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 2q08_1_K DATA FIRST_RESID 1 DATA SEQUENCE MSINSREVLA EKVKNAVNNQ PVTDMHTHLF SPNFGEILLW DIDELLTYHY DATA SEQUENCE LVAEVMRWTD VSIEAFWAMS KREQADLIWE ELFIKRSPVS EACRGVLTCL DATA SEQUENCE QGLGLDPATR DLQVYREYFA KKTSEEQVDT VLQLANVSDV VMTNDPFDDN DATA SEQUENCE ERISWLEGKQ PDSRFHAALR LDPLLNEYEQ TKHRLRDWGY KVNDEWNEGS DATA SEQUENCE IQEVKRFLTD WIERMDPVYM AVSLPPTFSF PEESNRGRII RDCLLPVAEK DATA SEQUENCE HNIPFAMMIG VKKRVHPALG DAGDFVGKAS MDGVEHLLRE YPNNKFLVTM DATA SEQUENCE LSRENQHELV VLARKFSNLM IFGCWWFMNN PEIINEMTRM RMEMLGTSFI DATA SEQUENCE PQHSDARVLE QLIYKWHHSK SIIAEVLIDK YDDILQAGWE VTEEEIKRDV DATA SEQUENCE ADLFSRNFWR FVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.277 176.300 -0.038 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 S N 1.019 116.694 115.700 -0.042 0.000 2.584 2 S HA 0.714 5.183 4.470 -0.001 0.000 0.273 2 S C 0.345 174.924 174.600 -0.035 0.000 1.311 2 S CA -0.730 57.441 58.200 -0.049 0.000 1.034 2 S CB 1.459 64.626 63.200 -0.055 0.000 0.939 2 S HN 0.573 nan 8.310 nan 0.000 0.513 3 I N 3.746 124.295 120.570 -0.035 0.000 2.421 3 I HA 0.010 4.179 4.170 -0.001 0.000 0.291 3 I C 1.595 177.706 176.117 -0.009 0.000 1.089 3 I CA -0.496 60.789 61.300 -0.026 0.000 1.354 3 I CB 0.091 38.068 38.000 -0.039 0.000 1.413 3 I HN 0.799 nan 8.210 nan 0.000 0.513 4 N N 4.813 123.510 118.700 -0.006 0.000 2.244 4 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 4 N C 0.435 175.952 175.510 0.012 0.000 1.016 4 N CA 0.624 53.674 53.050 0.001 0.000 0.866 4 N CB 0.037 38.523 38.487 -0.001 0.000 0.980 4 N HN 0.621 nan 8.380 nan 0.000 0.430 5 S N -1.683 114.025 115.700 0.015 0.000 2.638 5 S HA 0.421 4.890 4.470 -0.001 0.000 0.274 5 S C 0.494 175.112 174.600 0.031 0.000 1.157 5 S CA -1.017 57.197 58.200 0.023 0.000 0.826 5 S CB 2.848 66.059 63.200 0.019 0.000 1.139 5 S HN 0.107 nan 8.310 nan 0.000 0.474 6 R N 0.336 120.859 120.500 0.039 0.000 2.092 6 R HA -0.069 4.270 4.340 -0.001 0.000 0.231 6 R C 1.371 177.697 176.300 0.043 0.000 1.119 6 R CA 1.889 58.018 56.100 0.049 0.000 0.970 6 R CB -0.413 29.917 30.300 0.051 0.000 0.864 6 R HN 0.805 nan 8.270 nan 0.000 0.440 7 E N -0.278 119.941 120.200 0.033 0.000 2.077 7 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 7 E C 1.909 178.525 176.600 0.026 0.000 0.989 7 E CA 1.416 57.834 56.400 0.029 0.000 0.800 7 E CB -0.108 29.606 29.700 0.024 0.000 0.746 7 E HN 0.086 nan 8.360 nan 0.000 0.452 8 V N 0.790 120.717 119.914 0.020 0.000 2.427 8 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 8 V C 2.177 178.278 176.094 0.012 0.000 1.051 8 V CA 1.348 63.656 62.300 0.013 0.000 1.048 8 V CB -0.386 31.440 31.823 0.006 0.000 0.666 8 V HN 0.230 nan 8.190 nan 0.000 0.456 9 L N 1.066 122.300 121.223 0.018 0.000 2.012 9 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 9 L C 2.456 179.351 176.870 0.041 0.000 1.073 9 L CA 2.538 57.389 54.840 0.018 0.000 0.748 9 L CB -0.950 41.135 42.059 0.044 0.000 0.891 9 L HN 0.217 nan 8.230 nan 0.000 0.431 10 A N -0.635 122.217 122.820 0.053 0.000 1.865 10 A HA -0.280 4.039 4.320 -0.001 0.000 0.217 10 A C 2.261 179.873 177.584 0.047 0.000 1.191 10 A CA 1.874 53.947 52.037 0.061 0.000 0.623 10 A CB -0.920 18.112 19.000 0.053 0.000 0.826 10 A HN 0.584 nan 8.150 nan 0.000 0.444 11 E N 0.214 120.434 120.200 0.033 0.000 2.058 11 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 11 E C 1.943 178.555 176.600 0.021 0.000 0.997 11 E CA 1.803 58.218 56.400 0.024 0.000 0.801 11 E CB -0.134 29.576 29.700 0.018 0.000 0.746 11 E HN 0.410 nan 8.360 nan 0.000 0.450 12 K N -0.007 120.400 120.400 0.013 0.000 2.057 12 K HA -0.056 4.263 4.320 -0.001 0.000 0.207 12 K C 2.274 178.884 176.600 0.016 0.000 1.049 12 K CA 1.200 57.488 56.287 0.002 0.000 0.931 12 K CB -0.798 31.688 32.500 -0.023 0.000 0.714 12 K HN 0.146 nan 8.250 nan 0.000 0.440 13 V N 1.821 121.759 119.914 0.041 0.000 2.270 13 V HA -0.234 3.885 4.120 -0.001 0.000 0.245 13 V C 2.312 178.456 176.094 0.083 0.000 1.043 13 V CA 1.721 64.076 62.300 0.091 0.000 1.014 13 V CB -0.407 31.512 31.823 0.160 0.000 0.645 13 V HN 0.323 nan 8.190 nan 0.000 0.447 14 K N 0.265 120.703 120.400 0.063 0.000 2.063 14 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 14 K C 1.976 178.588 176.600 0.020 0.000 1.048 14 K CA 2.029 58.341 56.287 0.043 0.000 0.928 14 K CB -0.381 32.139 32.500 0.033 0.000 0.713 14 K HN 0.586 nan 8.250 nan 0.000 0.442 15 N N 0.408 119.118 118.700 0.017 0.000 2.084 15 N HA -0.174 4.566 4.740 -0.001 0.000 0.190 15 N C 1.949 177.458 175.510 -0.002 0.000 1.030 15 N CA 0.895 53.947 53.050 0.004 0.000 0.849 15 N CB -0.160 38.330 38.487 0.004 0.000 1.012 15 N HN 0.183 nan 8.380 nan 0.000 0.423 16 A N 1.012 123.841 122.820 0.014 0.000 1.883 16 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 16 A C 2.452 180.038 177.584 0.003 0.000 1.186 16 A CA 1.289 53.338 52.037 0.019 0.000 0.624 16 A CB -0.879 18.150 19.000 0.048 0.000 0.822 16 A HN 0.110 nan 8.150 nan 0.000 0.444 17 V N 0.995 120.920 119.914 0.019 0.000 2.343 17 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 17 V C 2.277 178.262 176.094 -0.182 0.000 1.051 17 V CA 2.159 64.428 62.300 -0.051 0.000 1.036 17 V CB -0.934 30.920 31.823 0.051 0.000 0.654 17 V HN 0.564 nan 8.190 nan 0.000 0.451 18 N N 0.725 119.364 118.700 -0.100 0.000 2.188 18 N HA -0.105 4.634 4.740 -0.001 0.000 0.184 18 N C 1.543 176.986 175.510 -0.111 0.000 1.018 18 N CA 1.172 54.159 53.050 -0.105 0.000 0.858 18 N CB -0.452 38.005 38.487 -0.050 0.000 0.989 18 N HN 0.489 nan 8.380 nan 0.000 0.426 19 N N 0.796 119.445 118.700 -0.086 0.000 2.446 19 N HA -0.072 4.668 4.740 -0.001 0.000 0.179 19 N C 0.418 175.870 175.510 -0.097 0.000 1.054 19 N CA 0.193 53.198 53.050 -0.074 0.000 0.905 19 N CB -0.077 38.385 38.487 -0.041 0.000 0.973 19 N HN 0.299 nan 8.380 nan 0.000 0.448 20 Q N 2.379 122.098 119.800 -0.134 0.000 2.286 20 Q HA 0.190 4.530 4.340 -0.001 0.000 0.267 20 Q C -2.602 173.281 176.000 -0.194 0.000 1.028 20 Q CA -1.560 54.163 55.803 -0.133 0.000 0.901 20 Q CB 0.765 29.434 28.738 -0.115 0.000 1.183 20 Q HN -0.001 nan 8.270 nan 0.000 0.392 21 P HA -0.001 nan 4.420 nan 0.000 0.267 21 P C -1.121 176.069 177.300 -0.184 0.000 1.205 21 P CA -0.060 62.951 63.100 -0.148 0.000 0.765 21 P CB 0.786 32.438 31.700 -0.081 0.000 0.828 22 V N 4.251 123.971 119.914 -0.323 0.000 2.509 22 V HA 0.256 4.376 4.120 -0.001 0.000 0.284 22 V C 0.599 176.499 176.094 -0.324 0.000 1.047 22 V CA 0.050 62.087 62.300 -0.440 0.000 0.952 22 V CB 1.484 32.703 31.823 -1.006 0.000 0.988 22 V HN 0.448 nan 8.190 nan 0.000 0.469 23 T N 3.302 117.733 114.554 -0.205 0.000 2.770 23 T HA 0.182 4.531 4.350 -0.001 0.000 0.297 23 T C -0.322 174.230 174.700 -0.247 0.000 0.997 23 T CA -0.197 61.825 62.100 -0.129 0.000 0.949 23 T CB 0.378 69.263 68.868 0.028 0.000 0.941 23 T HN 0.702 nan 8.240 nan 0.000 0.457 24 D N 4.532 124.812 120.400 -0.200 0.000 2.422 24 D HA 0.134 4.773 4.640 -0.001 0.000 0.227 24 D C 1.188 177.380 176.300 -0.180 0.000 1.190 24 D CA -0.648 53.365 54.000 0.022 0.000 0.905 24 D CB 0.822 41.726 40.800 0.174 0.000 1.034 24 D HN 0.417 nan 8.370 nan 0.000 0.507 25 M N 2.145 121.509 119.600 -0.394 0.000 2.722 25 M HA 0.158 4.637 4.480 -0.001 0.000 0.238 25 M C -0.312 175.765 176.300 -0.371 0.000 1.098 25 M CA 0.488 55.304 55.300 -0.806 0.000 1.062 25 M CB -0.405 31.098 32.600 -1.828 0.000 1.573 25 M HN 0.226 nan 8.290 nan 0.000 0.531 26 H N -0.109 118.816 119.070 -0.242 0.000 3.278 26 H HA 0.557 5.113 4.556 -0.001 0.000 0.326 26 H C -1.232 174.069 175.328 -0.045 0.000 1.113 26 H CA -0.248 55.691 56.048 -0.182 0.000 1.553 26 H CB 0.756 30.306 29.762 -0.353 0.000 1.997 26 H HN 0.378 nan 8.280 nan 0.000 0.456 27 T N 0.953 115.135 114.554 -0.619 0.000 2.778 27 T HA 0.324 4.673 4.350 -0.001 0.000 0.293 27 T C -0.510 173.765 174.700 -0.709 0.000 1.144 27 T CA -0.840 60.960 62.100 -0.501 0.000 1.010 27 T CB 1.694 70.432 68.868 -0.216 0.000 1.325 27 T HN 0.656 nan 8.240 nan 0.000 0.515 28 H N 0.480 119.370 119.070 -0.300 0.000 2.505 28 H HA 0.453 5.009 4.556 -0.001 0.000 0.260 28 H C -0.291 174.791 175.328 -0.410 0.000 1.168 28 H CA -0.155 55.706 56.048 -0.312 0.000 0.945 28 H CB 0.077 29.770 29.762 -0.115 0.000 1.800 28 H HN 0.333 nan 8.280 nan 0.000 0.586 29 L N 0.091 121.100 121.223 -0.357 0.000 2.365 29 L HA 0.453 4.793 4.340 -0.001 0.000 0.267 29 L C -0.579 175.982 176.870 -0.514 0.000 1.033 29 L CA -0.742 53.965 54.840 -0.222 0.000 0.802 29 L CB 1.116 43.202 42.059 0.045 0.000 1.267 29 L HN -0.067 nan 8.230 nan 0.000 0.457 30 F N -1.008 118.956 119.950 0.024 0.000 2.588 30 F HA 0.279 4.805 4.527 -0.001 0.000 0.310 30 F C 0.434 175.825 175.800 -0.682 0.000 1.082 30 F CA -0.661 57.182 58.000 -0.262 0.000 0.929 30 F CB 1.987 40.870 39.000 -0.196 0.000 1.254 30 F HN 0.267 nan 8.300 nan 0.000 0.455 31 S N 3.902 119.006 115.700 -0.992 0.000 2.558 31 S HA 0.059 4.529 4.470 -0.001 0.000 0.293 31 S C -1.167 173.099 174.600 -0.557 0.000 1.292 31 S CA -0.965 56.410 58.200 -1.376 0.000 1.063 31 S CB 0.616 63.306 63.200 -0.851 0.000 0.831 31 S HN 0.475 nan 8.310 nan 0.000 0.499 32 P HA -0.164 nan 4.420 nan 0.000 0.218 32 P C 0.810 178.085 177.300 -0.042 0.000 1.146 32 P CA 1.091 64.096 63.100 -0.158 0.000 0.813 32 P CB -0.248 31.362 31.700 -0.150 0.000 0.778 33 N N -0.742 117.944 118.700 -0.023 0.000 2.521 33 N HA -0.103 4.637 4.740 -0.001 0.000 0.188 33 N C 1.058 176.601 175.510 0.054 0.000 1.146 33 N CA 0.411 53.470 53.050 0.015 0.000 0.893 33 N CB -1.139 37.345 38.487 -0.005 0.000 0.975 33 N HN 0.093 nan 8.380 nan 0.000 0.451 34 F N 0.828 120.661 119.950 -0.193 0.000 2.811 34 F HA 0.298 4.824 4.527 -0.001 0.000 0.301 34 F C 1.954 177.651 175.800 -0.173 0.000 1.151 34 F CA 0.371 58.239 58.000 -0.220 0.000 1.412 34 F CB -0.306 38.543 39.000 -0.253 0.000 1.113 34 F HN 0.322 nan 8.300 nan 0.000 0.579 35 G N 0.103 108.932 108.800 0.048 0.000 2.482 35 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.214 35 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.214 35 G C 0.748 175.688 174.900 0.067 0.000 1.271 35 G CA -0.130 44.985 45.100 0.025 0.000 0.944 35 G HN 0.046 nan 8.290 nan 0.000 0.568 36 E N 0.489 120.718 120.200 0.048 0.000 2.333 36 E HA -0.126 4.224 4.350 -0.001 0.000 0.198 36 E C 2.591 179.240 176.600 0.081 0.000 1.007 36 E CA 1.426 57.868 56.400 0.070 0.000 0.845 36 E CB -0.268 29.453 29.700 0.034 0.000 0.766 36 E HN 0.791 nan 8.360 nan 0.000 0.507 37 I N -1.015 119.571 120.570 0.027 0.000 2.700 37 I HA -0.109 4.060 4.170 -0.001 0.000 0.261 37 I C 1.114 177.386 176.117 0.258 0.000 1.219 37 I CA 0.177 61.489 61.300 0.019 0.000 1.463 37 I CB -0.403 37.379 38.000 -0.364 0.000 1.092 37 I HN -0.071 nan 8.210 nan 0.000 0.452 38 L N 3.618 125.007 121.223 0.276 0.000 2.342 38 L HA 0.409 4.748 4.340 -0.001 0.000 0.285 38 L C -0.360 176.733 176.870 0.372 0.000 1.095 38 L CA -0.150 54.909 54.840 0.366 0.000 0.843 38 L CB 0.284 42.505 42.059 0.271 0.000 1.201 38 L HN 0.107 nan 8.230 nan 0.000 0.445 39 L N 6.622 128.038 121.223 0.321 0.000 2.326 39 L HA 0.538 4.878 4.340 -0.001 0.000 0.278 39 L C -0.540 176.534 176.870 0.340 0.000 1.092 39 L CA -0.463 54.524 54.840 0.245 0.000 0.810 39 L CB 0.753 42.907 42.059 0.160 0.000 1.153 39 L HN 0.728 nan 8.230 nan 0.000 0.439 40 W N 2.680 123.996 121.300 0.026 0.000 3.275 40 W HA 0.640 5.299 4.660 -0.001 0.000 0.306 40 W C -1.574 174.892 176.519 -0.087 0.000 1.259 40 W CA -0.750 56.598 57.345 0.004 0.000 1.194 40 W CB 1.430 30.938 29.460 0.080 0.000 1.375 40 W HN 0.612 nan 8.180 nan 0.000 0.564 41 D N 1.152 121.426 120.400 -0.210 0.000 4.105 41 D HA -0.149 4.490 4.640 -0.001 0.000 0.287 41 D C -0.590 175.231 176.300 -0.798 0.000 1.101 41 D CA -0.148 53.379 54.000 -0.789 0.000 1.066 41 D CB 0.593 41.018 40.800 -0.624 0.000 3.158 41 D HN 0.372 nan 8.370 nan 0.000 0.574 42 I N 1.831 121.712 120.570 -1.149 0.000 2.546 42 I HA -0.074 4.095 4.170 -0.001 0.000 0.255 42 I C 1.564 177.514 176.117 -0.278 0.000 1.163 42 I CA 1.599 62.577 61.300 -0.537 0.000 1.457 42 I CB -0.074 37.757 38.000 -0.282 0.000 1.092 42 I HN 0.317 nan 8.210 nan 0.000 0.434 43 D N 0.559 120.790 120.400 -0.282 0.000 2.183 43 D HA -0.131 4.508 4.640 -0.001 0.000 0.203 43 D C 1.959 178.211 176.300 -0.080 0.000 0.969 43 D CA 0.866 54.778 54.000 -0.146 0.000 0.842 43 D CB -0.037 40.677 40.800 -0.144 0.000 0.957 43 D HN 0.423 nan 8.370 nan 0.000 0.484 44 E N 0.633 120.757 120.200 -0.128 0.000 2.107 44 E HA -0.048 4.301 4.350 -0.001 0.000 0.191 44 E C 2.529 179.138 176.600 0.016 0.000 0.982 44 E CA 0.120 56.496 56.400 -0.039 0.000 0.809 44 E CB -0.172 29.486 29.700 -0.070 0.000 0.756 44 E HN 0.347 nan 8.360 nan 0.000 0.459 45 L N 0.428 121.630 121.223 -0.036 0.000 2.017 45 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 45 L C 2.569 179.515 176.870 0.127 0.000 1.073 45 L CA 0.955 55.801 54.840 0.011 0.000 0.745 45 L CB -0.406 41.647 42.059 -0.011 0.000 0.894 45 L HN 0.110 nan 8.230 nan 0.000 0.432 46 L N -0.574 120.716 121.223 0.112 0.000 2.275 46 L HA -0.129 4.211 4.340 -0.001 0.000 0.215 46 L C 2.183 179.208 176.870 0.258 0.000 1.119 46 L CA 1.457 56.416 54.840 0.199 0.000 0.790 46 L CB -0.559 41.585 42.059 0.142 0.000 0.919 46 L HN 0.439 nan 8.230 nan 0.000 0.443 47 T N -4.605 110.090 114.554 0.236 0.000 3.163 47 T HA 0.000 4.350 4.350 -0.001 0.000 0.252 47 T C 0.414 175.334 174.700 0.367 0.000 1.056 47 T CA -0.436 61.847 62.100 0.305 0.000 0.947 47 T CB -0.414 68.608 68.868 0.256 0.000 1.016 47 T HN 0.053 nan 8.240 nan 0.000 0.554 48 Y N 4.192 124.595 120.300 0.170 0.000 2.805 48 Y HA 0.058 4.607 4.550 -0.001 0.000 0.337 48 Y C 1.578 177.601 175.900 0.206 0.000 1.252 48 Y CA -0.573 57.603 58.100 0.126 0.000 1.515 48 Y CB 0.428 38.898 38.460 0.016 0.000 1.305 48 Y HN 0.535 nan 8.280 nan 0.000 0.600 49 H N 2.532 121.681 119.070 0.131 0.000 2.489 49 H HA -0.172 4.384 4.556 -0.001 0.000 0.293 49 H C 1.060 176.426 175.328 0.063 0.000 1.066 49 H CA 2.049 58.165 56.048 0.115 0.000 1.305 49 H CB -0.646 29.204 29.762 0.146 0.000 1.386 49 H HN 0.670 nan 8.280 nan 0.000 0.551 50 Y N 0.937 120.717 120.300 -0.866 0.000 2.181 50 Y HA -0.099 4.450 4.550 -0.001 0.000 0.288 50 Y C 2.382 178.218 175.900 -0.107 0.000 1.146 50 Y CA 1.088 58.906 58.100 -0.470 0.000 1.164 50 Y CB -0.365 37.731 38.460 -0.606 0.000 0.982 50 Y HN 0.271 nan 8.280 nan 0.000 0.515 51 L N -1.680 119.630 121.223 0.145 0.000 2.240 51 L HA -0.110 4.230 4.340 -0.001 0.000 0.211 51 L C 2.175 179.099 176.870 0.090 0.000 1.106 51 L CA 0.253 55.196 54.840 0.173 0.000 0.793 51 L CB -0.577 41.643 42.059 0.268 0.000 0.927 51 L HN 0.037 nan 8.230 nan 0.000 