202 F HA 0.527 5.054 4.527 -0.000 0.000 0.361 202 F C -0.337 175.386 175.800 -0.128 0.000 1.109 202 F CA -1.838 56.005 58.000 -0.261 0.000 1.031 202 F CB 0.220 38.962 39.000 -0.430 0.000 1.234 202 F HN 0.082 nan 8.300 nan 0.000 0.445 203 N N 4.753 123.369 118.700 -0.140 0.000 2.314 203 N HA 0.555 5.294 4.740 -0.000 0.000 0.304 203 N C -1.487 173.806 175.510 -0.362 0.000 1.073 203 N CA -0.509 52.370 53.050 -0.285 0.000 0.822 203 N CB 2.965 41.312 38.487 -0.234 0.000 1.280 203 N HN 0.241 nan 8.380 nan 0.000 0.489 204 V N 1.855 121.525 119.914 -0.407 0.000 2.483 204 V HA 0.359 4.479 4.120 -0.000 0.000 0.297 204 V C -0.364 175.537 176.094 -0.322 0.000 1.027 204 V CA -0.707 61.340 62.300 -0.421 0.000 0.855 204 V CB 2.006 33.474 31.823 -0.591 0.000 0.995 204 V HN 0.351 nan 8.190 nan 0.000 0.424 205 V N 5.839 125.598 119.914 -0.258 0.000 2.349 205 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 205 V C -0.621 175.411 176.094 -0.103 0.000 1.014 205 V CA -0.808 61.413 62.300 -0.131 0.000 0.826 205 V CB 1.018 32.809 31.823 -0.053 0.000 1.009 205 V HN 0.732 nan 8.190 nan 0.000 0.431 206 Y N 3.014 123.349 120.300 0.058 0.000 2.379 206 Y HA 0.625 5.175 4.550 -0.000 0.000 0.337 206 Y C 1.217 177.139 175.900 0.036 0.000 1.238 206 Y CA 1.504 59.639 58.100 0.059 0.000 1.405 206 Y CB 1.304 39.804 38.460 0.066 0.000 1.310 206 Y HN 0.840 nan 8.280 nan 0.000 0.569 207 G N -0.601 108.332 108.800 0.223 0.000 2.368 207 G HA2 0.457 4.417 3.960 -0.000 0.000 0.269 207 G HA3 0.457 4.417 3.960 -0.000 0.000 0.269 207 G C -1.113 173.866 174.900 0.132 0.000 1.291 207 G CA -0.136 45.040 45.100 0.127 0.000 0.903 207 G HN 0.878 nan 8.290 nan 0.000 0.483 208 A N -1.876 121.017 122.820 0.122 0.000 2.905 208 A HA 0.707 5.027 4.320 -0.000 0.000 0.193 208 A C 1.218 178.970 177.584 0.280 0.000 1.268 208 A CA 0.979 53.127 52.037 0.185 0.000 1.416 208 A CB -0.789 18.259 19.000 0.079 0.000 1.753 208 A HN 0.794 nan 8.150 nan 0.000 0.583 209 H N -0.023 119.083 119.070 0.060 0.000 2.299 209 H HA -0.120 4.436 4.556 -0.000 0.000 0.302 209 H C 1.303 176.670 175.328 0.065 0.000 1.078 209 H CA 1.180 57.264 56.048 0.061 0.000 1.323 209 H CB 0.012 29.791 29.762 0.030 0.000 1.381 209 H HN 0.495 nan 8.280 nan 0.000 0.498 210 D N 0.576 121.083 120.400 0.179 0.000 2.149 210 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 210 D C 2.278 178.641 176.300 0.105 0.000 1.001 210 D CA 0.824 54.892 54.000 0.113 0.000 0.849 210 D CB -0.368 40.474 40.800 0.070 0.000 0.939 210 D HN 0.133 nan 8.370 nan 0.000 0.449 211 V N 0.158 120.137 119.914 0.108 0.000 2.453 211 V HA -0.153 3.966 4.120 -0.000 0.000 0.247 211 V C 2.521 178.677 176.094 0.103 0.000 1.048 211 V CA 0.817 63.173 62.300 0.094 0.000 1.049 211 V CB -0.164 31.712 31.823 0.089 0.000 0.672 211 V HN 0.070 nan 8.190 nan 0.000 0.457 212 V N 0.626 120.620 119.914 0.134 0.000 2.358 212 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 212 V C 2.245 178.408 176.094 0.115 0.000 1.047 212 V CA 1.882 64.266 62.300 0.139 0.000 1.035 212 V CB -0.731 31.195 31.823 0.171 0.000 0.658 212 V HN 0.575 nan 8.190 nan 0.000 0.452 213 N N 0.844 119.615 118.700 0.119 0.000 2.309 213 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 213 N C 1.881 177.436 175.510 0.074 0.000 1.018 213 N CA 1.418 54.528 53.050 0.099 0.000 0.876 213 N CB -0.415 38.140 38.487 0.113 0.000 0.972 213 N HN 0.531 nan 8.380 nan 0.000 0.434 214 G N 1.397 110.247 108.800 0.083 0.000 2.418 214 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 214 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 214 G C 1.630 176.584 174.900 0.089 0.000 1.158 214 G CA 0.246 45.398 45.100 0.087 0.000 0.771 214 G HN 0.248 nan 8.290 nan 0.000 0.545 215 I N 0.269 120.877 120.570 0.063 0.000 2.315 215 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 215 I C 2.536 178.673 176.117 0.033 0.000 1.117 215 I CA 0.585 61.907 61.300 0.037 0.000 1.404 215 I CB -0.095 37.924 38.000 0.031 0.000 1.071 215 I HN 0.125 nan 8.210 nan 0.000 0.419 216 L N 0.035 121.274 121.223 0.027 0.000 2.217 216 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 216 L C 2.144 179.002 176.870 -0.021 0.000 1.107 216 L CA 1.202 56.032 54.840 -0.017 0.000 0.783 216 L CB -0.314 41.710 42.059 -0.058 0.000 0.919 216 L HN 0.227 nan 8.230 nan 0.000 0.442 217 E N -2.153 118.052 120.200 0.010 0.000 2.251 217 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 217 E C 0.619 177.220 176.600 0.001 0.000 0.964 217 E CA -0.158 56.238 56.400 -0.007 0.000 0.868 217 E CB 0.233 29.929 29.700 -0.007 0.000 0.828 217 E HN 0.262 nan 8.360 nan 0.000 0.481 218 H N 3.000 122.051 119.070 -0.032 0.000 3.046 218 H HA -0.013 4.543 4.556 -0.000 0.000 0.303 218 H C -1.525 173.774 175.328 -0.049 0.000 1.002 218 H CA -1.261 54.766 56.048 -0.035 0.000 1.460 218 H CB 1.077 30.819 29.762 -0.034 0.000 1.493 218 H HN 0.026 nan 8.280 nan 0.000 0.559 219 P HA -0.125 nan 4.420 nan 0.000 0.225 219 P C 0.819 178.170 177.300 0.086 0.000 1.148 219 P CA 0.858 63.969 63.100 0.020 0.000 0.779 219 P CB 0.560 32.225 31.700 -0.059 0.000 0.780 220 E N -0.094 120.267 120.200 0.267 0.000 2.358 220 E HA 0.071 4.421 4.350 -0.000 0.000 0.195 220 E C 1.060 177.629 176.600 -0.051 0.000 1.010 220 E CA 0.211 56.659 56.400 0.080 0.000 0.856 220 E CB -0.084 29.648 29.700 0.054 0.000 0.795 220 E HN 0.438 nan 8.360 nan 0.000 0.504 221 I N 2.148 122.701 120.570 -0.028 0.000 2.269 221 I HA 0.045 4.215 4.170 -0.000 0.000 0.293 221 I C 1.088 177.157 176.117 -0.080 0.000 1.106 221 I CA -0.233 61.011 61.300 -0.094 0.000 1.248 221 I CB 0.747 38.697 38.000 -0.084 0.000 1.444 221 I HN -0.313 nan 8.210 nan 0.000 0.497 222 K N 4.220 124.550 120.400 -0.116 0.000 2.103 222 K HA 0.113 4.433 4.320 -0.000 0.000 0.204 222 K C 0.601 177.145 176.600 -0.094 0.000 1.052 222 K CA 0.621 56.844 56.287 -0.107 0.000 0.945 222 K CB 0.137 32.554 32.500 -0.139 0.000 0.722 222 K HN 0.686 nan 8.250 nan 0.000 0.443 223 A N 0.135 122.905 122.820 -0.082 0.000 2.435 223 A HA 0.716 5.036 4.320 -0.000 0.000 0.304 223 A C -1.131 176.518 177.584 0.109 0.000 1.064 223 A CA -0.692 51.328 52.037 -0.028 0.000 0.727 223 A CB 1.190 20.095 19.000 -0.159 0.000 1.284 223 A HN 0.085 nan 8.150 nan 0.000 0.415 224 I N 1.221 121.956 120.570 0.276 0.000 2.466 224 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 224 I C -0.356 176.042 176.117 0.469 0.000 1.026 224 I CA -0.347 61.128 61.300 0.291 0.000 1.078 224 I CB 2.358 40.463 38.000 0.175 0.000 1.249 224 I HN 0.500 nan 8.210 nan 0.000 0.429 225 S N 6.283 122.245 115.700 0.437 0.000 2.498 225 S HA 0.478 4.948 4.470 -0.000 0.000 0.324 225 S C -0.785 174.038 174.600 0.371 0.000 1.071 225 S CA -0.411 58.035 58.200 0.410 0.000 1.113 225 S CB 0.662 64.178 63.200 0.526 0.000 0.976 225 S HN 0.418 nan 8.310 nan 0.000 0.462 226 F N 4.207 124.292 119.950 0.225 0.000 2.458 226 F HA 0.708 5.235 4.527 -0.000 0.000 0.336 226 F C -0.931 174.997 175.800 0.214 0.000 1.114 226 F CA -0.673 57.452 58.000 0.207 0.000 0.987 226 F CB 1.034 40.149 39.000 0.192 0.000 1.130 226 F HN 0.253 nan 8.300 nan 0.000 0.458 227 V N 6.230 125.675 119.914 -0.782 0.000 2.419 227 V HA 0.848 4.968 4.120 -0.000 0.000 0.287 227 V C -0.069 175.515 176.094 -0.850 0.000 1.017 227 V CA 0.066 62.072 62.300 -0.491 0.000 0.844 227 V CB 0.553 32.265 31.823 -0.185 0.000 1.011 227 V HN 1.154 nan 8.190 nan 0.000 0.429 228 G N 2.991 111.483 108.800 -0.515 0.000 2.450 228 G HA2 0.502 4.462 3.960 -0.000 0.000 0.273 228 G HA3 0.502 4.462 3.960 -0.000 0.000 0.273 228 G C -0.380 174.649 174.900 0.215 0.000 1.221 228 G CA 0.115 45.122 45.100 -0.156 0.000 0.900 228 G HN 0.859 nan 8.290 nan 0.000 0.483 229 S N -0.166 115.684 115.700 0.250 0.000 2.584 229 S HA 0.226 4.696 4.470 -0.000 0.000 0.270 229 S C 1.435 176.216 174.600 0.302 0.000 1.346 229 S CA 0.760 59.064 58.200 0.172 0.000 1.018 229 S CB 1.679 64.945 63.200 0.110 0.000 0.899 229 S HN 0.951 nan 8.310 nan 0.000 0.542 230 K N 2.056 122.624 120.400 0.279 0.000 2.032 230 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 230 K C -0.714 176.047 176.600 0.267 0.000 1.048 230 K CA 1.548 58.055 56.287 0.366 0.000 0.927 230 K CB -1.247 31.516 32.500 0.440 0.000 0.712 230 K HN 0.613 nan 8.250 nan 0.000 0.441 231 P HA -0.160 nan 4.420 nan 0.000 0.214 231 P C 1.597 178.925 177.300 0.047 0.000 1.163 231 P CA 1.390 64.546 63.100 0.093 0.000 0.883 231 P CB -0.111 31.633 31.700 0.074 0.000 0.788 232 V N 0.528 120.473 119.914 0.052 0.000 2.343 232 V HA -0.144 3.975 4.120 -0.000 0.000 0.247 232 V C 2.957 178.847 176.094 -0.340 0.000 1.051 232 V CA 2.441 64.710 62.300 -0.051 0.000 1.036 232 V CB -2.018 29.861 31.823 0.095 0.000 0.654 232 V HN 0.201 nan 8.190 nan 0.000 0.451 233 G N -0.666 107.933 108.800 -0.335 0.000 2.422 233 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.218 233 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.218 233 G C 1.522 176.349 174.900 -0.120 0.000 1.140 233 G CA 0.857 45.670 45.100 -0.478 0.000 0.775 233 G HN 0.590 nan 8.290 nan 0.000 0.545 234 E N -0.627 119.535 120.200 -0.063 0.000 2.072 234 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 234 E C 1.992 178.464 176.600 -0.213 0.000 0.985 234 E CA 0.848 57.026 56.400 -0.369 0.000 0.801 234 E CB -0.337 29.172 29.700 -0.318 0.000 0.750 234 E HN 0.564 nan 8.360 nan 0.000 0.452 235 Y N 0.478 120.637 120.300 -0.235 0.000 2.145 235 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 235 Y C 2.047 177.827 175.900 -0.200 0.000 1.145 235 Y CA 1.644 59.624 58.100 -0.199 0.000 1.148 235 Y CB -0.305 38.045 38.460 -0.183 0.000 0.981 235 Y HN -0.096 nan 8.280 nan 0.000 0.507 236 V N 0.072 119.776 119.914 -0.350 0.000 2.332 236 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 236 V C 2.073 177.995 176.094 -0.287 0.000 1.055 236 V CA 2.285 64.345 62.300 -0.400 0.000 1.038 236 V CB -1.110 30.474 31.823 -0.398 0.000 0.651 236 V HN 0.615 nan 8.190 nan 0.000 0.450 237 Y N 1.060 121.189 120.300 -0.284 0.000 2.145 237 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 237 Y C 2.544 178.301 175.900 -0.238 0.000 1.145 237 Y CA 1.966 59.944 58.100 -0.205 0.000 1.148 237 Y CB -0.150 38.175 38.460 -0.226 0.000 0.981 237 Y HN 