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 3oqc_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDILFRIRGG FDLAFQLAPP KEMFIKNALR QVLSDLTTKL SSDALVLRVC DATA SEQUENCE NSXVYLWPNS DAXXGELTDS SACXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXTQQIVNID LMLEISXXXX XXXXXXXXXX XXXXYINMSL PIDAVVSVAP DATA SEQUENCE EESWGKVRKL LVDAILRQLV DVEKCILRYM KGTSIVVPEP LHFQLPGKKN DATA SEQUENCE LVTVLYPSGI PDDQLQAYRK ELHDLFNLPH DRPYFKRINA YHFPDELYKD DATA SEQUENCE GYIRNPHTYL SPPNIEGSMI CVVQGTYAYH HYMQDRIDDN GWGSAYRSLQ DATA SEQUENCE TICSWFRHQG YTERSIPTHR EIQQALVDAG DKPATFVGSR QWIGSIEVQM DATA SEQUENCE VLNQLIGVTS KILFVNQGSE MASQGRELAN HFQNVGTPVM VGGGVLAHTI DATA SEQUENCE LGVAWNETTG QIKFLILDPH YTGAEDLQVM LEKGWCGWKS PDFWNKDAYY DATA SEQUENCE NLCLPQRPNA L 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 0.000 176.309 176.300 0.016 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 D N 2.602 123.013 120.400 0.018 0.000 2.283 2 D HA 0.669 5.309 4.640 0.001 0.000 0.248 2 D C -0.351 175.956 176.300 0.011 0.000 1.072 2 D CA -0.033 53.981 54.000 0.024 0.000 0.929 2 D CB 1.944 42.760 40.800 0.027 0.000 1.182 2 D HN 0.616 nan 8.370 nan 0.000 0.433 3 I N 1.622 122.204 120.570 0.020 0.000 2.437 3 I HA 0.233 4.404 4.170 0.001 0.000 0.298 3 I C -0.559 175.543 176.117 -0.025 0.000 0.984 3 I CA -0.955 60.319 61.300 -0.043 0.000 1.214 3 I CB 1.523 39.474 38.000 -0.081 0.000 1.365 3 I HN 0.046 nan 8.210 nan 0.000 0.469 4 L N 7.075 128.229 121.223 -0.114 0.000 2.343 4 L HA 0.519 4.859 4.340 0.001 0.000 0.278 4 L C -1.449 175.348 176.870 -0.122 0.000 0.996 4 L CA -0.000 54.829 54.840 -0.018 0.000 0.831 4 L CB 0.877 42.967 42.059 0.051 0.000 1.232 4 L HN 0.226 nan 8.230 nan 0.000 0.413 5 F N 4.433 124.399 119.950 0.027 0.000 2.410 5 F HA 0.551 5.079 4.527 0.001 0.000 0.349 5 F C 0.595 176.378 175.800 -0.027 0.000 1.117 5 F CA -0.288 57.715 58.000 0.006 0.000 1.104 5 F CB 1.193 40.209 39.000 0.026 0.000 1.122 5 F HN 0.375 nan 8.300 nan 0.000 0.483 6 R N 4.735 125.283 120.500 0.081 0.000 2.288 6 R HA 0.455 4.796 4.340 0.001 0.000 0.326 6 R C -1.258 175.027 176.300 -0.025 0.000 0.959 6 R CA -0.693 55.380 56.100 -0.045 0.000 0.834 6 R CB 0.550 30.695 30.300 -0.258 0.000 1.157 6 R HN 0.453 nan 8.270 nan 0.000 0.470 7 I N 4.619 125.190 120.570 0.001 0.000 2.325 7 I HA 0.380 4.550 4.170 0.001 0.000 0.291 7 I C 0.456 176.550 176.117 -0.038 0.000 1.019 7 I CA -0.239 61.057 61.300 -0.008 0.000 1.302 7 I CB 0.935 38.944 38.000 0.015 0.000 1.401 7 I HN 0.533 nan 8.210 nan 0.000 0.485 8 R N 2.967 123.423 120.500 -0.073 0.000 2.854 8 R HA 0.869 5.209 4.340 0.001 0.000 0.271 8 R C -0.193 176.032 176.300 -0.125 0.000 0.994 8 R CA -0.819 55.222 56.100 -0.097 0.000 0.945 8 R CB 2.760 32.992 30.300 -0.113 0.000 1.194 8 R HN 0.926 nan 8.270 nan 0.000 0.476 9 G N -0.415 108.286 108.800 -0.165 0.000 2.337 9 G HA2 0.416 4.377 3.960 0.001 0.000 0.298 9 G HA3 0.416 4.377 3.960 0.001 0.000 0.298 9 G C -1.515 173.186 174.900 -0.331 0.000 1.335 9 G CA -0.243 44.720 45.100 -0.227 0.000 0.875 9 G HN 0.834 nan 8.290 nan 0.000 0.579 10 G N -1.725 106.816 108.800 -0.432 0.000 2.649 10 G HA2 0.757 4.717 3.960 0.001 0.000 0.290 10 G HA3 0.757 4.717 3.960 0.001 0.000 0.290 10 G C -1.871 172.674 174.900 -0.592 0.000 1.426 10 G CA -0.698 44.076 45.100 -0.544 0.000 0.794 10 G HN 0.820 nan 8.290 nan 0.000 0.483 11 F N 0.788 120.754 119.950 0.028 0.000 2.467 11 F HA 0.411 4.939 4.527 0.001 0.000 0.336 11 F C -0.366 175.457 175.800 0.038 0.000 1.123 11 F CA -1.093 56.926 58.000 0.033 0.000 0.964 11 F CB 2.116 41.137 39.000 0.036 0.000 1.136 11 F HN 0.099 nan 8.300 nan 0.000 0.447 12 D N 4.679 125.202 120.400 0.205 0.000 2.225 12 D HA 0.615 5.256 4.640 0.001 0.000 0.248 12 D C -0.457 175.935 176.300 0.152 0.000 1.096 12 D CA -0.070 54.015 54.000 0.141 0.000 0.863 12 D CB 1.938 42.795 40.800 0.096 0.000 1.156 12 D HN 0.467 nan 8.370 nan 0.000 0.450 13 L N -1.288 120.018 121.223 0.138 0.000 2.568 13 L HA 0.953 5.293 4.340 0.001 0.000 0.257 13 L C -1.503 175.451 176.870 0.141 0.000 1.024 13 L CA -1.114 53.812 54.840 0.144 0.000 0.854 13 L CB 1.951 44.101 42.059 0.150 0.000 1.460 13 L HN 0.358 nan 8.230 nan 0.000 0.409 14 A N 0.833 123.752 122.820 0.165 0.000 2.549 14 A HA 0.695 5.015 4.320 0.001 0.000 0.306 14 A C -1.900 175.786 177.584 0.171 0.000 1.053 14 A CA -0.185 51.950 52.037 0.163 0.000 0.892 14 A CB 0.302 19.377 19.000 0.125 0.000 1.329 14 A HN 0.632 nan 8.150 nan 0.000 0.388 15 F N 1.950 121.926 119.950 0.043 0.000 2.450 15 F HA 0.451 4.978 4.527 0.001 0.000 0.332 15 F C 0.719 176.539 175.800 0.034 0.000 1.093 15 F CA -0.290 57.718 58.000 0.014 0.000 1.003 15 F CB 1.941 40.941 39.000 0.001 0.000 1.151 15 F HN 0.568 nan 8.300 nan 0.000 0.474 16 Q N 5.602 125.393 119.800 -0.015 0.000 2.286 16 Q HA 0.294 4.634 4.340 0.001 0.000 0.267 16 Q C -0.957 175.125 176.000 0.137 0.000 1.028 16 Q CA -0.041 55.781 55.803 0.032 0.000 0.901 16 Q CB 0.797 29.455 28.738 -0.134 0.000 1.183 16 Q HN 0.523 nan 8.270 nan 0.000 0.392 17 L N -0.387 120.926 121.223 0.149 0.000 2.330 17 L HA 0.834 5.175 4.340 0.001 0.000 0.271 17 L C 0.181 177.097 176.870 0.076 0.000 1.013 17 L CA -1.377 53.521 54.840 0.097 0.000 0.816 17 L CB 1.123 43.269 42.059 0.146 0.000 1.287 17 L HN 0.470 nan 8.230 nan 0.000 0.435 18 A N 1.740 124.532 122.820 -0.047 0.000 2.406 18 A HA 0.623 4.943 4.320 0.001 0.000 0.243 18 A C -2.305 175.424 177.584 0.242 0.000 1.082 18 A CA -0.966 51.080 52.037 0.015 0.000 0.786 18 A CB -0.533 18.399 19.000 -0.113 0.000 1.029 18 A HN 0.613 nan 8.150 nan 0.000 0.495 19 P HA 0.418 nan 4.420 nan 0.000 0.294 19 P C -2.789 174.672 177.300 0.269 0.000 1.294 19 P CA -1.458 61.783 63.100 0.235 0.000 0.827 19 P CB 0.629 32.409 31.700 0.132 0.000 0.992 20 P HA 0.231 nan 4.420 nan 0.000 0.297 20 P C 0.825 178.157 177.300 0.053 0.000 1.331 20 P CA -0.571 62.569 63.100 0.068 0.000 0.803 20 P CB 1.200 32.884 31.700 -0.027 0.000 0.929 21 K N 4.806 125.299 120.400 0.155 0.000 2.152 21 K HA -0.181 4.139 4.320 0.001 0.000 0.206 21 K C 0.875 177.519 176.600 0.073 0.000 1.048 21 K CA 1.604 58.022 56.287 0.218 0.000 0.933 21 K CB -0.269 32.341 32.500 0.183 0.000 0.721 21 K HN 0.554 nan 8.250 nan 0.000 0.447 22 E N 0.539 120.735 120.200 -0.006 0.000 2.501 22 E HA -0.158 4.192 4.350 0.001 0.000 0.203 22 E C 1.304 177.850 176.600 -0.090 0.000 1.072 22 E CA 0.848 57.229 56.400 -0.032 0.000 0.885 22 E CB -0.353 29.328 29.700 -0.030 0.000 0.813 22 E HN 0.521 nan 8.360 nan 0.000 0.556 23 M N -1.247 118.232 119.600 -0.201 0.000 2.669 23 M HA 0.224 4.705 4.480 0.001 0.000 0.248 23 M C 1.390 177.574 176.300 -0.193 0.000 1.382 23 M CA 0.222 55.352 55.300 -0.284 0.000 1.158 23 M CB 0.219 32.509 32.600 -0.517 0.000 1.371 23 M HN -0.056 nan 8.290 nan 0.000 0.540 24 F N -0.013 119.945 119.950 0.014 0.000 2.456 24 F HA -0.048 4.480 4.527 0.001 0.000 0.298 24 F C 2.180 177.985 175.800 0.008 0.000 1.104 24 F CA 0.213 58.220 58.000 0.011 0.000 1.435 24 F CB -0.065 38.948 39.000 0.021 0.000 1.078 24 F HN 0.065 nan 8.300 nan 0.000 0.546 25 I N 0.963 121.634 120.570 0.169 0.000 2.252 25 I HA -0.256 3.914 4.170 0.001 0.000 0.245 25 I C 2.330 178.490 176.117 0.072 0.000 1.102 25 I CA 1.618 62.989 61.300 0.119 0.000 1.385 25 I CB -0.516 37.542 38.000 0.096 0.000 1.064 25 I HN -0.016 nan 8.210 nan 0.000 0.414 26 K N 0.318 120.747 120.400 0.049 0.000 1.991 26 K HA -0.289 4.032 4.320 0.001 0.000 0.212 26 K C 2.158 178.772 176.600 0.023 0.000 1.049 26 K CA 2.263 58.565 56.287 0.025 0.000 0.932 26 K CB -0.403 32.102 32.500 0.009 0.000 0.717 26 K HN 0.373 nan 8.250 nan 0.000 0.441 27 N N -0.373 118.352 118.700 0.042 0.000 2.060 27 N HA -0.223 4.517 4.740 0.001 0.000 0.195 27 N C 1.546 177.059 175.510 0.004 0.000 1.028 27 N CA 2.028 55.098 53.050 0.034 0.000 0.861 27 N CB -0.207 38.327 38.487 0.079 0.000 1.029 27 N HN 0.369 nan 8.380 nan 0.000 0.428 28 A N 0.169 122.997 122.820 0.013 0.000 1.929 28 A HA -0.024 4.296 4.320 0.001 0.000 0.216 28 A C 2.232 179.779 177.584 -0.063 0.000 1.176 28 A CA 0.678 52.683 52.037 -0.054 0.000 0.628 28 A CB -0.697 18.274 19.000 -0.048 0.000 0.816 28 A HN 0.386 nan 8.150 nan 0.000 0.444 29 L N -0.431 120.783 121.223 -0.014 0.000 1.956 29 L HA -0.276 4.064 4.340 0.001 0.000 0.216 29 L C 2.910 179.762 176.870 -0.030 0.000 1.073 29 L CA 1.915 56.750 54.840 -0.009 0.000 0.762 29 L CB -0.413 41.653 42.059 0.011 0.000 0.889 29 L HN 0.406 nan 8.230 nan 0.000 0.433 30 R N -0.919 119.566 120.500 -0.026 0.000 2.140 30 R HA -0.261 4.079 4.340 0.001 0.000 0.250 30 R C 2.259 178.526 176.300 -0.055 0.000 1.150 30 R CA 1.633 57.712 56.100 -0.035 0.000 0.966 30 R CB -0.556 29.729 30.300 -0.026 0.000 0.869 30 R HN 0.498 nan 8.270 nan 0.000 0.445 31 Q N 0.507 120.263 119.800 -0.073 0.000 1.975 31 Q HA -0.126 4.215 4.340 0.001 0.000 0.205 31 Q C 2.395 178.325 176.000 -0.117 0.000 0.990 31 Q CA 1.600 57.341 55.803 -0.102 0.000 0.845 31 Q CB -0.542 28.109 28.738 -0.145 0.000 0.913 31 Q HN 0.210 nan 8.270 nan 0.000 0.420 32 V N 1.508 121.340 119.914 -0.136 0.000 2.282 32 V HA -0.276 3.845 4.120 0.001 0.000 0.249 32 V C 2.506 178.537 176.094 -0.105 0.000 1.057 32 V CA 1.507 63.729 62.300 -0.131 0.000 1.032 32 V CB -0.716 31.048 31.823 -0.098 0.000 0.645 32 V HN 0.304 nan 8.190 nan 0.000 0.447 33 L N 0.167 121.341 121.223 -0.082 0.000 2.012 33 L HA -0.177 4.164 4.340 0.001 0.000 0.210 33 L C 2.747 179.568 176.870 -0.083 0.000 1.073 33 L CA 2.524 57.318 54.840 -0.076 0.000 0.748 33 L CB -1.483 40.551 42.059 -0.042 0.000 0.891 33 L HN 0.506 nan 8.230 nan 0.000 0.431 34 S N -0.663 114.995 115.700 -0.071 0.000 2.359 34 S HA -0.205 4.266 4.470 0.001 0.000 0.224 34 S C 1.654 176.210 174.600 -0.073 0.000 1.035 34 S CA 1.580 59.742 58.200 -0.064 0.000 1.018 34 S CB -0.199 62.968 63.200 -0.055 0.000 0.876 34 S HN 0.483 nan 8.310 nan 0.000 0.448 35 D N 1.173 121.521 120.400 -0.085 0.000 2.116 35 D HA -0.126 4.515 4.640 0.001 0.000 0.193 35 D C 2.038 178.282 176.300 -0.093 0.000 0.998 35 D CA 1.266 55.216 54.000 -0.082 0.000 0.836 35 D CB -0.542 40.206 40.800 -0.088 0.000 0.951 35 D HN 0.386 nan 8.370 nan 0.000 0.449 36 L N 0.797 121.938 121.223 -0.136 0.000 1.989 36 L HA -0.199 4.141 4.340 0.001 0.000 0.211 36 L C 2.650 179.437 176.870 -0.138 0.000 1.071 36 L CA 1.437 56.158 54.840 -0.198 0.000 0.749 36 L CB -0.745 41.112 42.059 -0.337 0.000 0.890 36 L HN 0.024 nan 8.230 nan 0.000 0.431 37 T N -1.271 113.222 114.554 -0.102 0.000 2.760 37 T HA -0.217 4.133 4.350 0.001 0.000 0.269 37 T C 1.736 176.410 174.700 -0.044 0.000 1.047 37 T CA 1.903 63.968 62.100 -0.058 0.000 1.139 37 T CB -0.305 68.539 68.868 -0.041 0.000 0.855 37 T HN 0.450 nan 8.240 nan 0.000 0.471 38 T N 1.139 115.664 114.554 -0.048 0.000 2.814 38 T HA 0.075 4.425 4.350 0.001 0.000 0.254 38 T C 1.977 176.662 174.700 -0.026 0.000 1.037 38 T CA 0.540 62.620 62.100 -0.032 0.000 1.143 38 T CB -0.068 68.781 68.868 -0.031 0.000 0.866 38 T HN 0.309 nan 8.240 nan 0.000 0.431 39 K N 0.687 121.063 120.400 -0.040 0.000 2.059 39 K HA -0.095 4.226 4.320 0.001 0.000 0.212 39 K C 2.048 178.646 176.600 -0.004 0.000 1.050 39 K CA 1.125 57.397 56.287 -0.025 0.000 0.927 39 K CB -0.289 32.181 32.500 -0.050 0.000 0.714 39 K HN 0.150 nan 8.250 nan 0.000 0.447 40 L N 0.780 121.993 121.223 -0.018 0.000 2.201 40 L HA -0.107 4.233 4.340 0.001 0.000 0.212 40 L C 2.022 178.906 176.870 0.023 0.000 1.105 40 L CA 1.555 56.405 54.840 0.017 0.000 0.775 40 L CB -1.028 41.043 42.059 0.020 0.000 0.913 40 L HN 0.087 nan 8.230 nan 0.000 0.440 41 S N -0.673 115.032 115.700 0.009 0.000 2.522 41 S HA 0.007 4.477 4.470 0.001 0.000 0.227 41 S C 1.220 175.831 174.600 0.019 0.000 0.986 41 S CA -0.021 58.184 58.200 0.009 0.000 0.929 41 S CB 0.011 63.210 63.200 -0.002 0.000 0.769 41 S HN 0.462 nan 8.310 nan 0.000 0.529 42 S N 1.808 117.525 115.700 0.029 0.000 2.640 42 S HA 0.206 4.676 4.470 0.001 0.000 0.262 42 S C 0.460 175.105 174.600 0.075 0.000 1.232 42 S CA -0.608 57.617 58.200 0.043 0.000 0.988 42 S CB 0.205 63.432 63.200 0.044 0.000 1.034 42 S HN 0.175 nan 8.310 nan 0.000 0.569 43 D N -0.310 120.144 120.400 0.091 0.000 2.342 43 D HA 0.372 5.012 4.640 0.001 0.000 0.221 43 D C 1.258 177.684 176.300 0.211 0.000 1.101 43 D CA 0.047 54.139 54.000 0.152 0.000 0.837 43 D CB -0.308 40.556 40.800 0.108 0.000 0.938 43 D HN 0.558 nan 8.370 nan 0.000 0.508 44 A N -0.078 122.836 122.820 0.158 0.000 2.239 44 A HA 0.111 4.431 4.320 0.001 0.000 0.209 44 A C 0.777 178.479 177.584 0.197 0.000 1.171 44 A CA 0.060 52.200 52.037 0.173 0.000 0.768 44 A CB -0.283 18.780 19.000 0.105 0.000 0.790 44 A HN 0.314 nan 8.150 nan 0.000 0.478 45 L N 0.895 122.231 121.223 0.190 0.000 2.265 45 L HA 0.542 4.882 4.340 0.001 0.000 0.289 45 L C -0.692 176.202 176.870 0.041 0.000 1.033 45 L CA -0.369 54.541 54.840 0.117 0.000 0.814 45 L CB 1.467 43.582 42.059 0.094 0.000 1.203 45 L HN -0.013 nan 8.230 nan 0.000 0.423 46 V N 5.822 125.677 119.914 -0.098 0.000 2.513 46 V HA 0.492 4.613 4.120 0.001 0.000 0.299 46 V C -0.031 175.944 176.094 -0.198 0.000 1.035 46 V CA -0.760 61.325 62.300 -0.359 0.000 0.889 46 V CB 1.552 33.027 31.823 -0.580 0.000 0.988 46 V HN 0.592 nan 8.190 nan 0.000 0.440 47 L N 4.578 125.668 121.223 -0.221 0.000 2.319 47 L HA 0.610 4.950 4.340 0.001 0.000 0.281 47 L C -0.011 176.724 176.870 -0.226 0.000 1.005 47 L CA -0.417 54.335 54.840 -0.147 0.000 0.828 47 L CB 1.744 43.767 42.059 -0.060 0.000 1.227 47 L HN 0.659 nan 8.230 nan 0.000 0.415 48 R N 2.407 122.741 120.500 -0.277 0.000 2.346 48 R HA 0.510 4.850 4.340 0.001 0.000 0.311 48 R C -0.982 175.136 176.300 -0.303 0.000 0.983 48 R CA -0.624 55.188 56.100 -0.479 0.000 0.880 48 R CB 1.767 31.685 30.300 -0.638 0.000 1.100 48 R HN 0.386 nan 8.270 nan 0.000 0.453 49 V N 5.340 125.081 119.914 -0.288 0.000 2.405 49 V HA 0.066 4.186 4.120 0.001 0.000 0.264 49 V C 0.384 176.375 176.094 -0.172 0.000 1.048 49 V CA -0.664 61.535 62.300 -0.169 0.000 0.966 49 V CB 0.405 32.154 31.823 -0.124 0.000 1.015 49 V HN 0.857 nan 8.190 nan 0.000 0.477 50 C N 6.183 125.401 119.300 -0.137 0.000 