0.446 52 V N 0.447 120.401 119.914 0.066 0.000 2.295 52 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 52 V C 2.829 178.827 176.094 -0.159 0.000 1.049 52 V CA 1.880 64.103 62.300 -0.129 0.000 1.024 52 V CB -0.829 30.972 31.823 -0.036 0.000 0.648 52 V HN 0.474 nan 8.190 nan 0.000 0.447 53 A N -0.333 122.475 122.820 -0.021 0.000 1.883 53 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 53 A C 2.178 179.732 177.584 -0.049 0.000 1.186 53 A CA 2.179 54.200 52.037 -0.026 0.000 0.624 53 A CB -0.552 18.480 19.000 0.053 0.000 0.822 53 A HN 0.636 nan 8.150 nan 0.000 0.444 54 E N -0.918 119.281 120.200 -0.002 0.000 2.072 54 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 54 E C 1.957 178.585 176.600 0.047 0.000 0.985 54 E CA 1.093 57.505 56.400 0.020 0.000 0.801 54 E CB -0.267 29.474 29.700 0.068 0.000 0.750 54 E HN 0.383 nan 8.360 nan 0.000 0.452 55 V N 0.995 120.920 119.914 0.018 0.000 2.515 55 V HA -0.207 3.913 4.120 -0.001 0.000 0.250 55 V C 1.892 177.972 176.094 -0.024 0.000 1.058 55 V CA 1.257 63.580 62.300 0.038 0.000 1.064 55 V CB -0.138 31.670 31.823 -0.027 0.000 0.675 55 V HN 0.296 nan 8.190 nan 0.000 0.461 56 M N -0.631 118.880 119.600 -0.148 0.000 2.460 56 M HA -0.054 4.425 4.480 -0.001 0.000 0.263 56 M C 2.078 178.319 176.300 -0.098 0.000 1.071 56 M CA 1.325 56.529 55.300 -0.159 0.000 1.096 56 M CB -1.312 31.154 32.600 -0.223 0.000 1.408 56 M HN 0.334 nan 8.290 nan 0.000 0.463 57 R N -2.056 118.376 120.500 -0.113 0.000 2.236 57 R HA -0.097 4.242 4.340 -0.001 0.000 0.208 57 R C 1.648 177.784 176.300 -0.273 0.000 1.036 57 R CA 0.947 56.908 56.100 -0.231 0.000 1.001 57 R CB 0.089 30.180 30.300 -0.347 0.000 0.896 57 R HN 0.441 nan 8.270 nan 0.000 0.464 58 W N -0.549 120.714 121.300 -0.062 0.000 2.922 58 W HA 0.121 4.781 4.660 -0.001 0.000 0.260 58 W C 1.172 177.668 176.519 -0.038 0.000 1.088 58 W CA -0.251 57.066 57.345 -0.047 0.000 1.694 58 W CB -0.200 29.233 29.460 -0.045 0.000 1.064 58 W HN -0.222 nan 8.180 nan 0.000 0.611 59 T N 1.053 115.737 114.554 0.216 0.000 2.903 59 T HA -0.052 4.297 4.350 -0.001 0.000 0.314 59 T C 0.654 175.398 174.700 0.075 0.000 1.078 59 T CA 0.323 62.494 62.100 0.119 0.000 1.114 59 T CB 0.577 69.490 68.868 0.075 0.000 0.987 59 T HN -0.005 nan 8.240 nan 0.000 0.548 60 D N 2.047 122.487 120.400 0.067 0.000 2.360 60 D HA 0.099 4.738 4.640 -0.001 0.000 0.210 60 D C 0.442 176.768 176.300 0.042 0.000 1.047 60 D CA 0.203 54.232 54.000 0.049 0.000 0.854 60 D CB 0.279 41.108 40.800 0.048 0.000 0.936 60 D HN 0.285 nan 8.370 nan 0.000 0.514 61 V N 2.548 122.492 119.914 0.050 0.000 2.585 61 V HA -0.028 4.091 4.120 -0.001 0.000 0.296 61 V C 1.085 177.204 176.094 0.042 0.000 1.035 61 V CA -0.307 62.028 62.300 0.058 0.000 1.084 61 V CB 0.911 32.790 31.823 0.093 0.000 0.953 61 V HN 0.169 nan 8.190 nan 0.000 0.483 62 S N 4.949 120.677 115.700 0.048 0.000 2.579 62 S HA 0.127 4.597 4.470 -0.001 0.000 0.275 62 S C 1.022 175.644 174.600 0.037 0.000 1.345 62 S CA -0.250 57.975 58.200 0.042 0.000 1.031 62 S CB 0.660 63.894 63.200 0.057 0.000 0.892 62 S HN 0.637 nan 8.310 nan 0.000 0.529 63 I N 1.294 121.872 120.570 0.013 0.000 2.361 63 I HA -0.064 4.105 4.170 -0.001 0.000 0.251 63 I C 1.974 178.125 176.117 0.057 0.000 1.133 63 I CA 1.619 62.888 61.300 -0.051 0.000 1.413 63 I CB -0.790 37.201 38.000 -0.015 0.000 1.073 63 I HN 0.813 nan 8.210 nan 0.000 0.424 64 E N 0.959 121.248 120.200 0.149 0.000 2.051 64 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 64 E C 2.307 179.014 176.600 0.178 0.000 0.991 64 E CA 1.644 58.172 56.400 0.213 0.000 0.799 64 E CB -0.766 29.027 29.700 0.155 0.000 0.748 64 E HN 0.572 nan 8.360 nan 0.000 0.449 65 A N 0.290 123.181 122.820 0.118 0.000 1.933 65 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 65 A C 2.122 179.752 177.584 0.077 0.000 1.175 65 A CA 1.352 53.444 52.037 0.091 0.000 0.628 65 A CB -0.846 18.198 19.000 0.074 0.000 0.814 65 A HN 0.326 nan 8.150 nan 0.000 0.444 66 F N -0.785 119.112 119.950 -0.089 0.000 2.069 66 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 66 F C 2.044 177.785 175.800 -0.099 0.000 1.113 66 F CA 1.811 59.698 58.000 -0.189 0.000 1.214 66 F CB -0.541 38.197 39.000 -0.436 0.000 0.978 66 F HN 0.419 nan 8.300 nan 0.000 0.474 67 W N -0.172 121.194 121.300 0.109 0.000 2.421 67 W HA -0.061 4.598 4.660 -0.001 0.000 0.270 67 W C 2.407 178.892 176.519 -0.057 0.000 1.233 67 W CA 0.566 57.921 57.345 0.016 0.000 1.226 67 W CB -0.440 29.087 29.460 0.111 0.000 1.121 67 W HN 0.106 nan 8.180 nan 0.000 0.579 68 A N -0.198 122.722 122.820 0.167 0.000 2.016 68 A HA 0.033 4.353 4.320 -0.001 0.000 0.217 68 A C 1.207 178.797 177.584 0.010 0.000 1.162 68 A CA 0.402 52.491 52.037 0.087 0.000 0.662 68 A CB -0.478 18.568 19.000 0.077 0.000 0.812 68 A HN 0.086 nan 8.150 nan 0.000 0.450 69 M N 0.896 120.454 119.600 -0.070 0.000 2.207 69 M HA 0.187 4.667 4.480 -0.001 0.000 0.311 69 M C 0.888 177.125 176.300 -0.104 0.000 1.127 69 M CA -0.113 55.122 55.300 -0.110 0.000 1.181 69 M CB 0.569 33.050 32.600 -0.198 0.000 1.409 69 M HN 0.389 nan 8.290 nan 0.000 0.461 70 S N 0.288 115.940 115.700 -0.079 0.000 2.614 70 S HA 0.181 4.651 4.470 -0.001 0.000 0.265 70 S C 0.756 175.307 174.600 -0.082 0.000 1.303 70 S CA -0.764 57.401 58.200 -0.059 0.000 1.000 70 S CB 1.220 64.395 63.200 -0.042 0.000 0.935 70 S HN 0.811 nan 8.310 nan 0.000 0.551 71 K N 0.688 121.057 120.400 -0.052 0.000 2.103 71 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 71 K C 2.402 178.972 176.600 -0.049 0.000 1.048 71 K CA 1.328 57.590 56.287 -0.043 0.000 0.930 71 K CB -0.181 32.305 32.500 -0.022 0.000 0.716 71 K HN 0.703 nan 8.250 nan 0.000 0.444 72 R N 0.687 121.155 120.500 -0.053 0.000 2.081 72 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 72 R C 1.812 178.088 176.300 -0.040 0.000 1.131 72 R CA 1.879 57.949 56.100 -0.051 0.000 0.960 72 R CB 0.004 30.273 30.300 -0.052 0.000 0.856 72 R HN 0.335 nan 8.270 nan 0.000 0.436 73 E N 0.003 120.174 120.200 -0.049 0.000 2.106 73 E HA -0.215 4.134 4.350 -0.001 0.000 0.192 73 E C 2.162 178.739 176.600 -0.037 0.000 0.984 73 E CA 1.190 57.566 56.400 -0.040 0.000 0.806 73 E CB 0.015 29.681 29.700 -0.056 0.000 0.750 73 E HN 0.483 nan 8.360 nan 0.000 0.458 74 Q N 0.489 120.224 119.800 -0.109 0.000 2.050 74 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 74 Q C 2.315 178.391 176.000 0.126 0.000 0.980 74 Q CA 1.354 57.090 55.803 -0.111 0.000 0.840 74 Q CB -0.220 28.301 28.738 -0.361 0.000 0.898 74 Q HN 0.234 nan 8.270 nan 0.000 0.424 75 A N 1.617 124.486 122.820 0.080 0.000 1.908 75 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 75 A C 1.679 179.345 177.584 0.137 0.000 1.181 75 A CA 1.815 53.917 52.037 0.109 0.000 0.627 75 A CB -0.477 18.535 19.000 0.020 0.000 0.818 75 A HN 0.260 nan 8.150 nan 0.000 0.445 76 D N -0.473 119.979 120.400 0.087 0.000 2.117 76 D HA -0.131 4.508 4.640 -0.001 0.000 0.197 76 D C 1.878 178.293 176.300 0.191 0.000 0.987 76 D CA 1.397 55.464 54.000 0.112 0.000 0.829 76 D CB -0.359 40.473 40.800 0.054 0.000 0.961 76 D HN 0.371 nan 8.370 nan 0.000 0.460 77 L N 1.014 122.342 121.223 0.175 0.000 2.017 77 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 77 L C 2.241 179.250 176.870 0.232 0.000 1.073 77 L CA 1.317 56.273 54.840 0.193 0.000 0.745 77 L CB -0.522 41.667 42.059 0.217 0.000 0.894 77 L HN -0.040 nan 8.230 nan 0.000 0.432 78 I N -1.515 119.226 120.570 0.284 0.000 2.208 78 I HA -0.356 3.813 4.170 -0.001 0.000 0.245 78 I C 2.407 178.758 176.117 0.390 0.000 1.097 78 I CA 1.778 63.263 61.300 0.309 0.000 1.363 78 I CB -0.598 37.603 38.000 0.336 0.000 1.051 78 I HN 0.587 nan 8.210 nan 0.000 0.413 79 W N 2.159 123.548 121.300 0.148 0.000 2.355 79 W HA -0.277 4.383 4.660 -0.001 0.000 0.309 79 W C 2.423 179.052 176.519 0.184 0.000 1.206 79 W CA 2.105 59.499 57.345 0.082 0.000 1.284 79 W CB -0.095 29.313 29.460 -0.086 0.000 1.145 79 W HN 0.165 nan 8.180 nan 0.000 0.502 80 E N 0.697 121.047 120.200 0.249 0.000 2.047 80 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 80 E C 1.992 178.593 176.600 0.001 0.000 0.987 80 E CA 1.952 58.412 56.400 0.100 0.000 0.799 80 E CB -0.469 29.308 29.700 0.128 0.000 0.752 80 E HN 0.100 nan 8.360 nan 0.000 0.449 81 E N -0.084 120.139 120.200 0.038 0.000 2.072 81 E HA -0.077 4.272 4.350 -0.001 0.000 0.190 81 E C 2.146 178.650 176.600 -0.161 0.000 0.982 81 E CA 0.926 57.294 56.400 -0.053 0.000 0.803 81 E CB -0.060 29.664 29.700 0.040 0.000 0.755 81 E HN 0.382 nan 8.360 nan 0.000 0.453 82 L N -1.281 119.923 121.223 -0.032 0.000 2.513 82 L HA 0.159 4.498 4.340 -0.001 0.000 0.222 82 L C 1.676 178.291 176.870 -0.425 0.000 1.096 82 L CA 0.171 54.905 54.840 -0.176 0.000 0.857 82 L CB 0.024 42.031 42.059 -0.087 0.000 1.026 82 L HN 0.008 nan 8.230 nan 0.000 0.469 83 F N -1.209 118.510 119.950 -0.384 0.000 2.592 83 F HA 0.162 4.688 4.527 -0.001 0.000 0.280 83 F C 2.039 177.547 175.800 -0.487 0.000 1.083 83 F CA -0.030 57.638 58.000 -0.553 0.000 1.365 83 F CB 0.388 38.715 39.000 -1.122 0.000 1.100 83 F HN -0.176 nan 8.300 nan 0.000 0.633 84 I N 0.371 120.792 120.570 -0.249 0.000 2.512 84 I HA -0.044 4.126 4.170 -0.001 0.000 0.247 84 I C 1.830 177.844 176.117 -0.171 0.000 1.094 84 I CA 1.161 62.352 61.300 -0.183 0.000 1.427 84 I CB -1.128 36.802 38.000 -0.115 0.000 1.149 84 I HN 0.060 nan 8.210 nan 0.000 0.438 85 K N 0.756 121.032 120.400 -0.205 0.000 2.288 85 K HA -0.020 4.300 4.320 -0.001 0.000 0.201 85 K C 0.040 176.433 176.600 -0.345 0.000 1.048 85 K CA 0.631 56.765 56.287 -0.255 0.000 0.956 85 K CB 0.180 32.507 32.500 -0.289 0.000 0.746 85 K HN 0.195 nan 8.250 nan 0.000 0.461 86 R N -0.543 119.737 120.500 -0.368 0.000 2.668 86 R HA 0.222 4.561 4.340 -0.001 0.000 0.272 86 R C -1.123 175.013 176.300 -0.273 0.000 1.019 86 R CA -0.413 55.475 56.100 -0.353 0.000 0.894 86 R CB 1.885 31.880 30.300 -0.508 0.000 1.228 86 R HN -0.149 nan 8.270 nan 0.000 0.460 87 S N 3.828 119.408 115.700 -0.200 0.000 2.549 87 S HA 0.111 4.581 4.470 -0.001 0.000 0.286 87 S C -1.843 172.607 174.600 -0.250 0.000 1.314 87 S CA -0.504 57.584 58.200 -0.186 0.000 1.062 87 S CB 0.435 63.563 63.200 -0.120 0.000 0.865 87 S HN 0.453 nan 8.310 nan 0.000 0.498 88 P HA 0.085 nan 4.420 nan 0.000 0.225 88 P C 0.800 177.922 177.300 -0.297 0.000 1.768 88 P CA -0.121 62.662 63.100 -0.529 0.000 0.943 88 P CB -0.508 30.677 31.700 -0.858 0.000 1.936 89 V N -0.963 118.838 119.914 -0.189 0.000 3.306 89 V HA -0.011 4.109 4.120 -0.001 0.000 0.264 89 V C 1.198 177.243 176.094 -0.080 0.000 1.149 89 V CA 0.542 62.777 62.300 -0.109 0.000 1.143 89 V CB -1.405 30.376 31.823 -0.069 0.000 0.767 89 V HN 0.366 nan 8.190 nan 0.000 0.476 90 S N 0.514 116.162 115.700 -0.087 0.000 2.589 90 S HA 0.116 4.586 4.470 -0.001 0.000 0.265 90 S C 1.097 175.689 174.600 -0.013 0.000 1.342 90 S CA 0.604 58.786 58.200 -0.030 0.000 1.005 90 S CB 1.279 64.473 63.200 -0.011 0.000 0.909 90 S HN 0.508 nan 8.310 nan 0.000 0.555 91 E N 1.867 122.096 120.200 0.049 0.000 2.077 91 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 91 E C 2.069 178.717 176.600 0.080 0.000 0.989 91 E CA 1.947 58.405 56.400 0.097 0.000 0.800 91 E CB -0.986 28.820 29.700 0.177 0.000 0.746 91 E HN 0.811 nan 8.360 nan 0.000 0.452 92 A N -0.215 122.684 122.820 0.131 0.000 1.933 92 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 92 A C 2.588 180.179 177.584 0.012 0.000 1.175 92 A CA 1.490 53.609 52.037 0.136 0.000 0.628 92 A CB -0.960 18.223 19.000 0.306 0.000 0.814 92 A HN 0.505 nan 8.150 nan 0.000 0.444 93 C N -1.182 118.104 119.300 -0.023 0.000 2.466 93 C HA -0.013 4.446 4.460 -0.001 0.000 0.278 93 C C 2.790 177.758 174.990 -0.037 0.000 1.288 93 C CA 0.986 59.945 59.018 -0.098 0.000 1.722 93 C CB -1.165 26.245 27.740 -0.550 0.000 2.017 93 C HN 0.723 nan 8.230 nan 0.000 0.488 94 R N 1.184 121.636 120.500 -0.080 0.000 2.103 94 R HA -0.132 4.208 4.340 -0.001 0.000 0.242 94 R C 2.219 178.498 176.300 -0.035 0.000 1.142 94 R CA 2.109 58.194 56.100 -0.026 0.000 0.960 94 R CB -0.781 29.503 30.300 -0.027 0.000 0.858 94 R HN 0.558 nan 8.270 nan 0.000 0.439 95 G N 0.337 108.945 108.800 -0.320 0.000 2.440 95 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 95 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 95 G C 1.463 176.042 174.900 -0.534 0.000 1.154 95 G CA 0.920 45.328 45.100 -1.153 0.000 0.767 95 G HN 0.241 nan 8.290 nan 0.000 0.552 96 V N 1.129 120.934 119.914 -0.181 0.000 2.287 96 V HA -0.173 3.946 4.120 -0.001 0.000 0.248 96 V C 2.937 179.072 176.094 0.069 0.000 1.053 96 V CA 1.641 63.976 62.300 0.059 0.000 1.027 96 V CB -0.485 31.499 31.823 0.269 0.000 0.646 96 V HN 0.368 nan 8.190 nan 0.000 0.447 97 L N -0.455 120.840 121.223 0.120 0.000 2.046 97 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 97 L C 2.629 179.508 176.870 0.014 0.000 1.077 97 L CA 2.000 56.894 54.840 0.089 0.000 0.747 97 L CB -1.218 40.917 42.059 0.128 0.000 0.896 97 L HN 0.332 nan 8.230 nan 0.000 0.432 98 T N -0.864 113.698 114.554 0.014 0.000 2.759 98 T HA -0.194 4.155 4.350 -0.001 0.000 0.269 98 T C 2.075 176.760 174.700 -0.025 0.000 1.042 98 T CA 1.546 63.637 62.100 -0.015 0.000 1.140 98 T CB -0.364 68.535 68.868 0.051 0.000 0.864 98 T HN 0.393 nan 8.240 nan 0.000 0.455 99 C N 0.897 120.209 119.300 0.020 0.000 2.432 99 C HA 0.048 4.508 4.460 -0.001 0.000 0.277 99 C C 2.692 177.667 174.990 -0.026 0.000 1.249 99 C CA 0.299 59.340 59.018 0.040 0.000 1.725 99 C CB -1.409 26.391 27.740 0.100 0.000 2.028 99 C HN 0.515 nan 8.230 nan 0.000 0.477 100 L N 0.440 121.619 121.223 -0.073 0.000 1.989 100 L HA -0.275 4.065 4.340 -0.001 0.000 0.211 100 L C 2.830 179.588 176.870 -0.187 0.000 1.071 100 L CA 2.009 56.730 54.840 -0.198 0.000 0.749 100 L CB -0.936 40.912 42.059 -0.352 0.000 0.890 100 L HN 0.482 nan 8.230 nan 0.000 0.431 101 Q N -0.002 119.726 119.800 -0.121 0.000 2.096 101 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 101 Q C 2.126 178.078 176.000 -0.080 0.000 0.982 101 Q CA 1.877 57.628 55.803 -0.086 0.000 0.850 101 Q CB -0.298 28.407 28.738 -0.055 0.000 0.901 101 Q HN 0.554 nan 8.270 nan 0.000 0.422 102 G N 0.807 109.565 108.800 -0.070 0.000 2.432 102 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 102 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 102 G C 1.258 176.120 174.900 -0.064 0.000 1.135 102 G CA 0.568 45.642 45.100 -0.044 0.000 0.767 102 G HN 0.342 nan 8.290 nan 0.000 0.550 103 L N 0.211 121.355 121.223 -0.133 0.000 2.599 103 L HA 0.244 4.583 4.340 -0.001 0.000 0.230 103 L C 2.099 178.813 176.870 -0.260 0.000 1.141 103 L CA 0.501 55.199 54.840 -0.238 0.000 0.877 103 L CB 0.054 41.826 42.059 -0.478 0.000 1.009 