0.162 nan 8.280 nan 0.000 0.507 238 K N 0.043 120.338 120.400 -0.175 0.000 2.002 238 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 238 K C 2.231 178.651 176.600 -0.300 0.000 1.048 238 K CA 1.760 57.922 56.287 -0.209 0.000 0.930 238 K CB -0.238 32.161 32.500 -0.167 0.000 0.714 238 K HN 0.196 nan 8.250 nan 0.000 0.438 239 K N 0.585 120.725 120.400 -0.434 0.000 2.057 239 K HA -0.131 4.188 4.320 -0.000 0.000 0.207 239 K C 2.230 178.647 176.600 -0.305 0.000 1.049 239 K CA 1.557 57.595 56.287 -0.416 0.000 0.931 239 K CB -0.296 31.805 32.500 -0.665 0.000 0.714 239 K HN 0.247 nan 8.250 nan 0.000 0.440 240 G N 0.076 108.685 108.800 -0.318 0.000 2.446 240 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 240 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 240 G C 1.497 176.244 174.900 -0.255 0.000 1.168 240 G CA 1.105 46.058 45.100 -0.245 0.000 0.771 240 G HN 0.324 nan 8.290 nan 0.000 0.551 241 S N 0.395 115.881 115.700 -0.357 0.000 2.368 241 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 241 S C 2.157 176.642 174.600 -0.192 0.000 1.030 241 S CA 1.526 59.538 58.200 -0.313 0.000 0.999 241 S CB -0.191 62.768 63.200 -0.402 0.000 0.844 241 S HN 0.507 nan 8.310 nan 0.000 0.459 242 E N 2.034 122.125 120.200 -0.181 0.000 2.153 242 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 242 E C 1.311 177.845 176.600 -0.111 0.000 0.988 242 E CA 0.863 57.186 56.400 -0.129 0.000 0.811 242 E CB -0.142 29.484 29.700 -0.125 0.000 0.746 242 E HN 0.299 nan 8.360 nan 0.000 0.466 243 N N 0.211 118.837 118.700 -0.124 0.000 2.449 243 N HA -0.040 4.700 4.740 -0.000 0.000 0.191 243 N C -0.258 175.199 175.510 -0.088 0.000 1.161 243 N CA 0.270 53.261 53.050 -0.098 0.000 0.863 243 N CB 0.341 38.770 38.487 -0.096 0.000 0.980 243 N HN 0.085 nan 8.380 nan 0.000 0.458 244 L N -0.388 120.777 121.223 -0.098 0.000 3.865 244 L HA -0.272 4.068 4.340 -0.000 0.000 0.408 244 L C 0.267 177.088 176.870 -0.080 0.000 1.209 244 L CA 1.199 55.989 54.840 -0.083 0.000 0.940 244 L CB -1.925 40.096 42.059 -0.063 0.000 1.971 244 L HN 0.366 nan 8.230 nan 0.000 0.899 245 K N -0.472 119.870 120.400 -0.096 0.000 2.328 245 K HA 0.756 5.076 4.320 -0.000 0.000 0.246 245 K C 0.263 176.816 176.600 -0.080 0.000 0.955 245 K CA -1.216 55.024 56.287 -0.080 0.000 0.817 245 K CB 1.838 34.297 32.500 -0.068 0.000 1.208 245 K HN 0.225 nan 8.250 nan 0.000 0.432 246 R N 0.561 121.031 120.500 -0.050 0.000 2.594 246 R HA 0.392 4.732 4.340 -0.000 0.000 0.272 246 R C -0.515 175.873 176.300 0.146 0.000 1.074 246 R CA -0.784 55.329 56.100 0.021 0.000 1.105 246 R CB 0.992 31.276 30.300 -0.027 0.000 1.008 246 R HN 0.460 nan 8.270 nan 0.000 0.472 247 V N 1.961 122.027 119.914 0.253 0.000 3.120 247 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 247 V C -1.838 174.482 176.094 0.376 0.000 1.238 247 V CA -0.732 61.764 62.300 0.327 0.000 1.008 247 V CB 2.395 34.233 31.823 0.024 0.000 1.064 247 V HN 1.074 nan 8.190 nan 0.000 0.434 248 Q N 3.130 123.081 119.800 0.252 0.000 2.292 248 Q HA 0.712 5.052 4.340 -0.000 0.000 0.270 248 Q C -1.447 174.722 176.000 0.281 0.000 1.024 248 Q CA -0.599 55.279 55.803 0.126 0.000 0.768 248 Q CB 2.102 30.654 28.738 -0.310 0.000 1.250 248 Q HN 0.572 nan 8.270 nan 0.000 0.447 249 S N 3.489 119.369 115.700 0.302 0.000 2.566 249 S HA 0.391 4.861 4.470 -0.000 0.000 0.324 249 S C -0.791 174.045 174.600 0.394 0.000 1.081 249 S CA -0.577 57.900 58.200 0.461 0.000 1.105 249 S CB 0.442 63.954 63.200 0.520 0.000 0.981 249 S HN 0.513 nan 8.310 nan 0.000 0.464 250 L N 4.437 125.930 121.223 0.450 0.000 2.259 250 L HA 0.378 4.718 4.340 -0.000 0.000 0.288 250 L C 1.184 178.257 176.870 0.338 0.000 1.051 250 L CA 0.133 55.224 54.840 0.418 0.000 0.824 250 L CB 0.364 42.666 42.059 0.404 0.000 1.206 250 L HN 0.744 nan 8.230 nan 0.000 0.429 251 T N -0.350 114.366 114.554 0.271 0.000 2.906 251 T HA 0.699 5.049 4.350 -0.000 0.000 0.283 251 T C 0.792 175.606 174.700 0.190 0.000 1.098 251 T CA -0.295 61.963 62.100 0.264 0.000 0.960 251 T CB 0.188 69.217 68.868 0.269 0.000 1.776 251 T HN 0.511 nan 8.240 nan 0.000 0.594 252 G N -0.254 108.654 108.800 0.180 0.000 2.750 252 G HA2 0.481 4.441 3.960 -0.000 0.000 0.250 252 G HA3 0.481 4.441 3.960 -0.000 0.000 0.250 252 G C -0.258 174.530 174.900 -0.188 0.000 1.230 252 G CA -0.181 44.884 45.100 -0.059 0.000 0.883 252 G HN 1.195 nan 8.290 nan 0.000 0.573 253 A N -0.317 122.165 122.820 -0.563 0.000 2.602 253 A HA 0.832 5.152 4.320 -0.000 0.000 0.290 253 A C -0.501 176.762 177.584 -0.534 0.000 1.114 253 A CA -0.611 51.187 52.037 -0.398 0.000 0.683 253 A CB 2.045 21.019 19.000 -0.044 0.000 1.281 253 A HN 0.506 nan 8.150 nan 0.000 0.416 254 K N 1.756 122.039 120.400 -0.195 0.000 3.218 254 K HA 0.156 4.476 4.320 -0.000 0.000 0.187 254 K C -1.187 175.487 176.600 0.124 0.000 1.186 254 K CA -0.328 55.898 56.287 -0.101 0.000 0.827 254 K CB 0.159 32.607 32.500 -0.087 0.000 1.083 254 K HN 0.796 nan 8.250 nan 0.000 0.583 255 N N 1.665 120.421 118.700 0.093 0.000 2.492 255 N HA 0.064 4.804 4.740 -0.000 0.000 0.262 255 N C -0.177 175.479 175.510 0.243 0.000 1.202 255 N CA 0.323 53.475 53.050 0.170 0.000 0.926 255 N CB 0.574 39.115 38.487 0.090 0.000 1.078 255 N HN 0.331 nan 8.380 nan 0.000 0.454 256 H N 0.239 119.349 119.070 0.067 0.000 2.492 256 H HA 0.328 4.884 4.556 -0.000 0.000 0.345 256 H C -0.273 175.119 175.328 0.107 0.000 1.136 256 H CA -0.399 55.708 56.048 0.098 0.000 1.202 256 H CB 1.622 31.469 29.762 0.142 0.000 1.524 256 H HN 0.298 nan 8.280 nan 0.000 0.506 257 T N 4.263 118.924 114.554 0.178 0.000 2.786 257 T HA 0.335 4.685 4.350 -0.000 0.000 0.283 257 T C 0.365 175.123 174.700 0.096 0.000 0.992 257 T CA -0.603 61.589 62.100 0.153 0.000 0.954 257 T CB 0.625 69.598 68.868 0.175 0.000 0.934 257 T HN 0.328 nan 8.240 nan 0.000 0.440 258 I N 3.227 123.823 120.570 0.042 0.000 2.353 258 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 258 I C -0.417 175.684 176.117 -0.028 0.000 0.992 258 I CA -0.854 60.429 61.300 -0.029 0.000 1.268 258 I CB 1.507 39.432 38.000 -0.126 0.000 1.387 258 I HN 0.228 nan 8.210 nan 0.000 0.478 259 V N 7.529 127.377 119.914 -0.110 0.000 2.380 259 V HA 0.373 4.493 4.120 -0.000 0.000 0.286 259 V C 0.116 176.123 176.094 -0.145 0.000 1.015 259 V CA -0.480 61.720 62.300 -0.167 0.000 0.834 259 V CB 1.350 32.877 31.823 -0.494 0.000 1.009 259 V HN 0.510 nan 8.190 nan 0.000 0.428 260 L N 3.225 124.398 121.223 -0.083 0.000 2.439 260 L HA 0.480 4.820 4.340 -0.000 0.000 0.259 260 L C 1.500 178.338 176.870 -0.055 0.000 1.129 260 L CA -0.690 54.109 54.840 -0.068 0.000 0.803 260 L CB 0.739 42.763 42.059 -0.057 0.000 1.161 260 L HN 0.496 nan 8.230 nan 0.000 0.462 261 N N 1.310 119.985 118.700 -0.042 0.000 2.192 261 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 261 N C 0.948 176.449 175.510 -0.014 0.000 1.013 261 N CA 1.486 54.520 53.050 -0.026 0.000 0.863 261 N CB -0.282 38.193 38.487 -0.019 0.000 0.990 261 N HN 0.675 nan 8.380 nan 0.000 0.430 262 D N -0.073 120.319 120.400 -0.013 0.000 2.328 262 D HA 0.072 4.711 4.640 -0.000 0.000 0.226 262 D C 0.335 176.641 176.300 0.009 0.000 1.066 262 D CA -0.168 53.830 54.000 -0.003 0.000 0.861 262 D CB -0.239 40.557 40.800 -0.006 0.000 0.912 262 D HN 0.037 nan 8.370 nan 0.000 0.521 263 A N 1.006 123.832 122.820 0.011 0.000 2.425 263 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 263 A C 0.558 178.166 177.584 0.040 0.000 1.077 263 A CA -0.421 51.641 52.037 0.041 0.000 0.781 263 A CB 0.126 19.144 19.000 0.030 0.000 1.020 263 A HN 0.233 nan 8.150 nan 0.000 0.494 264 N N 3.019 121.758 118.700 0.065 0.000 2.555 264 N HA 0.006 4.746 4.740 -0.000 0.000 0.244 264 N C 0.991 176.525 175.510 0.040 0.000 1.114 264 N CA -0.433 52.648 53.050 0.052 0.000 0.963 264 N CB 0.215 38.740 38.487 0.064 0.000 1.276 264 N HN 0.626 nan 8.380 nan 0.000 0.510 265 L N 2.284 123.529 121.223 0.036 0.000 2.030 265 L HA -0.242 4.098 4.340 -0.000 0.000 0.222 265 L C 2.049 178.936 176.870 0.028 0.000 1.082 265 L CA 1.931 56.801 54.840 0.049 0.000 0.785 265 L CB -0.666 41.427 42.059 0.056 0.000 0.895 265 L HN 0.593 nan 8.230 nan 0.000 0.439 266 E N -0.095 120.117 120.200 0.020 0.000 2.033 266 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 266 E C 1.878 178.485 176.600 0.012 0.000 1.011 266 E CA 1.652 58.058 56.400 0.011 0.000 0.815 266 E CB -0.181 29.527 29.700 0.013 0.000 0.755 266 E HN 0.535 nan 8.360 nan 0.000 0.451 267 D N -0.399 120.019 120.400 0.030 0.000 2.097 267 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 267 D C 1.961 178.267 176.300 0.010 0.000 0.989 267 D CA 1.648 55.681 54.000 0.053 0.000 0.827 267 D CB -0.463 40.398 40.800 0.101 0.000 0.966 267 D HN 0.202 nan 8.370 nan 0.000 0.456 268 T N 1.119 115.626 114.554 -0.078 0.000 2.607 268 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 268 T C 2.319 176.835 174.700 -0.307 0.000 1.049 268 T CA 1.277 63.104 62.100 -0.455 0.000 1.162 268 T CB -0.617 67.977 68.868 -0.457 0.000 0.863 268 T HN -0.027 nan 8.240 nan 0.000 0.424 269 V N 1.576 121.446 119.914 -0.073 0.000 2.287 269 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 269 V C 2.831 178.906 176.094 -0.032 0.000 1.053 269 V CA 2.189 64.477 62.300 -0.021 0.000 1.027 269 V CB -1.300 30.493 31.823 -0.051 0.000 0.646 269 V HN 0.559 nan 8.190 nan 0.000 0.447 270 T N 0.090 114.633 114.554 -0.019 0.000 2.684 270 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 270 T C 1.862 176.595 174.700 0.055 0.000 1.036 270 T CA 1.670 63.780 62.100 0.017 0.000 1.148 270 T CB -0.396 68.491 68.868 0.031 0.000 0.863 270 T HN 0.467 nan 8.240 nan 0.000 0.436 271 N N 0.986 119.712 118.700 0.044 0.000 2.058 271 N HA -0.015 4.725 4.740 -0.000 0.000 0.191 271 N C 1.987 177.546 175.510 0.081 0.000 1.037 271 N CA 1.209 54.320 53.050 0.103 0.000 0.848 271 N CB -0.303 38.309 38.487 0.208 0.000 1.021 271 N HN 0.373 nan 8.380 nan 0.000 0.422 272 I N 0.970 121.530 120.570 -0.017 0.000 2.286 272 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 272 I C 2.231 178.347 176.117 -0.002 0.000 1.115 272 I CA 0.692 61.989 61.300 -0.005 0.000 1.392 272 I CB -0.276 37.716 38.000 -0.014 0.000 1.065 272 I HN -0.095 nan 8.210 nan 0.000 