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 1is2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNPDLRKERA SATFNPELIT HILDGSPENT RRRREIENLI LNDPDFQHED DATA SEQUENCE YNFLTRSQRY EVAVKKSATM VKKMREYGIS DPEEIMWFKN SVHRGHPEPL DATA SEQUENCE DLHLGMFLPT LLHQATAEQQ ERFFMPAWNL EITGTYAQTE MGHGTHLRGL DATA SEQUENCE ETTATYDPKT QEFILNSPTV TSIKWWPGGL GKTSNHAIVL AQLITQGECY DATA SEQUENCE GLHAFVVPIR EIGTHKPLPG ITVGDIGPKF GYEEMDNGYL KMDNYRIPRE DATA SEQUENCE NMLMKYAQVK PDGTYVKXXX XKLTYGTMVF VRSFLVGNAA QSLSKACTIA DATA SEQUENCE IRYSAVRRQS EIKQSEPEPQ ILDFQTQQYK LFPLLATAYA FHFVGRYMKE DATA SEQUENCE TYLRINESIG QGDLSELPEL HALTAGLKAF TTWTANAGIE ECRMACGGHG DATA SEQUENCE YSHSSGIPNI YVTFTPACTF EGENTVMMLQ TARFLMKIYD QVRSGKLVGG DATA SEQUENCE MVSYLNDLPS XXXXXXXXXX XXXXVDINSL EGLTEAYKLR AARLVEIAAK DATA SEQUENCE NLQTHVSHRK SKEVAWNLTS VDLVRASEAH CHYVVVKVFS DKLPKIQDKA DATA SEQUENCE VQAVLRNLCL LYSLYGISQK GGDFLEGSII TGAQLSQVNA RILELLTLIR DATA SEQUENCE PNAVALVDAF DFKDMTLGSV LGRYDGNVYE NLFEWAKKSP LNKTEVHESY DATA SEQUENCE HKHLK 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 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 N N 1.740 120.423 118.700 -0.028 0.000 2.359 2 N HA 0.141 5.220 4.740 0.566 0.000 0.261 2 N C -1.974 173.516 175.510 -0.033 0.000 1.267 2 N CA -0.652 52.382 53.050 -0.026 0.000 0.864 2 N CB 0.865 39.327 38.487 -0.042 0.000 1.063 2 N HN 0.447 nan 8.380 nan 0.000 0.474 3 P HA -0.136 nan 4.420 nan 0.000 0.217 3 P C 0.541 177.821 177.300 -0.033 0.000 1.151 3 P CA 1.171 64.258 63.100 -0.022 0.000 0.849 3 P CB 0.308 32.001 31.700 -0.011 0.000 0.787 4 D N -1.264 119.115 120.400 -0.034 0.000 2.117 4 D HA -0.108 4.872 4.640 0.566 0.000 0.197 4 D C 1.836 178.101 176.300 -0.058 0.000 0.987 4 D CA 1.039 55.013 54.000 -0.042 0.000 0.829 4 D CB -0.582 40.194 40.800 -0.041 0.000 0.961 4 D HN 0.055 nan 8.370 nan 0.000 0.460 5 L N 0.604 121.782 121.223 -0.076 0.000 2.109 5 L HA -0.011 4.669 4.340 0.566 0.000 0.207 5 L C 2.370 179.177 176.870 -0.106 0.000 1.086 5 L CA 1.094 55.870 54.840 -0.107 0.000 0.760 5 L CB -0.566 41.399 42.059 -0.156 0.000 0.910 5 L HN -0.079 nan 8.230 nan 0.000 0.437 6 R N -0.061 120.388 120.500 -0.085 0.000 2.096 6 R HA -0.231 4.449 4.340 0.566 0.000 0.235 6 R C 2.346 178.609 176.300 -0.061 0.000 1.127 6 R CA 1.754 57.812 56.100 -0.070 0.000 0.968 6 R CB -0.114 30.157 30.300 -0.047 0.000 0.861 6 R HN 0.290 nan 8.270 nan 0.000 0.440 7 K N 0.262 120.630 120.400 -0.053 0.000 2.057 7 K HA -0.169 4.491 4.320 0.566 0.000 0.207 7 K C 1.668 178.237 176.600 -0.052 0.000 1.049 7 K CA 1.725 57.984 56.287 -0.046 0.000 0.931 7 K CB 0.052 32.529 32.500 -0.038 0.000 0.714 7 K HN 0.149 nan 8.250 nan 0.000 0.440 8 E N 0.766 120.932 120.200 -0.057 0.000 2.077 8 E HA -0.170 4.520 4.350 0.566 0.000 0.193 8 E C 2.163 178.716 176.600 -0.079 0.000 0.989 8 E CA 1.221 57.588 56.400 -0.056 0.000 0.800 8 E CB -0.154 29.517 29.700 -0.049 0.000 0.746 8 E HN 0.369 nan 8.360 nan 0.000 0.452 9 R N 0.522 120.965 120.500 -0.095 0.000 2.148 9 R HA 0.000 4.680 4.340 0.566 0.000 0.227 9 R C 2.193 178.423 176.300 -0.116 0.000 1.103 9 R CA 1.049 57.079 56.100 -0.116 0.000 0.983 9 R CB -0.186 30.050 30.300 -0.106 0.000 0.874 9 R HN 0.100 nan 8.270 nan 0.000 0.451 10 A N 0.545 123.313 122.820 -0.087 0.000 2.067 10 A HA -0.084 4.576 4.320 0.566 0.000 0.217 10 A C 2.022 179.559 177.584 -0.079 0.000 1.156 10 A CA 1.312 53.303 52.037 -0.077 0.000 0.683 10 A CB -0.169 18.798 19.000 -0.055 0.000 0.808 10 A HN 0.371 nan 8.150 nan 0.000 0.455 11 S N -0.157 115.498 115.700 -0.076 0.000 2.496 11 S HA 0.441 5.251 4.470 0.566 0.000 0.224 11 S C 1.064 175.615 174.600 -0.081 0.000 0.996 11 S CA 0.341 58.504 58.200 -0.062 0.000 0.927 11 S CB -0.647 62.529 63.200 -0.041 0.000 0.774 11 S HN 0.857 nan 8.310 nan 0.000 0.524 12 A N 2.378 125.113 122.820 -0.142 0.000 2.540 12 A HA 0.383 5.043 4.320 0.566 0.000 0.239 12 A C 1.371 178.837 177.584 -0.196 0.000 1.061 12 A CA 0.464 52.361 52.037 -0.233 0.000 0.758 12 A CB -0.063 18.642 19.000 -0.491 0.000 0.991 12 A HN 0.607 nan 8.150 nan 0.000 0.502 13 T N -0.616 113.894 114.554 -0.073 0.000 3.086 13 T HA 0.417 5.107 4.350 0.566 0.000 0.250 13 T C 0.023 174.769 174.700 0.076 0.000 1.074 13 T CA 0.462 62.575 62.100 0.021 0.000 0.988 13 T CB -0.828 68.097 68.868 0.094 0.000 0.988 13 T HN 0.954 nan 8.240 nan 0.000 0.530 14 F N -0.716 119.200 119.950 -0.057 0.000 2.643 14 F HA 0.746 5.612 4.527 0.566 0.000 0.314 14 F C -0.972 174.794 175.800 -0.057 0.000 1.096 14 F CA -1.938 56.028 58.000 -0.057 0.000 0.953 14 F CB 0.819 39.777 39.000 -0.069 0.000 1.345 14 F HN -0.203 nan 8.300 nan 0.000 0.468 15 N N 3.423 122.120 118.700 -0.004 0.000 2.406 15 N HA 0.334 5.413 4.740 0.566 0.000 0.251 15 N C -1.670 173.869 175.510 0.049 0.000 1.069 15 N CA -2.807 50.193 53.050 -0.083 0.000 0.947 15 N CB 1.069 39.539 38.487 -0.028 0.000 1.111 15 N HN 0.457 nan 8.380 nan 0.000 0.497 16 P HA -0.152 nan 4.420 nan 0.000 0.221 16 P C 0.706 177.999 177.300 -0.013 0.000 1.145 16 P CA 0.908 64.071 63.100 0.104 0.000 0.795 16 P CB 0.577 32.268 31.700 -0.015 0.000 0.775 17 E N 0.422 120.558 120.200 -0.107 0.000 2.150 17 E HA -0.101 4.589 4.350 0.566 0.000 0.193 17 E C 2.123 178.430 176.600 -0.488 0.000 0.985 17 E CA 0.814 57.058 56.400 -0.261 0.000 0.814 17 E CB -1.055 28.514 29.700 -0.218 0.000 0.752 17 E HN 0.201 nan 8.360 nan 0.000 0.466 18 L N 0.016 121.089 121.223 -0.250 0.000 2.201 18 L HA -0.071 4.609 4.340 0.566 0.000 0.212 18 L C 2.235 179.067 176.870 -0.064 0.000 1.105 18 L CA 0.706 55.446 54.840 -0.166 0.000 0.775 18 L CB -0.267 41.800 42.059 0.014 0.000 0.913 18 L HN 0.230 nan 8.230 nan 0.000 0.440 19 I N -0.777 119.779 120.570 -0.023 0.000 2.500 19 I HA -0.185 4.325 4.170 0.566 0.000 0.252 19 I C 2.384 178.504 176.117 0.006 0.000 1.142 19 I CA 0.996 62.314 61.300 0.030 0.000 1.451 19 I CB -0.312 37.710 38.000 0.036 0.000 1.093 19 I HN 0.209 nan 8.210 nan 0.000 0.430 20 T N -0.449 114.054 114.554 -0.085 0.000 2.746 20 T HA -0.181 4.509 4.350 0.566 0.000 0.267 20 T C 1.830 176.544 174.700 0.023 0.000 1.039 20 T CA 1.291 63.340 62.100 -0.085 0.000 1.142 20 T CB -0.339 68.445 68.868 -0.140 0.000 0.866 20 T HN 0.304 nan 8.240 nan 0.000 0.444 21 H N 0.978 120.053 119.070 0.007 0.000 2.319 21 H HA 0.048 4.944 4.556 0.566 0.000 0.299 21 H C 2.331 177.689 175.328 0.051 0.000 1.092 21 H CA 0.852 56.912 56.048 0.020 0.000 1.302 21 H CB -0.760 29.019 29.762 0.027 0.000 1.373 21 H HN 0.357 nan 8.280 nan 0.000 0.497 22 I N 0.078 120.771 120.570 0.205 0.000 2.226 22 I HA -0.238 4.272 4.170 0.566 0.000 0.245 22 I C 2.036 178.265 176.117 0.186 0.000 1.100 22 I CA 0.607 62.025 61.300 0.198 0.000 1.374 22 I CB -0.148 37.985 38.000 0.222 0.000 1.057 22 I HN 0.127 nan 8.210 nan 0.000 0.413 23 L N 0.166 121.453 121.223 0.106 0.000 2.056 23 L HA -0.210 4.470 4.340 0.566 0.000 0.207 23 L C 2.069 178.989 176.870 0.082 0.000 1.078 23 L CA 1.904 56.757 54.840 0.021 0.000 0.749 23 L CB -1.424 40.553 42.059 -0.137 0.000 0.901 23 L HN 0.280 nan 8.230 nan 0.000 0.433 24 D N -0.982 119.471 120.400 0.088 0.000 2.312 24 D HA 0.041 5.021 4.640 0.566 0.000 0.211 24 D C 1.838 178.245 176.300 0.179 0.000 0.964 24 D CA 1.186 55.265 54.000 0.132 0.000 0.877 24 D CB 0.577 41.413 40.800 0.060 0.000 0.924 24 D HN 0.461 nan 8.370 nan 0.000 0.515 25 G N 0.265 109.158 108.800 0.155 0.000 2.339 25 G HA2 -0.213 4.086 3.960 0.566 0.000 0.209 25 G HA3 -0.213 4.086 3.960 0.566 0.000 0.209 25 G C 0.343 175.309 174.900 0.109 0.000 1.015 25 G CA 0.386 45.573 45.100 0.144 0.000 0.635 25 G HN 0.691 nan 8.290 nan 0.000 0.499 26 S N -1.016 114.737 115.700 0.089 0.000 2.595 26 S HA 0.699 5.508 4.470 0.566 0.000 0.270 26 S C -2.463 172.095 174.600 -0.071 0.000 1.145 26 S CA -0.072 58.140 58.200 0.020 0.000 0.825 26 S CB 1.852 65.063 63.200 0.019 0.000 1.107 26 S HN -0.043 nan 8.310 nan 0.000 0.461 27 P HA -0.073 nan 4.420 nan 0.000 0.215 27 P C 1.489 178.660 177.300 -0.214 0.000 1.153 27 P CA 1.630 64.387 63.100 -0.572 0.000 0.853 27 P CB 0.074 31.383 31.700 -0.651 0.000 0.788 28 E N 0.192 120.322 120.200 -0.115 0.000 2.085 28 E HA -0.223 4.467 4.350 0.566 0.000 0.194 28 E C 1.691 178.293 176.600 0.003 0.000 0.994 28 E CA 1.855 58.232 56.400 -0.039 0.000 0.801 28 E CB -1.192 28.504 29.700 -0.008 0.000 0.743 28 E HN 0.257 nan 8.360 nan 0.000 0.453 29 N N -1.115 117.609 118.700 0.040 0.000 2.166 29 N HA -0.133 4.947 4.740 0.566 0.000 0.186 29 N C 1.569 177.039 175.510 -0.066 0.000 1.019 29 N CA 1.528 54.645 53.050 0.111 0.000 0.856 29 N CB -0.133 38.476 38.487 0.202 0.000 0.993 29 N HN 0.193 nan 8.380 nan 0.000 0.426 30 T N 0.756 115.273 114.554 -0.063 0.000 2.708 30 T HA -0.161 4.529 4.350 0.566 0.000 0.266 30 T C 1.836 176.445 174.700 -0.152 0.000 1.037 30 T CA 0.915 62.949 62.100 -0.110 0.000 1.146 30 T CB -0.148 68.756 68.868 0.061 0.000 0.865 30 T HN 0.246 nan 8.240 nan 0.000 0.435 31 R N 0.630 121.078 120.500 -0.086 0.000 2.083 31 R HA -0.114 4.566 4.340 0.566 0.000 0.237 31 R C 2.599 178.843 176.300 -0.093 0.000 1.137 31 R CA 1.518 57.574 56.100 -0.075 0.000 0.951 31 R CB -0.133 30.143 30.300 -0.040 0.000 0.851 31 R HN 0.075 nan 8.270 nan 0.000 0.434 32 R N 1.054 121.513 120.500 -0.068 0.000 2.073 32 R HA -0.117 4.563 4.340 0.566 0.000 0.234 32 R C 2.302 178.519 176.300 -0.137 0.000 1.134 32 R CA 2.054 58.151 56.100 -0.006 0.000 0.952 32 R CB -0.616 29.787 30.300 0.170 0.000 0.850 32 R HN 0.233 nan 8.270 nan 0.000 0.433 33 R N -0.035 120.128 120.500 -0.561 0.000 2.091 33 R HA -0.097 4.582 4.340 0.566 0.000 0.238 33 R C 2.214 178.248 176.300 -0.443 0.000 1.136 33 R CA 1.843 57.367 56.100 -0.959 0.000 0.959 33 R CB -0.159 29.161 30.300 -1.634 0.000 0.856 33 R HN 0.186 nan 8.270 nan 0.000 0.437 34 R N 0.120 120.427 120.500 -0.322 0.000 2.075 34 R HA -0.141 4.539 4.340 0.566 0.000 0.232 34 R C 2.342 178.558 176.300 -0.140 0.000 1.126 34 R CA 1.757 57.733 56.100 -0.205 0.000 0.963 34 R CB -0.255 29.950 30.300 -0.159 0.000 0.858 34 R HN 0.412 nan 8.270 nan 0.000 0.435 35 E N 0.979 121.115 120.200 -0.108 0.000 2.038 35 E HA -0.224 4.466 4.350 0.566 0.000 0.195 35 E C 1.907 178.470 176.600 -0.062 0.000 1.000 35 E CA 1.471 57.832 56.400 -0.065 0.000 0.803 35 E CB -0.065 29.616 29.700 -0.030 0.000 0.750 35 E HN 0.268 nan 8.360 nan 0.000 0.448 36 I N 0.901 121.453 120.570 -0.030 0.000 2.208 36 I HA -0.272 4.238 4.170 0.566 0.000 0.245 36 I C 2.360 178.415 176.117 -0.103 0.000 1.097 36 I CA 1.331 62.638 61.300 0.011 0.000 1.363 36 I CB -0.352 37.760 38.000 0.187 0.000 1.051 36 I HN 0.215 nan 8.210 nan 0.000 0.413 37 E N 0.805 120.926 120.200 -0.131 0.000 2.077 37 E HA -0.227 4.463 4.350 0.566 0.000 0.193 37 E C 1.768 178.280 176.600 -0.148 0.000 0.989 37 E CA 1.384 57.686 56.400 -0.164 0.000 0.800 37 E CB -0.267 29.339 29.700 -0.156 0.000 0.746 37 E HN 0.587 nan 8.360 nan 0.000 0.452 38 N N 0.321 118.953 118.700 -0.115 0.000 2.381 38 N HA -0.082 4.998 4.740 0.566 0.000 0.182 38 N C 1.743 177.209 175.510 -0.072 0.000 1.025 38 N CA 0.212 53.212 53.050 -0.085 0.000 0.888 38 N CB 0.078 38.523 38.487 -0.069 0.000 0.965 38 N HN 0.088 nan 8.380 nan 0.000 0.438 39 L N 0.061 121.223 121.223 -0.102 0.000 2.093 39 L HA -0.126 4.554 4.340 0.566 0.000 0.208 39 L C 1.566 178.432 176.870 -0.005 0.000 1.085 39 L CA 0.891 55.679 54.840 -0.085 0.000 0.755 39 L CB -0.215 41.729 42.059 -0.191 0.000 0.904 39 L HN 0.177 nan 8.230 nan 0.000 0.435 40 I N -1.131 119.370 120.570 -0.115 0.000 2.400 40 I HA -0.178 4.332 4.170 0.566 0.000 0.248 40 I C 2.205 178.349 176.117 0.045 0.000 1.109 40 I CA 0.802 62.084 61.300 -0.030 0.000 1.425 40 I CB -0.383 37.354 38.000 -0.438 0.000 1.094 40 I HN 0.019 nan 8.210 nan 0.000 0.425 41 L N 0.846 122.044 121.223 -0.041 0.000 2.013 41 L HA -0.220 4.460 4.340 0.566 0.000 0.212 41 L C 1.840 178.710 176.870 0.001 0.000 1.073 41 L CA 1.892 56.715 54.840 -0.029 0.000 0.753 41 L CB -0.710 41.318 42.059 -0.051 0.000 0.890 41 L HN 0.340 nan 8.230 nan 0.000 0.432 42 N N -0.913 117.792 118.700 0.008 0.000 2.383 42 N HA -0.035 5.045 4.740 0.566 0.000 0.192 42 N C -0.063 175.463 175.510 0.027 0.000 1.141 42 N CA 0.179 53.235 53.050 0.011 0.000 0.851 42 N CB -0.120 38.370 38.487 0.005 0.000 0.976 42 N HN 0.293 nan 8.380 nan 0.000 0.465 43 D N 1.318 121.754 120.400 0.060 0.000 2.380 43 D HA 0.183 5.163 4.640 0.566 0.000 0.230 43 D C -1.680 174.612 176.300 -0.013 0.000 1.154 43 D CA -2.086 51.935 54.000 0.036 0.000 0.859 43 D CB 1.844 42.701 40.800 0.095 0.000 1.045 43 D HN -0.044 nan 8.370 nan 0.000 0.495 44 P HA -0.098 nan 4.420 nan 0.000 0.219 44 P C 0.738 177.985 177.300 -0.088 0.000 1.146 44 P CA 0.684 63.754 63.100 -0.050 0.000 0.808 44 P CB 0.418 32.091 31.700 -0.047 0.000 0.779 45 D N -1.605 118.676 120.400 -0.197 0.000 2.263 45 D HA -0.090 4.890 4.640 0.566 0.000 0.208 45 D C 1.273 177.409 176.300 -0.275 0.000 0.971 45 D CA 1.036 54.858 54.000 -0.297 0.000 0.867 45 D CB -0.389 40.127 40.800 -0.474 0.000 0.929 45 D HN 0.330 nan 8.370 nan 0.000 0.492 46 F N 0.447 120.391 119.950 -0.010 0.000 2.727 46 F HA 0.150 5.016 4.527 0.564 0.000 0.302 46 F C 1.207 177.014 175.800 0.011 0.000 1.097 46 F CA -0.388 57.601 58.000 -0.018 0.000 1.330 46 F CB 0.442 39.405 39.000 -0.061 0.000 1.084 46 F HN -0.316 nan 8.300 nan 0.000 0.578 47 Q N 1.149 121.017 119.800 0.113 0.000 2.260 47 Q HA 0.323 5.003 4.340 0.566 0.000 0.242 47 Q C -0.406 175.609 176.000 0.026 0.000 0.932 47 Q CA -0.260 55.536 55.803 -0.012 0.000 0.891 47 Q CB 1.194 29.905 28.738 -0.045 0.000 1.222 47 Q HN 0.320 nan 8.270 nan 0.000 0.453 48 H N -1.234 117.762 119.070 -0.123 0.000 2.935 48 H HA 0.204 5.101 4.556 0.568 0.000 0.297 48 H C -1.275 173.949 175.328 -0.173 0.000 1.423 48 H CA -0.884 55.072 56.048 -0.152 0.000 1.161 48 H CB 0.685 30.324 29.762 -0.205 0.000 1.841 48 H HN 0.598 nan 8.280 nan 0.000 0.506 49 E N 1.274 121.455 120.200 -0.031 0.000 2.437 49 E HA -0.023 4.667 4.350 0.566 0.000 0.263 49 E C -0.229 176.284 176.600 -0.146 0.000 1.030 49 E CA -0.058 56.309 56.400 -0.054 0.000 0.934 49 E CB 0.329 30.048 29.700 0.032 0.000 0.943 49 E HN 0.495 nan 8.360 nan 0.000 0.444 50 D N 3.416 123.675 120.400 -0.236 0.000 2.520 50 D HA -0.137 4.843 4.640 0.566 0.000 0.243 50 D C 0.430 176.582 176.300 -0.246 0.000 1.160 50 D CA 0.543 54.306 54.000 -0.396 0.000 0.877 50 D CB 0.231 40.517 40.800 -0.856 0.000 1.150 50 D HN 0.619 nan 8.370 nan 0.000 0.494 51 Y N 3.114 123.344 120.300 -0.116 0.000 2.096 51 Y HA -0.314 4.576 4.550 0.565 0.000 0.278 51 Y C 2.333 178.191 175.900 -0.070 0.000 1.192 51 Y CA 1.317 59.385 58.100 -0.052 0.000 1.143 51 Y CB -0.061 38.365 38.460 -0.055 0.000 0.963 51 Y HN 0.516 nan 8.280 nan 0.000 0.505 52 N N -0.348 118.360 118.700 0.013 0.000 2.443 52 N HA -0.147 4.933 4.740 0.566 0.000 0.184 52 N C 1.053 176.668 175.510 0.175 0.000 1.037 52 N CA 1.189 54.234 53.050 -0.009 0.000 0.896 52 N CB -0.467 38.004 38.487 -0.026 0.000 0.959 52 N HN 0.425 nan 8.380 nan 0.000 0.442 53 F N 0.467 120.416 119.950 -0.001 0.000 2.765 53 F HA 0.248 5.115 4.527 0.567 0.000 0.302 53 F C 0.661 176.455 175.800 -0.010 0.000 1.111 53 F CA -0.372 57.593 58.000 -0.058 0.000 1.359 53 F CB 0.378 39.302 39.000 -0.126 0.000 1.097 53 F HN -0.196 nan 8.300 nan 0.000 0.577 54 L N 0.074 121.414 121.223 0.195 0.000 2.333 54 L HA 0.372 5.052 4.340 0.566 0.000 0.269 54 L C 0.646 177.593 176.870 0.129 0.000 1.010 54 L CA -1.008 53.917 54.840 0.142 0.000 0.818 54 L CB 1.906 44.042 42.059 0.128 0.000 1.306 54 L HN -0.047 nan 8.230 nan 0.000 0.430 55 T N -2.239 112.380 114.554 0.107 0.000 2.701 55 T HA 0.103 4.792 4.350 0.566 0.000 0.303 55 T C 1.119 175.885 174.700 0.111 0.000 1.030 55 T CA -0.232 61.929 62.100 0.101 0.000 1.010 55 T CB 0.993 69.911 68.868 0.084 0.000 1.007 55 T HN 0.636 nan 8.240 nan 0.000 0.532 56 R N -0.075 120.487 120.500 0.104 0.000 2.081 56 R HA -0.104 4.576 4.340 0.566 0.000 0.235 56 R C 2.778 179.157 176.300 0.131 0.000 1.131 56 R CA 1.635 57.801 56.100 0.109 0.000 0.960 56 R CB -0.833 29.520 30.300 0.088 0.000 0.856 56 R HN 0.795 nan 8.270 nan 0.000 0.436 57 S N 0.565 116.335 115.700 0.117 0.000 2.353 57 S HA -0.213 4.597 4.470 0.566 0.000 0.222 57 S C 1.828 176.518 174.600 0.151 0.000 1.035 57 S CA 1.582 59.868 58.200 0.144 0.000 1.025 57 S CB -0.065 63.196 63.200 0.102 0.000 0.902 57 S HN 0.437 nan 8.310 nan 0.000 0.440 58 Q N -0.049 119.814 119.800 0.106 0.000 2.226 58 Q HA -0.007 4.673 4.340 0.566 0.000 0.204 58 Q C 2.534 178.586 176.000 0.086 0.000 0.975 58 Q CA 0.898 56.745 55.803 0.074 0.000 0.866 58 Q CB -0.130 28.647 28.738 0.064 0.000 0.915 58 Q HN 0.454 nan 8.270 nan 0.000 0.440 59 R N -0.302 120.285 120.500 0.146 0.000 2.073 59 R HA -0.138 4.541 4.340 0.566 0.000 0.229 59 R C 2.166 178.580 176.300 0.190 0.000 1.120 59 R CA 1.248 57.474 56.100 0.210 0.000 0.967 59 R CB -0.299 30.127 30.300 0.210 0.000 0.862 59 R HN 0.327 nan 8.270 nan 0.000 0.436 60 Y N 1.991 122.323 120.300 0.053 0.000 2.200 60 Y HA -0.203 4.683 4.550 0.560 0.000 0.290 60 Y C 2.224 178.134 175.900 0.017 0.000 1.137 60 Y CA 1.755 59.870 58.100 0.025 0.000 1.163 60 Y CB -0.412 38.054 38.460 0.010 0.000 0.988 60 Y HN 0.085 nan 8.280 nan 0.000 0.518 61 E N -0.331 119.748 120.200 -0.202 0.000 2.058 61 E HA -0.189 4.501 4.350 0.566 0.000 0.194 61 E C 2.088 178.552 176.600 -0.226 0.000 0.997 61 E CA 2.052 58.277 56.400 -0.292 0.000 0.801 61 E CB -0.265 29.364 29.700 -0.118 0.000 0.746 61 E HN 0.355 nan 8.360 nan 0.000 0.450 62 V N 1.212 121.042 119.914 -0.139 0.000 2.343 62 V HA -0.277 4.183 4.120 0.566 0.000 0.247 62 V C 2.475 178.480 176.094 -0.149 0.000 1.051 62 V CA 1.805 63.991 62.300 -0.190 0.000 1.036 62 V CB -0.862 30.773 31.823 -0.313 0.000 0.654 62 V HN 0.485 nan 8.190 nan 0.000 0.451 63 A N -0.189 122.610 122.820 -0.036 0.000 1.883 63 A HA -0.182 4.478 4.320 0.566 0.000 0.217 63 A C 2.420 180.009 177.584 0.008 0.000 1.186 63 A CA 2.211 54.292 52.037 0.073 0.000 0.624 63 A CB -0.780 18.272 19.000 0.086 0.000 0.822 63 A HN 0.323 nan 8.150 nan 0.000 0.444 64 V N 1.346 121.152 119.914 -0.180 0.000 2.255 64 V HA -0.355 4.105 4.120 0.566 0.000 0.247 64 V C 2.667 178.690 176.094 -0.118 0.000 1.051 64 V CA 2.678 64.850 62.300 -0.213 0.000 1.018 64 V CB -0.843 30.715 31.823 -0.441 0.000 0.641 64 V HN 0.898 nan 8.190 nan 0.000 0.445 65 K N 0.290 120.615 120.400 -0.124 0.000 2.097 65 K HA -0.184 4.476 4.320 0.566 0.000 0.205 65 K C 2.082 178.678 176.600 -0.006 0.000 1.050 65 K CA 1.607 57.845 56.287 -0.081 0.000 0.938 65 K CB -0.348 32.094 32.500 -0.096 0.000 0.718 65 K HN 0.307 nan 8.250 nan 0.000 0.442 66 K N 0.781 121.197 120.400 0.026 0.000 2.097 66 K HA -0.014 4.645 4.320 0.566 0.000 0.205 66 K C 2.284 178.995 176.600 0.184 0.000 1.050 66 K CA 1.506 57.868 56.287 0.125 0.000 0.938 66 K CB -0.046 32.458 32.500 0.006 0.000 0.718 66 K HN 0.151 nan 8.250 nan 0.000 0.442 67 S N 0.901 116.718 115.700 0.195 0.000 2.368 67 S HA -0.106 4.704 4.470 0.566 0.000 0.224 67 S C 2.114 176.781 174.600 0.112 0.000 1.029 67 S CA 1.126 59.459 58.200 0.221 0.000 0.988 67 S CB -0.150 63.139 63.200 0.148 0.000 0.838 67 S HN 0.415 nan 8.310 nan 0.000 0.462 68 A N 1.369 124.206 122.820 0.029 0.000 1.883 68 A HA -0.153 4.507 4.320 0.566 0.000 0.217 68 A C 2.328 179.928 177.584 0.026 0.000 1.186 68 A CA 2.244 54.265 52.037 -0.026 0.000 0.624 68 A CB -1.474 17.479 19.000 -0.078 0.000 0.822 68 A HN 0.479 nan 8.150 nan 0.000 0.444 69 T N -0.316 114.284 114.554 0.077 0.000 2.746 69 T HA -0.199 4.491 4.350 0.566 0.000 0.267 69 T C 1.910 176.777 174.700 0.278 0.000 1.039 69 T CA 1.688 63.852 62.100 0.108 0.000 1.142 69 T CB -0.326 68.576 68.868 0.057 0.000 0.866 69 T HN 0.531 nan 8.240 nan 0.000 0.444 70 M N 0.940 120.787 119.600 0.411 0.000 2.082 70 M HA -0.162 4.658 4.480 0.566 0.000 0.258 70 M C 2.123 178.568 176.300 0.241 0.000 1.069 70 M CA 1.702 57.274 55.300 0.453 0.000 1.102 70 M CB -0.381 32.410 32.600 0.319 0.000 1.336 70 M HN 0.095 nan 8.290 nan 0.000 0.404 71 V N 0.736 120.730 119.914 0.134 0.000 2.233 71 V HA -0.331 4.129 4.120 0.566 0.000 0.247 71 V C 2.366 178.481 176.094 0.036 0.000 1.050 71 V CA 2.446 64.780 62.300 0.057 0.000 1.010 71 V CB -0.984 30.848 31.823 0.015 0.000 0.637 71 V HN 0.561 nan 8.190 nan 0.000 0.444 72 K N -0.119 120.298 120.400 0.028 0.000 2.044 72 K HA -0.241 4.419 4.320 0.566 0.000 0.210 72 K C 2.280 178.867 176.600 -0.022 0.000 1.049 72 K CA 1.540 57.830 56.287 0.004 0.000 0.927 72 K CB -0.090 32.398 32.500 -0.021 0.000 0.713 72 K HN 0.268 nan 8.250 nan 0.000 0.443 73 K N 0.297 120.715 120.400 0.029 0.000 2.057 73 K HA -0.090 4.570 4.320 0.566 0.000 0.206 73 K C 2.129 178.680 176.600 -0.080 0.000 1.050 73 K CA 1.435 57.708 56.287 -0.024 0.000 0.935 73 K CB -0.221 32.520 32.500 0.402 0.000 0.715 73 K HN 0.341 nan 8.250 nan 0.000 0.439 74 M N 0.219 119.747 119.600 -0.120 0.000 2.229 74 M HA -0.128 4.692 4.480 0.566 0.000 0.264 74 M C 2.368 178.611 176.300 -0.096 0.000 1.063 74 M CA 1.221 56.367 55.300 -0.257 0.000 1.114 74 M CB -0.220 32.168 32.600 -0.352 0.000 1.387 74 M HN 0.106 nan 8.290 nan 0.000 0.420 75 R N 0.980 121.449 120.500 -0.052 0.000 2.062 75 R HA -0.150 4.529 4.340 0.566 0.000 0.231 75 R C 1.746 178.025 176.300 -0.035 0.000 1.136 75 R CA 1.808 57.903 56.100 -0.007 0.000 0.948 75 R CB -0.142 30.189 30.300 0.052 0.000 0.845 75 R HN 0.389 nan 8.270 nan 0.000 0.430 76 E N -0.532 119.605 120.200 -0.106 0.000 2.118 76 E HA -0.213 4.476 4.350 0.566 0.000 0.195 76 E C 1.685 178.199 176.600 -0.144 0.000 0.992 76 E CA 1.341 57.639 56.400 -0.171 0.000 0.804 76 E CB -0.128 29.387 29.700 -0.309 0.000 0.741 76 E HN 0.469 nan 8.360 nan 0.000 0.458 77 Y N -0.128 120.168 120.300 -0.006 0.000 2.561 77 Y HA 0.136 5.025 4.550 0.566 0.000 0.291 77 Y C 1.616 177.510 175.900 -0.010 0.000 1.141 77 Y CA 0.653 58.755 58.100 0.004 0.000 1.303 77 Y CB 0.086 38.552 38.460 0.009 0.000 1.015 77 Y HN 0.095 nan 8.280 nan 0.000 0.547 78 G N 1.107 109.963 108.800 0.093 0.000 2.225 78 G HA2 -0.291 4.008 3.960 0.566 0.000 0.264 78 G HA3 -0.291 4.008 3.960 0.566 0.000 0.264 78 G C -0.074 174.849 174.900 0.039 0.000 1.060 78 G CA 0.006 45.137 45.100 0.053 0.000 0.833 78 G HN 0.348 nan 8.290 nan 0.000 0.498 79 I N 1.703 