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 1uou_1_A DATA FIRST_RESID 33 DATA SEQUENCE PKQLPELIRM KRDGGRLSEA DIRGFVAAVV NGSAQGAQIG AMLMAIRLRG DATA SEQUENCE MDLEETSVLT QALAQSGQQL EWPEAWRQQL VDKHSTGGVG DKVSLVLAPA DATA SEQUENCE LAACGCKVPM ISGRGLGHTG GTLDKLESIP GFNVIQSPEQ MQVLLDQAGC DATA SEQUENCE CIVGQSEQLV PADGILYAAR DVTATVDSLP LITASILSKK LVEGLSALVV DATA SEQUENCE DVKFGXXAVF PNQEQARELA KTLVGVGASL GLRVAAALTA MDKPLGRCVG DATA SEQUENCE HALEVEEALL CMDGAGPPDL RDLVTTLGGA LLWLSGHAGT QAQGAARVAA DATA SEQUENCE ALDDGSALGR FERMLAAQGV DPGLARALCS GSPAERRQLL PRAREQEELL DATA SEQUENCE APADGTVELV RALPLALVLH ELGAXXXXXX XXLRLGVGAE LLVDVGQRLR DATA SEQUENCE RGTPWLRVHR DGPALSGPQS RALQEALVLS DRAPFAAPLP FAELVLPP 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 33 P HA 0.000 nan 4.420 nan 0.000 0.216 33 P C 0.000 177.313 177.300 0.021 0.000 1.155 33 P CA 0.000 63.111 63.100 0.019 0.000 0.800 33 P CB 0.000 31.710 31.700 0.017 0.000 0.726 34 K N 2.348 122.764 120.400 0.027 0.000 2.118 34 K HA 0.564 4.874 4.320 -0.017 0.000 0.267 34 K C 0.049 176.671 176.600 0.037 0.000 0.991 34 K CA -0.744 55.561 56.287 0.029 0.000 0.916 34 K CB 1.512 34.029 32.500 0.029 0.000 1.041 34 K HN 0.543 nan 8.250 nan 0.000 0.455 35 Q N 1.398 121.218 119.800 0.033 0.000 2.417 35 Q HA 0.017 4.347 4.340 -0.017 0.000 0.241 35 Q C 1.234 177.266 176.000 0.054 0.000 1.008 35 Q CA -0.123 55.704 55.803 0.039 0.000 0.901 35 Q CB 0.585 29.341 28.738 0.030 0.000 1.259 35 Q HN 0.505 nan 8.270 nan 0.000 0.489 36 L N 3.198 124.463 121.223 0.069 0.000 2.012 36 L HA -0.161 4.168 4.340 -0.017 0.000 0.210 36 L C -0.801 176.110 176.870 0.068 0.000 1.073 36 L CA 2.154 57.053 54.840 0.099 0.000 0.748 36 L CB -1.439 40.693 42.059 0.122 0.000 0.891 36 L HN 0.605 nan 8.230 nan 0.000 0.431 37 P HA -0.165 nan 4.420 nan 0.000 0.218 37 P C 1.404 178.716 177.300 0.020 0.000 1.148 37 P CA 2.202 65.320 63.100 0.031 0.000 0.822 37 P CB -0.118 31.597 31.700 0.026 0.000 0.784 38 E N 0.720 120.933 120.200 0.022 0.000 2.047 38 E HA -0.173 4.167 4.350 -0.017 0.000 0.191 38 E C 1.992 178.597 176.600 0.007 0.000 0.987 38 E CA 1.887 58.295 56.400 0.014 0.000 0.799 38 E CB -1.784 27.926 29.700 0.016 0.000 0.752 38 E HN 0.376 nan 8.360 nan 0.000 0.449 39 L N -1.018 120.214 121.223 0.014 0.000 2.217 39 L HA 0.155 4.484 4.340 -0.017 0.000 0.211 39 L C 2.576 179.421 176.870 -0.042 0.000 1.107 39 L CA 1.240 56.077 54.840 -0.004 0.000 0.783 39 L CB -0.515 41.555 42.059 0.018 0.000 0.919 39 L HN 0.258 nan 8.230 nan 0.000 0.442 40 I N -0.048 120.501 120.570 -0.034 0.000 2.226 40 I HA -0.243 3.916 4.170 -0.017 0.000 0.245 40 I C 3.012 179.103 176.117 -0.044 0.000 1.100 40 I CA 1.378 62.644 61.300 -0.057 0.000 1.374 40 I CB -0.294 37.692 38.000 -0.023 0.000 1.057 40 I HN 