103 L HN 0.395 nan 8.230 nan 0.000 0.447 104 G N -0.159 108.543 108.800 -0.165 0.000 2.175 104 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.244 104 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.244 104 G C 0.241 175.072 174.900 -0.114 0.000 0.982 104 G CA -0.288 44.748 45.100 -0.106 0.000 0.641 104 G HN 0.186 nan 8.290 nan 0.000 0.527 105 L N 0.480 121.586 121.223 -0.196 0.000 2.439 105 L HA 0.584 4.924 4.340 -0.001 0.000 0.261 105 L C 0.146 176.980 176.870 -0.060 0.000 1.153 105 L CA -0.570 54.192 54.840 -0.129 0.000 0.808 105 L CB 0.851 42.749 42.059 -0.268 0.000 1.126 105 L HN 0.136 nan 8.230 nan 0.000 0.460 106 D N 0.948 121.398 120.400 0.083 0.000 2.441 106 D HA 0.287 4.927 4.640 -0.001 0.000 0.231 106 D C -1.936 174.484 176.300 0.200 0.000 1.073 106 D CA -1.944 52.121 54.000 0.108 0.000 0.850 106 D CB 1.723 42.593 40.800 0.117 0.000 1.062 106 D HN 0.081 nan 8.370 nan 0.000 0.524 107 P HA -0.063 nan 4.420 nan 0.000 0.222 107 P C 1.024 178.474 177.300 0.250 0.000 1.147 107 P CA 0.809 64.024 63.100 0.192 0.000 0.790 107 P CB 0.261 32.024 31.700 0.104 0.000 0.780 108 A N -0.179 122.743 122.820 0.171 0.000 1.978 108 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 108 A C 2.205 179.882 177.584 0.155 0.000 1.170 108 A CA 2.460 54.579 52.037 0.137 0.000 0.636 108 A CB -1.852 17.204 19.000 0.094 0.000 0.810 108 A HN 0.362 nan 8.150 nan 0.000 0.448 109 T N -4.332 110.336 114.554 0.189 0.000 3.043 109 T HA 0.036 4.385 4.350 -0.001 0.000 0.263 109 T C 0.968 175.767 174.700 0.166 0.000 1.094 109 T CA 0.622 62.806 62.100 0.140 0.000 1.127 109 T CB -0.312 68.609 68.868 0.087 0.000 0.905 109 T HN 0.585 nan 8.240 nan 0.000 0.490 110 R N 0.960 121.662 120.500 0.336 0.000 3.863 110 R HA -0.127 4.213 4.340 -0.001 0.000 0.313 110 R C -0.728 175.649 176.300 0.129 0.000 1.202 110 R CA 0.855 57.249 56.100 0.490 0.000 0.852 110 R CB -2.234 28.315 30.300 0.415 0.000 1.292 110 R HN 0.454 nan 8.270 nan 0.000 0.519 111 D N 1.167 121.380 120.400 -0.311 0.000 2.517 111 D HA 0.052 4.691 4.640 -0.001 0.000 0.220 111 D C 1.083 176.658 176.300 -1.208 0.000 1.158 111 D CA -0.149 53.497 54.000 -0.589 0.000 0.992 111 D CB 0.637 41.179 40.800 -0.430 0.000 1.058 111 D HN 0.064 nan 8.370 nan 0.000 0.516 112 L N 3.426 124.120 121.223 -0.882 0.000 2.127 112 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 112 L C 2.011 178.595 176.870 -0.476 0.000 1.089 112 L CA 1.709 56.069 54.840 -0.800 0.000 0.757 112 L CB -0.173 41.370 42.059 -0.859 0.000 0.899 112 L HN 0.324 nan 8.230 nan 0.000 0.434 113 Q N -0.844 118.732 119.800 -0.373 0.000 2.050 113 Q HA -0.122 4.218 4.340 -0.001 0.000 0.202 113 Q C 2.371 178.273 176.000 -0.164 0.000 0.980 113 Q CA 1.837 57.516 55.803 -0.207 0.000 0.840 113 Q CB -0.725 27.919 28.738 -0.156 0.000 0.898 113 Q HN 0.453 nan 8.270 nan 0.000 0.424 114 V N 0.623 120.386 119.914 -0.251 0.000 2.407 114 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 114 V C 2.050 178.150 176.094 0.010 0.000 1.055 114 V CA 1.561 63.779 62.300 -0.135 0.000 1.049 114 V CB -0.784 30.938 31.823 -0.169 0.000 0.662 114 V HN 0.248 nan 8.190 nan 0.000 0.455 115 Y N 0.811 121.105 120.300 -0.010 0.000 2.181 115 Y HA -0.169 4.381 4.550 -0.001 0.000 0.288 115 Y C 2.632 178.676 175.900 0.240 0.000 1.146 115 Y CA 1.041 59.177 58.100 0.060 0.000 1.164 115 Y CB -1.020 37.437 38.460 -0.005 0.000 0.982 115 Y HN 0.169 nan 8.280 nan 0.000 0.515 116 R N 0.311 120.985 120.500 0.291 0.000 2.096 116 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 116 R C 2.073 178.540 176.300 0.278 0.000 1.127 116 R CA 1.587 57.863 56.100 0.292 0.000 0.968 116 R CB -0.304 30.041 30.300 0.075 0.000 0.861 116 R HN 0.482 nan 8.270 nan 0.000 0.440 117 E N -0.473 119.825 120.200 0.162 0.000 2.160 117 E HA -0.259 4.090 4.350 -0.001 0.000 0.195 117 E C 1.582 178.247 176.600 0.108 0.000 0.991 117 E CA 1.260 57.723 56.400 0.105 0.000 0.810 117 E CB -0.199 29.534 29.700 0.056 0.000 0.742 117 E HN 0.408 nan 8.360 nan 0.000 0.466 118 Y N 0.569 120.863 120.300 -0.010 0.000 2.128 118 Y HA -0.293 4.256 4.550 -0.001 0.000 0.284 118 Y C 1.760 177.556 175.900 -0.173 0.000 1.154 118 Y CA 1.771 59.769 58.100 -0.170 0.000 1.149 118 Y CB -0.306 37.920 38.460 -0.390 0.000 0.976 118 Y HN -0.059 nan 8.280 nan 0.000 0.505 119 F N 0.023 120.112 119.950 0.231 0.000 2.206 119 F HA -0.025 4.502 4.527 -0.001 0.000 0.298 119 F C 2.608 178.458 175.800 0.084 0.000 1.090 119 F CA 0.921 59.045 58.000 0.207 0.000 1.323 119 F CB -1.152 37.970 39.000 0.202 0.000 1.028 119 F HN 0.136 nan 8.300 nan 0.000 0.492 120 A N 0.792 123.728 122.820 0.193 0.000 2.024 120 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 120 A C 1.737 179.360 177.584 0.064 0.000 1.164 120 A CA 1.610 53.703 52.037 0.093 0.000 0.643 120 A CB -0.857 18.179 19.000 0.059 0.000 0.806 120 A HN 0.516 nan 8.150 nan 0.000 0.451 121 K N -0.283 120.126 120.400 0.015 0.000 2.675 121 K HA 0.366 4.685 4.320 -0.001 0.000 0.213 121 K C -0.563 176.018 176.600 -0.033 0.000 1.074 121 K CA -0.218 56.058 56.287 -0.019 0.000 1.172 121 K CB 0.231 32.695 32.500 -0.059 0.000 0.927 121 K HN 0.245 nan 8.250 nan 0.000 0.471 122 K N 0.828 121.268 120.400 0.066 0.000 2.512 122 K HA 0.241 4.560 4.320 -0.001 0.000 0.263 122 K C -0.627 176.095 176.600 0.203 0.000 0.966 122 K CA -0.840 55.483 56.287 0.060 0.000 0.851 122 K CB 2.105 34.587 32.500 -0.029 0.000 1.395 122 K HN 0.215 nan 8.250 nan 0.000 0.440 123 T N -2.276 112.310 114.554 0.053 0.000 2.936 123 T HA 0.212 4.561 4.350 -0.001 0.000 0.282 123 T C 1.038 175.636 174.700 -0.171 0.000 1.003 123 T CA -0.648 61.494 62.100 0.071 0.000 1.005 123 T CB 1.514 70.392 68.868 0.017 0.000 1.097 123 T HN 0.359 nan 8.240 nan 0.000 0.532 124 S N 0.700 116.340 115.700 -0.100 0.000 2.359 124 S HA -0.126 4.343 4.470 -0.001 0.000 0.224 124 S C 1.925 176.303 174.600 -0.370 0.000 1.035 124 S CA 1.611 59.562 58.200 -0.416 0.000 1.018 124 S CB -0.558 62.616 63.200 -0.044 0.000 0.876 124 S HN 0.844 nan 8.310 nan 0.000 0.448 125 E N 1.365 121.457 120.200 -0.180 0.000 2.118 125 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 125 E C 2.063 178.579 176.600 -0.140 0.000 0.992 125 E CA 1.206 57.529 56.400 -0.129 0.000 0.804 125 E CB -0.244 29.413 29.700 -0.072 0.000 0.741 125 E HN 0.607 nan 8.360 nan 0.000 0.458 126 E N 0.041 120.144 120.200 -0.161 0.000 2.047 126 E HA -0.221 4.128 4.350 -0.001 0.000 0.191 126 E C 2.110 178.604 176.600 -0.175 0.000 0.987 126 E CA 1.067 57.383 56.400 -0.139 0.000 0.799 126 E CB -0.071 29.555 29.700 -0.122 0.000 0.752 126 E HN 0.086 nan 8.360 nan 0.000 0.449 127 Q N 0.983 120.587 119.800 -0.327 0.000 2.124 127 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 127 Q C 2.080 177.962 176.000 -0.197 0.000 0.977 127 Q CA 1.156 56.767 55.803 -0.320 0.000 0.850 127 Q CB -0.154 28.131 28.738 -0.755 0.000 0.901 127 Q HN 0.099 nan 8.270 nan 0.000 0.429 128 V N 1.113 120.898 119.914 -0.215 0.000 2.295 128 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 128 V C 1.714 177.797 176.094 -0.017 0.000 1.049 128 V CA 2.162 64.423 62.300 -0.065 0.000 1.024 128 V CB -0.623 31.198 31.823 -0.005 0.000 0.648 128 V HN 0.428 nan 8.190 nan 0.000 0.447 129 D N -0.228 120.150 120.400 -0.036 0.000 2.117 129 D HA -0.138 4.501 4.640 -0.001 0.000 0.197 129 D C 2.257 178.549 176.300 -0.015 0.000 0.987 129 D CA 1.919 55.908 54.000 -0.018 0.000 0.829 129 D CB -0.421 40.364 40.800 -0.026 0.000 0.961 129 D HN 0.408 nan 8.370 nan 0.000 0.460 130 T N 0.946 115.489 114.554 -0.017 0.000 2.674 130 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 130 T C 2.316 177.029 174.700 0.022 0.000 1.039 130 T CA 0.991 63.098 62.100 0.011 0.000 1.150 130 T CB -0.448 68.443 68.868 0.038 0.000 0.864 130 T HN -0.041 nan 8.240 nan 0.000 0.427 131 V N 1.652 121.582 119.914 0.027 0.000 2.295 131 V HA -0.116 4.003 4.120 -0.001 0.000 0.246 131 V C 2.544 178.647 176.094 0.016 0.000 1.049 131 V CA 1.502 63.826 62.300 0.040 0.000 1.024 131 V CB -0.737 31.120 31.823 0.057 0.000 0.648 131 V HN 0.443 nan 8.190 nan 0.000 0.447 132 L N -0.147 121.074 121.223 -0.004 0.000 2.127 132 L HA -0.205 4.134 4.340 -0.001 0.000 0.211 132 L C 2.675 179.520 176.870 -0.042 0.000 1.089 132 L CA 1.480 56.297 54.840 -0.038 0.000 0.757 132 L CB -0.616 41.410 42.059 -0.054 0.000 0.899 132 L HN 0.420 nan 8.230 nan 0.000 0.434 133 Q N 0.779 120.566 119.800 -0.022 0.000 2.020 133 Q HA -0.143 4.196 4.340 -0.001 0.000 0.198 133 Q C 2.312 178.304 176.000 -0.013 0.000 0.974 133 Q CA 1.521 57.311 55.803 -0.021 0.000 0.829 133 Q CB -0.121 28.611 28.738 -0.010 0.000 0.894 133 Q HN 0.514 nan 8.270 nan 0.000 0.433 134 L N 0.241 121.467 121.223 0.005 0.000 2.083 134 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 134 L C 2.276 179.162 176.870 0.027 0.000 1.083 134 L CA 1.166 56.018 54.840 0.020 0.000 0.752 134 L CB -0.464 41.614 42.059 0.032 0.000 0.899 134 L HN 0.145 nan 8.230 nan 0.000 0.433 135 A N -1.095 121.737 122.820 0.019 0.000 2.251 135 A HA -0.040 4.279 4.320 -0.001 0.000 0.209 135 A C 0.953 178.496 177.584 -0.068 0.000 1.187 135 A CA 0.197 52.252 52.037 0.030 0.000 0.823 135 A CB -0.320 18.722 19.000 0.071 0.000 0.846 135 A HN 0.535 nan 8.150 nan 0.000 0.486 136 N N -0.733 117.917 118.700 -0.083 0.000 2.725 136 N HA -0.142 4.597 4.740 -0.001 0.000 0.251 136 N C -0.890 174.485 175.510 -0.224 0.000 1.031 136 N CA 0.941 53.911 53.050 -0.133 0.000 0.720 136 N CB -1.636 36.770 38.487 -0.135 0.000 0.930 136 N HN 0.163 nan 8.380 nan 0.000 0.543 137 V N 1.219 121.004 119.914 -0.215 0.000 2.370 137 V HA 0.313 4.433 4.120 -0.001 0.000 0.283 137 V C 1.435 177.416 176.094 -0.188 0.000 1.023 137 V CA 0.183 62.313 62.300 -0.283 0.000 0.857 137 V CB 1.496 33.151 31.823 -0.281 0.000 0.985 137 V HN 0.510 nan 8.190 nan 0.000 0.443 138 S N 2.423 118.028 115.700 -0.158 0.000 2.470 138 S HA 0.169 4.639 4.470 -0.001 0.000 0.222 138 S C 0.194 174.761 174.600 -0.054 0.000 1.024 138 S CA 0.010 58.157 58.200 -0.088 0.000 0.931 138 S CB 0.114 63.285 63.200 -0.049 0.000 0.791 138 S HN 0.742 nan 8.310 nan 0.000 0.513 139 D N 0.151 120.525 120.400 -0.042 0.000 2.964 139 D HA 0.610 5.249 4.640 -0.001 0.000 0.234 139 D C -1.726 174.535 176.300 -0.065 0.000 1.223 139 D CA -0.461 53.576 54.000 0.061 0.000 0.889 139 D CB 2.453 43.449 40.800 0.325 0.000 1.609 139 D HN 0.040 nan 8.370 nan 0.000 0.523 140 V N 2.310 122.130 119.914 -0.156 0.000 2.448 140 V HA 0.421 4.541 4.120 -0.001 0.000 0.295 140 V C -0.310 175.756 176.094 -0.047 0.000 1.025 140 V CA -0.773 61.389 62.300 -0.230 0.000 0.859 140 V CB 1.863 33.349 31.823 -0.562 0.000 0.988 140 V HN 0.363 nan 8.190 nan 0.000 0.431 141 V N 6.559 126.424 119.914 -0.083 0.000 2.383 141 V HA 0.429 4.549 4.120 -0.001 0.000 0.275 141 V C 0.339 176.365 176.094 -0.114 0.000 1.036 141 V CA -0.281 61.984 62.300 -0.057 0.000 0.889 141 V CB 1.307 33.021 31.823 -0.181 0.000 0.985 141 V HN 0.825 nan 8.190 nan 0.000 0.459 142 M N 2.785 122.342 119.600 -0.071 0.000 2.245 142 M HA 0.413 4.892 4.480 -0.001 0.000 0.292 142 M C 0.109 176.291 176.300 -0.196 0.000 1.176 142 M CA -0.174 55.017 55.300 -0.183 0.000 1.035 142 M CB 0.866 33.397 32.600 -0.114 0.000 1.440 142 M HN 0.444 nan 8.290 nan 0.000 0.494 143 T N 1.874 116.272 114.554 -0.260 0.000 2.893 143 T HA 0.340 4.689 4.350 -0.001 0.000 0.324 143 T C -0.662 174.100 174.700 0.104 0.000 1.082 143 T CA -0.808 61.231 62.100 -0.101 0.000 0.983 143 T CB -0.102 68.645 68.868 -0.203 0.000 1.005 143 T HN 0.450 nan 8.240 nan 0.000 0.475 144 N N 3.269 122.050 118.700 0.136 0.000 2.469 144 N HA 0.207 4.947 4.740 -0.001 0.000 0.253 144 N C -1.125 174.436 175.510 0.085 0.000 0.970 144 N CA -0.553 52.646 53.050 0.249 0.000 0.940 144 N CB 1.862 40.481 38.487 0.221 0.000 1.128 144 N HN 0.524 nan 8.380 nan 0.000 0.503 145 D N 2.923 123.421 120.400 0.164 0.000 2.443 145 D HA 0.211 4.850 4.640 -0.001 0.000 0.221 145 D C -1.480 174.760 176.300 -0.100 0.000 1.097 145 D CA -2.191 51.863 54.000 0.089 0.000 0.865 145 D CB 1.454 42.395 40.800 0.236 0.000 1.034 145 D HN 0.247 nan 8.370 nan 0.000 0.511 146 P HA -0.072 nan 4.420 nan 0.000 0.234 146 P C 0.729 177.654 177.300 -0.625 0.000 1.167 146 P CA 0.462 62.934 63.100 -1.047 0.000 0.763 146 P CB -0.014 30.337 31.700 -2.248 0.000 0.835 147 F N 0.075 120.022 119.950 -0.006 0.000 2.776 147 F HA 0.161 4.687 4.527 -0.001 0.000 0.300 147 F C 0.918 176.842 175.800 0.207 0.000 1.116 147 F CA -0.123 58.013 58.000 0.227 0.000 1.375 147 F CB -0.379 38.750 39.000 0.215 0.000 1.109 147 F HN -0.112 nan 8.300 nan 0.000 0.585 148 D N 0.145 120.695 120.400 0.249 0.000 2.347 148 D HA 0.053 4.692 4.640 -0.001 0.000 0.235 148 D C 0.947 177.349 176.300 0.170 0.000 1.149 148 D CA -0.042 54.084 54.000 0.210 0.000 0.850 148 D CB 0.570 41.479 40.800 0.182 0.000 1.061 148 D HN -0.053 nan 8.370 nan 0.000 0.487 149 D N 2.978 123.492 120.400 0.190 0.000 2.149 149 D HA -0.246 4.393 4.640 -0.001 0.000 0.194 149 D C 1.456 177.820 176.300 0.107 0.000 1.001 149 D CA 0.791 54.891 54.000 0.167 0.000 0.849 149 D CB 0.041 40.939 40.800 0.164 0.000 0.939 149 D HN 0.512 nan 8.370 nan 0.000 0.449 150 N N 1.322 120.071 118.700 0.081 0.000 2.006 150 N HA -0.185 4.554 4.740 -0.001 0.000 0.196 150 N C 1.601 177.120 175.510 0.014 0.000 1.057 150 N CA 1.376 54.444 53.050 0.031 0.000 0.853 150 N CB -0.042 38.453 38.487 0.012 0.000 1.051 150 N HN 0.284 nan 8.380 nan 0.000 0.423 151 E N 0.467 120.688 120.200 0.036 0.000 2.085 151 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 151 E C 2.255 178.980 176.600 0.209 0.000 0.994 151 E CA 0.768 57.221 56.400 0.090 0.000 0.801 151 E CB -0.213 29.604 29.700 0.195 0.000 0.743 151 E HN 0.365 nan 8.360 nan 0.000 0.453 152 R N 0.966 121.578 120.500 0.187 0.000 2.113 152 R HA -0.214 4.125 4.340 -0.001 0.000 0.244 152 R C 2.337 178.769 176.300 0.221 0.000 1.142 152 R CA 1.593 57.826 56.100 0.222 0.000 0.953 152 R CB -0.319 30.039 30.300 0.097 0.000 0.860 152 R HN 0.185 nan 8.270 nan 0.000 0.438 153 I N 0.494 121.117 120.570 0.089 0.000 2.127 153 I HA -0.346 3.824 4.170 -0.001 0.000 0.241 153 I C 2.547 178.623 176.117 -0.067 0.000 1.075 153 I CA 1.837 63.146 61.300 0.015 0.000 1.334 153 I CB -0.542 37.446 38.000 -0.021 0.000 1.040 153 I HN 0.363 nan 8.210 nan 0.000 0.405 154 S N -0.001 115.572 115.700 -0.212 0.000 2.383 154 S HA -0.233 4.236 4.470 -0.001 0.000 0.229 154 S C 1.725 176.059 174.600 -0.442 0.000 1.030 154 S CA 1.038 58.942 58.200 -0.493 0.000 1.002 154 S CB -1.053 61.544 63.200 -1.006 0.000 0.829 154 S HN 0.544 nan 8.310 nan 0.000 0.467 155 W N 1.542 122.781 121.300 -0.102 0.000 2.388 155 W HA 0.243 4.902 4.660 -0.001 