122.278 120.570 0.009 0.000 2.281 79 I HA 0.257 4.767 4.170 0.566 0.000 0.293 79 I C 1.440 177.533 176.117 -0.040 0.000 1.085 79 I CA 0.348 61.633 61.300 -0.025 0.000 1.257 79 I CB 1.018 38.957 38.000 -0.103 0.000 1.430 79 I HN 0.291 nan 8.210 nan 0.000 0.489 80 S N 1.967 117.652 115.700 -0.024 0.000 2.575 80 S HA 0.028 4.838 4.470 0.566 0.000 0.230 80 S C 0.458 175.029 174.600 -0.049 0.000 1.062 80 S CA -0.448 57.736 58.200 -0.027 0.000 0.913 80 S CB -0.070 63.124 63.200 -0.010 0.000 0.837 80 S HN 0.635 nan 8.310 nan 0.000 0.487 81 D N 4.793 125.158 120.400 -0.058 0.000 2.487 81 D HA 0.152 5.132 4.640 0.566 0.000 0.243 81 D C -0.913 175.301 176.300 -0.144 0.000 1.154 81 D CA -1.490 52.453 54.000 -0.095 0.000 0.876 81 D CB 1.045 41.784 40.800 -0.103 0.000 1.161 81 D HN 0.055 nan 8.370 nan 0.000 0.478 82 P HA -0.210 nan 4.420 nan 0.000 0.217 82 P C 0.911 178.025 177.300 -0.309 0.000 1.148 82 P CA 1.197 64.180 63.100 -0.195 0.000 0.828 82 P CB 0.304 31.906 31.700 -0.163 0.000 0.783 83 E N 0.264 120.230 120.200 -0.390 0.000 2.028 83 E HA -0.161 4.529 4.350 0.566 0.000 0.191 83 E C 2.132 178.194 176.600 -0.898 0.000 0.988 83 E CA 1.037 57.026 56.400 -0.684 0.000 0.799 83 E CB -0.198 29.047 29.700 -0.758 0.000 0.755 83 E HN 0.430 nan 8.360 nan 0.000 0.447 84 E N 0.462 120.293 120.200 -0.615 0.000 2.160 84 E HA -0.178 4.511 4.350 0.566 0.000 0.195 84 E C 2.157 178.735 176.600 -0.036 0.000 0.991 84 E CA 0.741 56.994 56.400 -0.246 0.000 0.810 84 E CB -0.129 29.555 29.700 -0.026 0.000 0.742 84 E HN 0.325 nan 8.360 nan 0.000 0.466 85 I N 0.465 120.970 120.570 -0.108 0.000 2.394 85 I HA -0.242 4.268 4.170 0.566 0.000 0.251 85 I C 2.452 178.574 176.117 0.009 0.000 1.136 85 I CA 0.601 61.886 61.300 -0.024 0.000 1.425 85 I CB -0.087 37.868 38.000 -0.075 0.000 1.079 85 I HN 0.172 nan 8.210 nan 0.000 0.425 86 M N 0.589 120.105 119.600 -0.140 0.000 2.077 86 M HA -0.185 4.635 4.480 0.566 0.000 0.261 86 M C 1.925 178.281 176.300 0.093 0.000 1.070 86 M CA 1.972 57.200 55.300 -0.120 0.000 1.125 86 M CB -0.563 31.848 32.600 -0.315 0.000 1.339 86 M HN 0.165 nan 8.290 nan 0.000 0.409 87 W N -0.452 120.861 121.300 0.022 0.000 2.335 87 W HA -0.203 4.797 4.660 0.568 0.000 0.311 87 W C 2.504 179.039 176.519 0.026 0.000 1.213 87 W CA 1.092 58.450 57.345 0.021 0.000 1.274 87 W CB -1.860 27.613 29.460 0.022 0.000 1.148 87 W HN 0.293 nan 8.180 nan 0.000 0.498 88 F N 1.314 121.376 119.950 0.186 0.000 2.095 88 F HA -0.247 4.619 4.527 0.566 0.000 0.298 88 F C 2.595 178.391 175.800 -0.007 0.000 1.104 88 F CA 2.641 60.676 58.000 0.060 0.000 1.232 88 F CB -0.427 38.603 39.000 0.051 0.000 0.987 88 F HN -0.222 nan 8.300 nan 0.000 0.475 89 K N 0.215 120.784 120.400 0.281 0.000 2.097 89 K HA -0.199 4.461 4.320 0.566 0.000 0.206 89 K C 1.790 178.466 176.600 0.126 0.000 1.049 89 K CA 1.821 58.233 56.287 0.209 0.000 0.933 89 K CB -0.317 32.296 32.500 0.189 0.000 0.717 89 K HN 0.417 nan 8.250 nan 0.000 0.442 90 N N -0.409 118.355 118.700 0.106 0.000 2.142 90 N HA -0.110 4.970 4.740 0.566 0.000 0.186 90 N C 1.634 177.158 175.510 0.024 0.000 1.023 90 N CA 1.305 54.414 53.050 0.099 0.000 0.852 90 N CB 0.039 38.611 38.487 0.141 0.000 0.998 90 N HN 0.065 nan 8.380 nan 0.000 0.424 91 S N 0.246 115.898 115.700 -0.079 0.000 2.383 91 S HA -0.064 4.746 4.470 0.566 0.000 0.227 91 S C 2.162 176.588 174.600 -0.291 0.000 1.026 91 S CA 0.637 58.726 58.200 -0.184 0.000 0.981 91 S CB -0.148 62.876 63.200 -0.295 0.000 0.818 91 S HN 0.103 nan 8.310 nan 0.000 0.472 92 V N 1.368 121.010 119.914 -0.454 0.000 2.307 92 V HA -0.127 4.332 4.120 0.566 0.000 0.245 92 V C 1.850 177.661 176.094 -0.472 0.000 1.045 92 V CA 1.484 63.375 62.300 -0.682 0.000 1.024 92 V CB -0.529 30.731 31.823 -0.939 0.000 0.651 92 V HN 0.570 nan 8.190 nan 0.000 0.449 93 H N -0.126 118.909 119.070 -0.058 0.000 2.551 93 H HA 0.263 5.160 4.556 0.567 0.000 0.271 93 H C 0.570 175.977 175.328 0.131 0.000 0.984 93 H CA -0.059 56.024 56.048 0.059 0.000 1.164 93 H CB 0.138 29.930 29.762 0.050 0.000 1.437 93 H HN 0.410 nan 8.280 nan 0.000 0.550 94 R N 0.227 120.821 120.500 0.156 0.000 3.188 94 R HA -0.228 4.452 4.340 0.566 0.000 0.247 94 R C 1.181 177.655 176.300 0.289 0.000 0.918 94 R CA 0.389 56.597 56.100 0.180 0.000 0.629 94 R CB -2.323 28.071 30.300 0.156 0.000 1.087 94 R HN 0.635 nan 8.270 nan 0.000 0.462 95 G N -1.156 107.762 108.800 0.196 0.000 2.302 95 G HA2 -0.410 3.890 3.960 0.566 0.000 0.263 95 G HA3 -0.410 3.890 3.960 0.566 0.000 0.263 95 G C 0.220 175.155 174.900 0.059 0.000 0.995 95 G CA 0.964 46.135 45.100 0.118 0.000 0.622 95 G HN 0.674 nan 8.290 nan 0.000 0.538 96 H N 2.554 121.615 119.070 -0.015 0.000 2.679 96 H HA 0.460 5.355 4.556 0.565 0.000 0.369 96 H C -1.576 173.634 175.328 -0.198 0.000 1.178 96 H CA -0.337 55.624 56.048 -0.146 0.000 1.419 96 H CB 0.623 30.243 29.762 -0.236 0.000 1.458 96 H HN 0.281 nan 8.280 nan 0.000 0.605 97 P HA 0.162 nan 4.420 nan 0.000 0.279 97 P C -1.024 176.072 177.300 -0.340 0.000 1.252 97 P CA -0.630 62.233 63.100 -0.395 0.000 0.811 97 P CB 1.407 32.572 31.700 -0.893 0.000 1.035 98 E N 0.810 120.801 120.200 -0.348 0.000 2.331 98 E HA 0.374 5.064 4.350 0.566 0.000 0.275 98 E C -2.417 174.092 176.600 -0.152 0.000 0.895 98 E CA -2.168 54.029 56.400 -0.338 0.000 0.753 98 E CB 0.757 29.936 29.700 -0.868 0.000 1.216 98 E HN 0.098 nan 8.360 nan 0.000 0.434 99 P HA -0.161 nan 4.420 nan 0.000 0.224 99 P C 0.425 177.734 177.300 0.014 0.000 1.142 99 P CA 1.068 64.195 63.100 0.044 0.000 0.778 99 P CB 0.264 32.054 31.700 0.150 0.000 0.764 100 L N -1.147 120.064 121.223 -0.020 0.000 2.818 100 L HA 0.159 4.839 4.340 0.566 0.000 0.243 100 L C 1.860 178.772 176.870 0.069 0.000 1.185 100 L CA -0.042 54.808 54.840 0.017 0.000 0.988 100 L CB -0.448 41.592 42.059 -0.032 0.000 1.292 100 L HN -0.111 nan 8.230 nan 0.000 0.519 101 D N 0.747 121.158 120.400 0.019 0.000 2.092 101 D HA -0.204 4.775 4.640 0.566 0.000 0.193 101 D C 2.122 178.455 176.300 0.056 0.000 0.994 101 D CA 1.474 55.481 54.000 0.013 0.000 0.828 101 D CB 0.355 41.143 40.800 -0.021 0.000 0.963 101 D HN 0.051 nan 8.370 nan 0.000 0.450 102 L N 0.290 121.563 121.223 0.083 0.000 2.072 102 L HA -0.120 4.560 4.340 0.566 0.000 0.205 102 L C 2.408 179.381 176.870 0.172 0.000 1.079 102 L CA 1.419 56.330 54.840 0.119 0.000 0.752 102 L CB -1.757 40.385 42.059 0.138 0.000 0.906 102 L HN 0.433 nan 8.230 nan 0.000 0.436 103 H N 0.669 119.782 119.070 0.072 0.000 2.289 103 H HA -0.185 4.699 4.556 0.546 0.000 0.296 103 H C 2.163 177.584 175.328 0.155 0.000 1.091 103 H CA 1.949 58.051 56.048 0.090 0.000 1.274 103 H CB 0.178 29.937 29.762 -0.006 0.000 1.364 103 H HN 0.261 nan 8.280 nan 0.000 0.490 104 L N -0.738 120.604 121.223 0.197 0.000 2.307 104 L HA 0.074 4.754 4.340 0.566 0.000 0.211 104 L C 2.886 179.785 176.870 0.048 0.000 1.099 104 L CA 0.742 55.650 54.840 0.113 0.000 0.816 104 L CB -0.145 41.999 42.059 0.143 0.000 0.952 104 L HN 0.299 nan 8.230 nan 0.000 0.455 105 G N -1.432 107.398 108.800 0.050 0.000 2.662 105 G HA2 -0.032 4.267 3.960 0.566 0.000 0.212 105 G HA3 -0.032 4.267 3.960 0.566 0.000 0.212 105 G C 1.450 176.354 174.900 0.008 0.000 1.141 105 G CA 0.127 45.230 45.100 0.006 0.000 0.797 105 G HN 0.037 nan 8.290 nan 0.000 0.531 106 M N -1.605 118.035 119.600 0.067 0.000 2.363 106 M HA 0.389 5.208 4.480 0.566 0.000 0.243 106 M C 1.732 178.122 176.300 0.150 0.000 1.364 106 M CA -0.268 55.076 55.300 0.073 0.000 1.104 106 M CB -0.425 32.183 32.600 0.013 0.000 1.570 106 M HN 0.181 nan 8.290 nan 0.000 0.564 107 F N 2.072 122.039 119.950 0.030 0.000 2.039 107 F HA -0.115 4.701 4.527 0.482 0.000 0.294 107 F C 1.992 177.819 175.800 0.044 0.000 1.130 107 F CA 1.907 59.927 58.000 0.033 0.000 1.189 107 F CB -0.439 38.542 39.000 -0.031 0.000 0.983 107 F HN -0.002 nan 8.300 nan 0.000 0.471 108 L N -0.014 121.233 121.223 0.040 0.000 2.046 108 L HA -0.135 4.545 4.340 0.566 0.000 0.208 108 L C -0.490 176.500 176.870 0.200 0.000 1.077 108 L CA 1.221 56.102 54.840 0.069 0.000 0.747 108 L CB -2.137 39.916 42.059 -0.011 0.000 0.896 108 L HN 0.131 nan 8.230 nan 0.000 0.432 109 P HA -0.128 nan 4.420 nan 0.000 0.216 109 P C 1.613 179.082 177.300 0.282 0.000 1.150 109 P CA 1.394 64.579 63.100 0.141 0.000 0.837 109 P CB -0.009 31.687 31.700 -0.006 0.000 0.786 110 T N -0.731 113.959 114.554 0.225 0.000 2.821 110 T HA -0.039 4.651 4.350 0.566 0.000 0.267 110 T C 1.675 176.403 174.700 0.046 0.000 1.046 110 T CA 0.957 63.153 62.100 0.160 0.000 1.139 110 T CB -0.744 68.142 68.868 0.030 0.000 0.871 110 T HN 0.049 nan 8.240 nan 0.000 0.454 111 L N 0.499 121.702 121.223 -0.032 0.000 2.056 111 L HA 0.063 4.742 4.340 0.566 0.000 0.207 111 L C 2.468 179.278 176.870 -0.100 0.000 1.078 111 L CA 0.879 55.678 54.840 -0.068 0.000 0.749 111 L CB -0.467 41.564 42.059 -0.046 0.000 0.901 111 L HN 0.241 nan 8.230 nan 0.000 0.433 112 L N -0.669 120.497 121.223 -0.094 0.000 2.131 112 L HA -0.264 4.416 4.340 0.566 0.000 0.210 112 L C 2.558 179.402 176.870 -0.044 0.000 1.092 112 L CA 1.428 56.129 54.840 -0.232 0.000 0.759 112 L CB -0.389 41.581 42.059 -0.148 0.000 0.903 112 L HN 0.477 nan 8.230 nan 0.000 0.435 113 H N -0.914 118.141 119.070 -0.026 0.000 2.486 113 H HA -0.013 4.880 4.556 0.563 0.000 0.287 113 H C 1.303 176.582 175.328 -0.081 0.000 1.010 113 H CA 0.797 56.850 56.048 0.009 0.000 1.324 113 H CB 0.656 30.526 29.762 0.180 0.000 1.446 113 H HN 0.486 nan 8.280 nan 0.000 0.537 114 Q N -0.238 119.433 119.800 -0.214 0.000 2.211 114 Q HA 0.322 5.002 4.340 0.566 0.000 0.242 114 Q C 0.263 176.128 176.000 -0.225 0.000 0.825 114 Q CA -0.108 55.499 55.803 -0.327 0.000 0.951 114 Q CB 1.676 30.253 28.738 -0.268 0.000 1.130 114 Q HN 0.200 nan 8.270 nan 0.000 0.496 115 A N 1.787 124.517 122.820 -0.151 0.000 2.351 115 A HA 0.413 5.073 4.320 0.566 0.000 0.257 115 A C 0.531 178.048 177.584 -0.112 0.000 1.087 115 A CA -0.218 51.760 52.037 -0.099 0.000 0.798 115 A CB 0.290 19.265 19.000 -0.042 0.000 1.033 115 A HN 0.216 nan 8.150 nan 0.000 0.488 116 T N -1.059 113.450 114.554 -0.074 0.000 2.874 116 T HA 0.513 5.203 4.350 0.566 0.000 0.281 116 T C 1.405 176.065 174.700 -0.066 0.000 0.994 116 T CA -0.060 61.993 62.100 -0.078 0.000 1.015 116 T CB 1.153 69.987 68.868 -0.057 0.000 1.028 116 T HN 1.313 nan 8.240 nan 0.000 0.523 117 A N 1.495 124.272 122.820 -0.071 0.000 1.896 117 A HA -0.237 4.423 4.320 0.566 0.000 0.220 117 A C 2.199 179.752 177.584 -0.052 0.000 1.206 117 A CA 2.447 54.446 52.037 -0.065 0.000 0.647 117 A CB -1.308 17.657 19.000 -0.058 0.000 0.828 117 A HN 1.093 nan 8.150 nan 0.000 0.455 118 E N 0.055 120.227 120.200 -0.047 0.000 2.150 118 E HA -0.209 4.481 4.350 0.566 0.000 0.193 118 E C 1.886 178.435 176.600 -0.084 0.000 0.985 118 E CA 1.691 58.058 56.400 -0.055 0.000 0.814 118 E CB -0.595 29.080 29.700 -0.041 0.000 0.752 118 E HN 0.760 nan 8.360 nan 0.000 0.466 119 Q N 0.324 120.099 119.800 -0.041 0.000 2.046 119 Q HA -0.125 4.555 4.340 0.566 0.000 0.200 119 Q C 2.398 178.399 176.000 0.002 0.000 0.975 119 Q CA 1.681 57.485 55.803 0.002 0.000 0.836 119 Q CB -0.162 28.660 28.738 0.140 0.000 0.896 119 Q HN 0.490 nan 8.270 nan 0.000 0.428 120 Q N 0.564 120.374 119.800 0.016 0.000 2.181 120 Q HA -0.193 4.487 4.340 0.566 0.000 0.205 120 Q C 1.752 177.810 176.000 0.098 0.000 0.980 120 Q CA 1.214 57.058 55.803 0.069 0.000 0.862 120 Q CB -0.016 28.683 28.738 -0.066 0.000 0.905 120 Q HN 0.462 nan 8.270 nan 0.000 0.429 121 E N 0.387 120.586 120.200 -0.000 0.000 2.152 121 E HA -0.111 4.579 4.350 0.566 0.000 0.192 121 E C 1.989 178.551 176.600 -0.063 0.000 0.983 121 E CA 0.535 56.932 56.400 -0.003 0.000 0.818 121 E CB 0.038 29.718 29.700 -0.032 0.000 0.758 121 E HN 0.268 nan 8.360 nan 0.000 0.467 122 R N -0.466 119.889 120.500 -0.241 0.000 2.127 122 R HA 0.055 4.735 4.340 0.566 0.000 0.217 122 R C 1.577 177.592 176.300 -0.475 0.000 1.074 122 R CA 0.915 56.718 56.100 -0.495 0.000 0.991 122 R CB 0.159 29.863 30.300 -0.992 0.000 0.895 122 R HN 0.207 nan 8.270 nan 0.000 0.450 123 F N -2.475 117.522 119.950 0.079 0.000 2.711 123 F HA 0.142 5.111 4.527 0.738 0.000 0.296 123 F C 1.625 177.496 175.800 0.119 0.000 1.096 123 F CA -0.481 57.553 58.000 0.056 0.000 1.280 123 F CB 0.065 39.089 39.000 0.040 0.000 1.060 123 F HN -0.134 nan 8.300 nan 0.000 0.608 124 F N 0.546 120.576 119.950 0.134 0.000 2.164 124 F HA -0.011 4.851 4.527 0.557 0.000 0.287 124 F C 2.295 178.178 175.800 0.139 0.000 1.086 124 F CA 1.195 59.249 58.000 0.090 0.000 1.249 124 F CB -0.220 38.796 39.000 0.026 0.000 1.059 124 F HN -0.199 nan 8.300 nan 0.000 0.490 125 M N 0.843 120.638 119.600 0.324 0.000 2.082 125 M HA -0.143 4.677 4.480 0.566 0.000 0.258 125 M C -0.987 175.486 176.300 0.289 0.000 1.069 125 M CA 2.179 57.633 55.300 0.256 0.000 1.102 125 M CB -1.697 31.025 32.600 0.203 0.000 1.336 125 M HN -0.057 nan 8.290 nan 0.000 0.404 126 P HA -0.041 nan 4.420 nan 0.000 0.228 126 P C 0.562 177.934 177.300 0.119 0.000 1.151 126 P CA 1.396 64.631 63.100 0.224 0.000 0.770 126 P CB -0.200 31.589 31.700 0.148 0.000 0.786 127 A N -0.439 122.446 122.820 0.107 0.000 2.169 127 A HA -0.090 4.570 4.320 0.566 0.000 0.212 127 A C 1.883 179.463 177.584 -0.008 0.000 1.153 127 A CA 0.194 52.271 52.037 0.066 0.000 0.756 127 A CB -1.600 17.469 19.000 0.116 0.000 0.813 127 A HN 0.385 nan 8.150 nan 0.000 0.471 128 W N 1.945 123.220 121.300 -0.041 0.000 2.331 128 W HA -0.213 4.786 4.660 0.565 0.000 0.291 128 W C 0.421 176.931 176.519 -0.015 0.000 1.214 128 W CA 1.429 58.752 57.345 -0.037 0.000 1.228 128 W CB -0.810 28.634 29.460 -0.027 0.000 1.135 128 W HN 0.572 nan 8.180 nan 0.000 0.537 129 N N 0.430 118.415 118.700 -1.191 0.000 2.291 129 N HA 0.102 5.182 4.740 0.566 0.000 0.244 129 N C 0.607 175.762 175.510 -0.590 0.000 1.216 129 N CA 0.137 52.508 53.050 -1.131 0.000 0.879 129 N CB -0.905 36.413 38.487 -1.948 0.000 1.167 129 N HN 0.318 nan 8.380 nan 0.000 0.515 130 L N -0.487 120.510 121.223 -0.377 0.000 4.232 130 L HA -0.276 4.404 4.340 0.566 0.000 0.415 130 L C 1.398 178.158 176.870 -0.184 0.000 1.168 130 L CA 0.989 55.688 54.840 -0.236 0.000 0.966 130 L CB -1.589 40.314 42.059 -0.259 0.000 2.052 130 L HN 0.413 nan 8.230 nan 0.000 0.887 131 E N 0.783 120.867 120.200 -0.192 0.000 2.153 131 E HA -0.071 4.619 4.350 0.566 0.000 0.194 131 E C 0.803 177.413 176.600 0.018 0.000 0.988 131 E CA 0.908 57.255 56.400 -0.088 0.000 0.811 131 E CB 0.273 29.941 29.700 -0.054 0.000 0.746 131 E HN 0.623 nan 8.360 nan 0.000 0.466 132 I N 0.904 121.501 120.570 0.046 0.000 2.474 132 I HA 0.178 4.687 4.170 0.566 0.000 0.294 132 I C -0.780 175.408 176.117 0.119 0.000 1.005 132 I CA -0.694 60.680 61.300 0.125 0.000 1.113 132 I CB 2.158 40.219 38.000 0.102 0.000 1.289 132 I HN -0.072 nan 8.210 nan 0.000 0.436 133 T N 1.713 116.326 114.554 0.098 0.000 2.881 133 T HA 0.727 5.417 4.350 0.566 0.000 0.291 133 T C -0.262 174.389 174.700 -0.081 0.000 0.990 133 T CA -0.741 61.387 62.100 0.047 0.000 0.976 133 T CB 1.744 70.561 68.868 -0.086 0.000 0.970 133 T HN 0.735 nan 8.240 nan 0.000 0.438 134 G N 0.437 109.056 108.800 -0.303 0.000 2.735 134 G HA2 0.805 5.104 3.960 0.566 0.000 0.301 134 G HA3 0.805 5.104 3.960 0.566 0.000 0.301 134 G C -1.072 173.548 174.900 -0.467 0.000 1.279 134 G CA -0.875 43.587 45.100 -1.062 0.000 1.019 134 G HN 0.915 nan 8.290 nan 0.000 0.497 135 T N -2.086 112.290 114.554 -0.296 0.000 2.792 135 T HA 0.510 5.200 4.350 0.566 0.000 0.303 135 T C -2.206 172.624 174.700 0.217 0.000 1.310 135 T CA -0.463 61.657 62.100 0.034 0.000 1.007 135 T CB 1.519 70.393 68.868 0.010 0.000 1.335 135 T HN 0.547 nan 8.240 nan 0.000 0.504 136 Y N 1.959 122.326 120.300 0.113 0.000 2.334 136 Y HA 0.705 5.582 4.550 0.546 0.000 0.336 136 Y C -0.405 175.551 175.900 0.094 0.000 0.960 136 Y CA -0.951 57.228 58.100 0.132 0.000 1.164 136 Y CB 1.007 39.547 38.460 0.133 0.000 1.155 136 Y HN 0.760 nan 8.280 nan 0.000 0.478 137 A N 6.565 129.190 122.820 -0.325 0.000 2.322 137 A HA 0.349 5.009 4.320 0.566 0.000 0.327 137 A C 0.315 177.663 177.584 -0.394 0.000 1.394 137 A CA -0.416 51.470 52.037 -0.252 0.000 0.921 137 A CB 0.661 19.595 19.000 -0.110 0.000 1.153 137 A HN 0.983 nan 8.150 nan 0.000 0.523 138 Q N 2.022 121.625 119.800 -0.329 0.000 2.619 138 Q HA 0.084 4.764 4.340 0.566 0.000 0.230 138 Q C 0.165 176.164 176.000 -0.002 0.000 0.871 138 Q CA 0.566 56.243 55.803 -0.210 0.000 0.934 138 Q CB 0.509 29.154 28.738 -0.154 0.000 1.183 138 Q HN 0.601 nan 8.270 nan 0.000 0.631 139 T N 2.024 116.626 114.554 0.080 0.000 2.940 139 T HA 0.119 4.809 4.350 0.566 0.000 0.309 139 T C -0.533 174.298 174.700 0.218 0.000 1.056 139 T CA 0.397 62.602 62.100 0.175 0.000 1.137 139 T CB 0.917 69.935 68.868 0.250 0.000 0.976 139 T HN 0.226 nan 8.240 nan 0.000 0.547 140 E N 1.198 121.537 120.200 0.233 0.000 2.320 140 E HA 0.305 4.995 4.350 0.566 0.000 0.264 140 E C 1.040 177.765 176.600 0.209 0.000 0.923 140 E CA -0.805 55.733 56.400 0.231 0.000 0.796 140 E CB 1.658 31.469 29.700 0.185 0.000 1.262 140 E HN 0.580 nan 8.360 nan 0.000 0.428 141 M N 0.878 120.548 119.600 0.116 0.000 2.195 141 M HA -0.110 4.710 4.480 0.566 0.000 0.260 141 M C 1.230 177.443 176.300 -0.144 0.000 1.066 141 M CA 2.361 57.561 55.300 -0.167 0.000 1.089 141 M CB -0.101 32.243 32.600 -0.427 0.000 1.377 141 M HN 0.666 nan 8.290 nan 0.000 0.411 142 G N -1.923 106.822 108.800 -0.091 0.000 2.986 142 G HA2 0.072 4.372 3.960 0.566 0.000 0.213 142 G HA3 0.072 4.372 3.960 0.566 0.000 0.213 142 G C -0.718 173.843 174.900 -0.564 0.000 1.156 142 G CA -0.152 44.792 45.100 -0.259 0.000 0.763 142 G HN 0.562 nan 8.290 nan 0.000 0.547 143 H N -2.197 116.911 119.070 0.064 0.000 3.017 143 H HA 0.496 5.391 4.556 0.565 0.000 0.340 143 H C 0.677 176.066 175.328 0.102 0.000 1.014 143 H CA -0.026 56.073 56.048 0.084 0.000 1.341 143 H CB 2.033 31.840 29.762 0.076 0.000 1.739 143 H HN 0.039 nan 8.280 nan 0.000 0.506 144 G N 0.927 109.834 108.800 0.178 0.000 2.868 144 G HA2 -0.064 4.236 3.960 0.566 0.000 0.201 144 G HA3 -0.064 4.236 3.960 0.566 0.000 0.201 144 G C 1.067 176.044 174.900 0.130 0.000 1.130 144 G CA 0.328 45.515 45.100 0.146 0.000 0.777 144 G HN 0.530 nan 8.290 nan 0.000 0.680 145 T N 0.112 114.745 114.554 0.131 0.000 2.809 145 T HA 0.032 4.722 4.350 0.566 0.000 0.260 145 T C 0.965 175.776 174.700 0.184 0.000 1.039 145 T CA 0.429 62.607 62.100 0.129 0.000 1.141 145 T CB -0.278 68.657 68.868 0.111 0.000 0.869 145 T HN 0.259 nan 8.240 nan 0.000 0.437 146 H N 2.057 121.196 119.070 0.115 0.000 2.982 146 H HA 0.164 5.060 4.556 0.568 0.000 0.261 146 H C 0.666 176.039 175.328 0.075 0.000 1.603 146 H CA -0.730 55.382 56.048 0.106 0.000 1.398 146 H CB -0.029 29.823 29.762 0.149 0.000 1.693 146 H HN 0.033 nan 8.280 nan 0.000 0.535 147 L N 3.508 124.675 121.223 -0.094 0.000 1.997 147 L HA -0.270 4.410 4.340 0.566 0.000 0.216 147 L C 2.709 179.419 176.870 -0.266 0.000 1.074 147 L CA 1.749 56.513 54.840 -0.127 0.000 0.763 147 L CB -0.828 41.183 42.059 -0.080 0.000 0.890 147 L HN 0.532 nan 8.230 nan 0.000 0.434 148 R N -0.532 119.704 120.500 -0.441 0.000 2.261 148 R HA -0.152 4.528 4.340 0.566 0.000 0.236 148 R C 1.901 177.968 176.300 -0.389 0.000 1.141 148 R CA 1.312 57.173 56.100 -0.398 0.000 1.001 148 R CB -0.484 29.560 30.300 -0.426 0.000 0.866 148 R HN 0.440 nan 8.270 nan 0.000 0.468 149 G N 0.140 108.636 108.800 -0.507 0.000 2.880 149 G HA2 0.088 4.388 3.960 0.566 0.000 0.209 149 G HA3 0.088 4.388 3.960 0.566 0.000 0.209 149 G C 0.377 174.770 174.900 -0.845 0.000 1.157 149 G CA -0.410 44.316 45.100 -0.624 0.000 0.779 149 G HN 0.134 nan 8.290 nan 0.000 0.539 150 L N 0.569 121.540 121.223 -0.419 0.000 2.543 150 L HA 0.045 4.725 4.340 0.566 0.000 0.285 150 L C 1.205 177.998 176.870 -0.129 0.000 1.236 150 L CA 0.327 55.059 54.840 -0.180 0.000 0.871 150 L CB 0.614 42.636 42.059 -0.062 0.000 1.121 150 L HN 0.263 nan 8.230 nan 0.000 0.501 151 E N 0.026 120.210 120.200 -0.028 0.000 2.473 151 E HA 0.051 4.741 4.350 0.566 0.000 0.204 151 E C -0.050 176.553 176.600 0.004 0.000 0.994 151 E CA -0.090 56.306 56.400 -0.006 0.000 0.945 151 E CB 0.470 30.192 29.700 0.037 0.000 0.990 151 E HN 0.652 nan 8.360 nan 0.000 0.493 152 T N 2.448 117.007 114.554 0.009 0.000 2.902 152 T HA 0.083 4.773 4.350 0.566 0.000 0.301 152 T C 0.276 174.968 174.700 -0.014 0.000 1.012 152 T CA 0.193 62.293 62.100 0.000 0.000 1.151 152 T CB 0.693 69.560 68.868 -0.002 0.000 0.946 152 T HN 0.114 nan 8.240 nan 0.000 0.542 153 T N -0.428 114.113 114.554 -0.022 0.000 2.855 153 T HA 0.713 5.403 4.350 0.566 0.000 0.281 153 T C -0.454 174.199 174.700 -0.077 0.000 1.007 153 T CA -1.156 60.930 62.100 -0.024 0.000 1.009 153 T CB 1.776 70.647 68.868 0.004 0.000 0.983 153 T HN 0.621 nan 8.240 nan 0.000 0.455 154 A N 2.667 125.424 122.820 -0.106 0.000 2.483 154 A HA 0.624 5.283 4.320 0.566 0.000 0.308 154 A C 0.185 177.849 177.584 0.133 0.000 1.291 154 A CA -0.785 51.126 52.037 -0.209 0.000 0.774 154 A CB 0.267 18.701 19.000 -0.944 0.000 1.134 154 A HN 0.826 nan 8.150 nan 0.000 0.471 155 T N 2.320 116.980 114.554 0.176 0.000 2.767 155 T HA 0.352 5.041 4.350 0.566 0.000 0.288 155 T C -0.430 174.418 174.700 0.247 0.000 0.963 155 T CA 0.120 62.349 62.100 0.214 0.000 1.019 155 T CB 0.330 69.256 68.868 0.096 0.000 0.923 155 T HN 0.455 nan 8.240 nan 0.000 0.468 156 Y N 2.947 123.305 120.300 0.097 0.000 2.346 156 Y HA 0.296 5.184 4.550 0.562 0.000 0.330 156 Y C 0.226 176.037 175.900 -0.149 0.000 1.178 156 Y CA -0.803 57.162 58.100 -0.224 0.000 1.331 156 Y CB 0.659 38.959 38.460 -0.266 0.000 1.253 156 Y HN 0.492 nan 8.280 nan 0.000 0.529 157 D N 7.895 127.655 120.400 -1.066 0.000 2.464 157 D HA 0.309 5.289 4.640 0.566 0.000 0.243 157 D C -2.219 173.527 176.300 -0.923 0.000 1.104 157 D CA -2.517 51.060 54.000 -0.704 0.000 0.883 157 D CB 1.719 42.268 40.800 -0.419 0.000 1.050 157 D HN 0.282 nan 8.370 nan 0.000 0.524 158 P HA -0.203 nan 4.420 nan 0.000 0.216 158 P C 1.364 178.554 177.300 -0.183 0.000 1.157 158 P CA 1.342 64.298 63.100 -0.239 0.000 0.880 158 P CB 0.309 31.989 31.700 -0.034 0.000 0.791 159 K N -0.515 119.786 120.400 -0.165 0.000 2.044 159 K HA -0.166 4.494 4.320 0.566 0.000 0.210 159 K C 1.651 178.180 176.600 -0.118 0.000 1.049 159 K CA 