0.418 273 V N 1.189 121.134 119.914 0.052 0.000 2.332 273 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 273 V C 2.589 178.832 176.094 0.248 0.000 1.055 273 V CA 2.246 64.640 62.300 0.157 0.000 1.038 273 V CB -1.381 30.522 31.823 0.135 0.000 0.651 273 V HN 0.582 nan 8.190 nan 0.000 0.450 274 G N -0.574 108.371 108.800 0.242 0.000 2.402 274 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 274 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 274 G C 1.724 176.698 174.900 0.124 0.000 1.162 274 G CA 0.882 46.156 45.100 0.290 0.000 0.777 274 G HN 0.608 nan 8.290 nan 0.000 0.539 275 A N 0.630 123.486 122.820 0.060 0.000 2.015 275 A HA 0.422 4.742 4.320 -0.000 0.000 0.219 275 A C 2.574 180.099 177.584 -0.099 0.000 1.163 275 A CA 2.055 54.097 52.037 0.008 0.000 0.646 275 A CB -0.322 18.703 19.000 0.042 0.000 0.806 275 A HN 0.680 nan 8.150 nan 0.000 0.448 276 A N -2.084 120.590 122.820 -0.242 0.000 2.014 276 A HA 0.437 4.757 4.320 -0.000 0.000 0.210 276 A C 1.371 178.585 177.584 -0.616 0.000 1.188 276 A CA 0.746 52.456 52.037 -0.545 0.000 0.731 276 A CB -0.084 18.371 19.000 -0.908 0.000 0.858 276 A HN 0.415 nan 8.150 nan 0.000 0.464 277 F N -0.188 119.834 119.950 0.119 0.000 2.728 277 F HA 0.323 4.850 4.527 -0.000 0.000 0.314 277 F C 1.526 177.371 175.800 0.075 0.000 1.094 277 F CA -0.688 57.403 58.000 0.153 0.000 1.217 277 F CB -0.435 38.734 39.000 0.282 0.000 1.056 277 F HN 0.139 nan 8.300 nan 0.000 0.577 278 G N -0.361 108.497 108.800 0.098 0.000 2.491 278 G HA2 0.298 4.258 3.960 -0.000 0.000 0.242 278 G HA3 0.298 4.258 3.960 -0.000 0.000 0.242 278 G C 0.693 175.507 174.900 -0.144 0.000 1.266 278 G CA 0.163 45.155 45.100 -0.180 0.000 0.844 278 G HN 0.170 nan 8.290 nan 0.000 0.571 279 S N -0.338 115.247 115.700 -0.192 0.000 3.533 279 S HA -0.158 4.312 4.470 -0.000 0.000 0.347 279 S C 1.519 176.035 174.600 -0.140 0.000 1.101 279 S CA 1.360 59.458 58.200 -0.170 0.000 1.009 279 S CB -1.674 61.391 63.200 -0.225 0.000 0.916 279 S HN 2.634 nan 8.310 nan 0.000 0.496 280 A N -1.452 121.332 122.820 -0.059 0.000 2.798 280 A HA 0.083 4.403 4.320 -0.000 0.000 0.282 280 A C 2.163 179.709 177.584 -0.064 0.000 1.464 280 A CA 1.538 53.576 52.037 0.001 0.000 0.844 280 A CB -2.237 16.764 19.000 0.001 0.000 1.006 280 A HN 2.571 nan 8.150 nan 0.000 0.577 281 G N -1.725 107.007 108.800 -0.113 0.000 2.166 281 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 281 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 281 G C -0.032 174.554 174.900 -0.522 0.000 0.986 281 G CA 0.877 45.846 45.100 -0.219 0.000 0.683 281 G HN 1.242 nan 8.290 nan 0.000 0.527 282 E N 0.524 120.354 120.200 -0.617 0.000 2.261 282 E HA 0.338 4.688 4.350 -0.000 0.000 0.308 282 E C 0.705 176.737 176.600 -0.947 0.000 1.400 282 E CA -0.081 55.585 56.400 -1.223 0.000 1.542 282 E CB 0.219 29.587 29.700 -0.553 0.000 1.369 282 E HN 0.432 nan 8.360 nan 0.000 0.493 283 R N -0.070 120.033 120.500 -0.661 0.000 2.604 283 R HA 0.159 4.499 4.340 -0.000 0.000 0.281 283 R C 0.794 177.202 176.300 0.180 0.000 1.020 283 R CA -0.537 55.492 56.100 -0.119 0.000 0.899 283 R CB 1.065 31.343 30.300 -0.035 0.000 1.205 283 R HN 0.426 nan 8.270 nan 0.000 0.450 284 C N 1.155 120.677 119.300 0.370 0.000 2.422 284 C HA 0.047 4.507 4.460 -0.000 0.000 0.286 284 C C 1.499 176.635 174.990 0.243 0.000 1.412 284 C CA 0.213 59.432 59.018 0.334 0.000 1.786 284 C CB -0.333 27.635 27.740 0.379 0.000 1.835 284 C HN 0.632 nan 8.230 nan 0.000 0.533 285 M N 0.963 120.706 119.600 0.238 0.000 2.356 285 M HA 0.327 4.807 4.480 -0.000 0.000 0.262 285 M C 1.076 177.426 176.300 0.085 0.000 1.097 285 M CA 0.030 55.421 55.300 0.152 0.000 0.991 285 M CB -0.539 32.168 32.600 0.179 0.000 1.450 285 M HN 0.450 nan 8.290 nan 0.000 0.495 286 A N 0.667 123.516 122.820 0.048 0.000 2.445 286 A HA 0.137 4.457 4.320 -0.000 0.000 0.242 286 A C 0.207 177.775 177.584 -0.028 0.000 1.075 286 A CA -0.214 51.808 52.037 -0.025 0.000 0.777 286 A CB 0.205 19.138 19.000 -0.112 0.000 1.013 286 A HN 0.538 nan 8.150 nan 0.000 0.493 287 C N 2.694 121.961 119.300 -0.055 0.000 2.464 287 C HA 0.551 5.011 4.460 -0.000 0.000 0.370 287 C C 1.334 176.262 174.990 -0.103 0.000 1.267 287 C CA 0.129 59.117 59.018 -0.049 0.000 1.781 287 C CB -0.827 26.889 27.740 -0.039 0.000 2.431 287 C HN 0.929 nan 8.230 nan 0.000 0.556 288 A N 4.954 127.721 122.820 -0.088 0.000 1.963 288 A HA 0.419 4.739 4.320 -0.000 0.000 0.207 288 A C 0.533 178.043 177.584 -0.125 0.000 1.243 288 A CA 0.616 52.584 52.037 -0.114 0.000 0.728 288 A CB -0.048 18.875 19.000 -0.127 0.000 0.895 288 A HN 0.689 nan 8.150 nan 0.000 0.467 289 V N 0.156 119.944 119.914 -0.210 0.000 2.769 289 V HA 0.570 4.690 4.120 -0.000 0.000 0.312 289 V C -1.010 175.007 176.094 -0.129 0.000 1.061 289 V CA -0.602 61.560 62.300 -0.231 0.000 0.931 289 V CB 1.828 33.284 31.823 -0.612 0.000 1.010 289 V HN 0.064 nan 8.190 nan 0.000 0.433 290 V N 2.507 122.412 119.914 -0.014 0.000 2.525 290 V HA 0.495 4.615 4.120 -0.000 0.000 0.299 290 V C -0.038 176.083 176.094 0.045 0.000 1.034 290 V CA -0.474 61.843 62.300 0.029 0.000 0.863 290 V CB 2.312 34.183 31.823 0.080 0.000 0.999 290 V HN 1.029 nan 8.190 nan 0.000 0.423 291 T N 2.175 116.754 114.554 0.041 0.000 2.853 291 T HA 0.674 5.024 4.350 -0.000 0.000 0.317 291 T C -0.485 174.192 174.700 -0.038 0.000 1.059 291 T CA -0.568 61.559 62.100 0.046 0.000 0.954 291 T CB 0.865 69.799 68.868 0.109 0.000 0.994 291 T HN 0.283 nan 8.240 nan 0.000 0.479 292 V N 3.067 122.941 119.914 -0.066 0.000 2.567 292 V HA 0.390 4.510 4.120 -0.000 0.000 0.289 292 V C 0.754 176.808 176.094 -0.067 0.000 1.049 292 V CA -1.026 61.182 62.300 -0.152 0.000 0.969 292 V CB 1.206 32.931 31.823 -0.165 0.000 0.995 292 V HN 0.940 nan 8.190 nan 0.000 0.471 293 E N 1.679 121.831 120.200 -0.080 0.000 2.373 293 E HA 0.050 4.400 4.350 -0.000 0.000 0.267 293 E C 0.841 177.428 176.600 -0.020 0.000 1.032 293 E CA -0.209 56.167 56.400 -0.041 0.000 0.889 293 E CB 0.920 30.591 29.700 -0.047 0.000 0.984 293 E HN 0.739 nan 8.360 nan 0.000 0.425 294 E N 3.119 123.315 120.200 -0.005 0.000 2.068 294 E HA -0.226 4.124 4.350 -0.000 0.000 0.207 294 E C 1.749 178.354 176.600 0.010 0.000 1.032 294 E CA 2.193 58.597 56.400 0.007 0.000 0.839 294 E CB -0.651 29.052 29.700 0.006 0.000 0.758 294 E HN 0.776 nan 8.360 nan 0.000 0.457 295 G N 0.369 109.170 108.800 0.001 0.000 2.503 295 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 295 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 295 G C 1.654 176.562 174.900 0.013 0.000 1.131 295 G CA 1.040 46.143 45.100 0.004 0.000 0.756 295 G HN 0.443 nan 8.290 nan 0.000 0.572 296 I N -0.061 120.516 120.570 0.012 0.000 4.018 296 I HA 0.388 4.558 4.170 -0.000 0.000 0.337 296 I C 2.622 178.787 176.117 0.080 0.000 1.327 296 I CA 0.682 62.001 61.300 0.031 0.000 1.100 296 I CB 0.175 38.179 38.000 0.006 0.000 1.025 296 I HN 0.177 nan 8.210 nan 0.000 0.396 297 A N 1.031 123.894 122.820 0.072 0.000 1.873 297 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 297 A C 1.892 179.571 177.584 0.158 0.000 1.193 297 A CA 2.388 54.505 52.037 0.134 0.000 0.629 297 A CB -0.715 18.338 19.000 0.089 0.000 0.826 297 A HN 0.469 nan 8.150 nan 0.000 0.447 298 D N -0.949 119.505 120.400 0.090 0.000 2.092 298 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 298 D C 1.913 178.245 176.300 0.053 0.000 0.994 298 D CA 1.711 55.748 54.000 0.060 0.000 0.828 298 D CB -0.423 40.398 40.800 0.036 0.000 0.963 298 D HN 0.756 nan 8.370 nan 0.000 0.450 299 E N -0.475 119.763 120.200 0.064 0.000 2.150 299 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 299 E C 1.996 178.636 176.600 0.065 0.000 0.985 299 E CA 0.347 56.776 56.400 0.049 0.000 0.814 299 E CB -0.115 29.615 29.700 0.050 0.000 0.752 299 E HN 0.151 nan 8.360 nan 0.000 0.466 300 F N 1.013 120.948 119.950 -0.024 0.000 2.075 300 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 300 F C 2.050 177.833 175.800 -0.029 0.000 1.113 300 F CA 1.397 59.376 58.000 -0.034 0.000 1.218 300 F CB -0.252 38.726 39.000 -0.036 0.000 0.984 300 F HN 0.033 nan 8.300 nan 0.000 0.472 301 M N 0.678 120.161 119.600 -0.194 0.000 2.149 301 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 301 M C 2.504 178.664 176.300 -0.232 0.000 1.064 301 M CA 1.644 56.784 55.300 -0.267 0.000 1.102 301 M CB -2.090 30.476 32.600 -0.057 0.000 1.369 301 M HN 0.362 nan 8.290 nan 0.000 0.408 302 A N 0.415 123.150 122.820 -0.142 0.000 1.865 302 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 302 A C 2.319 179.817 177.584 -0.144 0.000 1.191 302 A CA 1.783 53.753 52.037 -0.111 0.000 0.623 302 A CB -0.576 18.386 19.000 -0.063 0.000 0.826 302 A HN 0.458 nan 8.150 nan 0.000 0.444 303 K N -1.004 119.296 120.400 -0.167 0.000 2.148 303 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 303 K C 1.954 178.420 176.600 -0.224 0.000 1.050 303 K CA 1.183 57.373 56.287 -0.162 0.000 0.942 303 K CB -0.361 32.066 32.500 -0.121 0.000 0.724 303 K HN 0.423 nan 8.250 nan 0.000 0.446 304 L N 1.933 122.931 121.223 -0.375 0.000 1.994 304 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 304 L C 2.106 178.848 176.870 -0.214 0.000 1.071 304 L CA 1.789 56.406 54.840 -0.371 0.000 0.745 304 L CB -0.535 41.147 42.059 -0.629 0.000 0.892 304 L HN 0.137 nan 8.230 nan 0.000 0.431 305 Q N -0.678 119.003 119.800 -0.198 0.000 2.170 305 Q HA -0.257 4.083 4.340 -0.000 0.000 0.203 305 Q C 2.167 178.086 176.000 -0.135 0.000 0.976 305 Q CA 1.727 57.443 55.803 -0.145 0.000 0.858 305 Q CB -0.249 28.415 28.738 -0.124 0.000 0.907 305 Q HN 0.697 nan 8.270 nan 0.000 0.433 306 E N 0.976 121.096 120.200 -0.133 0.000 2.077 306 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 306 E C 1.743 178.270 176.600 -0.122 0.000 0.989 306 E CA 0.982 57.313 56.400 -0.114 0.000 0.800 306 E CB 0.232 29.872 29.700 -0.100 0.000 0.746 306 E HN -0.002 nan 8.360 nan 0.000 0.452 307 K N -0.090 120.230 120.400 -0.134 0.000 2.062 307 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 307 K C 1.891 178.383 176.600 -0.180 0.000 1.051 307 K CA 0.677 56.878 56.287 -0.143 0.000 0.941 307 K CB -0.201 32.221 32.500 -0.129 0.000 0.719 307 K HN -0.007 nan 8.250 nan 0.000 0.440 