0.000 0.294 155 W C 2.263 178.758 176.519 -0.039 0.000 1.212 155 W CA 0.162 57.525 57.345 0.030 0.000 1.271 155 W CB -0.340 29.308 29.460 0.313 0.000 1.126 155 W HN 0.243 nan 8.180 nan 0.000 0.535 156 L N -0.013 121.312 121.223 0.170 0.000 2.141 156 L HA -0.137 4.202 4.340 -0.001 0.000 0.209 156 L C 1.640 178.494 176.870 -0.027 0.000 1.094 156 L CA 1.187 56.040 54.840 0.022 0.000 0.763 156 L CB -0.660 41.406 42.059 0.013 0.000 0.908 156 L HN 0.015 nan 8.230 nan 0.000 0.437 157 E N 0.132 120.298 120.200 -0.057 0.000 2.485 157 E HA 0.008 4.358 4.350 -0.001 0.000 0.194 157 E C 1.389 177.932 176.600 -0.095 0.000 1.098 157 E CA 0.423 56.770 56.400 -0.089 0.000 0.878 157 E CB 0.002 29.625 29.700 -0.129 0.000 0.939 157 E HN 0.538 nan 8.360 nan 0.000 0.503 158 G N 2.240 111.002 108.800 -0.063 0.000 2.175 158 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.265 158 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.265 158 G C 0.116 174.962 174.900 -0.090 0.000 0.979 158 G CA 0.300 45.375 45.100 -0.043 0.000 0.663 158 G HN 0.240 nan 8.290 nan 0.000 0.533 159 K N 0.598 120.870 120.400 -0.213 0.000 2.484 159 K HA 0.261 4.580 4.320 -0.001 0.000 0.280 159 K C 0.327 176.759 176.600 -0.279 0.000 1.013 159 K CA 0.326 56.425 56.287 -0.315 0.000 1.029 159 K CB 0.373 32.519 32.500 -0.590 0.000 0.902 159 K HN 0.177 nan 8.250 nan 0.000 0.481 160 Q N 3.390 123.121 119.800 -0.115 0.000 2.312 160 Q HA 0.347 4.686 4.340 -0.001 0.000 0.263 160 Q C -2.209 173.840 176.000 0.081 0.000 0.995 160 Q CA -2.208 53.599 55.803 0.007 0.000 0.853 160 Q CB 1.464 30.230 28.738 0.047 0.000 1.300 160 Q HN 0.469 nan 8.270 nan 0.000 0.448 161 P HA -0.024 nan 4.420 nan 0.000 0.274 161 P C -0.159 177.163 177.300 0.036 0.000 1.237 161 P CA -0.346 62.795 63.100 0.068 0.000 0.793 161 P CB 0.846 32.530 31.700 -0.026 0.000 0.977 162 D N 0.705 121.103 120.400 -0.003 0.000 2.478 162 D HA -0.081 4.558 4.640 -0.001 0.000 0.234 162 D C 1.240 177.605 176.300 0.108 0.000 1.154 162 D CA 0.432 54.475 54.000 0.070 0.000 0.874 162 D CB 0.794 41.664 40.800 0.118 0.000 1.198 162 D HN 0.345 nan 8.370 nan 0.000 0.455 163 S N 3.526 119.256 115.700 0.049 0.000 2.500 163 S HA -0.149 4.320 4.470 -0.001 0.000 0.239 163 S C 1.540 176.099 174.600 -0.068 0.000 0.989 163 S CA 0.646 58.831 58.200 -0.024 0.000 0.951 163 S CB -0.067 63.122 63.200 -0.017 0.000 0.759 163 S HN 0.556 nan 8.310 nan 0.000 0.523 164 R N -0.515 120.008 120.500 0.040 0.000 2.276 164 R HA 0.326 4.665 4.340 -0.001 0.000 0.196 164 R C -0.627 175.549 176.300 -0.207 0.000 0.961 164 R CA 0.192 56.262 56.100 -0.050 0.000 1.024 164 R CB 0.043 30.298 30.300 -0.074 0.000 0.940 164 R HN 0.417 nan 8.270 nan 0.000 0.480 165 F N 0.009 119.870 119.950 -0.149 0.000 2.458 165 F HA 0.319 4.846 4.527 -0.001 0.000 0.336 165 F C 0.204 175.868 175.800 -0.227 0.000 1.114 165 F CA -1.049 56.891 58.000 -0.100 0.000 0.987 165 F CB 1.335 40.266 39.000 -0.116 0.000 1.130 165 F HN -0.078 nan 8.300 nan 0.000 0.458 166 H N 0.782 119.972 119.070 0.199 0.000 2.621 166 H HA 0.736 5.292 4.556 -0.001 0.000 0.360 166 H C -0.550 174.860 175.328 0.138 0.000 1.163 166 H CA -1.010 55.158 56.048 0.200 0.000 1.194 166 H CB 1.536 31.456 29.762 0.263 0.000 1.649 166 H HN 0.713 nan 8.280 nan 0.000 0.532 167 A N 1.142 124.112 122.820 0.250 0.000 2.295 167 A HA 0.795 5.115 4.320 -0.001 0.000 0.318 167 A C -0.585 176.952 177.584 -0.079 0.000 1.134 167 A CA -0.144 51.971 52.037 0.130 0.000 0.827 167 A CB 0.344 19.434 19.000 0.149 0.000 1.136 167 A HN 0.806 nan 8.150 nan 0.000 0.493 168 A N 1.335 124.049 122.820 -0.176 0.000 2.408 168 A HA 0.563 4.882 4.320 -0.001 0.000 0.295 168 A C -1.026 176.444 177.584 -0.190 0.000 1.040 168 A CA -0.490 51.317 52.037 -0.384 0.000 0.707 168 A CB 0.897 19.498 19.000 -0.666 0.000 1.235 168 A HN 1.421 nan 8.150 nan 0.000 0.418 169 L N 2.762 123.893 121.223 -0.154 0.000 2.342 169 L HA 0.360 4.699 4.340 -0.001 0.000 0.285 169 L C 0.710 177.587 176.870 0.012 0.000 1.095 169 L CA 0.200 54.976 54.840 -0.107 0.000 0.843 169 L CB 0.031 42.021 42.059 -0.115 0.000 1.201 169 L HN 0.705 nan 8.230 nan 0.000 0.445 170 R N 5.104 125.629 120.500 0.041 0.000 2.267 170 R HA 0.300 4.640 4.340 -0.001 0.000 0.319 170 R C -0.236 176.186 176.300 0.203 0.000 1.067 170 R CA -0.199 55.985 56.100 0.141 0.000 0.936 170 R CB 0.421 30.825 30.300 0.174 0.000 1.006 170 R HN 0.871 nan 8.270 nan 0.000 0.452 171 L N 3.929 125.288 121.223 0.227 0.000 3.014 171 L HA 0.173 4.512 4.340 -0.001 0.000 0.263 171 L C 0.502 177.478 176.870 0.176 0.000 1.207 171 L CA -0.336 54.674 54.840 0.283 0.000 1.017 171 L CB 0.515 42.724 42.059 0.250 0.000 1.360 171 L HN 0.662 nan 8.230 nan 0.000 0.560 172 D N 1.549 122.032 120.400 0.139 0.000 2.126 172 D HA -0.188 4.451 4.640 -0.001 0.000 0.190 172 D C -0.653 175.619 176.300 -0.047 0.000 1.001 172 D CA 1.717 55.760 54.000 0.071 0.000 0.841 172 D CB -1.102 39.760 40.800 0.102 0.000 0.949 172 D HN 0.216 nan 8.370 nan 0.000 0.446 173 P HA -0.120 nan 4.420 nan 0.000 0.215 173 P C 1.612 178.631 177.300 -0.467 0.000 1.153 173 P CA 0.711 63.532 63.100 -0.465 0.000 0.853 173 P CB 0.045 31.172 31.700 -0.954 0.000 0.788 174 L N -1.485 119.457 121.223 -0.467 0.000 2.027 174 L HA -0.115 4.224 4.340 -0.001 0.000 0.206 174 L C 1.964 178.858 176.870 0.039 0.000 1.074 174 L CA 2.023 56.800 54.840 -0.104 0.000 0.745 174 L CB -1.296 40.864 42.059 0.168 0.000 0.898 174 L HN -0.155 nan 8.230 nan 0.000 0.433 175 L N -0.233 121.010 121.223 0.032 0.000 2.131 175 L HA -0.013 4.327 4.340 -0.001 0.000 0.206 175 L C 2.021 178.918 176.870 0.044 0.000 1.087 175 L CA 1.198 56.062 54.840 0.041 0.000 0.767 175 L CB -0.928 41.184 42.059 0.088 0.000 0.917 175 L HN 0.345 nan 8.230 nan 0.000 0.441 176 N N -0.491 118.230 118.700 0.036 0.000 2.356 176 N HA 0.029 4.768 4.740 -0.001 0.000 0.178 176 N C 0.147 175.673 175.510 0.027 0.000 1.075 176 N CA 0.343 53.420 53.050 0.044 0.000 0.889 176 N CB 0.371 38.890 38.487 0.054 0.000 0.999 176 N HN 0.428 nan 8.380 nan 0.000 0.464 177 E N -0.459 119.738 120.200 -0.005 0.000 3.575 177 E HA 0.073 4.423 4.350 -0.001 0.000 0.201 177 E C -0.160 176.420 176.600 -0.033 0.000 0.999 177 E CA -0.272 56.114 56.400 -0.023 0.000 1.315 177 E CB 0.159 29.823 29.700 -0.061 0.000 1.146 177 E HN 0.110 nan 8.360 nan 0.000 0.453 178 Y N 2.301 122.531 120.300 -0.115 0.000 2.151 178 Y HA -0.270 4.280 4.550 -0.001 0.000 0.284 178 Y C 2.069 177.889 175.900 -0.133 0.000 1.166 178 Y CA 1.829 59.854 58.100 -0.125 0.000 1.163 178 Y CB 0.322 38.718 38.460 -0.107 0.000 0.974 178 Y HN 0.098 nan 8.280 nan 0.000 0.511 179 E N 0.114 120.245 120.200 -0.115 0.000 2.097 179 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 179 E C 1.983 178.426 176.600 -0.262 0.000 1.000 179 E CA 1.963 58.250 56.400 -0.189 0.000 0.804 179 E CB -0.249 29.426 29.700 -0.041 0.000 0.740 179 E HN 0.646 nan 8.360 nan 0.000 0.454 180 Q N -0.852 118.855 119.800 -0.154 0.000 2.250 180 Q HA 0.050 4.389 4.340 -0.001 0.000 0.200 180 Q C 2.130 178.036 176.000 -0.157 0.000 0.941 180 Q CA 1.198 56.963 55.803 -0.063 0.000 0.872 180 Q CB -0.155 28.568 28.738 -0.024 0.000 0.965 180 Q HN 0.117 nan 8.270 nan 0.000 0.480 181 T N 1.713 116.111 114.554 -0.260 0.000 2.904 181 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 181 T C 1.528 176.007 174.700 -0.369 0.000 1.059 181 T CA 1.338 63.269 62.100 -0.282 0.000 1.137 181 T CB -0.146 68.533 68.868 -0.315 0.000 0.879 181 T HN 0.433 nan 8.240 nan 0.000 0.467 182 K N 0.997 121.001 120.400 -0.660 0.000 2.160 182 K HA -0.228 4.092 4.320 -0.001 0.000 0.206 182 K C 1.797 178.136 176.600 -0.435 0.000 1.047 182 K CA 1.624 57.490 56.287 -0.702 0.000 0.930 182 K CB -0.529 31.341 32.500 -1.049 0.000 0.720 182 K HN 0.402 nan 8.250 nan 0.000 0.450 183 H N 1.246 120.168 119.070 -0.246 0.000 2.389 183 H HA 0.042 4.598 4.556 -0.001 0.000 0.299 183 H C 2.155 177.327 175.328 -0.259 0.000 1.081 183 H CA 1.292 57.224 56.048 -0.195 0.000 1.345 183 H CB -0.064 29.601 29.762 -0.162 0.000 1.393 183 H HN 0.329 nan 8.280 nan 0.000 0.520 184 R N 0.268 120.612 120.500 -0.259 0.000 2.115 184 R HA 0.002 4.342 4.340 -0.001 0.000 0.226 184 R C 2.541 178.385 176.300 -0.760 0.000 1.100 184 R CA 0.447 56.156 56.100 -0.651 0.000 0.980 184 R CB -0.109 29.738 30.300 -0.755 0.000 0.875 184 R HN 0.215 nan 8.270 nan 0.000 0.445 185 L N 1.051 122.102 121.223 -0.287 0.000 1.994 185 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 185 L C 2.750 179.755 176.870 0.225 0.000 1.071 185 L CA 1.640 56.541 54.840 0.101 0.000 0.745 185 L CB -0.561 41.532 42.059 0.056 0.000 0.892 185 L HN 0.231 nan 8.230 nan 0.000 0.431 186 R N 0.001 120.547 120.500 0.077 0.000 2.127 186 R HA -0.225 4.115 4.340 -0.001 0.000 0.238 186 R C 1.657 177.991 176.300 0.057 0.000 1.134 186 R CA 1.968 58.122 56.100 0.089 0.000 0.975 186 R CB -0.901 29.429 30.300 0.050 0.000 0.865 186 R HN 0.299 nan 8.270 nan 0.000 0.447 187 D N -0.014 120.359 120.400 -0.044 0.000 2.264 187 D HA -0.150 4.489 4.640 -0.001 0.000 0.208 187 D C 0.677 177.021 176.300 0.073 0.000 0.966 187 D CA 0.720 54.681 54.000 -0.066 0.000 0.864 187 D CB 0.042 40.709 40.800 -0.222 0.000 0.933 187 D HN 0.363 nan 8.370 nan 0.000 0.499 188 W N -0.206 121.191 121.300 0.162 0.000 3.316 188 W HA 0.460 5.119 4.660 -0.001 0.000 0.327 188 W C 1.495 177.988 176.519 -0.044 0.000 1.232 188 W CA 0.540 57.984 57.345 0.164 0.000 1.805 188 W CB -0.007 29.689 29.460 0.394 0.000 1.090 188 W HN 0.177 nan 8.180 nan 0.000 0.654 189 G N -0.263 108.598 108.800 0.102 0.000 2.176 189 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.232 189 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.232 189 G C -0.361 174.405 174.900 -0.223 0.000 0.986 189 G CA -0.438 44.594 45.100 -0.114 0.000 0.643 189 G HN 0.184 nan 8.290 nan 0.000 0.522 190 Y N 1.875 122.304 120.300 0.214 0.000 2.595 190 Y HA 0.490 5.040 4.550 -0.001 0.000 0.347 190 Y C 0.688 176.661 175.900 0.122 0.000 1.025 190 Y CA -0.908 57.306 58.100 0.190 0.000 1.295 190 Y CB 0.967 39.587 38.460 0.265 0.000 1.147 190 Y HN -0.141 nan 8.280 nan 0.000 0.515 191 K N 3.851 124.353 120.400 0.171 0.000 2.121 191 K HA 0.142 4.462 4.320 -0.001 0.000 0.235 191 K C -0.261 176.408 176.600 0.114 0.000 1.200 191 K CA -0.196 56.159 56.287 0.113 0.000 1.115 191 K CB -0.655 31.885 32.500 0.067 0.000 1.474 191 K HN 0.479 nan 8.250 nan 0.000 0.295 192 V N -0.266 119.727 119.914 0.131 0.000 2.607 192 V HA 0.308 4.427 4.120 -0.001 0.000 0.289 192 V C 0.288 176.439 176.094 0.095 0.000 1.053 192 V CA -1.007 61.372 62.300 0.132 0.000 0.996 192 V CB 0.797 32.749 31.823 0.216 0.000 0.995 192 V HN 0.440 nan 8.190 nan 0.000 0.476 193 N N 2.808 121.559 118.700 0.085 0.000 2.476 193 N HA 0.270 5.009 4.740 -0.001 0.000 0.275 193 N C 0.189 175.769 175.510 0.116 0.000 1.190 193 N CA -0.561 52.534 53.050 0.075 0.000 0.977 193 N CB 0.793 39.306 38.487 0.043 0.000 1.200 193 N HN 0.708 nan 8.380 nan 0.000 0.515 194 D N 0.380 120.837 120.400 0.094 0.000 2.178 194 D HA -0.130 4.510 4.640 -0.001 0.000 0.201 194 D C 0.274 176.666 176.300 0.154 0.000 0.980 194 D CA 1.332 55.396 54.000 0.106 0.000 0.842 194 D CB 0.026 40.873 40.800 0.079 0.000 0.948 194 D HN 0.687 nan 8.370 nan 0.000 0.472 195 E N -0.267 120.015 120.200 0.137 0.000 2.242 195 E HA 0.059 4.409 4.350 -0.001 0.000 0.275 195 E C -0.335 176.394 176.600 0.215 0.000 1.002 195 E CA -0.889 55.609 56.400 0.163 0.000 0.841 195 E CB 1.080 30.842 29.700 0.103 0.000 1.109 195 E HN 0.085 nan 8.360 nan 0.000 0.394 196 W N 5.945 127.274 121.300 0.048 0.000 2.351 196 W HA 0.055 4.715 4.660 -0.001 0.000 0.421 196 W C -1.076 175.460 176.519 0.029 0.000 1.000 196 W CA -0.394 56.972 57.345 0.035 0.000 1.610 196 W CB -0.076 29.387 29.460 0.005 0.000 1.700 196 W HN 0.721 nan 8.180 nan 0.000 0.351 197 N N 0.712 119.251 118.700 -0.269 0.000 2.741 197 N HA 0.125 4.865 4.740 -0.001 0.000 0.310 197 N C 0.678 175.962 175.510 -0.377 0.000 1.295 197 N CA -0.492 52.418 53.050 -0.233 0.000 0.893 197 N CB 0.262 38.689 38.487 -0.100 0.000 1.247 197 N HN 0.043 nan 8.380 nan 0.000 0.596 198 E N -0.652 119.416 120.200 -0.220 0.000 2.209 198 E HA -0.046 4.303 4.350 -0.001 0.000 0.196 198 E C 1.661 178.146 176.600 -0.191 0.000 0.993 198 E CA 1.847 58.130 56.400 -0.195 0.000 0.819 198 E CB -0.914 28.729 29.700 -0.096 0.000 0.745 198 E HN 0.761 nan 8.360 nan 0.000 0.477 199 G N -0.568 108.139 108.800 -0.156 0.000 2.414 199 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.215 199 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.215 199 G C 1.832 176.648 174.900 -0.140 0.000 1.188 199 G CA 0.948 45.986 45.100 -0.104 0.000 0.783 199 G HN 0.333 nan 8.290 nan 0.000 0.537 200 S N 0.624 116.178 115.700 -0.245 0.000 2.368 200 S HA -0.068 4.401 4.470 -0.001 0.000 0.225 200 S C 2.284 176.611 174.600 -0.456 0.000 1.030 200 S CA 0.987 59.014 58.200 -0.289 0.000 0.999 200 S CB -0.253 62.727 63.200 -0.367 0.000 0.844 200 S HN 0.375 nan 8.310 nan 0.000 0.459 201 I N 1.574 121.703 120.570 -0.735 0.000 2.127 201 I HA -0.235 3.935 4.170 -0.001 0.000 0.241 201 I C 2.719 178.753 176.117 -0.138 0.000 1.075 201 I CA 1.163 62.155 61.300 -0.512 0.000 1.334 201 I CB -0.388 37.362 38.000 -0.417 0.000 1.040 201 I HN 0.252 nan 8.210 nan 0.000 0.405 202 Q N 0.407 120.148 119.800 -0.098 0.000 2.124 202 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 202 Q C 2.102 178.148 176.000 0.077 0.000 0.977 202 Q CA 1.289 57.094 55.803 0.004 0.000 0.850 202 Q CB -0.317 28.422 28.738 0.002 0.000 0.901 202 Q HN 0.509 nan 8.270 nan 0.000 0.429 203 E N -0.033 120.220 120.200 0.089 0.000 2.072 203 E HA -0.077 4.272 4.350 -0.001 0.000 0.191 203 E C 2.218 178.971 176.600 0.255 0.000 0.985 203 E CA 0.590 57.122 56.400 0.220 0.000 0.801 203 E CB -0.079 29.754 29.700 0.222 0.000 0.750 203 E HN 0.130 nan 8.360 nan 0.000 0.452 204 V N 1.712 121.740 119.914 0.190 0.000 2.343 204 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 204 V C 2.239 178.465 176.094 0.219 0.000 1.051 204 V CA 1.744 64.181 62.300 0.229 0.000 1.036 204 V CB -0.375 31.620 31.823 0.287 0.000 0.654 204 V HN 0.215 nan 8.190 nan 0.000 0.451 205 K N -0.282 120.215 120.400 0.161 0.000 2.097 205 K HA -0.191 4.128 4.320 -0.001 0.000 0.206 205 K C 2.392 179.064 176.600 0.121 0.000 1.049 205 K CA 1.369 57.730 56.287 0.123 0.000 0.933 205 K CB -0.230 32.326 32.500 0.093 0.000 0.717 205 K HN 0.296 nan 8.250 nan 0.000 0.442 206 R N 0.251 120.853 120.500 0.170 0.000 2.075 206 R HA -0.129 4.210 4.340 -0.001 0.000 0.232 206 R C 2.179 178.588 176.300 0.180 0.000 1.126 206 R CA 1.211 57.434 56.100 0.205 0.000 0.963 206 R CB -0.232 30.258 30.300 0.316 0.000 