0.350 nan 8.210 nan 0.000 0.413 41 R N 0.914 121.400 120.500 -0.023 0.000 2.081 41 R HA -0.189 4.140 4.340 -0.017 0.000 0.235 41 R C 2.371 178.657 176.300 -0.022 0.000 1.131 41 R CA 1.553 57.643 56.100 -0.017 0.000 0.960 41 R CB -0.152 30.143 30.300 -0.007 0.000 0.856 41 R HN 0.280 nan 8.270 nan 0.000 0.436 42 M N 0.119 119.705 119.600 -0.024 0.000 2.080 42 M HA -0.213 4.256 4.480 -0.017 0.000 0.260 42 M C 2.268 178.548 176.300 -0.033 0.000 1.068 42 M CA 1.783 57.069 55.300 -0.024 0.000 1.109 42 M CB -0.184 32.402 32.600 -0.022 0.000 1.342 42 M HN -0.031 nan 8.290 nan 0.000 0.405 43 K N 0.227 120.597 120.400 -0.050 0.000 2.116 43 K HA -0.056 4.254 4.320 -0.017 0.000 0.203 43 K C 2.023 178.597 176.600 -0.044 0.000 1.052 43 K CA 0.894 57.147 56.287 -0.056 0.000 0.952 43 K CB -0.236 32.209 32.500 -0.090 0.000 0.729 43 K HN 0.052 nan 8.250 nan 0.000 0.446 44 R N 0.886 121.361 120.500 -0.041 0.000 2.127 44 R HA -0.130 4.199 4.340 -0.017 0.000 0.238 44 R C -0.034 176.254 176.300 -0.020 0.000 1.134 44 R CA 1.814 57.897 56.100 -0.029 0.000 0.975 44 R CB -0.369 29.917 30.300 -0.024 0.000 0.865 44 R HN 0.168 nan 8.270 nan 0.000 0.447 45 D N -0.570 119.818 120.400 -0.019 0.000 2.319 45 D HA 0.139 4.769 4.640 -0.017 0.000 0.230 45 D C 0.821 177.112 176.300 -0.014 0.000 1.094 45 D CA 0.862 54.854 54.000 -0.014 0.000 0.856 45 D CB 0.333 41.126 40.800 -0.012 0.000 0.915 45 D HN 0.527 nan 8.370 nan 0.000 0.517 46 G N 0.291 109.080 108.800 -0.018 0.000 2.157 46 G HA2 -0.196 3.754 3.960 -0.017 0.000 0.248 46 G HA3 -0.196 3.754 3.960 -0.017 0.000 0.248 46 G C 0.762 175.651 174.900 -0.017 0.000 0.979 46 G CA -0.074 45.016 45.100 -0.017 0.000 0.650 46 G HN 0.591 nan 8.290 nan 0.000 0.529 47 G N -0.371 108.418 108.800 -0.019 0.000 2.539 47 G HA2 0.584 4.533 3.960 -0.017 0.000 0.258 47 G HA3 0.584 4.533 3.960 -0.017 0.000 0.258 47 G C 0.254 175.142 174.900 -0.021 0.000 1.202 47 G CA 0.034 45.124 45.100 -0.017 0.000 0.851 47 G HN 0.998 nan 8.290 nan 0.000 0.556 48 R N 1.279 121.769 120.500 -0.016 0.000 2.265 48 R HA 0.485 4.815 4.340 -0.017 0.000 0.319 48 R C -0.697 175.594 176.300 -0.015 0.000 1.006 48 R CA -0.746 55.344 56.100 -0.015 0.000 0.880 48 R CB 0.806 31.100 30.300 -0.010 0.000 1.077 48 R HN 0.321 nan 8.270 nan 0.000 0.454 49 L N 3.670 124.882 121.223 -0.019 0.000 2.349 49 L HA 0.222 4.552 4.340 -0.017 0.000 0.275 49 L C 0.872 177.740 176.870 -0.002 0.000 1.115 49 L CA -0.433 54.397 54.840 -0.015 0.000 0.820 49 L CB 1.555 43.597 42.059 -0.028 0.000 1.135 49 L HN 0.963 nan 8.230 nan 0.000 0.445 50 S N 1.143 116.845 115.700 0.004 0.000 2.625 50 S HA 0.036 4.496 4.470 -0.017 0.000 0.258 50 S C 0.913 175.523 174.600 0.017 0.000 1.256 50 S CA -0.153 58.052 58.200 0.010 0.000 0.983 50 S CB 0.761 