2.611 50 C HA 0.042 4.502 4.460 0.001 0.000 0.416 50 C C 1.411 176.339 174.990 -0.104 0.000 1.366 50 C CA -0.437 58.508 59.018 -0.122 0.000 1.761 50 C CB -1.149 26.526 27.740 -0.109 0.000 2.619 50 C HN 1.038 nan 8.230 nan 0.000 0.606 51 N N 1.472 120.117 118.700 -0.091 0.000 2.740 51 N HA -0.173 4.568 4.740 0.001 0.000 0.248 51 N C -0.306 175.163 175.510 -0.068 0.000 1.062 51 N CA 1.481 54.488 53.050 -0.073 0.000 0.704 51 N CB -0.889 37.557 38.487 -0.068 0.000 0.968 51 N HN 0.880 nan 8.380 nan 0.000 0.547 55 Y N 3.124 123.398 120.300 -0.044 0.000 2.534 55 Y HA 0.817 5.367 4.550 0.001 0.000 0.345 55 Y C -0.467 175.336 175.900 -0.162 0.000 1.031 55 Y CA -0.791 57.223 58.100 -0.144 0.000 1.022 55 Y CB 2.227 40.594 38.460 -0.156 0.000 1.292 55 Y HN 0.455 nan 8.280 nan 0.000 0.459 56 L N 1.561 122.671 121.223 -0.188 0.000 2.370 56 L HA 0.543 4.883 4.340 0.001 0.000 0.266 56 L C -1.755 174.932 176.870 -0.304 0.000 1.002 56 L CA -0.727 54.069 54.840 -0.074 0.000 0.818 56 L CB 2.277 44.385 42.059 0.082 0.000 1.325 56 L HN 0.611 nan 8.230 nan 0.000 0.418 57 W N 2.434 123.837 121.300 0.172 0.000 2.463 57 W HA 0.488 5.148 4.660 0.001 0.000 0.316 57 W C -2.206 174.384 176.519 0.119 0.000 1.004 57 W CA -1.398 56.022 57.345 0.126 0.000 1.309 57 W CB 0.760 30.278 29.460 0.096 0.000 1.288 57 W HN 0.215 nan 8.180 nan 0.000 0.423 58 P HA 0.136 nan 4.420 nan 0.000 0.275 58 P C 0.327 177.632 177.300 0.009 0.000 1.310 58 P CA 0.644 63.810 63.100 0.110 0.000 0.904 58 P CB 0.896 32.629 31.700 0.055 0.000 1.381 59 N N -1.527 117.204 118.700 0.052 0.000 2.380 59 N HA 0.126 4.866 4.740 0.001 0.000 0.227 59 N C -0.242 175.277 175.510 0.015 0.000 1.139 59 N CA 0.089 53.139 53.050 0.001 0.000 0.843 59 N CB 0.565 39.044 38.487 -0.012 0.000 1.327 59 N HN -0.184 nan 8.380 nan 0.000 0.470 60 S N 1.657 117.389 115.700 0.053 0.000 2.474 60 S HA 0.239 4.710 4.470 0.001 0.000 0.320 60 S C -1.609 173.026 174.600 0.058 0.000 1.067 60 S CA -0.518 57.705 58.200 0.039 0.000 1.127 60 S CB 0.774 63.991 63.200 0.028 0.000 0.971 60 S HN 0.139 nan 8.310 nan 0.000 0.472 61 D N 2.761 123.192 120.400 0.051 0.000 2.427 61 D HA 0.559 5.199 4.640 0.001 0.000 0.226 61 D C 0.274 176.602 176.300 0.048 0.000 1.076 61 D CA -0.336 53.712 54.000 0.080 0.000 0.849 61 D CB 1.123 41.988 40.800 0.108 0.000 1.052 61 D HN 0.482 nan 8.370 nan 0.000 0.515 66 E N 1.957 122.212 120.200 0.092 0.000 2.367 66 E HA 0.118 4.469 4.350 0.001 0.000 0.292 66 E C 0.098 176.839 176.600 0.234 0.000 0.900 66 E CA -0.550 55.980 56.400 0.216 0.000 0.807 66 E CB 1.288 31.237 29.700 0.414 0.000 1.337 66 E HN 0.733 nan 8.360 nan 0.000 0.394 67 L N 1.329 122.642 121.223 0.150 0.000 2.934 67 L HA 0.457 4.798 4.340 0.001 0.000 0.233 67 L C -0.066 176.886 176.870 0.136 0.000 1.358 67 L CA -0.360 54.556 54.840 0.127 0.000 1.233 67 L CB -0.525 41.577 42.059 0.072 0.000 1.594 67 L HN 0.065 nan 8.230 nan 0.000 0.439 68 T N 0.557 115.224 114.554 0.189 0.000 2.889 68 T HA 0.146 4.496 4.350 0.001 0.000 0.291 68 T C 0.194 174.990 174.700 0.159 0.000 0.995 68 T CA -0.335 61.845 62.100 0.133 0.000 1.092 68 T CB 1.717 70.632 68.868 0.079 0.000 0.954 68 T HN 0.485 nan 8.240 nan 0.000 0.506 69 D N 1.748 122.212 120.400 0.107 0.000 2.372 69 D HA -0.035 4.605 4.640 0.001 0.000 0.243 69 D C -0.360 176.010 176.300 0.117 0.000 1.121 69 D CA -0.405 53.663 54.000 0.112 0.000 0.898 69 D CB 0.689 41.535 40.800 0.076 0.000 1.202 69 D HN 0.313 nan 8.370 nan 0.000 0.428 70 S N 1.629 117.426 115.700 0.161 0.000 2.714 70 S HA 0.071 4.541 4.470 0.001 0.000 0.318 70 S C 0.991 175.645 174.600 0.091 0.000 1.219 70 S CA 0.179 58.487 58.200 0.180 0.000 1.175 70 S CB 0.025 63.395 63.200 0.282 0.000 0.961 70 S HN 0.629 nan 8.310 nan 0.000 0.518 71 S N 2.446 118.170 115.700 0.039 0.000 3.770 71 S HA 0.487 4.957 4.470 0.001 0.000 0.238 71 S C 1.066 175.647 174.600 -0.032 0.000 1.143 71 S CA 0.260 58.460 58.200 -0.001 0.000 0.869 71 S CB -0.577 62.619 63.200 -0.007 0.000 1.057 71 S HN 1.651 nan 8.310 nan 0.000 0.507 72 A N 0.838 123.617 122.820 -0.068 0.000 2.715 72 A HA -0.108 4.212 4.320 0.001 0.000 0.301 72 A C 0.548 178.085 177.584 -0.079 0.000 1.515 72 A CA 0.852 52.826 52.037 -0.105 0.000 0.816 72 A CB -2.721 16.211 19.000 -0.112 0.000 1.004 72 A HN 0.972 nan 8.150 nan 0.000 0.483 104 Q N 0.585 120.391 119.800 0.010 0.000 2.392 104 Q HA 0.359 4.699 4.340 0.001 0.000 0.262 104 Q C -0.632 175.359 176.000 -0.016 0.000 1.003 104 Q CA -0.217 55.592 55.803 0.009 0.000 0.888 104 Q CB 0.761 29.525 28.738 0.043 0.000 1.260 104 Q HN 0.488 nan 8.270 nan 0.000 0.435 105 Q N 3.015 122.789 119.800 -0.043 0.000 2.314 105 Q HA 0.360 4.700 4.340 0.001 0.000 0.257 105 Q C -1.548 174.374 176.000 -0.130 0.000 0.975 105 Q CA 0.174 55.925 55.803 -0.086 0.000 0.933 105 Q CB 0.556 29.233 28.738 -0.102 0.000 1.195 105 Q HN 0.486 nan 8.270 nan 0.000 0.426 106 I N 4.255 124.752 120.570 -0.122 0.000 2.362 106 I HA 0.342 4.512 4.170 0.001 0.000 0.289 106 I C -0.944 175.048 176.117 -0.208 0.000 0.994 106 I CA -0.864 60.355 61.300 -0.136 0.000 1.158 106 I CB 1.975 39.959 38.000 -0.026 0.000 1.315 106 I HN 0.312 nan 8.210 nan 0.000 0.451 107 V N 5.808 125.525 119.914 -0.327 0.000 2.304 107 V HA 0.338 4.458 4.120 0.001 0.000 0.278 107 V C -0.020 176.000 176.094 -0.122 0.000 1.018 107 V CA -0.850 61.282 62.300 -0.279 0.000 0.814 107 V CB 0.601 32.135 31.823 -0.482 0.000 1.021 107 V HN 0.621 nan 8.190 nan 0.000 0.440 108 N N 4.738 123.374 118.700 -0.106 0.000 2.497 108 N HA 0.519 5.259 4.740 0.001 0.000 0.271 108 N C -0.703 174.772 175.510 -0.059 0.000 1.142 108 N CA 0.036 53.029 53.050 -0.095 0.000 0.965 108 N CB 2.133 40.542 38.487 -0.130 0.000 1.077 108 N HN 0.556 nan 8.380 nan 0.000 0.462 109 I N 1.413 121.959 120.570 -0.041 0.000 2.498 109 I HA 0.163 4.334 4.170 0.001 0.000 0.290 109 I C -0.401 175.669 176.117 -0.078 0.000 1.032 109 I CA -0.843 60.433 61.300 -0.040 0.000 1.073 109 I CB 1.969 39.987 38.000 0.031 0.000 1.251 109 I HN 0.184 nan 8.210 nan 0.000 0.426 110 D N 4.932 125.265 120.400 -0.112 0.000 2.264 110 D HA 0.376 5.017 4.640 0.001 0.000 0.249 110 D C -0.709 175.532 176.300 -0.098 0.000 1.070 110 D CA -0.168 53.764 54.000 -0.112 0.000 0.912 110 D CB 1.930 42.654 40.800 -0.126 0.000 1.193 110 D HN 0.150 nan 8.370 nan 0.000 0.427 111 L N 2.996 124.167 121.223 -0.087 0.000 2.294 111 L HA 0.430 4.770 4.340 0.001 0.000 0.283 111 L C -1.157 175.693 176.870 -0.033 0.000 1.015 111 L CA -0.151 54.655 54.840 -0.057 0.000 0.831 111 L CB 0.414 42.431 42.059 -0.070 0.000 1.217 111 L HN 0.254 nan 8.230 nan 0.000 0.420 112 M N 6.267 125.860 119.600 -0.012 0.000 2.465 112 M HA 0.470 4.950 4.480 0.001 0.000 0.316 112 M C -1.237 175.095 176.300 0.054 0.000 1.121 112 M CA -0.600 54.710 55.300 0.018 0.000 0.934 112 M CB 2.315 34.914 32.600 -0.002 0.000 1.692 112 M HN 0.441 nan 8.290 nan 0.000 0.444 113 L N 2.197 123.479 121.223 0.098 0.000 2.316 113 L HA 0.484 4.825 4.340 0.001 0.000 0.280 113 L C -0.437 176.495 176.870 0.103 0.000 1.006 113 L CA -0.343 54.564 54.840 0.111 0.000 0.836 113 L CB 1.660 43.802 42.059 0.138 0.000 1.221 113 L HN 0.706 nan 8.230 nan 0.000 0.418 114 E N 2.421 122.693 120.200 0.120 0.000 2.281 114 E HA 0.461 4.811 4.350 0.001 0.000 0.257 114 E C -0.203 176.479 176.600 0.137 0.000 0.971 114 E CA -0.674 55.804 56.400 0.131 0.000 0.839 114 E CB 1.475 31.275 29.700 0.167 0.000 1.238 114 E HN 0.423 nan 8.360 nan 0.000 0.412 115 I N 2.050 122.688 120.570 0.114 0.000 2.532 115 I HA 0.123 4.294 4.170 0.001 0.000 0.302 115 I C 0.333 176.509 176.117 0.100 0.000 1.176 115 I CA 0.266 61.619 61.300 0.088 0.000 1.975 115 I CB -1.021 37.014 38.000 0.059 0.000 1.536 115 I HN 0.138 nan 8.210 nan 0.000 0.919 136 I N 3.351 124.047 120.570 0.209 0.000 2.281 136 I HA 0.219 4.389 4.170 0.001 0.000 0.293 136 I C -0.350 175.856 176.117 0.149 0.000 1.085 136 I CA -0.396 60.990 61.300 0.144 0.000 1.257 136 I CB -0.055 38.029 38.000 0.140 0.000 1.430 136 I HN 0.549 nan 8.210 nan 0.000 0.489 137 N N 7.398 126.167 118.700 0.115 0.000 2.487 137 N HA 0.594 5.335 4.740 0.001 0.000 0.292 137 N C -0.666 174.897 175.510 0.088 0.000 1.108 137 N CA -0.301 52.813 53.050 0.108 0.000 0.956 137 N CB 2.343 40.885 38.487 0.092 0.000 1.176 137 N HN 0.521 nan 8.380 nan 0.000 0.484 138 M N 1.174 120.829 119.600 0.092 0.000 2.319 138 M HA 0.119 4.599 4.480 0.001 0.000 0.265 138 M C -1.579 174.779 176.300 0.096 0.000 1.038 138 M CA -0.393 54.961 55.300 0.089 0.000 0.946 138 M CB 0.989 33.647 32.600 0.097 0.000 1.984 138 M HN 0.565 nan 8.290 nan 0.000 0.482 139 S N 4.420 120.169 115.700 0.082 0.000 2.482 139 S HA 0.836 5.306 4.470 0.001 0.000 0.303 139 S C -1.379 173.269 174.600 0.081 0.000 1.091 139 S CA -0.757 57.493 58.200 0.083 0.000 1.057 139 S CB 1.926 65.158 63.200 0.053 0.000 1.031 139 S HN 0.618 nan 8.310 nan 0.000 0.485 140 L N 4.470 125.756 121.223 0.105 0.000 2.353 140 L HA 0.563 4.903 4.340 0.001 0.000 0.270 140 L C -2.276 174.612 176.870 0.031 0.000 1.003 140 L CA -1.827 53.079 54.840 0.111 0.000 0.862 140 L CB 1.661 43.847 42.059 0.212 0.000 1.221 140 L HN 0.579 nan 8.230 nan 0.000 0.430 141 P HA 0.302 nan 4.420 nan 0.000 0.274 141 P C -0.930 176.326 177.300 -0.073 0.000 1.237 141 P CA -0.307 62.755 63.100 -0.064 0.000 0.793 141 P CB 1.573 33.256 31.700 -0.028 0.000 0.977 142 I N 1.609 122.101 120.570 -0.129 0.000 2.534 142 I HA 0.348 4.519 4.170 0.001 0.000 0.288 142 I C -0.494 175.594 176.117 -0.048 0.000 1.077 142 I CA -0.189 61.059 61.300 -0.087 0.000 1.051 142 I CB 1.833 39.724 38.000 -0.182 0.000 1.234 142 I HN 0.331 nan 8.210 nan 0.000 0.425 143 D N 5.477 125.894 120.400 0.028 0.000 2.478 143 D HA 0.661 5.302 4.640 0.001 0.000 0.240 143 D C -1.346 175.095 176.300 0.235 0.000 1.364 143 D CA -0.048 54.008 54.000 0.093 0.000 0.987 143 D CB 2.365 43.207 40.800 0.070 0.000 1.328 143 D HN 0.667 nan 8.370 nan 0.000 0.584 144 A N 2.272 125.183 122.820 0.153 0.000 2.414 144 A HA 0.737 5.058 4.320 0.001 0.000 0.306 144 A C -0.774 176.821 177.584 0.018 0.000 1.054 144 A CA -0.673 51.442 52.037 0.129 0.000 0.724 144 A CB 1.626 20.685 19.000 0.098 0.000 1.267 144 A HN 0.437 nan 8.150 nan 0.000 0.418 145 V N -0.156 119.728 119.914 -0.051 0.000 2.656 145 V HA 0.914 5.034 4.120 0.001 0.000 0.307 145 V C -0.809 175.296 176.094 0.018 0.000 1.051 145 V CA -0.742 61.519 62.300 -0.064 0.000 0.893 145 V CB 1.296 32.990 31.823 -0.213 0.000 0.999 145 V HN 0.847 nan 8.190 nan 0.000 0.426 146 V N 2.746 122.716 119.914 0.093 0.000 2.577 146 V HA 0.658 4.778 4.120 0.001 0.000 0.303 146 V C 0.000 176.190 176.094 0.159 0.000 1.042 146 V CA -0.256 62.109 62.300 0.109 0.000 0.872 146 V CB 1.717 33.596 31.823 0.093 0.000 0.998 146 V HN 1.072 nan 8.190 nan 0.000 0.423 147 S N 4.100 119.860 115.700 0.101 0.000 2.601 147 S HA 0.766 5.236 4.470 0.001 0.000 0.312 147 S C -0.574 174.082 174.600 0.094 0.000 1.107 147 S CA -0.388 57.864 58.200 0.086 0.000 1.129 147 S CB 0.691 63.907 63.200 0.028 0.000 0.982 147 S HN 1.115 nan 8.310 nan 0.000 0.469 148 V N 2.078 122.073 119.914 0.135 0.000 3.158 148 V HA 1.032 5.152 4.120 0.001 0.000 0.311 148 V C -0.065 176.096 176.094 0.112 0.000 1.181 148 V CA -1.156 61.219 62.300 0.125 0.000 1.054 148 V CB 1.161 33.080 31.823 0.161 0.000 1.085 148 V HN 0.872 nan 8.190 nan 0.000 0.446 149 A N 0.993 123.870 122.820 0.095 0.000 2.310 149 A HA 0.829 5.150 4.320 0.001 0.000 0.299 149 A C -1.755 175.890 177.584 0.101 0.000 1.147 149 A CA -1.660 50.425 52.037 0.080 0.000 0.818 149 A CB 0.840 19.875 19.000 0.058 0.000 1.096 149 A HN 0.789 nan 8.150 nan 0.000 0.495 150 P HA -0.060 nan 4.420 nan 0.000 0.222 150 P C 0.330 177.680 177.300 0.084 0.000 1.147 150 P CA 0.945 64.101 63.100 0.093 0.000 0.790 150 P CB 0.314 32.051 31.700 0.061 0.000 0.780 151 E N 0.543 120.782 120.200 0.066 0.000 2.351 151 E HA 0.117 4.468 4.350 0.001 0.000 0.236 151 E C 0.000 176.635 176.600 0.058 0.000 1.341 151 E CA 0.250 56.684 56.400 0.056 0.000 1.579 151 E CB -0.557 29.168 29.700 0.042 0.000 1.393 151 E HN 0.365 nan 8.360 nan 0.000 0.438 152 E N 0.394 120.639 120.200 0.075 0.000 2.256 152 E HA 0.182 4.532 4.350 0.001 0.000 0.268 152 E C -0.510 176.144 176.600 0.091 0.000 0.877 152 E CA -0.466 55.975 56.400 0.068 0.000 0.757 152 E CB 1.986 31.723 29.700 0.062 0.000 1.183 152 E HN 0.085 nan 8.360 nan 0.000 0.418 153 S N 2.734 118.478 115.700 0.073 0.000 2.560 153 S HA -0.004 4.466 4.470 0.001 0.000 0.284 153 S C 1.191 175.864 174.600 0.122 0.000 1.327 153 S CA -0.717 57.543 58.200 0.100 0.000 1.055 153 S CB 0.691 63.929 63.200 0.063 0.000 0.868 153 S HN 0.811 nan 8.310 nan 0.000 0.506 154 W N 3.721 125.028 121.300 0.012 0.000 2.350 154 W HA -0.142 4.519 4.660 0.001 0.000 0.289 154 W C 1.607 178.119 176.519 -0.013 0.000 1.215 154 W CA 1.348 58.691 57.345 -0.003 0.000 1.236 154 W CB -0.996 28.470 29.460 0.011 0.000 1.130 154 W HN 0.916 nan 8.180 nan 0.000 0.541 155 G N 1.389 110.042 108.800 -0.245 0.000 2.476 155 G HA2 -0.348 3.613 3.960 0.001 0.000 0.218 155 G HA3 -0.348 3.613 3.960 0.001 0.000 0.218 155 G C 1.668 176.363 174.900 -0.341 0.000 1.164 155 G CA 1.215 46.113 45.100 -0.336 0.000 0.768 155 G HN 0.142 nan 8.290 nan 0.000 0.560 156 K N 0.040 120.321 120.400 -0.198 0.000 2.155 156 K HA 0.047 4.367 4.320 0.001 0.000 0.203 156 K C 2.661 179.140 176.600 -0.203 0.000 1.052 156 K CA 0.712 56.908 56.287 -0.152 0.000 0.948 156 K CB -0.180 32.281 32.500 -0.065 0.000 0.728 156 K HN 0.314 nan 8.250 nan 0.000 0.448 157 V N 2.062 121.825 119.914 -0.251 0.000 2.273 157 V HA -0.237 3.883 4.120 0.001 0.000 0.242 157 V C 2.440 178.252 176.094 -0.469 0.000 1.035 157 V CA 1.882 64.037 62.300 -0.242 0.000 1.013 157 V CB -0.682 31.137 31.823 -0.007 0.000 0.652 157 V HN 0.382 nan 8.190 nan 0.000 0.452 158 R N 0.996 120.887 120.500 -1.016 0.000 2.153 158 R HA -0.279 4.062 4.340 0.001 0.000 0.252 158 R C 2.255 178.276 176.300 -0.465 0.000 1.158 158 R CA 2.086 57.549 56.100 -1.061 0.000 0.975 158 R CB -0.633 28.820 30.300 -1.413 0.000 0.871 158 R HN 0.331 nan 8.270 nan 0.000 0.450 159 K N 0.720 120.898 