2.434 58.654 56.287 -0.112 0.000 0.927 159 K CB -0.562 31.881 32.500 -0.095 0.000 0.713 159 K HN 0.252 nan 8.250 nan 0.000 0.443 160 T N -2.574 111.876 114.554 -0.174 0.000 3.069 160 T HA 0.111 4.801 4.350 0.566 0.000 0.252 160 T C 0.047 174.656 174.700 -0.153 0.000 1.053 160 T CA -0.163 61.853 62.100 -0.140 0.000 0.964 160 T CB 0.132 68.922 68.868 -0.131 0.000 1.005 160 T HN 0.357 nan 8.240 nan 0.000 0.532 161 Q N 1.514 121.162 119.800 -0.253 0.000 2.463 161 Q HA -0.175 4.505 4.340 0.566 0.000 0.299 161 Q C -0.498 175.433 176.000 -0.115 0.000 1.353 161 Q CA 1.040 56.748 55.803 -0.158 0.000 0.828 161 Q CB -1.683 27.079 28.738 0.039 0.000 1.157 161 Q HN 0.957 nan 8.270 nan 0.000 0.436 162 E N -0.898 119.112 120.200 -0.317 0.000 2.408 162 E HA 0.659 5.349 4.350 0.566 0.000 0.275 162 E C -0.974 175.486 176.600 -0.232 0.000 0.935 162 E CA -1.033 55.289 56.400 -0.129 0.000 0.775 162 E CB 1.156 30.822 29.700 -0.057 0.000 1.277 162 E HN 0.022 nan 8.360 nan 0.000 0.455 163 F N 0.766 120.783 119.950 0.111 0.000 2.379 163 F HA 0.430 5.298 4.527 0.570 0.000 0.332 163 F C 0.290 176.079 175.800 -0.019 0.000 1.096 163 F CA -0.730 57.325 58.000 0.091 0.000 1.105 163 F CB 1.187 40.271 39.000 0.141 0.000 1.189 163 F HN 0.279 nan 8.300 nan 0.000 0.515 164 I N 4.696 125.359 120.570 0.155 0.000 2.359 164 I HA 0.176 4.686 4.170 0.566 0.000 0.284 164 I C -0.952 175.192 176.117 0.045 0.000 1.018 164 I CA -0.539 60.798 61.300 0.062 0.000 1.173 164 I CB 0.805 38.818 38.000 0.021 0.000 1.326 164 I HN 0.192 nan 8.210 nan 0.000 0.462 165 L N 5.527 126.780 121.223 0.049 0.000 2.290 165 L HA 0.356 5.035 4.340 0.566 0.000 0.284 165 L C -0.255 176.639 176.870 0.040 0.000 1.078 165 L CA 0.229 55.070 54.840 0.002 0.000 0.815 165 L CB 0.811 42.892 42.059 0.037 0.000 1.162 165 L HN 0.623 nan 8.230 nan 0.000 0.435 166 N N 0.884 119.587 118.700 0.005 0.000 2.260 166 N HA 0.318 5.397 4.740 0.566 0.000 0.293 166 N C -1.195 174.322 175.510 0.012 0.000 1.058 166 N CA -0.307 52.755 53.050 0.020 0.000 0.824 166 N CB 1.824 40.324 38.487 0.021 0.000 1.551 166 N HN 0.346 nan 8.380 nan 0.000 0.475 167 S N 3.750 119.461 115.700 0.019 0.000 2.457 167 S HA 0.261 5.071 4.470 0.566 0.000 0.216 167 S C -1.675 172.936 174.600 0.019 0.000 1.392 167 S CA -0.921 57.291 58.200 0.021 0.000 1.102 167 S CB 1.127 64.344 63.200 0.027 0.000 1.114 167 S HN 0.602 nan 8.310 nan 0.000 0.484 168 P HA -0.085 nan 4.420 nan 0.000 0.219 168 P C 0.626 177.931 177.300 0.008 0.000 1.146 168 P CA 1.241 64.348 63.100 0.012 0.000 0.808 168 P CB -0.049 31.658 31.700 0.012 0.000 0.779 169 T N -5.361 109.198 114.554 0.010 0.000 2.838 169 T HA 0.376 5.066 4.350 0.566 0.000 0.292 169 T C 1.095 175.788 174.700 -0.011 0.000 1.113 169 T CA -0.694 61.405 62.100 -0.001 0.000 1.008 169 T CB 1.394 70.264 68.868 0.003 0.000 1.259 169 T HN -0.266 nan 8.240 nan 0.000 0.520 170 V N 1.286 121.180 119.914 -0.034 0.000 2.407 170 V HA -0.158 4.302 4.120 0.566 0.000 0.248 170 V C 3.099 179.145 176.094 -0.079 0.000 1.055 170 V CA 2.555 64.815 62.300 -0.066 0.000 1.049 170 V CB -1.608 30.158 31.823 -0.095 0.000 0.662 170 V HN 1.130 nan 8.190 nan 0.000 0.455 171 T N -1.030 113.487 114.554 -0.062 0.000 2.995 171 T HA -0.137 4.552 4.350 0.566 0.000 0.269 171 T C 1.914 176.624 174.700 0.017 0.000 1.091 171 T CA 1.336 63.401 62.100 -0.059 0.000 1.128 171 T CB -0.451 68.392 68.868 -0.043 0.000 0.891 171 T HN 0.629 nan 8.240 nan 0.000 0.492 172 S N 1.270 116.993 115.700 0.039 0.000 2.453 172 S HA 0.140 4.950 4.470 0.566 0.000 0.231 172 S C 0.926 175.575 174.600 0.081 0.000 1.005 172 S CA -0.369 57.872 58.200 0.069 0.000 0.949 172 S CB -0.999 62.230 63.200 0.048 0.000 0.774 172 S HN 0.594 nan 8.310 nan 0.000 0.510 173 I N 2.858 123.476 120.570 0.079 0.000 2.826 173 I HA 0.002 4.512 4.170 0.566 0.000 0.295 173 I C 0.416 176.664 176.117 0.219 0.000 1.213 173 I CA -0.068 61.315 61.300 0.139 0.000 1.436 173 I CB 0.313 38.408 38.000 0.157 0.000 1.348 173 I HN 0.087 nan 8.210 nan 0.000 0.570 174 K N 6.313 126.827 120.400 0.191 0.000 2.448 174 K HA 0.089 4.749 4.320 0.566 0.000 0.278 174 K C -0.649 176.142 176.600 0.318 0.000 1.009 174 K CA 0.259 56.662 56.287 0.194 0.000 0.995 174 K CB 0.760 33.311 32.500 0.085 0.000 0.917 174 K HN 0.587 nan 8.250 nan 0.000 0.481 175 W N 3.705 125.051 121.300 0.077 0.000 2.968 175 W HA 0.127 5.130 4.660 0.571 0.000 0.337 175 W C -0.645 175.971 176.519 0.161 0.000 1.060 175 W CA -0.535 56.830 57.345 0.033 0.000 1.240 175 W CB 0.802 30.251 29.460 -0.018 0.000 1.370 175 W HN 0.846 nan 8.180 nan 0.000 0.459 176 W N 1.049 122.260 121.300 -0.149 0.000 0.424 176 W HA -0.193 4.803 4.660 0.560 0.000 0.218 176 W C -1.952 174.529 176.519 -0.062 0.000 0.926 176 W CA 0.087 57.388 57.345 -0.073 0.000 0.332 176 W CB -2.083 27.429 29.460 0.087 0.000 1.921 176 W HN 0.216 nan 8.180 nan 0.000 1.016 177 P HA 0.151 nan 4.420 nan 0.000 0.257 177 P C 0.584 177.919 177.300 0.058 0.000 1.153 177 P CA 1.811 64.969 63.100 0.097 0.000 0.762 177 P CB 0.050 31.771 31.700 0.035 0.000 0.743 178 G N 2.923 111.778 108.800 0.093 0.000 2.365 178 G HA2 0.371 4.671 3.960 0.566 0.000 0.249 178 G HA3 0.371 4.671 3.960 0.566 0.000 0.249 178 G C 1.103 176.027 174.900 0.039 0.000 1.288 178 G CA 0.235 45.384 45.100 0.081 0.000 0.887 178 G HN 0.842 nan 8.290 nan 0.000 0.524 179 G N 1.480 110.284 108.800 0.008 0.000 2.241 179 G HA2 -0.299 4.001 3.960 0.566 0.000 0.244 179 G HA3 -0.299 4.001 3.960 0.566 0.000 0.244 179 G C 1.260 176.130 174.900 -0.051 0.000 0.998 179 G CA 0.448 45.551 45.100 0.004 0.000 0.621 179 G HN 0.776 nan 8.290 nan 0.000 0.519 180 L N 1.030 122.199 121.223 -0.089 0.000 2.217 180 L HA 0.152 4.832 4.340 0.566 0.000 0.211 180 L C 2.767 179.492 176.870 -0.241 0.000 1.107 180 L CA 2.100 56.851 54.840 -0.148 0.000 0.783 180 L CB -0.655 41.316 42.059 -0.147 0.000 0.919 180 L HN 0.386 nan 8.230 nan 0.000 0.442 181 G N -0.338 108.301 108.800 -0.270 0.000 2.414 181 G HA2 -0.202 4.098 3.960 0.566 0.000 0.215 181 G HA3 -0.202 4.098 3.960 0.566 0.000 0.215 181 G C 1.506 176.223 174.900 -0.304 0.000 1.188 181 G CA 0.610 45.489 45.100 -0.369 0.000 0.783 181 G HN 0.219 nan 8.290 nan 0.000 0.537 182 K N -1.220 119.064 120.400 -0.192 0.000 2.603 182 K HA 0.121 4.781 4.320 0.566 0.000 0.216 182 K C 2.035 178.760 176.600 0.208 0.000 1.562 182 K CA 0.442 56.704 56.287 -0.042 0.000 1.012 182 K CB 0.275 32.739 32.500 -0.060 0.000 1.280 182 K HN 0.207 nan 8.250 nan 0.000 0.620 183 T N 1.157 115.811 114.554 0.167 0.000 2.814 183 T HA 0.067 4.757 4.350 0.566 0.000 0.254 183 T C 0.959 175.772 174.700 0.188 0.000 1.037 183 T CA 0.609 62.828 62.100 0.199 0.000 1.143 183 T CB 0.092 69.040 68.868 0.134 0.000 0.866 183 T HN -0.038 nan 8.240 nan 0.000 0.431 184 S N 2.741 118.487 115.700 0.076 0.000 2.565 184 S HA 0.172 4.982 4.470 0.566 0.000 0.276 184 S C 1.013 175.635 174.600 0.037 0.000 1.326 184 S CA -0.674 57.547 58.200 0.036 0.000 1.045 184 S CB 0.700 63.863 63.200 -0.060 0.000 0.918 184 S HN 0.608 nan 8.310 nan 0.000 0.505 185 N N 0.943 119.700 118.700 0.095 0.000 2.220 185 N HA 0.091 5.170 4.740 0.566 0.000 0.195 185 N C -0.502 174.937 175.510 -0.117 0.000 1.123 185 N CA 0.214 53.279 53.050 0.024 0.000 0.874 185 N CB 0.092 38.683 38.487 0.173 0.000 0.995 185 N HN 0.547 nan 8.380 nan 0.000 0.498 186 H N -0.404 118.620 119.070 -0.077 0.000 2.768 186 H HA 0.812 5.385 4.556 0.028 0.000 0.371 186 H C -1.180 174.046 175.328 -0.170 0.000 1.151 186 H CA -0.870 55.130 56.048 -0.081 0.000 1.165 186 H CB 2.211 31.965 29.762 -0.013 0.000 1.722 186 H HN 0.230 nan 8.280 nan 0.000 0.543 187 A N 2.660 125.516 122.820 0.061 0.000 2.427 187 A HA 0.481 5.140 4.320 0.566 0.000 0.298 187 A C -0.957 176.733 177.584 0.177 0.000 1.036 187 A CA -0.627 51.448 52.037 0.063 0.000 0.701 187 A CB 0.752 19.743 19.000 -0.016 0.000 1.250 187 A HN 0.679 nan 8.150 nan 0.000 0.412 188 I N 2.961 123.711 120.570 0.301 0.000 2.363 188 I HA 0.217 4.727 4.170 0.566 0.000 0.292 188 I C -0.405 175.785 176.117 0.123 0.000 1.075 188 I CA -0.199 61.270 61.300 0.281 0.000 1.333 188 I CB 1.016 39.269 38.000 0.421 0.000 1.415 188 I HN 0.320 nan 8.210 nan 0.000 0.502 189 V N 7.708 127.687 119.914 0.109 0.000 2.472 189 V HA 0.275 4.735 4.120 0.566 0.000 0.290 189 V C -0.045 176.114 176.094 0.109 0.000 1.037 189 V CA -0.710 61.609 62.300 0.032 0.000 0.908 189 V CB 1.898 33.746 31.823 0.041 0.000 0.985 189 V HN 0.416 nan 8.190 nan 0.000 0.454 190 L N 5.012 126.229 121.223 -0.010 0.000 2.265 190 L HA 0.797 5.477 4.340 0.566 0.000 0.288 190 L C 0.166 177.093 176.870 0.095 0.000 1.058 190 L CA 0.532 55.417 54.840 0.075 0.000 0.809 190 L CB 0.771 42.822 42.059 -0.014 0.000 1.179 190 L HN 0.852 nan 8.230 nan 0.000 0.429 191 A N 3.989 126.926 122.820 0.195 0.000 2.566 191 A HA 0.660 5.320 4.320 0.566 0.000 0.292 191 A C -1.368 176.314 177.584 0.163 0.000 1.112 191 A CA -0.764 51.331 52.037 0.098 0.000 0.707 191 A CB 1.363 20.320 19.000 -0.072 0.000 1.302 191 A HN 0.514 nan 8.150 nan 0.000 0.409 192 Q N 1.074 120.925 119.800 0.085 0.000 2.296 192 Q HA 0.205 4.885 4.340 0.566 0.000 0.263 192 Q C -0.640 175.449 176.000 0.150 0.000 1.026 192 Q CA 0.066 55.934 55.803 0.108 0.000 0.912 192 Q CB 1.232 29.992 28.738 0.037 0.000 1.198 192 Q HN 0.622 nan 8.270 nan 0.000 0.407 193 L N 4.814 126.200 121.223 0.271 0.000 2.361 193 L HA 0.292 4.972 4.340 0.566 0.000 0.278 193 L C -0.677 176.335 176.870 0.237 0.000 1.113 193 L CA -0.017 54.990 54.840 0.278 0.000 0.849 193 L CB 0.327 42.521 42.059 0.226 0.000 1.155 193 L HN 0.549 nan 8.230 nan 0.000 0.452 194 I N 4.882 125.602 120.570 0.249 0.000 2.418 194 I HA 0.358 4.868 4.170 0.566 0.000 0.287 194 I C -0.325 175.964 176.117 0.287 0.000 1.008 194 I CA -0.212 61.220 61.300 0.220 0.000 1.104 194 I CB 1.977 40.056 38.000 0.132 0.000 1.264 194 I HN 0.518 nan 8.210 nan 0.000 0.438 195 T N 4.916 119.654 114.554 0.306 0.000 3.041 195 T HA 0.250 4.940 4.350 0.566 0.000 0.321 195 T C -0.655 174.204 174.700 0.265 0.000 1.184 195 T CA -0.215 62.059 62.100 0.289 0.000 1.050 195 T CB 1.105 70.130 68.868 0.262 0.000 1.159 195 T HN 0.705 nan 8.240 nan 0.000 0.469 196 Q N 2.142 122.056 119.800 0.191 0.000 2.475 196 Q HA -0.227 4.453 4.340 0.566 0.000 0.280 196 Q C 0.871 176.940 176.000 0.116 0.000 1.234 196 Q CA 1.081 56.972 55.803 0.146 0.000 0.873 196 Q CB -1.881 26.953 28.738 0.159 0.000 1.256 196 Q HN 1.607 nan 8.270 nan 0.000 0.475 197 G N -0.596 108.259 108.800 0.092 0.000 2.160 197 G HA2 -0.292 4.008 3.960 0.566 0.000 0.251 197 G HA3 -0.292 4.008 3.960 0.566 0.000 0.251 197 G C -0.219 174.684 174.900 0.005 0.000 1.008 197 G CA 0.742 45.870 45.100 0.045 0.000 0.724 197 G HN 0.361 nan 8.290 nan 0.000 0.514 198 E N -1.086 119.117 120.200 0.004 0.000 2.317 198 E HA 0.501 5.191 4.350 0.566 0.000 0.270 198 E C -0.474 175.958 176.600 -0.281 0.000 0.885 198 E CA -0.656 55.617 56.400 -0.210 0.000 0.760 198 E CB 1.953 31.423 29.700 -0.384 0.000 1.227 198 E HN 0.334 nan 8.360 nan 0.000 0.434 199 C N 2.713 121.784 119.300 -0.382 0.000 2.295 199 C HA 0.461 5.261 4.460 0.566 0.000 0.331 199 C C -0.133 174.584 174.990 -0.455 0.000 1.280 199 C CA -0.324 58.549 59.018 -0.242 0.000 1.746 199 C CB -1.201 26.463 27.740 -0.128 0.000 2.328 199 C HN 0.732 nan 8.230 nan 0.000 0.521 200 Y N 4.723 124.932 120.300 -0.150 0.000 2.658 200 Y HA 0.422 5.312 4.550 0.566 0.000 0.276 200 Y C 1.429 177.329 175.900 -0.000 0.000 1.167 200 Y CA 0.684 58.641 58.100 -0.239 0.000 1.230 200 Y CB -0.207 37.743 38.460 -0.850 0.000 1.144 200 Y HN 1.204 nan 8.280 nan 0.000 0.529 201 G N 0.124 108.994 108.800 0.117 0.000 2.698 201 G HA2 -0.196 4.104 3.960 0.566 0.000 0.225 201 G HA3 -0.196 4.104 3.960 0.566 0.000 0.225 201 G C -1.124 173.875 174.900 0.165 0.000 1.345 201 G CA -1.202 43.953 45.100 0.092 0.000 0.871 201 G HN -0.047 nan 8.290 nan 0.000 0.540 202 L N 2.006 123.236 121.223 0.011 0.000 2.462 202 L HA 0.411 5.091 4.340 0.566 0.000 0.272 202 L C 0.918 177.684 176.870 -0.173 0.000 1.166 202 L CA 0.673 55.518 54.840 0.007 0.000 0.880 202 L CB -0.052 41.988 42.059 -0.031 0.000 1.142 202 L HN 0.667 nan 8.230 nan 0.000 0.473 203 H N 1.236 120.393 119.070 0.144 0.000 2.928 203 H HA 0.625 5.518 4.556 0.562 0.000 0.371 203 H C -0.680 174.646 175.328 -0.004 0.000 1.186 203 H CA -0.799 55.261 56.048 0.021 0.000 1.134 203 H CB 2.324 32.042 29.762 -0.072 0.000 1.824 203 H HN 0.643 nan 8.280 nan 0.000 0.554 204 A N 2.041 124.779 122.820 -0.137 0.000 2.312 204 A HA 0.681 5.341 4.320 0.566 0.000 0.326 204 A C -1.249 176.081 177.584 -0.424 0.000 1.172 204 A CA -0.349 51.651 52.037 -0.061 0.000 0.821 204 A CB 0.176 19.201 19.000 0.041 0.000 1.166 204 A HN 0.455 nan 8.150 nan 0.000 0.493 205 F N 0.991 120.942 119.950 0.003 0.000 2.569 205 F HA 0.429 5.284 4.527 0.545 0.000 0.312 205 F C -0.112 175.690 175.800 0.004 0.000 1.109 205 F CA -0.934 57.051 58.000 -0.026 0.000 0.919 205 F CB 2.278 41.236 39.000 -0.070 0.000 1.211 205 F HN 0.275 nan 8.300 nan 0.000 0.446 206 V N 3.801 123.787 119.914 0.120 0.000 2.455 206 V HA 0.362 4.822 4.120 0.566 0.000 0.273 206 V C -0.457 175.670 176.094 0.056 0.000 1.045 206 V CA -0.491 61.782 62.300 -0.044 0.000 0.976 206 V CB 1.266 32.764 31.823 -0.543 0.000 0.993 206 V HN 0.561 nan 8.190 nan 0.000 0.475 207 V N 8.239 128.217 119.914 0.107 0.000 2.443 207 V HA 0.603 5.063 4.120 0.566 0.000 0.293 207 V C -2.386 173.756 176.094 0.081 0.000 1.021 207 V CA -2.177 60.221 62.300 0.163 0.000 0.848 207 V CB 2.473 34.397 31.823 0.169 0.000 0.998 207 V HN 0.769 nan 8.190 nan 0.000 0.424 208 P HA 0.250 nan 4.420 nan 0.000 0.271 208 P C 0.552 177.765 177.300 -0.145 0.000 1.216 208 P CA 0.068 63.014 63.100 -0.257 0.000 0.771 208 P CB 1.204 32.832 31.700 -0.121 0.000 0.864 209 I N -0.086 120.327 120.570 -0.262 0.000 4.471 209 I HA 0.359 4.869 4.170 0.566 0.000 0.326 209 I C 0.537 176.518 176.117 -0.225 0.000 1.300 209 I CA -0.146 60.992 61.300 -0.270 0.000 1.237 209 I CB 0.355 38.197 38.000 -0.263 0.000 1.195 209 I HN 0.084 nan 8.210 nan 0.000 0.427 210 R N 2.193 122.568 120.500 -0.208 0.000 2.686 210 R HA 0.397 5.076 4.340 0.566 0.000 0.286 210 R C -0.678 175.580 176.300 -0.071 0.000 0.969 210 R CA -0.649 55.342 56.100 -0.181 0.000 0.898 210 R CB 2.438 32.531 30.300 -0.345 0.000 1.183 210 R HN 0.152 nan 8.270 nan 0.000 0.456 211 E N 3.053 123.240 120.200 -0.022 0.000 2.414 211 E HA 0.029 4.719 4.350 0.566 0.000 0.263 211 E C -0.340 176.311 176.600 0.084 0.000 1.000 211 E CA -0.151 56.272 56.400 0.037 0.000 0.914 211 E CB 0.651 30.374 29.700 0.038 0.000 0.948 211 E HN 0.369 nan 8.360 nan 0.000 0.444 212 I N 3.951 124.583 120.570 0.104 0.000 2.692 212 I HA 0.033 4.543 4.170 0.566 0.000 0.284 212 I C 1.588 177.758 176.117 0.090 0.000 1.159 212 I CA 1.235 62.608 61.300 0.123 0.000 1.423 212 I CB 0.652 38.734 38.000 0.137 0.000 1.380 212 I HN 1.011 nan 8.210 nan 0.000 0.580 213 G N 3.933 112.777 108.800 0.073 0.000 2.640 213 G HA2 -0.384 3.916 3.960 0.566 0.000 0.226 213 G HA3 -0.384 3.916 3.960 0.566 0.000 0.226 213 G C 0.976 175.904 174.900 0.046 0.000 1.222 213 G CA 0.736 45.862 45.100 0.043 0.000 0.729 213 G HN 0.688 nan 8.290 nan 0.000 0.516 214 T N -4.051 110.546 114.554 0.071 0.000 3.015 214 T HA 0.271 4.961 4.350 0.566 0.000 0.250 214 T C 1.162 175.947 174.700 0.142 0.000 1.057 214 T CA 1.418 63.563 62.100 0.074 0.000 1.066 214 T CB -0.167 68.733 68.868 0.053 0.000 0.959 214 T HN 1.332 nan 8.240 nan 0.000 0.488 215 H N 0.449 119.517 119.070 -0.002 0.000 3.211 215 H HA -0.145 4.744 4.556 0.555 0.000 0.240 215 H C 0.260 175.576 175.328 -0.020 0.000 1.148 215 H CA 0.950 56.991 56.048 -0.013 0.000 1.160 215 H CB -0.761 28.991 29.762 -0.015 0.000 1.232 215 H HN 0.533 nan 8.280 nan 0.000 0.321 216 K N 1.758 122.165 120.400 0.012 0.000 2.295 216 K HA 0.195 4.855 4.320 0.566 0.000 0.270 216 K C -2.578 173.971 176.600 -0.085 0.000 1.011 216 K CA -1.133 55.132 56.287 -0.036 0.000 0.953 216 K CB 0.728 33.227 32.500 -0.002 0.000 0.956 216 K HN -0.033 nan 8.250 nan 0.000 0.477 217 P HA -0.022 nan 4.420 nan 0.000 0.271 217 P C -0.782 176.482 177.300 -0.060 0.000 1.216 217 P CA -0.380 62.650 63.100 -0.117 0.000 0.771 217 P CB 0.451 32.084 31.700 -0.112 0.000 0.864 218 L N 5.932 127.122 121.223 -0.055 0.000 2.452 218 L HA 0.295 4.975 4.340 0.566 0.000 0.267 218 L C -1.895 175.014 176.870 0.065 0.000 1.188 218 L CA -2.177 52.685 54.840 0.037 0.000 0.821 218 L CB -0.961 41.173 42.059 0.125 0.000 1.102 218 L HN 0.261 nan 8.230 nan 0.000 0.470 219 P HA 0.184 nan 4.420 nan 0.000 0.265 219 P C 0.642 178.055 177.300 0.188 0.000 1.193 219 P CA 0.937 64.104 63.100 0.111 0.000 0.765 219 P CB 0.550 32.306 31.700 0.093 0.000 0.823 220 G N 2.350 111.221 108.800 0.117 0.000 2.225 220 G HA2 -0.200 4.099 3.960 0.566 0.000 0.254 220 G HA3 -0.200 4.099 3.960 0.566 0.000 0.254 220 G C 0.117 175.026 174.900 0.014 0.000 0.988 220 G CA -0.425 44.757 45.100 0.137 0.000 0.625 220 G HN 0.462 nan 8.290 nan 0.000 0.527 221 I N 1.838 122.358 120.570 -0.083 0.000 2.359 221 I HA 0.494 5.004 4.170 0.566 0.000 0.294 221 I C -0.010 176.047 176.117 -0.100 0.000 0.987 221 I CA -0.025 61.153 61.300 -0.203 0.000 1.225 221 I CB 1.322 39.122 38.000 -0.333 0.000 1.366 221 I HN -0.021 nan 8.210 nan 0.000 0.466 222 T N 6.317 120.832 114.554 -0.066 0.000 2.864 222 T HA 0.564 5.254 4.350 0.566 0.000 0.299 222 T C -0.223 174.494 174.700 0.029 0.000 1.011 222 T CA -0.504 61.605 62.100 0.015 0.000 0.975 222 T CB 1.439 70.355 68.868 0.080 0.000 0.962 222 T HN 0.450 nan 8.240 nan 0.000 0.448 223 V N 0.600 120.459 119.914 -0.091 0.000 2.962 223 V HA 1.122 5.582 4.120 0.566 0.000 0.313 223 V C -0.038 175.688 176.094 -0.614 0.000 1.099 223 V CA -0.715 61.378 62.300 -0.345 0.000 0.971 223 V CB 1.734 33.364 31.823 -0.322 0.000 1.028 223 V HN 1.077 nan 8.190 nan 0.000 0.430 224 G N 1.168 109.212 108.800 -1.261 0.000 2.356 224 G HA2 0.450 4.750 3.960 0.566 0.000 0.294 224 G HA3 0.450 4.750 3.960 0.566 0.000 0.294 224 G C -2.057 172.205 174.900 -1.063 0.000 1.423 224 G CA -0.387 44.072 45.100 -1.067 0.000 0.806 224 G HN 1.094 nan 8.290 nan 0.000 0.527 225 D N -0.712 119.363 120.400 -0.542 0.000 2.345 225 D HA 0.309 5.288 4.640 0.566 0.000 0.247 225 D C 1.969 178.079 176.300 -0.318 0.000 1.108 225 D CA -0.180 53.571 54.000 -0.415 0.000 0.894 225 D CB 0.862 41.485 40.800 -0.295 0.000 1.203 225 D HN 0.493 nan 8.370 nan 0.000 0.430 226 I N 0.285 120.595 120.570 -0.433 0.000 3.564 226 I HA 0.379 4.889 4.170 0.566 0.000 0.294 226 I C 0.905 176.903 176.117 -0.199 0.000 1.289 226 I CA 0.095 61.101 61.300 -0.489 0.000 1.325 226 I CB -0.718 36.651 38.000 -1.051 0.000 1.039 226 I HN 0.474 nan 8.210 nan 0.000 0.474 227 G N 1.875 110.591 108.800 -0.140 0.000 2.479 227 G HA2 -0.061 4.239 3.960 0.566 0.000 0.686 227 G HA3 -0.061 4.239 3.960 0.566 0.000 0.686 227 G C -3.099 171.790 174.900 -0.018 0.000 1.295 227 G CA -0.597 44.477 45.100 -0.044 0.000 0.922 227 G HN 0.166 nan 8.290 nan 0.000 0.582 228 P HA 0.466 nan 4.420 nan 0.000 0.274 228 P C -0.477 176.894 177.300 0.120 0.000 1.231 228 P CA 0.143 63.290 63.100 0.078 0.000 0.790 228 P CB 1.336 33.087 31.700 0.085 0.000 0.951 229 K N 0.804 121.309 120.400 0.174 0.000 2.349 229 K HA 0.351 5.010 4.320 0.566 0.000 0.243 229 K C 1.014 177.800 176.600 0.310 0.000 1.058 229 K CA -0.787 55.647 56.287 0.246 0.000 0.871 229 K CB 0.855 33.536 32.500 0.302 0.000 1.337 229 K HN 0.218 nan 8.250 nan 0.000 0.469 230 F N 0.431 120.457 119.950 0.128 0.000 2.120 230 F HA -0.190 4.676 4.527 0.565 0.000 0.300 230 F C 0.918 176.791 175.800 0.122 0.000 1.095 230 F CA 1.525 59.590 58.000 0.109 0.000 1.249 230 F CB 0.299 39.342 39.000 0.072 0.000 0.995 230 F HN 0.654 nan 8.300 nan 0.000 0.480 231 G N -3.172 105.761 108.800 0.222 0.000 3.137 231 G HA2 0.258 4.557 3.960 0.566 0.000 0.196 231 G HA3 0.258 4.557 3.960 0.566 0.000 0.196 231 G C -0.996 174.070 174.900 0.277 0.000 1.135 231 G CA -0.284 44.892 45.100 0.127 0.000 0.803 231 G HN 0.152 nan 8.290 nan 0.000 0.619 232 Y N 0.205 120.502 120.300 -0.005 0.000 3.491 232 Y HA -0.198 4.689 4.550 0.563 0.000 0.215 232 Y C 1.788 177.709 175.900 0.036 0.000 1.219 232 Y CA 0.686 58.803 58.100 0.027 0.000 1.485 232 Y CB -1.639 36.879 38.460 0.098 0.000 1.450 232 Y HN 0.674 nan 8.280 nan 0.000 0.603 233 E N 0.710 120.964 120.200 0.089 0.000 2.085 233 E HA -0.207 4.483 4.350 0.566 0.000 0.194 233 E C 1.948 178.589 176.600 0.069 0.000 0.994 233 E CA 1.653 58.099 56.400 0.077 0.000 0.801 233 E CB -0.050 29.684 29.700 0.057 0.000 0.743 233 E HN 0.663 nan 8.360 nan 0.000 0.453 234 E N -0.099 120.105 120.200 0.007 0.000 2.511 234 E HA -0.070 4.619 4.350 0.566 0.000 0.196 234 E C 0.261 176.930 176.600 0.116 0.000 1.066 234 E CA 0.135 56.574 56.400 0.065 0.000 0.871 234 E CB -0.189 29.488 29.700 -0.039 0.000 0.863 234 E HN 0.191 nan 8.360 nan 0.000 0.520 235 M N 3.632 123.269 119.600 0.061 0.000 2.180 235 M HA 0.110 4.930 4.480 0.566 0.000 0.350 235 M C -1.084 175.237 176.300 0.035 0.000 1.125 235 M CA -0.821 54.530 55.300 0.086 0.000 1.031 235 M CB 1.369 34.059 32.600 0.150 0.000 1.623 235 M HN -0.118 nan 8.290 nan 0.000 0.451 236 D N 3.288 123.648 120.400 -0.068 0.000 2.619 236 D HA 0.092 5.072 4.640 0.566 0.000 0.224 236 D C -0.982 175.222 176.300 -0.160 0.000 1.133 236 D CA -0.165 53.678 54.000 -0.262 0.000 1.017 236 D CB -0.927 39.549 40.800 -0.539 0.000 1.077 236 D HN 0.600 nan 8.370 nan 0.000 0.503 237 N N 0.376 119.030 118.700 -0.076 0.000 2.454 237 N HA 0.399 5.479 4.740 0.566 0.000 0.260 237 N C 0.443 175.772 175.510 -0.301 0.000 1.218 237 N CA 0.400 53.410 53.050 -0.067 0.000 0.904 237 N CB 1.132 39.672 38.487 0.089 0.000 1.065 237 N HN 0.524 nan 8.380 nan 0.000 0.462 238 G N 0.495 109.099 108.800 -0.327 0.000 3.015 238 G HA2 0.593 4.893 3.960 0.566 0.000 0.281 238 G HA3 0.593 4.893 3.960 0.566 0.000 0.281 238 G C -1.700 172.879 174.900 -0.534 0.000 1.386 238 G CA -0.596 44.197 45.100 -0.510 0.000 0.959 238 G HN 0.540 nan 8.290 nan 0.000 0.522 239 Y N -1.626 118.369 120.300 -0.508 0.000 2.536 239 Y HA 0.838 5.731 4.550 0.572 0.000 0.347 239 Y C -1.277 174.513 175.900 -0.183 0.000 1.000 239 Y CA -2.173 55.701 58.100 -0.376 0.000 1.051 239 Y CB 2.189 