0.858 206 R HN 0.156 nan 8.270 nan 0.000 0.435 207 F N 1.318 121.202 119.950 -0.110 0.000 2.095 207 F HA -0.203 4.324 4.527 -0.001 0.000 0.298 207 F C 1.753 177.520 175.800 -0.055 0.000 1.104 207 F CA 1.551 59.283 58.000 -0.446 0.000 1.232 207 F CB -0.305 38.325 39.000 -0.615 0.000 0.987 207 F HN -0.033 nan 8.300 nan 0.000 0.475 208 L N -0.529 120.703 121.223 0.016 0.000 2.017 208 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 208 L C 2.396 179.173 176.870 -0.155 0.000 1.073 208 L CA 1.917 56.716 54.840 -0.069 0.000 0.745 208 L CB -1.342 40.728 42.059 0.019 0.000 0.894 208 L HN 0.142 nan 8.230 nan 0.000 0.432 209 T N -0.875 113.610 114.554 -0.114 0.000 2.720 209 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 209 T C 1.470 176.086 174.700 -0.141 0.000 1.037 209 T CA 1.542 63.559 62.100 -0.137 0.000 1.144 209 T CB -0.270 68.589 68.868 -0.014 0.000 0.864 209 T HN 0.315 nan 8.240 nan 0.000 0.444 210 D N 0.024 120.330 120.400 -0.157 0.000 2.097 210 D HA -0.076 4.563 4.640 -0.001 0.000 0.195 210 D C 1.719 177.756 176.300 -0.438 0.000 0.989 210 D CA 0.972 54.813 54.000 -0.265 0.000 0.827 210 D CB -0.313 40.337 40.800 -0.251 0.000 0.966 210 D HN 0.560 nan 8.370 nan 0.000 0.456 211 W N 0.905 121.948 121.300 -0.428 0.000 2.467 211 W HA 0.115 4.775 4.660 -0.001 0.000 0.275 211 W C 2.344 178.643 176.519 -0.367 0.000 1.239 211 W CA -0.033 57.030 57.345 -0.471 0.000 1.266 211 W CB -0.220 28.834 29.460 -0.677 0.000 1.112 211 W HN -0.078 nan 8.180 nan 0.000 0.576 212 I N 0.025 120.522 120.570 -0.122 0.000 2.252 212 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 212 I C 2.408 178.468 176.117 -0.097 0.000 1.102 212 I CA 1.556 62.775 61.300 -0.136 0.000 1.385 212 I CB -0.471 37.383 38.000 -0.244 0.000 1.064 212 I HN 0.021 nan 8.210 nan 0.000 0.414 213 E N 0.922 121.060 120.200 -0.104 0.000 2.150 213 E HA -0.250 4.099 4.350 -0.001 0.000 0.193 213 E C 2.337 178.889 176.600 -0.080 0.000 0.985 213 E CA 0.905 57.267 56.400 -0.064 0.000 0.814 213 E CB 0.111 29.770 29.700 -0.068 0.000 0.752 213 E HN 0.286 nan 8.360 nan 0.000 0.466 214 R N -0.522 119.883 120.500 -0.158 0.000 2.093 214 R HA 0.014 4.354 4.340 -0.001 0.000 0.224 214 R C 2.100 178.374 176.300 -0.042 0.000 1.101 214 R CA 1.235 57.248 56.100 -0.146 0.000 0.979 214 R CB 0.118 30.171 30.300 -0.411 0.000 0.877 214 R HN 0.213 nan 8.270 nan 0.000 0.441 215 M N -0.796 118.705 119.600 -0.164 0.000 2.534 215 M HA 0.052 4.531 4.480 -0.001 0.000 0.263 215 M C -0.088 176.186 176.300 -0.043 0.000 1.152 215 M CA 0.305 55.418 55.300 -0.313 0.000 1.145 215 M CB 0.543 32.778 32.600 -0.608 0.000 1.333 215 M HN 0.000 nan 8.290 nan 0.000 0.477 216 D N 1.590 121.976 120.400 -0.024 0.000 2.705 216 D HA -0.088 4.551 4.640 -0.001 0.000 0.240 216 D C -2.305 174.018 176.300 0.037 0.000 1.137 216 D CA 0.083 54.102 54.000 0.032 0.000 0.677 216 D CB -0.336 40.514 40.800 0.083 0.000 1.049 216 D HN 0.180 nan 8.370 nan 0.000 0.427 217 P HA 0.044 nan 4.420 nan 0.000 0.271 217 P C 1.412 178.702 177.300 -0.017 0.000 1.218 217 P CA -0.120 62.948 63.100 -0.054 0.000 0.780 217 P CB 1.321 32.948 31.700 -0.122 0.000 0.901 218 V N 0.012 119.902 119.914 -0.040 0.000 2.871 218 V HA 0.033 4.152 4.120 -0.001 0.000 0.256 218 V C 0.497 176.628 176.094 0.061 0.000 1.082 218 V CA 0.986 63.305 62.300 0.032 0.000 1.105 218 V CB -1.933 29.959 31.823 0.114 0.000 0.713 218 V HN 0.679 nan 8.190 nan 0.000 0.473 219 Y N -3.459 116.861 120.300 0.033 0.000 2.732 219 Y HA 0.732 5.281 4.550 -0.001 0.000 0.342 219 Y C -1.155 174.758 175.900 0.021 0.000 1.203 219 Y CA -2.482 55.626 58.100 0.012 0.000 1.092 219 Y CB 0.689 39.156 38.460 0.012 0.000 1.345 219 Y HN -0.050 nan 8.280 nan 0.000 0.458 220 M N 2.543 122.339 119.600 0.327 0.000 2.336 220 M HA 0.839 5.319 4.480 -0.001 0.000 0.342 220 M C -0.431 176.128 176.300 0.432 0.000 1.128 220 M CA -0.750 54.707 55.300 0.263 0.000 1.016 220 M CB 1.964 34.651 32.600 0.145 0.000 1.665 220 M HN 0.932 nan 8.290 nan 0.000 0.445 221 A N 2.449 125.470 122.820 0.334 0.000 2.430 221 A HA 0.967 5.286 4.320 -0.001 0.000 0.300 221 A C -1.493 176.205 177.584 0.190 0.000 1.124 221 A CA -0.780 51.398 52.037 0.237 0.000 0.766 221 A CB 2.153 21.285 19.000 0.220 0.000 1.328 221 A HN 0.669 nan 8.150 nan 0.000 0.424 222 V N 0.606 120.551 119.914 0.052 0.000 3.000 222 V HA 0.661 4.780 4.120 -0.001 0.000 0.300 222 V C -0.705 175.346 176.094 -0.071 0.000 1.251 222 V CA 0.165 62.495 62.300 0.051 0.000 0.972 222 V CB 2.462 34.362 31.823 0.130 0.000 1.065 222 V HN 1.733 nan 8.190 nan 0.000 0.431 223 S N 6.792 122.500 115.700 0.014 0.000 2.489 223 S HA 0.883 5.353 4.470 -0.001 0.000 0.291 223 S C -0.873 173.749 174.600 0.038 0.000 1.151 223 S CA -0.670 57.554 58.200 0.040 0.000 1.082 223 S CB 1.380 64.724 63.200 0.240 0.000 1.019 223 S HN 0.752 nan 8.310 nan 0.000 0.492 224 L N 3.003 124.221 121.223 -0.008 0.000 2.323 224 L HA 0.682 5.021 4.340 -0.001 0.000 0.265 224 L C -2.312 174.611 176.870 0.087 0.000 1.012 224 L CA -2.711 52.111 54.840 -0.032 0.000 0.820 224 L CB 2.460 44.306 42.059 -0.356 0.000 1.334 224 L HN 0.492 nan 8.230 nan 0.000 0.427 225 P HA 0.237 nan 4.420 nan 0.000 0.276 225 P C -2.482 174.897 177.300 0.133 0.000 1.261 225 P CA -1.701 61.474 63.100 0.125 0.000 0.800 225 P CB 0.652 32.425 31.700 0.122 0.000 1.066 226 P HA -0.117 nan 4.420 nan 0.000 0.219 226 P C 1.306 178.659 177.300 0.087 0.000 1.146 226 P CA 1.991 65.127 63.100 0.060 0.000 0.808 226 P CB -0.611 31.087 31.700 -0.002 0.000 0.779 227 T N -4.995 109.616 114.554 0.095 0.000 3.148 227 T HA 0.024 4.374 4.350 -0.001 0.000 0.253 227 T C 0.398 175.162 174.700 0.107 0.000 1.134 227 T CA -0.448 61.698 62.100 0.077 0.000 1.051 227 T CB -1.200 67.701 68.868 0.054 0.000 0.959 227 T HN -0.118 nan 8.240 nan 0.000 0.525 228 F N 4.369 124.335 119.950 0.026 0.000 2.623 228 F HA 0.338 4.865 4.527 -0.001 0.000 0.383 228 F C 0.413 176.237 175.800 0.040 0.000 1.077 228 F CA -0.356 57.667 58.000 0.038 0.000 1.268 228 F CB 0.202 39.227 39.000 0.041 0.000 1.053 228 F HN 0.333 nan 8.300 nan 0.000 0.571 229 S N 6.188 121.385 115.700 -0.837 0.000 2.588 229 S HA 0.805 5.275 4.470 -0.001 0.000 0.275 229 S C -1.359 172.804 174.600 -0.728 0.000 1.130 229 S CA -0.824 56.970 58.200 -0.677 0.000 0.855 229 S CB 2.164 65.181 63.200 -0.304 0.000 1.116 229 S HN 0.838 nan 8.310 nan 0.000 0.472 230 F N 0.956 120.534 119.950 -0.620 0.000 2.654 230 F HA 0.607 5.134 4.527 -0.001 0.000 0.314 230 F C -3.077 172.443 175.800 -0.467 0.000 1.116 230 F CA -1.231 56.498 58.000 -0.451 0.000 1.017 230 F CB 1.505 40.300 39.000 -0.342 0.000 1.285 230 F HN 0.529 nan 8.300 nan 0.000 0.448 231 P HA 0.263 nan 4.420 nan 0.000 0.271 231 P C -1.652 175.213 177.300 -0.725 0.000 1.233 231 P CA 0.044 62.316 63.100 -1.380 0.000 0.789 231 P CB 0.623 31.773 31.700 -0.917 0.000 0.951 232 E N 0.327 120.162 120.200 -0.609 0.000 2.397 232 E HA 0.090 4.439 4.350 -0.001 0.000 0.293 232 E C -1.088 175.356 176.600 -0.259 0.000 0.930 232 E CA -0.437 55.761 56.400 -0.336 0.000 0.793 232 E CB 0.933 30.481 29.700 -0.254 0.000 1.259 232 E HN 0.223 nan 8.360 nan 0.000 0.406 233 E N 2.445 122.529 120.200 -0.193 0.000 1.802 233 E HA 0.181 4.531 4.350 -0.001 0.000 0.265 233 E C -0.812 175.704 176.600 -0.140 0.000 1.168 233 E CA 0.145 56.451 56.400 -0.157 0.000 1.033 233 E CB 0.444 30.078 29.700 -0.111 0.000 1.095 233 E HN 0.492 nan 8.360 nan 0.000 0.436 234 S N 0.497 116.094 115.700 -0.172 0.000 2.656 234 S HA 0.320 4.789 4.470 -0.001 0.000 0.273 234 S C 0.736 175.191 174.600 -0.242 0.000 1.168 234 S CA -0.870 57.241 58.200 -0.149 0.000 0.817 234 S CB 0.990 64.133 63.200 -0.096 0.000 1.146 234 S HN 0.275 nan 8.310 nan 0.000 0.475 235 N N 0.545 119.111 118.700 -0.223 0.000 2.069 235 N HA -0.144 4.596 4.740 -0.001 0.000 0.191 235 N C 2.034 177.312 175.510 -0.386 0.000 1.031 235 N CA 1.282 54.101 53.050 -0.385 0.000 0.852 235 N CB -0.244 38.133 38.487 -0.182 0.000 1.018 235 N HN 0.586 nan 8.380 nan 0.000 0.423 236 R N 0.851 121.253 120.500 -0.164 0.000 2.080 236 R HA -0.119 4.220 4.340 -0.001 0.000 0.236 236 R C 2.306 178.597 176.300 -0.014 0.000 1.137 236 R CA 1.795 57.866 56.100 -0.048 0.000 0.943 236 R CB -0.591 29.764 30.300 0.092 0.000 0.846 236 R HN 0.249 nan 8.270 nan 0.000 0.431 237 G N 0.544 109.327 108.800 -0.029 0.000 2.440 237 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 237 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 237 G C 1.502 176.362 174.900 -0.067 0.000 1.154 237 G CA 0.638 45.738 45.100 -0.001 0.000 0.767 237 G HN 0.335 nan 8.290 nan 0.000 0.552 238 R N -0.292 120.033 120.500 -0.290 0.000 2.073 238 R HA 0.147 4.487 4.340 -0.001 0.000 0.229 238 R C 2.607 178.705 176.300 -0.336 0.000 1.120 238 R CA 0.813 56.665 56.100 -0.413 0.000 0.967 238 R CB -0.324 29.402 30.300 -0.956 0.000 0.862 238 R HN 0.373 nan 8.270 nan 0.000 0.436 239 I N 0.703 120.991 120.570 -0.469 0.000 2.226 239 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 239 I C 2.253 178.346 176.117 -0.040 0.000 1.100 239 I CA 1.361 62.518 61.300 -0.239 0.000 1.374 239 I CB -0.215 37.605 38.000 -0.300 0.000 1.057 239 I HN 0.131 nan 8.210 nan 0.000 0.413 240 I N 0.273 120.836 120.570 -0.012 0.000 2.179 240 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 240 I C 2.835 178.967 176.117 0.026 0.000 1.088 240 I CA 1.295 62.583 61.300 -0.021 0.000 1.357 240 I CB -0.413 37.643 38.000 0.094 0.000 1.051 240 I HN 0.202 nan 8.210 nan 0.000 0.409 241 R N 0.970 121.598 120.500 0.213 0.000 2.070 241 R HA -0.181 4.159 4.340 -0.001 0.000 0.233 241 R C 1.678 178.096 176.300 0.196 0.000 1.137 241 R CA 2.097 58.355 56.100 0.263 0.000 0.945 241 R CB -0.115 30.365 30.300 0.300 0.000 0.845 241 R HN 0.322 nan 8.270 nan 0.000 0.430 242 D N -0.914 119.618 120.400 0.219 0.000 2.305 242 D HA -0.018 4.621 4.640 -0.001 0.000 0.206 242 D C 1.584 178.003 176.300 0.198 0.000 0.974 242 D CA 0.704 54.856 54.000 0.253 0.000 0.871 242 D CB 0.262 41.312 40.800 0.418 0.000 0.947 242 D HN 0.330 nan 8.370 nan 0.000 0.516 243 C N 0.004 119.407 119.300 0.171 0.000 2.503 243 C HA 0.188 4.648 4.460 -0.001 0.000 0.344 243 C C 2.384 177.382 174.990 0.015 0.000 1.610 243 C CA -0.426 58.663 59.018 0.118 0.000 2.351 243 C CB -0.406 27.444 27.740 0.184 0.000 2.044 243 C HN 0.210 nan 8.230 nan 0.000 0.680 244 L N 1.791 122.975 121.223 -0.065 0.000 1.956 244 L HA -0.123 4.217 4.340 -0.001 0.000 0.216 244 L C 2.278 178.996 176.870 -0.252 0.000 1.073 244 L CA 2.204 56.913 54.840 -0.218 0.000 0.762 244 L CB -1.318 40.489 42.059 -0.421 0.000 0.889 244 L HN 0.406 nan 8.230 nan 0.000 0.433 245 L N -0.264 120.801 121.223 -0.263 0.000 2.012 245 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 245 L C 0.012 176.830 176.870 -0.086 0.000 1.073 245 L CA 1.448 56.143 54.840 -0.242 0.000 0.748 245 L CB -2.032 39.812 42.059 -0.358 0.000 0.891 245 L HN 0.245 nan 8.230 nan 0.000 0.431 246 P HA -0.135 nan 4.420 nan 0.000 0.215 246 P C 1.979 179.306 177.300 0.044 0.000 1.157 246 P CA 1.170 64.300 63.100 0.050 0.000 0.868 246 P CB 0.076 31.822 31.700 0.077 0.000 0.788 247 V N 0.089 120.017 119.914 0.022 0.000 2.358 247 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 247 V C 2.453 178.571 176.094 0.040 0.000 1.047 247 V CA 2.228 64.554 62.300 0.044 0.000 1.035 247 V CB -1.737 30.064 31.823 -0.037 0.000 0.658 247 V HN 0.092 nan 8.190 nan 0.000 0.452 248 A N -0.457 122.327 122.820 -0.059 0.000 1.908 248 A HA -0.292 4.027 4.320 -0.001 0.000 0.218 248 A C 2.294 179.861 177.584 -0.029 0.000 1.181 248 A CA 2.133 54.122 52.037 -0.079 0.000 0.627 248 A CB -0.500 18.392 19.000 -0.180 0.000 0.818 248 A HN 0.640 nan 8.150 nan 0.000 0.445 249 E N -0.198 119.989 120.200 -0.021 0.000 2.047 249 E HA -0.238 4.111 4.350 -0.001 0.000 0.191 249 E C 2.109 178.723 176.600 0.022 0.000 0.987 249 E CA 1.448 57.846 56.400 -0.004 0.000 0.799 249 E CB -0.176 29.540 29.700 0.027 0.000 0.752 249 E HN 0.607 nan 8.360 nan 0.000 0.449 250 K N -0.429 120.008 120.400 0.063 0.000 2.074 250 K HA -0.208 4.112 4.320 -0.001 0.000 0.209 250 K C 1.456 178.026 176.600 -0.050 0.000 1.048 250 K CA 1.925 58.227 56.287 0.025 0.000 0.926 250 K CB -0.133 32.408 32.500 0.068 0.000 0.713 250 K HN 0.254 nan 8.250 nan 0.000 0.444 251 H N -0.369 118.680 119.070 -0.035 0.000 2.539 251 H HA 0.161 4.717 4.556 -0.001 0.000 0.269 251 H C -0.183 175.116 175.328 -0.050 0.000 0.980 251 H CA 0.426 56.452 56.048 -0.037 0.000 1.152 251 H CB -0.084 29.658 29.762 -0.034 0.000 1.407 251 H HN 0.355 nan 8.280 nan 0.000 0.564 252 N N 0.945 119.664 118.700 0.032 0.000 2.725 252 N HA -0.162 4.577 4.740 -0.001 0.000 0.251 252 N C -1.025 174.455 175.510 -0.050 0.000 1.031 252 N CA -0.269 52.759 53.050 -0.036 0.000 0.720 252 N CB -0.636 37.821 38.487 -0.051 0.000 0.930 252 N HN 0.140 nan 8.380 nan 0.000 0.543 253 I N 1.050 121.600 120.570 -0.033 0.000 2.354 253 I HA 0.408 4.578 4.170 -0.001 0.000 0.292 253 I C -1.986 174.090 176.117 -0.068 0.000 0.989 253 I CA -2.091 59.190 61.300 -0.032 0.000 1.188 253 I CB 1.079 39.077 38.000 -0.004 0.000 1.342 253 I HN -0.017 nan 8.210 nan 0.000 0.457 254 P HA 0.108 nan 4.420 nan 0.000 0.272 254 P C -0.744 176.602 177.300 0.076 0.000 1.223 254 P CA -0.087 62.979 63.100 -0.057 0.000 0.784 254 P CB 0.452 32.154 31.700 0.003 0.000 0.923 255 F N 2.631 122.453 119.950 -0.214 0.000 2.388 255 F HA 0.617 5.143 4.527 -0.001 0.000 0.358 255 F C -0.571 175.191 175.800 -0.063 0.000 1.122 255 F CA -1.808 56.109 58.000 -0.139 0.000 1.056 255 F CB 0.160 39.019 39.000 -0.235 0.000 1.155 255 F HN 0.277 nan 8.300 nan 0.000 0.461 256 A N 8.189 130.911 122.820 -0.163 0.000 2.274 256 A HA 0.702 5.021 4.320 -0.001 0.000 0.309 256 A C -0.658 176.590 177.584 -0.560 0.000 1.226 256 A CA -0.589 51.207 52.037 -0.402 0.000 0.853 256 A CB 0.218 18.846 19.000 -0.620 0.000 1.146 256 A HN 0.797 nan 8.150 nan 0.000 0.518 257 M N 3.592 122.871 119.600 -0.535 0.000 2.125 257 M HA 0.391 4.870 4.480 -0.001 0.000 0.321 257 M C -0.819 175.211 176.300 -0.451 0.000 0.983 257 M CA 0.223 55.179 55.300 -0.573 0.000 0.934 257 M CB 1.673 33.885 32.600 -0.646 0.000 1.542 257 M HN 0.606 nan 8.290 nan 0.000 0.424 258 M N 5.493 124.812 119.600 -0.469 0.000 2.055 258 M HA 0.516 4.995 4.480 -0.001 0.000 0.346 258 M C -0.950 175.207 176.300 -0.239 0.000 1.074 258 M CA -0.240 54.669 55.300 -0.652 0.000 1.009 258 M CB 0.444 32.380 32.600 -1.107 0.000 1.423 258 M HN 0.607 nan 8.290 nan 0.000 0.410 259 I N 1.300 121.829 120.570 -0.067 0.000 2.437 259 I HA 0.638 4.808 4.170 -0.001 0.000 0.298 259 I C 1.042 177.311 176.117 0.253 0.000 0.984 259 I CA -0.220 61.124 61.300 0.073 0.000 1.214 259 I CB 1.787 