120.400 -0.371 0.000 2.025 159 K HA -0.056 4.264 4.320 0.001 0.000 0.207 159 K C 2.063 178.571 176.600 -0.154 0.000 1.049 159 K CA 0.927 57.088 56.287 -0.210 0.000 0.933 159 K CB -0.199 32.199 32.500 -0.171 0.000 0.714 159 K HN 0.236 nan 8.250 nan 0.000 0.438 160 L N 1.403 122.530 121.223 -0.160 0.000 2.056 160 L HA -0.155 4.185 4.340 0.001 0.000 0.207 160 L C 2.382 179.198 176.870 -0.089 0.000 1.078 160 L CA 1.167 55.947 54.840 -0.100 0.000 0.749 160 L CB -0.981 41.029 42.059 -0.082 0.000 0.901 160 L HN 0.111 nan 8.230 nan 0.000 0.433 161 L N -1.095 120.046 121.223 -0.137 0.000 1.978 161 L HA -0.262 4.079 4.340 0.001 0.000 0.218 161 L C 2.669 179.508 176.870 -0.051 0.000 1.075 161 L CA 1.683 56.461 54.840 -0.104 0.000 0.767 161 L CB -1.130 40.845 42.059 -0.139 0.000 0.890 161 L HN 0.094 nan 8.230 nan 0.000 0.434 162 V N -0.500 119.377 119.914 -0.061 0.000 2.343 162 V HA -0.314 3.807 4.120 0.001 0.000 0.247 162 V C 2.165 178.254 176.094 -0.009 0.000 1.051 162 V CA 2.131 64.417 62.300 -0.023 0.000 1.036 162 V CB -0.400 31.407 31.823 -0.027 0.000 0.654 162 V HN 0.519 nan 8.190 nan 0.000 0.451 163 D N 0.392 120.777 120.400 -0.025 0.000 2.149 163 D HA -0.208 4.433 4.640 0.001 0.000 0.194 163 D C 2.209 178.517 176.300 0.013 0.000 1.001 163 D CA 1.924 55.918 54.000 -0.009 0.000 0.849 163 D CB -0.422 40.367 40.800 -0.019 0.000 0.939 163 D HN 0.587 nan 8.370 nan 0.000 0.449 164 A N 0.968 123.798 122.820 0.016 0.000 1.858 164 A HA -0.167 4.153 4.320 0.001 0.000 0.216 164 A C 2.422 180.042 177.584 0.059 0.000 1.190 164 A CA 1.290 53.350 52.037 0.039 0.000 0.617 164 A CB -0.749 18.273 19.000 0.037 0.000 0.827 164 A HN 0.251 nan 8.150 nan 0.000 0.443 165 I N -0.210 120.396 120.570 0.060 0.000 2.145 165 I HA -0.279 3.891 4.170 0.001 0.000 0.244 165 I C 2.302 178.474 176.117 0.092 0.000 1.075 165 I CA 1.123 62.477 61.300 0.088 0.000 1.332 165 I CB -0.900 37.156 38.000 0.093 0.000 1.033 165 I HN 0.209 nan 8.210 nan 0.000 0.410 166 L N 0.597 121.857 121.223 0.062 0.000 1.955 166 L HA -0.188 4.152 4.340 0.001 0.000 0.213 166 L C 2.724 179.625 176.870 0.053 0.000 1.072 166 L CA 1.743 56.611 54.840 0.047 0.000 0.755 166 L CB -1.634 40.440 42.059 0.025 0.000 0.888 166 L HN 0.263 nan 8.230 nan 0.000 0.432 167 R N -0.022 120.509 120.500 0.052 0.000 2.168 167 R HA -0.288 4.053 4.340 0.001 0.000 0.242 167 R C 2.172 178.518 176.300 0.077 0.000 1.123 167 R CA 2.174 58.310 56.100 0.059 0.000 0.928 167 R CB -1.051 29.287 30.300 0.064 0.000 0.873 167 R HN 0.556 nan 8.270 nan 0.000 0.434 168 Q N 0.368 120.226 119.800 0.096 0.000 2.112 168 Q HA -0.133 4.207 4.340 0.001 0.000 0.206 168 Q C 2.177 178.243 176.000 0.110 0.000 0.987 168 Q CA 1.544 57.417 55.803 0.116 0.000 0.858 168 Q CB -0.271 28.546 28.738 0.130 0.000 0.905 168 Q HN 0.350 nan 8.270 nan 0.000 0.420 169 L N 0.410 121.698 121.223 0.108 0.000 2.131 169 L HA -0.126 4.214 4.340 0.001 0.000 0.210 169 L C 2.419 179.328 176.870 0.066 0.000 1.092 169 L CA 1.657 56.559 54.840 0.103 0.000 0.759 169 L CB -0.435 41.675 42.059 0.084 0.000 0.903 169 L HN 0.457 nan 8.230 nan 0.000 0.435 170 V N -1.511 118.436 119.914 0.054 0.000 2.591 170 V HA -0.174 3.946 4.120 0.001 0.000 0.249 170 V C 1.866 177.984 176.094 0.039 0.000 1.053 170 V CA 1.788 64.109 62.300 0.035 0.000 1.068 170 V CB -0.343 31.494 31.823 0.024 0.000 0.689 170 V HN 0.388 nan 8.190 nan 0.000 0.462 171 D N 0.309 120.745 120.400 0.059 0.000 2.224 171 D HA -0.059 4.581 4.640 0.001 0.000 0.205 171 D C 2.273 178.610 176.300 0.062 0.000 0.965 171 D CA 1.436 55.475 54.000 0.065 0.000 0.852 171 D CB 0.160 41.019 40.800 0.098 0.000 0.947 171 D HN 0.481 nan 8.370 nan 0.000 0.494 172 V N 2.137 122.095 119.914 0.073 0.000 2.287 172 V HA -0.269 3.851 4.120 0.001 0.000 0.248 172 V C 2.521 178.641 176.094 0.044 0.000 1.053 172 V CA 2.299 64.644 62.300 0.074 0.000 1.027 172 V CB -0.609 31.276 31.823 0.103 0.000 0.646 172 V HN 0.369 nan 8.190 nan 0.000 0.447 173 E N 0.242 120.460 120.200 0.029 0.000 2.230 173 E HA -0.190 4.160 4.350 0.001 0.000 0.192 173 E C 2.187 178.774 176.600 -0.023 0.000 0.987 173 E CA 0.874 57.277 56.400 0.005 0.000 0.841 173 E CB -0.275 29.426 29.700 0.001 0.000 0.783 173 E HN 0.543 nan 8.360 nan 0.000 0.481 174 K N 0.698 121.086 120.400 -0.021 0.000 2.032 174 K HA -0.182 4.139 4.320 0.001 0.000 0.209 174 K C 2.200 178.736 176.600 -0.107 0.000 1.048 174 K CA 1.611 57.868 56.287 -0.049 0.000 0.927 174 K CB -0.375 32.112 32.500 -0.022 0.000 0.712 174 K HN 0.279 nan 8.250 nan 0.000 0.441 175 C N 0.754 120.001 119.300 -0.088 0.000 2.455 175 C HA -0.082 4.378 4.460 0.001 0.000 0.281 175 C C 2.482 177.378 174.990 -0.156 0.000 1.237 175 C CA 0.838 59.768 59.018 -0.148 0.000 1.726 175 C CB -0.942 26.770 27.740 -0.045 0.000 2.068 175 C HN 0.572 nan 8.230 nan 0.000 0.466 176 I N 1.055 121.591 120.570 -0.058 0.000 2.181 176 I HA -0.223 3.948 4.170 0.001 0.000 0.247 176 I C 1.230 177.300 176.117 -0.079 0.000 1.081 176 I CA 1.512 62.790 61.300 -0.036 0.000 1.340 176 I CB -0.328 37.674 38.000 0.003 0.000 1.036 176 I HN 0.361 nan 8.210 nan 0.000 0.417 177 L N 1.273 122.436 121.223 -0.100 0.000 2.727 177 L HA 0.147 4.487 4.340 0.001 0.000 0.237 177 L C 1.399 178.156 176.870 -0.188 0.000 1.370 177 L CA 0.302 55.078 54.840 -0.108 0.000 1.248 177 L CB -0.420 41.594 42.059 -0.075 0.000 1.556 177 L HN 0.298 nan 8.230 nan 0.000 0.420 178 R N -0.450 119.876 120.500 -0.291 0.000 2.834 178 R HA 0.087 4.428 4.340 0.001 0.000 0.129 178 R C -0.515 175.481 176.300 -0.507 0.000 0.870 178 R CA -0.160 55.636 56.100 -0.507 0.000 1.989 178 R CB 0.686 30.474 30.300 -0.853 0.000 1.647 178 R HN 0.259 nan 8.270 nan 0.000 0.512 179 Y N 1.391 121.649 120.300 -0.070 0.000 2.575 179 Y HA 0.542 5.093 4.550 0.001 0.000 0.326 179 Y C -0.355 175.519 175.900 -0.043 0.000 0.979 179 Y CA -0.674 57.387 58.100 -0.065 0.000 1.286 179 Y CB 1.649 40.053 38.460 -0.093 0.000 1.093 179 Y HN -0.118 nan 8.280 nan 0.000 0.501 180 M N 3.267 122.922 119.600 0.092 0.000 2.297 180 M HA 0.144 4.625 4.480 0.001 0.000 0.241 180 M C 0.753 177.075 176.300 0.037 0.000 1.106 180 M CA -0.452 54.877 55.300 0.049 0.000 0.809 180 M CB 1.445 34.057 32.600 0.021 0.000 2.236 180 M HN 0.530 nan 8.290 nan 0.000 0.362 181 K N 1.195 121.618 120.400 0.039 0.000 2.107 181 K HA -0.108 4.212 4.320 0.001 0.000 0.211 181 K C 0.863 177.471 176.600 0.013 0.000 1.049 181 K CA 2.449 58.750 56.287 0.024 0.000 0.927 181 K CB 0.225 32.734 32.500 0.016 0.000 0.714 181 K HN 0.791 nan 8.250 nan 0.000 0.452 182 G N -2.807 106.000 108.800 0.011 0.000 3.319 182 G HA2 -0.007 3.953 3.960 0.001 0.000 0.158 182 G HA3 -0.007 3.953 3.960 0.001 0.000 0.158 182 G C 0.053 174.957 174.900 0.007 0.000 1.205 182 G CA 0.120 45.222 45.100 0.004 0.000 1.252 182 G HN 0.019 nan 8.290 nan 0.000 0.668 183 T N 1.449 116.008 114.554 0.008 0.000 3.252 183 T HA 0.232 4.583 4.350 0.001 0.000 0.250 183 T C 0.739 175.453 174.700 0.023 0.000 1.123 183 T CA 0.943 63.053 62.100 0.017 0.000 1.006 183 T CB -1.055 67.826 68.868 0.020 0.000 0.992 183 T HN 0.628 nan 8.240 nan 0.000 0.547 184 S N 1.689 117.401 115.700 0.020 0.000 2.448 184 S HA 0.525 4.995 4.470 0.001 0.000 0.279 184 S C -0.465 174.152 174.600 0.029 0.000 1.195 184 S CA -0.918 57.294 58.200 0.021 0.000 1.051 184 S CB 0.880 64.089 63.200 0.016 0.000 0.948 184 S HN 0.420 nan 8.310 nan 0.000 0.493 185 I N 3.943 124.532 120.570 0.032 0.000 2.439 185 I HA 0.447 4.618 4.170 0.001 0.000 0.285 185 I C -0.758 175.385 176.117 0.042 0.000 1.021 185 I CA -0.874 60.450 61.300 0.040 0.000 1.091 185 I CB 1.678 39.704 38.000 0.043 0.000 1.242 185 I HN 0.625 nan 8.210 nan 0.000 0.439 186 V N 6.473 126.418 119.914 0.052 0.000 2.328 186 V HA 0.548 4.669 4.120 0.001 0.000 0.278 186 V C -0.206 175.922 176.094 0.057 0.000 1.021 186 V CA -0.663 61.667 62.300 0.050 0.000 0.838 186 V CB 0.989 32.838 31.823 0.044 0.000 0.999 186 V HN 0.422 nan 8.190 nan 0.000 0.447 187 V N 7.949 127.893 119.914 0.051 0.000 2.421 187 V HA 0.223 4.343 4.120 0.001 0.000 0.271 187 V C -1.774 174.357 176.094 0.062 0.000 1.031 187 V CA -1.001 61.334 62.300 0.058 0.000 1.032 187 V CB 0.438 32.294 31.823 0.055 0.000 1.009 187 V HN 0.827 nan 8.190 nan 0.000 0.477 188 P HA 0.098 nan 4.420 nan 0.000 0.264 188 P C -0.237 177.121 177.300 0.097 0.000 1.193 188 P CA 0.127 63.279 63.100 0.087 0.000 0.763 188 P CB 0.534 32.286 31.700 0.087 0.000 0.810 189 E N 4.777 125.054 120.200 0.128 0.000 2.174 189 E HA 0.266 4.616 4.350 0.001 0.000 0.282 189 E C -2.194 174.479 176.600 0.123 0.000 0.992 189 E CA -2.586 53.882 56.400 0.113 0.000 0.803 189 E CB 0.734 30.514 29.700 0.134 0.000 1.090 189 E HN 0.321 nan 8.360 nan 0.000 0.396 190 P HA 0.208 nan 4.420 nan 0.000 0.286 190 P C -0.961 176.236 177.300 -0.172 0.000 1.269 190 P CA -0.118 62.982 63.100 0.001 0.000 0.787 190 P CB 0.988 32.685 31.700 -0.006 0.000 0.920 191 L N 3.631 124.735 121.223 -0.199 0.000 2.393 191 L HA 0.513 4.853 4.340 0.001 0.000 0.260 191 L C 0.066 176.633 176.870 -0.503 0.000 1.002 191 L CA -0.858 53.732 54.840 -0.416 0.000 0.818 191 L CB 2.145 44.049 42.059 -0.260 0.000 1.369 191 L HN 0.412 nan 8.230 nan 0.000 0.412 192 H N 1.639 120.550 119.070 -0.265 0.000 2.538 192 H HA 0.560 5.117 4.556 0.001 0.000 0.353 192 H C -1.362 173.669 175.328 -0.495 0.000 1.109 192 H CA -0.560 55.391 56.048 -0.162 0.000 1.192 192 H CB 1.812 31.619 29.762 0.075 0.000 1.555 192 H HN 0.248 nan 8.280 nan 0.000 0.518 193 F N 0.489 120.507 119.950 0.114 0.000 2.563 193 F HA 0.263 4.790 4.527 0.001 0.000 0.316 193 F C 0.474 176.201 175.800 -0.122 0.000 1.076 193 F CA -0.796 57.201 58.000 -0.005 0.000 0.921 193 F CB 2.263 41.245 39.000 -0.031 0.000 1.209 193 F HN 0.327 nan 8.300 nan 0.000 0.462 194 Q N 3.808 123.634 119.800 0.045 0.000 2.431 194 Q HA 0.481 4.822 4.340 0.001 0.000 0.249 194 Q C -1.384 174.596 176.000 -0.033 0.000 1.025 194 Q CA -0.390 55.362 55.803 -0.084 0.000 0.835 194 Q CB 0.833 29.491 28.738 -0.133 0.000 1.207 194 Q HN 0.687 nan 8.270 nan 0.000 0.490 195 L N 5.816 126.983 121.223 -0.094 0.000 2.350 195 L HA 0.263 4.604 4.340 0.001 0.000 0.275 195 L C -1.241 175.601 176.870 -0.047 0.000 1.099 195 L CA -1.721 53.053 54.840 -0.111 0.000 0.808 195 L CB 0.333 42.245 42.059 -0.246 0.000 1.149 195 L HN 0.579 nan 8.230 nan 0.000 0.442 196 P HA -0.250 nan 4.420 nan 0.000 0.223 196 P C 0.591 177.901 177.300 0.016 0.000 1.073 196 P CA 1.432 64.557 63.100 0.041 0.000 1.008 196 P CB -0.271 31.464 31.700 0.059 0.000 0.760 197 G N 0.849 109.649 108.800 -0.000 0.000 2.428 197 G HA2 0.202 4.162 3.960 0.001 0.000 0.293 197 G HA3 0.202 4.162 3.960 0.001 0.000 0.293 197 G C -0.380 174.515 174.900 -0.008 0.000 1.059 197 G CA -0.464 44.638 45.100 0.003 0.000 1.194 197 G HN 0.359 nan 8.290 nan 0.000 0.435 198 K N 1.715 122.113 120.400 -0.004 0.000 2.320 198 K HA 0.128 4.449 4.320 0.001 0.000 0.269 198 K C -0.439 176.150 176.600 -0.018 0.000 1.182 198 K CA 0.233 56.512 56.287 -0.014 0.000 1.190 198 K CB -0.251 32.248 32.500 -0.001 0.000 0.850 198 K HN 0.452 nan 8.250 nan 0.000 0.467 199 K N 2.824 123.201 120.400 -0.037 0.000 2.670 199 K HA 0.267 4.588 4.320 0.001 0.000 0.274 199 K C -1.024 175.545 176.600 -0.052 0.000 1.068 199 K CA -0.677 55.592 56.287 -0.031 0.000 0.967 199 K CB 0.392 32.888 32.500 -0.007 0.000 1.297 199 K HN 0.662 nan 8.250 nan 0.000 0.477 200 N N 0.763 119.424 118.700 -0.065 0.000 2.615 200 N HA -0.233 4.507 4.740 0.001 0.000 0.167 200 N C -1.008 174.411 175.510 -0.152 0.000 0.858 200 N CA 0.689 53.688 53.050 -0.085 0.000 0.890 200 N CB -0.271 38.196 38.487 -0.034 0.000 0.837 200 N HN 0.363 nan 8.380 nan 0.000 0.671 201 L N 0.771 121.909 121.223 -0.141 0.000 2.323 201 L HA 0.710 5.050 4.340 0.001 0.000 0.265 201 L C -0.263 176.593 176.870 -0.024 0.000 1.012 201 L CA -0.547 54.201 54.840 -0.153 0.000 0.820 201 L CB 1.502 43.427 42.059 -0.223 0.000 1.334 201 L HN 0.508 nan 8.230 nan 0.000 0.427 202 V N 0.578 120.513 119.914 0.034 0.000 2.459 202 V HA 0.644 4.764 4.120 0.001 0.000 0.295 202 V C -0.177 176.101 176.094 0.306 0.000 1.029 202 V CA -0.001 62.369 62.300 0.116 0.000 0.874 202 V CB 1.869 33.629 31.823 -0.104 0.000 0.985 202 V HN 0.891 nan 8.190 nan 0.000 0.438 203 T N 6.073 120.833 114.554 0.344 0.000 2.829 203 T HA 0.716 5.067 4.350 0.001 0.000 0.282 203 T C -0.469 174.451 174.700 0.366 0.000 0.990 203 T CA -0.320 62.035 62.100 0.425 0.000 1.028 203 T CB 1.500 70.626 68.868 0.431 0.000 0.951 203 T HN 0.704 nan 8.240 nan 0.000 0.460 204 V N 3.302 123.440 119.914 0.375 0.000 2.962 204 V HA 0.479 4.600 4.120 0.001 0.000 0.313 204 V C -0.642 175.663 176.094 0.351 0.000 1.099 204 V CA -1.011 61.521 62.300 0.385 0.000 0.971 204 V CB 2.176 34.277 31.823 0.462 0.000 1.028 204 V HN 0.725 nan 8.190 nan 0.000 0.430 205 L N 3.255 124.697 121.223 0.364 0.000 2.287 205 L HA 0.441 4.781 4.340 0.001 0.000 0.280 205 L C -0.884 176.206 176.870 0.366 0.000 1.055 205 L CA -0.195 54.824 54.840 0.297 0.000 0.863 205 L CB 0.320 42.494 42.059 0.191 0.000 1.245 205 L HN 0.594 nan 8.230 nan 0.000 0.432 206 Y N 4.745 125.177 120.300 0.220 0.000 2.359 206 Y HA 0.215 4.766 4.550 0.001 0.000 0.334 206 Y C -1.828 174.137 175.900 0.109 0.000 1.058 206 Y CA -1.963 56.267 58.100 0.216 0.000 1.244 206 Y CB 1.265 39.870 38.460 0.241 0.000 1.187 206 Y HN 0.378 nan 8.280 nan 0.000 0.510 207 P HA 0.019 nan 4.420 nan 0.000 0.271 207 P C 0.118 177.368 177.300 -0.084 0.000 1.380 207 P CA 0.456 63.489 63.100 -0.112 0.000 0.992 207 P CB 0.744 32.300 31.700 -0.240 0.000 1.230 208 S N 2.135 117.852 115.700 0.028 0.000 2.626 208 S HA -0.061 4.409 4.470 0.001 0.000 0.245 208 S C 1.732 176.343 174.600 0.019 0.000 0.973 208 S CA 1.342 59.576 58.200 0.056 0.000 0.959 208 S CB -0.563 62.678 63.200 0.069 0.000 0.762 208 S HN 0.592 nan 8.310 nan 0.000 0.539 209 G N 1.617 110.401 108.800 -0.026 0.000 2.695 209 G HA2 0.214 4.174 3.960 0.001 0.000 0.219 209 G HA3 0.214 4.174 3.960 0.001 0.000 0.219 209 G C 0.427 175.299 174.900 -0.048 0.000 1.295 209 G CA -0.366 44.714 45.100 -0.032 0.000 0.882 209 G HN 0.544 nan 8.290 nan 0.000 