63.967 63.200 0.011 0.000 1.032 50 S HN 0.764 nan 8.310 nan 0.000 0.572 51 E N 0.122 120.333 120.200 0.019 0.000 2.112 51 E HA -0.009 4.331 4.350 -0.017 0.000 0.190 51 E C 2.074 178.693 176.600 0.031 0.000 0.979 51 E CA 0.767 57.182 56.400 0.025 0.000 0.814 51 E CB -0.561 29.151 29.700 0.021 0.000 0.762 51 E HN 0.761 nan 8.360 nan 0.000 0.460 52 A N 1.155 123.991 122.820 0.027 0.000 1.969 52 A HA -0.168 4.141 4.320 -0.017 0.000 0.218 52 A C 1.692 179.302 177.584 0.043 0.000 1.169 52 A CA 1.579 53.634 52.037 0.031 0.000 0.635 52 A CB -0.343 18.671 19.000 0.024 0.000 0.810 52 A HN 0.251 nan 8.150 nan 0.000 0.445 53 D N 0.332 120.757 120.400 0.041 0.000 2.084 53 D HA -0.130 4.500 4.640 -0.017 0.000 0.194 53 D C 1.968 178.319 176.300 0.085 0.000 0.990 53 D CA 1.113 55.144 54.000 0.051 0.000 0.826 53 D CB -0.284 40.532 40.800 0.026 0.000 0.971 53 D HN 0.367 nan 8.370 nan 0.000 0.453 54 I N 0.831 121.446 120.570 0.075 0.000 2.163 54 I HA -0.223 3.937 4.170 -0.017 0.000 0.243 54 I C 2.379 178.588 176.117 0.153 0.000 1.085 54 I CA 1.135 62.502 61.300 0.111 0.000 1.347 54 I CB -0.711 37.333 38.000 0.073 0.000 1.044 54 I HN 0.031 nan 8.210 nan 0.000 0.408 55 R N 0.594 121.152 120.500 0.096 0.000 2.096 55 R HA -0.096 4.234 4.340 -0.017 0.000 0.235 55 R C 2.466 178.807 176.300 0.069 0.000 1.127 55 R CA 1.316 57.459 56.100 0.072 0.000 0.968 55 R CB -0.633 29.694 30.300 0.045 0.000 0.861 55 R HN 0.464 nan 8.270 nan 0.000 0.440 56 G N 0.873 109.723 108.800 0.083 0.000 2.421 56 G HA2 -0.312 3.637 3.960 -0.017 0.000 0.216 56 G HA3 -0.312 3.637 3.960 -0.017 0.000 0.216 56 G C 1.211 176.170 174.900 0.097 0.000 1.171 56 G CA 0.550 45.696 45.100 0.076 0.000 0.775 56 G HN 0.282 nan 8.290 nan 0.000 0.543 57 F N 1.362 121.318 119.950 0.010 0.000 2.075 57 F HA -0.090 4.427 4.527 -0.018 0.000 0.297 57 F C 2.696 178.504 175.800 0.013 0.000 1.113 57 F CA 1.608 59.615 58.000 0.011 0.000 1.218 57 F CB -0.550 38.457 39.000 0.012 0.000 0.984 57 F HN 0.003 nan 8.300 nan 0.000 0.472 58 V N 0.738 120.607 119.914 -0.075 0.000 2.332 58 V HA -0.313 3.796 4.120 -0.017 0.000 0.248 58 V C 2.759 178.745 176.094 -0.179 0.000 1.055 58 V CA 1.924 64.120 62.300 -0.172 0.000 1.038 58 V CB -1.572 30.267 31.823 0.027 0.000 0.651 58 V HN 0.524 nan 8.190 nan 0.000 0.450 59 A N -0.441 122.323 122.820 -0.093 0.000 2.015 59 A HA 0.007 4.316 4.320 -0.017 0.000 0.219 59 A C 2.333 179.857 177.584 -0.099 0.000 1.163 59 A CA 1.762 53.756 52.037 -0.071 0.000 0.646 59 A CB -0.507 18.476 19.000 -0.029 0.000 0.806 59 A HN 0.564 nan 8.150 nan 0.000 0.448 60 A N -0.650 122.087 122.820 -0.139 0.000 1.970 60 A HA 0.134 4.443 4.320 -0.017 0.000 0.216 60 A C 2.134 179.596 177.584 -0.203 0.000 1.170 60 A CA 1.322 53.275 52.037 -0.140 0.000 0.645 60 A