40.364 38.460 -0.476 0.000 1.259 239 Y HN 0.540 nan 8.280 nan 0.000 0.468 240 L N 3.446 124.762 121.223 0.155 0.000 2.476 240 L HA 0.554 5.234 4.340 0.566 0.000 0.269 240 L C -1.371 175.562 176.870 0.104 0.000 0.965 240 L CA -0.945 53.933 54.840 0.064 0.000 0.845 240 L CB 1.902 43.934 42.059 -0.045 0.000 1.259 240 L HN 0.866 nan 8.230 nan 0.000 0.403 241 K N 5.774 126.228 120.400 0.090 0.000 2.323 241 K HA 0.658 5.318 4.320 0.566 0.000 0.259 241 K C -1.484 175.109 176.600 -0.012 0.000 0.947 241 K CA -0.596 55.723 56.287 0.053 0.000 0.819 241 K CB 1.320 33.858 32.500 0.063 0.000 1.109 241 K HN 0.785 nan 8.250 nan 0.000 0.429 242 M N 3.469 123.061 119.600 -0.013 0.000 2.125 242 M HA 0.129 4.949 4.480 0.566 0.000 0.321 242 M C -0.847 175.474 176.300 0.034 0.000 0.983 242 M CA -0.748 54.538 55.300 -0.024 0.000 0.934 242 M CB 1.560 34.146 32.600 -0.023 0.000 1.542 242 M HN 0.450 nan 8.290 nan 0.000 0.424 243 D N 4.594 125.027 120.400 0.055 0.000 2.483 243 D HA 0.101 5.080 4.640 0.566 0.000 0.220 243 D C -0.237 176.120 176.300 0.095 0.000 1.173 243 D CA 0.405 54.444 54.000 0.064 0.000 0.964 243 D CB 0.011 40.844 40.800 0.055 0.000 1.046 243 D HN 0.518 nan 8.370 nan 0.000 0.517 244 N N 2.687 121.434 118.700 0.080 0.000 2.686 244 N HA -0.312 4.768 4.740 0.566 0.000 0.261 244 N C -0.871 174.705 175.510 0.111 0.000 1.001 244 N CA 0.504 53.597 53.050 0.072 0.000 0.764 244 N CB -1.450 37.060 38.487 0.038 0.000 0.898 244 N HN 0.566 nan 8.380 nan 0.000 0.544 245 Y N 0.646 120.945 120.300 -0.001 0.000 2.359 245 Y HA 0.184 5.065 4.550 0.552 0.000 0.334 245 Y C 0.976 176.887 175.900 0.019 0.000 1.058 245 Y CA -0.431 57.672 58.100 0.006 0.000 1.244 245 Y CB 0.627 39.087 38.460 0.001 0.000 1.187 245 Y HN 0.057 nan 8.280 nan 0.000 0.510 246 R N 7.105 127.386 120.500 -0.366 0.000 2.428 246 R HA 0.604 5.284 4.340 0.566 0.000 0.294 246 R C -0.992 175.125 176.300 -0.304 0.000 1.000 246 R CA -0.667 55.288 56.100 -0.242 0.000 0.960 246 R CB 1.164 31.357 30.300 -0.180 0.000 1.076 246 R HN 0.768 nan 8.270 nan 0.000 0.475 247 I N -1.265 119.283 120.570 -0.036 0.000 2.994 247 I HA 0.597 5.107 4.170 0.566 0.000 0.306 247 I C -2.796 173.426 176.117 0.176 0.000 1.195 247 I CA -3.398 57.949 61.300 0.078 0.000 1.001 247 I CB 2.526 40.651 38.000 0.208 0.000 1.244 247 I HN 0.289 nan 8.210 nan 0.000 0.437 248 P HA 0.098 nan 4.420 nan 0.000 0.269 248 P C 0.139 177.639 177.300 0.334 0.000 1.217 248 P CA -0.226 62.999 63.100 0.208 0.000 0.783 248 P CB 0.577 32.396 31.700 0.198 0.000 0.898 249 R N 1.491 122.165 120.500 0.291 0.000 2.115 249 R HA -0.151 4.529 4.340 0.566 0.000 0.230 249 R C 0.938 177.478 176.300 0.400 0.000 1.111 249 R CA 1.542 57.882 56.100 0.400 0.000 0.976 249 R CB -0.212 30.249 30.300 0.268 0.000 0.870 249 R HN 0.366 nan 8.270 nan 0.000 0.445 250 E N 0.358 120.719 120.200 0.268 0.000 2.516 250 E HA -0.068 4.622 4.350 0.566 0.000 0.199 250 E C 0.660 177.416 176.600 0.260 0.000 1.069 250 E CA 0.523 57.049 56.400 0.211 0.000 0.876 250 E CB -0.041 29.749 29.700 0.149 0.000 0.843 250 E HN 0.360 nan 8.360 nan 0.000 0.530 251 N N -0.258 118.645 118.700 0.338 0.000 2.412 251 N HA 0.043 5.123 4.740 0.566 0.000 0.184 251 N C 0.203 175.832 175.510 0.200 0.000 1.101 251 N CA 0.152 53.408 53.050 0.343 0.000 0.881 251 N CB 0.082 38.793 38.487 0.373 0.000 0.969 251 N HN 0.240 nan 8.380 nan 0.000 0.459 252 M N 1.140 120.821 119.600 0.136 0.000 2.217 252 M HA 0.161 4.981 4.480 0.566 0.000 0.354 252 M C -0.816 175.375 176.300 -0.181 0.000 1.225 252 M CA -0.313 54.848 55.300 -0.231 0.000 1.137 252 M CB 0.668 33.063 32.600 -0.341 0.000 1.576 252 M HN -0.114 nan 8.290 nan 0.000 0.461 253 L N 6.892 127.951 121.223 -0.273 0.000 2.325 253 L HA 0.197 4.877 4.340 0.566 0.000 0.284 253 L C 0.162 176.929 176.870 -0.170 0.000 1.089 253 L CA 0.182 54.921 54.840 -0.168 0.000 0.836 253 L CB 0.357 42.331 42.059 -0.142 0.000 1.184 253 L HN 0.876 nan 8.230 nan 0.000 0.444 254 M N 3.062 122.572 119.600 -0.150 0.000 2.771 254 M HA 0.100 4.920 4.480 0.566 0.000 0.341 254 M C 1.415 177.590 176.300 -0.209 0.000 1.226 254 M CA 0.007 55.217 55.300 -0.150 0.000 0.955 254 M CB 0.330 32.856 32.600 -0.123 0.000 1.318 254 M HN 0.518 nan 8.290 nan 0.000 0.514 255 K N 0.330 120.539 120.400 -0.318 0.000 2.155 255 K HA -0.112 4.548 4.320 0.566 0.000 0.203 255 K C 0.809 177.051 176.600 -0.597 0.000 1.052 255 K CA 1.735 57.699 56.287 -0.538 0.000 0.948 255 K CB 0.313 32.306 32.500 -0.846 0.000 0.728 255 K HN 0.318 nan 8.250 nan 0.000 0.448 256 Y N -0.821 119.405 120.300 -0.123 0.000 2.558 256 Y HA 0.367 5.256 4.550 0.564 0.000 0.273 256 Y C 0.618 176.462 175.900 -0.093 0.000 1.100 256 Y CA 0.004 58.044 58.100 -0.099 0.000 1.276 256 Y CB 0.613 39.022 38.460 -0.086 0.000 1.196 256 Y HN -0.006 nan 8.280 nan 0.000 0.527 257 A N 0.094 122.944 122.820 0.050 0.000 2.469 257 A HA 0.805 5.465 4.320 0.566 0.000 0.299 257 A C -1.015 176.454 177.584 -0.191 0.000 1.098 257 A CA -0.658 51.326 52.037 -0.089 0.000 0.737 257 A CB 1.508 20.614 19.000 0.178 0.000 1.312 257 A HN 0.200 nan 8.150 nan 0.000 0.414 258 Q N -0.292 119.291 119.800 -0.360 0.000 2.495 258 Q HA 0.699 5.379 4.340 0.566 0.000 0.287 258 Q C -1.616 174.213 176.000 -0.285 0.000 1.078 258 Q CA -1.079 54.568 55.803 -0.260 0.000 0.793 258 Q CB 2.635 31.243 28.738 -0.216 0.000 1.459 258 Q HN 0.402 nan 8.270 nan 0.000 0.422 259 V N 1.811 121.625 119.914 -0.166 0.000 2.419 259 V HA 0.243 4.703 4.120 0.566 0.000 0.287 259 V C -0.315 175.629 176.094 -0.251 0.000 1.017 259 V CA -0.903 61.282 62.300 -0.192 0.000 0.844 259 V CB 1.311 33.084 31.823 -0.083 0.000 1.011 259 V HN 0.568 nan 8.190 nan 0.000 0.429 260 K N 4.747 125.009 120.400 -0.230 0.000 2.336 260 K HA 0.138 4.797 4.320 0.566 0.000 0.262 260 K C -1.598 174.882 176.600 -0.200 0.000 0.992 260 K CA -1.199 54.987 56.287 -0.169 0.000 0.927 260 K CB 0.834 33.264 32.500 -0.118 0.000 0.956 260 K HN 0.244 nan 8.250 nan 0.000 0.495 261 P HA -0.164 nan 4.420 nan 0.000 0.221 261 P C 0.380 177.736 177.300 0.093 0.000 1.145 261 P CA 1.310 64.419 63.100 0.015 0.000 0.795 261 P CB 0.125 31.841 31.700 0.028 0.000 0.775 262 D N -2.280 118.139 120.400 0.030 0.000 2.340 262 D HA 0.093 5.073 4.640 0.566 0.000 0.220 262 D C 1.385 177.750 176.300 0.108 0.000 1.039 262 D CA 0.641 54.686 54.000 0.076 0.000 0.866 262 D CB -0.824 39.994 40.800 0.031 0.000 0.913 262 D HN 0.186 nan 8.370 nan 0.000 0.523 263 G N -0.514 108.274 108.800 -0.019 0.000 2.159 263 G HA2 -0.227 4.073 3.960 0.566 0.000 0.227 263 G HA3 -0.227 4.073 3.960 0.566 0.000 0.227 263 G C 0.209 175.069 174.900 -0.067 0.000 0.986 263 G CA 0.135 45.196 45.100 -0.065 0.000 0.651 263 G HN 0.416 nan 8.290 nan 0.000 0.523 264 T N 0.934 115.442 114.554 -0.077 0.000 2.814 264 T HA 0.420 5.109 4.350 0.566 0.000 0.297 264 T C -0.225 174.413 174.700 -0.103 0.000 0.956 264 T CA -0.033 62.037 62.100 -0.051 0.000 1.123 264 T CB 1.441 70.283 68.868 -0.042 0.000 0.902 264 T HN 0.348 nan 8.240 nan 0.000 0.528 265 Y N 4.702 124.837 120.300 -0.276 0.000 2.336 265 Y HA 0.460 5.348 4.550 0.563 0.000 0.335 265 Y C -0.099 175.644 175.900 -0.261 0.000 1.046 265 Y CA -0.949 56.899 58.100 -0.420 0.000 1.198 265 Y CB 0.524 38.385 38.460 -0.999 0.000 1.182 265 Y HN 0.486 nan 8.280 nan 0.000 0.502 266 V N 4.894 124.369 119.914 -0.732 0.000 2.495 266 V HA 0.587 5.047 4.120 0.566 0.000 0.298 266 V C -0.630 175.096 176.094 -0.613 0.000 1.031 266 V CA -1.155 60.849 62.300 -0.494 0.000 0.871 266 V CB 1.079 32.725 31.823 -0.293 0.000 0.988 266 V HN 0.999 nan 8.190 nan 0.000 0.432 273 L N 2.709 123.916 121.223 -0.027 0.000 2.265 273 L HA 0.791 5.471 4.340 0.566 0.000 0.289 273 L C 0.507 177.336 176.870 -0.068 0.000 1.033 273 L CA 0.342 55.166 54.840 -0.028 0.000 0.814 273 L CB 1.343 43.390 42.059 -0.021 0.000 1.203 273 L HN 1.091 nan 8.230 nan 0.000 0.423 274 T N -0.004 114.525 114.554 -0.043 0.000 2.907 274 T HA 0.367 5.057 4.350 0.566 0.000 0.290 274 T C 1.100 175.774 174.700 -0.044 0.000 1.066 274 T CA -0.403 61.627 62.100 -0.116 0.000 1.012 274 T CB 0.539 69.409 68.868 0.002 0.000 1.184 274 T HN 0.438 nan 8.240 nan 0.000 0.522 275 Y N 0.415 120.741 120.300 0.043 0.000 2.274 275 Y HA 0.025 4.914 4.550 0.565 0.000 0.290 275 Y C 2.784 178.688 175.900 0.006 0.000 1.145 275 Y CA 0.623 58.733 58.100 0.017 0.000 1.203 275 Y CB -0.498 37.969 38.460 0.011 0.000 0.984 275 Y HN 0.890 nan 8.280 nan 0.000 0.533 276 G N 0.268 109.172 108.800 0.173 0.000 2.433 276 G HA2 -0.316 3.984 3.960 0.566 0.000 0.216 276 G HA3 -0.316 3.984 3.960 0.566 0.000 0.216 276 G C 1.760 176.645 174.900 -0.026 0.000 1.186 276 G CA 1.748 46.891 45.100 0.071 0.000 0.779 276 G HN 0.437 nan 8.290 nan 0.000 0.543 277 T N -1.256 113.333 114.554 0.059 0.000 2.915 277 T HA 0.014 4.704 4.350 0.566 0.000 0.269 277 T C 2.337 177.103 174.700 0.110 0.000 1.071 277 T CA 1.125 63.272 62.100 0.078 0.000 1.132 277 T CB -0.163 68.734 68.868 0.048 0.000 0.878 277 T HN 0.032 nan 8.240 nan 0.000 0.479 278 M N 2.128 121.771 119.600 0.072 0.000 2.279 278 M HA 0.008 4.828 4.480 0.566 0.000 0.264 278 M C 2.577 178.834 176.300 -0.071 0.000 1.062 278 M CA 1.066 56.386 55.300 0.034 0.000 1.099 278 M CB -1.167 31.482 32.600 0.081 0.000 1.394 278 M HN 0.473 nan 8.290 nan 0.000 0.426 279 V N -2.911 116.951 119.914 -0.087 0.000 2.759 279 V HA -0.171 4.289 4.120 0.566 0.000 0.256 279 V C 1.921 177.805 176.094 -0.349 0.000 1.080 279 V CA 1.376 63.523 62.300 -0.255 0.000 1.101 279 V CB -1.306 30.323 31.823 -0.322 0.000 0.698 279 V HN 0.207 nan 8.190 nan 0.000 0.477 280 F N 1.241 121.070 119.950 -0.201 0.000 2.512 280 F HA 0.135 4.997 4.527 0.558 0.000 0.296 280 F C 2.319 178.004 175.800 -0.191 0.000 1.110 280 F CA 1.437 59.327 58.000 -0.184 0.000 1.446 280 F CB -0.111 38.782 39.000 -0.179 0.000 1.092 280 F HN 0.202 nan 8.300 nan 0.000 0.554 281 V N -2.012 117.877 119.914 -0.041 0.000 3.129 281 V HA 0.105 4.565 4.120 0.566 0.000 0.259 281 V C 1.312 177.274 176.094 -0.220 0.000 1.116 281 V CA 0.197 62.437 62.300 -0.100 0.000 1.127 281 V CB -0.576 31.215 31.823 -0.053 0.000 0.742 281 V HN 0.021 nan 8.190 nan 0.000 0.474 282 R N 1.515 121.756 120.500 -0.432 0.000 2.623 282 R HA 0.340 5.020 4.340 0.566 0.000 0.271 282 R C 0.004 175.946 176.300 -0.595 0.000 1.043 282 R CA 0.780 56.380 56.100 -0.834 0.000 1.083 282 R CB 0.884 30.654 30.300 -0.884 0.000 0.974 282 R HN 0.585 nan 8.270 nan 0.000 0.436 283 S N 1.811 117.150 115.700 -0.602 0.000 2.570 283 S HA 0.563 5.372 4.470 0.566 0.000 0.286 283 S C -0.614 173.627 174.600 -0.599 0.000 1.099 283 S CA -0.609 57.359 58.200 -0.388 0.000 0.913 283 S CB 0.807 63.950 63.200 -0.095 0.000 1.085 283 S HN 0.471 nan 8.310 nan 0.000 0.480 284 F N 2.323 122.291 119.950 0.030 0.000 2.772 284 F HA 0.414 5.279 4.527 0.564 0.000 0.316 284 F C 1.208 177.042 175.800 0.058 0.000 1.114 284 F CA -0.201 57.825 58.000 0.043 0.000 1.191 284 F CB 0.197 39.206 39.000 0.014 0.000 1.065 284 F HN 0.402 nan 8.300 nan 0.000 0.534 285 L N -0.866 120.453 121.223 0.161 0.000 2.217 285 L HA -0.110 4.570 4.340 0.566 0.000 0.211 285 L C 2.150 179.093 176.870 0.121 0.000 1.107 285 L CA 0.602 55.527 54.840 0.142 0.000 0.783 285 L CB -0.431 41.679 42.059 0.084 0.000 0.919 285 L HN 0.051 nan 8.230 nan 0.000 0.442 286 V N 0.136 120.090 119.914 0.068 0.000 2.358 286 V HA -0.172 4.288 4.120 0.566 0.000 0.246 286 V C 2.612 178.716 176.094 0.017 0.000 1.047 286 V CA 2.000 64.302 62.300 0.004 0.000 1.035 286 V CB -1.058 30.750 31.823 -0.024 0.000 0.658 286 V HN 0.546 nan 8.190 nan 0.000 0.452 287 G N -0.087 108.754 108.800 0.069 0.000 2.422 287 G HA2 -0.301 3.999 3.960 0.566 0.000 0.218 287 G HA3 -0.301 3.999 3.960 0.566 0.000 0.218 287 G C 1.524 176.444 174.900 0.033 0.000 1.146 287 G CA 0.869 45.994 45.100 0.041 0.000 0.769 287 G HN 0.478 nan 8.290 nan 0.000 0.547 288 N N 1.437 120.217 118.700 0.133 0.000 2.120 288 N HA -0.084 4.996 4.740 0.566 0.000 0.188 288 N C 2.502 178.123 175.510 0.185 0.000 1.024 288 N CA 1.429 54.593 53.050 0.190 0.000 0.852 288 N CB -0.299 38.349 38.487 0.268 0.000 1.003 288 N HN 0.243 nan 8.380 nan 0.000 0.424 289 A N 0.855 123.804 122.820 0.216 0.000 1.877 289 A HA 0.043 4.703 4.320 0.566 0.000 0.216 289 A C 2.459 179.969 177.584 -0.124 0.000 1.186 289 A CA 2.022 54.096 52.037 0.062 0.000 0.620 289 A CB -1.093 18.016 19.000 0.181 0.000 0.822 289 A HN 0.418 nan 8.150 nan 0.000 0.443 290 A N -1.098 121.653 122.820 -0.116 0.000 1.865 290 A HA -0.231 4.429 4.320 0.566 0.000 0.217 290 A C 2.159 179.464 177.584 -0.465 0.000 1.191 290 A CA 1.823 53.642 52.037 -0.363 0.000 0.623 290 A CB -0.587 17.941 19.000 -0.787 0.000 0.826 290 A HN 0.509 nan 8.150 nan 0.000 0.444 291 Q N -0.085 119.519 119.800 -0.327 0.000 2.061 291 Q HA -0.124 4.556 4.340 0.566 0.000 0.204 291 Q C 2.505 178.415 176.000 -0.151 0.000 0.984 291 Q CA 1.860 57.595 55.803 -0.112 0.000 0.846 291 Q CB -0.668 28.097 28.738 0.044 0.000 0.902 291 Q HN 0.644 nan 8.270 nan 0.000 0.421 292 S N 1.049 116.615 115.700 -0.223 0.000 2.382 292 S HA -0.055 4.755 4.470 0.566 0.000 0.228 292 S C 1.931 176.327 174.600 -0.339 0.000 1.027 292 S CA 0.548 58.562 58.200 -0.309 0.000 0.991 292 S CB -0.186 62.715 63.200 -0.499 0.000 0.823 292 S HN 0.291 nan 8.310 nan 0.000 0.469 293 L N 0.917 121.930 121.223 -0.350 0.000 2.093 293 L HA -0.096 4.584 4.340 0.566 0.000 0.208 293 L C 2.329 179.069 176.870 -0.218 0.000 1.085 293 L CA 1.028 55.713 54.840 -0.258 0.000 0.755 293 L CB -0.439 41.486 42.059 -0.224 0.000 0.904 293 L HN 0.290 nan 8.230 nan 0.000 0.435 294 S N -0.148 115.368 115.700 -0.307 0.000 2.356 294 S HA -0.210 4.600 4.470 0.566 0.000 0.223 294 S C 1.838 176.307 174.600 -0.219 0.000 1.032 294 S CA 1.335 59.270 58.200 -0.441 0.000 1.005 294 S CB -0.079 62.555 63.200 -0.944 0.000 0.867 294 S HN 0.365 nan 8.310 nan 0.000 0.449 295 K N 1.231 121.383 120.400 -0.414 0.000 2.032 295 K HA -0.072 4.588 4.320 0.566 0.000 0.209 295 K C 2.419 178.861 176.600 -0.264 0.000 1.048 295 K CA 1.275 57.187 56.287 -0.625 0.000 0.927 295 K CB -0.357 31.724 32.500 -0.698 0.000 0.712 295 K HN 0.336 nan 8.250 nan 0.000 0.441 296 A N 1.000 123.709 122.820 -0.186 0.000 1.877 296 A HA -0.197 4.463 4.320 0.566 0.000 0.216 296 A C 2.442 180.016 177.584 -0.016 0.000 1.186 296 A CA 1.594 53.574 52.037 -0.095 0.000 0.620 296 A CB -1.021 17.927 19.000 -0.087 0.000 0.822 296 A HN 0.434 nan 8.150 nan 0.000 0.443 297 C N -1.126 118.187 119.300 0.022 0.000 2.429 297 C HA -0.075 4.725 4.460 0.566 0.000 0.277 297 C C 3.056 178.153 174.990 0.178 0.000 1.262 297 C CA 1.544 60.636 59.018 0.122 0.000 1.733 297 C CB -1.499 26.354 27.740 0.189 0.000 2.010 297 C HN 0.655 nan 8.230 nan 0.000 0.483 298 T N 1.327 116.002 114.554 0.201 0.000 2.708 298 T HA -0.118 4.572 4.350 0.566 0.000 0.266 298 T C 1.632 176.417 174.700 0.142 0.000 1.037 298 T CA 1.488 63.732 62.100 0.240 0.000 1.146 298 T CB -0.255 68.806 68.868 0.322 0.000 0.865 298 T HN 0.483 nan 8.240 nan 0.000 0.435 299 I N 1.155 121.766 120.570 0.068 0.000 2.163 299 I HA -0.163 4.347 4.170 0.566 0.000 0.240 299 I C 2.941 179.118 176.117 0.099 0.000 1.081 299 I CA 1.177 62.504 61.300 0.046 0.000 1.353 299 I CB -0.502 37.481 38.000 -0.028 0.000 1.054 299 I HN 0.189 nan 8.210 nan 0.000 0.407 300 A N 0.962 123.841 122.820 0.099 0.000 1.902 300 A HA -0.161 4.499 4.320 0.566 0.000 0.217 300 A C 2.305 180.001 177.584 0.186 0.000 1.181 300 A CA 1.501 53.626 52.037 0.146 0.000 0.623 300 A CB -0.779 18.285 19.000 0.107 0.000 0.818 300 A HN 0.387 nan 8.150 nan 0.000 0.443 301 I N -1.280 119.396 120.570 0.177 0.000 2.286 301 I HA -0.219 4.291 4.170 0.566 0.000 0.245 301 I C 2.813 179.014 176.117 0.141 0.000 1.104 301 I CA 1.165 62.578 61.300 0.189 0.000 1.397 301 I CB -0.380 37.754 38.000 0.222 0.000 1.072 301 I HN 0.298 nan 8.210 nan 0.000 0.417 302 R N -0.134 120.440 120.500 0.124 0.000 2.073 302 R HA -0.228 4.452 4.340 0.566 0.000 0.234 302 R C 2.437 178.781 176.300 0.074 0.000 1.134 302 R CA 1.823 57.966 56.100 0.072 0.000 0.952 302 R CB -0.616 29.719 30.300 0.058 0.000 0.850 302 R HN 0.284 nan 8.270 nan 0.000 0.433 303 Y N 1.374 121.675 120.300 0.002 0.000 2.165 303 Y HA -0.212 4.678 4.550 0.567 0.000 0.286 303 Y C 2.270 178.184 175.900 0.022 0.000 1.155 303 Y CA 1.536 59.631 58.100 -0.008 0.000 1.164 303 Y CB -0.223 38.238 38.460 0.001 0.000 0.978 303 Y HN -0.061 nan 8.280 nan 0.000 0.513 304 S N -0.273 115.425 115.700 -0.004 0.000 2.447 304 S HA -0.094 4.716 4.470 0.566 0.000 0.233 304 S C 2.032 176.586 174.600 -0.077 0.000 1.006 304 S CA 0.805 58.973 58.200 -0.053 0.000 0.957 304 S CB -0.486 62.754 63.200 0.066 0.000 0.773 304 S HN 0.601 nan 8.310 nan 0.000 0.507 305 A N 0.156 122.943 122.820 -0.054 0.000 2.132 305 A HA 0.235 4.895 4.320 0.566 0.000 0.213 305 A C 1.989 179.516 177.584 -0.096 0.000 1.154 305 A CA 0.391 52.398 52.037 -0.049 0.000 0.753 305 A CB -0.062 18.926 19.000 -0.019 0.000 0.826 305 A HN 0.349 nan 8.150 nan 0.000 0.469 306 V N -0.373 119.443 119.914 -0.164 0.000 2.575 306 V HA 0.071 4.531 4.120 0.566 0.000 0.242 306 V C 1.254 177.224 176.094 -0.207 0.000 1.045 306 V CA 0.737 62.927 62.300 -0.184 0.000 1.065 306 V CB -0.445 31.248 31.823 -0.217 0.000 0.717 306 V HN 0.512 nan 8.190 nan 0.000 0.467 307 R N 2.036 122.299 120.500 -0.395 0.000 2.370 307 R HA 0.195 4.875 4.340 0.566 0.000 0.309 307 R C -0.162 176.086 176.300 -0.088 0.000 1.059 307 R CA 0.424 56.348 56.100 -0.294 0.000 0.981 307 R CB -0.053 29.871 30.300 -0.627 0.000 0.972 307 R HN 0.325 nan 8.270 nan 0.000 0.437 308 R N 3.146 123.657 120.500 0.018 0.000 2.514 308 R HA 0.412 5.092 4.340 0.566 0.000 0.301 308 R C -0.918 175.423 176.300 0.068 0.000 0.962 308 R CA -0.842 55.276 56.100 0.031 0.000 0.882 308 R CB 1.805 32.121 30.300 0.026 0.000 1.143 308 R HN 0.574 nan 8.270 nan 0.000 0.452 309 Q N 0.822 120.685 119.800 0.106 0.000 2.578 309 Q HA 0.337 5.017 4.340 0.566 0.000 0.284 309 Q C -0.950 175.169 176.000 0.199 0.000 0.960 309 Q CA -0.208 55.671 55.803 0.126 0.000 0.809 309 Q CB 1.936 30.745 28.738 0.118 0.000 1.462 309 Q HN 0.688 nan 8.270 nan 0.000 0.392 310 S N 0.526 116.308 115.700 0.137 0.000 2.991 310 S HA -0.237 4.573 4.470 0.566 0.000 0.630 310 S C -0.760 173.961 174.600 0.202 0.000 3.057 310 S CA 1.361 59.654 58.200 0.154 0.000 3.520 310 S CB -0.856 62.427 63.200 0.138 0.000 0.309 310 S HN 0.874 nan 8.310 nan 0.000 1.629 311 E N -0.785 119.569 120.200 0.256 0.000 2.390 311 E HA 0.634 5.324 4.350 0.566 0.000 0.280 311 E C 0.136 176.868 176.600 0.219 0.000 0.992 311 E CA -0.834 55.671 56.400 0.176 0.000 0.790 311 E CB 0.895 30.645 29.700 0.083 0.000 1.248 311 E HN 0.464 nan 8.360 nan 0.000 0.447 312 I N 0.449 121.074 120.570 0.092 0.000 2.685 312 I HA 0.011 4.520 4.170 0.566 0.000 0.251 312 I C 0.636 176.783 176.117 0.049 0.000 1.102 312 I CA 0.460 61.808 61.300 0.081 0.000 1.442 312 I CB 0.209 38.176 38.000 -0.056 0.000 1.194 312 I HN 0.485 nan 8.210 nan 0.000 0.448 313 K N 0.991 121.401 120.400 0.017 0.000 2.413 313 K HA 0.318 4.978 4.320 0.566 0.000 0.257 313 K C 0.144 176.752 176.600 0.012 0.000 0.946 313 K CA -0.674 55.621 56.287 0.013 0.000 0.823 313 K CB 1.929 34.429 32.500 -0.001 0.000 1.109 313 K HN -0.083 nan 8.250 nan 0.000 0.427 314 Q N 1.143 120.952 119.800 0.016 0.000 2.242 314 Q HA -0.225 4.455 4.340 0.566 0.000 0.211 314 Q C 1.782 177.786 176.000 0.006 0.000 0.992 314 Q CA 2.518 58.329 55.803 0.013 0.000 0.889 314 Q CB -0.272 28.472 28.738 0.011 0.000 0.913 314 Q HN 0.907 nan 8.270 nan 0.000 0.422 315 S N -0.664 115.037 115.700 0.003 0.000 2.436 315 S HA 0.000 4.810 4.470 0.566 0.000 0.228 315 S C 1.001 175.599 174.600 -0.004 0.000 1.014 315 S CA 0.738 58.937 58.200 -0.001 0.000 0.950 315 S CB -0.149 63.050 63.200 -0.003 0.000 0.784 315 S HN 0.424 nan 8.310 nan 0.000 0.504 316 E N 2.663 122.859 120.200 -0.006 0.000 2.280 316 E HA 0.664 5.354 4.350 0.566 0.000 0.264 316 E C -2.650 173.944 176.600 -0.010 0.000 1.064 316 E CA -2.515 53.877 56.400 -0.012 0.000 0.900 316 E CB -0.550 29.137 29.700 -0.022 0.000 1.123 316 E HN 0.513 nan 8.360 nan 0.000 0.418 317 P HA 0.160 nan 4.420 nan 0.000 0.276 317 P C -0.606 176.687 177.300 -0.012 0.000 1.244 317 P CA -0.384 62.711 63.100 -0.009 0.000 0.801 317 P CB 0.497 32.191 31.700 -0.010 0.000 1.006 318 E N 2.386 122.586 120.200 0.001 0.000 2.868 318 E HA -0.043 4.647 4.350 0.566 0.000 0.246 318 E C -1.628 174.958 176.600 -0.024 0.000 0.962 318 E CA -0.551 55.854 56.400 0.009 0.000 0.955 318 E CB -0.437 29.280 29.700 0.027 0.000 0.903 318 E HN 0.393 nan 8.360 nan 0.000 0.524 319 P HA 0.035 nan 4.420 nan 0.000 0.279 319 P C -0.712 176.511 177.300 -0.129 0.000 1.276 319 P CA -0.490 62.528 63.100 -0.137 0.000 0.801 319 P CB 0.759 32.303 31.700 -0.260 0.000 1.127 320 Q N 0.079 119.799 119.800 -0.133 0.000 2.364 320 Q HA 0.111 4.790 4.340 0.566 0.000 0.267 320 Q C 1.455 177.376 176.000 -0.130 0.000 0.999 320 Q CA -0.052 55.691 55.803 -0.100 0.000 0.886 320 Q CB 0.321 29.009 28.738 -0.083 0.000 1.243 320 Q HN 0.413 nan 8.270 nan 0.000 0.415 321 I N -0.481 120.079 120.570 -0.017 0.000 2.756 321 I HA -0.165 4.344 4.170 0.566 0.000 0.262 321 I C 1.322 177.492 176.117 0.088 0.000 1.225 321 I CA 0.754 62.145 61.300 0.152 0.000 1.472 321 I CB -0.162 37.970 38.000 0.220 0.000 1.094 321 I HN 0.494 nan 8.210 nan 0.000 0.454 322 L N 1.475 122.691 121.223 -0.011 0.000 2.622 322 L HA -0.015 4.665 4.340 0.566 0.000 0.233 322 L C 1.283 178.113 176.870 -0.068 0.000 1.156 322 L CA 1.486 56.317 54.840 -0.015 0.000 0.866 322 L CB -0.882 41.199 42.059 0.037 0.000 0.980 322 L HN 0.155 nan 8.230 nan 0.000 0.448 323 D N -1.344 118.950 120.400 -0.177 0.000 2.323 323 D HA -0.013 4.967 4.640 0.566 0.000 0.209 323 D C 0.302 176.447 176.300 -0.258 0.000 0.973 323 D CA 0.462 54.319 54.000 -0.240 0.000 0.874 323 D CB 0.032 40.626 40.800 -0.345 0.000 0.930 323 D HN 0.123 nan 8.370 nan 0.000 0.521 324 F N 1.475 121.401 119.950 -0.041 0.000 2.495 324 F HA 0.097 4.964 4.527 0.566 0.000 0.365 324 F C 1.916 177.680 175.800 -0.061 0.000 1.090 324 F CA -0.181 57.794 58.000 -0.042 0.000 1.235 324 F CB 0.721 39.699 39.000 -0.037 0.000 1.119 324 F HN -0.176 nan 8.300 nan 0.000 0.562 325 Q N 1.387 121.277 119.800 0.150 0.000 