39.764 38.000 -0.039 0.000 1.365 259 I HN 0.974 nan 8.210 nan 0.000 0.469 260 G N 3.823 112.729 108.800 0.178 0.000 2.205 260 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.180 260 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.180 260 G C -0.152 174.751 174.900 0.005 0.000 1.004 260 G CA -0.191 44.960 45.100 0.084 0.000 0.670 260 G HN 0.509 nan 8.290 nan 0.000 0.496 261 V N 1.489 121.458 119.914 0.092 0.000 2.461 261 V HA 0.649 4.768 4.120 -0.001 0.000 0.275 261 V C 0.419 176.545 176.094 0.053 0.000 1.047 261 V CA -0.109 62.204 62.300 0.021 0.000 0.955 261 V CB 1.346 33.285 31.823 0.193 0.000 0.988 261 V HN 0.271 nan 8.190 nan 0.000 0.471 262 K N 6.733 127.139 120.400 0.010 0.000 2.347 262 K HA 0.372 4.691 4.320 -0.001 0.000 0.262 262 K C -0.278 176.393 176.600 0.120 0.000 1.052 262 K CA -0.727 55.603 56.287 0.071 0.000 0.946 262 K CB 0.427 32.974 32.500 0.077 0.000 1.220 262 K HN 0.578 nan 8.250 nan 0.000 0.450 263 K N 3.152 123.628 120.400 0.127 0.000 2.382 263 K HA 0.033 4.352 4.320 -0.001 0.000 0.275 263 K C -0.073 176.602 176.600 0.125 0.000 1.009 263 K CA 0.103 56.474 56.287 0.140 0.000 0.970 263 K CB 0.477 33.056 32.500 0.132 0.000 0.934 263 K HN 0.632 nan 8.250 nan 0.000 0.479 264 R N -0.118 120.461 120.500 0.133 0.000 3.251 264 R HA -0.166 4.173 4.340 -0.001 0.000 0.249 264 R C 1.080 177.445 176.300 0.109 0.000 0.949 264 R CA 0.531 56.703 56.100 0.119 0.000 0.645 264 R CB -2.340 28.018 30.300 0.097 0.000 1.065 264 R HN 0.584 nan 8.270 nan 0.000 0.452 265 V N -3.337 116.643 119.914 0.109 0.000 3.041 265 V HA -0.010 4.109 4.120 -0.001 0.000 0.260 265 V C 0.891 177.020 176.094 0.058 0.000 1.105 265 V CA 1.401 63.732 62.300 0.052 0.000 1.125 265 V CB -0.093 31.722 31.823 -0.013 0.000 0.730 265 V HN 0.511 nan 8.190 nan 0.000 0.479 266 H N 0.561 119.631 119.070 0.001 0.000 2.488 266 H HA 0.451 5.006 4.556 -0.001 0.000 0.237 266 H C -2.370 172.992 175.328 0.056 0.000 1.395 266 H CA -2.611 53.442 56.048 0.008 0.000 1.491 266 H CB 1.528 31.282 29.762 -0.012 0.000 1.567 266 H HN 0.136 nan 8.280 nan 0.000 0.508 267 P HA -0.219 nan 4.420 nan 0.000 0.217 267 P C 1.416 178.811 177.300 0.157 0.000 1.158 267 P CA 2.462 65.661 63.100 0.166 0.000 0.887 267 P CB 0.187 31.964 31.700 0.128 0.000 0.792 268 A N -1.033 121.921 122.820 0.223 0.000 2.032 268 A HA -0.170 4.149 4.320 -0.001 0.000 0.221 268 A C 2.073 179.804 177.584 0.246 0.000 1.165 268 A CA 1.389 53.552 52.037 0.210 0.000 0.645 268 A CB -1.570 17.583 19.000 0.255 0.000 0.807 268 A HN 0.182 nan 8.150 nan 0.000 0.453 269 L N -1.545 119.691 121.223 0.021 0.000 2.554 269 L HA 0.159 4.498 4.340 -0.001 0.000 0.226 269 L C 1.834 178.885 176.870 0.301 0.000 1.137 269 L CA 0.282 55.199 54.840 0.128 0.000 0.863 269 L CB -0.906 41.063 42.059 -0.150 0.000 0.985 269 L HN 0.647 nan 8.230 nan 0.000 0.451 270 G N 0.877 109.771 108.800 0.156 0.000 2.583 270 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.292 270 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.292 270 G C 0.515 175.457 174.900 0.070 0.000 1.203 270 G CA 0.354 45.488 45.100 0.056 0.000 0.987 270 G HN 0.264 nan 8.290 nan 0.000 0.554 271 D N 1.159 121.572 120.400 0.021 0.000 2.265 271 D HA 0.083 4.722 4.640 -0.001 0.000 0.208 271 D C 2.442 178.684 176.300 -0.096 0.000 0.977 271 D CA 1.625 55.548 54.000 -0.129 0.000 0.871 271 D CB -0.456 40.141 40.800 -0.339 0.000 0.925 271 D HN 0.832 nan 8.370 nan 0.000 0.485 272 A N 0.280 123.180 122.820 0.133 0.000 2.278 272 A HA 0.308 4.627 4.320 -0.001 0.000 0.212 272 A C 1.874 179.578 177.584 0.200 0.000 1.213 272 A CA 0.566 52.764 52.037 0.269 0.000 0.840 272 A CB -0.061 19.098 19.000 0.265 0.000 0.866 272 A HN 0.201 nan 8.150 nan 0.000 0.489 273 G N -0.635 108.265 108.800 0.167 0.000 3.337 273 G HA2 0.272 4.232 3.960 -0.001 0.000 0.246 273 G HA3 0.272 4.232 3.960 -0.001 0.000 0.246 273 G C -0.525 174.484 174.900 0.181 0.000 1.131 273 G CA -0.192 44.998 45.100 0.149 0.000 0.773 273 G HN 0.284 nan 8.290 nan 0.000 0.544 274 D N 0.164 120.708 120.400 0.241 0.000 2.210 274 D HA 0.479 5.119 4.640 -0.001 0.000 0.249 274 D C -0.685 175.718 176.300 0.171 0.000 1.062 274 D CA -0.314 53.816 54.000 0.216 0.000 0.891 274 D CB 2.046 43.038 40.800 0.320 0.000 1.186 274 D HN -0.013 nan 8.370 nan 0.000 0.432 275 F N 1.391 121.285 119.950 -0.093 0.000 2.629 275 F HA 0.646 5.172 4.527 -0.001 0.000 0.386 275 F C -0.775 174.892 175.800 -0.222 0.000 1.135 275 F CA -1.252 56.620 58.000 -0.213 0.000 1.116 275 F CB 1.076 39.979 39.000 -0.161 0.000 1.426 275 F HN 0.090 nan 8.300 nan 0.000 0.501 276 V N 0.404 119.637 119.914 -1.136 0.000 3.040 276 V HA 0.942 5.062 4.120 -0.001 0.000 0.312 276 V C -0.931 174.633 176.094 -0.883 0.000 1.115 276 V CA -0.020 61.787 62.300 -0.822 0.000 0.998 276 V CB 1.781 33.209 31.823 -0.658 0.000 1.042 276 V HN 1.114 nan 8.190 nan 0.000 0.433 277 G N 2.767 111.305 108.800 -0.437 0.000 2.742 277 G HA2 0.444 4.403 3.960 -0.001 0.000 0.296 277 G HA3 0.444 4.403 3.960 -0.001 0.000 0.296 277 G C -1.683 173.121 174.900 -0.160 0.000 1.436 277 G CA -0.820 44.103 45.100 -0.294 0.000 0.928 277 G HN 0.890 nan 8.290 nan 0.000 0.520 278 K N 0.530 120.859 120.400 -0.118 0.000 2.350 278 K HA 0.613 4.933 4.320 -0.001 0.000 0.279 278 K C 0.320 176.905 176.600 -0.024 0.000 1.027 278 K CA -0.176 56.073 56.287 -0.062 0.000 0.969 278 K CB 0.900 33.368 32.500 -0.053 0.000 0.954 278 K HN 0.647 nan 8.250 nan 0.000 0.474 279 A N 2.431 125.255 122.820 0.006 0.000 2.288 279 A HA 0.377 4.697 4.320 -0.001 0.000 0.328 279 A C -0.586 177.020 177.584 0.036 0.000 1.123 279 A CA -0.657 51.404 52.037 0.040 0.000 0.861 279 A CB 1.449 20.499 19.000 0.083 0.000 1.272 279 A HN 0.716 nan 8.150 nan 0.000 0.490 280 S N -0.118 115.608 115.700 0.044 0.000 2.601 280 S HA 0.366 4.836 4.470 -0.001 0.000 0.271 280 S C 0.819 175.447 174.600 0.048 0.000 1.305 280 S CA -0.522 57.697 58.200 0.030 0.000 1.022 280 S CB 0.226 63.433 63.200 0.012 0.000 0.940 280 S HN 0.495 nan 8.310 nan 0.000 0.525 281 M N 2.481 122.105 119.600 0.040 0.000 2.502 281 M HA 0.108 4.587 4.480 -0.001 0.000 0.243 281 M C 0.844 177.173 176.300 0.048 0.000 1.130 281 M CA 0.367 55.694 55.300 0.046 0.000 1.055 281 M CB -1.420 31.203 32.600 0.039 0.000 1.457 281 M HN 0.592 nan 8.290 nan 0.000 0.488 282 D N 1.112 121.535 120.400 0.039 0.000 2.133 282 D HA -0.145 4.495 4.640 -0.001 0.000 0.192 282 D C 2.073 178.408 176.300 0.060 0.000 1.001 282 D CA 1.864 55.890 54.000 0.043 0.000 0.844 282 D CB -0.526 40.284 40.800 0.016 0.000 0.944 282 D HN 0.437 nan 8.370 nan 0.000 0.447 283 G N 0.374 109.188 108.800 0.024 0.000 2.418 283 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 283 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 283 G C 1.848 176.812 174.900 0.106 0.000 1.158 283 G CA 0.904 46.024 45.100 0.033 0.000 0.771 283 G HN 0.269 nan 8.290 nan 0.000 0.545 284 V N 0.742 120.704 119.914 0.080 0.000 2.358 284 V HA -0.153 3.967 4.120 -0.001 0.000 0.246 284 V C 2.556 178.554 176.094 -0.161 0.000 1.047 284 V CA 2.123 64.388 62.300 -0.058 0.000 1.035 284 V CB -0.381 31.414 31.823 -0.046 0.000 0.658 284 V HN 0.560 nan 8.190 nan 0.000 0.452 285 E N -0.208 119.956 120.200 -0.059 0.000 2.058 285 E HA -0.317 4.032 4.350 -0.001 0.000 0.194 285 E C 2.334 178.846 176.600 -0.147 0.000 0.997 285 E CA 1.627 57.977 56.400 -0.084 0.000 0.801 285 E CB -0.271 29.466 29.700 0.062 0.000 0.746 285 E HN 0.744 nan 8.360 nan 0.000 0.450 286 H N 0.886 119.912 119.070 -0.073 0.000 2.321 286 H HA -0.107 4.448 4.556 -0.001 0.000 0.300 286 H C 2.329 177.655 175.328 -0.002 0.000 1.087 286 H CA 1.590 57.643 56.048 0.009 0.000 1.319 286 H CB -0.236 29.610 29.762 0.140 0.000 1.379 286 H HN 0.217 nan 8.280 nan 0.000 0.501 287 L N 0.245 121.529 121.223 0.102 0.000 2.012 287 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 287 L C 3.010 179.703 176.870 -0.294 0.000 1.073 287 L CA 1.002 55.799 54.840 -0.071 0.000 0.748 287 L CB -0.428 41.312 42.059 -0.531 0.000 0.891 287 L HN 0.219 nan 8.230 nan 0.000 0.431 288 L N -0.754 120.083 121.223 -0.643 0.000 2.046 288 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 288 L C 2.827 179.325 176.870 -0.620 0.000 1.077 288 L CA 1.308 55.717 54.840 -0.719 0.000 0.747 288 L CB -0.507 40.875 42.059 -1.128 0.000 0.896 288 L HN 0.257 nan 8.230 nan 0.000 0.432 289 R N 0.048 120.129 120.500 -0.698 0.000 2.062 289 R HA -0.120 4.220 4.340 -0.001 0.000 0.229 289 R C 1.987 178.179 176.300 -0.180 0.000 1.128 289 R CA 1.140 57.056 56.100 -0.307 0.000 0.960 289 R CB 0.089 30.300 30.300 -0.147 0.000 0.855 289 R HN 0.227 nan 8.270 nan 0.000 0.432 290 E N -0.298 119.735 120.200 -0.279 0.000 2.427 290 E HA -0.090 4.259 4.350 -0.001 0.000 0.196 290 E C -0.183 176.092 176.600 -0.543 0.000 1.028 290 E CA 0.703 56.856 56.400 -0.410 0.000 0.864 290 E CB 0.274 29.617 29.700 -0.594 0.000 0.813 290 E HN 0.444 nan 8.360 nan 0.000 0.514 291 Y N 0.582 120.910 120.300 0.047 0.000 2.495 291 Y HA 0.206 4.755 4.550 -0.001 0.000 0.362 291 Y C -1.576 174.422 175.900 0.165 0.000 0.956 291 Y CA -1.974 56.212 58.100 0.144 0.000 1.127 291 Y CB 1.108 39.728 38.460 0.266 0.000 1.173 291 Y HN -0.036 nan 8.280 nan 0.000 0.639 292 P HA -0.154 nan 4.420 nan 0.000 0.223 292 P C 0.034 177.420 177.300 0.143 0.000 1.144 292 P CA 1.448 64.641 63.100 0.155 0.000 0.783 292 P CB 0.355 32.115 31.700 0.101 0.000 0.771 293 N N -1.099 117.681 118.700 0.133 0.000 2.280 293 N HA 0.058 4.798 4.740 -0.001 0.000 0.192 293 N C 0.387 175.922 175.510 0.042 0.000 1.109 293 N CA -0.221 52.875 53.050 0.077 0.000 0.855 293 N CB 0.038 38.564 38.487 0.066 0.000 0.974 293 N HN 0.121 nan 8.380 nan 0.000 0.482 294 N N 1.046 119.792 118.700 0.076 0.000 2.417 294 N HA 0.257 4.997 4.740 -0.001 0.000 0.300 294 N C -0.777 174.596 175.510 -0.228 0.000 1.102 294 N CA -0.169 52.802 53.050 -0.132 0.000 0.886 294 N CB 1.611 39.974 38.487 -0.206 0.000 1.203 294 N HN -0.027 nan 8.380 nan 0.000 0.496 295 K N 1.363 121.514 120.400 -0.415 0.000 2.182 295 K HA 0.474 4.794 4.320 -0.001 0.000 0.262 295 K C -1.081 175.314 176.600 -0.342 0.000 0.957 295 K CA -0.392 55.723 56.287 -0.287 0.000 0.842 295 K CB 1.298 33.451 32.500 -0.577 0.000 1.099 295 K HN 0.350 nan 8.250 nan 0.000 0.438 296 F N 2.489 122.629 119.950 0.316 0.000 2.529 296 F HA 0.406 4.933 4.527 -0.001 0.000 0.320 296 F C -0.274 175.625 175.800 0.166 0.000 1.118 296 F CA -0.906 57.208 58.000 0.188 0.000 0.915 296 F CB 1.223 40.260 39.000 0.061 0.000 1.161 296 F HN 0.104 nan 8.300 nan 0.000 0.445 297 L N 4.379 125.702 121.223 0.166 0.000 2.287 297 L HA 0.745 5.085 4.340 -0.001 0.000 0.287 297 L C -0.939 175.971 176.870 0.066 0.000 1.022 297 L CA -0.780 54.075 54.840 0.025 0.000 0.814 297 L CB 1.596 43.504 42.059 -0.252 0.000 1.217 297 L HN 0.368 nan 8.230 nan 0.000 0.420 298 V N 2.020 121.975 119.914 0.067 0.000 2.789 298 V HA 0.630 4.750 4.120 -0.001 0.000 0.311 298 V C -0.315 175.493 176.094 -0.476 0.000 1.073 298 V CA -0.490 61.719 62.300 -0.153 0.000 0.921 298 V CB 2.304 34.042 31.823 -0.143 0.000 1.009 298 V HN 0.735 nan 8.190 nan 0.000 0.426 299 T N 5.151 119.311 114.554 -0.657 0.000 2.933 299 T HA 0.724 5.074 4.350 -0.001 0.000 0.305 299 T C -1.064 173.463 174.700 -0.288 0.000 1.092 299 T CA -0.400 61.269 62.100 -0.719 0.000 1.008 299 T CB 1.264 69.323 68.868 -1.349 0.000 1.102 299 T HN 0.558 nan 8.240 nan 0.000 0.469 300 M N 4.203 123.780 119.600 -0.039 0.000 2.602 300 M HA 0.460 4.939 4.480 -0.001 0.000 0.312 300 M C 0.127 176.603 176.300 0.293 0.000 1.181 300 M CA -0.869 54.516 55.300 0.142 0.000 0.910 300 M CB 2.258 34.880 32.600 0.036 0.000 1.723 300 M HN 0.499 nan 8.290 nan 0.000 0.459 301 L N 0.802 122.195 121.223 0.284 0.000 2.209 301 L HA 0.204 4.544 4.340 -0.001 0.000 0.207 301 L C 0.987 177.843 176.870 -0.023 0.000 1.094 301 L CA 1.283 56.154 54.840 0.050 0.000 0.790 301 L CB 0.188 42.112 42.059 -0.224 0.000 0.932 301 L HN 0.708 nan 8.230 nan 0.000 0.447 302 S N -0.562 115.119 115.700 -0.031 0.000 2.528 302 S HA 0.091 4.561 4.470 -0.001 0.000 0.277 302 S C 1.470 176.049 174.600 -0.036 0.000 1.297 302 S CA -0.389 57.768 58.200 -0.071 0.000 1.052 302 S CB 0.672 63.821 63.200 -0.084 0.000 0.917 302 S HN 0.380 nan 8.310 nan 0.000 0.492 303 R N 2.607 123.078 120.500 -0.047 0.000 2.105 303 R HA -0.109 4.231 4.340 -0.001 0.000 0.239 303 R C 0.901 177.190 176.300 -0.019 0.000 1.135 303 R CA 1.891 57.976 56.100 -0.025 0.000 0.967 303 R CB -0.210 30.069 30.300 -0.035 0.000 0.861 303 R HN 0.661 nan 8.270 nan 0.000 0.442 304 E N -0.204 119.976 120.200 -0.032 0.000 2.516 304 E HA -0.059 4.290 4.350 -0.001 0.000 0.199 304 E C 0.724 177.322 176.600 -0.003 0.000 1.069 304 E CA 0.754 57.141 56.400 -0.022 0.000 0.876 304 E CB -0.035 29.643 29.700 -0.037 0.000 0.843 304 E HN 0.486 nan 8.360 nan 0.000 0.530 305 N N -0.703 117.996 118.700 -0.003 0.000 2.322 305 N HA -0.029 4.710 4.740 -0.001 0.000 0.181 305 N C 1.242 176.756 175.510 0.005 0.000 1.088 305 N CA -0.132 52.922 53.050 0.006 0.000 0.885 305 N CB 0.367 38.856 38.487 0.003 0.000 1.013 305 N HN -0.028 nan 8.380 nan 0.000 0.472 306 Q N 0.488 120.292 119.800 0.007 0.000 2.061 306 Q HA -0.225 4.114 4.340 -0.001 0.000 0.204 306 Q C 1.802 177.791 176.000 -0.018 0.000 0.984 306 Q CA 1.459 57.256 55.803 -0.009 0.000 0.846 306 Q CB -0.820 27.916 28.738 -0.003 0.000 0.902 306 Q HN 0.582 nan 8.270 nan 0.000 0.421 307 H N 1.539 120.577 119.070 -0.054 0.000 2.326 307 H HA -0.103 4.452 4.556 -0.001 0.000 0.301 307 H C 1.767 177.063 175.328 -0.053 0.000 1.081 307 H CA 1.810 57.823 56.048 -0.060 0.000 1.334 307 H CB 0.324 30.055 29.762 -0.051 0.000 1.385 307 H HN 0.511 nan 8.280 nan 0.000 0.504 308 E N 0.497 120.711 120.200 0.023 0.000 2.204 308 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 308 E C 2.366 178.919 176.600 -0.079 0.000 0.989 308 E CA 0.785 57.174 56.400 -0.019 0.000 0.824 308 E CB -0.391 29.341 29.700 0.054 0.000 0.756 308 E HN 0.336 nan 8.360 nan 0.000 0.477 309 L N 1.376 122.552 121.223 -0.079 0.000 2.093 309 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 309 L C 2.248 179.046 176.870 -0.121 0.000 1.085 309 L CA 1.151 55.943 54.840 -0.079 0.000 0.755 309 L CB -0.187 41.825 42.059 -0.078 0.000 0.904 309 L HN 0.003 nan 8.230 nan 0.000 0.435 310 V N -1.151 118.646 119.914 -0.195 0.000 2.343 310 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 310 V C 2.502 178.466 176.094 -0.217 0.000 1.051 310 V CA 1.614 63.771 62.300 -0.238 0.000 1.036 310 V CB -0.504 31.125 31.823 -0.323 0.000 0.654 310 V HN 0.338 nan 8.190 nan 0.000 0.451 311 V N -0.327 119.430 119.914 -0.261 0.000 2.407 311 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 