0.570 210 I N 2.846 123.354 120.570 -0.104 0.000 2.741 210 I HA 0.184 4.354 4.170 0.001 0.000 0.288 210 I C -1.988 174.088 176.117 -0.068 0.000 1.192 210 I CA -1.463 59.773 61.300 -0.107 0.000 1.426 210 I CB 0.333 38.219 38.000 -0.189 0.000 1.367 210 I HN 0.103 nan 8.210 nan 0.000 0.563 211 P HA 0.072 nan 4.420 nan 0.000 0.297 211 P C -0.235 177.098 177.300 0.056 0.000 1.303 211 P CA -0.352 62.773 63.100 0.042 0.000 0.753 211 P CB 0.501 32.228 31.700 0.045 0.000 1.281 212 D N 0.043 120.513 120.400 0.116 0.000 2.906 212 D HA -0.062 4.578 4.640 0.001 0.000 0.237 212 D C 0.472 176.827 176.300 0.093 0.000 1.201 212 D CA 0.792 54.881 54.000 0.149 0.000 0.998 212 D CB -0.510 40.387 40.800 0.160 0.000 1.183 212 D HN 0.425 nan 8.370 nan 0.000 0.436 213 D N -1.452 118.979 120.400 0.051 0.000 3.208 213 D HA -0.079 4.561 4.640 0.001 0.000 0.281 213 D C 1.408 177.719 176.300 0.017 0.000 1.328 213 D CA -0.063 53.958 54.000 0.035 0.000 1.102 213 D CB -0.267 40.548 40.800 0.025 0.000 1.267 213 D HN -0.209 nan 8.370 nan 0.000 0.405 214 Q N -0.269 119.519 119.800 -0.020 0.000 2.403 214 Q HA 0.374 4.715 4.340 0.001 0.000 0.203 214 Q C 1.168 177.133 176.000 -0.058 0.000 0.932 214 Q CA 0.263 56.043 55.803 -0.040 0.000 0.945 214 Q CB 0.127 28.822 28.738 -0.071 0.000 1.045 214 Q HN 0.405 nan 8.270 nan 0.000 0.511 215 L N -0.666 120.530 121.223 -0.046 0.000 2.591 215 L HA 0.079 4.420 4.340 0.001 0.000 0.228 215 L C 1.990 178.922 176.870 0.104 0.000 1.133 215 L CA 0.181 55.007 54.840 -0.023 0.000 0.880 215 L CB -0.053 41.932 42.059 -0.123 0.000 1.033 215 L HN 0.251 nan 8.230 nan 0.000 0.450 216 Q N 0.995 120.848 119.800 0.088 0.000 2.050 216 Q HA -0.237 4.103 4.340 0.001 0.000 0.202 216 Q C 2.433 178.496 176.000 0.105 0.000 0.980 216 Q CA 2.073 57.938 55.803 0.104 0.000 0.840 216 Q CB -0.050 28.735 28.738 0.078 0.000 0.898 216 Q HN 0.547 nan 8.270 nan 0.000 0.424 217 A N -0.021 122.856 122.820 0.095 0.000 1.903 217 A HA -0.272 4.049 4.320 0.001 0.000 0.219 217 A C 1.902 179.581 177.584 0.158 0.000 1.191 217 A CA 1.745 53.849 52.037 0.111 0.000 0.638 217 A CB -1.240 17.820 19.000 0.100 0.000 0.823 217 A HN 0.707 nan 8.150 nan 0.000 0.451 218 Y N -0.002 120.317 120.300 0.033 0.000 2.114 218 Y HA -0.247 4.303 4.550 0.001 0.000 0.284 218 Y C 2.763 178.687 175.900 0.040 0.000 1.143 218 Y CA 1.974 60.097 58.100 0.038 0.000 1.135 218 Y CB -0.156 38.310 38.460 0.010 0.000 0.980 218 Y HN 0.229 nan 8.280 nan 0.000 0.499 219 R N 0.329 120.845 120.500 0.028 0.000 2.096 219 R HA -0.229 4.111 4.340 0.001 0.000 0.240 219 R C 2.330 178.656 176.300 0.044 0.000 1.139 219 R CA 1.928 58.024 56.100 -0.007 0.000 0.952 219 R CB -0.358 30.100 30.300 0.263 0.000 0.854 219 R HN 0.308 nan 8.270 nan 0.000 0.436 220 K N 0.965 121.418 120.400 0.087 0.000 2.020 220 K HA -0.228 4.092 4.320 0.001 0.000 0.212 220 K C 1.974 178.584 176.600 0.017 0.000 1.050 220 K CA 1.904 58.206 56.287 0.024 0.000 0.929 220 K CB -0.032 32.487 32.500 0.032 0.000 0.714 220 K HN 0.188 nan 8.250 nan 0.000 0.443 221 E N 0.292 120.468 120.200 -0.039 0.000 2.097 221 E HA -0.238 4.112 4.350 0.001 0.000 0.196 221 E C 2.006 178.481 176.600 -0.209 0.000 1.000 221 E CA 1.574 57.924 56.400 -0.084 0.000 0.804 221 E CB -0.131 29.527 29.700 -0.069 0.000 0.740 221 E HN 0.236 nan 8.360 nan 0.000 0.454 222 L N 0.275 121.243 121.223 -0.425 0.000 2.042 222 L HA -0.241 4.099 4.340 0.001 0.000 0.210 222 L C 2.511 179.199 176.870 -0.304 0.000 1.076 222 L CA 1.223 55.690 54.840 -0.622 0.000 0.749 222 L CB -0.639 40.642 42.059 -1.296 0.000 0.893 222 L HN 0.273 nan 8.230 nan 0.000 0.432 223 H N 0.259 119.250 119.070 -0.132 0.000 2.253 223 H HA -0.198 4.358 4.556 0.001 0.000 0.296 223 H C 1.974 177.349 175.328 0.079 0.000 1.074 223 H CA 2.396 58.493 56.048 0.081 0.000 1.263 223 H CB -0.300 29.387 29.762 -0.126 0.000 1.363 223 H HN 0.430 nan 8.280 nan 0.000 0.489 224 D N 0.807 121.329 120.400 0.204 0.000 2.123 224 D HA -0.130 4.510 4.640 0.001 0.000 0.196 224 D C 2.388 178.692 176.300 0.007 0.000 0.992 224 D CA 0.613 54.700 54.000 0.145 0.000 0.833 224 D CB -0.255 40.617 40.800 0.119 0.000 0.954 224 D HN 0.186 nan 8.370 nan 0.000 0.455 225 L N -0.256 120.894 121.223 -0.121 0.000 1.989 225 L HA -0.188 4.153 4.340 0.001 0.000 0.211 225 L C 1.008 177.674 176.870 -0.340 0.000 1.071 225 L CA 1.532 56.180 54.840 -0.320 0.000 0.749 225 L CB -0.159 41.563 42.059 -0.561 0.000 0.890 225 L HN 0.025 nan 8.230 nan 0.000 0.431 226 F N 0.863 120.784 119.950 -0.048 0.000 2.676 226 F HA 0.130 4.657 4.527 0.001 0.000 0.300 226 F C 1.156 176.949 175.800 -0.013 0.000 1.160 226 F CA 0.120 58.106 58.000 -0.024 0.000 1.401 226 F CB -1.047 37.953 39.000 0.000 0.000 1.037 226 F HN 0.284 nan 8.300 nan 0.000 0.522 227 N N 0.920 119.696 118.700 0.127 0.000 2.714 227 N HA -0.237 4.503 4.740 0.001 0.000 0.250 227 N C -0.770 174.805 175.510 0.110 0.000 1.117 227 N CA 0.437 53.547 53.050 0.102 0.000 0.719 227 N CB -1.250 37.284 38.487 0.079 0.000 1.081 227 N HN 0.323 nan 8.380 nan 0.000 0.557 228 L N 0.342 121.652 121.223 0.145 0.000 2.295 228 L HA 0.502 4.843 4.340 0.001 0.000 0.285 228 L C -1.652 175.389 176.870 0.285 0.000 1.035 228 L CA -1.823 53.075 54.840 0.096 0.000 0.806 228 L CB 1.260 43.233 42.059 -0.142 0.000 1.214 228 L HN -0.076 nan 8.230 nan 0.000 0.426 229 P HA -0.104 nan 4.420 nan 0.000 0.268 229 P C -0.348 177.180 177.300 0.380 0.000 1.189 229 P CA 0.247 63.532 63.100 0.309 0.000 0.771 229 P CB 0.352 32.205 31.700 0.255 0.000 0.822 230 H N -0.120 118.972 119.070 0.036 0.000 2.567 230 H HA 0.025 4.581 4.556 0.001 0.000 0.294 230 H C 1.006 176.324 175.328 -0.016 0.000 1.050 230 H CA 0.338 56.316 56.048 -0.117 0.000 1.168 230 H CB -0.686 29.013 29.762 -0.105 0.000 1.422 230 H HN 0.503 nan 8.280 nan 0.000 0.562 231 D N -0.606 119.904 120.400 0.183 0.000 2.197 231 D HA -0.065 4.575 4.640 0.001 0.000 0.212 231 D C 1.097 177.499 176.300 0.170 0.000 0.963 231 D CA 0.226 54.326 54.000 0.166 0.000 0.864 231 D CB 0.350 41.248 40.800 0.164 0.000 1.009 231 D HN 0.305 nan 8.370 nan 0.000 0.479 232 R N -0.293 120.305 120.500 0.164 0.000 2.875 232 R HA 0.613 4.954 4.340 0.001 0.000 0.251 232 R C -2.904 173.384 176.300 -0.020 0.000 1.123 232 R CA -2.126 54.017 56.100 0.072 0.000 1.064 232 R CB 0.271 30.556 30.300 -0.024 0.000 1.205 232 R HN -0.147 nan 8.270 nan 0.000 0.503 233 P HA 0.158 nan 4.420 nan 0.000 0.280 233 P C -1.052 176.038 177.300 -0.349 0.000 1.244 233 P CA -0.148 62.841 63.100 -0.185 0.000 0.784 233 P CB 0.311 31.809 31.700 -0.336 0.000 0.913 234 Y N 0.643 120.789 120.300 -0.257 0.000 2.452 234 Y HA 0.325 4.875 4.550 0.001 0.000 0.262 234 Y C 0.837 176.080 175.900 -1.096 0.000 1.089 234 Y CA 0.447 58.104 58.100 -0.739 0.000 1.262 234 Y CB 0.434 38.175 38.460 -1.199 0.000 1.236 234 Y HN 0.218 nan 8.280 nan 0.000 0.512 235 F N 0.163 119.920 119.950 -0.321 0.000 2.791 235 F HA 0.306 4.833 4.527 0.001 0.000 0.316 235 F C 0.353 175.961 175.800 -0.319 0.000 1.134 235 F CA -0.879 56.705 58.000 -0.694 0.000 1.222 235 F CB 0.082 38.704 39.000 -0.629 0.000 1.034 235 F HN -0.393 nan 8.300 nan 0.000 0.516 236 K N 0.371 120.765 120.400 -0.010 0.000 2.219 236 K HA 0.229 4.550 4.320 0.001 0.000 0.258 236 K C 1.155 177.759 176.600 0.006 0.000 1.008 236 K CA -0.537 55.757 56.287 0.012 0.000 0.928 236 K CB 0.996 33.504 32.500 0.014 0.000 0.983 236 K HN 0.186 nan 8.250 nan 0.000 0.484 237 R N 0.732 121.181 120.500 -0.084 0.000 2.140 237 R HA -0.222 4.118 4.340 0.001 0.000 0.250 237 R C 2.015 178.307 176.300 -0.014 0.000 1.150 237 R CA 1.721 57.779 56.100 -0.071 0.000 0.966 237 R CB -0.403 29.914 30.300 0.028 0.000 0.869 237 R HN 0.533 nan 8.270 nan 0.000 0.445 238 I N 0.778 121.351 120.570 0.005 0.000 3.564 238 I HA -0.066 4.104 4.170 0.001 0.000 0.294 238 I C 0.394 176.518 176.117 0.012 0.000 1.289 238 I CA 0.880 62.173 61.300 -0.011 0.000 1.325 238 I CB -0.005 37.966 38.000 -0.047 0.000 1.039 238 I HN 0.146 nan 8.210 nan 0.000 0.474 239 N N 0.684 119.441 118.700 0.093 0.000 2.336 239 N HA 0.213 4.953 4.740 0.001 0.000 0.189 239 N C 0.801 176.432 175.510 0.201 0.000 1.113 239 N CA 0.116 53.253 53.050 0.144 0.000 0.858 239 N CB 0.172 38.718 38.487 0.098 0.000 0.970 239 N HN 0.302 nan 8.380 nan 0.000 0.471 240 A N 0.747 123.538 122.820 -0.049 0.000 2.429 240 A HA -0.029 4.292 4.320 0.001 0.000 0.242 240 A C -0.270 177.232 177.584 -0.138 0.000 1.088 240 A CA -0.104 51.631 52.037 -0.503 0.000 0.784 240 A CB -0.050 18.660 19.000 -0.484 0.000 1.038 240 A HN 0.313 nan 8.150 nan 0.000 0.501 241 Y N 0.085 120.198 120.300 -0.312 0.000 2.480 241 Y HA 0.280 4.830 4.550 0.001 0.000 0.338 241 Y C 0.404 176.176 175.900 -0.212 0.000 1.220 241 Y CA 0.499 58.434 58.100 -0.275 0.000 1.430 241 Y CB 0.255 38.419 38.460 -0.494 0.000 1.311 241 Y HN 0.744 nan 8.280 nan 0.000 0.575 242 H N 5.710 124.295 119.070 -0.809 0.000 2.597 242 H HA 0.311 4.868 4.556 0.001 0.000 0.303 242 H C -1.434 173.274 175.328 -1.034 0.000 1.057 242 H CA -0.635 55.020 56.048 -0.655 0.000 1.261 242 H CB -0.164 29.386 29.762 -0.353 0.000 1.397 242 H HN 0.518 nan 8.280 nan 0.000 0.461 243 F N 7.449 126.862 119.950 -0.895 0.000 2.494 243 F HA 0.148 4.676 4.527 0.001 0.000 0.369 243 F C -1.142 174.318 175.800 -0.567 0.000 1.098 243 F CA -2.064 55.596 58.000 -0.567 0.000 1.154 243 F CB 0.957 39.790 39.000 -0.278 0.000 1.103 243 F HN 0.642 nan 8.300 nan 0.000 0.549 244 P HA -0.205 nan 4.420 nan 0.000 0.224 244 P C 0.631 177.901 177.300 -0.050 0.000 1.142 244 P CA 1.263 64.322 63.100 -0.069 0.000 0.778 244 P CB 0.007 31.710 31.700 0.005 0.000 0.764 245 D N -1.269 119.093 120.400 -0.063 0.000 2.333 245 D HA -0.052 4.589 4.640 0.001 0.000 0.208 245 D C 0.582 176.821 176.300 -0.103 0.000 0.984 245 D CA 0.208 54.169 54.000 -0.065 0.000 0.873 245 D CB -0.846 39.919 40.800 -0.058 0.000 0.935 245 D HN 0.163 nan 8.370 nan 0.000 0.521 246 E N -0.011 120.074 120.200 -0.192 0.000 2.373 246 E HA 0.182 4.532 4.350 0.001 0.000 0.267 246 E C -0.452 176.059 176.600 -0.148 0.000 1.032 246 E CA -0.515 55.745 56.400 -0.233 0.000 0.889 246 E CB 0.731 30.191 29.700 -0.400 0.000 0.984 246 E HN 0.053 nan 8.360 nan 0.000 0.425 247 L N 3.413 124.586 121.223 -0.084 0.000 2.325 247 L HA 0.262 4.602 4.340 0.001 0.000 0.279 247 L C -0.463 176.401 176.870 -0.010 0.000 1.054 247 L CA -0.299 54.538 54.840 -0.004 0.000 0.804 247 L CB 0.134 42.196 42.059 0.004 0.000 1.200 247 L HN 0.545 nan 8.230 nan 0.000 0.436 248 Y N 1.871 122.223 120.300 0.087 0.000 2.393 248 Y HA 0.102 4.653 4.550 0.001 0.000 0.338 248 Y C 1.115 177.008 175.900 -0.013 0.000 1.029 248 Y CA -0.264 57.865 58.100 0.048 0.000 1.239 248 Y CB 0.583 39.043 38.460 -0.001 0.000 1.170 248 Y HN 0.436 nan 8.280 nan 0.000 0.515 249 K N 1.048 121.512 120.400 0.108 0.000 3.173 249 K HA 0.130 4.450 4.320 0.001 0.000 0.255 249 K C -0.875 175.710 176.600 -0.025 0.000 1.235 249 K CA 0.089 56.390 56.287 0.023 0.000 1.250 249 K CB -0.221 32.283 32.500 0.008 0.000 1.382 249 K HN 0.639 nan 8.250 nan 0.000 0.421 250 D N -1.683 118.667 120.400 -0.083 0.000 2.497 250 D HA 0.108 4.749 4.640 0.001 0.000 0.256 250 D C 1.101 177.067 176.300 -0.558 0.000 1.273 250 D CA 0.214 54.048 54.000 -0.276 0.000 0.812 250 D CB 0.446 41.106 40.800 -0.232 0.000 1.190 250 D HN 0.275 nan 8.370 nan 0.000 0.524 251 G N -0.058 108.563 108.800 -0.300 0.000 2.358 251 G HA2 -0.289 3.672 3.960 0.001 0.000 0.224 251 G HA3 -0.289 3.672 3.960 0.001 0.000 0.224 251 G C -0.023 174.782 174.900 -0.160 0.000 1.073 251 G CA -0.112 44.834 45.100 -0.257 0.000 0.635 251 G HN 0.380 nan 8.290 nan 0.000 0.509 252 Y N 2.158 122.415 120.300 -0.072 0.000 2.442 252 Y HA 0.480 5.030 4.550 0.001 0.000 0.330 252 Y C 1.632 177.425 175.900 -0.177 0.000 1.129 252 Y CA -0.906 57.098 58.100 -0.160 0.000 1.365 252 Y CB 0.523 38.824 38.460 -0.265 0.000 1.233 252 Y HN 0.107 nan 8.280 nan 0.000 0.529 253 I N 4.494 125.087 120.570 0.038 0.000 2.556 253 I HA 0.073 4.244 4.170 0.001 0.000 0.284 253 I C 0.103 176.115 176.117 -0.175 0.000 1.114 253 I CA 0.054 61.334 61.300 -0.034 0.000 1.418 253 I CB 0.604 38.630 38.000 0.044 0.000 1.394 253 I HN 0.559 nan 8.210 nan 0.000 0.552 254 R N 4.210 124.507 120.500 -0.339 0.000 2.604 254 R HA 0.317 4.657 4.340 0.001 0.000 0.287 254 R C -0.446 175.552 176.300 -0.504 0.000 0.970 254 R CA -0.793 54.977 56.100 -0.551 0.000 0.946 254 R CB 0.581 30.409 30.300 -0.785 0.000 1.127 254 R HN 0.524 nan 8.270 nan 0.000 0.473 255 N N 1.994 120.184 118.700 -0.849 0.000 2.650 255 N HA -0.149 4.591 4.740 0.001 0.000 0.272 255 N C -2.284 172.977 175.510 -0.415 0.000 1.058 255 N CA 0.360 52.948 53.050 -0.770 0.000 0.765 255 N CB -0.704 37.411 38.487 -0.620 0.000 0.902 255 N HN 0.506 nan 8.380 nan 0.000 0.551 256 P HA -0.137 nan 4.420 nan 0.000 0.221 256 P C 1.190 178.467 177.300 -0.039 0.000 1.150 256 P CA 1.104 64.179 63.100 -0.042 0.000 0.800 256 P CB -0.002 31.737 31.700 0.065 0.000 0.787 257 H N -2.877 116.187 119.070 -0.010 0.000 2.544 257 H HA 0.123 4.679 4.556 0.001 0.000 0.269 257 H C 1.557 176.868 175.328 -0.029 0.000 0.970 257 H CA 1.040 57.068 56.048 -0.034 0.000 1.219 257 H CB -0.888 28.835 29.762 -0.065 0.000 1.421 257 H HN -0.057 nan 8.280 nan 0.000 0.555 258 T N 0.704 114.877 114.554 -0.634 0.000 2.624 258 T HA -0.251 4.099 4.350 0.001 0.000 0.268 258 T C 0.751 175.202 174.700 -0.415 0.000 1.041 258 T CA 1.737 63.461 62.100 -0.626 0.000 1.159 258 T CB -0.412 68.045 68.868 -0.684 0.000 0.863 258 T HN 0.486 nan 8.240 nan 0.000 0.434 259 Y N 0.445 120.721 120.300 -0.040 0.000 2.607 259 Y HA 0.485 5.035 4.550 0.001 0.000 0.266 259 Y C 0.490 176.416 175.900 0.043 0.000 1.178 259 Y CA -0.758 57.348 58.100 0.010 0.000 1.226 259 Y CB -0.154 38.304 38.460 -0.004 0.000 1.144 259 Y HN 0.234 nan 8.280 nan 0.000 0.528 260 L N 0.312 121.633 121.223 0.163 0.000 2.453 260 L HA 0.161 4.502 4.340 0.001 0.000 0.272 260 L C 0.778 177.766 176.870 0.196 0.000 1.182 260 L CA 0.019 54.961 54.840 0.171 0.000 0.858 260 L CB 0.734 42.894 42.059 0.168 0.000 1.120 260 L HN 0.035 nan 8.230 nan 0.000 0.474 261 S N 6.040 