308 V N 0.803 120.615 119.914 -0.171 0.000 2.594 308 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 308 V C 2.093 178.050 176.094 -0.228 0.000 1.069 308 V CA 1.861 64.026 62.300 -0.224 0.000 1.082 308 V CB -0.683 31.010 31.823 -0.218 0.000 0.680 308 V HN 0.374 nan 8.190 nan 0.000 0.469 309 A N -0.267 122.447 122.820 -0.176 0.000 2.067 309 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 309 A C 1.807 179.304 177.584 -0.145 0.000 1.158 309 A CA 1.720 53.667 52.037 -0.149 0.000 0.661 309 A CB -0.403 18.526 19.000 -0.119 0.000 0.801 309 A HN 0.540 nan 8.150 nan 0.000 0.452 310 D N -0.319 119.984 120.400 -0.162 0.000 2.347 310 D HA 0.104 4.743 4.640 -0.000 0.000 0.213 310 D C 0.456 176.647 176.300 -0.181 0.000 0.985 310 D CA 0.117 54.026 54.000 -0.152 0.000 0.879 310 D CB -0.189 40.523 40.800 -0.146 0.000 0.919 310 D HN 0.456 nan 8.370 nan 0.000 0.526 311 I N 1.751 122.175 120.570 -0.243 0.000 2.664 311 I HA -0.077 4.093 4.170 -0.000 0.000 0.284 311 I C 0.665 176.724 176.117 -0.097 0.000 1.154 311 I CA 0.498 61.647 61.300 -0.252 0.000 1.402 311 I CB 0.252 38.077 38.000 -0.292 0.000 1.395 311 I HN -0.361 nan 8.210 nan 0.000 0.545 312 K N 7.599 127.994 120.400 -0.010 0.000 2.213 312 K HA 0.579 4.899 4.320 -0.000 0.000 0.270 312 K C -0.560 176.069 176.600 0.049 0.000 1.002 312 K CA -0.568 55.721 56.287 0.003 0.000 0.868 312 K CB 1.706 34.209 32.500 0.005 0.000 1.093 312 K HN 0.471 nan 8.250 nan 0.000 0.454 313 I N 1.443 122.000 120.570 -0.023 0.000 2.488 313 I HA 0.560 4.729 4.170 -0.000 0.000 0.299 313 I C 0.720 176.734 176.117 -0.172 0.000 0.984 313 I CA -0.304 60.971 61.300 -0.042 0.000 1.250 313 I CB 1.726 39.670 38.000 -0.093 0.000 1.389 313 I HN 0.824 nan 8.210 nan 0.000 0.488 314 G N 4.000 112.719 108.800 -0.136 0.000 2.344 314 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.282 314 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.282 314 G C -1.608 173.400 174.900 0.181 0.000 1.281 314 G CA -0.796 44.186 45.100 -0.196 0.000 0.877 314 G HN 0.544 nan 8.290 nan 0.000 0.494 315 N N 0.963 119.753 118.700 0.149 0.000 2.452 315 N HA 0.226 4.966 4.740 -0.000 0.000 0.266 315 N C 1.715 177.285 175.510 0.101 0.000 1.209 315 N CA 0.928 54.083 53.050 0.175 0.000 0.929 315 N CB 1.228 39.776 38.487 0.101 0.000 1.063 315 N HN 0.923 nan 8.380 nan 0.000 0.472 316 G N 3.555 112.405 108.800 0.083 0.000 2.485 316 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.221 316 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.221 316 G C 1.290 176.199 174.900 0.016 0.000 1.115 316 G CA 0.428 45.549 45.100 0.034 0.000 0.751 316 G HN 0.551 nan 8.290 nan 0.000 0.567 317 L N 0.508 121.738 121.223 0.011 0.000 2.395 317 L HA 0.185 4.524 4.340 -0.000 0.000 0.218 317 L C 0.332 177.221 176.870 0.032 0.000 1.130 317 L CA 0.264 55.112 54.840 0.014 0.000 0.826 317 L CB -0.218 41.846 42.059 0.007 0.000 0.941 317 L HN 0.043 nan 8.230 nan 0.000 0.451 318 D N 0.569 120.988 120.400 0.033 0.000 2.308 318 D HA 0.132 4.772 4.640 -0.000 0.000 0.251 318 D C -0.171 176.147 176.300 0.031 0.000 1.127 318 D CA -0.374 53.644 54.000 0.029 0.000 0.876 318 D CB 0.728 41.542 40.800 0.022 0.000 1.176 318 D HN 0.145 nan 8.370 nan 0.000 0.446 319 D N 0.381 120.798 120.400 0.029 0.000 2.455 319 D HA 0.330 4.970 4.640 -0.000 0.000 0.241 319 D C 1.451 177.770 176.300 0.032 0.000 1.138 319 D CA -0.283 53.735 54.000 0.031 0.000 0.877 319 D CB 0.801 41.617 40.800 0.027 0.000 1.187 319 D HN 0.563 nan 8.370 nan 0.000 0.451 320 G N 0.737 109.563 108.800 0.044 0.000 2.258 320 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.233 320 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.233 320 G C 0.216 175.160 174.900 0.074 0.000 1.006 320 G CA 0.009 45.138 45.100 0.049 0.000 0.620 320 G HN 0.658 nan 8.290 nan 0.000 0.511 321 V N 2.224 122.179 119.914 0.068 0.000 2.485 321 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 321 V C 1.183 177.361 176.094 0.140 0.000 1.022 321 V CA 0.984 63.337 62.300 0.088 0.000 1.067 321 V CB 1.004 32.865 31.823 0.063 0.000 0.967 321 V HN 0.396 nan 8.190 nan 0.000 0.479 322 F N 5.586 125.549 119.950 0.020 0.000 2.289 322 F HA 0.358 4.885 4.527 -0.000 0.000 0.280 322 F C 0.681 176.513 175.800 0.053 0.000 1.045 322 F CA 0.346 58.366 58.000 0.033 0.000 1.236 322 F CB 0.325 39.339 39.000 0.024 0.000 1.116 322 F HN 0.352 nan 8.300 nan 0.000 0.550 323 L N 1.436 122.824 121.223 0.275 0.000 2.292 323 L HA 0.599 4.939 4.340 -0.000 0.000 0.284 323 L C 0.228 177.200 176.870 0.170 0.000 1.065 323 L CA -0.032 54.913 54.840 0.175 0.000 0.806 323 L CB 0.796 43.017 42.059 0.270 0.000 1.175 323 L HN 0.275 nan 8.230 nan 0.000 0.431 324 G N 4.493 113.373 108.800 0.134 0.000 2.828 324 G HA2 0.665 4.624 3.960 -0.000 0.000 0.244 324 G HA3 0.665 4.624 3.960 -0.000 0.000 0.244 324 G C -2.830 172.172 174.900 0.170 0.000 1.365 324 G CA -0.979 44.241 45.100 0.200 0.000 1.041 324 G HN 0.585 nan 8.290 nan 0.000 0.560 325 P HA 0.360 nan 4.420 nan 0.000 0.281 325 P C 0.085 177.303 177.300 -0.136 0.000 1.281 325 P CA -0.287 62.560 63.100 -0.422 0.000 0.811 325 P CB 1.582 32.735 31.700 -0.912 0.000 1.154 326 V N -1.354 118.512 119.914 -0.081 0.000 3.036 326 V HA 0.172 4.292 4.120 -0.000 0.000 0.308 326 V C 1.849 177.899 176.094 -0.074 0.000 1.070 326 V CA -0.401 61.884 62.300 -0.024 0.000 1.056 326 V CB -0.022 31.808 31.823 0.013 0.000 1.084 326 V HN 0.416 nan 8.190 nan 0.000 0.471 327 I N 0.521 120.996 120.570 -0.160 0.000 2.127 327 I HA -0.029 4.141 4.170 -0.000 0.000 0.241 327 I C 1.439 177.318 176.117 -0.397 0.000 1.075 327 I CA 1.619 62.713 61.300 -0.343 0.000 1.334 327 I CB -0.278 37.157 38.000 -0.943 0.000 1.040 327 I HN 0.754 nan 8.210 nan 0.000 0.405 328 R N -0.386 119.814 120.500 -0.500 0.000 2.912 328 R HA 0.219 4.558 4.340 -0.000 0.000 0.262 328 R C 1.012 176.776 176.300 -0.894 0.000 1.057 328 R CA -0.477 55.175 56.100 -0.746 0.000 0.981 328 R CB 0.659 30.676 30.300 -0.472 0.000 1.201 328 R HN -0.053 nan 8.270 nan 0.000 0.484 329 E N 0.940 120.450 120.200 -1.149 0.000 2.110 329 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 329 E C 1.055 177.520 176.600 -0.224 0.000 0.988 329 E CA 1.798 57.862 56.400 -0.561 0.000 0.804 329 E CB -0.061 29.498 29.700 -0.235 0.000 0.745 329 E HN 0.554 nan 8.360 nan 0.000 0.458 330 D N -0.542 119.724 120.400 -0.223 0.000 2.178 330 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 330 D C 1.069 177.329 176.300 -0.067 0.000 0.980 330 D CA 1.065 54.999 54.000 -0.111 0.000 0.842 330 D CB -0.080 40.658 40.800 -0.103 0.000 0.948 330 D HN 0.214 nan 8.370 nan 0.000 0.472 331 N N 0.277 118.917 118.700 -0.101 0.000 2.300 331 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 331 N C 1.642 177.172 175.510 0.034 0.000 1.016 331 N CA 0.463 53.505 53.050 -0.014 0.000 0.876 331 N CB -0.042 38.421 38.487 -0.040 0.000 0.979 331 N HN 0.179 nan 8.380 nan 0.000 0.432 332 K N 1.433 121.837 120.400 0.006 0.000 2.057 332 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 332 K C 1.416 178.063 176.600 0.078 0.000 1.049 332 K CA 1.209 57.536 56.287 0.068 0.000 0.931 332 K CB 0.087 32.646 32.500 0.099 0.000 0.714 332 K HN 0.074 nan 8.250 nan 0.000 0.440 333 K N 0.277 120.707 120.400 0.050 0.000 2.026 333 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 333 K C 2.352 178.984 176.600 0.053 0.000 1.048 333 K CA 1.319 57.633 56.287 0.046 0.000 0.929 333 K CB -0.177 32.336 32.500 0.021 0.000 0.713 333 K HN 0.130 nan 8.250 nan 0.000 0.439 334 R N 0.734 121.271 120.500 0.061 0.000 2.105 334 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 334 R C 1.886 178.296 176.300 0.184 0.000 1.135 334 R CA 1.841 57.988 56.100 0.078 0.000 0.967 334 R CB -0.182 30.194 30.300 0.128 0.000 0.861 334 R HN 0.160 nan 8.270 nan 0.000 0.442 335 T N 1.319 116.006 114.554 0.222 0.000 2.737 335 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 335 T C 1.635 176.480 174.700 0.242 0.000 1.038 335 T CA 0.944 63.213 62.100 0.282 0.000 1.144 335 T CB -0.127 68.864 68.868 0.206 0.000 0.866 335 T HN 0.068 nan 8.240 nan 0.000 0.434 336 L N 1.357 122.677 121.223 0.162 0.000 2.127 336 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 336 L C 2.688 179.631 176.870 0.121 0.000 1.089 336 L CA 1.305 56.226 54.840 0.136 0.000 0.757 336 L CB -1.189 40.928 42.059 0.098 0.000 0.899 336 L HN 0.240 nan 8.230 nan 0.000 0.434 337 S N -1.856 113.889 115.700 0.076 0.000 2.387 337 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 337 S C 2.135 176.737 174.600 0.003 0.000 1.026 337 S CA 0.789 58.988 58.200 -0.002 0.000 0.972 337 S CB -0.255 62.885 63.200 -0.100 0.000 0.814 337 S HN 0.458 nan 8.310 nan 0.000 0.477 338 Y N 1.454 121.807 120.300 0.089 0.000 2.163 338 Y HA 0.014 4.564 4.550 -0.000 0.000 0.288 338 Y C 2.222 178.189 175.900 0.111 0.000 1.136 338 Y CA 1.472 59.620 58.100 0.081 0.000 1.147 338 Y CB -0.179 38.336 38.460 0.091 0.000 0.987 338 Y HN 0.248 nan 8.280 nan 0.000 0.509 339 I N -0.249 120.541 120.570 0.365 0.000 2.248 339 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 339 I C 2.141 178.492 176.117 0.390 0.000 1.107 339 I CA 1.395 62.972 61.300 0.461 0.000 1.373 339 I CB -0.274 37.926 38.000 0.333 0.000 1.055 339 I HN 0.250 nan 8.210 nan 0.000 0.418 340 E N 1.310 121.643 120.200 0.222 0.000 2.028 340 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 340 E C 2.100 178.775 176.600 0.124 0.000 0.984 340 E CA 1.280 57.773 56.400 0.155 0.000 0.800 340 E CB -0.021 29.734 29.700 0.091 0.000 0.758 340 E HN 0.235 nan 8.360 nan 0.000 0.448 341 K N -0.528 119.921 120.400 0.082 0.000 2.218 341 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 341 K C 2.007 178.617 176.600 0.018 0.000 1.046 341 K CA 1.048 57.363 56.287 0.047 0.000 0.933 341 K CB -0.335 32.187 32.500 0.036 0.000 0.728 341 K HN 0.233 nan 8.250 nan 0.000 0.454 342 G N 1.425 110.199 108.800 -0.043 0.000 2.453 342 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 342 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 342 G C 1.447 176.342 174.900 -0.009 0.000 1.201 342 G CA 0.623 45.522 45.100 -0.335 0.000 0.784 342 G HN 0.102 nan 8.290 nan 0.000 0.545 343 L N 0.305 121.675 121.223 0.245 0.000 