CB -0.676 18.262 19.000 -0.103 0.000 0.816 60 A HN 0.305 nan 8.150 nan 0.000 0.447 61 V N -0.187 119.518 119.914 -0.350 0.000 2.332 61 V HA -0.244 3.865 4.120 -0.017 0.000 0.248 61 V C 2.561 178.558 176.094 -0.161 0.000 1.055 61 V CA 2.140 64.254 62.300 -0.310 0.000 1.038 61 V CB -0.730 30.834 31.823 -0.431 0.000 0.651 61 V HN 0.375 nan 8.190 nan 0.000 0.450 62 V N 1.877 121.710 119.914 -0.134 0.000 2.427 62 V HA -0.200 3.910 4.120 -0.017 0.000 0.248 62 V C 2.044 178.102 176.094 -0.061 0.000 1.051 62 V CA 2.243 64.496 62.300 -0.080 0.000 1.048 62 V CB -0.995 30.790 31.823 -0.063 0.000 0.666 62 V HN 0.918 nan 8.190 nan 0.000 0.456 63 N N 0.016 118.678 118.700 -0.063 0.000 2.353 63 N HA 0.240 4.970 4.740 -0.017 0.000 0.185 63 N C 1.278 176.765 175.510 -0.038 0.000 1.098 63 N CA 1.035 54.059 53.050 -0.043 0.000 0.872 63 N CB 0.608 39.073 38.487 -0.036 0.000 0.970 63 N HN 0.394 nan 8.380 nan 0.000 0.467 64 G N -1.214 107.558 108.800 -0.047 0.000 2.195 64 G HA2 -0.308 3.641 3.960 -0.017 0.000 0.224 64 G HA3 -0.308 3.641 3.960 -0.017 0.000 0.224 64 G C 1.096 175.978 174.900 -0.031 0.000 0.990 64 G CA 0.332 45.411 45.100 -0.035 0.000 0.639 64 G HN 0.309 nan 8.290 nan 0.000 0.514 65 S N 0.369 116.046 115.700 -0.037 0.000 2.371 65 S HA 0.340 4.800 4.470 -0.017 0.000 0.224 65 S C 1.756 176.345 174.600 -0.017 0.000 1.029 65 S CA 1.071 59.257 58.200 -0.023 0.000 0.978 65 S CB -0.099 63.088 63.200 -0.022 0.000 0.833 65 S HN 1.694 nan 8.310 nan 0.000 0.466 66 A N 2.986 125.780 122.820 -0.043 0.000 2.489 66 A HA 0.207 4.517 4.320 -0.017 0.000 0.289 66 A C 0.319 177.900 177.584 -0.006 0.000 1.216 66 A CA -0.198 51.826 52.037 -0.022 0.000 0.883 66 A CB -0.281 18.654 19.000 -0.109 0.000 1.110 66 A HN 0.502 nan 8.150 nan 0.000 0.523 67 Q N 1.543 121.355 119.800 0.018 0.000 2.474 67 Q HA 0.272 4.601 4.340 -0.017 0.000 0.256 67 Q C 1.665 177.684 176.000 0.033 0.000 1.048 67 Q CA 0.216 56.031 55.803 0.020 0.000 0.922 67 Q CB 0.401 29.154 28.738 0.024 0.000 1.288 67 Q HN 0.771 nan 8.270 nan 0.000 0.484 68 G N 1.216 110.033 108.800 0.028 0.000 2.556 68 G HA2 -0.384 3.565 3.960 -0.017 0.000 0.220 68 G HA3 -0.384 3.565 3.960 -0.017 0.000 0.220 68 G C 1.322 176.251 174.900 0.048 0.000 1.156 68 G CA 1.133 46.255 45.100 0.037 0.000 0.766 68 G HN 0.734 nan 8.290 nan 0.000 0.583 69 A N 0.065 122.911 122.820 0.043 0.000 1.933 69 A HA -0.057 4.252 4.320 -0.017 0.000 0.218 69 A C 2.368 179.987 177.584 0.059 0.000 1.175 69 A CA 1.921 53.985 52.037 0.045 0.000 0.628 69 A CB -0.354 18.667 19.000 0.035 0.000 0.814 69 A HN 0.521 nan 8.150 nan 0.000 0.444 70 Q N -0.559 119.285 119.800 0.073 0.000 2.119 70 Q HA -0.052 4.278 4.340 -0.017 0.000 0.201 70 Q C 1.992 178.093 176.000 0.168 0.000 0.972 70 Q CA 1.330 57.196 