121.836 115.700 0.161 0.000 2.537 261 S HA 0.160 4.630 4.470 0.001 0.000 0.286 261 S C -2.077 172.578 174.600 0.092 0.000 1.299 261 S CA -1.156 57.112 58.200 0.113 0.000 1.067 261 S CB 0.229 63.472 63.200 0.071 0.000 0.864 261 S HN 0.483 nan 8.310 nan 0.000 0.494 262 P HA 0.092 nan 4.420 nan 0.000 0.263 262 P C -2.516 174.636 177.300 -0.247 0.000 1.168 262 P CA -0.885 62.155 63.100 -0.099 0.000 0.759 262 P CB -0.616 31.038 31.700 -0.077 0.000 0.782 263 P HA 0.157 nan 4.420 nan 0.000 0.277 263 P C 0.450 177.535 177.300 -0.357 0.000 1.240 263 P CA -0.316 62.417 63.100 -0.611 0.000 0.798 263 P CB 0.739 31.694 31.700 -1.241 0.000 0.979 264 N N 0.575 119.134 118.700 -0.234 0.000 2.515 264 N HA 0.036 4.777 4.740 0.001 0.000 0.185 264 N C 0.574 176.004 175.510 -0.133 0.000 1.109 264 N CA 0.363 53.325 53.050 -0.147 0.000 0.903 264 N CB -0.029 38.401 38.487 -0.095 0.000 0.969 264 N HN 0.452 nan 8.380 nan 0.000 0.450 265 I N 2.022 122.493 120.570 -0.165 0.000 2.505 265 I HA -0.025 4.145 4.170 0.001 0.000 0.287 265 I C 0.946 176.989 176.117 -0.122 0.000 1.104 265 I CA -0.008 61.212 61.300 -0.133 0.000 1.387 265 I CB 0.344 38.256 38.000 -0.147 0.000 1.404 265 I HN -0.058 nan 8.210 nan 0.000 0.528 266 E N 3.949 124.092 120.200 -0.096 0.000 2.422 266 E HA 0.126 4.476 4.350 0.001 0.000 0.260 266 E C 1.303 177.845 176.600 -0.098 0.000 1.108 266 E CA 1.279 57.627 56.400 -0.087 0.000 0.943 266 E CB 0.477 30.135 29.700 -0.070 0.000 0.961 266 E HN 0.789 nan 8.360 nan 0.000 0.443 267 G N 1.755 110.499 108.800 -0.093 0.000 2.238 267 G HA2 -0.380 3.581 3.960 0.001 0.000 0.270 267 G HA3 -0.380 3.581 3.960 0.001 0.000 0.270 267 G C 0.308 175.134 174.900 -0.123 0.000 0.977 267 G CA 0.881 45.918 45.100 -0.104 0.000 0.639 267 G HN 0.785 nan 8.290 nan 0.000 0.544 268 S N 0.573 116.198 115.700 -0.126 0.000 2.580 268 S HA 0.622 5.092 4.470 0.001 0.000 0.274 268 S C 0.672 175.220 174.600 -0.087 0.000 1.329 268 S CA 0.091 58.216 58.200 -0.124 0.000 1.036 268 S CB 0.951 64.072 63.200 -0.133 0.000 0.919 268 S HN 1.125 nan 8.310 nan 0.000 0.515 269 M N 2.473 122.048 119.600 -0.041 0.000 2.188 269 M HA 0.527 5.007 4.480 0.001 0.000 0.357 269 M C -1.256 175.058 176.300 0.022 0.000 1.204 269 M CA -0.411 54.894 55.300 0.007 0.000 1.095 269 M CB 0.134 32.770 32.600 0.060 0.000 1.604 269 M HN 0.545 nan 8.290 nan 0.000 0.464 270 I N 3.276 123.843 120.570 -0.005 0.000 2.385 270 I HA 0.353 4.524 4.170 0.001 0.000 0.294 270 I C -0.800 175.351 176.117 0.056 0.000 0.988 270 I CA -0.326 60.968 61.300 -0.009 0.000 1.265 270 I CB 1.654 39.614 38.000 -0.066 0.000 1.388 270 I HN 0.811 nan 8.210 nan 0.000 0.480 271 C N 6.128 125.476 119.300 0.080 0.000 2.781 271 C HA 0.512 4.973 4.460 0.001 0.000 0.348 271 C C -0.096 174.859 174.990 -0.060 0.000 1.051 271 C CA -0.663 58.410 59.018 0.091 0.000 1.347 271 C CB 0.629 28.481 27.740 0.186 0.000 1.846 271 C HN 0.597 nan 8.230 nan 0.000 0.473 272 V N 4.455 124.313 119.914 -0.093 0.000 3.103 272 V HA 0.850 4.971 4.120 0.001 0.000 0.318 272 V C 0.128 176.125 176.094 -0.162 0.000 1.114 272 V CA -0.377 61.718 62.300 -0.342 0.000 1.020 272 V CB 2.296 33.977 31.823 -0.237 0.000 1.085 272 V HN 0.805 nan 8.190 nan 0.000 0.446 273 V N 2.298 122.085 119.914 -0.211 0.000 3.237 273 V HA 0.428 4.548 4.120 0.001 0.000 0.305 273 V C -0.128 176.079 176.094 0.189 0.000 1.096 273 V CA -0.222 62.143 62.300 0.108 0.000 1.130 273 V CB 0.505 32.359 31.823 0.053 0.000 1.048 273 V HN 1.042 nan 8.190 nan 0.000 0.484 274 Q N 1.658 121.640 119.800 0.303 0.000 2.345 274 Q HA 0.714 5.054 4.340 0.001 0.000 0.268 274 Q C 0.222 176.439 176.000 0.361 0.000 1.054 274 Q CA -0.209 55.765 55.803 0.285 0.000 0.835 274 Q CB 1.833 30.697 28.738 0.211 0.000 1.339 274 Q HN 1.811 nan 8.270 nan 0.000 0.447 275 G N 1.619 110.523 108.800 0.173 0.000 2.584 275 G HA2 -0.215 3.745 3.960 0.001 0.000 0.229 275 G HA3 -0.215 3.745 3.960 0.001 0.000 0.229 275 G C -0.533 174.375 174.900 0.013 0.000 1.320 275 G CA -0.279 44.826 45.100 0.008 0.000 0.891 275 G HN 1.132 nan 8.290 nan 0.000 0.573 276 T N -1.530 112.900 114.554 -0.206 0.000 2.908 276 T HA 0.841 5.191 4.350 0.001 0.000 0.290 276 T C -0.535 173.937 174.700 -0.380 0.000 1.034 276 T CA 0.187 62.078 62.100 -0.349 0.000 1.010 276 T CB 2.276 70.810 68.868 -0.558 0.000 1.068 276 T HN 2.191 nan 8.240 nan 0.000 0.481 277 Y N -1.381 118.634 120.300 -0.475 0.000 2.620 277 Y HA 0.753 5.303 4.550 0.001 0.000 0.331 277 Y C -1.316 174.441 175.900 -0.237 0.000 1.173 277 Y CA -1.754 56.211 58.100 -0.226 0.000 1.076 277 Y CB 0.612 39.152 38.460 0.134 0.000 1.336 277 Y HN 1.003 nan 8.280 nan 0.000 0.459 278 A N 2.214 125.045 122.820 0.018 0.000 2.330 278 A HA 0.543 4.863 4.320 0.001 0.000 0.329 278 A C -2.027 175.600 177.584 0.071 0.000 1.135 278 A CA -0.898 51.078 52.037 -0.102 0.000 0.817 278 A CB 1.059 19.953 19.000 -0.178 0.000 1.269 278 A HN 1.048 nan 8.150 nan 0.000 0.469 279 Y N 2.918 123.108 120.300 -0.183 0.000 2.821 279 Y HA 0.171 4.721 4.550 0.001 0.000 0.331 279 Y C -0.068 175.674 175.900 -0.264 0.000 1.251 279 Y CA -0.779 57.287 58.100 -0.057 0.000 1.494 279 Y CB -0.201 38.298 38.460 0.064 0.000 1.493 279 Y HN 0.636 nan 8.280 nan 0.000 0.496 280 H N 4.986 124.089 119.070 0.056 0.000 2.955 280 H HA 0.077 4.633 4.556 0.001 0.000 0.290 280 H C -0.209 175.118 175.328 -0.001 0.000 1.047 280 H CA 0.609 56.545 56.048 -0.186 0.000 1.484 280 H CB 0.386 30.029 29.762 -0.199 0.000 1.501 280 H HN 0.802 nan 8.280 nan 0.000 0.521 281 H N 0.908 119.978 119.070 0.000 0.000 3.747 281 H HA 0.333 4.890 4.556 0.001 0.000 0.343 281 H C -0.816 174.483 175.328 -0.049 0.000 1.692 281 H CA -0.975 55.026 56.048 -0.078 0.000 1.262 281 H CB 0.380 30.020 29.762 -0.203 0.000 1.557 281 H HN 0.436 nan 8.280 nan 0.000 0.722 282 Y N 0.300 120.736 120.300 0.226 0.000 2.299 282 Y HA 0.140 4.690 4.550 0.001 0.000 0.335 282 Y C 0.591 176.503 175.900 0.020 0.000 1.287 282 Y CA -0.824 57.287 58.100 0.018 0.000 1.424 282 Y CB 0.620 39.027 38.460 -0.088 0.000 1.326 282 Y HN 0.469 nan 8.280 nan 0.000 0.567 283 M N 0.135 119.800 119.600 0.109 0.000 2.612 283 M HA -0.303 4.177 4.480 0.001 0.000 0.194 283 M C -0.675 175.638 176.300 0.021 0.000 0.530 283 M CA 0.873 56.177 55.300 0.007 0.000 0.548 283 M CB -2.711 29.867 32.600 -0.037 0.000 2.013 283 M HN 0.724 nan 8.290 nan 0.000 0.711 284 Q N -0.133 119.685 119.800 0.030 0.000 2.180 284 Q HA 0.409 4.750 4.340 0.001 0.000 0.241 284 Q C 0.816 176.860 176.000 0.073 0.000 0.970 284 Q CA -0.623 55.195 55.803 0.025 0.000 0.919 284 Q CB 1.257 29.965 28.738 -0.051 0.000 1.222 284 Q HN 0.321 nan 8.270 nan 0.000 0.482 285 D N -0.159 120.316 120.400 0.125 0.000 4.072 285 D HA -0.299 4.341 4.640 0.001 0.000 0.146 285 D C 0.865 177.193 176.300 0.046 0.000 0.777 285 D CA 1.973 56.036 54.000 0.106 0.000 1.099 285 D CB -0.381 40.495 40.800 0.127 0.000 0.497 285 D HN 0.618 nan 8.370 nan 0.000 0.483 286 R N -0.456 120.059 120.500 0.026 0.000 2.492 286 R HA 0.424 4.765 4.340 0.001 0.000 0.219 286 R C 0.917 177.203 176.300 -0.024 0.000 0.886 286 R CA -0.230 55.870 56.100 0.000 0.000 1.003 286 R CB 0.686 30.986 30.300 0.000 0.000 1.345 286 R HN 0.418 nan 8.270 nan 0.000 0.631 287 I N 1.986 122.529 120.570 -0.045 0.000 2.872 287 I HA -0.091 4.079 4.170 0.001 0.000 0.291 287 I C -0.418 175.631 176.117 -0.114 0.000 1.216 287 I CA 0.488 61.731 61.300 -0.096 0.000 1.424 287 I CB 0.559 38.437 38.000 -0.203 0.000 1.351 287 I HN 0.027 nan 8.210 nan 0.000 0.592 288 D N 6.204 126.566 120.400 -0.064 0.000 2.467 288 D HA 0.114 4.754 4.640 0.001 0.000 0.220 288 D C -0.190 176.100 176.300 -0.017 0.000 1.103 288 D CA -0.383 53.577 54.000 -0.066 0.000 0.886 288 D CB 0.589 41.384 40.800 -0.008 0.000 1.025 288 D HN 0.577 nan 8.370 nan 0.000 0.514 289 D N 1.795 121.927 120.400 -0.447 0.000 2.402 289 D HA -0.006 4.634 4.640 0.001 0.000 0.216 289 D C 0.250 175.742 176.300 -1.347 0.000 1.128 289 D CA -0.534 52.705 54.000 -1.269 0.000 0.833 289 D CB -0.571 39.292 40.800 -1.561 0.000 0.971 289 D HN 0.152 nan 8.370 nan 0.000 0.503 290 N N 0.442 118.578 118.700 -0.940 0.000 2.411 290 N HA 0.253 4.993 4.740 0.001 0.000 0.261 290 N C 1.458 176.818 175.510 -0.250 0.000 1.248 290 N CA 1.998 54.507 53.050 -0.901 0.000 0.885 290 N CB 0.361 38.587 38.487 -0.435 0.000 1.062 290 N HN 0.255 nan 8.380 nan 0.000 0.471 291 G N 3.022 111.767 108.800 -0.092 0.000 2.317 291 G HA2 -0.228 3.732 3.960 0.001 0.000 0.227 291 G HA3 -0.228 3.732 3.960 0.001 0.000 0.227 291 G C 0.539 175.679 174.900 0.400 0.000 1.042 291 G CA 0.509 45.743 45.100 0.224 0.000 0.623 291 G HN 0.752 nan 8.290 nan 0.000 0.509 292 W N -0.226 121.180 121.300 0.176 0.000 2.121 292 W HA 0.541 5.201 4.660 0.001 0.000 0.275 292 W C 1.179 177.985 176.519 0.479 0.000 0.903 292 W CA 0.704 58.249 57.345 0.332 0.000 1.253 292 W CB -0.362 29.245 29.460 0.245 0.000 1.016 292 W HN 0.699 nan 8.180 nan 0.000 0.537 293 G N 1.663 110.409 108.800 -0.091 0.000 3.126 293 G HA2 0.002 3.963 3.960 0.001 0.000 0.224 293 G HA3 0.002 3.963 3.960 0.001 0.000 0.224 293 G C 1.478 176.600 174.900 0.371 0.000 1.142 293 G CA 0.861 45.972 45.100 0.019 0.000 0.759 293 G HN 0.147 nan 8.290 nan 0.000 0.550 294 S N 1.500 117.353 115.700 0.255 0.000 2.372 294 S HA -0.147 4.324 4.470 0.001 0.000 0.227 294 S C 2.585 177.158 174.600 -0.046 0.000 1.044 294 S CA 1.771 59.880 58.200 -0.151 0.000 1.050 294 S CB -0.612 62.414 63.200 -0.289 0.000 0.901 294 S HN 0.539 nan 8.310 nan 0.000 0.447 295 A N 0.541 123.414 122.820 0.088 0.000 1.930 295 A HA 0.068 4.389 4.320 0.001 0.000 0.217 295 A C 2.013 179.574 177.584 -0.038 0.000 1.175 295 A CA 1.342 53.382 52.037 0.005 0.000 0.627 295 A CB -1.150 17.848 19.000 -0.003 0.000 0.815 295 A HN 0.674 nan 8.150 nan 0.000 0.443 296 Y N 0.064 120.339 120.300 -0.042 0.000 2.165 296 Y HA -0.219 4.332 4.550 0.001 0.000 0.286 296 Y C 2.616 178.387 175.900 -0.216 0.000 1.155 296 Y CA 1.563 59.566 58.100 -0.161 0.000 1.164 296 Y CB -0.139 38.133 38.460 -0.314 0.000 0.978 296 Y HN 0.159 nan 8.280 nan 0.000 0.513 297 R N -0.558 119.949 120.500 0.012 0.000 2.148 297 R HA -0.080 4.260 4.340 0.001 0.000 0.223 297 R C 2.444 178.734 176.300 -0.017 0.000 1.088 297 R CA 1.035 57.115 56.100 -0.033 0.000 0.985 297 R CB -1.242 29.037 30.300 -0.035 0.000 0.880 297 R HN 0.261 nan 8.270 nan 0.000 0.451 298 S N 0.935 116.615 115.700 -0.034 0.000 2.371 298 S HA 0.013 4.483 4.470 0.001 0.000 0.224 298 S C 1.909 176.492 174.600 -0.028 0.000 1.029 298 S CA 0.405 58.589 58.200 -0.027 0.000 0.978 298 S CB -0.119 63.057 63.200 -0.041 0.000 0.833 298 S HN 0.298 nan 8.310 nan 0.000 0.466 299 L N 1.184 122.376 121.223 -0.051 0.000 2.043 299 L HA -0.229 4.111 4.340 0.001 0.000 0.212 299 L C 2.638 179.469 176.870 -0.064 0.000 1.075 299 L CA 1.913 56.720 54.840 -0.054 0.000 0.752 299 L CB -0.494 41.518 42.059 -0.078 0.000 0.891 299 L HN 0.501 nan 8.230 nan 0.000 0.432 300 Q N -1.399 118.312 119.800 -0.148 0.000 2.124 300 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 300 Q C 1.998 177.882 176.000 -0.193 0.000 0.977 300 Q CA 2.011 57.591 55.803 -0.371 0.000 0.850 300 Q CB -0.222 28.060 28.738 -0.761 0.000 0.901 300 Q HN 0.489 nan 8.270 nan 0.000 0.429 301 T N 1.223 115.830 114.554 0.088 0.000 2.746 301 T HA -0.094 4.256 4.350 0.001 0.000 0.267 301 T C 1.833 176.680 174.700 0.244 0.000 1.039 301 T CA 0.898 63.170 62.100 0.287 0.000 1.142 301 T CB -0.128 68.845 68.868 0.176 0.000 0.866 301 T HN 0.203 nan 8.240 nan 0.000 0.444 302 I N 0.369 121.032 120.570 0.155 0.000 2.252 302 I HA -0.173 3.998 4.170 0.001 0.000 0.245 302 I C 2.611 178.974 176.117 0.410 0.000 1.102 302 I CA 0.754 62.185 61.300 0.218 0.000 1.385 302 I CB -0.344 37.737 38.000 0.135 0.000 1.064 302 I HN 0.329 nan 8.210 nan 0.000 0.414 303 C N 0.100 119.558 119.300 0.262 0.000 2.425 303 C HA -0.152 4.309 4.460 0.001 0.000 0.277 303 C C 3.362 178.550 174.990 0.329 0.000 1.280 303 C CA 1.527 60.702 59.018 0.262 0.000 1.744 303 C CB -0.936 26.850 27.740 0.076 0.000 1.989 303 C HN 0.633 nan 8.230 nan 0.000 0.491 304 S N -0.976 114.919 115.700 0.325 0.000 2.419 304 S HA -0.239 4.232 4.470 0.001 0.000 0.233 304 S C 1.643 176.534 174.600 0.485 0.000 1.016 304 S CA 1.448 59.900 58.200 0.419 0.000 0.974 304 S CB -0.576 62.924 63.200 0.499 0.000 0.786 304 S HN 0.794 nan 8.310 nan 0.000 0.492 305 W N 0.788 122.247 121.300 0.265 0.000 2.408 305 W HA 0.084 4.744 4.660 0.001 0.000 0.311 305 W C 1.536 178.153 176.519 0.164 0.000 1.190 305 W CA 1.104 58.551 57.345 0.171 0.000 1.321 305 W CB -0.452 29.005 29.460 -0.005 0.000 1.143 305 W HN 0.293 nan 8.180 nan 0.000 0.501 306 F N 1.199 121.522 119.950 0.622 0.000 2.333 306 F HA -0.131 4.397 4.527 0.001 0.000 0.300 306 F C 2.670 178.617 175.800 0.245 0.000 1.083 306 F CA 2.085 60.389 58.000 0.506 0.000 1.395 306 F CB -0.615 38.639 39.000 0.424 0.000 1.056 306 F HN -0.003 nan 8.300 nan 0.000 0.529 307 R N -0.768 119.930 120.500 0.331 0.000 2.090 307 R HA -0.063 4.278 4.340 0.001 0.000 0.219 307 R C 1.804 178.115 176.300 0.018 0.000 1.100 307 R CA 1.197 57.394 56.100 0.161 0.000 0.991 307 R CB -1.114 29.265 30.300 0.131 0.000 0.893 307 R HN 0.233 nan 8.270 nan 0.000 0.443 308 H N 0.791 119.841 119.070 -0.033 0.000 2.541 308 H HA -0.027 4.530 4.556 0.001 0.000 0.289 308 H C 0.797 175.966 175.328 -0.264 0.000 1.054 308 H CA 1.292 57.254 56.048 -0.144 0.000 1.250 308 H CB 0.487 30.135 29.762 -0.190 0.000 1.369 308 H HN 0.462 nan 8.280 nan 0.000 0.578 309 Q N -1.297 118.360 119.800 -0.238 0.000 2.164 309 Q HA 0.176 4.517 4.340 0.001 0.000 0.226 309 Q C 0.938 176.682 176.000 -0.427 0.000 0.813 309 Q CA 0.458 56.012 55.803 -0.415 0.000 0.978 309 Q CB 1.438 29.741 28.738 -0.725 0.000 1.149 309 Q HN 0.457 nan 8.270 nan 0.000 0.489 310 G N 1.376 110.038 108.800 -0.231 0.000 2.248 310 G HA2 -0.287 3.673 3.960 0.001 0.000 0.252 310 G HA3 -0.287 3.673 3.960 0.001 0.000 0.252 310 G C -0.013 174.737 174.900 -0.250 0.000 1.085 310 G CA 0.119 45.102 45.100 -0.195 0.000 0.845 310 G HN 0.312 nan 8.290 nan 0.000 0.494 311 Y N -0.516 119.843 120.300 0.098 0.000 