2.012 343 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 343 L C 2.776 179.721 176.870 0.125 0.000 1.073 343 L CA 1.672 56.658 54.840 0.243 0.000 0.748 343 L CB -0.459 41.733 42.059 0.222 0.000 0.891 343 L HN 0.347 nan 8.230 nan 0.000 0.431 344 E N 0.394 120.650 120.200 0.093 0.000 2.267 344 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 344 E C 1.425 178.053 176.600 0.047 0.000 0.998 344 E CA 1.130 57.567 56.400 0.061 0.000 0.830 344 E CB 0.153 29.883 29.700 0.050 0.000 0.751 344 E HN 0.577 nan 8.360 nan 0.000 0.491 345 E N -1.683 118.540 120.200 0.039 0.000 2.481 345 E HA 0.124 4.474 4.350 -0.000 0.000 0.198 345 E C 0.867 177.487 176.600 0.033 0.000 1.027 345 E CA 0.339 56.756 56.400 0.028 0.000 0.900 345 E CB 1.066 30.774 29.700 0.013 0.000 0.993 345 E HN 0.407 nan 8.360 nan 0.000 0.482 346 G N 1.364 110.197 108.800 0.055 0.000 2.231 346 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.206 346 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.206 346 G C 0.481 175.440 174.900 0.098 0.000 0.996 346 G CA -0.202 44.937 45.100 0.065 0.000 0.645 346 G HN 0.411 nan 8.290 nan 0.000 0.498 347 A N 0.494 123.380 122.820 0.110 0.000 2.511 347 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 347 A C 0.769 178.567 177.584 0.355 0.000 1.069 347 A CA 0.928 53.093 52.037 0.214 0.000 0.763 347 A CB 0.124 19.171 19.000 0.078 0.000 1.001 347 A HN 0.861 nan 8.150 nan 0.000 0.498 348 R N 3.425 124.103 120.500 0.297 0.000 2.235 348 R HA 0.307 4.646 4.340 -0.000 0.000 0.338 348 R C -0.489 175.873 176.300 0.104 0.000 1.087 348 R CA -0.418 55.791 56.100 0.182 0.000 0.948 348 R CB 0.024 30.387 30.300 0.105 0.000 1.099 348 R HN 0.777 nan 8.270 nan 0.000 0.483 349 L N 6.361 127.561 121.223 -0.039 0.000 2.704 349 L HA -0.008 4.332 4.340 -0.000 0.000 0.279 349 L C 0.447 177.181 176.870 -0.227 0.000 1.147 349 L CA -0.181 54.401 54.840 -0.430 0.000 0.994 349 L CB 0.684 42.499 42.059 -0.406 0.000 1.332 349 L HN 0.639 nan 8.230 nan 0.000 0.471 350 V N 4.225 124.022 119.914 -0.195 0.000 2.649 350 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 350 V C 0.748 176.767 176.094 -0.126 0.000 1.054 350 V CA 0.795 63.030 62.300 -0.109 0.000 1.073 350 V CB 0.337 32.127 31.823 -0.056 0.000 0.699 350 V HN 0.882 nan 8.190 nan 0.000 0.463 351 C N 0.388 119.585 119.300 -0.172 0.000 2.551 351 C HA 0.474 4.934 4.460 -0.000 0.000 0.332 351 C C -1.156 173.725 174.990 -0.182 0.000 1.139 351 C CA -1.084 57.843 59.018 -0.153 0.000 1.328 351 C CB 0.711 28.371 27.740 -0.135 0.000 1.903 351 C HN 0.444 nan 8.230 nan 0.000 0.459 352 D N 2.566 122.880 120.400 -0.144 0.000 2.233 352 D HA 0.437 5.077 4.640 -0.000 0.000 0.240 352 D C 0.737 176.987 176.300 -0.083 0.000 1.074 352 D CA 0.129 54.058 54.000 -0.119 0.000 0.838 352 D CB 1.922 42.669 40.800 -0.088 0.000 1.124 352 D HN 0.871 nan 8.370 nan 0.000 0.475 353 G N 2.946 111.714 108.800 -0.053 0.000 3.233 353 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.234 353 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.234 353 G C 1.194 176.103 174.900 0.014 0.000 1.137 353 G CA -0.182 44.902 45.100 -0.027 0.000 0.763 353 G HN 0.415 nan 8.290 nan 0.000 0.549 354 R N 0.404 120.914 120.500 0.016 0.000 2.276 354 R HA 0.131 4.471 4.340 -0.000 0.000 0.196 354 R C 0.777 177.089 176.300 0.020 0.000 0.961 354 R CA 0.231 56.353 56.100 0.036 0.000 1.024 354 R CB 0.227 30.553 30.300 0.043 0.000 0.940 354 R HN 0.595 nan 8.270 nan 0.000 0.480 355 E N 0.666 120.865 120.200 -0.003 0.000 2.227 355 E HA 0.151 4.501 4.350 -0.000 0.000 0.268 355 E C -0.854 175.732 176.600 -0.024 0.000 0.990 355 E CA -0.725 55.667 56.400 -0.013 0.000 0.856 355 E CB 0.676 30.360 29.700 -0.025 0.000 1.159 355 E HN 0.067 nan 8.360 nan 0.000 0.401 356 N N -0.265 118.418 118.700 -0.029 0.000 2.725 356 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 356 N C -1.398 174.082 175.510 -0.051 0.000 1.031 356 N CA 0.243 53.266 53.050 -0.045 0.000 0.720 356 N CB -0.798 37.655 38.487 -0.057 0.000 0.930 356 N HN 0.259 nan 8.380 nan 0.000 0.543 357 V N 0.892 120.789 119.914 -0.028 0.000 2.376 357 V HA 0.271 4.391 4.120 -0.000 0.000 0.287 357 V C 0.602 176.688 176.094 -0.014 0.000 1.015 357 V CA -0.567 61.726 62.300 -0.012 0.000 0.834 357 V CB 1.659 33.519 31.823 0.063 0.000 1.001 357 V HN 0.385 nan 8.190 nan 0.000 0.428 358 S N 2.864 118.501 115.700 -0.106 0.000 2.572 358 S HA -0.039 4.431 4.470 -0.000 0.000 0.262 358 S C 0.766 175.406 174.600 0.068 0.000 1.375 358 S CA 0.785 58.935 58.200 -0.082 0.000 0.996 358 S CB 0.551 63.607 63.200 -0.240 0.000 0.892 358 S HN 0.947 nan 8.310 nan 0.000 0.562 359 D N -0.648 119.787 120.400 0.058 0.000 2.469 359 D HA 0.243 4.883 4.640 -0.000 0.000 0.215 359 D C 0.481 176.809 176.300 0.045 0.000 1.154 359 D CA -0.170 53.873 54.000 0.071 0.000 0.832 359 D CB 0.094 40.913 40.800 0.031 0.000 1.008 359 D HN 0.463 nan 8.370 nan 0.000 0.506 360 D N -0.099 120.352 120.400 0.086 0.000 2.218 360 D HA 0.061 4.700 4.640 -0.000 0.000 0.204 360 D C 1.100 177.393 176.300 -0.011 0.000 0.976 360 D CA 0.962 54.994 54.000 0.053 0.000 0.853 360 D CB 0.188 41.040 40.800 0.087 0.000 0.939 360 D HN 0.317 nan 8.370 nan 0.000 0.481 361 G N -1.499 107.334 108.800 0.056 0.000 2.866 361 G HA2 0.387 4.347 3.960 -0.000 0.000 0.289 361 G HA3 0.387 4.347 3.960 -0.000 0.000 0.289 361 G C -1.394 173.178 174.900 -0.547 0.000 1.396 361 G CA -0.900 43.930 45.100 -0.451 0.000 0.848 361 G HN 0.003 nan 8.290 nan 0.000 0.515 362 Y N 0.640 120.725 120.300 -0.357 0.000 2.623 362 Y HA 0.387 4.937 4.550 -0.000 0.000 0.341 362 Y C -0.192 175.515 175.900 -0.321 0.000 1.292 362 Y CA -0.472 57.486 58.100 -0.237 0.000 1.840 362 Y CB -0.624 37.723 38.460 -0.188 0.000 1.865 362 Y HN 0.111 nan 8.280 nan 0.000 0.440 363 F N 0.449 120.440 119.950 0.068 0.000 2.379 363 F HA 0.578 5.105 4.527 -0.000 0.000 0.332 363 F C 0.035 175.870 175.800 0.058 0.000 1.096 363 F CA -1.124 56.906 58.000 0.050 0.000 1.105 363 F CB 1.291 40.297 39.000 0.010 0.000 1.189 363 F HN -0.162 nan 8.300 nan 0.000 0.515 364 V N 2.023 122.095 119.914 0.263 0.000 2.653 364 V HA 0.441 4.561 4.120 -0.000 0.000 0.298 364 V C 0.177 176.351 176.094 0.132 0.000 1.097 364 V CA -1.103 61.296 62.300 0.165 0.000 0.908 364 V CB 1.415 33.322 31.823 0.140 0.000 1.024 364 V HN 0.970 nan 8.190 nan 0.000 0.435 365 G N 5.305 114.149 108.800 0.072 0.000 2.664 365 G HA2 0.415 4.375 3.960 -0.000 0.000 0.242 365 G HA3 0.415 4.375 3.960 -0.000 0.000 0.242 365 G C -2.339 172.529 174.900 -0.053 0.000 1.225 365 G CA -0.845 44.254 45.100 -0.002 0.000 0.849 365 G HN 0.523 nan 8.290 nan 0.000 0.581 366 P HA 0.149 nan 4.420 nan 0.000 0.271 366 P C -0.008 177.119 177.300 -0.288 0.000 1.220 366 P CA 0.226 63.045 63.100 -0.468 0.000 0.768 366 P CB 0.985 31.935 31.700 -1.250 0.000 0.848 367 T N 1.939 116.473 114.554 -0.034 0.000 2.887 367 T HA 0.727 5.077 4.350 -0.000 0.000 0.288 367 T C -0.453 174.325 174.700 0.131 0.000 1.021 367 T CA -0.958 61.141 62.100 -0.002 0.000 1.000 367 T CB 1.307 70.192 68.868 0.029 0.000 1.034 367 T HN 0.456 nan 8.240 nan 0.000 0.467 368 I N 1.905 122.475 120.570 -0.001 0.000 2.607 368 I HA 0.679 4.849 4.170 -0.000 0.000 0.290 368 I C -1.968 174.113 176.117 -0.060 0.000 1.129 368 I CA -1.272 60.083 61.300 0.091 0.000 1.042 368 I CB 1.424 39.505 38.000 0.135 0.000 1.242 368 I HN 0.665 nan 8.210 nan 0.000 0.421 369 F N 5.111 125.120 119.950 0.097 0.000 2.432 369 F HA 0.546 5.072 4.527 -0.000 0.000 0.329 369 F C 0.391 176.238 175.800 0.078 0.000 1.076 369 F CA 0.099 58.149 58.000 0.083 0.000 1.018 369 F CB 1.268 40.323 39.000 0.091 0.000 1.201 369 F HN 0.509 nan 8.300 nan 0.000 0.489 370 D N -0.243 120.320 120.400 0.272 0.000 2.525 370 D HA 0.241 4.881 4.640 -0.000 0.000 0.249 370 D C -0.619 175.782 176.300 0.168 0.000 1.072 370 D CA -0.573 53.532 54.000 0.174 0.000 1.067 370 D CB 1.091 41.956 40.800 0.108 0.000 1.282 370 D HN 0.484 nan 8.370 nan 0.000 0.587 371 N N -0.515 118.254 118.700 0.115 0.000 2.701 371 N HA -0.189 4.551 4.740 -0.000 0.000 0.257 371 N C -0.115 175.443 175.510 0.080 0.000 0.969 371 N CA 0.903 54.003 53.050 0.085 0.000 0.786 371 N CB -1.117 37.414 38.487 0.073 0.000 0.917 371 N HN 0.252 nan 8.380 nan 0.000 0.541 372 V N -2.907 117.060 119.914 0.088 0.000 2.785 372 V HA 0.828 4.948 4.120 -0.000 0.000 0.300 372 V C 0.897 176.987 176.094 -0.007 0.000 1.062 372 V CA -0.143 62.192 62.300 0.059 0.000 1.029 372 V CB 1.897 33.778 31.823 0.097 0.000 1.024 372 V HN 0.318 nan 8.190 nan 0.000 0.477 373 T N -0.955 113.563 114.554 -0.060 0.000 2.907 373 T HA 0.391 4.741 4.350 -0.000 0.000 0.290 373 T C 0.693 175.176 174.700 -0.363 0.000 1.066 373 T CA 0.130 62.125 62.100 -0.176 0.000 1.012 373 T CB 1.303 70.099 68.868 -0.120 0.000 1.184 373 T HN 0.686 nan 8.240 nan 0.000 0.522 374 T N 0.662 114.848 114.554 -0.613 0.000 3.098 374 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 374 T C 1.219 175.666 174.700 -0.423 0.000 1.145 374 T CA 1.155 62.608 62.100 -1.077 0.000 1.092 374 T CB -0.251 68.011 68.868 -1.009 0.000 0.908 374 T HN 0.717 nan 8.240 nan 0.000 0.526 375 E N 0.145 120.233 120.200 -0.186 0.000 2.474 375 E HA 0.193 4.543 4.350 -0.000 0.000 0.194 375 E C 0.252 176.881 176.600 0.048 0.000 1.041 375 E CA 0.057 56.436 56.400 -0.035 0.000 0.874 375 E CB 0.131 29.809 29.700 -0.036 0.000 0.914 375 E HN 0.508 nan 8.360 nan 0.000 0.498 376 M N 0.479 120.119 119.600 0.066 0.000 2.249 376 M HA 0.095 4.575 4.480 -0.000 0.000 0.351 376 M C 1.130 177.551 176.300 0.201 0.000 1.180 376 M CA 0.019 55.383 55.300 0.106 0.000 1.127 376 M CB 1.325 33.961 32.600 0.059 0.000 1.546 376 M HN -0.144 nan 8.290 nan 0.000 0.461 377 T N 2.060 116.711 114.554 0.162 0.000 2.833 377 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 377 T C 1.700 176.522 174.700 0.204 0.000 1.054 377 T CA 0.982 63.207 62.100 0.209 0.000 1.135 377 T CB -0.044 68.947 68.868 0.205 0.000 0.869 377 T HN 0.486 nan 8.240 nan 0.000 0.466 378 I N -0.348 120.297 120.570 0.125 0.000 2.423 378 I HA -0.130 4.040 4.170 -0.000 0.000 0.254 378 I C 1.906 178.069 176.117 0.076 0.000 1.151 378 I CA 1.106 62.416 61.300 0.016 0.000 1.421 378 I CB -0.739 37.156 38.000 -0.176 0.000 1.079 378 I HN 0.488 nan 8.210 nan 0.000 0.431 379 W N 1.704 122.996 121.300 -0.012 0.000 2.640 379 W HA -0.013 4.646 4.660 -0.000 0.000 0.271 379 W C 2.316 178.891 176.519 0.094 0.000 1.218 379 W CA 0.430 57.792 57.345 0.028 0.000 1.382 379 W CB 0.023 29.511 29.460 0.047 0.000 1.067 379 W HN -0.168 nan 8.180 nan 0.000 0.590 380 K N 0.116 120.695 120.400 0.298 0.000 2.288 380 K HA -0.026 4.294 4.320 -0.000 0.000 0.201 380 K C -0.332 176.326 176.600 0.097 0.000 1.048 380 K CA 0.694 57.067 56.287 0.145 0.000 0.956 380 K CB -0.142 32.555 32.500 0.328 0.000 0.746 380 K HN -0.023 nan 8.250 nan 0.000 0.461 381 D N 0.888 121.336 120.400 0.080 0.000 2.268 381 D HA 0.079 4.718 4.640 -0.000 0.000 0.249 381 D C -0.835 175.395 176.300 -0.118 0.000 1.008 381 D CA -0.404 53.637 54.000 0.067 0.000 0.939 381 D CB 1.241 42.136 40.800 0.159 0.000 1.170 381 D HN -0.046 nan 8.370 nan 0.000 0.468 382 E N 1.857 121.978 120.200 -0.132 0.000 2.052 382 E HA 0.069 4.419 4.350 -0.000 0.000 0.283 382 E C 0.907 177.408 176.600 -0.166 0.000 1.071 382 E CA -0.504 55.772 56.400 -0.207 0.000 0.851 382 E CB 0.341 29.863 29.700 -0.296 0.000 1.066 382 E HN 0.268 nan 8.360 nan 0.000 0.396 383 I N 4.312 124.721 120.570 -0.267 0.000 2.315 383 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 383 I C 1.242 177.398 176.117 0.064 0.000 1.117 383 I CA 0.887 61.993 61.300 -0.322 0.000 1.404 383 I CB -0.982 36.836 38.000 -0.304 0.000 1.071 383 I HN 0.779 nan 8.210 nan 0.000 0.419 384 F N 0.743 120.630 119.950 -0.105 0.000 3.027 384 F HA -0.211 4.315 4.527 -0.000 0.000 0.276 384 F C 0.299 176.119 175.800 0.034 0.000 0.967 384 F CA 0.239 58.220 58.000 -0.031 0.000 0.929 384 F CB -0.822 38.181 39.000 0.005 0.000 0.873 384 F HN 0.261 nan 8.300 nan 0.000 0.787 385 A N 0.756 123.554 122.820 -0.037 0.000 2.529 385 A HA 0.796 5.116 4.320 -0.000 0.000 0.296 385 A C -2.697 174.914 177.584 0.044 0.000 1.205 385 A CA -0.630 51.414 52.037 0.012 0.000 0.671 385 A CB 1.192 20.256 19.000 0.107 0.000 1.301 385 A HN -0.037 nan 8.150 nan 0.000 0.450 386 P HA 0.316 nan 4.420 nan 0.000 0.218 386 P C -0.973 176.565 177.300 0.397 0.000 1.793 386 P CA 0.269 63.564 63.100 0.325 0.000 0.941 386 P CB -0.214 31.699 31.700 0.354 0.000 1.919 387 V N 2.898 122.962 119.914 0.249 0.000 2.349 387 V HA 0.289 4.409 4.120 -0.000 0.000 0.284 387 V C 0.284 176.489 176.094 0.185 0.000 1.014 387 V CA -0.728 61.732 62.300 0.266 0.000 0.826 387 V CB 2.299 34.253 31.823 0.218 0.000 1.009 387 V HN 0.275 nan 8.190 nan 0.000 0.431 388 L N 3.594 124.964 121.223 0.244 0.000 2.309 388 L HA 0.654 4.994 4.340 -0.000 0.000 0.282 388 L C 0.038 177.032 176.870 0.208 0.000 1.036 388 L CA 0.060 54.974 54.840 0.123 0.000 0.806 388 L CB 2.035 44.126 42.059 0.053 0.000 1.220 388 L HN 0.625 nan 8.230 nan 0.000 0.429 389 S N 2.574 118.362 115.700 0.146 0.000 2.473 389 S HA 0.624 5.093 4.470 -0.000 0.000 0.307 389 S C -0.647 174.045 174.600 0.153 0.000 1.094 389 S CA -0.507 57.807 58.200 0.190 0.000 1.070 389 S CB 1.990 65.287 63.200 0.161 0.000 1.019 389 S HN 0.339 nan 8.310 nan 0.000 0.480 390 V N 4.178 124.198 119.914 0.177 0.000 2.715 390 V HA 0.645 4.765 4.120 -0.000 0.000 0.310 390 V C -0.524 175.651 176.094 0.136 0.000 1.054 390 V CA -0.641 61.755 62.300 0.161 0.000 0.928 390 V CB 1.666 33.605 31.823 0.193 0.000 1.007 390 V HN 0.790 nan 8.190 nan 0.000 0.437 391 I N 2.931 123.568 120.570 0.112 0.000 2.607 391 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 391 I C -0.368 175.789 176.117 0.066 0.000 1.129 391 I CA -0.635 60.715 61.300 0.083 0.000 1.042 391 I CB 2.457 40.503 38.000 0.077 0.000 1.242 391 I HN 0.483 nan 8.210 nan 0.000 0.421 392 R N 4.622 125.155 120.500 0.054 0.000 2.265 392 R HA 0.621 4.961 4.340 -0.000 0.000 0.314 392 R C -0.705 175.611 176.300 0.027 0.000 1.053 392 R CA -0.477 55.647 56.100 0.040 0.000 0.931 392 R CB 1.456 31.780 30.300 0.041 0.000 1.024 392 R HN 0.479 nan 8.270 nan 0.000 0.457 393 V N -0.300 119.625 119.914 0.018 0.000 3.001 393 V HA 0.371 4.491 4.120 -0.000 0.000 0.314 393 V C 0.889 176.987 176.094 0.006 0.000 1.099 393 V CA -1.032 61.278 62.300 0.016 0.000 0.989 393 V CB 2.164 34.003 31.823 0.027 0.000 1.040 393 V HN 0.759 nan 8.190 nan 0.000 0.434 394 K N 1.588 121.990 120.400 0.004 0.000 2.103 394 K HA 0.079 4.399 4.320 -0.000 0.000 0.204 394 K C 0.532 177.125 176.600 -0.012 0.000 1.052 394 K CA 1.606 57.891 56.287 -0.003 0.000 0.945 394 K CB 0.060 32.558 32.500 -0.003 0.000 0.722 394 K HN 1.042 nan 8.250 nan 0.000 0.443 395 N N -2.517 116.176 118.700 -0.012 0.000 3.227 395 N HA -0.054 4.686 4.740 -0.000 0.000 0.241 395 N C 0.247 175.748 175.510 -0.016 0.000 1.480 395 N CA -0.652 52.382 53.050 -0.027 0.000 0.886 395 N CB 0.450 38.910 38.487 -0.046 0.000 1.406 395 N HN -0.150 nan 8.380 nan 0.000 0.514 396 L N 1.362 122.564 121.223 -0.035 0.000 2.051 396 L HA -0.165 4.175 4.340 -0.000 0.000 0.214 396 L C 2.496 179.405 176.870 0.066 0.000 1.076 396 L CA 2.067 56.908 54.840 0.002 0.000 0.758 396 L CB -0.738 41.304 42.059 -0.028 0.000 0.890 396 L HN 0.827 nan 8.230 nan 0.000 0.433 397 K N -0.580 119.826 120.400 0.010 0.000 2.032 397 K HA -0.275 4.045 4.320 -0.000 0.000 0.209 397 K C 2.205 178.871 176.600 0.110 0.000 1.048 397 K CA 1.978 58.323 56.287 0.095 0.000 0.927 397 K CB -0.303 32.207 32.500 0.018 0.000 0.712 397 K HN 0.592 nan 8.250 nan 0.000 0.441 398 E N -0.304 119.934 120.200 0.064 0.000 2.150 398 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 398 E C 1.738 178.393 176.600 0.091 0.000 0.985 398 E CA 0.861 57.300 56.400 0.064 0.000 0.814 398 E CB -0.074 29.648 29.700 0.037 0.000 0.752 398 E HN 0.442 nan 8.360 nan 0.000 0.466 399 A N 1.217 124.097 122.820 0.100 0.000 1.877 399 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 399 A C 2.140 179.833 177.584 0.180 0.000 1.186 399 A CA 1.278 53.396 52.037 0.135 0.000 0.620 399 A CB -0.582 18.481 19.000 0.106 0.000 0.822 399 A HN 0.314 nan 8.150 nan 0.000 0.443 400 I N -0.349 120.334 120.570 0.189 0.000 2.315 400 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 400 I C 2.409 178.612 176.117 0.143 0.000 1.117 400 I CA 1.519 62.938 61.300 0.198 0.000 1.404 400 I CB -0.491 37.656 38.000 0.245 0.000 1.071 400 I HN 0.436 nan 8.210 nan 0.000 0.419 401 E N 0.940 121.219 120.200 0.133 0.000 2.110 401 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 401 E C 2.277 178.948 176.600 0.118 0.000 0.988 401 E CA 1.175 57.638 56.400 0.105 0.000 0.804 401 E CB -0.054 29.697 29.700 0.085 0.000 0.745 401 E HN 0.520 nan 8.360 nan 0.000 0.458 402 I N 1.102 121.760 120.570 0.147 0.000 2.202 402 I HA -0.237 3.932 4.170 -0.000 0.000 0.242 402 I C 2.578 178.892 176.117 0.328 0.000 1.091 402 I CA 0.905 62.333 61.300 0.214 0.000 1.368 402 I CB -0.302 37.840 38.000 0.236 0.000 1.058 402 I HN 0.080 nan 8.210 nan 0.000 0.410 403 A N 0.938 123.857 122.820 0.164 0.000 1.902 403 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 403 A C 2.011 179.530 177.584 -0.108 0.000 1.181 403 A CA 1.789 53.668 52.037 -0.264 0.000 0.623 403 A CB -0.663 18.230 19.000 -0.179 0.000 0.818 403 A HN 0.401 nan 8.150 nan 0.000 0.443 404 N N -0.262 118.453 118.700 0.026 0.000 2.364 404 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 404 N C 1.531 177.094 175.510 0.087 0.000 1.022 404 N CA 1.323 54.399 53.050 0.043 0.000 0.883 404 N CB -0.284 38.233 38.487 0.050 0.000 0.965 404 N HN 0.658 nan 8.380 nan 0.000 0.438 405 K N 0.709 121.211 120.400 0.170 0.000 2.288 405 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 405 K C 0.549 177.356 176.600 0.345 0.000 1.048 405 K CA 0.088 56.524 56.287 0.249 0.000 0.956 405 K CB 0.052 32.715 32.500 0.272 0.000 0.746 405 K HN -0.042 nan 8.250 nan 0.000 0.461 406 S N 0.896 116.752 115.700 0.261 0.000 2.562 406 S HA -0.065 4.405 4.470 -0.000 0.000 0.281 406 S C 1.016 175.582 174.600 -0.056 0.000 1.333 406 S CA -0.224 57.962 58.200 -0.023 0.000 1.052 406 S CB 1.169 64.233 63.200 -0.227 0.000 0.884 406 S HN 0.417 nan 8.310 nan 0.000 0.506 407 E N 3.129 123.233 120.200 -0.161 0.000 2.150 407 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 407 E C -0.407 175.918 176.600 -0.459 0.000 0.985 407 E CA 0.768 56.967 56.400 -0.334 0.000 0.814 407 E CB 0.030 29.424 29.700 -0.510 0.000 0.752 407 E HN 0.693 nan 8.360 nan 0.000 0.466 408 F N -0.144 119.754 119.950 -0.087 0.000 2.370 408 F HA 0.470 4.997 4.527 -0.000 0.000 0.319 408 F C 0.518 176.287 175.800 -0.051 0.000 1.129 408 F CA -0.204 57.755 58.000 -0.068 0.000 1.109 408 F CB 1.609 40.575 39.000 -0.056 0.000 1.262 408 F HN -0.086 nan 8.300 nan 0.000 0.534 409 A N 1.389 124.317 122.820 0.180 0.000 3.426 409 A HA 0.215 4.535 4.320 -0.000 0.000 0.222 409 A C 0.012 177.671 177.584 0.126 0.000 1.090 409 A CA -0.489 51.625 52.037 0.129 0.000 1.026 409 A CB -0.662 18.438 19.000 0.167 0.000 1.342 409 A HN 0.901 nan 8.150 nan 0.000 0.695 410 N N 0.312 119.075 118.700 0.105 0.000 2.244 410 N HA 0.187 4.927 4.740 -0.000 0.000 0.189 410 N C 0.968 176.447 175.510 -0.051 0.000 1.047 410 N CA 1.131 54.208 53.050 0.045 0.000 0.870 410 N CB 0.303 38.840 38.487 0.084 0.000 1.041 410 N HN 0.562 nan 8.380 nan 0.000 0.448 411 G N -0.741 108.048 108.800 -0.019 0.000 2.730 411 G HA2 0.738 4.698 3.960 -0.000 0.000 0.289 411 G HA3 0.738 4.698 3.960 -0.000 0.000 0.289 411 G C -1.868 173.051 174.900 0.032 0.000 1.341 411 G CA -0.259 44.813 45.100 -0.048 0.000 0.932 411 G HN 0.445 nan 8.290 nan 0.000 0.481 412 A N -1.341 121.515 122.820 0.060 0.000 2.594 412 A HA 0.626 4.946 4.320 -0.000 0.000 0.296 412 A C -0.954 176.769 177.584 0.233 0.000 1.056 412 A CA -0.511 51.637 52.037 0.185 0.000 0.693 412 A CB 0.770 19.913 19.000 0.238 0.000 1.278 412 A HN 1.312 nan 8.150 nan 0.000 0.408 413 C N 0.713 120.114 119.300 0.168 0.000 2.779 413 C HA 0.900 5.360 4.460 -0.000 0.000 0.314 413 C C -0.769 174.047 174.990 -0.290 0.000 1.231 413 C CA -0.605 58.396 59.018 -0.029 0.000 1.652 413 C CB 1.336 29.054 27.740 -0.037 0.000 2.198 413 C HN 1.013 nan 8.230 nan 0.000 0.483 414 L N 1.567 122.440 121.223 -0.583 0.000 2.439 414 L HA 0.672 5.011 4.340 -0.000 0.000 0.270 414 L C -1.634 174.886 176.870 -0.584 0.000 0.972 