2.096 325 Q HA -0.204 4.475 4.340 0.566 0.000 0.204 325 Q C 1.987 178.024 176.000 0.062 0.000 0.982 325 Q CA 2.415 58.256 55.803 0.063 0.000 0.850 325 Q CB 0.000 28.765 28.738 0.044 0.000 0.901 325 Q HN 0.932 nan 8.270 nan 0.000 0.422 326 T N -1.731 112.868 114.554 0.074 0.000 2.833 326 T HA -0.207 4.483 4.350 0.566 0.000 0.269 326 T C 1.704 176.447 174.700 0.072 0.000 1.054 326 T CA 1.349 63.485 62.100 0.060 0.000 1.135 326 T CB -0.209 68.661 68.868 0.003 0.000 0.869 326 T HN 0.224 nan 8.240 nan 0.000 0.466 327 Q N 1.405 121.243 119.800 0.063 0.000 2.049 327 Q HA -0.023 4.657 4.340 0.566 0.000 0.198 327 Q C 2.468 178.379 176.000 -0.149 0.000 0.971 327 Q CA 1.598 57.408 55.803 0.011 0.000 0.833 327 Q CB -0.431 28.354 28.738 0.078 0.000 0.896 327 Q HN 0.718 nan 8.270 nan 0.000 0.434 328 Q N -1.443 118.181 119.800 -0.293 0.000 2.170 328 Q HA -0.190 4.490 4.340 0.566 0.000 0.203 328 Q C 1.636 177.388 176.000 -0.414 0.000 0.976 328 Q CA 1.445 56.776 55.803 -0.786 0.000 0.858 328 Q CB -0.224 28.104 28.738 -0.684 0.000 0.907 328 Q HN 0.451 nan 8.270 nan 0.000 0.433 329 Y N 1.348 121.521 120.300 -0.211 0.000 2.314 329 Y HA -0.139 4.751 4.550 0.567 0.000 0.293 329 Y C 1.757 177.623 175.900 -0.057 0.000 1.129 329 Y CA 1.274 59.330 58.100 -0.074 0.000 1.201 329 Y CB 0.259 38.717 38.460 -0.003 0.000 0.999 329 Y HN -0.103 nan 8.280 nan 0.000 0.541 330 K N -0.482 119.927 120.400 0.016 0.000 2.062 330 K HA -0.073 4.587 4.320 0.566 0.000 0.205 330 K C 1.790 178.350 176.600 -0.067 0.000 1.051 330 K CA 1.656 57.933 56.287 -0.016 0.000 0.941 330 K CB -0.076 32.441 32.500 0.029 0.000 0.719 330 K HN 0.326 nan 8.250 nan 0.000 0.440 331 L N -0.937 120.248 121.223 -0.063 0.000 2.316 331 L HA 0.101 4.781 4.340 0.566 0.000 0.207 331 L C 2.113 179.116 176.870 0.220 0.000 1.070 331 L CA 0.390 55.262 54.840 0.053 0.000 0.820 331 L CB -0.276 41.850 42.059 0.111 0.000 0.992 331 L HN 0.109 nan 8.230 nan 0.000 0.466 332 F N 0.893 120.817 119.950 -0.042 0.000 2.234 332 F HA -0.094 4.773 4.527 0.566 0.000 0.299 332 F C -0.238 175.499 175.800 -0.104 0.000 1.087 332 F CA 0.413 58.391 58.000 -0.037 0.000 1.340 332 F CB -1.240 37.753 39.000 -0.011 0.000 1.031 332 F HN 0.154 nan 8.300 nan 0.000 0.500 333 P HA -0.111 nan 4.420 nan 0.000 0.221 333 P C 1.594 178.780 177.300 -0.191 0.000 1.150 333 P CA 1.191 64.079 63.100 -0.354 0.000 0.800 333 P CB 0.016 31.039 31.700 -1.128 0.000 0.787 334 L N -1.348 119.803 121.223 -0.120 0.000 2.179 334 L HA -0.064 4.616 4.340 0.566 0.000 0.208 334 L C 2.353 179.244 176.870 0.035 0.000 1.096 334 L CA 0.857 55.666 54.840 -0.052 0.000 0.779 334 L CB -0.685 41.353 42.059 -0.035 0.000 0.922 334 L HN 0.000 nan 8.230 nan 0.000 0.443 335 L N -0.084 121.214 121.223 0.126 0.000 2.056 335 L HA -0.165 4.515 4.340 0.566 0.000 0.207 335 L C 2.685 179.724 176.870 0.281 0.000 1.078 335 L CA 1.394 56.373 54.840 0.231 0.000 0.749 335 L CB -0.207 41.984 42.059 0.219 0.000 0.901 335 L HN 0.214 nan 8.230 nan 0.000 0.433 336 A N -0.845 122.100 122.820 0.208 0.000 1.969 336 A HA -0.171 4.489 4.320 0.566 0.000 0.218 336 A C 2.183 179.912 177.584 0.243 0.000 1.169 336 A CA 2.088 54.299 52.037 0.290 0.000 0.635 336 A CB -0.898 18.266 19.000 0.274 0.000 0.810 336 A HN 0.497 nan 8.150 nan 0.000 0.445 337 T N 0.234 114.848 114.554 0.101 0.000 2.777 337 T HA 0.023 4.712 4.350 0.566 0.000 0.266 337 T C 2.258 176.643 174.700 -0.525 0.000 1.040 337 T CA 1.401 63.357 62.100 -0.239 0.000 1.141 337 T CB -0.427 68.308 68.868 -0.220 0.000 0.868 337 T HN 0.588 nan 8.240 nan 0.000 0.444 338 A N 0.552 123.239 122.820 -0.222 0.000 1.883 338 A HA -0.138 4.522 4.320 0.566 0.000 0.217 338 A C 2.062 179.594 177.584 -0.087 0.000 1.186 338 A CA 1.600 53.533 52.037 -0.173 0.000 0.624 338 A CB -1.147 17.841 19.000 -0.020 0.000 0.822 338 A HN 0.563 nan 8.150 nan 0.000 0.444 339 Y N -0.227 120.057 120.300 -0.028 0.000 2.181 339 Y HA -0.091 4.800 4.550 0.567 0.000 0.288 339 Y C 2.929 178.460 175.900 -0.616 0.000 1.146 339 Y CA 1.117 59.078 58.100 -0.231 0.000 1.164 339 Y CB -0.398 37.998 38.460 -0.106 0.000 0.982 339 Y HN 0.346 nan 8.280 nan 0.000 0.515 340 A N -0.151 122.381 122.820 -0.480 0.000 1.908 340 A HA -0.195 4.465 4.320 0.566 0.000 0.218 340 A C 2.137 179.648 177.584 -0.122 0.000 1.181 340 A CA 1.511 53.170 52.037 -0.630 0.000 0.627 340 A CB -1.332 17.208 19.000 -0.768 0.000 0.818 340 A HN 0.561 nan 8.150 nan 0.000 0.445 341 F N -1.456 118.330 119.950 -0.273 0.000 2.293 341 F HA -0.179 4.689 4.527 0.567 0.000 0.300 341 F C 2.426 178.084 175.800 -0.237 0.000 1.086 341 F CA 1.055 58.939 58.000 -0.193 0.000 1.375 341 F CB -0.280 38.616 39.000 -0.174 0.000 1.045 341 F HN 0.353 nan 8.300 nan 0.000 0.516 342 H N -0.769 118.195 119.070 -0.177 0.000 2.389 342 H HA -0.113 4.783 4.556 0.567 0.000 0.299 342 H C 1.914 177.107 175.328 -0.224 0.000 1.081 342 H CA 1.984 57.860 56.048 -0.287 0.000 1.345 342 H CB -0.273 29.152 29.762 -0.561 0.000 1.393 342 H HN 0.171 nan 8.280 nan 0.000 0.520 343 F N -1.023 118.954 119.950 0.044 0.000 2.259 343 F HA -0.150 4.717 4.527 0.567 0.000 0.298 343 F C 2.298 178.122 175.800 0.040 0.000 1.088 343 F CA 0.201 58.201 58.000 0.001 0.000 1.358 343 F CB -0.067 38.841 39.000 -0.153 0.000 1.040 343 F HN -0.011 nan 8.300 nan 0.000 0.505 344 V N -0.058 119.959 119.914 0.171 0.000 2.358 344 V HA -0.198 4.262 4.120 0.566 0.000 0.246 344 V C 2.639 178.827 176.094 0.157 0.000 1.047 344 V CA 2.029 64.406 62.300 0.129 0.000 1.035 344 V CB -1.256 30.601 31.823 0.057 0.000 0.658 344 V HN 0.454 nan 8.190 nan 0.000 0.452 345 G N -0.626 108.235 108.800 0.102 0.000 2.432 345 G HA2 -0.291 4.009 3.960 0.566 0.000 0.219 345 G HA3 -0.291 4.009 3.960 0.566 0.000 0.219 345 G C 1.730 176.712 174.900 0.136 0.000 1.135 345 G CA 0.898 46.054 45.100 0.094 0.000 0.767 345 G HN 0.435 nan 8.290 nan 0.000 0.550 346 R N -1.149 119.459 120.500 0.180 0.000 2.119 346 R HA 0.013 4.693 4.340 0.566 0.000 0.222 346 R C 2.174 178.577 176.300 0.172 0.000 1.088 346 R CA 0.762 56.976 56.100 0.190 0.000 0.984 346 R CB -0.410 30.036 30.300 0.243 0.000 0.884 346 R HN 0.445 nan 8.270 nan 0.000 0.447 347 Y N 0.290 120.625 120.300 0.058 0.000 2.181 347 Y HA -0.217 4.672 4.550 0.567 0.000 0.288 347 Y C 1.871 177.732 175.900 -0.065 0.000 1.146 347 Y CA 1.601 59.706 58.100 0.008 0.000 1.164 347 Y CB -0.009 38.453 38.460 0.004 0.000 0.982 347 Y HN -0.002 nan 8.280 nan 0.000 0.515 348 M N 0.755 120.307 119.600 -0.079 0.000 2.117 348 M HA -0.213 4.607 4.480 0.566 0.000 0.262 348 M C 2.229 178.280 176.300 -0.415 0.000 1.065 348 M CA 1.644 56.730 55.300 -0.356 0.000 1.114 348 M CB -1.110 31.368 32.600 -0.204 0.000 1.361 348 M HN 0.306 nan 8.290 nan 0.000 0.408 349 K N 0.471 120.822 120.400 -0.082 0.000 2.026 349 K HA -0.181 4.479 4.320 0.566 0.000 0.208 349 K C 1.812 178.406 176.600 -0.009 0.000 1.048 349 K CA 1.488 57.825 56.287 0.083 0.000 0.929 349 K CB -0.001 32.578 32.500 0.132 0.000 0.713 349 K HN 0.394 nan 8.250 nan 0.000 0.439 350 E N -0.407 119.743 120.200 -0.083 0.000 2.085 350 E HA -0.166 4.523 4.350 0.566 0.000 0.194 350 E C 1.957 178.442 176.600 -0.192 0.000 0.994 350 E CA 1.802 58.138 56.400 -0.106 0.000 0.801 350 E CB -0.090 29.546 29.700 -0.107 0.000 0.743 350 E HN 0.352 nan 8.360 nan 0.000 0.453 351 T N 0.405 114.723 114.554 -0.393 0.000 2.708 351 T HA -0.181 4.509 4.350 0.566 0.000 0.266 351 T C 1.609 176.164 174.700 -0.242 0.000 1.037 351 T CA 1.257 63.103 62.100 -0.422 0.000 1.146 351 T CB -0.507 67.966 68.868 -0.659 0.000 0.865 351 T HN 0.284 nan 8.240 nan 0.000 0.435 352 Y N 0.722 120.941 120.300 -0.134 0.000 2.114 352 Y HA -0.150 4.742 4.550 0.569 0.000 0.282 352 Y C 2.283 178.144 175.900 -0.065 0.000 1.165 352 Y CA 0.376 58.422 58.100 -0.090 0.000 1.148 352 Y CB -0.369 38.032 38.460 -0.098 0.000 0.972 352 Y HN 0.099 nan 8.280 nan 0.000 0.504 353 L N -0.264 121.011 121.223 0.087 0.000 2.141 353 L HA -0.167 4.513 4.340 0.566 0.000 0.209 353 L C 2.372 179.245 176.870 0.005 0.000 1.094 353 L CA 1.520 56.376 54.840 0.027 0.000 0.763 353 L CB -0.747 41.317 42.059 0.008 0.000 0.908 353 L HN 0.091 nan 8.230 nan 0.000 0.437 354 R N -0.935 119.552 120.500 -0.021 0.000 2.090 354 R HA -0.090 4.590 4.340 0.566 0.000 0.228 354 R C 2.176 178.477 176.300 0.001 0.000 1.110 354 R CA 0.925 57.011 56.100 -0.023 0.000 0.973 354 R CB -0.124 30.140 30.300 -0.059 0.000 0.869 354 R HN 0.169 nan 8.270 nan 0.000 0.440 355 I N 1.482 122.056 120.570 0.007 0.000 2.286 355 I HA -0.253 4.257 4.170 0.566 0.000 0.248 355 I C 1.764 177.933 176.117 0.087 0.000 1.115 355 I CA 1.320 62.641 61.300 0.036 0.000 1.392 355 I CB -0.549 37.478 38.000 0.045 0.000 1.065 355 I HN 0.117 nan 8.210 nan 0.000 0.418 356 N N 0.214 118.982 118.700 0.113 0.000 2.166 356 N HA -0.221 4.859 4.740 0.566 0.000 0.186 356 N C 1.895 177.527 175.510 0.203 0.000 1.019 356 N CA 1.077 54.249 53.050 0.204 0.000 0.856 356 N CB -0.224 38.317 38.487 0.091 0.000 0.993 356 N HN 0.350 nan 8.380 nan 0.000 0.426 357 E N 0.509 120.763 120.200 0.090 0.000 2.150 357 E HA 0.008 4.697 4.350 0.566 0.000 0.193 357 E C 1.716 178.365 176.600 0.082 0.000 0.985 357 E CA 1.065 57.510 56.400 0.075 0.000 0.814 357 E CB -0.263 29.456 29.700 0.031 0.000 0.752 357 E HN 0.129 nan 8.360 nan 0.000 0.466 358 S N -0.077 115.663 115.700 0.066 0.000 2.345 358 S HA -0.060 4.750 4.470 0.566 0.000 0.220 358 S C 1.966 176.599 174.600 0.054 0.000 1.031 358 S CA 1.157 59.386 58.200 0.047 0.000 0.996 358 S CB -0.331 62.886 63.200 0.028 0.000 0.882 358 S HN 0.308 nan 8.310 nan 0.000 0.445 359 I N 1.459 122.073 120.570 0.073 0.000 2.194 359 I HA -0.192 4.318 4.170 0.566 0.000 0.246 359 I C 2.550 178.689 176.117 0.036 0.000 1.093 359 I CA 1.261 62.587 61.300 0.042 0.000 1.355 359 I CB -0.727 37.297 38.000 0.041 0.000 1.046 359 I HN 0.384 nan 8.210 nan 0.000 0.413 360 G N -0.391 108.487 108.800 0.130 0.000 2.535 360 G HA2 -0.173 4.126 3.960 0.566 0.000 0.218 360 G HA3 -0.173 4.126 3.960 0.566 0.000 0.218 360 G C 1.431 176.375 174.900 0.074 0.000 1.122 360 G CA 0.345 45.530 45.100 0.142 0.000 0.769 360 G HN 0.310 nan 8.290 nan 0.000 0.549 361 Q N -0.608 119.224 119.800 0.054 0.000 2.247 361 Q HA 0.217 4.897 4.340 0.566 0.000 0.211 361 Q C 1.583 177.594 176.000 0.019 0.000 0.861 361 Q CA 0.465 56.288 55.803 0.034 0.000 0.949 361 Q CB 0.773 29.530 28.738 0.033 0.000 1.115 361 Q HN 0.487 nan 8.270 nan 0.000 0.507 362 G N 1.808 110.615 108.800 0.011 0.000 2.143 362 G HA2 -0.237 4.063 3.960 0.566 0.000 0.249 362 G HA3 -0.237 4.063 3.960 0.566 0.000 0.249 362 G C -0.218 174.683 174.900 0.001 0.000 0.981 362 G CA 0.301 45.400 45.100 -0.001 0.000 0.665 362 G HN 0.321 nan 8.290 nan 0.000 0.528 363 D N 0.305 120.710 120.400 0.007 0.000 2.428 363 D HA 0.514 5.494 4.640 0.566 0.000 0.221 363 D C 1.006 177.307 176.300 0.001 0.000 1.123 363 D CA -0.651 53.353 54.000 0.006 0.000 0.869 363 D CB 0.572 41.379 40.800 0.011 0.000 1.032 363 D HN -0.025 nan 8.370 nan 0.000 0.506 364 L N 2.945 124.164 121.223 -0.006 0.000 2.741 364 L HA 0.104 4.784 4.340 0.566 0.000 0.237 364 L C 2.189 179.045 176.870 -0.023 0.000 1.178 364 L CA 0.121 54.951 54.840 -0.017 0.000 0.973 364 L CB -0.427 41.621 42.059 -0.018 0.000 1.255 364 L HN 0.392 nan 8.230 nan 0.000 0.498 365 S N -1.032 114.662 115.700 -0.010 0.000 2.382 365 S HA -0.114 4.696 4.470 0.566 0.000 0.228 365 S C 1.449 176.045 174.600 -0.007 0.000 1.027 365 S CA 0.960 59.159 58.200 -0.001 0.000 0.991 365 S CB -0.115 63.092 63.200 0.010 0.000 0.823 365 S HN 0.392 nan 8.310 nan 0.000 0.469 366 E N 0.883 121.068 120.200 -0.024 0.000 2.476 366 E HA 0.234 4.924 4.350 0.566 0.000 0.191 366 E C 1.544 178.070 176.600 -0.124 0.000 1.064 366 E CA -0.170 56.205 56.400 -0.043 0.000 0.866 366 E CB -0.074 29.608 29.700 -0.030 0.000 0.952 366 E HN 0.397 nan 8.360 nan 0.000 0.492 367 L N 0.687 121.814 121.223 -0.160 0.000 2.056 367 L HA -0.080 4.600 4.340 0.566 0.000 0.207 367 L C -0.595 175.956 176.870 -0.532 0.000 1.078 367 L CA 1.710 56.346 54.840 -0.341 0.000 0.749 367 L CB -2.016 39.870 42.059 -0.288 0.000 0.901 367 L HN 0.056 nan 8.230 nan 0.000 0.433 368 P HA -0.186 nan 4.420 nan 0.000 0.215 368 P C 1.571 178.537 177.300 -0.557 0.000 1.153 368 P CA 1.247 64.200 63.100 -0.245 0.000 0.853 368 P CB 0.127 31.863 31.700 0.060 0.000 0.788 369 E N -0.734 119.119 120.200 -0.578 0.000 2.107 369 E HA -0.162 4.528 4.350 0.566 0.000 0.191 369 E C 1.860 178.179 176.600 -0.468 0.000 0.982 369 E CA 0.500 56.387 56.400 -0.854 0.000 0.809 369 E CB -0.498 29.030 29.700 -0.285 0.000 0.756 369 E HN -0.011 nan 8.360 nan 0.000 0.459 370 L N 0.871 121.910 121.223 -0.306 0.000 1.989 370 L HA -0.218 4.462 4.340 0.566 0.000 0.211 370 L C 1.949 178.786 176.870 -0.054 0.000 1.071 370 L CA 2.155 56.894 54.840 -0.169 0.000 0.749 370 L CB -0.630 41.347 42.059 -0.136 0.000 0.890 370 L HN 0.253 nan 8.230 nan 0.000 0.431 371 H N -1.160 117.827 119.070 -0.138 0.000 2.421 371 H HA -0.069 4.828 4.556 0.568 0.000 0.298 371 H C 2.086 177.344 175.328 -0.117 0.000 1.087 371 H CA 0.640 56.631 56.048 -0.095 0.000 1.330 371 H CB -0.014 29.704 29.762 -0.074 0.000 1.388 371 H HN 0.569 nan 8.280 nan 0.000 0.526 372 A N 1.003 123.744 122.820 -0.131 0.000 1.898 372 A HA -0.092 4.568 4.320 0.566 0.000 0.214 372 A C 2.210 179.772 177.584 -0.037 0.000 1.183 372 A CA 0.806 52.763 52.037 -0.133 0.000 0.622 372 A CB -0.480 18.265 19.000 -0.425 0.000 0.824 372 A HN 0.270 nan 8.150 nan 0.000 0.444 373 L N -0.154 121.029 121.223 -0.066 0.000 2.083 373 L HA -0.086 4.594 4.340 0.566 0.000 0.209 373 L C 2.416 179.312 176.870 0.043 0.000 1.083 373 L CA 2.582 57.450 54.840 0.048 0.000 0.752 373 L CB -0.939 41.152 42.059 0.052 0.000 0.899 373 L HN 0.359 nan 8.230 nan 0.000 0.433 374 T N -0.458 114.109 114.554 0.022 0.000 2.737 374 T HA -0.120 4.570 4.350 0.566 0.000 0.265 374 T C 1.872 176.591 174.700 0.032 0.000 1.038 374 T CA 1.304 63.424 62.100 0.033 0.000 1.144 374 T CB -0.371 68.540 68.868 0.073 0.000 0.866 374 T HN 0.506 nan 8.240 nan 0.000 0.434 375 A N 1.159 124.000 122.820 0.035 0.000 1.930 375 A HA 0.172 4.832 4.320 0.566 0.000 0.217 375 A C 2.564 180.172 177.584 0.039 0.000 1.175 375 A CA 1.782 53.835 52.037 0.026 0.000 0.627 375 A CB -1.235 17.787 19.000 0.037 0.000 0.815 375 A HN 0.505 nan 8.150 nan 0.000 0.443 376 G N -0.142 108.706 108.800 0.080 0.000 2.414 376 G HA2 -0.131 4.168 3.960 0.566 0.000 0.215 376 G HA3 -0.131 4.168 3.960 0.566 0.000 0.215 376 G C 1.558 176.533 174.900 0.125 0.000 1.188 376 G CA 0.966 46.143 45.100 0.129 0.000 0.783 376 G HN 0.406 nan 8.290 nan 0.000 0.537 377 L N 0.213 121.487 121.223 0.085 0.000 2.046 377 L HA -0.068 4.611 4.340 0.566 0.000 0.208 377 L C 2.900 179.786 176.870 0.026 0.000 1.077 377 L CA 1.216 56.093 54.840 0.062 0.000 0.747 377 L CB -0.359 41.708 42.059 0.015 0.000 0.896 377 L HN 0.147 nan 8.230 nan 0.000 0.432 378 K N 0.961 121.360 120.400 -0.001 0.000 2.032 378 K HA -0.211 4.449 4.320 0.566 0.000 0.209 378 K C 1.993 178.536 176.600 -0.095 0.000 1.048 378 K CA 1.968 58.230 56.287 -0.043 0.000 0.927 378 K CB -0.171 32.303 32.500 -0.042 0.000 0.712 378 K HN 0.281 nan 8.250 nan 0.000 0.441 379 A N 0.293 123.046 122.820 -0.110 0.000 1.897 379 A HA -0.107 4.553 4.320 0.566 0.000 0.215 379 A C 2.165 179.695 177.584 -0.090 0.000 1.181 379 A CA 1.131 52.995 52.037 -0.288 0.000 0.620 379 A CB -0.775 18.029 19.000 -0.326 0.000 0.821 379 A HN 0.404 nan 8.150 nan 0.000 0.443 380 F N 1.934 121.880 119.950 -0.006 0.000 2.075 380 F HA -0.209 4.658 4.527 0.566 0.000 0.297 380 F C 2.820 178.652 175.800 0.054 0.000 1.113 380 F CA 2.584 60.654 58.000 0.117 0.000 1.218 380 F CB -0.605 38.443 39.000 0.079 0.000 0.984 380 F HN 0.348 nan 8.300 nan 0.000 0.472 381 T N -2.723 111.765 114.554 -0.110 0.000 2.777 381 T HA -0.171 4.519 4.350 0.566 0.000 0.266 381 T C 2.044 176.734 174.700 -0.016 0.000 1.040 381 T CA 1.773 63.602 62.100 -0.451 0.000 1.141 381 T CB -1.436 66.980 68.868 -0.753 0.000 0.868 381 T HN 0.450 nan 8.240 nan 0.000 0.444 382 T N -1.723 112.864 114.554 0.055 0.000 2.746 382 T HA -0.123 4.567 4.350 0.566 0.000 0.267 382 T C 1.745 176.635 174.700 0.317 0.000 1.039 382 T CA 0.814 63.057 62.100 0.239 0.000 1.142 382 T CB -0.816 68.023 68.868 -0.049 0.000 0.866 382 T HN 0.408 nan 8.240 nan 0.000 0.444 383 W N 2.176 123.517 121.300 0.068 0.000 2.355 383 W HA 0.016 5.017 4.660 0.568 0.000 0.309 383 W C 2.772 179.325 176.519 0.056 0.000 1.206 383 W CA 1.074 58.450 57.345 0.051 0.000 1.284 383 W CB -1.353 28.104 29.460 -0.006 0.000 1.145 383 W HN 0.317 nan 8.180 nan 0.000 0.502 384 T N 0.440 115.131 114.554 0.229 0.000 2.708 384 T HA -0.128 4.562 4.350 0.566 0.000 0.266 384 T C 2.014 176.837 174.700 0.205 0.000 1.037 384 T CA 2.192 64.382 62.100 0.149 0.000 1.146 384 T CB -0.735 68.196 68.868 0.105 0.000 0.865 384 T HN 0.096 nan 8.240 nan 0.000 0.435 385 A N 1.777 124.760 122.820 0.271 0.000 1.902 385 A HA -0.179 4.481 4.320 0.566 0.000 0.217 385 A C 2.140 179.769 177.584 0.076 0.000 1.181 385 A CA 2.134 54.221 52.037 0.083 0.000 0.623 385 A CB -0.998 17.940 19.000 -0.103 0.000 0.818 385 A HN 0.532 nan 8.150 nan 0.000 0.443 386 N N 0.219 119.111 118.700 0.320 0.000 2.018 386 N HA -0.156 4.924 4.740 0.566 0.000 0.196 386 N C 1.791 177.528 175.510 0.377 0.000 1.043 386 N CA 2.459 55.785 53.050 0.459 0.000 0.856 386 N CB -0.404 38.379 38.487 0.493 0.000 1.042 386 N HN 0.366 nan 8.380 nan 0.000 0.423 387 A N -0.511 122.462 122.820 0.256 0.000 1.933 387 A HA 0.004 4.664 4.320 0.566 0.000 0.218 387 A C 2.316 179.948 177.584 0.079 0.000 1.175 387 A CA 1.863 53.990 52.037 0.150 0.000 0.628 387 A CB -1.461 17.601 19.000 0.103 0.000 0.814 387 A HN 0.498 nan 8.150 nan 0.000 0.444 388 G N -0.012 108.830 108.800 0.070 0.000 2.422 388 G HA2 -0.189 4.111 3.960 0.566 0.000 0.218 388 G HA3 -0.189 4.111 3.960 0.566 0.000 0.218 388 G C 1.504 176.401 174.900 -0.005 0.000 1.146 388 G CA 1.102 46.213 45.100 0.017 0.000 0.769 388 G HN 0.496 nan 8.290 nan 0.000 0.547 389 I N 0.297 120.874 120.570 0.012 0.000 2.226 389 I HA -0.115 4.395 4.170 0.566 0.000 0.245 389 I C 2.711 178.791 176.117 -0.062 0.000 1.100 389 I CA 0.974 62.273 61.300 -0.002 0.000 1.374 389 I CB -0.103 37.961 38.000 0.106 0.000 1.057 389 I HN 0.080 nan 8.210 nan 0.000 0.413 390 E N 0.542 120.654 120.200 -0.148 0.000 2.150 390 E HA -0.172 4.518 4.350 0.566 0.000 0.193 390 E C 2.068 178.602 176.600 -0.111 0.000 0.985 390 E CA 0.816 57.061 56.400 -0.258 0.000 0.814 390 E CB -0.071 29.393 29.700 -0.395 0.000 0.752 390 E HN 0.432 nan 8.360 nan 0.000 0.466 391 E N 0.176 120.344 120.200 -0.054 0.000 2.047 391 E HA -0.136 4.554 4.350 0.566 0.000 0.191 391 E C 2.285 178.879 176.600 -0.009 0.000 0.987 391 E CA 0.567 56.957 56.400 -0.017 0.000 0.799 391 E CB -0.482 29.219 29.700 0.002 0.000 0.752 391 E HN 0.249 nan 8.360 nan 0.000 0.449 392 C N 1.059 120.352 119.300 -0.012 0.000 2.413 392 C HA -0.117 4.683 4.460 0.566 0.000 0.276 392 C C 2.747 177.736 174.990 -0.002 0.000 1.248 392 C CA 0.552 59.572 59.018 0.004 0.000 1.742 392 C CB -0.831 26.907 27.740 -0.004 0.000 2.017 392 C HN 0.374 nan 8.230 nan 0.000 0.481 393 R N 0.750 121.230 120.500 -0.033 0.000 2.070 393 R HA -0.063 4.617 4.340 0.566 0.000 0.233 393 R C 2.111 178.406 176.300 -0.008 0.000 1.137 393 R CA 1.772 57.849 56.100 -0.040 0.000 0.945 393 R CB -0.604 29.650 30.300 -0.076 0.000 0.845 393 R HN 0.517 nan 8.270 nan 0.000 0.430 394 M N -0.074 119.522 119.600 -0.007 0.000 2.374 394 M HA -0.055 4.765 4.480 0.566 0.000 0.264 394 M C 2.225 178.543 176.300 0.030 0.000 1.067 394 M CA 1.393 56.701 55.300 0.013 0.000 1.103 394 M CB -0.189 32.412 32.600 0.002 0.000 1.402 394 M HN 0.172 nan 8.290 nan 0.000 0.444 395 A N -0.794 122.049 122.820 0.039 0.000 2.119 395 A HA -0.105 4.555 4.320 0.566 0.000 0.217 395 A C 1.975 179.631 177.584 0.120 0.000 1.153 395 A CA 0.905 52.981 52.037 0.065 0.000 0.692 395 A CB -0.827 18.211 19.000 0.064 0.000 0.799 395 A HN 0.599 nan 8.150 nan 0.000 0.458 396 C N -0.946 118.424 119.300 0.116 0.000 2.626 396 C HA 0.467 5.267 4.460 0.566 0.000 0.266 396 C C 1.784 176.878 174.990 0.174 0.000 1.317 396 C CA 0.019 59.148 59.018 0.185 0.000 1.716 396 C CB -1.847 25.868 27.740 -0.042 0.000 1.819 396 C HN 1.004 nan 8.230 nan 0.000 0.578 397 G N 0.832 109.692 108.800 0.100 0.000 2.598 397 G HA2 -0.095 4.205 3.960 0.566 0.000 0.244 397 G HA3 -0.095 4.205 3.960 0.566 0.000 0.244 397 G C 0.865 175.775 174.900 0.017 0.000 1.302 397 G CA -0.010 45.121 45.100 0.052 0.000 0.903 397 G HN 0.573 nan 8.290 nan 0.000 0.575 398 G N -1.679 107.095 108.800 -0.043 0.000 2.442 398 G HA2 -0.150 4.149 3.960 0.566 0.000 0.219 398 G HA3 -0.150 4.149 3.960 0.566 0.000 0.219 398 G C 1.360 176.296 174.900 0.060 0.000 1.141 398 G CA 1.790 46.868 45.100 -0.038 0.000 0.763 398 G HN 0.958 nan 8.290 nan 0.000 0.554 399 H N -0.107 118.985 119.070 0.036 0.000 2.489 399 H HA 0.013 4.909 4.556 0.566 0.000 0.293 399 H C 2.782 178.036 175.328 -0.124 0.000 1.066 399 H CA 0.116 56.137 56.048 -0.044 0.000 1.305 399 H CB 0.171 29.866 29.762 -0.113 0.000 1.386 399 H HN 0.423 nan 8.280 nan 0.000 0.551 400 G N -0.091 108.716 108.800 0.012 0.000 2.443 400 G HA2 -0.307 3.993 3.960 0.566 0.000 0.219 400 G HA3 -0.307 3.993 3.960 0.566 0.000 0.219 400 G C 1.339 176.240 174.900 0.001 0.000 1.131 400 G CA 0.350 45.422 45.100 -0.046 0.000 0.775 400 G HN 0.447 nan 8.290 nan 0.000 0.547 401 Y N 1.525 121.791 120.300 -0.056 0.000 2.421 401 Y HA 0.165 5.056 4.550 0.567 0.000 0.292 401 Y C 1.863 177.712 175.900 -0.086 0.000 1.136 401 Y CA 0.462 58.526 58.100 -0.059 0.000 1.255 401 Y CB -0.076 38.371 38.460 -0.022 0.000 0.991 401 Y HN 0.171 nan 8.280 nan 0.000 0.552 402 S N -0.447 115.255 115.700 0.004 0.000 2.580 402 S HA 0.026 4.836 4.470 0.566 0.000 0.274 402 S C 1.005 175.501 174.600 -0.174 0.000 1.329 402 S CA -0.582 57.589 58.200 -0.048 0.000 1.036 402 S CB 0.364 63.590 63.200 0.044 0.000 0.919 402 S HN 0.457 nan 8.310 nan 0.000 0.515 403 H N 2.576 121.652 119.070 0.010 0.000 2.543 403 H HA -0.022 4.874 4.556 0.567 0.000 0.286 403 H C 2.151 177.329 175.328 -0.251 0.000 1.037 403 H CA 1.478 57.527 56.048 0.002 0.000 1.250 403 H CB -0.303 29.611 29.762 0.253 0.000 