311 V C 2.367 178.405 176.094 -0.093 0.000 1.055 311 V CA 1.843 64.031 62.300 -0.187 0.000 1.049 311 V CB -0.576 31.143 31.823 -0.173 0.000 0.662 311 V HN 0.487 nan 8.190 nan 0.000 0.455 312 L N 0.913 122.108 121.223 -0.047 0.000 2.083 312 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 312 L C 2.434 179.349 176.870 0.076 0.000 1.083 312 L CA 2.218 57.089 54.840 0.051 0.000 0.752 312 L CB -0.899 41.206 42.059 0.077 0.000 0.899 312 L HN 0.238 nan 8.230 nan 0.000 0.433 313 A N -0.717 122.108 122.820 0.009 0.000 1.969 313 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 313 A C 2.386 179.966 177.584 -0.007 0.000 1.169 313 A CA 1.460 53.509 52.037 0.020 0.000 0.635 313 A CB -0.499 18.482 19.000 -0.030 0.000 0.810 313 A HN 0.482 nan 8.150 nan 0.000 0.445 314 R N -0.407 120.057 120.500 -0.060 0.000 2.148 314 R HA -0.064 4.275 4.340 -0.001 0.000 0.227 314 R C 1.675 177.899 176.300 -0.127 0.000 1.103 314 R CA 1.215 57.266 56.100 -0.082 0.000 0.983 314 R CB -0.088 30.153 30.300 -0.099 0.000 0.874 314 R HN 0.340 nan 8.270 nan 0.000 0.451 315 K N -0.237 120.050 120.400 -0.189 0.000 2.186 315 K HA 0.041 4.361 4.320 -0.001 0.000 0.202 315 K C 0.051 176.214 176.600 -0.727 0.000 1.052 315 K CA 0.799 56.797 56.287 -0.482 0.000 0.965 315 K CB 0.319 32.440 32.500 -0.631 0.000 0.746 315 K HN 0.021 nan 8.250 nan 0.000 0.457 316 F N 0.699 120.657 119.950 0.015 0.000 2.499 316 F HA 0.123 4.649 4.527 -0.001 0.000 0.333 316 F C 1.189 177.036 175.800 0.078 0.000 1.138 316 F CA -0.854 57.173 58.000 0.046 0.000 0.945 316 F CB 1.778 40.806 39.000 0.046 0.000 1.181 316 F HN -0.137 nan 8.300 nan 0.000 0.435 317 S N 0.289 116.137 115.700 0.246 0.000 2.515 317 S HA -0.157 4.312 4.470 -0.001 0.000 0.231 317 S C 1.193 175.980 174.600 0.312 0.000 0.987 317 S CA 0.915 59.246 58.200 0.218 0.000 0.936 317 S CB -0.447 62.847 63.200 0.157 0.000 0.766 317 S HN 0.701 nan 8.310 nan 0.000 0.528 318 N N 1.169 120.082 118.700 0.355 0.000 2.370 318 N HA 0.130 4.870 4.740 -0.001 0.000 0.198 318 N C -0.134 175.705 175.510 0.548 0.000 1.156 318 N CA -0.220 53.077 53.050 0.411 0.000 0.839 318 N CB -0.259 38.430 38.487 0.337 0.000 0.989 318 N HN 0.475 nan 8.380 nan 0.000 0.468 319 L N 0.645 122.111 121.223 0.405 0.000 2.313 319 L HA 0.627 4.966 4.340 -0.001 0.000 0.283 319 L C -1.022 175.857 176.870 0.015 0.000 1.013 319 L CA -0.754 54.241 54.840 0.259 0.000 0.816 319 L CB 1.723 43.888 42.059 0.175 0.000 1.236 319 L HN 0.038 nan 8.230 nan 0.000 0.419 320 M N 7.214 126.650 119.600 -0.273 0.000 2.134 320 M HA 0.536 5.016 4.480 -0.001 0.000 0.310 320 M C -1.143 175.040 176.300 -0.196 0.000 0.966 320 M CA -0.788 54.193 55.300 -0.531 0.000 0.922 320 M CB 1.167 32.838 32.600 -1.549 0.000 1.537 320 M HN 0.530 nan 8.290 nan 0.000 0.424 321 I N 2.670 123.202 120.570 -0.064 0.000 2.499 321 I HA 0.838 5.008 4.170 -0.001 0.000 0.296 321 I C -1.282 174.906 176.117 0.119 0.000 0.992 321 I CA -0.723 60.570 61.300 -0.012 0.000 1.297 321 I CB 1.140 39.103 38.000 -0.062 0.000 1.410 321 I HN 0.776 nan 8.210 nan 0.000 0.507 322 F N 2.605 122.515 119.950 -0.065 0.000 2.601 322 F HA 0.895 5.422 4.527 -0.001 0.000 0.309 322 F C 0.149 176.012 175.800 0.105 0.000 1.089 322 F CA -0.359 57.639 58.000 -0.003 0.000 0.940 322 F CB 0.798 39.727 39.000 -0.117 0.000 1.273 322 F HN 1.058 nan 8.300 nan 0.000 0.450 323 G N 0.568 109.569 108.800 0.333 0.000 2.914 323 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.254 323 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.254 323 G C -1.070 173.910 174.900 0.134 0.000 1.449 323 G CA -0.422 44.879 45.100 0.335 0.000 0.925 323 G HN 1.363 nan 8.290 nan 0.000 0.555 324 C N -0.187 119.159 119.300 0.077 0.000 2.409 324 C HA 0.422 4.881 4.460 -0.001 0.000 0.297 324 C C 0.161 175.243 174.990 0.154 0.000 1.083 324 C CA -0.736 58.340 59.018 0.096 0.000 1.515 324 C CB -0.530 27.245 27.740 0.059 0.000 1.869 324 C HN 0.647 nan 8.230 nan 0.000 0.413 325 W N 4.507 125.841 121.300 0.056 0.000 2.303 325 W HA 0.387 5.046 4.660 -0.001 0.000 0.318 325 W C 0.778 177.435 176.519 0.230 0.000 1.362 325 W CA 0.159 57.603 57.345 0.166 0.000 1.234 325 W CB 0.107 29.689 29.460 0.203 0.000 1.248 325 W HN 0.856 nan 8.180 nan 0.000 0.546 326 W N 4.227 125.492 121.300 -0.058 0.000 2.351 326 W HA -0.462 4.197 4.660 -0.001 0.000 0.308 326 W C 1.431 177.726 176.519 -0.372 0.000 1.817 326 W CA 2.356 59.450 57.345 -0.417 0.000 1.945 326 W CB -2.168 26.566 29.460 -1.210 0.000 0.927 326 W HN 0.385 nan 8.180 nan 0.000 0.458 327 F N 0.691 120.606 119.950 -0.059 0.000 2.641 327 F HA -0.101 4.426 4.527 -0.001 0.000 0.298 327 F C 2.369 178.136 175.800 -0.056 0.000 1.146 327 F CA 1.641 59.537 58.000 -0.173 0.000 1.464 327 F CB -0.859 37.900 39.000 -0.402 0.000 1.101 327 F HN -0.147 nan 8.300 nan 0.000 0.585 328 M N -1.215 118.460 119.600 0.125 0.000 2.510 328 M HA 0.063 4.542 4.480 -0.001 0.000 0.256 328 M C 0.787 177.160 176.300 0.122 0.000 1.132 328 M CA 0.506 55.873 55.300 0.112 0.000 1.105 328 M CB -0.826 31.843 32.600 0.115 0.000 1.375 328 M HN -0.060 nan 8.290 nan 0.000 0.477 329 N N 2.915 121.708 118.700 0.155 0.000 3.243 329 N HA 0.054 4.793 4.740 -0.001 0.000 0.310 329 N C -1.169 174.451 175.510 0.184 0.000 1.313 329 N CA 0.189 53.330 53.050 0.153 0.000 1.204 329 N CB -0.239 38.354 38.487 0.176 0.000 1.483 329 N HN 0.190 nan 8.380 nan 0.000 0.553 330 N N 0.081 118.868 118.700 0.144 0.000 2.249 330 N HA 0.242 4.982 4.740 -0.001 0.000 0.296 330 N C -1.984 173.586 175.510 0.100 0.000 1.051 330 N CA -1.284 51.847 53.050 0.135 0.000 0.815 330 N CB 2.324 40.881 38.487 0.116 0.000 1.487 330 N HN -0.034 nan 8.380 nan 0.000 0.475 331 P HA -0.258 nan 4.420 nan 0.000 0.219 331 P C 1.200 178.531 177.300 0.052 0.000 1.161 331 P CA 1.679 64.820 63.100 0.068 0.000 0.909 331 P CB 0.512 32.240 31.700 0.046 0.000 0.793 332 E N -0.827 119.398 120.200 0.042 0.000 2.085 332 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 332 E C 1.805 178.423 176.600 0.031 0.000 0.994 332 E CA 1.373 57.791 56.400 0.029 0.000 0.801 332 E CB -0.801 28.911 29.700 0.020 0.000 0.743 332 E HN 0.087 nan 8.360 nan 0.000 0.453 333 I N 0.265 120.859 120.570 0.040 0.000 2.400 333 I HA -0.108 4.062 4.170 -0.001 0.000 0.248 333 I C 2.387 178.530 176.117 0.044 0.000 1.109 333 I CA 0.715 62.038 61.300 0.038 0.000 1.425 333 I CB -0.943 37.085 38.000 0.046 0.000 1.094 333 I HN 0.183 nan 8.210 nan 0.000 0.425 334 I N 1.232 121.837 120.570 0.058 0.000 2.208 334 I HA -0.361 3.809 4.170 -0.001 0.000 0.245 334 I C 2.520 178.672 176.117 0.059 0.000 1.097 334 I CA 1.597 62.935 61.300 0.064 0.000 1.363 334 I CB -0.540 37.505 38.000 0.077 0.000 1.051 334 I HN 0.396 nan 8.210 nan 0.000 0.413 335 N N 1.319 120.050 118.700 0.052 0.000 2.058 335 N HA -0.264 4.475 4.740 -0.001 0.000 0.191 335 N C 1.899 177.427 175.510 0.030 0.000 1.037 335 N CA 2.044 55.121 53.050 0.045 0.000 0.848 335 N CB -0.056 38.455 38.487 0.039 0.000 1.021 335 N HN 0.557 nan 8.380 nan 0.000 0.422 336 E N 0.423 120.636 120.200 0.021 0.000 2.110 336 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 336 E C 2.203 178.801 176.600 -0.003 0.000 0.988 336 E CA 1.030 57.435 56.400 0.009 0.000 0.804 336 E CB -0.361 29.343 29.700 0.006 0.000 0.745 336 E HN 0.422 nan 8.360 nan 0.000 0.458 337 M N 0.910 120.510 119.600 0.000 0.000 2.086 337 M HA -0.106 4.374 4.480 -0.001 0.000 0.261 337 M C 2.295 178.558 176.300 -0.062 0.000 1.067 337 M CA 2.108 57.392 55.300 -0.026 0.000 1.116 337 M CB -0.246 32.352 32.600 -0.004 0.000 1.348 337 M HN 0.170 nan 8.290 nan 0.000 0.407 338 T N -0.103 114.451 114.554 -0.000 0.000 2.821 338 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 338 T C 1.810 176.501 174.700 -0.015 0.000 1.046 338 T CA 1.110 63.232 62.100 0.037 0.000 1.139 338 T CB -0.213 68.731 68.868 0.125 0.000 0.871 338 T HN 0.365 nan 8.240 nan 0.000 0.454 339 R N 0.444 120.935 120.500 -0.015 0.000 2.073 339 R HA 0.148 4.487 4.340 -0.001 0.000 0.229 339 R C 2.608 178.867 176.300 -0.069 0.000 1.120 339 R CA 1.132 57.218 56.100 -0.025 0.000 0.967 339 R CB -0.277 30.020 30.300 -0.006 0.000 0.862 339 R HN 0.377 nan 8.270 nan 0.000 0.436 340 M N -0.106 119.446 119.600 -0.081 0.000 2.117 340 M HA -0.161 4.318 4.480 -0.001 0.000 0.262 340 M C 2.217 178.391 176.300 -0.211 0.000 1.065 340 M CA 1.718 56.962 55.300 -0.094 0.000 1.114 340 M CB -0.254 32.318 32.600 -0.048 0.000 1.361 340 M HN 0.090 nan 8.290 nan 0.000 0.408 341 R N -0.085 120.202 120.500 -0.354 0.000 2.073 341 R HA -0.104 4.235 4.340 -0.001 0.000 0.234 341 R C 2.232 178.171 176.300 -0.602 0.000 1.134 341 R CA 1.609 57.293 56.100 -0.693 0.000 0.952 341 R CB -0.371 29.136 30.300 -1.322 0.000 0.850 341 R HN 0.355 nan 8.270 nan 0.000 0.433 342 M N 0.852 120.252 119.600 -0.333 0.000 2.175 342 M HA -0.151 4.329 4.480 -0.001 0.000 0.264 342 M C 1.547 177.810 176.300 -0.062 0.000 1.063 342 M CA 1.689 56.975 55.300 -0.022 0.000 1.119 342 M CB 0.166 32.820 32.600 0.089 0.000 1.377 342 M HN 0.087 nan 8.290 nan 0.000 0.415 343 E N -0.269 119.877 120.200 -0.090 0.000 2.153 343 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 343 E C 1.702 178.255 176.600 -0.078 0.000 0.988 343 E CA 1.395 57.753 56.400 -0.070 0.000 0.811 343 E CB -0.001 29.666 29.700 -0.055 0.000 0.746 343 E HN 0.584 nan 8.360 nan 0.000 0.466 344 M N -0.564 118.968 119.600 -0.114 0.000 2.414 344 M HA 0.133 4.612 4.480 -0.001 0.000 0.251 344 M C 1.013 177.252 176.300 -0.102 0.000 1.116 344 M CA 0.356 55.589 55.300 -0.111 0.000 1.056 344 M CB 0.856 33.368 32.600 -0.146 0.000 1.388 344 M HN 0.037 nan 8.290 nan 0.000 0.487 345 L N -1.391 119.772 121.223 -0.100 0.000 3.086 345 L HA 0.414 4.754 4.340 -0.001 0.000 0.274 345 L C 1.245 178.149 176.870 0.056 0.000 1.184 345 L CA -0.108 54.713 54.840 -0.031 0.000 1.002 345 L CB 0.260 42.290 42.059 -0.048 0.000 1.383 345 L HN 0.420 nan 8.230 nan 0.000 0.582 346 G N 1.942 110.765 108.800 0.038 0.000 2.596 346 G HA2 -0.436 3.524 3.960 -0.001 0.000 0.304 346 G HA3 -0.436 3.524 3.960 -0.001 0.000 0.304 346 G C 0.766 175.760 174.900 0.155 0.000 1.189 346 G CA 0.860 45.990 45.100 0.050 0.000 0.986 346 G HN 0.329 nan 8.290 nan 0.000 0.548 347 T N -2.026 112.581 114.554 0.088 0.000 3.134 347 T HA 0.493 4.842 4.350 -0.001 0.000 0.260 347 T C 1.376 176.078 174.700 0.003 0.000 1.027 347 T CA 1.161 63.269 62.100 0.014 0.000 0.913 347 T CB 0.108 68.951 68.868 -0.043 0.000 1.046 347 T HN 1.661 nan 8.240 nan 0.000 0.553 348 S N 1.744 117.527 115.700 0.137 0.000 3.456 348 S HA 0.529 4.999 4.470 -0.001 0.000 0.229 348 S C -0.126 174.596 174.600 0.204 0.000 1.416 348 S CA -1.100 57.167 58.200 0.112 0.000 1.197 348 S CB -1.601 61.653 63.200 0.090 0.000 1.201 348 S HN 0.678 nan 8.310 nan 0.000 0.479 349 F N -2.163 117.750 119.950 -0.062 0.000 2.741 349 F HA 0.675 5.201 4.527 -0.001 0.000 0.313 349 F C -1.634 174.127 175.800 -0.064 0.000 1.153 349 F CA -1.770 56.187 58.000 -0.073 0.000 0.931 349 F CB 0.793 39.751 39.000 -0.070 0.000 1.335 349 F HN -0.046 nan 8.300 nan 0.000 0.460 350 I N 2.479 123.047 120.570 -0.004 0.000 2.337 350 I HA 0.304 4.473 4.170 -0.001 0.000 0.285 350 I C -1.942 174.207 176.117 0.054 0.000 1.041 350 I CA -1.909 59.336 61.300 -0.091 0.000 1.199 350 I CB 1.518 39.548 38.000 0.050 0.000 1.370 350 I HN 0.434 nan 8.210 nan 0.000 0.470 351 P HA -0.161 nan 4.420 nan 0.000 0.216 351 P C 0.110 177.508 177.300 0.163 0.000 1.153 351 P CA 1.308 64.459 63.100 0.084 0.000 0.858 351 P CB 0.234 31.826 31.700 -0.180 0.000 0.789 352 Q N -2.192 117.713 119.800 0.175 0.000 2.534 352 Q HA 0.344 4.683 4.340 -0.001 0.000 0.290 352 Q C -1.471 174.730 176.000 0.334 0.000 0.991 352 Q CA -0.819 55.091 55.803 0.178 0.000 0.783 352 Q CB 1.114 29.871 28.738 0.032 0.000 1.470 352 Q HN 0.233 nan 8.270 nan 0.000 0.406 353 H N -0.986 118.135 119.070 0.085 0.000 3.016 353 H HA 0.474 5.029 4.556 -0.001 0.000 0.362 353 H C -0.553 174.692 175.328 -0.138 0.000 1.233 353 H CA -0.130 56.001 56.048 0.137 0.000 1.124 353 H CB 1.439 31.342 29.762 0.236 0.000 1.850 353 H HN 0.686 nan 8.280 nan 0.000 0.549 354 S N -0.033 115.587 115.700 -0.133 0.000 2.439 354 S HA -0.093 4.376 4.470 -0.001 0.000 0.224 354 S C 0.630 175.141 174.600 -0.148 0.000 1.029 354 S CA 0.877 58.863 58.200 -0.356 0.000 0.946 354 S CB -0.245 62.770 63.200 -0.307 0.000 0.797 354 S HN 0.782 nan 8.310 nan 0.000 0.504 355 D N 1.209 121.656 120.400 0.077 0.000 3.012 355 D HA -0.151 4.488 4.640 -0.001 0.000 0.222 355 D C 0.191 176.511 176.300 0.033 0.000 1.167 355 D CA 0.872 54.953 54.000 0.134 0.000 0.854 355 D CB -1.517 39.493 40.800 0.351 0.000 1.107 355 D HN 0.775 nan 8.370 nan 0.000 0.421 356 A N 0.135 122.901 122.820 -0.090 0.000 2.546 356 A HA 0.169 4.489 4.320 -0.001 0.000 0.243 356 A C 1.412 178.964 177.584 -0.054 0.000 1.063 356 A CA 0.657 52.601 52.037 -0.155 0.000 0.757 356 A CB 0.390 19.297 19.000 -0.156 0.000 0.991 356 A HN 0.353 nan 8.150 nan 0.000 0.503 357 R N 1.190 121.628 120.500 -0.103 0.000 2.279 357 R HA 0.198 4.537 4.340 -0.001 0.000 0.195 357 R C -0.614 175.690 176.300 0.007 0.000 0.905 357 R CA 0.338 56.453 56.100 0.026 0.000 1.044 357 R CB 0.599 30.967 30.300 0.112 0.000 1.056 357 R HN 0.530 nan 8.270 nan 0.000 0.535 358 V N 1.806 121.654 119.914 -0.110 0.000 2.448 358 V HA 0.041 4.161 4.120 -0.001 0.000 0.295 358 V C 0.923 177.017 176.094 0.001 0.000 1.025 358 V CA -0.426 61.858 62.300 -0.028 0.000 0.859 358 V CB 1.835 33.602 31.823 -0.093 0.000 0.988 358 V HN 0.080 nan 8.190 nan 0.000 0.431 359 L N 4.625 125.918 121.223 0.118 0.000 2.011 359 L HA -0.235 4.104 4.340 -0.001 0.000 0.225 359 L C 2.233 179.157 176.870 0.089 0.000 1.084 359 L CA 2.385 57.301 54.840 0.127 0.000 0.791 359 L CB -0.405 41.771 42.059 0.196 0.000 0.898 359 L HN 0.813 nan 8.230 nan 0.000 0.440 360 E N -0.565 119.713 120.200 0.131 0.000 2.209 360 E HA -0.250 4.099 4.350 -0.001 0.000 0.196 360 E C 2.149 178.773 176.600 0.041 0.000 0.993 360 E CA 1.301 57.774 56.400 0.123 0.000 0.819 360 E CB -0.294 29.518 29.700 0.187 0.000 0.745 360 E HN 0.674 nan 8.360 nan 0.000 0.477 361 Q N -0.076 119.689 119.800 -0.057 0.000 2.297 361 Q HA -0.129 4.210 4.340 -0.001 0.000 0.208 361 Q C 1.970 177.775 176.000 -0.324 0.000 0.981 361 Q CA 0.731 56.387 55.803 -0.245 0.000 0.876 361 Q CB -0.196 28.282 28.738 -0.434 0.000 0.921 361 Q HN 0.368 nan 8.270 nan 0.000 0.446 362 L N 0.240 121.396 121.223 -0.112 0.000 2.127 362 L HA -0.229 4.110 4.340 -0.001 0.000 0.211 362 L C 2.169 179.096 176.870 0.095 0.000 1.089 362 L CA 0.983 55.848 54.840 0.042 0.000 0.757 362 L CB -0.438 41.694 42.059 0.121 0.000 0.899 362 L HN 0.306 nan 8.230 nan 