2.507 311 Y HA 0.485 5.035 4.550 0.001 0.000 0.263 311 Y C 1.704 177.690 175.900 0.143 0.000 1.093 311 Y CA 0.965 59.171 58.100 0.178 0.000 1.285 311 Y CB 1.168 39.868 38.460 0.399 0.000 1.115 311 Y HN 0.347 nan 8.280 nan 0.000 0.533 312 T N -1.401 113.303 114.554 0.249 0.000 2.802 312 T HA 0.270 4.620 4.350 0.001 0.000 0.311 312 T C -0.059 174.706 174.700 0.109 0.000 1.405 312 T CA -0.464 61.731 62.100 0.159 0.000 1.016 312 T CB 1.513 70.471 68.868 0.149 0.000 1.352 312 T HN 0.110 nan 8.240 nan 0.000 0.498 313 E N 0.154 120.403 120.200 0.081 0.000 2.514 313 E HA 0.197 4.548 4.350 0.001 0.000 0.215 313 E C 0.342 176.977 176.600 0.059 0.000 0.946 313 E CA -0.414 56.024 56.400 0.063 0.000 1.038 313 E CB 0.644 30.377 29.700 0.055 0.000 1.069 313 E HN 0.248 nan 8.360 nan 0.000 0.503 314 R N 2.272 122.808 120.500 0.059 0.000 2.598 314 R HA -0.075 4.265 4.340 0.001 0.000 0.266 314 R C -0.218 176.117 176.300 0.059 0.000 0.977 314 R CA 0.386 56.517 56.100 0.052 0.000 1.097 314 R CB 0.265 30.593 30.300 0.045 0.000 0.911 314 R HN -0.004 nan 8.270 nan 0.000 0.419 315 S N 3.941 119.673 115.700 0.053 0.000 2.610 315 S HA 0.352 4.823 4.470 0.001 0.000 0.273 315 S C 0.404 175.037 174.600 0.054 0.000 1.274 315 S CA -1.043 57.193 58.200 0.061 0.000 1.023 315 S CB 0.859 64.095 63.200 0.060 0.000 0.962 315 S HN 0.431 nan 8.310 nan 0.000 0.523 316 I N 2.920 123.527 120.570 0.062 0.000 2.742 316 I HA 0.089 4.260 4.170 0.001 0.000 0.287 316 I C -1.927 174.184 176.117 -0.008 0.000 1.186 316 I CA -1.206 60.098 61.300 0.008 0.000 1.417 316 I CB -0.853 37.139 38.000 -0.015 0.000 1.377 316 I HN 0.466 nan 8.210 nan 0.000 0.556 317 P HA 0.159 nan 4.420 nan 0.000 0.272 317 P C -0.270 177.022 177.300 -0.013 0.000 1.240 317 P CA -0.228 62.869 63.100 -0.005 0.000 0.791 317 P CB 0.524 32.220 31.700 -0.006 0.000 0.978 318 T N -3.381 111.192 114.554 0.032 0.000 2.918 318 T HA 0.314 4.664 4.350 0.001 0.000 0.286 318 T C 0.940 175.694 174.700 0.090 0.000 1.026 318 T CA -0.335 61.806 62.100 0.068 0.000 1.031 318 T CB 0.454 69.385 68.868 0.104 0.000 1.046 318 T HN 0.290 nan 8.240 nan 0.000 0.479 319 H N 0.595 119.690 119.070 0.041 0.000 2.297 319 H HA -0.169 4.388 4.556 0.001 0.000 0.289 319 H C 2.466 177.847 175.328 0.089 0.000 1.105 319 H CA 2.687 58.751 56.048 0.027 0.000 1.219 319 H CB -0.088 29.593 29.762 -0.134 0.000 1.351 319 H HN 0.617 nan 8.280 nan 0.000 0.481 320 R N 0.681 121.292 120.500 0.185 0.000 2.073 320 R HA -0.146 4.195 4.340 0.001 0.000 0.234 320 R C 2.073 178.436 176.300 0.104 0.000 1.134 320 R CA 1.826 57.990 56.100 0.107 0.000 0.952 320 R CB 0.012 30.353 30.300 0.068 0.000 0.850 320 R HN 0.495 nan 8.270 nan 0.000 0.433 321 E N 0.035 120.294 120.200 0.098 0.000 2.110 321 E HA -0.186 4.164 4.350 0.001 0.000 0.193 321 E C 2.014 178.674 176.600 0.099 0.000 0.988 321 E CA 1.344 57.793 56.400 0.082 0.000 0.804 321 E CB -0.085 29.652 29.700 0.062 0.000 0.745 321 E HN 0.395 nan 8.360 nan 0.000 0.458 322 I N 1.164 121.813 120.570 0.132 0.000 2.127 322 I HA -0.349 3.821 4.170 0.001 0.000 0.241 322 I C 2.534 178.783 176.117 0.220 0.000 1.075 322 I CA 1.451 62.849 61.300 0.162 0.000 1.334 322 I CB -0.292 37.852 38.000 0.241 0.000 1.040 322 I HN 0.093 nan 8.210 nan 0.000 0.405 323 Q N 0.038 120.009 119.800 0.284 0.000 2.030 323 Q HA -0.324 4.017 4.340 0.001 0.000 0.204 323 Q C 2.248 178.394 176.000 0.242 0.000 0.986 323 Q CA 2.125 58.111 55.803 0.305 0.000 0.843 323 Q CB -0.239 28.529 28.738 0.051 0.000 0.904 323 Q HN 0.378 nan 8.270 nan 0.000 0.420 324 Q N 0.369 120.256 119.800 0.145 0.000 2.096 324 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 324 Q C 1.877 177.937 176.000 0.099 0.000 0.982 324 Q CA 1.767 57.636 55.803 0.109 0.000 0.850 324 Q CB -0.429 28.352 28.738 0.072 0.000 0.901 324 Q HN 0.389 nan 8.270 nan 0.000 0.422 325 A N 0.170 123.045 122.820 0.092 0.000 1.892 325 A HA -0.206 4.114 4.320 0.001 0.000 0.218 325 A C 1.893 179.511 177.584 0.057 0.000 1.188 325 A CA 1.645 53.718 52.037 0.061 0.000 0.631 325 A CB -0.879 18.149 19.000 0.046 0.000 0.822 325 A HN 0.440 nan 8.150 nan 0.000 0.447 326 L N -0.361 120.915 121.223 0.087 0.000 1.943 326 L HA -0.161 4.179 4.340 0.001 0.000 0.215 326 L C 2.704 179.598 176.870 0.041 0.000 1.074 326 L CA 1.888 56.758 54.840 0.051 0.000 0.759 326 L CB -1.362 40.740 42.059 0.072 0.000 0.888 326 L HN 0.237 nan 8.230 nan 0.000 0.433 327 V N 0.410 120.386 119.914 0.103 0.000 2.236 327 V HA -0.421 3.699 4.120 0.001 0.000 0.255 327 V C 2.294 178.412 176.094 0.039 0.000 1.068 327 V CA 2.232 64.580 62.300 0.080 0.000 1.044 327 V CB -0.858 31.035 31.823 0.116 0.000 0.653 327 V HN 0.456 nan 8.190 nan 0.000 0.448 328 D N 0.323 120.748 120.400 0.042 0.000 2.158 328 D HA -0.157 4.484 4.640 0.001 0.000 0.197 328 D C 1.991 178.297 176.300 0.011 0.000 0.995 328 D CA 1.704 55.719 54.000 0.025 0.000 0.846 328 D CB -0.422 40.394 40.800 0.026 0.000 0.941 328 D HN 0.550 nan 8.370 nan 0.000 0.456 329 A N -0.243 122.580 122.820 0.005 0.000 2.239 329 A HA 0.335 4.655 4.320 0.001 0.000 0.209 329 A C 1.788 179.362 177.584 -0.016 0.000 1.171 329 A CA 1.143 53.175 52.037 -0.008 0.000 0.768 329 A CB -0.459 18.532 19.000 -0.016 0.000 0.790 329 A HN 0.285 nan 8.150 nan 0.000 0.478 330 G N -0.750 108.041 108.800 -0.015 0.000 2.147 330 G HA2 -0.294 3.667 3.960 0.001 0.000 0.244 330 G HA3 -0.294 3.667 3.960 0.001 0.000 0.244 330 G C 0.571 175.448 174.900 -0.039 0.000 1.005 330 G CA 0.742 45.829 45.100 -0.021 0.000 0.713 330 G HN 0.586 nan 8.290 nan 0.000 0.515 331 D N -0.871 119.496 120.400 -0.055 0.000 2.566 331 D HA 0.063 4.704 4.640 0.001 0.000 0.253 331 D C 1.147 177.364 176.300 -0.137 0.000 0.992 331 D CA 0.490 54.436 54.000 -0.091 0.000 0.940 331 D CB 0.249 40.988 40.800 -0.102 0.000 1.095 331 D HN 0.283 nan 8.370 nan 0.000 0.480 332 K N 1.248 121.553 120.400 -0.157 0.000 2.240 332 K HA 0.392 4.713 4.320 0.001 0.000 0.237 332 K C -1.982 174.566 176.600 -0.086 0.000 1.027 332 K CA -1.394 54.756 56.287 -0.227 0.000 0.937 332 K CB 0.777 33.026 32.500 -0.418 0.000 1.171 332 K HN 0.176 nan 8.250 nan 0.000 0.479 333 P HA 0.148 nan 4.420 nan 0.000 0.277 333 P C 0.148 177.489 177.300 0.069 0.000 1.271 333 P CA -0.169 62.938 63.100 0.012 0.000 0.795 333 P CB 0.533 32.245 31.700 0.021 0.000 1.101 334 A N 1.127 123.981 122.820 0.056 0.000 1.837 334 A HA -0.179 4.141 4.320 0.001 0.000 0.216 334 A C 1.964 179.603 177.584 0.091 0.000 1.210 334 A CA 3.131 55.207 52.037 0.064 0.000 0.632 334 A CB -2.357 16.664 19.000 0.036 0.000 0.843 334 A HN 0.706 nan 8.150 nan 0.000 0.448 335 T N -3.013 111.581 114.554 0.066 0.000 3.219 335 T HA -0.085 4.266 4.350 0.001 0.000 0.264 335 T C 1.223 175.960 174.700 0.062 0.000 1.178 335 T CA 1.167 63.292 62.100 0.043 0.000 1.057 335 T CB -0.645 68.234 68.868 0.018 0.000 0.919 335 T HN 0.369 nan 8.240 nan 0.000 0.545 336 F N 1.989 121.927 119.950 -0.019 0.000 2.161 336 F HA 0.113 4.641 4.527 0.001 0.000 0.300 336 F C 1.183 176.984 175.800 0.001 0.000 1.089 336 F CA 0.026 58.015 58.000 -0.018 0.000 1.282 336 F CB -0.674 38.318 39.000 -0.015 0.000 1.010 336 F HN 0.125 nan 8.300 nan 0.000 0.485 337 V N 1.315 121.185 119.914 -0.074 0.000 3.061 337 V HA 0.225 4.345 4.120 0.001 0.000 0.306 337 V C 1.396 177.383 176.094 -0.179 0.000 1.118 337 V CA 0.976 63.197 62.300 -0.133 0.000 1.231 337 V CB 0.368 32.189 31.823 -0.002 0.000 0.956 337 V HN 0.855 nan 8.190 nan 0.000 0.499 338 G N 3.761 112.460 108.800 -0.168 0.000 2.205 338 G HA2 -0.315 3.646 3.960 0.001 0.000 0.269 338 G HA3 -0.315 3.646 3.960 0.001 0.000 0.269 338 G C 0.661 175.412 174.900 -0.248 0.000 0.977 338 G CA 0.894 45.898 45.100 -0.160 0.000 0.652 338 G HN 1.360 nan 8.290 nan 0.000 0.539 339 S N -0.973 114.513 115.700 -0.357 0.000 2.633 339 S HA 0.581 5.052 4.470 0.001 0.000 0.257 339 S C 1.269 175.512 174.600 -0.596 0.000 1.265 339 S CA 0.099 58.047 58.200 -0.420 0.000 0.980 339 S CB 0.521 63.440 63.200 -0.469 0.000 1.017 339 S HN 0.374 nan 8.310 nan 0.000 0.577 340 R N 0.574 120.687 120.500 -0.645 0.000 2.662 340 R HA 0.208 4.548 4.340 0.001 0.000 0.396 340 R C -0.385 175.627 176.300 -0.480 0.000 1.096 340 R CA -0.255 55.143 56.100 -1.171 0.000 1.081 340 R CB 0.497 30.057 30.300 -1.233 0.000 1.382 340 R HN 0.623 nan 8.270 nan 0.000 0.580 341 Q N 1.193 120.941 119.800 -0.087 0.000 2.373 341 Q HA 0.026 4.366 4.340 0.001 0.000 0.255 341 Q C 0.310 176.664 176.000 0.589 0.000 0.980 341 Q CA 0.112 56.043 55.803 0.212 0.000 0.882 341 Q CB 0.982 29.901 28.738 0.302 0.000 1.249 341 Q HN 0.249 nan 8.270 nan 0.000 0.438 342 W N 3.418 125.042 121.300 0.540 0.000 1.992 342 W HA 0.516 5.177 4.660 0.001 0.000 0.360 342 W C -0.156 176.587 176.519 0.373 0.000 1.369 342 W CA -0.525 57.136 57.345 0.526 0.000 1.403 342 W CB -0.091 29.587 29.460 0.364 0.000 1.215 342 W HN 0.615 nan 8.180 nan 0.000 0.643 343 I N -1.807 119.050 120.570 0.479 0.000 3.195 343 I HA 0.958 5.128 4.170 0.001 0.000 0.313 343 I C -0.289 176.050 176.117 0.369 0.000 1.237 343 I CA -1.144 60.242 61.300 0.144 0.000 0.963 343 I CB 1.695 39.612 38.000 -0.139 0.000 1.278 343 I HN 0.604 nan 8.210 nan 0.000 0.460 344 G N 0.608 109.531 108.800 0.204 0.000 3.176 344 G HA2 0.458 4.419 3.960 0.001 0.000 0.272 344 G HA3 0.458 4.419 3.960 0.001 0.000 0.272 344 G C 0.020 174.936 174.900 0.027 0.000 1.349 344 G CA -0.068 45.142 45.100 0.184 0.000 0.953 344 G HN 0.630 nan 8.290 nan 0.000 0.559 345 S N -0.218 115.471 115.700 -0.019 0.000 2.368 345 S HA -0.097 4.374 4.470 0.001 0.000 0.225 345 S C 2.458 177.011 174.600 -0.079 0.000 1.030 345 S CA 0.909 59.054 58.200 -0.091 0.000 0.999 345 S CB -0.242 62.847 63.200 -0.185 0.000 0.844 345 S HN 0.417 nan 8.310 nan 0.000 0.459 346 I N 2.001 122.547 120.570 -0.040 0.000 2.163 346 I HA -0.164 4.006 4.170 0.001 0.000 0.243 346 I C 2.375 178.464 176.117 -0.048 0.000 1.085 346 I CA 1.444 62.730 61.300 -0.023 0.000 1.347 346 I CB -1.683 36.333 38.000 0.028 0.000 1.044 346 I HN 0.242 nan 8.210 nan 0.000 0.408 347 E N 0.827 120.990 120.200 -0.061 0.000 2.049 347 E HA -0.171 4.179 4.350 0.001 0.000 0.198 347 E C 2.405 178.955 176.600 -0.084 0.000 1.007 347 E CA 1.382 57.730 56.400 -0.086 0.000 0.809 347 E CB -0.471 29.162 29.700 -0.112 0.000 0.749 347 E HN 0.241 nan 8.360 nan 0.000 0.450 348 V N 1.243 121.103 119.914 -0.089 0.000 2.295 348 V HA -0.326 3.795 4.120 0.001 0.000 0.246 348 V C 2.440 178.484 176.094 -0.084 0.000 1.049 348 V CA 2.174 64.418 62.300 -0.094 0.000 1.024 348 V CB -0.833 30.933 31.823 -0.095 0.000 0.648 348 V HN 0.395 nan 8.190 nan 0.000 0.447 349 Q N 0.258 120.007 119.800 -0.084 0.000 2.135 349 Q HA -0.252 4.089 4.340 0.001 0.000 0.204 349 Q C 2.034 177.991 176.000 -0.071 0.000 0.981 349 Q CA 2.410 58.164 55.803 -0.081 0.000 0.856 349 Q CB -0.808 27.881 28.738 -0.082 0.000 0.902 349 Q HN 0.586 nan 8.270 nan 0.000 0.425 350 M N -0.083 119.480 119.600 -0.062 0.000 2.080 350 M HA -0.164 4.317 4.480 0.001 0.000 0.260 350 M C 1.753 178.023 176.300 -0.050 0.000 1.068 350 M CA 1.737 57.006 55.300 -0.052 0.000 1.109 350 M CB -0.002 32.569 32.600 -0.048 0.000 1.342 350 M HN 0.237 nan 8.290 nan 0.000 0.405 351 V N 0.451 120.335 119.914 -0.050 0.000 2.261 351 V HA -0.284 3.837 4.120 0.001 0.000 0.246 351 V C 2.252 178.312 176.094 -0.058 0.000 1.047 351 V CA 1.469 63.745 62.300 -0.040 0.000 1.015 351 V CB -0.796 31.007 31.823 -0.034 0.000 0.642 351 V HN 0.425 nan 8.190 nan 0.000 0.446 352 L N 0.927 122.103 121.223 -0.079 0.000 2.137 352 L HA -0.228 4.113 4.340 0.001 0.000 0.213 352 L C 2.193 178.979 176.870 -0.141 0.000 1.085 352 L CA 2.450 57.218 54.840 -0.120 0.000 0.760 352 L CB -1.169 40.809 42.059 -0.135 0.000 0.893 352 L HN 0.600 nan 8.230 nan 0.000 0.434 353 N N -1.731 116.906 118.700 -0.104 0.000 2.251 353 N HA -0.129 4.611 4.740 0.001 0.000 0.181 353 N C 1.811 177.282 175.510 -0.065 0.000 1.019 353 N CA 0.852 53.847 53.050 -0.092 0.000 0.862 353 N CB 0.031 38.475 38.487 -0.072 0.000 0.992 353 N HN 0.330 nan 8.380 nan 0.000 0.429 354 Q N -0.027 119.744 119.800 -0.049 0.000 1.990 354 Q HA -0.033 4.308 4.340 0.001 0.000 0.200 354 Q C 2.030 178.014 176.000 -0.027 0.000 0.980 354 Q CA 1.206 56.991 55.803 -0.030 0.000 0.832 354 Q CB -0.083 28.644 28.738 -0.018 0.000 0.897 354 Q HN 0.451 nan 8.270 nan 0.000 0.427 355 L N 0.286 121.491 121.223 -0.030 0.000 2.093 355 L HA -0.090 4.251 4.340 0.001 0.000 0.208 355 L C 2.193 179.047 176.870 -0.027 0.000 1.085 355 L CA 1.140 55.968 54.840 -0.020 0.000 0.755 355 L CB -0.206 41.844 42.059 -0.014 0.000 0.904 355 L HN 0.356 nan 8.230 nan 0.000 0.435 356 I N -5.037 115.496 120.570 -0.062 0.000 4.442 356 I HA 0.413 4.583 4.170 0.001 0.000 0.331 356 I C 1.001 177.050 176.117 -0.113 0.000 1.364 356 I CA 0.185 61.440 61.300 -0.076 0.000 1.207 356 I CB 0.606 38.551 38.000 -0.092 0.000 1.298 356 I HN 0.130 nan 8.210 nan 0.000 0.463 357 G N 2.491 111.227 108.800 -0.106 0.000 2.305 357 G HA2 -0.208 3.752 3.960 0.001 0.000 0.287 357 G HA3 -0.208 3.752 3.960 0.001 0.000 0.287 357 G C 0.022 174.822 174.900 -0.167 0.000 1.036 357 G CA 0.388 45.427 45.100 -0.101 0.000 0.887 357 G HN 0.346 nan 8.290 nan 0.000 0.505 358 V N 1.109 120.858 119.914 -0.275 0.000 2.385 358 V HA 0.359 4.479 4.120 0.001 0.000 0.269 358 V C 1.096 177.069 176.094 -0.203 0.000 1.043 358 V CA 0.006 62.088 62.300 -0.364 0.000 0.906 358 V CB 1.266 32.649 31.823 -0.732 0.000 0.995 358 V HN 0.359 nan 8.190 nan 0.000 0.467 359 T N 4.877 119.351 114.554 -0.133 0.000 2.799 359 T HA 0.210 4.561 4.350 0.001 0.000 0.296 359 T C 0.525 175.181 174.700 -0.074 0.000 0.947 359 T CA 0.356 62.405 62.100 -0.085 0.000 1.141 359 T CB 0.655 69.489 68.868 -0.056 0.000 0.891 359 T HN 0.732 nan 8.240 nan 0.000 0.533 360 S N 2.313 117.969 115.700 -0.073 0.000 2.713 360 S HA 0.748 5.218 4.470 0.001 0.000 0.296 360 S C -0.273 174.285 174.600 -0.069 0.000 1.114 360 S CA -0.890 57.267 58.200 -0.072 0.000 0.997 360 S CB 1.169 64.316 63.200 -0.088 0.000 1.249 360 S HN 0.711 nan 8.310 nan 0.000 0.534 361 K N 1.179 121.523 120.400 -0.093 0.000 2.570 361 K HA 0.409 4.730 4.320 0.001 