414 L CA -0.099 54.336 54.840 -0.674 0.000 0.836 414 L CB 0.734 42.087 42.059 -1.177 0.000 1.255 414 L HN 0.624 nan 8.230 nan 0.000 0.404 415 F N 4.251 124.067 119.950 -0.223 0.000 2.332 415 F HA 0.751 5.278 4.527 -0.000 0.000 0.368 415 F C 0.570 176.288 175.800 -0.136 0.000 1.110 415 F CA -0.099 57.814 58.000 -0.145 0.000 1.087 415 F CB 1.728 40.654 39.000 -0.123 0.000 1.235 415 F HN 0.589 nan 8.300 nan 0.000 0.470 416 T N 0.510 115.050 114.554 -0.023 0.000 2.700 416 T HA 0.341 4.691 4.350 -0.000 0.000 0.307 416 T C -0.306 174.378 174.700 -0.027 0.000 1.580 416 T CA -0.465 61.620 62.100 -0.026 0.000 0.992 416 T CB 1.371 70.201 68.868 -0.063 0.000 1.577 416 T HN 0.231 nan 8.240 nan 0.000 0.496 417 S N 1.265 116.955 115.700 -0.016 0.000 2.819 417 S HA 0.292 4.762 4.470 -0.000 0.000 0.249 417 S C -0.091 174.502 174.600 -0.012 0.000 1.030 417 S CA -0.448 57.745 58.200 -0.012 0.000 1.052 417 S CB -0.085 63.114 63.200 -0.001 0.000 1.017 417 S HN 0.635 nan 8.310 nan 0.000 0.576 418 N N 1.191 119.882 118.700 -0.016 0.000 2.414 418 N HA 0.297 5.037 4.740 -0.000 0.000 0.256 418 N C 0.926 176.435 175.510 -0.001 0.000 1.029 418 N CA 0.039 53.083 53.050 -0.010 0.000 0.948 418 N CB 0.844 39.322 38.487 -0.015 0.000 1.102 418 N HN -0.152 nan 8.380 nan 0.000 0.496 419 S N 2.978 118.680 115.700 0.003 0.000 2.365 419 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 419 S C 1.333 175.951 174.600 0.030 0.000 1.039 419 S CA 1.475 59.682 58.200 0.012 0.000 1.033 419 S CB -0.464 62.742 63.200 0.009 0.000 0.887 419 S HN 0.736 nan 8.310 nan 0.000 0.447 420 N N 1.267 119.984 118.700 0.029 0.000 2.149 420 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 420 N C 1.957 177.519 175.510 0.087 0.000 1.019 420 N CA 0.957 54.037 53.050 0.049 0.000 0.857 420 N CB -0.249 38.253 38.487 0.024 0.000 0.997 420 N HN 0.420 nan 8.380 nan 0.000 0.426 421 A N 1.562 124.415 122.820 0.055 0.000 1.873 421 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 421 A C 2.162 179.840 177.584 0.156 0.000 1.186 421 A CA 0.933 53.016 52.037 0.077 0.000 0.616 421 A CB -0.661 18.340 19.000 0.003 0.000 0.823 421 A HN 0.153 nan 8.150 nan 0.000 0.442 422 I N -0.752 119.877 120.570 0.098 0.000 2.118 422 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 422 I C 2.772 178.998 176.117 0.181 0.000 1.070 422 I CA 2.079 63.459 61.300 0.134 0.000 1.327 422 I CB -0.350 37.684 38.000 0.057 0.000 1.034 422 I HN 0.417 nan 8.210 nan 0.000 0.405 423 R N 0.208 120.778 120.500 0.117 0.000 2.070 423 R HA -0.258 4.082 4.340 -0.000 0.000 0.233 423 R C 2.604 178.958 176.300 0.089 0.000 1.137 423 R CA 1.901 58.045 56.100 0.074 0.000 0.945 423 R CB -0.666 29.666 30.300 0.052 0.000 0.845 423 R HN 0.313 nan 8.270 nan 0.000 0.430 424 Y N 0.583 120.911 120.300 0.047 0.000 2.151 424 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 424 Y C 1.949 177.899 175.900 0.084 0.000 1.166 424 Y CA 2.148 60.277 58.100 0.048 0.000 1.163 424 Y CB -0.490 38.002 38.460 0.052 0.000 0.974 424 Y HN 0.213 nan 8.280 nan 0.000 0.511 425 F N 1.127 121.142 119.950 0.107 0.000 2.026 425 F HA -0.210 4.316 4.527 -0.000 0.000 0.296 425 F C 2.708 178.460 175.800 -0.081 0.000 1.133 425 F CA 2.323 60.341 58.000 0.031 0.000 1.188 425 F CB -0.920 38.098 39.000 0.030 0.000 0.968 425 F HN -0.051 nan 8.300 nan 0.000 0.476 426 R N 0.480 120.800 120.500 -0.300 0.000 2.105 426 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 426 R C 1.967 178.049 176.300 -0.363 0.000 1.135 426 R CA 1.841 57.669 56.100 -0.453 0.000 0.967 426 R CB -0.511 29.654 30.300 -0.225 0.000 0.861 426 R HN 0.371 nan 8.270 nan 0.000 0.442 427 E N 0.117 120.153 120.200 -0.273 0.000 2.208 427 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 427 E C 1.098 177.514 176.600 -0.305 0.000 0.988 427 E CA 1.089 57.330 56.400 -0.265 0.000 0.828 427 E CB -0.076 29.485 29.700 -0.231 0.000 0.763 427 E HN 0.516 nan 8.360 nan 0.000 0.478 428 N N -0.416 118.066 118.700 -0.362 0.000 2.332 428 N HA 0.070 4.810 4.740 -0.000 0.000 0.190 428 N C 0.422 175.801 175.510 -0.218 0.000 1.117 428 N CA -0.270 52.596 53.050 -0.307 0.000 0.883 428 N CB 0.684 38.917 38.487 -0.424 0.000 1.089 428 N HN 0.001 nan 8.380 nan 0.000 0.480 429 I N 1.109 121.505 120.570 -0.289 0.000 2.892 429 I HA -0.085 4.085 4.170 -0.000 0.000 0.287 429 I C 0.672 176.663 176.117 -0.211 0.000 1.205 429 I CA 0.470 61.617 61.300 -0.255 0.000 1.409 429 I CB 0.677 38.345 38.000 -0.553 0.000 1.367 429 I HN 0.065 nan 8.210 nan 0.000 0.597 430 D N 4.326 124.661 120.400 -0.108 0.000 2.277 430 D HA 0.179 4.819 4.640 -0.000 0.000 0.209 430 D C 0.457 176.735 176.300 -0.036 0.000 0.970 430 D CA 0.639 54.622 54.000 -0.029 0.000 0.874 430 D CB -0.195 40.657 40.800 0.086 0.000 0.982 430 D HN 0.627 nan 8.370 nan 0.000 0.504 431 A N 0.347 123.127 122.820 -0.066 0.000 2.561 431 A HA 0.372 4.692 4.320 -0.000 0.000 0.234 431 A C 1.546 179.017 177.584 -0.188 0.000 1.055 431 A CA 0.726 52.721 52.037 -0.069 0.000 0.756 431 A CB 0.323 19.283 19.000 -0.066 0.000 0.986 431 A HN 0.241 nan 8.150 nan 0.000 0.505 432 G N 0.832 109.519 108.800 -0.188 0.000 2.744 432 G HA2 0.263 4.223 3.960 -0.000 0.000 0.211 432 G HA3 0.263 4.223 3.960 -0.000 0.000 0.211 432 G C 0.509 175.193 174.900 -0.361 0.000 1.146 432 G CA -0.068 44.844 45.100 -0.313 0.000 0.787 432 G HN 0.614 nan 8.290 nan 0.000 0.534 433 M N 1.853 121.251 119.600 -0.338 0.000 2.131 433 M HA 0.385 4.864 4.480 -0.000 0.000 0.345 433 M C -1.373 174.772 176.300 -0.259 0.000 1.060 433 M CA -0.590 54.484 55.300 -0.377 0.000 1.011 433 M CB 1.804 34.103 32.600 -0.502 0.000 1.328 433 M HN -0.159 nan 8.290 nan 0.000 0.396 434 L N 2.017 123.092 121.223 -0.246 0.000 2.334 434 L HA 0.786 5.126 4.340 -0.000 0.000 0.277 434 L C 0.566 177.378 176.870 -0.096 0.000 1.075 434 L CA -0.239 54.523 54.840 -0.129 0.000 0.804 434 L CB 1.636 43.582 42.059 -0.187 0.000 1.174 434 L HN 0.653 nan 8.230 nan 0.000 0.438 435 G N 3.739 112.530 108.800 -0.015 0.000 2.723 435 G HA2 0.615 4.575 3.960 -0.000 0.000 0.295 435 G HA3 0.615 4.575 3.960 -0.000 0.000 0.295 435 G C -1.135 173.658 174.900 -0.178 0.000 1.464 435 G CA -0.287 44.751 45.100 -0.104 0.000 1.012 435 G HN 0.281 nan 8.290 nan 0.000 0.522 436 I N 2.447 122.896 120.570 -0.200 0.000 2.330 436 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 436 I C 0.046 175.938 176.117 -0.375 0.000 1.001 436 I CA -0.839 60.286 61.300 -0.291 0.000 1.193 436 I CB 0.898 38.806 38.000 -0.154 0.000 1.345 436 I HN 0.585 nan 8.210 nan 0.000 0.461 437 N N 4.947 123.219 118.700 -0.713 0.000 2.754 437 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 437 N C -0.902 174.447 175.510 -0.268 0.000 1.093 437 N CA 0.746 53.453 53.050 -0.572 0.000 0.699 437 N CB -1.053 37.347 38.487 -0.144 0.000 1.016 437 N HN 0.561 nan 8.380 nan 0.000 0.552 438 L N -1.758 119.224 121.223 -0.403 0.000 2.482 438 L HA 0.514 4.854 4.340 -0.000 0.000 0.263 438 L C 1.529 178.451 176.870 0.086 0.000 0.957 438 L CA -0.573 54.243 54.840 -0.040 0.000 0.836 438 L CB 1.951 43.968 42.059 -0.070 0.000 1.324 438 L HN 0.052 nan 8.230 nan 0.000 0.406 439 G N 1.603 110.551 108.800 0.247 0.000 2.408 439 G HA2 0.033 3.993 3.960 -0.000 0.000 0.215 439 G HA3 0.033 3.993 3.960 -0.000 0.000 0.215 439 G C 0.377 175.355 174.900 0.129 0.000 1.156 439 G CA 0.454 45.711 45.100 0.262 0.000 0.793 439 G HN 0.250 nan 8.290 nan 0.000 0.535 440 V N 2.856 122.820 119.914 0.083 0.000 2.293 440 V HA 0.253 4.373 4.120 -0.000 0.000 0.275 440 V C -1.423 174.672 176.094 0.003 0.000 1.021 440 V CA -1.217 61.115 62.300 0.054 0.000 0.815 440 V CB 1.847 33.715 31.823 0.075 0.000 1.025 440 V HN 0.181 nan 8.190 nan 0.000 0.448 441 P HA 0.087 nan 4.420 nan 0.000 0.258 441 P C 0.439 177.631 177.300 -0.180 0.000 1.319 441 P CA 0.071 63.106 63.100 -0.109 0.000 0.785 441 P CB 0.270 31.906 31.700 -0.108 0.000 1.252 442 A N 2.893 125.642 122.820 -0.119 0.000 2.484 442 A HA 0.344 4.664 4.320 -0.000 0.000 0.268 442 A C -1.562 175.921 177.584 -0.169 0.000 1.114 442 A CA -1.016 50.934 52.037 -0.146 0.000 0.780 442 A CB -0.667 18.383 19.000 0.084 0.000 1.061 442 A HN 0.198 nan 8.150 nan 0.000 0.505 443 P HA 0.200 nan 4.420 nan 0.000 0.274 443 P C -0.077 177.117 177.300 -0.177 0.000 1.231 443 P CA -0.239 62.705 63.100 -0.261 0.000 0.790 443 P CB 0.598 32.071 31.700 -0.378 0.000 0.951 444 M N 1.197 120.671 119.600 -0.209 0.000 2.226 444 M HA 0.118 4.598 4.480 -0.000 0.000 0.324 444 M C 1.857 177.761 176.300 -0.660 0.000 1.112 444 M CA -0.198 54.818 55.300 -0.473 0.000 1.176 444 M CB 0.433 32.569 32.600 -0.773 0.000 1.430 444 M HN 0.491 nan 8.290 nan 0.000 0.462 445 A N 2.274 124.695 122.820 -0.666 0.000 1.929 445 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 445 A C 1.463 178.519 177.584 -0.880 0.000 1.211 445 A CA 2.352 54.049 52.037 -0.567 0.000 0.657 445 A CB -1.181 17.629 19.000 -0.317 0.000 0.827 445 A HN 0.864 nan 8.150 nan 0.000 0.462 446 F N -2.891 116.472 119.950 -0.978 0.000 2.722 446 F HA 0.405 4.931 4.527 -0.000 0.000 0.298 446 F C 0.347 175.581 175.800 -0.943 0.000 1.175 446 F CA -0.589 56.426 58.000 -1.643 0.000 1.462 446 F CB -1.172 37.099 39.000 -1.215 0.000 1.111 446 F HN 0.051 nan 8.300 nan 0.000 0.592 447 F N 2.283 121.998 119.950 -0.393 0.000 2.492 447 F HA 0.511 5.038 4.527 -0.000 0.000 0.327 447 F C -2.153 173.514 175.800 -0.223 0.000 1.079 447 F CA -2.982 54.896 58.000 -0.204 0.000 0.967 447 F CB 1.740 40.620 39.000 -0.200 0.000 1.169 447 F HN -0.339 nan 8.300 nan 0.000 0.472 448 P HA 0.024 nan 4.420 nan 0.000 0.279 448 P C -0.494 176.709 177.300 -0.162 0.000 1.239 448 P CA -0.124 62.960 63.100 -0.027 0.000 0.789 448 P CB 0.642 32.366 31.700 0.039 0.000 0.933 449 F N 3.031 122.734 119.950 -0.412 0.000 2.677 449 F HA 0.015 4.542 4.527 -0.000 0.000 0.358 449 F C 0.699 176.071 175.800 -0.715 0.000 1.266 449 F CA 0.056 57.738 58.000 -0.530 0.000 1.262 449 F CB -0.610 37.981 39.000 -0.683 0.000 1.684 449 F HN 0.151 nan 8.300 nan 0.000 0.671 450 S N 1.839 117.024 115.700 -0.859 0.000 2.503 450 S HA 0.466 4.935 4.470 -0.000 0.000 0.317 450 S C 0.684 174.786 174.600 -0.830 0.000 1.162 450 S CA -0.379 57.029 58.200 -1.319 0.000 1.124 450 S CB 0.200 62.936 