1.373 403 H HN 0.714 nan 8.280 nan 0.000 0.580 404 S N -0.186 115.159 115.700 -0.592 0.000 2.481 404 S HA -0.110 4.700 4.470 0.566 0.000 0.231 404 S C 2.265 176.558 174.600 -0.512 0.000 0.996 404 S CA 0.687 58.279 58.200 -1.014 0.000 0.942 404 S CB -0.174 62.161 63.200 -1.442 0.000 0.768 404 S HN 0.447 nan 8.310 nan 0.000 0.520 405 S N 1.070 116.571 115.700 -0.331 0.000 2.436 405 S HA 0.331 5.141 4.470 0.566 0.000 0.228 405 S C 1.941 176.433 174.600 -0.181 0.000 1.014 405 S CA 0.836 58.879 58.200 -0.262 0.000 0.950 405 S CB -0.941 62.130 63.200 -0.216 0.000 0.784 405 S HN 1.331 nan 8.310 nan 0.000 0.504 406 G N 1.338 110.063 108.800 -0.126 0.000 2.253 406 G HA2 -0.280 4.020 3.960 0.566 0.000 0.251 406 G HA3 -0.280 4.020 3.960 0.566 0.000 0.251 406 G C 0.742 175.618 174.900 -0.040 0.000 0.998 406 G CA 0.379 45.445 45.100 -0.056 0.000 0.621 406 G HN 0.560 nan 8.290 nan 0.000 0.524 407 I N 1.358 121.889 120.570 -0.064 0.000 2.286 407 I HA -0.049 4.460 4.170 0.566 0.000 0.245 407 I C 0.154 176.262 176.117 -0.014 0.000 1.104 407 I CA 1.361 62.630 61.300 -0.051 0.000 1.397 407 I CB -0.895 37.064 38.000 -0.067 0.000 1.072 407 I HN 0.145 nan 8.210 nan 0.000 0.417 408 P HA -0.164 nan 4.420 nan 0.000 0.216 408 P C 1.180 178.512 177.300 0.053 0.000 1.150 408 P CA 1.514 64.606 63.100 -0.013 0.000 0.837 408 P CB -0.089 31.507 31.700 -0.175 0.000 0.786 409 N N -0.576 118.174 118.700 0.084 0.000 2.171 409 N HA -0.098 4.982 4.740 0.566 0.000 0.184 409 N C 1.604 177.051 175.510 -0.105 0.000 1.021 409 N CA 0.957 53.991 53.050 -0.027 0.000 0.854 409 N CB -0.715 37.740 38.487 -0.053 0.000 0.994 409 N HN -0.005 nan 8.380 nan 0.000 0.426 410 I N -0.478 120.054 120.570 -0.064 0.000 2.163 410 I HA -0.296 4.214 4.170 0.566 0.000 0.243 410 I C 1.889 178.026 176.117 0.034 0.000 1.085 410 I CA 1.168 62.435 61.300 -0.056 0.000 1.347 410 I CB -0.432 37.528 38.000 -0.066 0.000 1.044 410 I HN 0.246 nan 8.210 nan 0.000 0.408 411 Y N 0.801 121.061 120.300 -0.066 0.000 2.145 411 Y HA -0.221 4.669 4.550 0.568 0.000 0.286 411 Y C 2.478 178.334 175.900 -0.073 0.000 1.145 411 Y CA 1.488 59.573 58.100 -0.025 0.000 1.148 411 Y CB -0.484 37.945 38.460 -0.052 0.000 0.981 411 Y HN -0.129 nan 8.280 nan 0.000 0.507 412 V N -0.649 119.119 119.914 -0.243 0.000 2.515 412 V HA -0.267 4.193 4.120 0.566 0.000 0.250 412 V C 2.143 178.110 176.094 -0.213 0.000 1.058 412 V CA 2.521 64.542 62.300 -0.465 0.000 1.064 412 V CB -0.609 30.939 31.823 -0.457 0.000 0.675 412 V HN 0.555 nan 8.190 nan 0.000 0.461 413 T N -0.766 113.721 114.554 -0.111 0.000 2.851 413 T HA -0.095 4.595 4.350 0.566 0.000 0.262 413 T C 1.534 176.273 174.700 0.064 0.000 1.043 413 T CA 1.653 63.752 62.100 -0.003 0.000 1.140 413 T CB -0.221 68.561 68.868 -0.142 0.000 0.872 413 T HN 0.551 nan 8.240 nan 0.000 0.446 414 F N 1.286 121.155 119.950 -0.135 0.000 2.234 414 F HA 0.029 4.897 4.527 0.568 0.000 0.296 414 F C 2.636 178.287 175.800 -0.249 0.000 1.089 414 F CA 1.187 59.105 58.000 -0.137 0.000 1.343 414 F CB -0.607 38.331 39.000 -0.102 0.000 1.040 414 F HN 0.022 nan 8.300 nan 0.000 0.498 415 T N 1.705 116.019 114.554 -0.399 0.000 2.721 415 T HA -0.141 4.549 4.350 0.566 0.000 0.268 415 T C -0.587 173.739 174.700 -0.623 0.000 1.038 415 T CA 1.915 63.706 62.100 -0.514 0.000 1.145 415 T CB -1.244 67.272 68.868 -0.585 0.000 0.858 415 T HN 0.220 nan 8.240 nan 0.000 0.459 416 P HA 0.143 nan 4.420 nan 0.000 0.234 416 P C 1.088 177.504 177.300 -1.473 0.000 1.167 416 P CA 0.804 63.297 63.100 -1.011 0.000 0.763 416 P CB -0.267 30.770 31.700 -1.105 0.000 0.835 417 A N -0.363 121.691 122.820 -1.277 0.000 2.125 417 A HA -0.147 4.513 4.320 0.566 0.000 0.219 417 A C 2.174 179.367 177.584 -0.652 0.000 1.156 417 A CA 1.175 52.625 52.037 -0.979 0.000 0.671 417 A CB -1.658 16.748 19.000 -0.991 0.000 0.794 417 A HN 0.276 nan 8.150 nan 0.000 0.459 418 C N -1.427 117.506 119.300 -0.613 0.000 2.491 418 C HA 0.076 4.876 4.460 0.566 0.000 0.277 418 C C 2.459 177.222 174.990 -0.378 0.000 1.455 418 C CA 1.284 60.037 59.018 -0.441 0.000 1.758 418 C CB -1.334 26.241 27.740 -0.275 0.000 1.745 418 C HN 0.638 nan 8.230 nan 0.000 0.558 419 T N -0.726 113.569 114.554 -0.431 0.000 2.999 419 T HA 0.237 4.927 4.350 0.566 0.000 0.247 419 T C 0.491 175.133 174.700 -0.097 0.000 1.012 419 T CA -0.177 61.751 62.100 -0.286 0.000 1.048 419 T CB -0.028 68.628 68.868 -0.354 0.000 1.020 419 T HN 0.339 nan 8.240 nan 0.000 0.478 420 F N 2.635 122.448 119.950 -0.228 0.000 2.553 420 F HA 0.088 4.959 4.527 0.573 0.000 0.356 420 F C 0.968 176.690 175.800 -0.130 0.000 1.142 420 F CA -0.359 57.539 58.000 -0.169 0.000 1.322 420 F CB 0.068 38.973 39.000 -0.159 0.000 1.126 420 F HN 0.267 nan 8.300 nan 0.000 0.599 421 E N 0.684 120.948 120.200 0.106 0.000 2.328 421 E HA -0.178 4.511 4.350 0.566 0.000 0.233 421 E C 0.144 176.746 176.600 0.003 0.000 1.219 421 E CA 0.407 56.825 56.400 0.031 0.000 0.717 421 E CB -1.863 27.850 29.700 0.021 0.000 1.210 421 E HN 1.058 nan 8.360 nan 0.000 0.381 422 G N 0.272 109.074 108.800 0.005 0.000 3.209 422 G HA2 -0.147 4.153 3.960 0.566 0.000 0.686 422 G HA3 -0.147 4.153 3.960 0.566 0.000 0.686 422 G C -0.456 174.408 174.900 -0.061 0.000 1.065 422 G CA -0.608 44.482 45.100 -0.016 0.000 0.812 422 G HN 0.096 nan 8.290 nan 0.000 0.573 423 E N 1.425 121.596 120.200 -0.049 0.000 2.502 423 E HA -0.019 4.671 4.350 0.566 0.000 0.261 423 E C 1.609 178.123 176.600 -0.142 0.000 0.974 423 E CA -0.184 56.168 56.400 -0.080 0.000 0.936 423 E CB 0.430 30.119 29.700 -0.017 0.000 0.926 423 E HN 0.494 nan 8.360 nan 0.000 0.459 424 N N 1.803 120.326 118.700 -0.296 0.000 2.094 424 N HA -0.138 4.942 4.740 0.566 0.000 0.191 424 N C 1.524 176.829 175.510 -0.343 0.000 1.023 424 N CA 1.542 54.240 53.050 -0.585 0.000 0.857 424 N CB -0.224 37.378 38.487 -1.474 0.000 1.013 424 N HN 0.379 nan 8.380 nan 0.000 0.426 425 T N 0.480 115.016 114.554 -0.030 0.000 2.746 425 T HA -0.038 4.652 4.350 0.566 0.000 0.267 425 T C 2.100 176.870 174.700 0.118 0.000 1.039 425 T CA 0.844 63.058 62.100 0.191 0.000 1.142 425 T CB -0.296 68.725 68.868 0.255 0.000 0.866 425 T HN -0.021 nan 8.240 nan 0.000 0.444 426 V N 1.716 121.675 119.914 0.074 0.000 2.343 426 V HA -0.169 4.291 4.120 0.566 0.000 0.247 426 V C 2.586 178.730 176.094 0.082 0.000 1.051 426 V CA 1.325 63.679 62.300 0.090 0.000 1.036 426 V CB -0.541 31.324 31.823 0.069 0.000 0.654 426 V HN 0.428 nan 8.190 nan 0.000 0.451 427 M N -1.380 118.234 119.600 0.023 0.000 2.117 427 M HA -0.124 4.696 4.480 0.566 0.000 0.262 427 M C 2.206 178.551 176.300 0.075 0.000 1.065 427 M CA 1.714 57.028 55.300 0.023 0.000 1.114 427 M CB -0.982 31.591 32.600 -0.045 0.000 1.361 427 M HN 0.278 nan 8.290 nan 0.000 0.408 428 M N -0.460 119.190 119.600 0.084 0.000 2.159 428 M HA -0.134 4.686 4.480 0.566 0.000 0.263 428 M C 2.086 178.500 176.300 0.190 0.000 1.063 428 M CA 1.269 56.664 55.300 0.159 0.000 1.110 428 M CB -1.286 31.448 32.600 0.222 0.000 1.374 428 M HN 0.179 nan 8.290 nan 0.000 0.411 429 L N 0.161 121.505 121.223 0.202 0.000 2.201 429 L HA -0.138 4.542 4.340 0.566 0.000 0.212 429 L C 2.473 179.554 176.870 0.351 0.000 1.105 429 L CA 1.609 56.627 54.840 0.297 0.000 0.775 429 L CB -1.141 41.118 42.059 0.333 0.000 0.913 429 L HN 0.435 nan 8.230 nan 0.000 0.440 430 Q N -1.268 118.669 119.800 0.230 0.000 2.083 430 Q HA -0.165 4.515 4.340 0.566 0.000 0.198 430 Q C 1.826 177.955 176.000 0.214 0.000 0.969 430 Q CA 1.927 57.842 55.803 0.187 0.000 0.838 430 Q CB 0.124 28.933 28.738 0.118 0.000 0.900 430 Q HN 0.410 nan 8.270 nan 0.000 0.436 431 T N 0.526 115.203 114.554 0.203 0.000 2.833 431 T HA -0.083 4.607 4.350 0.566 0.000 0.269 431 T C 1.698 176.562 174.700 0.273 0.000 1.054 431 T CA 1.074 63.306 62.100 0.220 0.000 1.135 431 T CB -0.226 68.762 68.868 0.199 0.000 0.869 431 T HN 0.435 nan 8.240 nan 0.000 0.466 432 A N 1.616 124.602 122.820 0.277 0.000 1.968 432 A HA -0.032 4.628 4.320 0.566 0.000 0.217 432 A C 2.393 180.214 177.584 0.395 0.000 1.169 432 A CA 0.815 53.021 52.037 0.283 0.000 0.638 432 A CB -0.311 18.821 19.000 0.220 0.000 0.812 432 A HN 0.170 nan 8.150 nan 0.000 0.446 433 R N -1.362 119.401 120.500 0.438 0.000 2.091 433 R HA -0.144 4.535 4.340 0.566 0.000 0.238 433 R C 1.914 178.344 176.300 0.216 0.000 1.136 433 R CA 1.678 57.947 56.100 0.282 0.000 0.959 433 R CB -0.964 29.387 30.300 0.084 0.000 0.856 433 R HN 0.651 nan 8.270 nan 0.000 0.437 434 F N 1.348 121.355 119.950 0.096 0.000 2.146 434 F HA -0.110 4.757 4.527 0.567 0.000 0.298 434 F C 2.066 177.892 175.800 0.043 0.000 1.096 434 F CA 1.191 59.222 58.000 0.052 0.000 1.275 434 F CB -0.287 38.733 39.000 0.034 0.000 1.008 434 F HN -0.104 nan 8.300 nan 0.000 0.480 435 L N -0.552 120.673 121.223 0.004 0.000 2.093 435 L HA -0.240 4.440 4.340 0.566 0.000 0.208 435 L C 2.490 179.317 176.870 -0.072 0.000 1.085 435 L CA 0.867 55.636 54.840 -0.118 0.000 0.755 435 L CB -0.632 41.441 42.059 0.023 0.000 0.904 435 L HN 0.201 nan 8.230 nan 0.000 0.435 436 M N -0.123 119.502 119.600 0.042 0.000 2.132 436 M HA -0.200 4.620 4.480 0.566 0.000 0.263 436 M C 2.279 178.626 176.300 0.078 0.000 1.065 436 M CA 1.600 56.961 55.300 0.101 0.000 1.122 436 M CB -0.938 31.788 32.600 0.210 0.000 1.365 436 M HN 0.186 nan 8.290 nan 0.000 0.411 437 K N 0.554 120.945 120.400 -0.014 0.000 2.032 437 K HA -0.164 4.496 4.320 0.566 0.000 0.209 437 K C 1.793 178.312 176.600 -0.134 0.000 1.048 437 K CA 1.336 57.585 56.287 -0.062 0.000 0.927 437 K CB -0.003 32.452 32.500 -0.075 0.000 0.712 437 K HN 0.141 nan 8.250 nan 0.000 0.441 438 I N 0.792 121.180 120.570 -0.303 0.000 2.315 438 I HA -0.235 4.275 4.170 0.566 0.000 0.248 438 I C 2.323 178.358 176.117 -0.137 0.000 1.117 438 I CA 1.203 62.321 61.300 -0.304 0.000 1.404 438 I CB -1.185 36.504 38.000 -0.518 0.000 1.071 438 I HN 0.278 nan 8.210 nan 0.000 0.419 439 Y N 2.486 122.679 120.300 -0.179 0.000 2.145 439 Y HA -0.267 4.623 4.550 0.566 0.000 0.286 439 Y C 2.278 178.137 175.900 -0.069 0.000 1.145 439 Y CA 1.823 59.862 58.100 -0.103 0.000 1.148 439 Y CB -0.231 38.193 38.460 -0.060 0.000 0.981 439 Y HN 0.176 nan 8.280 nan 0.000 0.507 440 D N 0.068 120.485 120.400 0.027 0.000 2.123 440 D HA -0.207 4.773 4.640 0.566 0.000 0.196 440 D C 2.081 178.304 176.300 -0.128 0.000 0.992 440 D CA 1.615 55.585 54.000 -0.050 0.000 0.833 440 D CB -0.377 40.448 40.800 0.042 0.000 0.954 440 D HN 0.556 nan 8.370 nan 0.000 0.455 441 Q N 0.160 119.894 119.800 -0.110 0.000 2.061 441 Q HA -0.110 4.570 4.340 0.566 0.000 0.204 441 Q C 2.406 178.327 176.000 -0.132 0.000 0.984 441 Q CA 0.976 56.716 55.803 -0.105 0.000 0.846 441 Q CB -0.005 28.675 28.738 -0.096 0.000 0.902 441 Q HN 0.130 nan 8.270 nan 0.000 0.421 442 V N 0.574 120.382 119.914 -0.175 0.000 2.490 442 V HA -0.264 4.195 4.120 0.566 0.000 0.250 442 V C 2.170 178.140 176.094 -0.208 0.000 1.061 442 V CA 1.767 63.960 62.300 -0.178 0.000 1.064 442 V CB -0.455 31.250 31.823 -0.196 0.000 0.670 442 V HN 0.214 nan 8.190 nan 0.000 0.461 443 R N 1.281 121.602 120.500 -0.298 0.000 2.096 443 R HA -0.104 4.575 4.340 0.566 0.000 0.235 443 R C 2.277 178.488 176.300 -0.148 0.000 1.127 443 R CA 1.559 57.493 56.100 -0.277 0.000 0.968 443 R CB -0.477 29.619 30.300 -0.340 0.000 0.861 443 R HN 0.677 nan 8.270 nan 0.000 0.440 444 S N -1.824 113.805 115.700 -0.119 0.000 2.634 444 S HA 0.241 5.051 4.470 0.566 0.000 0.221 444 S C 1.034 175.597 174.600 -0.062 0.000 0.952 444 S CA 0.161 58.316 58.200 -0.074 0.000 0.930 444 S CB 0.590 63.755 63.200 -0.058 0.000 0.780 444 S HN 0.484 nan 8.310 nan 0.000 0.498 445 G N 0.922 109.679 108.800 -0.072 0.000 2.144 445 G HA2 -0.223 4.077 3.960 0.566 0.000 0.218 445 G HA3 -0.223 4.077 3.960 0.566 0.000 0.218 445 G C -0.200 174.671 174.900 -0.048 0.000 0.988 445 G CA 0.012 45.080 45.100 -0.054 0.000 0.659 445 G HN 0.701 nan 8.290 nan 0.000 0.522 446 K N 0.554 120.920 120.400 -0.058 0.000 2.159 446 K HA 0.693 5.353 4.320 0.566 0.000 0.266 446 K C 0.289 176.860 176.600 -0.050 0.000 0.975 446 K CA -0.927 55.331 56.287 -0.047 0.000 0.865 446 K CB 0.594 33.066 32.500 -0.047 0.000 1.087 446 K HN 0.123 nan 8.250 nan 0.000 0.446 447 L N 4.586 125.789 121.223 -0.034 0.000 2.319 447 L HA 0.247 4.927 4.340 0.566 0.000 0.280 447 L C 0.040 176.894 176.870 -0.027 0.000 1.099 447 L CA -0.593 54.230 54.840 -0.028 0.000 0.828 447 L CB 1.416 43.468 42.059 -0.013 0.000 1.150 447 L HN 0.440 nan 8.230 nan 0.000 0.442 448 V N 3.807 123.700 119.914 -0.036 0.000 2.834 448 V HA 0.848 5.307 4.120 0.566 0.000 0.313 448 V C 0.385 176.476 176.094 -0.005 0.000 1.060 448 V CA -0.092 62.189 62.300 -0.032 0.000 0.989 448 V CB 1.906 33.686 31.823 -0.072 0.000 1.041 448 V HN 0.815 nan 8.190 nan 0.000 0.459 449 G N 1.651 110.464 108.800 0.021 0.000 2.788 449 G HA2 0.799 5.099 3.960 0.566 0.000 0.293 449 G HA3 0.799 5.099 3.960 0.566 0.000 0.293 449 G C -0.019 174.930 174.900 0.081 0.000 1.305 449 G CA -0.124 45.005 45.100 0.048 0.000 1.005 449 G HN 1.880 nan 8.290 nan 0.000 0.496 450 G N -1.290 107.573 108.800 0.104 0.000 2.582 450 G HA2 -0.068 4.232 3.960 0.566 0.000 0.222 450 G HA3 -0.068 4.232 3.960 0.566 0.000 0.222 450 G C 0.893 175.907 174.900 0.190 0.000 1.311 450 G CA 0.161 45.347 45.100 0.143 0.000 0.915 450 G HN 0.655 nan 8.290 nan 0.000 0.528 451 M N -0.501 119.248 119.600 0.250 0.000 2.374 451 M HA 0.012 4.832 4.480 0.566 0.000 0.264 451 M C 2.440 179.029 176.300 0.482 0.000 1.067 451 M CA 1.436 56.942 55.300 0.343 0.000 1.103 451 M CB -0.539 32.254 32.600 0.322 0.000 1.402 451 M HN 0.575 nan 8.290 nan 0.000 0.444 452 V N 0.998 121.081 119.914 0.281 0.000 3.499 452 V HA -0.019 4.441 4.120 0.566 0.000 0.308 452 V C 1.845 177.745 176.094 -0.323 0.000 1.319 452 V CA 0.852 63.087 62.300 -0.108 0.000 1.194 452 V CB -0.664 31.123 31.823 -0.060 0.000 1.072 452 V HN 0.543 nan 8.190 nan 0.000 0.426 453 S N -0.084 115.586 115.700 -0.050 0.000 2.515 453 S HA -0.207 4.603 4.470 0.566 0.000 0.231 453 S C 1.792 176.376 174.600 -0.028 0.000 0.987 453 S CA 1.213 59.397 58.200 -0.027 0.000 0.936 453 S CB -0.688 62.555 63.200 0.072 0.000 0.766 453 S HN 0.850 nan 8.310 nan 0.000 0.528 454 Y N 1.226 121.596 120.300 0.116 0.000 2.403 454 Y HA 0.198 5.088 4.550 0.566 0.000 0.291 454 Y C 1.755 177.686 175.900 0.051 0.000 1.143 454 Y CA 0.073 58.210 58.100 0.063 0.000 1.257 454 Y CB -0.905 37.562 38.460 0.013 0.000 0.984 454 Y HN 0.187 nan 8.280 nan 0.000 0.550 455 L N 0.754 121.820 121.223 -0.261 0.000 2.191 455 L HA -0.205 4.475 4.340 0.566 0.000 0.212 455 L C 1.770 178.630 176.870 -0.017 0.000 1.103 455 L CA 1.104 55.892 54.840 -0.088 0.000 0.769 455 L CB -0.579 41.369 42.059 -0.186 0.000 0.908 455 L HN 0.329 nan 8.230 nan 0.000 0.438 456 N N 0.046 118.729 118.700 -0.028 0.000 2.443 456 N HA -0.148 4.932 4.740 0.566 0.000 0.184 456 N C 0.773 176.292 175.510 0.016 0.000 1.037 456 N CA 1.029 54.071 53.050 -0.014 0.000 0.896 456 N CB -0.150 38.334 38.487 -0.005 0.000 0.959 456 N HN 0.375 nan 8.380 nan 0.000 0.442 457 D N 0.135 120.568 120.400 0.054 0.000 2.340 457 D HA 0.133 5.113 4.640 0.566 0.000 0.217 457 D C 0.661 176.999 176.300 0.062 0.000 1.081 457 D CA -0.036 53.999 54.000 0.059 0.000 0.842 457 D CB 0.579 41.424 40.800 0.075 0.000 0.934 457 D HN 0.199 nan 8.370 nan 0.000 0.511 458 L N 1.864 123.128 121.223 0.069 0.000 2.456 458 L HA 0.270 4.950 4.340 0.566 0.000 0.257 458 L C -1.527 175.369 176.870 0.043 0.000 1.162 458 L CA -1.447 53.442 54.840 0.081 0.000 0.808 458 L CB 0.199 42.339 42.059 0.136 0.000 1.136 458 L HN -0.115 nan 8.230 nan 0.000 0.466 459 P HA 0.165 nan 4.420 nan 0.000 0.276 459 P C -0.509 176.821 177.300 0.050 0.000 1.252 459 P CA -0.471 62.669 63.100 0.068 0.000 0.802 459 P CB 0.907 32.642 31.700 0.058 0.000 1.035 476 D N 3.428 123.833 120.400 0.008 0.000 2.374 476 D HA 0.266 5.246 4.640 0.566 0.000 0.240 476 D C 0.624 176.923 176.300 -0.001 0.000 1.229 476 D CA 0.037 54.039 54.000 0.003 0.000 0.895 476 D CB 1.523 42.326 40.800 0.005 0.000 1.046 476 D HN 0.597 nan 8.370 nan 0.000 0.498 477 I N 4.154 124.717 120.570 -0.011 0.000 3.456 477 I HA -0.076 4.434 4.170 0.566 0.000 0.291 477 I C 1.343 177.451 176.117 -0.016 0.000 1.307 477 I CA 0.376 61.663 61.300 -0.022 0.000 1.333 477 I CB -0.245 37.731 38.000 -0.041 0.000 1.032 477 I HN 0.330 nan 8.210 nan 0.000 0.506 478 N N -0.758 117.937 118.700 -0.009 0.000 2.415 478 N HA 0.081 5.161 4.740 0.566 0.000 0.174 478 N C 0.786 176.291 175.510 -0.009 0.000 1.048 478 N CA 0.528 53.573 53.050 -0.009 0.000 0.895 478 N CB 0.163 38.646 38.487 -0.007 0.000 1.036 478 N HN 0.369 nan 8.380 nan 0.000 0.449 479 S N -0.173 115.524 115.700 -0.005 0.000 2.690 479 S HA 0.393 5.203 4.470 0.566 0.000 0.291 479 S C 1.290 175.888 174.600 -0.004 0.000 1.138 479 S CA -0.767 57.429 58.200 -0.007 0.000 1.013 479 S CB 1.685 64.884 63.200 -0.002 0.000 1.053 479 S HN 0.009 nan 8.310 nan 0.000 0.539 480 L N 0.489 121.703 121.223 -0.015 0.000 2.083 480 L HA -0.100 4.580 4.340 0.566 0.000 0.209 480 L C 2.451 179.328 176.870 0.012 0.000 1.083 480 L CA 1.472 56.301 54.840 -0.017 0.000 0.752 480 L CB -0.510 41.522 42.059 -0.044 0.000 0.899 480 L HN 0.739 nan 8.230 nan 0.000 0.433 481 E N -0.167 120.043 120.200 0.016 0.000 2.072 481 E HA -0.138 4.551 4.350 0.566 0.000 0.191 481 E C 2.110 178.740 176.600 0.049 0.000 0.985 481 E CA 1.218 57.639 56.400 0.036 0.000 0.801 481 E CB -0.519 29.198 29.700 0.028 0.000 0.750 481 E HN 0.428 nan 8.360 nan 0.000 0.452 482 G N 0.169 108.990 108.800 0.036 0.000 2.443 482 G HA2 -0.190 4.110 3.960 0.566 0.000 0.219 482 G HA3 -0.190 4.110 3.960 0.566 0.000 0.219 482 G C 1.471 176.405 174.900 0.056 0.000 1.131 482 G CA 0.425 45.547 45.100 0.038 0.000 0.775 482 G HN 0.156 nan 8.290 nan 0.000 0.547 483 L N 0.182 121.444 121.223 0.064 0.000 2.131 483 L HA -0.008 4.672 4.340 0.566 0.000 0.206 483 L C 3.102 180.104 176.870 0.221 0.000 1.087 483 L CA 1.162 56.069 54.840 0.112 0.000 0.767 483 L CB -0.479 41.627 42.059 0.078 0.000 0.917 483 L HN 0.138 nan 8.230 nan 0.000 0.441 484 T N -0.926 113.726 114.554 0.162 0.000 2.737 484 T HA -0.206 4.484 4.350 0.566 0.000 0.265 484 T C 1.733 176.574 174.700 0.236 0.000 1.038 484 T CA 1.465 63.698 62.100 0.221 0.000 1.144 484 T CB -0.051 68.916 68.868 0.165 0.000 0.866 484 T HN 0.211 nan 8.240 nan 0.000 0.434 485 E N 1.603 121.886 120.200 0.138 0.000 2.085 485 E HA -0.086 4.604 4.350 0.566 0.000 0.194 485 E C 2.179 178.805 176.600 0.042 0.000 0.994 485 E CA 1.429 57.868 56.400 0.065 0.000 0.801 485 E CB -0.541 29.189 29.700 0.051 0.000 0.743 485 E HN 0.436 nan 8.360 nan 0.000 0.453 486 A N -0.648 122.236 122.820 0.107 0.000 1.933 486 A HA -0.175 4.485 4.320 0.566 0.000 0.218 486 A C 2.066 179.754 177.584 0.174 0.000 1.175 486 A CA 1.570 53.684 52.037 0.129 0.000 0.628 486 A CB -0.945 18.110 19.000 0.091 0.000 0.814 486 A HN 0.449 nan 8.150 nan 0.000 0.444 487 Y N -0.112 120.264 120.300 0.127 0.000 2.200 487 Y HA -0.148 4.741 4.550 0.566 0.000 0.290 487 Y C 2.447 178.169 175.900 -0.297 0.000 1.137 487 Y CA 1.918 60.072 58.100 0.091 0.000 1.163 487 Y CB -0.132 38.438 38.460 0.185 0.000 0.988 487 Y HN 0.337 nan 8.280 nan 0.000 0.518 488 K N 0.519 120.650 120.400 -0.449 0.000 2.009 488 K HA -0.196 4.464 4.320 0.566 0.000 0.210 488 K C 1.852 178.024 176.600 -0.713 0.000 1.049 488 K CA 1.729 57.317 56.287 -1.165 0.000 0.929 488 K CB -0.465 31.520 32.500 -0.858 0.000 0.714 488 K HN 0.302 nan 8.250 nan 0.000 0.440 489 L N 0.637 121.650 121.223 -0.350 0.000 2.131 489 L HA -0.135 4.544 4.340 0.566 0.000 0.210 489 L C 2.883 179.596 176.870 -0.262 0.000 1.092 489 L CA 0.853 55.556 54.840 -0.228 0.000 0.759 489 L CB -0.477 41.518 42.059 -0.107 0.000 0.903 489 L HN 0.263 nan 8.230 nan 0.000 0.435 490 R N 0.683 120.983 120.500 -0.334 0.000 2.090 490 R HA -0.090 4.590 4.340 0.566 0.000 0.228 490 R C 2.204 178.304 176.300 -0.333 0.000 1.110 490 R CA 1.400 57.223 56.100 -0.462 0.000 0.973 490 R CB -0.169 29.599 30.300 -0.886 0.000 0.869 490 R HN 0.319 nan 8.270 nan 0.000 0.440 491 A N 0.865 123.483 122.820 -0.337 0.000 1.855 491 A HA -0.067 4.592 4.320 0.566 0.000 0.215 491 A C 2.401 179.912 177.584 -0.121 0.000 1.191 491 A CA 1.764 53.667 52.037 -0.223 0.000 0.613 491 A CB -0.833 17.945 19.000 -0.370 0.000 0.829 491 A HN 0.436 nan 8.150 nan 0.000 0.442 492 A N -0.007 122.670 122.820 -0.239 0.000 1.892 492 A HA -0.247 4.413 4.320 0.566 0.000 0.218 492 A C 2.193 179.808 177.584 0.052 0.000 1.188 492 A CA 2.522 54.627 52.037 0.114 0.000 0.631 492 A CB -0.527 18.541 19.000 0.112 0.000 0.822 492 A HN 0.512 nan 8.150 nan 0.000 0.447 493 R N -0.338 120.130 120.500 -0.055 0.000 2.083 493 R HA -0.074 4.605 4.340 0.566 0.000 0.237 493 R C 1.877 178.141 176.300 -0.060 0.000 1.137 493 R CA 1.663 57.725 56.100 -0.063 0.000 0.951 493 R CB -0.654 29.573 30.300 -0.122 0.000 0.851 493 R HN 0.403 nan 8.270 nan 0.000 0.434 494 L N 0.043 121.222 121.223 -0.072 0.000 2.141 494 L HA -0.082 4.598 4.340 0.566 0.000 0.209 494 L C 2.333 179.182 176.870 -0.035 0.000 1.094 494 L CA 1.196 56.003 54.840 -0.054 0.000 0.763 494 L CB -0.934 41.099 42.059 -0.044 0.000 0.908 494 L HN 0.141 nan 8.230 nan 0.000 0.437 495 V N -0.117 119.800 119.914 0.005 0.000 2.358 495 V HA -0.270 4.190 4.120 0.566 0.000 0.246 495 V C 2.577 178.577 176.094 -0.158 0.000 1.047 495 V CA 1.693 63.979 62.300 -0.023 0.000 1.035 495 V CB -0.386 31.493 31.823 0.093 0.000 0.658 495 V HN 0.480 nan 8.190 nan 0.000 0.452 496 E N 0.064 120.206 120.200 -0.096 0.000 2.058 496 E HA -0.235 4.455 4.350 0.566 0.000 0.194 496 E C 2.223 178.738 176.600 -0.143 0.000 0.997 496 E CA 1.751 58.074 56.400 -0.129 0.000 0.801 496 E CB -0.162 29.545 29.700 0.011 0.000 0.746 496 E HN 0.604 nan 8.360 nan 0.000 0.450 497 I N 0.855 121.369 120.570 -0.093 0.000 2.226 497 I HA -0.278 4.232 4.170 0.566 0.000 0.245 497 I C 2.598 178.656 176.117 -0.098 0.000 1.100 497 I CA 1.066 62.319 61.300 -0.079 0.000 1.374 497 I CB -0.358 37.604 38.000 -0.063 0.000 1.057 497 I HN 0.198 nan 8.210 nan 0.000 0.413 498 A N 0.725 123.471 122.820 -0.123 0.000 1.877 498 A HA -0.155 4.505 4.320 0.566 0.000 0.216 498 A C 2.561 180.046 177.584 -0.165 0.000 1.186 498 A CA 1.818 53.774 52.037 -0.136 0.000 0.620 498 A CB -0.890 