0.000 0.434 363 I N -0.826 119.768 120.570 0.039 0.000 2.133 363 I HA -0.335 3.834 4.170 -0.001 0.000 0.238 363 I C 2.648 178.808 176.117 0.073 0.000 1.074 363 I CA 1.725 63.075 61.300 0.083 0.000 1.342 363 I CB -0.504 37.541 38.000 0.075 0.000 1.053 363 I HN 0.278 nan 8.210 nan 0.000 0.404 364 Y N 1.424 121.645 120.300 -0.131 0.000 2.263 364 Y HA -0.051 4.498 4.550 -0.001 0.000 0.292 364 Y C 2.276 177.912 175.900 -0.440 0.000 1.130 364 Y CA 0.851 58.721 58.100 -0.383 0.000 1.179 364 Y CB -0.766 37.391 38.460 -0.505 0.000 0.998 364 Y HN -0.161 nan 8.280 nan 0.000 0.532 365 K N 0.394 120.281 120.400 -0.855 0.000 2.020 365 K HA -0.167 4.152 4.320 -0.001 0.000 0.212 365 K C 1.640 177.909 176.600 -0.550 0.000 1.050 365 K CA 2.509 58.294 56.287 -0.837 0.000 0.929 365 K CB -0.839 31.094 32.500 -0.944 0.000 0.714 365 K HN 0.589 nan 8.250 nan 0.000 0.443 366 W N -0.581 120.662 121.300 -0.095 0.000 2.476 366 W HA -0.056 4.603 4.660 -0.001 0.000 0.281 366 W C 2.435 178.997 176.519 0.072 0.000 1.230 366 W CA 0.963 58.307 57.345 -0.002 0.000 1.287 366 W CB -0.287 29.149 29.460 -0.040 0.000 1.108 366 W HN 0.307 nan 8.180 nan 0.000 0.567 367 H N -0.368 118.816 119.070 0.190 0.000 2.326 367 H HA -0.152 4.403 4.556 -0.001 0.000 0.301 367 H C 1.777 177.277 175.328 0.288 0.000 1.081 367 H CA 2.311 58.484 56.048 0.210 0.000 1.334 367 H CB -0.560 29.321 29.762 0.199 0.000 1.385 367 H HN 0.301 nan 8.280 nan 0.000 0.504 368 H N -0.629 118.648 119.070 0.346 0.000 2.353 368 H HA -0.060 4.496 4.556 -0.001 0.000 0.300 368 H C 2.512 177.918 175.328 0.130 0.000 1.090 368 H CA 0.979 57.181 56.048 0.257 0.000 1.327 368 H CB 0.404 30.328 29.762 0.270 0.000 1.383 368 H HN 0.274 nan 8.280 nan 0.000 0.508 369 S N 0.330 116.162 115.700 0.221 0.000 2.387 369 S HA -0.072 4.397 4.470 -0.001 0.000 0.226 369 S C 1.919 176.654 174.600 0.225 0.000 1.026 369 S CA 0.748 59.043 58.200 0.158 0.000 0.972 369 S CB 0.069 63.281 63.200 0.019 0.000 0.814 369 S HN 0.334 nan 8.310 nan 0.000 0.477 370 K N 1.417 121.961 120.400 0.240 0.000 2.097 370 K HA -0.088 4.232 4.320 -0.001 0.000 0.206 370 K C 2.546 179.222 176.600 0.128 0.000 1.049 370 K CA 1.559 57.975 56.287 0.215 0.000 0.933 370 K CB -0.277 32.269 32.500 0.076 0.000 0.717 370 K HN 0.477 nan 8.250 nan 0.000 0.442 371 S N 1.111 116.839 115.700 0.047 0.000 2.382 371 S HA -0.134 4.335 4.470 -0.001 0.000 0.228 371 S C 2.026 176.671 174.600 0.076 0.000 1.027 371 S CA 0.973 59.188 58.200 0.025 0.000 0.991 371 S CB -0.525 62.661 63.200 -0.023 0.000 0.823 371 S HN 0.198 nan 8.310 nan 0.000 0.469 372 I N 1.330 121.960 120.570 0.101 0.000 2.233 372 I HA -0.076 4.093 4.170 -0.001 0.000 0.243 372 I C 2.422 178.611 176.117 0.120 0.000 1.093 372 I CA 1.218 62.578 61.300 0.100 0.000 1.380 372 I CB -0.393 37.668 38.000 0.101 0.000 1.067 372 I HN 0.263 nan 8.210 nan 0.000 0.413 373 I N 0.946 121.616 120.570 0.167 0.000 2.286 373 I HA -0.279 3.890 4.170 -0.001 0.000 0.248 373 I C 2.797 179.018 176.117 0.175 0.000 1.115 373 I CA 1.258 62.670 61.300 0.186 0.000 1.392 373 I CB -0.459 37.710 38.000 0.282 0.000 1.065 373 I HN 0.184 nan 8.210 nan 0.000 0.418 374 A N 0.597 123.523 122.820 0.177 0.000 1.902 374 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 374 A C 2.194 179.851 177.584 0.122 0.000 1.181 374 A CA 1.729 53.858 52.037 0.154 0.000 0.623 374 A CB -0.548 18.522 19.000 0.117 0.000 0.818 374 A HN 0.454 nan 8.150 nan 0.000 0.443 375 E N -0.357 119.903 120.200 0.098 0.000 2.077 375 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 375 E C 1.989 178.633 176.600 0.074 0.000 0.989 375 E CA 1.304 57.752 56.400 0.080 0.000 0.800 375 E CB -0.305 29.434 29.700 0.065 0.000 0.746 375 E HN 0.412 nan 8.360 nan 0.000 0.452 376 V N 1.539 121.497 119.914 0.072 0.000 2.295 376 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 376 V C 2.357 178.464 176.094 0.022 0.000 1.049 376 V CA 1.552 63.882 62.300 0.050 0.000 1.024 376 V CB -0.519 31.340 31.823 0.061 0.000 0.648 376 V HN 0.256 nan 8.190 nan 0.000 0.447 377 L N -0.677 120.567 121.223 0.035 0.000 2.042 377 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 377 L C 2.396 179.304 176.870 0.064 0.000 1.076 377 L CA 1.766 56.586 54.840 -0.034 0.000 0.749 377 L CB -0.521 41.601 42.059 0.104 0.000 0.893 377 L HN 0.268 nan 8.230 nan 0.000 0.432 378 I N -0.306 120.358 120.570 0.157 0.000 2.163 378 I HA -0.332 3.837 4.170 -0.001 0.000 0.243 378 I C 2.136 178.334 176.117 0.136 0.000 1.085 378 I CA 1.338 62.751 61.300 0.188 0.000 1.347 378 I CB -0.418 37.663 38.000 0.134 0.000 1.044 378 I HN 0.300 nan 8.210 nan 0.000 0.408 379 D N 0.755 121.200 120.400 0.076 0.000 2.117 379 D HA -0.154 4.485 4.640 -0.001 0.000 0.198 379 D C 2.179 178.499 176.300 0.033 0.000 0.982 379 D CA 1.213 55.244 54.000 0.052 0.000 0.828 379 D CB -0.104 40.715 40.800 0.032 0.000 0.967 379 D HN 0.121 nan 8.370 nan 0.000 0.464 380 K N -0.110 120.275 120.400 -0.024 0.000 2.097 380 K HA -0.086 4.234 4.320 -0.001 0.000 0.205 380 K C 2.001 178.571 176.600 -0.049 0.000 1.050 380 K CA 0.693 56.929 56.287 -0.085 0.000 0.938 380 K CB -0.548 31.840 32.500 -0.188 0.000 0.718 380 K HN 0.217 nan 8.250 nan 0.000 0.442 381 Y N 0.734 121.065 120.300 0.052 0.000 2.242 381 Y HA -0.150 4.400 4.550 -0.001 0.000 0.291 381 Y C 2.063 178.006 175.900 0.072 0.000 1.137 381 Y CA 1.248 59.389 58.100 0.068 0.000 1.181 381 Y CB -0.615 37.892 38.460 0.078 0.000 0.989 381 Y HN 0.157 nan 8.280 nan 0.000 0.527 382 D N -0.167 120.365 120.400 0.219 0.000 2.144 382 D HA -0.164 4.476 4.640 -0.001 0.000 0.199 382 D C 1.500 177.868 176.300 0.114 0.000 0.984 382 D CA 1.480 55.568 54.000 0.146 0.000 0.834 382 D CB -0.104 40.761 40.800 0.108 0.000 0.955 382 D HN 0.171 nan 8.370 nan 0.000 0.465 383 D N -0.327 120.126 120.400 0.088 0.000 2.144 383 D HA -0.101 4.539 4.640 -0.001 0.000 0.199 383 D C 2.134 178.478 176.300 0.073 0.000 0.984 383 D CA 0.886 54.923 54.000 0.061 0.000 0.834 383 D CB -0.250 40.567 40.800 0.029 0.000 0.955 383 D HN 0.566 nan 8.370 nan 0.000 0.465 384 I N -2.306 118.322 120.570 0.097 0.000 2.876 384 I HA -0.033 4.137 4.170 -0.001 0.000 0.264 384 I C 1.868 178.113 176.117 0.212 0.000 1.204 384 I CA 0.244 61.614 61.300 0.117 0.000 1.485 384 I CB -0.097 37.931 38.000 0.046 0.000 1.103 384 I HN -0.156 nan 8.210 nan 0.000 0.446 385 L N 1.209 122.554 121.223 0.203 0.000 2.093 385 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 385 L C 2.644 179.594 176.870 0.133 0.000 1.085 385 L CA 1.787 56.737 54.840 0.182 0.000 0.755 385 L CB -0.948 41.200 42.059 0.149 0.000 0.904 385 L HN 0.292 nan 8.230 nan 0.000 0.435 386 Q N -0.976 118.889 119.800 0.109 0.000 2.224 386 Q HA 0.032 4.371 4.340 -0.001 0.000 0.203 386 Q C 2.007 178.057 176.000 0.084 0.000 0.970 386 Q CA 1.256 57.108 55.803 0.081 0.000 0.865 386 Q CB -0.417 28.359 28.738 0.064 0.000 0.922 386 Q HN 0.529 nan 8.270 nan 0.000 0.445 387 A N -0.387 122.496 122.820 0.105 0.000 2.259 387 A HA 0.373 4.693 4.320 -0.001 0.000 0.208 387 A C 1.413 179.081 177.584 0.140 0.000 1.201 387 A CA 0.907 53.007 52.037 0.106 0.000 0.824 387 A CB -0.205 18.852 19.000 0.096 0.000 0.838 387 A HN 0.400 nan 8.150 nan 0.000 0.485 388 G N -2.488 106.399 108.800 0.144 0.000 2.175 388 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.244 388 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.244 388 G C 0.103 175.105 174.900 0.171 0.000 0.982 388 G CA 0.044 45.222 45.100 0.129 0.000 0.641 388 G HN 0.615 nan 8.290 nan 0.000 0.527 389 W N 1.588 122.908 121.300 0.034 0.000 2.202 389 W HA 0.561 5.221 4.660 -0.001 0.000 0.332 389 W C -0.096 176.444 176.519 0.034 0.000 1.263 389 W CA 0.111 57.478 57.345 0.038 0.000 1.223 389 W CB 0.620 30.111 29.460 0.052 0.000 1.128 389 W HN 0.189 nan 8.180 nan 0.000 0.573 390 E N 2.657 122.549 120.200 -0.512 0.000 2.156 390 E HA 0.292 4.641 4.350 -0.001 0.000 0.279 390 E C -1.030 175.459 176.600 -0.184 0.000 0.965 390 E CA -0.545 55.679 56.400 -0.293 0.000 0.789 390 E CB 2.108 31.607 29.700 -0.335 0.000 1.098 390 E HN 0.082 nan 8.360 nan 0.000 0.397 391 V N 3.133 123.055 119.914 0.013 0.000 2.495 391 V HA 0.307 4.427 4.120 -0.001 0.000 0.298 391 V C 0.304 176.371 176.094 -0.045 0.000 1.031 391 V CA -0.723 61.610 62.300 0.055 0.000 0.871 391 V CB 1.698 33.544 31.823 0.039 0.000 0.988 391 V HN 0.804 nan 8.190 nan 0.000 0.432 392 T N -0.031 114.498 114.554 -0.042 0.000 2.943 392 T HA 0.391 4.740 4.350 -0.001 0.000 0.284 392 T C 0.862 175.519 174.700 -0.072 0.000 1.015 392 T CA -0.400 61.669 62.100 -0.053 0.000 1.042 392 T CB 1.949 70.798 68.868 -0.032 0.000 1.055 392 T HN 0.733 nan 8.240 nan 0.000 0.500 393 E N 0.133 120.297 120.200 -0.060 0.000 2.153 393 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 393 E C 1.631 178.211 176.600 -0.034 0.000 0.988 393 E CA 0.995 57.361 56.400 -0.058 0.000 0.811 393 E CB 0.055 29.732 29.700 -0.038 0.000 0.746 393 E HN 0.648 nan 8.360 nan 0.000 0.466 394 E N 0.708 120.898 120.200 -0.017 0.000 2.106 394 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 394 E C 1.851 178.463 176.600 0.020 0.000 0.984 394 E CA 0.979 57.382 56.400 0.004 0.000 0.806 394 E CB -0.054 29.650 29.700 0.007 0.000 0.750 394 E HN 0.463 nan 8.360 nan 0.000 0.458 395 E N 0.316 120.528 120.200 0.021 0.000 2.106 395 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 395 E C 2.235 178.876 176.600 0.069 0.000 0.984 395 E CA 0.526 56.963 56.400 0.062 0.000 0.806 395 E CB -0.065 29.692 29.700 0.096 0.000 0.750 395 E HN 0.238 nan 8.360 nan 0.000 0.458 396 I N 1.311 121.871 120.570 -0.016 0.000 2.179 396 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 396 I C 2.243 178.412 176.117 0.087 0.000 1.088 396 I CA 1.229 62.526 61.300 -0.005 0.000 1.357 396 I CB -0.193 37.707 38.000 -0.167 0.000 1.051 396 I HN 0.006 nan 8.210 nan 0.000 0.409 397 K N 0.317 120.746 120.400 0.050 0.000 2.103 397 K HA -0.220 4.099 4.320 -0.001 0.000 0.207 397 K C 2.267 178.916 176.600 0.082 0.000 1.048 397 K CA 1.195 57.520 56.287 0.062 0.000 0.930 397 K CB -0.224 32.297 32.500 0.035 0.000 0.716 397 K HN 0.269 nan 8.250 nan 0.000 0.444 398 R N 1.245 121.793 120.500 0.080 0.000 2.066 398 R HA -0.151 4.189 4.340 -0.001 0.000 0.232 398 R C 1.344 177.703 176.300 0.098 0.000 1.131 398 R CA 1.923 58.073 56.100 0.083 0.000 0.955 398 R CB -0.088 30.259 30.300 0.078 0.000 0.851 398 R HN 0.116 nan 8.270 nan 0.000 0.432 399 D N 0.229 120.706 120.400 0.128 0.000 2.097 399 D HA -0.132 4.507 4.640 -0.001 0.000 0.195 399 D C 2.016 178.379 176.300 0.105 0.000 0.989 399 D CA 1.200 55.275 54.000 0.125 0.000 0.827 399 D CB -0.268 40.660 40.800 0.213 0.000 0.966 399 D HN 0.104 nan 8.370 nan 0.000 0.456 400 V N 1.544 121.558 119.914 0.166 0.000 2.407 400 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 400 V C 2.532 178.775 176.094 0.247 0.000 1.055 400 V CA 1.799 64.240 62.300 0.236 0.000 1.049 400 V CB -0.744 31.237 31.823 0.263 0.000 0.662 400 V HN 0.191 nan 8.190 nan 0.000 0.455 401 A N -0.465 122.453 122.820 0.162 0.000 1.933 401 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 401 A C 2.020 179.672 177.584 0.114 0.000 1.175 401 A CA 1.876 53.998 52.037 0.141 0.000 0.628 401 A CB -0.515 18.545 19.000 0.099 0.000 0.814 401 A HN 0.541 nan 8.150 nan 0.000 0.444 402 D N 0.138 120.579 120.400 0.067 0.000 2.097 402 D HA -0.104 4.535 4.640 -0.001 0.000 0.197 402 D C 2.007 178.271 176.300 -0.060 0.000 0.984 402 D CA 1.147 55.161 54.000 0.022 0.000 0.826 402 D CB -0.313 40.489 40.800 0.002 0.000 0.973 402 D HN 0.454 nan 8.370 nan 0.000 0.460 403 L N -0.500 120.626 121.223 -0.162 0.000 2.017 403 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 403 L C 2.157 178.771 176.870 -0.427 0.000 1.073 403 L CA 0.969 55.556 54.840 -0.422 0.000 0.745 403 L CB -0.353 41.327 42.059 -0.633 0.000 0.894 403 L HN -0.036 nan 8.230 nan 0.000 0.432 404 F N -2.069 117.850 119.950 -0.050 0.000 2.789 404 F HA 0.030 4.557 4.527 -0.001 0.000 0.300 404 F C 2.120 177.877 175.800 -0.073 0.000 1.132 404 F CA 0.618 58.577 58.000 -0.068 0.000 1.404 404 F CB 0.347 39.287 39.000 -0.100 0.000 1.114 404 F HN 0.001 nan 8.300 nan 0.000 0.584 405 S N -1.132 114.646 115.700 0.131 0.000 4.257 405 S HA 0.103 4.572 4.470 -0.001 0.000 0.208 405 S C 1.806 176.560 174.600 0.257 0.000 1.152 405 S CA -0.195 58.114 58.200 0.182 0.000 1.110 405 S CB -0.323 63.020 63.200 0.238 0.000 1.434 405 S HN 0.046 nan 8.310 nan 0.000 0.509 406 R N 1.613 122.248 120.500 0.224 0.000 2.091 406 R HA -0.001 4.338 4.340 -0.001 0.000 0.238 406 R C 1.728 178.128 176.300 0.167 0.000 1.136 406 R CA 1.846 58.081 56.100 0.224 0.000 0.959 406 R CB -0.501 29.886 30.300 0.144 0.000 0.856 406 R HN 0.394 nan 8.270 nan 0.000 0.437 407 N N 0.546 119.300 118.700 0.091 0.000 2.104 407 N HA -0.196 4.543 4.740 -0.001 0.000 0.190 407 N C 1.439 176.998 175.510 0.082 0.000 1.024 407 N CA 1.215 54.301 53.050 0.061 0.000 0.853 407 N CB -0.396 38.080 38.487 -0.019 0.000 1.008 407 N HN 0.133 nan 8.380 nan 0.000 0.424 408 F N 0.000 119.880 119.950 -0.118 0.000 2.084 408 F HA -0.109 4.418 4.527 -0.001 0.000 0.296 408 F C 1.926 177.622 175.800 -0.173 0.000 1.111 408 F CA 1.339 59.196 58.000 -0.239 0.000 1.224 408 F CB -0.747 37.947 39.000 -0.509 0.000 0.991 408 F HN 0.051 nan 8.300 nan 0.000 0.471 409 W N 0.591 121.839 121.300 -0.087 0.000 2.363 409 W HA -0.132 4.527 4.660 -0.001 0.000 0.296 409 W C 2.791 179.219 176.519 -0.150 0.000 1.212 409 W CA 1.306 58.535 57.345 -0.195 0.000 1.260 409 W CB -0.500 28.939 29.460 -0.034 0.000 1.131 409 W HN -0.060 nan 8.180 nan 0.000 0.530 410 R N -0.294 120.299 120.500 0.155 0.000 2.096 410 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 410 R C 2.115 178.456 176.300 0.068 0.000 1.127 410 R CA 1.632 57.795 56.100 0.106 0.000 0.968 410 R CB -0.727 29.643 30.300 0.116 0.000 0.861 410 R HN 0.195 nan 8.270 nan 0.000 0.440 411 F N 0.672 120.549 119.950 -0.123 0.000 2.163 411 F HA -0.121 4.406 4.527 -0.001 0.000 0.297 411 F C 1.929 177.616 175.800 -0.189 0.000 1.094 411 F CA 1.420 59.336 58.000 -0.139 0.000 1.290 411 F CB -0.026 38.888 39.000 -0.143 0.000 1.017 411 F HN -0.064 nan 8.300 nan 0.000 0.483 412 V N -1.504 118.255 119.914 -0.258 0.000 3.129 412 V HA 0.397 4.516 4.120 -0.001 0.000 0.259 412 V C 1.133 177.126 176.094 -0.168 0.000 1.116 412 V CA 0.509 62.632 62.300 -0.295 0.000 1.127 412 V CB -1.180 30.378 31.823 -0.442 0.000 0.742 412 V HN 0.657 nan 8.190 nan 0.000 0.474 413 G N 0.000 108.741 108.800 -0.099 0.000 5.446 413 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 413 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 413 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925