0.000 0.256 361 K C -1.963 174.547 176.600 -0.150 0.000 0.939 361 K CA -0.490 55.742 56.287 -0.092 0.000 0.833 361 K CB 1.121 33.574 32.500 -0.078 0.000 1.318 361 K HN 0.563 nan 8.250 nan 0.000 0.433 362 I N 5.361 125.836 120.570 -0.158 0.000 2.498 362 I HA 0.413 4.584 4.170 0.001 0.000 0.290 362 I C -1.687 174.244 176.117 -0.311 0.000 1.032 362 I CA -0.957 60.168 61.300 -0.292 0.000 1.073 362 I CB 1.481 39.243 38.000 -0.397 0.000 1.251 362 I HN 0.679 nan 8.210 nan 0.000 0.426 363 L N 7.103 128.124 121.223 -0.338 0.000 2.275 363 L HA 0.456 4.796 4.340 0.001 0.000 0.288 363 L C -0.714 175.944 176.870 -0.354 0.000 1.046 363 L CA -0.517 54.190 54.840 -0.222 0.000 0.805 363 L CB 1.011 42.956 42.059 -0.191 0.000 1.193 363 L HN 0.426 nan 8.230 nan 0.000 0.426 364 F N 2.785 122.665 119.950 -0.115 0.000 2.379 364 F HA 0.589 5.116 4.527 0.001 0.000 0.332 364 F C 0.312 176.049 175.800 -0.105 0.000 1.096 364 F CA -0.643 57.271 58.000 -0.143 0.000 1.105 364 F CB 1.766 40.743 39.000 -0.038 0.000 1.189 364 F HN 0.176 nan 8.300 nan 0.000 0.515 365 V N 2.978 122.905 119.914 0.022 0.000 2.733 365 V HA 0.426 4.546 4.120 0.001 0.000 0.306 365 V C -0.499 175.659 176.094 0.107 0.000 1.084 365 V CA -0.681 61.641 62.300 0.037 0.000 0.905 365 V CB 1.962 33.747 31.823 -0.062 0.000 1.010 365 V HN 0.770 nan 8.190 nan 0.000 0.424 366 N N 3.368 122.157 118.700 0.150 0.000 2.424 366 N HA 0.166 4.906 4.740 0.001 0.000 0.178 366 N C -0.108 175.505 175.510 0.171 0.000 1.060 366 N CA 0.452 53.635 53.050 0.223 0.000 0.901 366 N CB 0.348 38.937 38.487 0.170 0.000 0.979 366 N HN 0.808 nan 8.380 nan 0.000 0.451 367 Q N -1.927 117.949 119.800 0.127 0.000 2.379 367 Q HA 0.532 4.872 4.340 0.001 0.000 0.278 367 Q C 0.883 176.976 176.000 0.155 0.000 1.068 367 Q CA -0.542 55.333 55.803 0.119 0.000 0.816 367 Q CB 1.683 30.475 28.738 0.089 0.000 1.387 367 Q HN 0.030 nan 8.270 nan 0.000 0.413 368 G N 0.167 109.113 108.800 0.243 0.000 2.479 368 G HA2 -0.243 3.717 3.960 0.001 0.000 0.220 368 G HA3 -0.243 3.717 3.960 0.001 0.000 0.220 368 G C 0.921 175.917 174.900 0.161 0.000 1.115 368 G CA 1.144 46.425 45.100 0.302 0.000 0.757 368 G HN 0.574 nan 8.290 nan 0.000 0.560 369 S N 0.726 116.509 115.700 0.138 0.000 2.420 369 S HA -0.115 4.356 4.470 0.001 0.000 0.237 369 S C 1.762 176.425 174.600 0.105 0.000 1.023 369 S CA 1.489 59.758 58.200 0.114 0.000 0.991 369 S CB -0.119 63.135 63.200 0.089 0.000 0.792 369 S HN 0.878 nan 8.310 nan 0.000 0.488 370 E N -0.458 119.788 120.200 0.077 0.000 2.789 370 E HA 0.225 4.576 4.350 0.001 0.000 0.208 370 E C 0.766 177.378 176.600 0.021 0.000 0.988 370 E CA -0.229 56.209 56.400 0.063 0.000 1.092 370 E CB -0.048 29.687 29.700 0.057 0.000 1.066 370 E HN 0.273 nan 8.360 nan 0.000 0.465 371 M N 0.743 120.320 119.600 -0.039 0.000 2.374 371 M HA 0.005 4.485 4.480 0.001 0.000 0.264 371 M C 2.031 178.430 176.300 0.166 0.000 1.067 371 M CA 1.147 56.344 55.300 -0.172 0.000 1.103 371 M CB -0.536 31.626 32.600 -0.730 0.000 1.402 371 M HN 0.382 nan 8.290 nan 0.000 0.444 372 A N -1.033 121.945 122.820 0.264 0.000 2.066 372 A HA -0.058 4.263 4.320 0.001 0.000 0.218 372 A C 2.307 179.986 177.584 0.157 0.000 1.157 372 A CA 1.331 53.549 52.037 0.302 0.000 0.670 372 A CB -0.603 18.570 19.000 0.289 0.000 0.804 372 A HN 0.419 nan 8.150 nan 0.000 0.453 373 S N -0.209 115.552 115.700 0.101 0.000 2.441 373 S HA -0.174 4.296 4.470 0.001 0.000 0.242 373 S C 1.772 176.363 174.600 -0.015 0.000 1.018 373 S CA 1.476 59.707 58.200 0.052 0.000 0.988 373 S CB -0.204 63.014 63.200 0.031 0.000 0.778 373 S HN 0.598 nan 8.310 nan 0.000 0.498 374 Q N -0.467 119.311 119.800 -0.037 0.000 2.319 374 Q HA 0.234 4.575 4.340 0.001 0.000 0.202 374 Q C 2.081 177.917 176.000 -0.274 0.000 0.896 374 Q CA 0.374 56.106 55.803 -0.118 0.000 0.942 374 Q CB -0.482 28.213 28.738 -0.073 0.000 1.083 374 Q HN 0.548 nan 8.270 nan 0.000 0.510 375 G N 0.939 109.467 108.800 -0.453 0.000 2.448 375 G HA2 -0.286 3.675 3.960 0.001 0.000 0.219 375 G HA3 -0.286 3.675 3.960 0.001 0.000 0.219 375 G C 1.595 175.670 174.900 -1.375 0.000 1.127 375 G CA 0.681 45.220 45.100 -0.934 0.000 0.766 375 G HN 0.287 nan 8.290 nan 0.000 0.552 376 R N -0.057 119.639 120.500 -1.341 0.000 2.057 376 R HA -0.014 4.327 4.340 0.001 0.000 0.229 376 R C 2.438 178.458 176.300 -0.468 0.000 1.136 376 R CA 1.143 56.597 56.100 -1.076 0.000 0.952 376 R CB -0.220 29.774 30.300 -0.511 0.000 0.848 376 R HN 0.143 nan 8.270 nan 0.000 0.430 377 E N 0.902 120.900 120.200 -0.337 0.000 2.048 377 E HA -0.241 4.109 4.350 0.001 0.000 0.202 377 E C 2.042 178.524 176.600 -0.197 0.000 1.021 377 E CA 1.669 57.942 56.400 -0.211 0.000 0.825 377 E CB -0.353 29.237 29.700 -0.184 0.000 0.756 377 E HN 0.380 nan 8.360 nan 0.000 0.454 378 L N 0.078 121.174 121.223 -0.212 0.000 1.994 378 L HA -0.175 4.165 4.340 0.001 0.000 0.208 378 L C 2.637 179.510 176.870 0.005 0.000 1.071 378 L CA 1.287 56.054 54.840 -0.122 0.000 0.745 378 L CB -0.662 41.407 42.059 0.018 0.000 0.892 378 L HN 0.078 nan 8.230 nan 0.000 0.431 379 A N 0.156 122.954 122.820 -0.036 0.000 1.917 379 A HA -0.268 4.053 4.320 0.001 0.000 0.219 379 A C 2.059 179.684 177.584 0.068 0.000 1.182 379 A CA 2.283 54.369 52.037 0.081 0.000 0.633 379 A CB -0.730 18.286 19.000 0.027 0.000 0.819 379 A HN 0.435 nan 8.150 nan 0.000 0.448 380 N N -1.045 117.641 118.700 -0.023 0.000 2.069 380 N HA -0.182 4.559 4.740 0.001 0.000 0.191 380 N C 1.612 177.091 175.510 -0.053 0.000 1.031 380 N CA 1.826 54.865 53.050 -0.017 0.000 0.852 380 N CB -0.546 37.916 38.487 -0.040 0.000 1.018 380 N HN 0.791 nan 8.380 nan 0.000 0.423 381 H N -0.758 118.177 119.070 -0.226 0.000 2.290 381 H HA -0.084 4.472 4.556 0.001 0.000 0.298 381 H C 1.587 176.698 175.328 -0.363 0.000 1.087 381 H CA 2.084 57.910 56.048 -0.370 0.000 1.291 381 H CB -0.435 28.971 29.762 -0.593 0.000 1.369 381 H HN 0.161 nan 8.280 nan 0.000 0.492 382 F N 0.432 120.371 119.950 -0.018 0.000 2.216 382 F HA -0.094 4.434 4.527 0.001 0.000 0.300 382 F C 2.748 178.500 175.800 -0.080 0.000 1.085 382 F CA 1.379 59.338 58.000 -0.069 0.000 1.326 382 F CB -0.434 38.565 39.000 -0.001 0.000 1.027 382 F HN 0.335 nan 8.300 nan 0.000 0.497 383 Q N -0.352 119.502 119.800 0.090 0.000 2.451 383 Q HA -0.040 4.300 4.340 0.001 0.000 0.206 383 Q C 0.909 176.909 176.000 0.000 0.000 0.947 383 Q CA 0.653 56.494 55.803 0.062 0.000 0.937 383 Q CB 0.104 28.890 28.738 0.080 0.000 1.025 383 Q HN 0.296 nan 8.270 nan 0.000 0.511 384 N N -1.774 116.876 118.700 -0.083 0.000 2.145 384 N HA 0.086 4.826 4.740 0.001 0.000 0.219 384 N C 0.386 175.803 175.510 -0.155 0.000 1.266 384 N CA 0.358 53.353 53.050 -0.091 0.000 0.902 384 N CB 1.826 40.266 38.487 -0.078 0.000 1.078 384 N HN -0.001 nan 8.380 nan 0.000 0.513 385 V N -1.757 117.979 119.914 -0.295 0.000 3.273 385 V HA 0.280 4.400 4.120 0.001 0.000 0.208 385 V C 1.273 177.134 176.094 -0.388 0.000 1.464 385 V CA 0.516 62.571 62.300 -0.407 0.000 1.270 385 V CB 0.269 31.643 31.823 -0.748 0.000 1.161 385 V HN 0.131 nan 8.190 nan 0.000 0.512 386 G N 2.478 111.015 108.800 -0.438 0.000 2.180 386 G HA2 -0.295 3.665 3.960 0.001 0.000 0.263 386 G HA3 -0.295 3.665 3.960 0.001 0.000 0.263 386 G C 0.457 175.180 174.900 -0.296 0.000 0.989 386 G CA 1.062 46.090 45.100 -0.121 0.000 0.692 386 G HN 0.953 nan 8.290 nan 0.000 0.526 387 T N -0.765 113.377 114.554 -0.687 0.000 2.913 387 T HA 0.584 4.934 4.350 0.001 0.000 0.297 387 T C -2.099 172.303 174.700 -0.495 0.000 1.029 387 T CA -1.412 60.021 62.100 -1.112 0.000 1.104 387 T CB 2.216 70.480 68.868 -1.006 0.000 0.964 387 T HN 0.089 nan 8.240 nan 0.000 0.532 388 P HA 0.391 nan 4.420 nan 0.000 0.274 388 P C -0.925 176.249 177.300 -0.209 0.000 1.231 388 P CA -0.626 62.309 63.100 -0.275 0.000 0.790 388 P CB 0.592 32.082 31.700 -0.350 0.000 0.951 389 V N 3.204 123.040 119.914 -0.131 0.000 2.495 389 V HA 0.433 4.553 4.120 0.001 0.000 0.298 389 V C 0.123 176.135 176.094 -0.136 0.000 1.031 389 V CA -0.633 61.542 62.300 -0.208 0.000 0.871 389 V CB 1.330 32.983 31.823 -0.283 0.000 0.988 389 V HN 0.550 nan 8.190 nan 0.000 0.432 390 M N 7.473 126.986 119.600 -0.144 0.000 2.209 390 M HA 0.729 5.210 4.480 0.001 0.000 0.355 390 M C -0.668 175.566 176.300 -0.111 0.000 1.171 390 M CA -0.186 55.057 55.300 -0.094 0.000 1.069 390 M CB 1.499 34.053 32.600 -0.078 0.000 1.622 390 M HN 0.398 nan 8.290 nan 0.000 0.459 391 V N 2.056 121.939 119.914 -0.051 0.000 2.357 391 V HA 0.965 5.085 4.120 0.001 0.000 0.284 391 V C 0.144 176.258 176.094 0.033 0.000 1.018 391 V CA -0.435 61.817 62.300 -0.079 0.000 0.841 391 V CB 0.465 32.201 31.823 -0.146 0.000 0.991 391 V HN 1.079 nan 8.190 nan 0.000 0.437 392 G N 2.854 111.652 108.800 -0.002 0.000 2.322 392 G HA2 0.558 4.518 3.960 0.001 0.000 0.309 392 G HA3 0.558 4.518 3.960 0.001 0.000 0.309 392 G C 0.365 175.326 174.900 0.102 0.000 1.121 392 G CA -0.236 44.893 45.100 0.048 0.000 0.886 392 G HN 1.423 nan 8.290 nan 0.000 0.447 393 G N 0.533 109.398 108.800 0.109 0.000 4.644 393 G HA2 0.540 4.500 3.960 0.001 0.000 0.307 393 G HA3 0.540 4.500 3.960 0.001 0.000 0.307 393 G C 1.004 175.768 174.900 -0.226 0.000 1.331 393 G CA 0.518 45.551 45.100 -0.111 0.000 1.059 393 G HN 1.608 nan 8.290 nan 0.000 0.590 394 G N 0.154 108.839 108.800 -0.191 0.000 2.677 394 G HA2 -0.393 3.568 3.960 0.001 0.000 0.321 394 G HA3 -0.393 3.568 3.960 0.001 0.000 0.321 394 G C 1.370 175.913 174.900 -0.595 0.000 1.181 394 G CA 0.914 45.806 45.100 -0.347 0.000 0.965 394 G HN 0.750 nan 8.290 nan 0.000 0.548 395 V N 2.055 121.513 119.914 -0.761 0.000 2.407 395 V HA 0.163 4.283 4.120 0.001 0.000 0.245 395 V C 1.499 177.502 176.094 -0.152 0.000 1.041 395 V CA 1.444 63.276 62.300 -0.780 0.000 1.040 395 V CB -0.339 31.061 31.823 -0.705 0.000 0.671 395 V HN 0.452 nan 8.190 nan 0.000 0.455 396 L N 1.397 122.598 121.223 -0.036 0.000 2.283 396 L HA 0.529 4.870 4.340 0.001 0.000 0.287 396 L C 0.191 177.212 176.870 0.252 0.000 1.073 396 L CA 0.471 55.423 54.840 0.186 0.000 0.822 396 L CB -0.075 42.113 42.059 0.214 0.000 1.186 396 L HN 0.223 nan 8.230 nan 0.000 0.436 397 A N 3.920 126.863 122.820 0.204 0.000 2.299 397 A HA 0.809 5.129 4.320 0.001 0.000 0.332 397 A C -0.818 176.830 177.584 0.105 0.000 1.131 397 A CA -0.314 51.833 52.037 0.184 0.000 0.844 397 A CB 1.233 20.285 19.000 0.087 0.000 1.251 397 A HN 0.814 nan 8.150 nan 0.000 0.486 398 H N -1.692 117.478 119.070 0.167 0.000 2.942 398 H HA 0.666 5.223 4.556 0.001 0.000 0.316 398 H C -0.802 174.567 175.328 0.068 0.000 1.323 398 H CA -0.161 55.992 56.048 0.175 0.000 1.144 398 H CB 2.058 32.015 29.762 0.325 0.000 1.866 398 H HN 0.636 nan 8.280 nan 0.000 0.545 399 T N 1.469 116.116 114.554 0.155 0.000 2.887 399 T HA 0.504 4.854 4.350 0.001 0.000 0.288 399 T C -0.719 173.980 174.700 -0.001 0.000 1.021 399 T CA -0.715 61.392 62.100 0.012 0.000 1.000 399 T CB 1.184 70.001 68.868 -0.084 0.000 1.034 399 T HN 0.501 nan 8.240 nan 0.000 0.467 400 I N 3.073 123.630 120.570 -0.023 0.000 2.439 400 I HA 0.393 4.564 4.170 0.001 0.000 0.285 400 I C -0.248 175.807 176.117 -0.103 0.000 1.021 400 I CA -1.120 60.164 61.300 -0.027 0.000 1.091 400 I CB 0.908 38.979 38.000 0.119 0.000 1.242 400 I HN 0.640 nan 8.210 nan 0.000 0.439 401 L N 7.542 128.540 121.223 -0.375 0.000 2.446 401 L HA 0.528 4.868 4.340 0.001 0.000 0.219 401 L C 1.013 177.233 176.870 -1.083 0.000 1.116 401 L CA 0.579 55.076 54.840 -0.571 0.000 0.844 401 L CB -0.286 41.400 42.059 -0.621 0.000 0.970 401 L HN 0.841 nan 8.230 nan 0.000 0.457 402 G N -1.161 106.960 108.800 -1.132 0.000 2.320 402 G HA2 0.390 4.350 3.960 0.001 0.000 0.296 402 G HA3 0.390 4.350 3.960 0.001 0.000 0.296 402 G C -2.213 172.398 174.900 -0.482 0.000 1.306 402 G CA -0.216 44.065 45.100 -1.365 0.000 0.836 402 G HN -0.290 nan 8.290 nan 0.000 0.517 403 V N -0.675 119.174 119.914 -0.107 0.000 2.925 403 V HA 0.861 4.981 4.120 0.001 0.000 0.311 403 V C -0.538 175.679 176.094 0.205 0.000 1.104 403 V CA -0.012 62.368 62.300 0.133 0.000 0.954 403 V CB 1.784 33.606 31.823 -0.000 0.000 1.022 403 V HN 2.197 nan 8.190 nan 0.000 0.427 404 A N 5.630 128.496 122.820 0.076 0.000 2.258 404 A HA 0.777 5.097 4.320 0.001 0.000 0.316 404 A C -1.560 176.043 177.584 0.031 0.000 1.279 404 A CA -0.392 51.562 52.037 -0.139 0.000 0.876 404 A CB 0.570 19.272 19.000 -0.496 0.000 1.170 404 A HN 1.207 nan 8.150 nan 0.000 0.520 405 W N 3.962 125.178 121.300 -0.141 0.000 2.756 405 W HA 0.421 5.082 4.660 0.001 0.000 0.333 405 W C -1.103 175.367 176.519 -0.081 0.000 1.025 405 W CA -0.953 56.328 57.345 -0.107 0.000 1.246 405 W CB 1.475 30.892 29.460 -0.072 0.000 1.358 405 W HN 0.592 nan 8.180 nan 0.000 0.444 406 N N 4.647 123.141 118.700 -0.344 0.000 2.558 406 N HA 0.016 4.756 4.740 0.001 0.000 0.233 406 N C 0.896 175.893 175.510 -0.854 0.000 1.038 406 N CA 0.219 52.978 53.050 -0.485 0.000 0.934 406 N CB 0.869 39.203 38.487 -0.254 0.000 1.175 406 N HN 0.835 nan 8.380 nan 0.000 0.512 407 E N 1.699 121.156 120.200 -1.239 0.000 2.209 407 E HA -0.141 4.209 4.350 0.001 0.000 0.196 407 E C 0.365 176.615 176.600 -0.583 0.000 0.993 407 E CA 1.233 56.796 56.400 -1.395 0.000 0.819 407 E CB 0.391 29.348 29.700 -1.239 0.000 0.745 407 E HN 0.538 nan 8.360 nan 0.000 0.477 408 T N -1.184 113.126 114.554 -0.406 0.000 3.055 408 T HA -0.048 4.303 4.350 0.001 0.000 0.265 408 T C 1.534 176.133 174.700 -0.169 0.000 1.111 408 T CA 1.379 63.344 62.100 -0.225 0.000 1.118 408 T CB 0.153 68.916 68.868 -0.174 0.000 0.909 408 T HN 0.091 nan 8.240 nan 0.000 0.501 409 T N -1.222 113.212 114.554 -0.201 0.000 2.993 409 T HA 0.419 4.770 4.350 0.001 0.000 0.260 409 T C 1.583 176.246 174.700 -0.063 0.000 0.939 409 T CA 1.080 63.112 62.100 -0.113 0.000 0.886 409 T CB -0.114 68.691 68.868 -0.105 0.000 1.209 409 T HN 0.399 nan 8.240 nan 0.000 0.518 410 G N 1.551 110.303 108.800 -0.080 0.000 2.304 410 G HA2 -0.259 3.702 3.960 0.001 0.000 0.252 410 G HA3 -0.259 3.702 3.960 0.001 0.000 0.252 410 G C 0.105 175.078 174.900 0.122 0.000 1.014 410 G CA 0.374 45.528 45.100 0.091 0.000 0.619 410 G HN 0.628 nan 8.290 nan 0.000 0.525 411 Q N 