18.026 19.000 -0.140 0.000 0.822 498 A HN 0.424 nan 8.150 nan 0.000 0.443 499 A N -0.019 122.628 122.820 -0.288 0.000 1.851 499 A HA -0.225 4.434 4.320 0.566 0.000 0.216 499 A C 2.132 179.626 177.584 -0.149 0.000 1.195 499 A CA 2.008 53.825 52.037 -0.367 0.000 0.622 499 A CB -0.590 17.730 19.000 -1.134 0.000 0.831 499 A HN 0.533 nan 8.150 nan 0.000 0.444 500 K N -0.603 119.725 120.400 -0.120 0.000 2.044 500 K HA -0.184 4.475 4.320 0.566 0.000 0.210 500 K C 1.836 178.433 176.600 -0.005 0.000 1.049 500 K CA 1.605 57.879 56.287 -0.021 0.000 0.927 500 K CB -0.332 32.158 32.500 -0.015 0.000 0.713 500 K HN 0.415 nan 8.250 nan 0.000 0.443 501 N N 1.136 119.829 118.700 -0.012 0.000 2.223 501 N HA -0.152 4.928 4.740 0.566 0.000 0.185 501 N C 1.693 177.289 175.510 0.144 0.000 1.016 501 N CA 0.743 53.816 53.050 0.039 0.000 0.863 501 N CB -0.268 38.241 38.487 0.036 0.000 0.983 501 N HN 0.063 nan 8.380 nan 0.000 0.429 502 L N 1.559 122.831 121.223 0.081 0.000 2.027 502 L HA -0.116 4.564 4.340 0.566 0.000 0.206 502 L C 1.954 178.914 176.870 0.149 0.000 1.074 502 L CA 1.677 56.590 54.840 0.122 0.000 0.745 502 L CB -0.686 41.412 42.059 0.065 0.000 0.898 502 L HN 0.155 nan 8.230 nan 0.000 0.433 503 Q N -1.411 118.447 119.800 0.096 0.000 2.226 503 Q HA -0.169 4.511 4.340 0.566 0.000 0.204 503 Q C 1.920 177.954 176.000 0.057 0.000 0.975 503 Q CA 1.861 57.716 55.803 0.086 0.000 0.866 503 Q CB -0.277 28.510 28.738 0.082 0.000 0.915 503 Q HN 0.535 nan 8.270 nan 0.000 0.440 504 T N -0.163 114.402 114.554 0.018 0.000 2.821 504 T HA -0.138 4.552 4.350 0.566 0.000 0.267 504 T C 1.180 175.809 174.700 -0.118 0.000 1.046 504 T CA 1.439 63.494 62.100 -0.075 0.000 1.139 504 T CB -0.161 68.612 68.868 -0.158 0.000 0.871 504 T HN 0.419 nan 8.240 nan 0.000 0.454 505 H N -0.094 118.987 119.070 0.017 0.000 2.372 505 H HA 0.107 5.003 4.556 0.567 0.000 0.301 505 H C 2.331 177.678 175.328 0.032 0.000 1.065 505 H CA 0.906 56.967 56.048 0.022 0.000 1.364 505 H CB -0.372 29.404 29.762 0.024 0.000 1.406 505 H HN 0.077 nan 8.280 nan 0.000 0.521 506 V N 0.108 120.120 119.914 0.164 0.000 2.255 506 V HA -0.252 4.208 4.120 0.566 0.000 0.247 506 V C 1.918 178.054 176.094 0.070 0.000 1.051 506 V CA 2.151 64.517 62.300 0.111 0.000 1.018 506 V CB -0.489 31.396 31.823 0.104 0.000 0.641 506 V HN 0.380 nan 8.190 nan 0.000 0.445 507 S N -0.903 114.828 115.700 0.051 0.000 2.653 507 S HA -0.077 4.733 4.470 0.566 0.000 0.233 507 S C 1.315 175.926 174.600 0.018 0.000 0.970 507 S CA 1.023 59.241 58.200 0.030 0.000 0.947 507 S CB -0.763 62.449 63.200 0.020 0.000 0.771 507 S HN 0.942 nan 8.310 nan 0.000 0.538 508 H N -0.812 118.273 119.070 0.024 0.000 2.505 508 H HA 0.665 5.561 4.556 0.566 0.000 0.286 508 H C 1.390 176.737 175.328 0.032 0.000 1.072 508 H CA 0.830 56.887 56.048 0.015 0.000 1.141 508 H CB -0.767 28.995 29.762 0.001 0.000 1.550 508 H HN 0.399 nan 8.280 nan 0.000 0.547 509 R N 0.337 120.859 120.500 0.037 0.000 3.954 509 R HA -0.178 4.502 4.340 0.566 0.000 0.422 509 R C 0.638 176.966 176.300 0.046 0.000 1.091 509 R CA 1.599 57.721 56.100 0.037 0.000 1.168 509 R CB -3.038 27.278 30.300 0.027 0.000 1.752 509 R HN 0.725 nan 8.270 nan 0.000 0.547 510 K N 1.811 122.249 120.400 0.064 0.000 2.237 510 K HA 0.400 5.060 4.320 0.566 0.000 0.270 510 K C 0.882 177.523 176.600 0.068 0.000 1.015 510 K CA 0.337 56.667 56.287 0.072 0.000 0.949 510 K CB 1.240 33.801 32.500 0.103 0.000 0.976 510 K HN 0.640 nan 8.250 nan 0.000 0.472 511 S N 1.195 116.929 115.700 0.057 0.000 2.549 511 S HA 0.042 4.852 4.470 0.566 0.000 0.286 511 S C 1.472 176.113 174.600 0.068 0.000 1.314 511 S CA 0.033 58.264 58.200 0.051 0.000 1.062 511 S CB 1.283 64.506 63.200 0.039 0.000 0.865 511 S HN 0.706 nan 8.310 nan 0.000 0.498 512 K N 2.590 123.028 120.400 0.064 0.000 2.189 512 K HA -0.232 4.428 4.320 0.566 0.000 0.207 512 K C 1.731 178.397 176.600 0.111 0.000 1.046 512 K CA 2.427 58.764 56.287 0.083 0.000 0.928 512 K CB -1.333 31.196 32.500 0.048 0.000 0.720 512 K HN 0.875 nan 8.250 nan 0.000 0.458 513 E N -0.390 119.856 120.200 0.077 0.000 2.046 513 E HA -0.006 4.684 4.350 0.566 0.000 0.190 513 E C 2.137 178.816 176.600 0.132 0.000 0.982 513 E CA 1.024 57.481 56.400 0.095 0.000 0.800 513 E CB -0.085 29.640 29.700 0.042 0.000 0.756 513 E HN 0.248 nan 8.360 nan 0.000 0.449 514 V N 1.066 121.029 119.914 0.082 0.000 2.407 514 V HA -0.268 4.192 4.120 0.566 0.000 0.248 514 V C 2.173 178.281 176.094 0.023 0.000 1.055 514 V CA 1.760 64.092 62.300 0.053 0.000 1.049 514 V CB -0.710 31.138 31.823 0.041 0.000 0.662 514 V HN 0.352 nan 8.190 nan 0.000 0.455 515 A N -0.445 122.410 122.820 0.058 0.000 1.883 515 A HA -0.282 4.377 4.320 0.566 0.000 0.217 515 A C 2.167 179.745 177.584 -0.011 0.000 1.186 515 A CA 1.924 53.966 52.037 0.009 0.000 0.624 515 A CB -0.868 18.210 19.000 0.131 0.000 0.822 515 A HN 0.750 nan 8.150 nan 0.000 0.444 516 W N 1.030 122.290 121.300 -0.067 0.000 2.333 516 W HA -0.271 4.728 4.660 0.566 0.000 0.316 516 W C 2.038 178.515 176.519 -0.070 0.000 1.215 516 W CA 2.271 59.586 57.345 -0.051 0.000 1.278 516 W CB -0.417 29.032 29.460 -0.018 0.000 1.154 516 W HN 0.510 nan 8.180 nan 0.000 0.486 517 N N 0.727 119.465 118.700 0.064 0.000 2.043 517 N HA -0.217 4.863 4.740 0.566 0.000 0.193 517 N C 1.875 177.285 175.510 -0.166 0.000 1.037 517 N CA 2.332 55.358 53.050 -0.040 0.000 0.851 517 N CB -0.995 37.505 38.487 0.022 0.000 1.027 517 N HN 0.174 nan 8.380 nan 0.000 0.422 518 L N -0.747 120.343 121.223 -0.222 0.000 2.633 518 L HA -0.013 4.667 4.340 0.566 0.000 0.235 518 L C 0.675 177.321 176.870 -0.374 0.000 1.163 518 L CA 0.819 55.466 54.840 -0.322 0.000 0.859 518 L CB -0.225 41.537 42.059 -0.496 0.000 0.973 518 L HN 0.221 nan 8.230 nan 0.000 0.451 519 T N -2.783 111.553 114.554 -0.363 0.000 3.043 519 T HA 0.021 4.711 4.350 0.566 0.000 0.272 519 T C 1.778 176.255 174.700 -0.371 0.000 0.990 519 T CA 0.560 62.474 62.100 -0.310 0.000 0.897 519 T CB 0.458 69.157 68.868 -0.282 0.000 1.111 519 T HN 0.392 nan 8.240 nan 0.000 0.529 520 S N 1.478 116.944 115.700 -0.391 0.000 2.370 520 S HA -0.119 4.691 4.470 0.566 0.000 0.226 520 S C 2.066 176.540 174.600 -0.210 0.000 1.033 520 S CA 0.889 58.859 58.200 -0.383 0.000 1.011 520 S CB -0.953 62.090 63.200 -0.262 0.000 0.852 520 S HN 0.280 nan 8.310 nan 0.000 0.457 521 V N 3.100 122.931 119.914 -0.139 0.000 2.295 521 V HA -0.201 4.259 4.120 0.566 0.000 0.246 521 V C 2.386 178.434 176.094 -0.077 0.000 1.049 521 V CA 2.375 64.629 62.300 -0.077 0.000 1.024 521 V CB -1.095 30.692 31.823 -0.059 0.000 0.648 521 V HN 0.418 nan 8.190 nan 0.000 0.447 522 D N 0.109 120.447 120.400 -0.103 0.000 2.123 522 D HA -0.151 4.829 4.640 0.566 0.000 0.196 522 D C 2.079 178.318 176.300 -0.101 0.000 0.992 522 D CA 1.181 55.127 54.000 -0.091 0.000 0.833 522 D CB -0.330 40.411 40.800 -0.098 0.000 0.954 522 D HN 0.335 nan 8.370 nan 0.000 0.455 523 L N 0.075 121.190 121.223 -0.180 0.000 2.046 523 L HA -0.142 4.538 4.340 0.566 0.000 0.208 523 L C 2.398 179.241 176.870 -0.045 0.000 1.077 523 L CA 0.599 55.329 54.840 -0.184 0.000 0.747 523 L CB -0.378 41.413 42.059 -0.446 0.000 0.896 523 L HN -0.010 nan 8.230 nan 0.000 0.432 524 V N -0.196 119.707 119.914 -0.018 0.000 2.332 524 V HA -0.291 4.169 4.120 0.566 0.000 0.248 524 V C 2.584 178.754 176.094 0.127 0.000 1.055 524 V CA 1.744 64.101 62.300 0.095 0.000 1.038 524 V CB -0.677 31.219 31.823 0.122 0.000 0.651 524 V HN 0.412 nan 8.190 nan 0.000 0.450 525 R N -0.020 120.523 120.500 0.073 0.000 2.120 525 R HA -0.101 4.579 4.340 0.566 0.000 0.234 525 R C 2.386 178.745 176.300 0.099 0.000 1.123 525 R CA 1.348 57.499 56.100 0.084 0.000 0.975 525 R CB -0.484 29.834 30.300 0.030 0.000 0.866 525 R HN 0.561 nan 8.270 nan 0.000 0.446 526 A N 0.434 123.299 122.820 0.075 0.000 1.897 526 A HA -0.102 4.558 4.320 0.566 0.000 0.215 526 A C 2.181 179.876 177.584 0.184 0.000 1.181 526 A CA 1.459 53.554 52.037 0.096 0.000 0.620 526 A CB -0.314 18.715 19.000 0.049 0.000 0.821 526 A HN 0.196 nan 8.150 nan 0.000 0.443 527 S N -0.533 115.283 115.700 0.193 0.000 2.368 527 S HA -0.185 4.624 4.470 0.566 0.000 0.225 527 S C 1.942 176.718 174.600 0.293 0.000 1.030 527 S CA 1.438 59.793 58.200 0.258 0.000 0.999 527 S CB -0.285 63.056 63.200 0.234 0.000 0.844 527 S HN 0.745 nan 8.310 nan 0.000 0.459 528 E N 1.389 121.763 120.200 0.290 0.000 2.038 528 E HA -0.184 4.506 4.350 0.566 0.000 0.195 528 E C 2.182 178.939 176.600 0.262 0.000 1.000 528 E CA 1.145 57.759 56.400 0.356 0.000 0.803 528 E CB -0.313 29.619 29.700 0.386 0.000 0.750 528 E HN 0.462 nan 8.360 nan 0.000 0.448 529 A N 0.303 123.265 122.820 0.237 0.000 1.940 529 A HA -0.254 4.406 4.320 0.566 0.000 0.219 529 A C 1.991 179.701 177.584 0.210 0.000 1.176 529 A CA 2.041 54.197 52.037 0.199 0.000 0.631 529 A CB -1.001 18.050 19.000 0.086 0.000 0.814 529 A HN 0.569 nan 8.150 nan 0.000 0.446 530 H N -0.603 118.571 119.070 0.174 0.000 2.293 530 H HA -0.166 4.729 4.556 0.566 0.000 0.300 530 H C 2.031 177.468 175.328 0.182 0.000 1.082 530 H CA 2.325 58.521 56.048 0.247 0.000 1.308 530 H CB -0.717 29.222 29.762 0.295 0.000 1.375 530 H HN 0.418 nan 8.280 nan 0.000 0.495 531 C N -0.054 119.222 119.300 -0.041 0.000 2.429 531 C HA -0.123 4.677 4.460 0.566 0.000 0.277 531 C C 2.613 177.304 174.990 -0.499 0.000 1.262 531 C CA 1.368 60.211 59.018 -0.292 0.000 1.733 531 C CB -1.307 26.279 27.740 -0.257 0.000 2.010 531 C HN 0.731 nan 8.230 nan 0.000 0.483 532 H N -1.409 117.267 119.070 -0.656 0.000 2.352 532 H HA -0.242 4.654 4.556 0.567 0.000 0.299 532 H C 2.239 177.558 175.328 -0.015 0.000 1.097 532 H CA 1.929 57.746 56.048 -0.385 0.000 1.311 532 H CB -0.193 29.634 29.762 0.108 0.000 1.377 532 H HN 0.582 nan 8.280 nan 0.000 0.504 533 Y N 0.904 121.248 120.300 0.073 0.000 2.165 533 Y HA -0.217 4.673 4.550 0.567 0.000 0.286 533 Y C 2.190 178.034 175.900 -0.094 0.000 1.155 533 Y CA 1.355 59.462 58.100 0.012 0.000 1.164 533 Y CB -0.726 37.707 38.460 -0.044 0.000 0.978 533 Y HN 0.043 nan 8.280 nan 0.000 0.513 534 V N -0.618 119.013 119.914 -0.471 0.000 2.343 534 V HA -0.304 4.156 4.120 0.566 0.000 0.247 534 V C 2.484 178.366 176.094 -0.353 0.000 1.051 534 V CA 1.740 63.706 62.300 -0.558 0.000 1.036 534 V CB -0.983 30.593 31.823 -0.411 0.000 0.654 534 V HN 0.351 nan 8.190 nan 0.000 0.451 535 V N -0.302 119.523 119.914 -0.149 0.000 2.287 535 V HA -0.242 4.218 4.120 0.566 0.000 0.248 535 V C 2.438 178.570 176.094 0.064 0.000 1.053 535 V CA 2.014 64.329 62.300 0.025 0.000 1.027 535 V CB -0.586 31.413 31.823 0.294 0.000 0.646 535 V HN 0.399 nan 8.190 nan 0.000 0.447 536 V N 0.126 120.085 119.914 0.074 0.000 2.287 536 V HA -0.340 4.120 4.120 0.566 0.000 0.248 536 V C 2.460 178.538 176.094 -0.027 0.000 1.053 536 V CA 2.586 64.902 62.300 0.027 0.000 1.027 536 V CB -0.710 30.916 31.823 -0.329 0.000 0.646 536 V HN 0.608 nan 8.190 nan 0.000 0.447 537 K N -0.172 120.122 120.400 -0.176 0.000 2.057 537 K HA -0.149 4.511 4.320 0.566 0.000 0.207 537 K C 2.057 178.571 176.600 -0.143 0.000 1.049 537 K CA 1.632 57.811 56.287 -0.181 0.000 0.931 537 K CB -0.183 32.080 32.500 -0.395 0.000 0.714 537 K HN 0.310 nan 8.250 nan 0.000 0.440 538 V N 1.164 120.953 119.914 -0.208 0.000 2.343 538 V HA -0.227 4.233 4.120 0.566 0.000 0.247 538 V C 2.040 178.140 176.094 0.010 0.000 1.051 538 V CA 1.918 64.103 62.300 -0.191 0.000 1.036 538 V CB -0.535 31.089 31.823 -0.331 0.000 0.654 538 V HN 0.365 nan 8.190 nan 0.000 0.451 539 F N 0.690 120.592 119.950 -0.081 0.000 2.075 539 F HA -0.237 4.631 4.527 0.567 0.000 0.297 539 F C 2.689 178.418 175.800 -0.118 0.000 1.113 539 F CA 1.529 59.498 58.000 -0.051 0.000 1.218 539 F CB 0.088 39.100 39.000 0.020 0.000 0.984 539 F HN 0.152 nan 8.300 nan 0.000 0.472 540 S N 0.062 115.822 115.700 0.101 0.000 2.370 540 S HA -0.229 4.581 4.470 0.566 0.000 0.226 540 S C 1.356 175.941 174.600 -0.025 0.000 1.033 540 S CA 1.515 59.700 58.200 -0.025 0.000 1.011 540 S CB -0.447 62.736 63.200 -0.027 0.000 0.852 540 S HN 0.434 nan 8.310 nan 0.000 0.457 541 D N 0.839 121.228 120.400 -0.019 0.000 2.219 541 D HA -0.053 4.926 4.640 0.566 0.000 0.205 541 D C 1.903 178.176 176.300 -0.045 0.000 0.970 541 D CA 0.856 54.841 54.000 -0.026 0.000 0.851 541 D CB -0.137 40.649 40.800 -0.023 0.000 0.943 541 D HN 0.240 nan 8.370 nan 0.000 0.488 542 K N 0.524 120.875 120.400 -0.081 0.000 2.057 542 K HA -0.106 4.554 4.320 0.566 0.000 0.206 542 K C 1.873 178.383 176.600 -0.151 0.000 1.050 542 K CA 0.492 56.673 56.287 -0.177 0.000 0.935 542 K CB -0.365 31.858 32.500 -0.461 0.000 0.715 542 K HN -0.088 nan 8.250 nan 0.000 0.439 543 L N 1.482 122.634 121.223 -0.119 0.000 1.991 543 L HA -0.193 4.487 4.340 0.566 0.000 0.221 543 L C -0.915 175.913 176.870 -0.070 0.000 1.079 543 L CA 2.314 57.094 54.840 -0.100 0.000 0.778 543 L CB -1.845 40.153 42.059 -0.102 0.000 0.893 543 L HN 0.273 nan 8.230 nan 0.000 0.437 544 P HA -0.192 nan 4.420 nan 0.000 0.226 544 P C 0.847 178.132 177.300 -0.026 0.000 1.146 544 P CA 1.423 64.503 63.100 -0.033 0.000 0.773 544 P CB -0.091 31.596 31.700 -0.022 0.000 0.772 545 K N -0.802 119.578 120.400 -0.033 0.000 2.404 545 K HA 0.144 4.804 4.320 0.566 0.000 0.194 545 K C 0.706 177.296 176.600 -0.016 0.000 1.023 545 K CA -0.124 56.152 56.287 -0.019 0.000 1.094 545 K CB 0.235 32.725 32.500 -0.016 0.000 0.841 545 K HN 0.150 nan 8.250 nan 0.000 0.523 546 I N 2.686 123.238 120.570 -0.029 0.000 2.396 546 I HA -0.006 4.504 4.170 0.566 0.000 0.289 546 I C 1.387 177.501 176.117 -0.004 0.000 1.056 546 I CA 0.324 61.614 61.300 -0.016 0.000 1.365 546 I CB 1.124 39.103 38.000 -0.034 0.000 1.407 546 I HN 0.091 nan 8.210 nan 0.000 0.509 547 Q N 3.034 122.842 119.800 0.012 0.000 2.083 547 Q HA -0.061 4.619 4.340 0.566 0.000 0.198 547 Q C 0.569 176.578 176.000 0.015 0.000 0.969 547 Q CA 0.983 56.795 55.803 0.015 0.000 0.838 547 Q CB 0.025 28.777 28.738 0.025 0.000 0.900 547 Q HN 0.595 nan 8.270 nan 0.000 0.436 548 D N 1.385 121.798 120.400 0.022 0.000 2.358 548 D HA -0.033 4.946 4.640 0.566 0.000 0.258 548 D C 0.667 176.973 176.300 0.010 0.000 1.223 548 D CA -0.022 53.992 54.000 0.024 0.000 0.886 548 D CB 0.845 41.669 40.800 0.040 0.000 1.120 548 D HN -0.139 nan 8.370 nan 0.000 0.482 549 K N 3.214 123.619 120.400 0.008 0.000 2.103 549 K HA -0.146 4.514 4.320 0.566 0.000 0.207 549 K C 1.664 178.263 176.600 -0.002 0.000 1.048 549 K CA 0.966 57.252 56.287 -0.001 0.000 0.930 549 K CB -0.463 32.037 32.500 0.001 0.000 0.716 549 K HN 0.516 nan 8.250 nan 0.000 0.444 550 A N 1.028 123.860 122.820 0.020 0.000 1.873 550 A HA -0.093 4.567 4.320 0.566 0.000 0.215 550 A C 2.553 180.144 177.584 0.012 0.000 1.186 550 A CA 1.424 53.486 52.037 0.042 0.000 0.616 550 A CB -0.659 18.397 19.000 0.093 0.000 0.823 550 A HN 0.051 nan 8.150 nan 0.000 0.442 551 V N 0.192 120.108 119.914 0.003 0.000 2.343 551 V HA -0.326 4.134 4.120 0.566 0.000 0.247 551 V C 2.754 178.762 176.094 -0.144 0.000 1.051 551 V CA 2.383 64.621 62.300 -0.102 0.000 1.036 551 V CB -0.766 31.036 31.823 -0.035 0.000 0.654 551 V HN 0.798 nan 8.190 nan 0.000 0.451 552 Q N -0.146 119.606 119.800 -0.080 0.000 2.084 552 Q HA -0.217 4.463 4.340 0.566 0.000 0.202 552 Q C 2.243 178.180 176.000 -0.105 0.000 0.978 552 Q CA 2.012 57.765 55.803 -0.083 0.000 0.844 552 Q CB -0.292 28.414 28.738 -0.054 0.000 0.898 552 Q HN 0.630 nan 8.270 nan 0.000 0.426 553 A N -0.025 122.742 122.820 -0.089 0.000 1.902 553 A HA -0.152 4.508 4.320 0.566 0.000 0.217 553 A C 2.173 179.678 177.584 -0.132 0.000 1.181 553 A CA 1.740 53.724 52.037 -0.088 0.000 0.623 553 A CB -0.721 18.248 19.000 -0.051 0.000 0.818 553 A HN 0.320 nan 8.150 nan 0.000 0.443 554 V N 0.046 119.842 119.914 -0.196 0.000 2.307 554 V HA -0.215 4.244 4.120 0.566 0.000 0.245 554 V C 2.497 178.414 176.094 -0.294 0.000 1.045 554 V CA 1.732 63.861 62.300 -0.285 0.000 1.024 554 V CB -0.994 30.503 31.823 -0.545 0.000 0.651 554 V HN 0.540 nan 8.190 nan 0.000 0.449 555 L N -0.139 120.914 121.223 -0.284 0.000 2.131 555 L HA -0.175 4.505 4.340 0.566 0.000 0.210 555 L C 2.777 179.532 176.870 -0.191 0.000 1.092 555 L CA 1.707 56.441 54.840 -0.177 0.000 0.759 555 L CB -0.617 41.410 42.059 -0.053 0.000 0.903 555 L HN 0.300 nan 8.230 nan 0.000 0.435 556 R N 0.755 121.139 120.500 -0.194 0.000 2.073 556 R HA -0.172 4.508 4.340 0.566 0.000 0.234 556 R C 1.982 178.157 176.300 -0.209 0.000 1.134 556 R CA 1.962 57.936 56.100 -0.211 0.000 0.952 556 R CB -0.225 29.988 30.300 -0.144 0.000 0.850 556 R HN 0.469 nan 8.270 nan 0.000 0.433 557 N N 0.061 118.664 118.700 -0.162 0.000 2.104 557 N HA -0.159 4.921 4.740 0.566 0.000 0.190 557 N C 1.858 177.297 175.510 -0.120 0.000 1.024 557 N CA 1.181 54.159 53.050 -0.120 0.000 0.853 557 N CB -0.038 38.386 38.487 -0.104 0.000 1.008 557 N HN 0.208 nan 8.380 nan 0.000 0.424 558 L N 0.094 121.228 121.223 -0.148 0.000 2.093 558 L HA -0.172 4.507 4.340 0.566 0.000 0.208 558 L C 2.705 179.501 176.870 -0.124 0.000 1.085 558 L CA 0.615 55.417 54.840 -0.062 0.000 0.755 558 L CB -0.426 41.630 42.059 -0.005 0.000 0.904 558 L HN 0.425 nan 8.230 nan 0.000 0.435 559 C N 0.326 119.309 119.300 -0.527 0.000 2.432 559 C HA -0.137 4.663 4.460 0.566 0.000 0.277 559 C C 2.759 177.565 174.990 -0.307 0.000 1.249 559 C CA 0.576 59.020 59.018 -0.958 0.000 1.725 559 C CB -0.742 26.273 27.740 -1.209 0.000 2.028 559 C HN 0.408 nan 8.230 nan 0.000 0.477 560 L N 0.322 121.427 121.223 -0.197 0.000 2.083 560 L HA -0.125 4.554 4.340 0.566 0.000 0.209 560 L C 2.483 179.358 176.870 0.008 0.000 1.083 560 L CA 1.132 55.927 54.840 -0.075 0.000 0.752 560 L CB -0.679 41.342 42.059 -0.062 0.000 0.899 560 L HN 0.382 nan 8.230 nan 0.000 0.433 561 L N -1.268 119.973 121.223 0.030 0.000 2.056 561 L HA -0.241 4.439 4.340 0.566 0.000 0.207 561 L C 2.425 179.395 176.870 0.165 0.000 1.078 561 L CA 1.681 56.578 54.840 0.096 0.000 0.749 561 L CB -0.727 41.383 42.059 0.085 0.000 0.901 561 L HN 0.170 nan 8.230 nan 0.000 0.433 562 Y N 0.178 120.536 120.300 0.095 0.000 2.097 562 Y HA -0.293 4.597 4.550 0.566 0.000 0.282 562 Y C 2.848 178.897 175.900 0.248 0.000 1.152 562 Y CA 2.178 60.400 58.100 0.202 0.000 1.136 562 Y CB -0.640 37.987 38.460 0.277 0.000 0.975 562 Y HN 0.464 nan 8.280 nan 0.000 0.498 563 S N -0.192 115.569 115.700 0.102 0.000 2.357 563 S HA -0.185 4.625 4.470 0.566 0.000 0.221 563 S C 2.083 176.760 174.600 0.129 0.000 1.031 563 S CA 1.424 59.645 58.200 0.034 0.000 0.982 563 S CB -1.124 62.083 63.200 0.012 0.000 0.853 563 S HN 0.495 nan 8.310 nan 0.000 0.458 564 L N -0.169 121.105 121.223 0.085 0.000 2.042 564 L HA -0.083 4.597 4.340 0.566 0.000 0.210 564 L C 2.675 179.582 176.870 0.061 0.000 1.076 564 L CA 1.995 56.862 54.840 0.044 0.000 0.749 564 L CB -0.707 41.383 42.059 0.053 0.000 0.893 564 L HN 0.377 nan 8.230 nan 0.000 0.432 565 Y N 0.634 120.929 120.300 -0.008 0.000 2.224 565 Y HA -0.187 4.703 4.550 0.566 0.000 0.289 565 Y C 2.285 178.192 175.900 0.012 0.000 1.146 565 Y CA 1.535 59.632 58.100 -0.005 0.000 1.182 565 Y CB -0.375 38.064 38.460 -0.034 0.000 0.983 565 Y HN 0.081 nan 8.280 nan 0.000 0.524 566 G N 0.384 109.220 108.800 0.060 0.000 2.408 566 G HA2 -0.224 4.076 3.960 0.566 0.000 0.217 566 G HA3 -0.224 4.076 3.960 0.566 0.000 0.217 566 G C 1.665 176.546 174.900 -0.032 0.000 1.150 566 G CA 1.142 46.312 45.100 0.116 0.000 0.776 566 G HN 0.505 nan 8.290 nan 0.000 0.542 567 I N 0.737 121.174 120.570 -0.222 0.000 2.226 567 I HA -0.166 4.344 4.170 0.566 0.000 0.245 567 I C 3.000 178.950 176.117 -0.279 0.000 1.100 567 I CA 1.328 62.274 61.300 -0.590 0.000 1.374 567 I CB -0.128 37.405 38.000 -0.777 0.000 1.057 567 I HN 0.291 nan 8.210 nan 0.000 0.413 568 S N 0.058 115.641 115.700 -0.194 0.000 2.387 568 S HA -0.180 4.630 4.470 0.566 0.000 0.226 568 S C 2.043 176.565 174.600 -0.130 0.000 1.026 568 S CA 1.073 59.196 58.200 -0.128 0.000 0.972 568 S CB -0.078 63.076 63.200 -0.077 0.000 0.814 568 S HN 0.347 nan 8.310 nan 0.000 0.477 569 Q N 0.720 120.379 119.800 -0.235 0.000 2.181 569 Q HA 0.040 4.720 4.340 0.566 0.000 0.205 569 Q C 0.739 176.722 176.000 -0.029 0.000 0.980 569 Q CA 1.161 56.850 55.803 -0.190 0.000 0.862 569 Q CB -0.128 28.442 28.738 -0.281 0.000 0.905 569 Q HN 0.537 nan 8.270 nan 0.000 0.429 570 K N -0.438 119.990 120.400 0.047 0.000 3.202 570 K HA 0.238 4.898 4.320 0.566 0.000 0.206 570 K C 1.086 177.797 176.600 0.185 0.000 1.142 570 K CA -0.013 56.341 56.287 0.113 0.000 0.979 570 K CB 0.870 33.464 32.500 0.157 0.000 0.863 570 K HN 0.092 nan 8.250 nan 0.000 0.479 571 G N 0.865 109.729 108.800 0.107 0.000 2.505 571 G HA2 -0.307 3.992 3.960 0.566 0.000 0.220 571 G HA3 -0.307 3.992 3.960 0.566 0.000 0.220 571 G C 1.374 176.356 174.900 0.137 0.000 1.145 571 G CA 1.378 46.549 45.100 0.117 0.000 0.761 571 G HN 0.508 nan 8.290 nan 0.000 0.571 572 G N 0.640 109.481 108.800 0.068 0.000 2.475 572 G HA2 -0.215 4.085 3.960 0.566 0.000 0.220 572 G HA3 -0.215 4.085 3.960 0.566 0.000 0.220 572 G C 1.460 176.355 174.900 -0.008 0.000 1.125 572 G CA 1.407 46.523 45.100 0.026 0.000 0.755 572 G HN 0.378 nan 8.290 nan 0.000 0.565 573 D N 0.332 120.706 120.400 -0.043 0.000 2.117 573 D HA -0.047 4.933 4.640 0.566 0.000 0.198 573 D C 2.133 178.245 176.300 -0.313 0.000 0.982 573 D CA 0.638 54.501 54.000 -0.229 0.000 0.828 573 D CB -0.371 40.179 40.800 -0.417 0.000 0.967 573 D HN 0.399 nan 8.370 nan 0.000 0.464 574 F N -0.079 119.806 119.950 -0.109 0.000 2.259 574 F HA -0.019 4.848 4.527 0.566 0.000 0.298 574 F C 2.069 177.821 175.800 -0.079 0.000 1.088 574 F CA 0.220 58.150 58.000 -0.116 0.000 1.358 574 F CB -0.219 38.693 39.000 -0.146 0.000 1.040 574 F HN -0.063 nan 8.300 nan 0.000 0.505 575 L N -0.060 121.223 121.223 0.099 0.000 2.068 575 L HA -0.098 4.582 4.340 0.566 0.000 0.204 575 L C 2.515 179.389 176.870 0.006 0.000 1.076 575 L CA 1.512 56.379 54.840 0.045 0.000 0.753 575 L CB -1.154 40.925 42.059 0.034 0.000 0.910 575 L HN 0.072 nan 8.230 nan 0.000 0.439 576 E N 0.083 120.274 120.200 -0.016 0.000 2.130 576 E HA -0.189 4.500 4.350 0.566 0.000 0.196 576 E C 1.772 178.348 176.600 -0.039 0.000 0.998 576 E CA 1.406 57.788 56.400 -0.031 0.000 0.806 576 E CB -0.199 29.474 29.700 -0.046 0.000 0.738 576 E HN 0.448 nan 8.360 nan 0.000 0.459 577 G N -0.512 