63.200 -0.773 0.000 1.207 450 S HN 0.584 nan 8.310 nan 0.000 0.538 451 G N 1.907 110.300 108.800 -0.677 0.000 2.557 451 G HA2 0.620 4.580 3.960 -0.000 0.000 0.302 451 G HA3 0.620 4.580 3.960 -0.000 0.000 0.302 451 G C -1.142 173.924 174.900 0.277 0.000 1.311 451 G CA -1.144 43.886 45.100 -0.116 0.000 1.030 451 G HN 0.711 nan 8.290 nan 0.000 0.509 452 W N -0.756 120.556 121.300 0.021 0.000 3.005 452 W HA 0.332 4.991 4.660 -0.000 0.000 0.343 452 W C -0.355 176.167 176.519 0.004 0.000 1.243 452 W CA -0.670 56.712 57.345 0.061 0.000 1.186 452 W CB 1.386 30.840 29.460 -0.010 0.000 1.453 452 W HN 0.701 nan 8.180 nan 0.000 0.575 453 K N -0.165 119.854 120.400 -0.636 0.000 1.882 453 K HA -0.246 4.074 4.320 -0.000 0.000 0.199 453 K C 0.773 177.101 176.600 -0.453 0.000 1.562 453 K CA 1.623 57.598 56.287 -0.519 0.000 0.515 453 K CB -1.743 30.602 32.500 -0.258 0.000 0.682 453 K HN 0.470 nan 8.250 nan 0.000 0.843 454 S N 1.034 116.515 115.700 -0.366 0.000 2.595 454 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 454 S C 1.490 175.882 174.600 -0.347 0.000 0.974 454 S CA 1.085 59.046 58.200 -0.399 0.000 0.942 454 S CB -0.106 62.811 63.200 -0.472 0.000 0.766 454 S HN 0.425 nan 8.310 nan 0.000 0.536 455 S N 0.393 115.986 115.700 -0.179 0.000 2.503 455 S HA 0.316 4.785 4.470 -0.000 0.000 0.217 455 S C -0.090 174.489 174.600 -0.034 0.000 0.999 455 S CA -0.142 58.082 58.200 0.040 0.000 0.914 455 S CB 0.147 63.457 63.200 0.182 0.000 0.782 455 S HN 0.561 nan 8.310 nan 0.000 0.520 456 F N 1.188 120.851 119.950 -0.478 0.000 2.607 456 F HA 0.533 5.060 4.527 -0.000 0.000 0.322 456 F C -2.196 173.223 175.800 -0.634 0.000 1.176 456 F CA -1.788 55.993 58.000 -0.364 0.000 0.977 456 F CB 0.845 39.870 39.000 0.042 0.000 1.242 456 F HN -0.098 nan 8.300 nan 0.000 0.465 457 F N 5.454 124.817 119.950 -0.978 0.000 2.403 457 F HA 0.760 5.287 4.527 -0.000 0.000 0.355 457 F C 0.607 175.559 175.800 -1.415 0.000 1.119 457 F CA -0.254 57.043 58.000 -1.173 0.000 1.007 457 F CB 1.537 39.967 39.000 -0.950 0.000 1.194 457 F HN 0.851 nan 8.300 nan 0.000 0.443 458 G N 1.783 109.944 108.800 -1.066 0.000 2.320 458 G HA2 0.123 4.083 3.960 -0.000 0.000 0.274 458 G HA3 0.123 4.083 3.960 -0.000 0.000 0.274 458 G C -0.203 174.684 174.900 -0.021 0.000 1.324 458 G CA -0.144 44.744 45.100 -0.354 0.000 0.957 458 G HN 0.389 nan 8.290 nan 0.000 0.481 459 T N -0.246 114.467 114.554 0.265 0.000 3.151 459 T HA 0.368 4.718 4.350 -0.000 0.000 0.239 459 T C 0.983 175.812 174.700 0.216 0.000 0.979 459 T CA 0.400 62.668 62.100 0.281 0.000 1.194 459 T CB -0.041 68.952 68.868 0.208 0.000 0.982 459 T HN 0.366 nan 8.240 nan 0.000 0.428 460 L N 2.626 123.975 121.223 0.210 0.000 2.289 460 L HA 0.414 4.753 4.340 -0.000 0.000 0.285 460 L C 0.452 177.256 176.870 -0.111 0.000 1.049 460 L CA -0.938 53.914 54.840 0.019 0.000 0.804 460 L CB 0.934 43.086 42.059 0.155 0.000 1.195 460 L HN 0.344 nan 8.230 nan 0.000 0.428 461 H N 1.451 120.419 119.070 -0.170 0.000 2.344 461 H HA 0.447 5.003 4.556 -0.000 0.000 0.333 461 H C -0.018 175.181 175.328 -0.214 0.000 1.607 461 H CA -0.469 55.381 56.048 -0.330 0.000 1.455 461 H CB 0.916 30.418 29.762 -0.432 0.000 1.716 461 H HN 0.660 nan 8.280 nan 0.000 0.646 462 A N -0.052 122.737 122.820 -0.052 0.000 2.279 462 A HA 0.389 4.709 4.320 -0.000 0.000 0.303 462 A C 0.126 177.595 177.584 -0.191 0.000 1.108 462 A CA -0.264 51.685 52.037 -0.146 0.000 0.830 462 A CB -0.047 18.847 19.000 -0.177 0.000 1.106 462 A HN 0.968 nan 8.150 nan 0.000 0.493 463 N N -1.111 117.513 118.700 -0.127 0.000 6.584 463 N HA -0.007 4.733 4.740 -0.000 0.000 0.411 463 N C 0.496 176.049 175.510 0.071 0.000 0.981 463 N CA 0.811 53.820 53.050 -0.068 0.000 1.762 463 N CB -0.715 37.577 38.487 -0.324 0.000 0.760 463 N HN 2.394 nan 8.380 nan 0.000 0.447 464 G N -0.178 108.697 108.800 0.126 0.000 2.633 464 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.263 464 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.263 464 G C 0.250 175.374 174.900 0.374 0.000 1.310 464 G CA 0.759 45.952 45.100 0.154 0.000 0.914 464 G HN 0.721 nan 8.290 nan 0.000 0.569 465 K N -0.046 120.506 120.400 0.254 0.000 2.366 465 K HA 0.025 4.345 4.320 -0.000 0.000 0.198 465 K C 1.851 178.538 176.600 0.145 0.000 1.044 465 K CA 1.074 57.483 56.287 0.204 0.000 0.973 465 K CB -0.062 32.524 32.500 0.143 0.000 0.767 465 K HN 0.420 nan 8.250 nan 0.000 0.475 466 D N 0.808 121.282 120.400 0.123 0.000 2.123 466 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 466 D C 2.029 178.386 176.300 0.095 0.000 0.992 466 D CA 1.646 55.702 54.000 0.094 0.000 0.833 466 D CB -0.150 40.689 40.800 0.066 0.000 0.954 466 D HN 0.186 nan 8.370 nan 0.000 0.455 467 S N -0.446 115.304 115.700 0.083 0.000 2.423 467 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 467 S C 2.121 176.785 174.600 0.107 0.000 1.014 467 S CA 0.659 58.872 58.200 0.021 0.000 0.965 467 S CB -0.412 62.834 63.200 0.076 0.000 0.785 467 S HN 0.085 nan 8.310 nan 0.000 0.495 468 V N 2.438 122.440 119.914 0.147 0.000 2.307 468 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 468 V C 2.268 178.456 176.094 0.157 0.000 1.045 468 V CA 2.268 64.659 62.300 0.152 0.000 1.024 468 V CB -0.948 30.933 31.823 0.097 0.000 0.651 468 V HN 0.422 nan 8.190 nan 0.000 0.449 469 D N -0.720 119.762 120.400 0.137 0.000 2.183 469 D HA -0.102 4.537 4.640 -0.000 0.000 0.203 469 D C 1.754 178.137 176.300 0.140 0.000 0.969 469 D CA 0.764 54.841 54.000 0.129 0.000 0.842 469 D CB -0.209 40.660 40.800 0.115 0.000 0.957 469 D HN 0.428 nan 8.370 nan 0.000 0.484 470 F N 0.002 119.950 119.950 -0.003 0.000 2.186 470 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 470 F C 1.088 176.918 175.800 0.051 0.000 1.090 470 F CA 1.202 59.177 58.000 -0.042 0.000 1.307 470 F CB -0.215 38.663 39.000 -0.203 0.000 1.019 470 F HN 0.038 nan 8.300 nan 0.000 0.489 471 Y N -0.230 120.130 120.300 0.100 0.000 2.537 471 Y HA 0.226 4.776 4.550 -0.000 0.000 0.303 471 Y C 0.402 176.328 175.900 0.043 0.000 1.176 471 Y CA -0.282 57.841 58.100 0.038 0.000 1.273 471 Y CB 0.071 38.656 38.460 0.209 0.000 1.110 471 Y HN -0.110 nan 8.280 nan 0.000 0.518 472 T N 0.301 114.947 114.554 0.152 0.000 2.853 472 T HA 0.550 4.899 4.350 -0.000 0.000 0.311 472 T C -1.388 173.376 174.700 0.107 0.000 1.307 472 T CA -0.910 61.279 62.100 0.148 0.000 1.019 472 T CB 1.375 70.338 68.868 0.159 0.000 1.264 472 T HN 0.391 nan 8.240 nan 0.000 0.497 473 R N 1.293 121.877 120.500 0.141 0.000 2.888 473 R HA 0.850 5.190 4.340 -0.000 0.000 0.266 473 R C -1.275 175.137 176.300 0.188 0.000 1.020 473 R CA -1.005 55.170 56.100 0.124 0.000 0.963 473 R CB 1.216 31.569 30.300 0.088 0.000 1.197 473 R HN 0.403 nan 8.270 nan 0.000 0.481 474 K N 0.910 121.404 120.400 0.156 0.000 2.208 474 K HA 0.474 4.794 4.320 -0.000 0.000 0.247 474 K C -0.930 175.782 176.600 0.187 0.000 0.953 474 K CA -1.063 55.343 56.287 0.198 0.000 0.837 474 K CB 2.043 34.624 32.500 0.135 0.000 1.131 474 K HN 0.417 nan 8.250 nan 0.000 0.431 475 K N 1.457 122.018 120.400 0.269 0.000 2.471 475 K HA 0.336 4.656 4.320 -0.000 0.000 0.252 475 K C -1.502 175.252 176.600 0.256 0.000 0.938 475 K CA -0.709 55.700 56.287 0.203 0.000 0.796 475 K CB 2.454 35.042 32.500 0.148 0.000 1.161 475 K HN 0.263 nan 8.250 nan 0.000 0.425 476 V N 3.579 123.589 119.914 0.160 0.000 2.547 476 V HA 0.514 4.633 4.120 -0.000 0.000 0.299 476 V C -1.043 175.136 176.094 0.141 0.000 1.040 476 V CA -0.554 61.834 62.300 0.145 0.000 0.913 476 V CB 1.793 33.662 31.823 0.076 0.000 0.992 476 V HN 0.460 nan 8.190 nan 0.000 0.449 477 V N 5.284 125.297 119.914 0.165 0.000 2.443 477 V HA 0.461 4.581 4.120 -0.000 0.000 0.293 477 V C -0.072 176.069 176.094 0.078 0.000 1.021 477 V CA -0.384 61.995 62.300 0.132 0.000 0.848 477 V CB 1.952 33.896 31.823 0.202 0.000 0.998 477 V HN 0.962 nan 8.190 nan 0.000 0.424 478 T N 4.727 119.295 114.554 0.024 0.000 2.756 478 T HA 0.735 5.085 4.350 -0.000 0.000 0.290 478 T C 0.016 174.668 174.700 -0.081 0.000 0.985 478 T CA -0.224 61.865 62.100 -0.018 0.000 0.955 478 T CB 1.348 70.204 68.868 -0.021 0.000 0.930 478 T HN 0.889 nan 8.240 nan 0.000 0.451 479 A N 3.565 126.293 122.820 -0.153 0.000 2.365 479 A HA 0.813 5.132 4.320 -0.000 0.000 0.318 479 A C -0.246 177.012 177.584 -0.542 0.000 1.091 479 A CA -0.958 50.837 52.037 -0.403 0.000 0.763 479 A CB 1.229 19.902 19.000 -0.545 0.000 1.248 479 A HN 0.758 nan 8.150 nan 0.000 0.442 480 R N 1.917 122.057 120.500 -0.600 0.000 2.288 480 R HA 0.537 4.877 4.340 -0.000 0.000 0.326 480 R C -1.990 174.054 176.300 -0.426 0.000 0.959 480 R CA -0.240 55.624 56.100 -0.393 0.000 0.834 480 R CB 0.549 30.738 30.300 -0.185 0.000 1.157 480 R HN 0.747 nan 8.270 nan 0.000 0.470 481 Y N 5.262 125.565 120.300 0.005 0.000 2.749 481 Y HA 0.319 4.869 4.550 -0.000 0.000 0.343 481 Y C -1.920 173.977 175.900 -0.005 0.000 1.015 481 Y CA -2.540 55.560 58.100 0.001 0.000 1.270 481 Y CB 1.379 39.844 38.460 0.009 0.000 1.097 481 Y HN 0.532 nan 8.280 nan 0.000 0.571 482 P HA 0.002 nan 4.420 nan 0.000 0.266 482 P C -0.163 177.155 177.300 0.029 0.000 1.195 482 P CA -0.042 63.084 63.100 0.044 0.000 0.768 482 P CB 0.763 32.471 31.700 0.013 0.000 0.838 483 A N 5.400 128.228 122.820 0.014 0.000 2.524 483 A HA 0.274 4.594 4.320 -0.000 0.000 0.250 483 A C -1.393 176.116 177.584 -0.125 0.000 1.078 483 A CA -0.773 51.258 52.037 -0.009 0.000 0.761 483 A CB -1.179 17.836 19.000 0.025 0.000 1.012 483 A HN 0.470 nan 8.150 nan 0.000 0.500 484 P HA 0.066 nan 4.420 nan 0.000 0.270 484 P C -0.702 176.163 177.300 -0.725 0.000 1.227 484 P CA -0.264 62.566 63.100 -0.450 0.000 0.788 484 P CB 0.550 31.955 31.700 -0.493 0.000 0.926 485 D N 0.564 120.629 120.400 -0.559 0.000 2.277 485 D HA 0.324 4.964 4.640 -0.000 0.000 0.249 485 D C -0.300 175.706 176.300 -0.489 0.000 1.134 485 D CA 0.026 53.778 54.000 -0.413 0.000 0.863 485 D CB 0.258 40.947 40.800 -0.185 0.000 1.143 485 D HN 0.179 nan 8.370 nan 0.000 0.458 486 F N 0.000 119.953 119.950 0.006 0.000 2.286 486 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 486 F CA 0.000 58.002 58.000 0.004 0.000 1.383 486 F CB 0.000 39.002 39.000 0.003 0.000 1.145 486 F HN 0.000 nan 8.300 nan 0.000 0.574