0.466 120.285 119.800 0.032 0.000 2.269 411 Q HA 0.432 4.772 4.340 0.001 0.000 0.300 411 Q C -0.244 175.801 176.000 0.075 0.000 1.070 411 Q CA 0.836 56.664 55.803 0.042 0.000 0.957 411 Q CB 0.403 29.133 28.738 -0.014 0.000 1.131 411 Q HN 0.663 nan 8.270 nan 0.000 0.377 412 I N 2.906 123.531 120.570 0.091 0.000 2.894 412 I HA 0.426 4.596 4.170 0.001 0.000 0.302 412 I C -1.490 174.599 176.117 -0.047 0.000 1.188 412 I CA -0.618 60.705 61.300 0.038 0.000 1.014 412 I CB 1.997 40.016 38.000 0.031 0.000 1.242 412 I HN 0.473 nan 8.210 nan 0.000 0.430 413 K N 4.992 125.298 120.400 -0.157 0.000 2.482 413 K HA 0.610 4.930 4.320 0.001 0.000 0.257 413 K C -1.890 174.680 176.600 -0.050 0.000 0.969 413 K CA -0.557 55.733 56.287 0.005 0.000 0.842 413 K CB 2.392 34.964 32.500 0.121 0.000 1.359 413 K HN 0.343 nan 8.250 nan 0.000 0.441 414 F N 1.663 121.790 119.950 0.296 0.000 2.518 414 F HA 0.336 4.863 4.527 0.001 0.000 0.323 414 F C -0.481 175.135 175.800 -0.306 0.000 1.129 414 F CA -1.061 56.996 58.000 0.095 0.000 0.920 414 F CB 1.283 40.378 39.000 0.157 0.000 1.160 414 F HN 0.149 nan 8.300 nan 0.000 0.440 415 L N 6.769 127.616 121.223 -0.625 0.000 2.282 415 L HA 0.467 4.807 4.340 0.001 0.000 0.287 415 L C -0.308 176.217 176.870 -0.574 0.000 1.075 415 L CA -0.479 53.684 54.840 -1.128 0.000 0.839 415 L CB -0.474 40.562 42.059 -1.704 0.000 1.219 415 L HN 0.413 nan 8.230 nan 0.000 0.434 416 I N 2.416 122.714 120.570 -0.452 0.000 2.525 416 I HA 0.445 4.615 4.170 0.001 0.000 0.301 416 I C -1.083 174.885 176.117 -0.248 0.000 0.992 416 I CA -1.066 60.070 61.300 -0.273 0.000 1.162 416 I CB 1.757 39.630 38.000 -0.212 0.000 1.332 416 I HN 0.553 nan 8.210 nan 0.000 0.458 417 L N 4.650 125.764 121.223 -0.182 0.000 2.298 417 L HA 0.504 4.845 4.340 0.001 0.000 0.284 417 L C -0.661 176.185 176.870 -0.041 0.000 1.013 417 L CA 0.098 54.794 54.840 -0.241 0.000 0.824 417 L CB 0.991 42.804 42.059 -0.410 0.000 1.221 417 L HN 0.583 nan 8.230 nan 0.000 0.418 418 D N 6.930 127.420 120.400 0.150 0.000 2.359 418 D HA 0.334 4.975 4.640 0.001 0.000 0.230 418 D C -2.005 174.505 176.300 0.350 0.000 1.118 418 D CA -1.792 52.446 54.000 0.397 0.000 0.844 418 D CB 2.038 43.258 40.800 0.701 0.000 1.059 418 D HN 0.387 nan 8.370 nan 0.000 0.493 419 P HA 0.043 nan 4.420 nan 0.000 0.253 419 P C 0.235 177.143 177.300 -0.654 0.000 1.260 419 P CA 0.297 63.309 63.100 -0.146 0.000 0.800 419 P CB 0.101 31.598 31.700 -0.338 0.000 1.162 420 H N -2.431 116.471 119.070 -0.280 0.000 2.553 420 H HA 0.091 4.648 4.556 0.001 0.000 0.265 420 H C 0.672 175.854 175.328 -0.242 0.000 0.964 420 H CA -0.264 55.620 56.048 -0.273 0.000 1.156 420 H CB -0.495 29.390 29.762 0.206 0.000 1.411 420 H HN 0.139 nan 8.280 nan 0.000 0.558 421 Y N 0.335 120.252 120.300 -0.639 0.000 2.652 421 Y HA -0.094 4.456 4.550 0.001 0.000 0.344 421 Y C 1.042 176.508 175.900 -0.724 0.000 1.254 421 Y CA 0.848 58.149 58.100 -1.332 0.000 1.480 421 Y CB 0.809 38.381 38.460 -1.480 0.000 1.345 421 Y HN -0.011 nan 8.280 nan 0.000 0.617 422 T N 2.994 116.603 114.554 -1.575 0.000 3.029 422 T HA 0.230 4.581 4.350 0.001 0.000 0.256 422 T C 0.553 174.743 174.700 -0.850 0.000 0.914 422 T CA 0.303 61.941 62.100 -0.769 0.000 0.880 422 T CB -0.168 68.463 68.868 -0.395 0.000 1.246 422 T HN 0.900 nan 8.240 nan 0.000 0.523 423 G N 1.242 109.104 108.800 -1.564 0.000 2.504 423 G HA2 0.623 4.584 3.960 0.001 0.000 0.257 423 G HA3 0.623 4.584 3.960 0.001 0.000 0.257 423 G C 0.046 174.786 174.900 -0.266 0.000 1.451 423 G CA 0.030 44.682 45.100 -0.746 0.000 1.059 423 G HN 0.476 nan 8.290 nan 0.000 0.550 424 A N -0.909 121.935 122.820 0.041 0.000 2.304 424 A HA 0.492 4.812 4.320 0.001 0.000 0.271 424 A C 0.496 178.215 177.584 0.225 0.000 1.091 424 A CA -0.400 51.711 52.037 0.122 0.000 0.812 424 A CB 0.330 19.374 19.000 0.073 0.000 1.056 424 A HN 0.468 nan 8.150 nan 0.000 0.489 425 E N 1.761 122.062 120.200 0.169 0.000 3.259 425 E HA -0.032 4.318 4.350 0.001 0.000 0.307 425 E C -0.353 176.293 176.600 0.077 0.000 1.375 425 E CA 0.352 56.833 56.400 0.134 0.000 1.472 425 E CB -0.690 29.068 29.700 0.097 0.000 1.174 425 E HN 0.551 nan 8.360 nan 0.000 0.473 426 D N 0.512 120.953 120.400 0.068 0.000 2.340 426 D HA 0.163 4.804 4.640 0.001 0.000 0.251 426 D C 0.458 176.754 176.300 -0.007 0.000 1.080 426 D CA -0.566 53.456 54.000 0.037 0.000 0.971 426 D CB 1.730 42.567 40.800 0.061 0.000 1.137 426 D HN 0.140 nan 8.370 nan 0.000 0.475 427 L N 1.566 122.795 121.223 0.011 0.000 2.694 427 L HA 0.112 4.453 4.340 0.001 0.000 0.228 427 L C 2.179 179.062 176.870 0.023 0.000 1.048 427 L CA 0.390 55.239 54.840 0.014 0.000 0.887 427 L CB -0.472 41.607 42.059 0.034 0.000 1.265 427 L HN 0.535 nan 8.230 nan 0.000 0.492 428 Q N -0.383 119.434 119.800 0.029 0.000 2.135 428 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 428 Q C 1.706 177.735 176.000 0.047 0.000 0.981 428 Q CA 2.408 58.232 55.803 0.036 0.000 0.856 428 Q CB -0.007 28.752 28.738 0.034 0.000 0.902 428 Q HN 0.403 nan 8.270 nan 0.000 0.425 429 V N 0.686 120.628 119.914 0.046 0.000 2.548 429 V HA -0.222 3.899 4.120 0.001 0.000 0.249 429 V C 2.231 178.374 176.094 0.082 0.000 1.055 429 V CA 1.579 63.927 62.300 0.080 0.000 1.065 429 V CB -0.377 31.507 31.823 0.101 0.000 0.681 429 V HN 0.419 nan 8.190 nan 0.000 0.462 430 M N -1.330 118.250 119.600 -0.034 0.000 2.248 430 M HA -0.003 4.477 4.480 0.001 0.000 0.265 430 M C 2.064 178.438 176.300 0.122 0.000 1.079 430 M CA 1.386 56.673 55.300 -0.023 0.000 1.150 430 M CB -0.156 32.380 32.600 -0.107 0.000 1.366 430 M HN 0.209 nan 8.290 nan 0.000 0.433 431 L N 0.044 121.308 121.223 0.069 0.000 2.072 431 L HA -0.125 4.215 4.340 0.001 0.000 0.205 431 L C 1.872 178.765 176.870 0.039 0.000 1.079 431 L CA 1.863 56.737 54.840 0.055 0.000 0.752 431 L CB -0.781 41.309 42.059 0.053 0.000 0.906 431 L HN 0.387 nan 8.230 nan 0.000 0.436 432 E N -0.620 119.609 120.200 0.048 0.000 2.340 432 E HA -0.037 4.313 4.350 0.001 0.000 0.194 432 E C 0.644 177.255 176.600 0.018 0.000 0.996 432 E CA 0.094 56.513 56.400 0.031 0.000 0.869 432 E CB 0.448 30.171 29.700 0.038 0.000 0.835 432 E HN 0.209 nan 8.360 nan 0.000 0.493 433 K N 0.392 120.820 120.400 0.047 0.000 2.811 433 K HA 0.167 4.488 4.320 0.001 0.000 0.217 433 K C 0.630 177.070 176.600 -0.267 0.000 1.115 433 K CA 0.175 56.452 56.287 -0.017 0.000 1.179 433 K CB 0.572 33.175 32.500 0.171 0.000 0.994 433 K HN 0.201 nan 8.250 nan 0.000 0.464 434 G N 1.019 109.708 108.800 -0.185 0.000 2.225 434 G HA2 -0.276 3.684 3.960 0.001 0.000 0.272 434 G HA3 -0.276 3.684 3.960 0.001 0.000 0.272 434 G C 0.686 175.412 174.900 -0.290 0.000 0.996 434 G CA 0.689 45.640 45.100 -0.249 0.000 0.710 434 G HN 0.560 nan 8.290 nan 0.000 0.522 435 W N -1.310 119.982 121.300 -0.012 0.000 2.421 435 W HA 0.328 4.989 4.660 0.001 0.000 0.270 435 W C 1.683 178.188 176.519 -0.024 0.000 1.233 435 W CA 0.440 57.801 57.345 0.027 0.000 1.226 435 W CB 0.083 29.548 29.460 0.008 0.000 1.121 435 W HN 0.476 nan 8.180 nan 0.000 0.579 436 C N 0.650 120.006 119.300 0.093 0.000 2.446 436 C HA 0.844 5.304 4.460 0.001 0.000 0.329 436 C C 0.234 175.158 174.990 -0.110 0.000 1.166 436 C CA 0.176 59.159 59.018 -0.059 0.000 1.341 436 C CB 0.086 27.797 27.740 -0.047 0.000 1.970 436 C HN 0.313 nan 8.230 nan 0.000 0.452 437 G N 3.815 112.475 108.800 -0.234 0.000 2.328 437 G HA2 0.411 4.371 3.960 0.001 0.000 0.295 437 G HA3 0.411 4.371 3.960 0.001 0.000 0.295 437 G C -2.011 172.653 174.900 -0.393 0.000 1.413 437 G CA -0.719 44.242 45.100 -0.230 0.000 0.817 437 G HN 0.736 nan 8.290 nan 0.000 0.546 438 W N 0.644 121.864 121.300 -0.134 0.000 2.311 438 W HA 0.667 5.328 4.660 0.001 0.000 0.310 438 W C 0.279 176.681 176.519 -0.195 0.000 1.274 438 W CA -0.136 57.121 57.345 -0.146 0.000 1.215 438 W CB 1.435 30.834 29.460 -0.102 0.000 1.227 438 W HN 0.256 nan 8.180 nan 0.000 0.523 439 K N 2.128 122.488 120.400 -0.066 0.000 2.324 439 K HA 0.458 4.779 4.320 0.001 0.000 0.253 439 K C -0.037 176.556 176.600 -0.011 0.000 0.932 439 K CA -0.631 55.527 56.287 -0.215 0.000 0.799 439 K CB 1.782 33.820 32.500 -0.771 0.000 1.154 439 K HN 0.255 nan 8.250 nan 0.000 0.425 440 S N 2.519 118.222 115.700 0.007 0.000 2.617 440 S HA 0.126 4.596 4.470 0.001 0.000 0.259 440 S C -1.621 173.059 174.600 0.133 0.000 1.301 440 S CA -0.987 57.277 58.200 0.106 0.000 0.984 440 S CB 0.364 63.601 63.200 0.062 0.000 0.954 440 S HN 0.452 nan 8.310 nan 0.000 0.572 441 P HA -0.064 nan 4.420 nan 0.000 0.223 441 P C 0.704 178.040 177.300 0.059 0.000 1.151 441 P CA 0.753 63.997 63.100 0.240 0.000 0.787 441 P CB -0.145 31.765 31.700 0.349 0.000 0.788 442 D N -1.292 119.135 120.400 0.045 0.000 2.368 442 D HA -0.146 4.494 4.640 0.001 0.000 0.250 442 D C 1.234 177.501 176.300 -0.054 0.000 1.142 442 D CA 0.022 54.028 54.000 0.010 0.000 0.925 442 D CB -0.673 40.139 40.800 0.020 0.000 0.896 442 D HN 0.161 nan 8.370 nan 0.000 0.525 443 F N 0.572 120.295 119.950 -0.379 0.000 2.219 443 F HA 0.142 4.669 4.527 0.001 0.000 0.294 443 F C 0.363 175.828 175.800 -0.559 0.000 1.086 443 F CA -0.402 57.247 58.000 -0.585 0.000 1.330 443 F CB -0.089 38.346 39.000 -0.942 0.000 1.047 443 F HN -0.146 nan 8.300 nan 0.000 0.495 444 W N 1.839 122.953 121.300 -0.311 0.000 2.126 444 W HA 0.147 4.807 4.660 0.001 0.000 0.346 444 W C 0.598 177.042 176.519 -0.124 0.000 1.279 444 W CA -0.682 56.447 57.345 -0.361 0.000 1.259 444 W CB -0.065 29.143 29.460 -0.420 0.000 1.133 444 W HN -0.082 nan 8.180 nan 0.000 0.592 445 N N 2.471 121.363 118.700 0.322 0.000 2.416 445 N HA -0.041 4.699 4.740 0.001 0.000 0.265 445 N C -0.141 175.492 175.510 0.204 0.000 1.195 445 N CA -0.511 52.648 53.050 0.181 0.000 0.943 445 N CB 0.297 38.847 38.487 0.106 0.000 1.115 445 N HN 0.132 nan 8.380 nan 0.000 0.481 446 K N 3.294 123.767 120.400 0.122 0.000 2.472 446 K HA -0.059 4.262 4.320 0.001 0.000 0.280 446 K C -0.484 176.158 176.600 0.070 0.000 1.028 446 K CA 0.457 56.804 56.287 0.101 0.000 1.045 446 K CB 0.168 32.709 32.500 0.067 0.000 0.902 446 K HN 0.718 nan 8.250 nan 0.000 0.478 447 D N -0.113 120.330 120.400 0.071 0.000 2.848 447 D HA -0.184 4.456 4.640 0.001 0.000 0.245 447 D C -0.512 175.790 176.300 0.004 0.000 1.122 447 D CA 1.046 55.069 54.000 0.038 0.000 0.769 447 D CB -1.061 39.754 40.800 0.025 0.000 1.025 447 D HN 0.655 nan 8.370 nan 0.000 0.423 448 A N 0.369 123.176 122.820 -0.021 0.000 2.527 448 A HA 0.660 4.981 4.320 0.001 0.000 0.293 448 A C -1.374 176.144 177.584 -0.111 0.000 1.117 448 A CA -0.888 51.062 52.037 -0.145 0.000 0.723 448 A CB 1.755 20.533 19.000 -0.371 0.000 1.313 448 A HN 0.170 nan 8.150 nan 0.000 0.411 449 Y N 0.957 121.088 120.300 -0.282 0.000 2.367 449 Y HA 0.627 5.177 4.550 0.001 0.000 0.342 449 Y C -1.649 174.071 175.900 -0.301 0.000 0.979 449 Y CA -0.751 57.243 58.100 -0.177 0.000 1.161 449 Y CB 0.384 38.797 38.460 -0.078 0.000 1.155 449 Y HN 0.491 nan 8.280 nan 0.000 0.503 450 Y N 5.037 125.140 120.300 -0.328 0.000 2.352 450 Y HA 0.352 4.902 4.550 0.001 0.000 0.339 450 Y C -0.427 175.141 175.900 -0.553 0.000 0.992 450 Y CA -0.895 56.961 58.100 -0.407 0.000 1.100 450 Y CB 1.325 39.555 38.460 -0.384 0.000 1.192 450 Y HN 0.672 nan 8.280 nan 0.000 0.458 451 N N 2.134 120.610 118.700 -0.373 0.000 2.319 451 N HA 0.674 5.414 4.740 0.001 0.000 0.305 451 N C -1.907 173.377 175.510 -0.378 0.000 1.103 451 N CA -0.753 51.996 53.050 -0.502 0.000 0.815 451 N CB 1.681 39.740 38.487 -0.713 0.000 1.288 451 N HN 0.339 nan 8.380 nan 0.000 0.493 452 L N -0.001 120.976 121.223 -0.410 0.000 2.346 452 L HA 0.496 4.837 4.340 0.001 0.000 0.276 452 L C -0.492 176.178 176.870 -0.334 0.000 1.006 452 L CA -0.770 53.868 54.840 -0.336 0.000 0.817 452 L CB 1.733 43.592 42.059 -0.333 0.000 1.272 452 L HN 0.801 nan 8.230 nan 0.000 0.421 453 C N 4.646 123.779 119.300 -0.278 0.000 2.264 453 C HA 0.715 5.175 4.460 0.001 0.000 0.324 453 C C -0.445 174.378 174.990 -0.279 0.000 1.267 453 C CA -0.570 58.300 59.018 -0.247 0.000 1.618 453 C CB -0.554 27.075 27.740 -0.185 0.000 2.278 453 C HN 0.630 nan 8.230 nan 0.000 0.499 454 L N 9.386 130.430 121.223 -0.299 0.000 2.277 454 L HA 0.465 4.805 4.340 0.001 0.000 0.284 454 L C -2.095 174.685 176.870 -0.150 0.000 1.028 454 L CA -1.247 53.360 54.840 -0.388 0.000 0.835 454 L CB 1.161 42.930 42.059 -0.484 0.000 1.215 454 L HN 0.471 nan 8.230 nan 0.000 0.425 455 P HA 0.278 nan 4.420 nan 0.000 0.281 455 P C -0.987 176.351 177.300 0.064 0.000 1.249 455 P CA -0.618 62.500 63.100 0.030 0.000 0.810 455 P CB 0.871 32.665 31.700 0.156 0.000 1.008 456 Q N 1.399 121.246 119.800 0.079 0.000 2.301 456 Q HA 0.352 4.693 4.340 0.001 0.000 0.267 456 Q C -0.010 176.033 176.000 0.071 0.000 1.035 456 Q CA -0.771 55.044 55.803 0.021 0.000 0.856 456 Q CB 1.890 30.619 28.738 -0.016 0.000 1.337 456 Q HN 0.476 nan 8.270 nan 0.000 0.450 457 R N 0.552 121.030 120.500 -0.036 0.000 2.298 457 R HA 0.515 4.855 4.340 0.001 0.000 0.310 457 R C -2.171 174.078 176.300 -0.085 0.000 1.068 457 R CA -1.310 54.725 56.100 -0.109 0.000 0.957 457 R CB -0.380 29.819 30.300 -0.168 0.000 1.003 457 R HN 0.181 nan 8.270 nan 0.000 0.454 458 P HA 0.026 nan 4.420 nan 0.000 0.275 458 P C -0.908 176.470 177.300 0.130 0.000 1.270 458 P CA -0.598 62.510 63.100 0.014 0.000 0.791 458 P CB 0.426 32.153 31.700 0.045 0.000 1.089 459 N N -0.011 118.775 118.700 0.144 0.000 2.422 459 N HA 0.492 5.233 4.740 0.001 0.000 0.264 459 N C -0.595 175.046 175.510 0.217 0.000 1.063 459 N CA -0.295 52.857 53.050 0.170 0.000 0.959 459 N CB 1.166 39.719 38.487 0.110 0.000 1.087 459 N HN 0.467 nan 8.380 nan 0.000 0.483 460 A N 2.146 125.122 122.820 0.260 0.000 2.610 460 A HA 0.796 5.117 4.320 0.001 0.000 0.291 460 A C -1.428 176.210 177.584 0.091 0.000 1.086 460 A CA -0.656 51.495 52.037 0.189 0.000 0.677 460 A CB 1.562 20.712 19.000 0.250 0.000 1.278 460 A HN 0.616 nan 8.150 nan 0.000 0.414 461 L N 0.000 121.247 121.223 0.041 0.000 2.949 461 L HA 0.000 4.340 4.340 0.001 0.000 0.249 461 L CA 0.000 54.858 54.840 0.030 0.000 0.813 461 L CB 0.000 42.043 42.059 -0.026 0.000 0.961 461 L HN 0.000 nan 8.230 nan 0.000 0.502