108.253 108.800 -0.060 0.000 3.088 577 G HA2 0.006 4.306 3.960 0.566 0.000 0.212 577 G HA3 0.006 4.306 3.960 0.566 0.000 0.212 577 G C 0.523 175.405 174.900 -0.031 0.000 1.173 577 G CA 0.499 45.562 45.100 -0.061 0.000 0.779 577 G HN 0.154 nan 8.290 nan 0.000 0.540 578 S N -0.935 114.758 115.700 -0.012 0.000 3.473 578 S HA -0.206 4.603 4.470 0.566 0.000 0.339 578 S C 1.600 176.207 174.600 0.012 0.000 1.148 578 S CA 0.823 59.025 58.200 0.002 0.000 0.969 578 S CB -1.545 61.654 63.200 -0.002 0.000 0.936 578 S HN 0.537 nan 8.310 nan 0.000 0.530 579 I N 0.219 120.805 120.570 0.026 0.000 2.286 579 I HA 0.032 4.542 4.170 0.566 0.000 0.245 579 I C 1.233 177.387 176.117 0.061 0.000 1.104 579 I CA 1.317 62.647 61.300 0.050 0.000 1.397 579 I CB -0.007 38.046 38.000 0.087 0.000 1.072 579 I HN 0.562 nan 8.210 nan 0.000 0.417 580 I N -2.488 118.125 120.570 0.072 0.000 3.002 580 I HA 0.490 4.999 4.170 0.566 0.000 0.310 580 I C 0.043 176.172 176.117 0.021 0.000 1.087 580 I CA -0.749 60.569 61.300 0.030 0.000 1.017 580 I CB 1.998 39.996 38.000 -0.004 0.000 1.226 580 I HN -0.133 nan 8.210 nan 0.000 0.443 581 T N 0.301 114.858 114.554 0.005 0.000 2.881 581 T HA 0.418 5.108 4.350 0.566 0.000 0.278 581 T C 1.167 175.866 174.700 -0.001 0.000 0.982 581 T CA -0.131 61.971 62.100 0.003 0.000 0.989 581 T CB 1.356 70.224 68.868 -0.001 0.000 1.058 581 T HN 0.893 nan 8.240 nan 0.000 0.529 582 G N 0.060 108.860 108.800 -0.001 0.000 2.442 582 G HA2 -0.031 4.269 3.960 0.566 0.000 0.219 582 G HA3 -0.031 4.269 3.960 0.566 0.000 0.219 582 G C 1.707 176.602 174.900 -0.008 0.000 1.141 582 G CA 0.730 45.828 45.100 -0.003 0.000 0.763 582 G HN 1.065 nan 8.290 nan 0.000 0.554 583 A N 0.310 123.126 122.820 -0.007 0.000 1.902 583 A HA -0.074 4.585 4.320 0.566 0.000 0.217 583 A C 2.311 179.887 177.584 -0.013 0.000 1.181 583 A CA 1.858 53.890 52.037 -0.009 0.000 0.623 583 A CB -0.412 18.584 19.000 -0.007 0.000 0.818 583 A HN 0.446 nan 8.150 nan 0.000 0.443 584 Q N -1.226 118.565 119.800 -0.016 0.000 2.170 584 Q HA -0.143 4.537 4.340 0.566 0.000 0.203 584 Q C 2.000 177.978 176.000 -0.037 0.000 0.976 584 Q CA 1.251 57.038 55.803 -0.025 0.000 0.858 584 Q CB -0.274 28.447 28.738 -0.028 0.000 0.907 584 Q HN 0.573 nan 8.270 nan 0.000 0.433 585 L N 0.284 121.486 121.223 -0.035 0.000 2.083 585 L HA -0.144 4.536 4.340 0.566 0.000 0.209 585 L C 2.035 178.887 176.870 -0.031 0.000 1.083 585 L CA 1.759 56.573 54.840 -0.044 0.000 0.752 585 L CB -0.540 41.501 42.059 -0.030 0.000 0.899 585 L HN -0.005 nan 8.230 nan 0.000 0.433 586 S N -0.696 114.992 115.700 -0.020 0.000 2.368 586 S HA -0.216 4.594 4.470 0.566 0.000 0.225 586 S C 1.798 176.391 174.600 -0.011 0.000 1.030 586 S CA 1.428 59.620 58.200 -0.013 0.000 0.999 586 S CB -0.275 62.919 63.200 -0.011 0.000 0.844 586 S HN 0.602 nan 8.310 nan 0.000 0.459 587 Q N 0.394 120.186 119.800 -0.014 0.000 2.119 587 Q HA -0.039 4.641 4.340 0.566 0.000 0.201 587 Q C 2.269 178.264 176.000 -0.008 0.000 0.972 587 Q CA 1.126 56.923 55.803 -0.010 0.000 0.847 587 Q CB -0.374 28.356 28.738 -0.013 0.000 0.903 587 Q HN 0.338 nan 8.270 nan 0.000 0.433 588 V N 1.872 121.773 119.914 -0.021 0.000 2.261 588 V HA -0.276 4.183 4.120 0.566 0.000 0.246 588 V C 1.854 177.955 176.094 0.012 0.000 1.047 588 V CA 1.830 64.117 62.300 -0.023 0.000 1.015 588 V CB -0.553 31.227 31.823 -0.071 0.000 0.642 588 V HN 0.418 nan 8.190 nan 0.000 0.446 589 N N 0.349 119.055 118.700 0.011 0.000 2.149 589 N HA -0.138 4.942 4.740 0.566 0.000 0.188 589 N C 1.844 177.382 175.510 0.046 0.000 1.019 589 N CA 1.702 54.775 53.050 0.038 0.000 0.857 589 N CB -0.428 38.068 38.487 0.015 0.000 0.997 589 N HN 0.511 nan 8.380 nan 0.000 0.426 590 A N 1.070 123.905 122.820 0.025 0.000 1.898 590 A HA -0.094 4.566 4.320 0.566 0.000 0.216 590 A C 2.285 179.893 177.584 0.040 0.000 1.181 590 A CA 1.374 53.426 52.037 0.026 0.000 0.620 590 A CB -0.413 18.594 19.000 0.013 0.000 0.819 590 A HN 0.160 nan 8.150 nan 0.000 0.442 591 R N 0.292 120.815 120.500 0.037 0.000 2.120 591 R HA -0.007 4.673 4.340 0.566 0.000 0.234 591 R C 1.678 178.020 176.300 0.070 0.000 1.123 591 R CA 1.511 57.635 56.100 0.041 0.000 0.975 591 R CB -0.742 29.574 30.300 0.026 0.000 0.866 591 R HN 0.589 nan 8.270 nan 0.000 0.446 592 I N -0.006 120.623 120.570 0.099 0.000 2.179 592 I HA -0.302 4.208 4.170 0.566 0.000 0.242 592 I C 1.960 178.180 176.117 0.172 0.000 1.088 592 I CA 1.317 62.712 61.300 0.158 0.000 1.357 592 I CB -0.280 37.865 38.000 0.241 0.000 1.051 592 I HN 0.166 nan 8.210 nan 0.000 0.409 593 L N 0.265 121.575 121.223 0.145 0.000 2.079 593 L HA -0.224 4.456 4.340 0.566 0.000 0.210 593 L C 2.417 179.349 176.870 0.103 0.000 1.081 593 L CA 1.469 56.383 54.840 0.123 0.000 0.752 593 L CB -0.624 41.475 42.059 0.066 0.000 0.896 593 L HN 0.276 nan 8.230 nan 0.000 0.433 594 E N 0.103 120.351 120.200 0.081 0.000 2.106 594 E HA -0.183 4.507 4.350 0.566 0.000 0.192 594 E C 2.332 178.978 176.600 0.078 0.000 0.984 594 E CA 0.874 57.314 56.400 0.066 0.000 0.806 594 E CB -0.063 29.663 29.700 0.045 0.000 0.750 594 E HN 0.441 nan 8.360 nan 0.000 0.458 595 L N 0.608 121.885 121.223 0.090 0.000 2.093 595 L HA -0.169 4.511 4.340 0.566 0.000 0.208 595 L C 2.289 179.244 176.870 0.142 0.000 1.085 595 L CA 0.663 55.557 54.840 0.089 0.000 0.755 595 L CB -0.283 41.824 42.059 0.080 0.000 0.904 595 L HN 0.177 nan 8.230 nan 0.000 0.435 596 L N -0.380 120.965 121.223 0.203 0.000 2.013 596 L HA -0.265 4.415 4.340 0.566 0.000 0.212 596 L C 2.845 179.911 176.870 0.325 0.000 1.073 596 L CA 2.190 57.230 54.840 0.333 0.000 0.753 596 L CB -1.205 40.992 42.059 0.231 0.000 0.890 596 L HN 0.490 nan 8.230 nan 0.000 0.432 597 T N -2.331 112.334 114.554 0.185 0.000 2.904 597 T HA -0.087 4.603 4.350 0.566 0.000 0.267 597 T C 1.834 176.600 174.700 0.110 0.000 1.059 597 T CA 0.681 62.867 62.100 0.145 0.000 1.137 597 T CB -0.359 68.561 68.868 0.085 0.000 0.879 597 T HN 0.232 nan 8.240 nan 0.000 0.467 598 L N -0.135 121.138 121.223 0.083 0.000 2.201 598 L HA 0.193 4.873 4.340 0.566 0.000 0.212 598 L C 2.527 179.405 176.870 0.014 0.000 1.105 598 L CA 0.952 55.816 54.840 0.040 0.000 0.775 598 L CB -0.357 41.716 42.059 0.023 0.000 0.913 598 L HN 0.300 nan 8.230 nan 0.000 0.440 599 I N -1.129 119.449 120.570 0.013 0.000 2.703 599 I HA -0.146 4.363 4.170 0.566 0.000 0.259 599 I C 2.595 178.604 176.117 -0.180 0.000 1.151 599 I CA 0.099 61.315 61.300 -0.139 0.000 1.470 599 I CB -0.106 37.730 38.000 -0.273 0.000 1.112 599 I HN 0.163 nan 8.210 nan 0.000 0.437 600 R N 2.727 123.282 120.500 0.092 0.000 2.162 600 R HA -0.197 4.482 4.340 0.566 0.000 0.245 600 R C -0.681 175.665 176.300 0.077 0.000 1.129 600 R CA 2.376 58.615 56.100 0.232 0.000 0.940 600 R CB -1.913 28.545 30.300 0.263 0.000 0.875 600 R HN 0.209 nan 8.270 nan 0.000 0.437 601 P HA -0.051 nan 4.420 nan 0.000 0.234 601 P C -0.229 177.072 177.300 0.001 0.000 1.167 601 P CA 1.159 64.269 63.100 0.016 0.000 0.763 601 P CB 0.052 31.760 31.700 0.013 0.000 0.835 602 N N -0.886 117.812 118.700 -0.002 0.000 2.197 602 N HA 0.138 5.218 4.740 0.566 0.000 0.201 602 N C 1.667 177.183 175.510 0.009 0.000 1.148 602 N CA 0.429 53.522 53.050 0.073 0.000 0.883 602 N CB -0.008 38.614 38.487 0.225 0.000 1.012 602 N HN -0.019 nan 8.380 nan 0.000 0.507 603 A N 1.021 123.766 122.820 -0.126 0.000 1.881 603 A HA -0.188 4.472 4.320 0.566 0.000 0.219 603 A C 2.283 179.855 177.584 -0.019 0.000 1.215 603 A CA 1.958 53.889 52.037 -0.176 0.000 0.648 603 A CB -0.933 17.997 19.000 -0.118 0.000 0.832 603 A HN 0.060 nan 8.150 nan 0.000 0.455 604 V N -0.388 119.532 119.914 0.009 0.000 2.261 604 V HA -0.253 4.207 4.120 0.566 0.000 0.246 604 V C 3.076 179.175 176.094 0.008 0.000 1.047 604 V CA 2.173 64.479 62.300 0.009 0.000 1.015 604 V CB -1.344 30.462 31.823 -0.027 0.000 0.642 604 V HN 0.676 nan 8.190 nan 0.000 0.446 605 A N -0.538 122.275 122.820 -0.012 0.000 1.978 605 A HA -0.163 4.497 4.320 0.566 0.000 0.220 605 A C 2.214 179.897 177.584 0.166 0.000 1.170 605 A CA 1.740 53.764 52.037 -0.022 0.000 0.636 605 A CB -0.556 18.255 19.000 -0.315 0.000 0.810 605 A HN 0.523 nan 8.150 nan 0.000 0.448 606 L N -1.064 120.292 121.223 0.222 0.000 2.141 606 L HA -0.120 4.560 4.340 0.566 0.000 0.209 606 L C 2.408 179.176 176.870 -0.170 0.000 1.094 606 L CA 0.806 55.685 54.840 0.064 0.000 0.763 606 L CB -0.290 41.725 42.059 -0.073 0.000 0.908 606 L HN 0.268 nan 8.230 nan 0.000 0.437 607 V N -0.671 119.201 119.914 -0.070 0.000 2.649 607 V HA -0.182 4.278 4.120 0.566 0.000 0.248 607 V C 1.869 177.996 176.094 0.055 0.000 1.054 607 V CA 1.344 63.637 62.300 -0.012 0.000 1.073 607 V CB -0.193 31.732 31.823 0.171 0.000 0.699 607 V HN 0.384 nan 8.190 nan 0.000 0.463 608 D N 0.725 121.158 120.400 0.055 0.000 2.178 608 D HA -0.089 4.891 4.640 0.566 0.000 0.202 608 D C 2.191 178.509 176.300 0.030 0.000 0.974 608 D CA 1.428 55.502 54.000 0.123 0.000 0.841 608 D CB -0.174 40.706 40.800 0.134 0.000 0.953 608 D HN 0.437 nan 8.370 nan 0.000 0.478 609 A N 0.059 122.836 122.820 -0.073 0.000 2.070 609 A HA -0.141 4.519 4.320 0.566 0.000 0.220 609 A C 1.932 179.401 177.584 -0.192 0.000 1.159 609 A CA 0.687 52.649 52.037 -0.124 0.000 0.656 609 A CB -1.099 17.849 19.000 -0.088 0.000 0.800 609 A HN 0.250 nan 8.150 nan 0.000 0.453 610 F N -0.879 118.968 119.950 -0.171 0.000 2.546 610 F HA -0.089 4.779 4.527 0.567 0.000 0.298 610 F C 1.076 176.471 175.800 -0.676 0.000 1.120 610 F CA 0.587 58.299 58.000 -0.480 0.000 1.456 610 F CB -0.088 38.663 39.000 -0.416 0.000 1.088 610 F HN 0.275 nan 8.300 nan 0.000 0.572 611 D N -0.055 120.226 120.400 -0.197 0.000 2.772 611 D HA -0.242 4.738 4.640 0.566 0.000 0.233 611 D C -0.490 175.687 176.300 -0.205 0.000 1.143 611 D CA 0.433 54.316 54.000 -0.195 0.000 0.700 611 D CB -1.526 39.145 40.800 -0.215 0.000 1.076 611 D HN 0.149 nan 8.370 nan 0.000 0.430 612 F N 0.171 120.157 119.950 0.060 0.000 2.412 612 F HA 0.377 5.243 4.527 0.566 0.000 0.348 612 F C 1.392 177.198 175.800 0.010 0.000 1.102 612 F CA -0.477 57.542 58.000 0.031 0.000 1.196 612 F CB 0.776 39.810 39.000 0.057 0.000 1.144 612 F HN -0.350 nan 8.300 nan 0.000 0.541 613 K N 1.751 122.258 120.400 0.177 0.000 2.118 613 K HA 0.148 4.808 4.320 0.566 0.000 0.267 613 K C 0.535 177.189 176.600 0.090 0.000 0.991 613 K CA -0.304 56.026 56.287 0.073 0.000 0.916 613 K CB 0.633 33.139 32.500 0.009 0.000 1.041 613 K HN 0.408 nan 8.250 nan 0.000 0.455 614 D N 1.224 121.663 120.400 0.066 0.000 2.149 614 D HA -0.233 4.747 4.640 0.566 0.000 0.194 614 D C 1.538 177.855 176.300 0.028 0.000 1.001 614 D CA 1.546 55.580 54.000 0.057 0.000 0.849 614 D CB -0.006 40.824 40.800 0.050 0.000 0.939 614 D HN 0.535 nan 8.370 nan 0.000 0.449 615 M N 0.075 119.682 119.600 0.012 0.000 2.149 615 M HA -0.158 4.662 4.480 0.566 0.000 0.261 615 M C 1.837 178.145 176.300 0.013 0.000 1.064 615 M CA 1.378 56.673 55.300 -0.007 0.000 1.102 615 M CB -0.109 32.472 32.600 -0.031 0.000 1.369 615 M HN -0.097 nan 8.290 nan 0.000 0.408 616 T N 0.443 115.020 114.554 0.038 0.000 2.770 616 T HA -0.071 4.619 4.350 0.566 0.000 0.263 616 T C 1.581 176.292 174.700 0.018 0.000 1.039 616 T CA 1.152 63.287 62.100 0.058 0.000 1.142 616 T CB -0.282 68.657 68.868 0.119 0.000 0.868 616 T HN 0.221 nan 8.240 nan 0.000 0.435 617 L N 1.135 122.349 121.223 -0.015 0.000 2.079 617 L HA 0.131 4.811 4.340 0.566 0.000 0.210 617 L C 2.048 178.897 176.870 -0.035 0.000 1.081 617 L CA 1.634 56.427 54.840 -0.079 0.000 0.752 617 L CB -1.436 40.594 42.059 -0.047 0.000 0.896 617 L HN 0.568 nan 8.230 nan 0.000 0.433 618 G N -0.648 108.152 108.800 0.001 0.000 2.305 618 G HA2 -0.282 4.018 3.960 0.566 0.000 0.287 618 G HA3 -0.282 4.018 3.960 0.566 0.000 0.287 618 G C 0.378 175.255 174.900 -0.038 0.000 1.036 618 G CA 0.642 45.751 45.100 0.014 0.000 0.887 618 G HN 0.533 nan 8.290 nan 0.000 0.505 619 S N -1.571 114.090 115.700 -0.066 0.000 2.561 619 S HA 0.583 5.393 4.470 0.566 0.000 0.303 619 S C 1.282 175.799 174.600 -0.138 0.000 1.110 619 S CA -0.018 58.108 58.200 -0.124 0.000 1.034 619 S CB 1.921 65.059 63.200 -0.105 0.000 1.010 619 S HN 0.543 nan 8.310 nan 0.000 0.482 620 V N 6.229 126.000 119.914 -0.238 0.000 2.283 620 V HA -0.104 4.356 4.120 0.566 0.000 0.243 620 V C 2.263 178.264 176.094 -0.155 0.000 1.039 620 V CA 1.697 63.873 62.300 -0.206 0.000 1.016 620 V CB -0.747 30.880 31.823 -0.326 0.000 0.650 620 V HN 0.862 nan 8.190 nan 0.000 0.449 621 L N 0.707 121.805 121.223 -0.209 0.000 2.127 621 L HA -0.094 4.586 4.340 0.566 0.000 0.211 621 L C 2.201 179.064 176.870 -0.011 0.000 1.089 621 L CA 1.721 56.471 54.840 -0.150 0.000 0.757 621 L CB -0.920 40.898 42.059 -0.401 0.000 0.899 621 L HN 0.513 nan 8.230 nan 0.000 0.434 622 G N -0.666 108.112 108.800 -0.036 0.000 3.233 622 G HA2 0.099 4.399 3.960 0.566 0.000 0.234 622 G HA3 0.099 4.399 3.960 0.566 0.000 0.234 622 G C 0.585 175.506 174.900 0.035 0.000 1.137 622 G CA -0.536 44.575 45.100 0.019 0.000 0.763 622 G HN 0.166 nan 8.290 nan 0.000 0.549 623 R N -0.707 119.803 120.500 0.017 0.000 2.644 623 R HA -0.114 4.566 4.340 0.566 0.000 0.265 623 R C 0.952 177.300 176.300 0.079 0.000 0.985 623 R CA -0.100 56.031 56.100 0.052 0.000 1.097 623 R CB 0.344 30.662 30.300 0.030 0.000 0.931 623 R HN 0.317 nan 8.270 nan 0.000 0.419 624 Y N 2.472 122.785 120.300 0.021 0.000 2.181 624 Y HA -0.253 4.637 4.550 0.566 0.000 0.288 624 Y C 1.776 177.683 175.900 0.011 0.000 1.146 624 Y CA 2.411 60.526 58.100 0.024 0.000 1.164 624 Y CB -0.099 38.374 38.460 0.021 0.000 0.982 624 Y HN 0.756 nan 8.280 nan 0.000 0.515 625 D N -1.576 118.857 120.400 0.055 0.000 2.347 625 D HA 0.049 5.028 4.640 0.566 0.000 0.215 625 D C 1.874 178.131 176.300 -0.071 0.000 0.976 625 D CA 0.981 54.971 54.000 -0.017 0.000 0.884 625 D CB -0.691 40.151 40.800 0.070 0.000 0.915 625 D HN 0.456 nan 8.370 nan 0.000 0.526 626 G N 0.234 108.991 108.800 -0.072 0.000 2.184 626 G HA2 -0.363 3.937 3.960 0.566 0.000 0.264 626 G HA3 -0.363 3.937 3.960 0.566 0.000 0.264 626 G C -0.030 174.826 174.900 -0.073 0.000 0.975 626 G CA 0.155 45.208 45.100 -0.079 0.000 0.642 626 G HN 0.508 nan 8.290 nan 0.000 0.536 627 N N 0.724 119.401 118.700 -0.037 0.000 3.178 627 N HA 0.377 5.457 4.740 0.566 0.000 0.300 627 N C 1.609 177.095 175.510 -0.039 0.000 1.242 627 N CA -0.101 52.938 53.050 -0.019 0.000 1.192 627 N CB 0.865 39.365 38.487 0.021 0.000 1.463 627 N HN 0.203 nan 8.380 nan 0.000 0.539 628 V N 0.330 120.159 119.914 -0.142 0.000 2.255 628 V HA -0.269 4.191 4.120 0.566 0.000 0.243 628 V C 1.490 177.522 176.094 -0.104 0.000 1.038 628 V CA 1.484 63.667 62.300 -0.195 0.000 1.008 628 V CB -0.820 30.780 31.823 -0.372 0.000 0.645 628 V HN 0.585 nan 8.190 nan 0.000 0.449 629 Y N 1.005 121.349 120.300 0.074 0.000 2.081 629 Y HA -0.284 4.606 4.550 0.567 0.000 0.280 629 Y C 2.713 178.680 175.900 0.112 0.000 1.163 629 Y CA 1.891 60.040 58.100 0.080 0.000 1.135 629 Y CB -0.387 38.117 38.460 0.073 0.000 0.970 629 Y HN 0.312 nan 8.280 nan 0.000 0.498 630 E N 0.004 120.356 120.200 0.254 0.000 2.077 630 E HA -0.185 4.505 4.350 0.566 0.000 0.193 630 E C 1.853 178.595 176.600 0.236 0.000 0.989 630 E CA 1.114 57.646 56.400 0.221 0.000 0.800 630 E CB -0.232 29.562 29.700 0.156 0.000 0.746 630 E HN 0.499 nan 8.360 nan 0.000 0.452 631 N N 0.954 119.756 118.700 0.170 0.000 2.244 631 N HA -0.126 4.954 4.740 0.566 0.000 0.183 631 N C 1.913 177.538 175.510 0.192 0.000 1.016 631 N CA 0.583 53.727 53.050 0.158 0.000 0.866 631 N CB -0.155 38.387 38.487 0.093 0.000 0.980 631 N HN 0.099 nan 8.380 nan 0.000 0.430 632 L N 0.364 121.685 121.223 0.163 0.000 2.131 632 L HA -0.029 4.651 4.340 0.566 0.000 0.210 632 L C 1.956 179.005 176.870 0.298 0.000 1.092 632 L CA 1.247 56.181 54.840 0.156 0.000 0.759 632 L CB -0.771 41.326 42.059 0.065 0.000 0.903 632 L HN 0.039 nan 8.230 nan 0.000 0.435 633 F N -0.174 119.881 119.950 0.174 0.000 2.128 633 F HA -0.141 4.726 4.527 0.567 0.000 0.295 633 F C 2.378 178.281 175.800 0.172 0.000 1.100 633 F CA 1.327 59.425 58.000 0.163 0.000 1.260 633 F CB 0.030 39.103 39.000 0.122 0.000 1.009 633 F HN 0.071 nan 8.300 nan 0.000 0.476 634 E N -0.024 120.252 120.200 0.127 0.000 2.058 634 E HA -0.299 4.391 4.350 0.566 0.000 0.194 634 E C 1.828 178.460 176.600 0.054 0.000 0.997 634 E CA 1.625 58.045 56.400 0.033 0.000 0.801 634 E CB -1.147 28.635 29.700 0.136 0.000 0.746 634 E HN 0.675 nan 8.360 nan 0.000 0.450 635 W N 1.569 122.876 121.300 0.012 0.000 2.315 635 W HA -0.295 4.705 4.660 0.566 0.000 0.323 635 W C 2.511 179.051 176.519 0.036 0.000 1.233 635 W CA 3.002 60.411 57.345 0.107 0.000 1.267 635 W CB -0.532 29.012 29.460 0.139 0.000 1.160 635 W HN 0.089 nan 8.180 nan 0.000 0.474 636 A N 0.066 123.029 122.820 0.238 0.000 1.902 636 A HA -0.255 4.405 4.320 0.566 0.000 0.217 636 A C 2.035 179.441 177.584 -0.297 0.000 1.181 636 A CA 2.070 54.094 52.037 -0.022 0.000 0.623 636 A CB -1.030 18.038 19.000 0.114 0.000 0.818 636 A HN 0.419 nan 8.150 nan 0.000 0.443 637 K N -0.090 120.081 120.400 -0.381 0.000 2.209 637 K HA -0.107 4.553 4.320 0.566 0.000 0.204 637 K C 1.455 177.854 176.600 -0.335 0.000 1.048 637 K CA 1.478 57.531 56.287 -0.389 0.000 0.940 637 K CB -0.107 32.107 32.500 -0.476 0.000 0.729 637 K HN 0.447 nan 8.250 nan 0.000 0.451 638 K N 0.888 121.062 120.400 -0.376 0.000 2.444 638 K HA 0.015 4.675 4.320 0.566 0.000 0.193 638 K C 0.381 176.482 176.600 -0.832 0.000 1.024 638 K CA 0.124 56.157 56.287 -0.424 0.000 1.077 638 K CB 0.546 32.902 32.500 -0.241 0.000 0.833 638 K HN 0.149 nan 8.250 nan 0.000 0.517 639 S N 1.258 116.330 115.700 -1.047 0.000 2.576 639 S HA 0.115 4.925 4.470 0.566 0.000 0.276 639 S C -1.450 172.740 174.600 -0.682 0.000 1.339 639 S CA -1.281 56.092 58.200 -1.377 0.000 1.039 639 S CB 0.870 63.427 63.200 -1.071 0.000 0.902 639 S HN -0.080 nan 8.310 nan 0.000 0.516 640 P HA -0.203 nan 4.420 nan 0.000 0.218 640 P C 1.371 178.600 177.300 -0.119 0.000 1.152 640 P CA 1.254 64.216 63.100 -0.230 0.000 0.857 640 P CB -0.020 31.609 31.700 -0.118 0.000 0.787 641 L N -1.087 120.070 121.223 -0.110 0.000 2.376 641 L HA -0.007 4.673 4.340 0.566 0.000 0.219 641 L C 1.385 178.243 176.870 -0.021 0.000 1.133 641 L CA 0.813 55.641 54.840 -0.021 0.000 0.816 641 L CB -0.550 41.490 42.059 -0.031 0.000 0.933 641 L HN -0.011 nan 8.230 nan 0.000 0.449 642 N N 0.371 119.012 118.700 -0.099 0.000 2.295 642 N HA -0.016 5.064 4.740 0.566 0.000 0.221 642 N C 1.372 176.829 175.510 -0.087 0.000 1.129 642 N CA 0.105 53.100 53.050 -0.091 0.000 0.836 642 N CB 0.344 38.745 38.487 -0.143 0.000 1.040 642 N HN 0.475 nan 8.380 nan 0.000 0.494 643 K N 0.097 120.455 120.400 -0.070 0.000 2.211 643 K HA -0.063 4.597 4.320 0.566 0.000 0.203 643 K C 0.471 177.050 176.600 -0.035 0.000 1.050 643 K CA 0.883 57.133 56.287 -0.062 0.000 0.945 643 K CB -0.056 32.416 32.500 -0.047 0.000 0.732 643 K HN 0.056 nan 8.250 nan 0.000 0.451 644 T N -2.554 111.993 114.554 -0.012 0.000 2.903 644 T HA 0.271 4.961 4.350 0.566 0.000 0.299 644 T C 0.260 174.970 174.700 0.016 0.000 1.093 644 T CA -1.053 61.048 62.100 0.001 0.000 1.002 644 T CB 2.063 70.935 68.868 0.006 0.000 1.127 644 T HN -0.064 nan 8.240 nan 0.000 0.488 645 E N 0.630 120.838 120.200 0.013 0.000 2.106 645 E HA 0.041 4.731 4.350 0.566 0.000 0.192 645 E C 0.626 177.238 176.600 0.019 0.000 0.984 645 E CA 0.907 57.313 56.400 0.009 0.000 0.806 645 E CB 0.045 29.745 29.700 0.001 0.000 0.750 645 E HN 0.523 nan 8.360 nan 0.000 0.458 646 V N 1.074 121.015 119.914 0.045 0.000 2.459 646 V HA 0.158 4.618 4.120 0.566 0.000 0.295 646 V C -0.479 175.712 176.094 0.162 0.000 1.029 646 V CA -0.749 61.595 62.300 0.073 0.000 0.874 646 V CB 1.490 33.363 31.823 0.082 0.000 0.985 646 V HN 0.129 nan 8.190 nan 0.000 0.438 647 H N 3.046 122.181 119.070 0.109 0.000 2.527 647 H HA 0.462 5.357 4.556 0.566 0.000 0.321 647 H C 1.227 176.691 175.328 0.227 0.000 1.087 647 H CA 0.667 56.796 56.048 0.134 0.000 1.337 647 H CB 1.743 31.568 29.762 0.105 0.000 1.440 647 H HN 0.878 nan 8.280 nan 0.000 0.490 648 E N 2.445 122.563 120.200 -0.137 0.000 2.169 648 E HA -0.291 4.399 4.350 0.566 0.000 0.202 648 E C 2.122 178.827 176.600 0.175 0.000 1.016 648 E CA 1.980 58.400 56.400 0.032 0.000 0.817 648 E CB -1.119 28.496 29.700 -0.142 0.000 0.736 648 E HN 0.786 nan 8.360 nan 0.000 0.462 649 S N -0.890 115.002 115.700 0.320 0.000 2.440 649 S HA -0.214 4.596 4.470 0.566 0.000 0.240 649 S C 2.025 176.794 174.600 0.283 0.000 1.014 649 S CA 1.479 59.915 58.200 0.393 0.000 0.980 649 S CB -0.648 62.870 63.200 0.530 0.000 0.775 649 S HN 0.768 nan 8.310 nan 0.000 0.499 650 Y N 2.766 123.169 120.300 0.172 0.000 2.092 650 Y HA -0.134 4.756 4.550 0.566 0.000 0.282 650 Y C 2.288 178.165 175.900 -0.038 0.000 1.126 650 Y CA 1.938 60.061 58.100 0.039 0.000 1.111 650 Y CB -1.173 37.256 38.460 -0.051 0.000 0.987 650 Y HN 0.324 nan 8.280 nan 0.000 0.489 651 H N 0.038 118.947 119.070 -0.268 0.000 2.353 651 H HA -0.087 4.809 4.556 0.566 0.000 0.298 651 H C 2.347 177.474 175.328 -0.334 0.000 1.103 651 H CA 2.866 58.694 56.048 -0.366 0.000 1.293 651 H CB -0.425 29.267 29.762 -0.117 0.000 1.372 651 H HN 0.406 nan 8.280 nan 0.000 0.501 652 K N 0.654 120.937 120.400 -0.195 0.000 2.155 652 K HA -0.043 4.617 4.320 0.566 0.000 0.203 652 K C 1.560 177.809 176.600 -0.585 0.000 1.052 652 K CA 1.696 57.725 56.287 -0.431 0.000 0.948 652 K CB -0.288 31.849 32.500 -0.605 0.000 0.728 652 K HN 0.574 nan 8.250 nan 0.000 0.448 653 H N -1.880 117.163 119.070 -0.044 0.000 3.205 653 H HA 0.348 5.244 4.556 0.566 0.000 0.252 653 H C 1.834 177.123 175.328 -0.065 0.000 1.015 653 H CA 0.444 56.471 56.048 -0.034 0.000 1.192 653 H CB 0.613 30.383 29.762 0.012 0.000 1.474 653 H HN 0.234 nan 8.280 nan 0.000 0.484 654 L N 0.822 122.013 121.223 -0.053 0.000 2.356 654 L HA 0.152 4.832 4.340 0.566 0.000 0.193 654 L C 1.691 178.415 176.870 -0.242 0.000 1.087 654 L CA 0.514 55.308 54.840 -0.075 0.000 0.817 654 L CB -0.300 41.810 42.059 0.086 0.000 1.035 654 L HN 0.037 nan 8.230 nan 0.000 0.482 655 K N 0.000 119.985 120.400 -0.692 0.000 2.780 655 K HA 0.000 4.660 4.320 0.566 0.000 0.191 655 K CA 0.000 55.922 56.287 -0.608 0.000 0.838 655 K CB 0.000 31.921 32.500 -0.965 0.000 1.064 655 K HN 0.000 nan 8.250 nan 0.000 0.543