55.803 0.106 0.000 0.847 70 Q CB -0.290 28.516 28.738 0.114 0.000 0.903 70 Q HN 0.748 nan 8.270 nan 0.000 0.433 71 I N 0.504 121.176 120.570 0.170 0.000 2.202 71 I HA -0.171 3.988 4.170 -0.017 0.000 0.242 71 I C 2.397 178.609 176.117 0.158 0.000 1.091 71 I CA 1.158 62.597 61.300 0.232 0.000 1.368 71 I CB -0.691 37.395 38.000 0.144 0.000 1.058 71 I HN 0.250 nan 8.210 nan 0.000 0.410 72 G N 0.637 109.495 108.800 0.097 0.000 2.440 72 G HA2 -0.258 3.692 3.960 -0.017 0.000 0.218 72 G HA3 -0.258 3.692 3.960 -0.017 0.000 0.218 72 G C 1.847 176.776 174.900 0.049 0.000 1.154 72 G CA 0.905 46.044 45.100 0.065 0.000 0.767 72 G HN 0.497 nan 8.290 nan 0.000 0.552 73 A N 0.092 122.942 122.820 0.049 0.000 1.930 73 A HA 0.104 4.414 4.320 -0.017 0.000 0.217 73 A C 2.287 179.868 177.584 -0.004 0.000 1.175 73 A CA 2.114 54.165 52.037 0.024 0.000 0.627 73 A CB -0.278 18.738 19.000 0.027 0.000 0.815 73 A HN 0.433 nan 8.150 nan 0.000 0.443 74 M N -0.457 119.137 119.600 -0.010 0.000 2.236 74 M HA 0.146 4.616 4.480 -0.017 0.000 0.266 74 M C 1.708 177.943 176.300 -0.109 0.000 1.070 74 M CA 1.347 56.567 55.300 -0.133 0.000 1.137 74 M CB -0.521 31.861 32.600 -0.363 0.000 1.378 74 M HN 0.300 nan 8.290 nan 0.000 0.426 75 L N -0.477 120.735 121.223 -0.018 0.000 2.046 75 L HA -0.203 4.126 4.340 -0.017 0.000 0.208 75 L C 2.530 179.392 176.870 -0.012 0.000 1.077 75 L CA 1.394 56.235 54.840 0.002 0.000 0.747 75 L CB -0.745 41.343 42.059 0.048 0.000 0.896 75 L HN 0.442 nan 8.230 nan 0.000 0.432 76 M N -0.077 119.519 119.600 -0.007 0.000 2.200 76 M HA -0.034 4.435 4.480 -0.017 0.000 0.265 76 M C 2.232 178.521 176.300 -0.017 0.000 1.066 76 M CA 1.846 57.143 55.300 -0.006 0.000 1.127 76 M CB -0.454 32.146 32.600 0.001 0.000 1.379 76 M HN 0.131 nan 8.290 nan 0.000 0.420 77 A N 0.286 123.086 122.820 -0.032 0.000 1.908 77 A HA -0.133 4.177 4.320 -0.017 0.000 0.218 77 A C 2.210 179.766 177.584 -0.047 0.000 1.181 77 A CA 2.054 54.065 52.037 -0.043 0.000 0.627 77 A CB -1.104 17.858 19.000 -0.063 0.000 0.818 77 A HN 0.593 nan 8.150 nan 0.000 0.445 78 I N -1.141 119.393 120.570 -0.060 0.000 2.252 78 I HA -0.210 3.949 4.170 -0.017 0.000 0.245 78 I C 2.624 178.730 176.117 -0.018 0.000 1.102 78 I CA 1.516 62.787 61.300 -0.049 0.000 1.385 78 I CB -0.205 37.758 38.000 -0.062 0.000 1.064 78 I HN 0.270 nan 8.210 nan 0.000 0.414 79 R N 1.375 121.870 120.500 -0.009 0.000 2.105 79 R HA -0.118 4.212 4.340 -0.017 0.000 0.239 79 R C 1.884 178.192 176.300 0.013 0.000 1.135 79 R CA 1.827 57.933 56.100 0.010 0.000 0.967 79 R CB -0.611 29.695 30.300 0.009 0.000 0.861 79 R HN 0.343 nan 8.270 nan 0.000 0.442 80 L N -0.954 120.270 121.223 0.001 0.000 2.408 80 L HA 0.178 4.508 4.340 -0.017 0.000 0.215 80 L C 1.845 178.713 176.870 -0.003 0.000 1.081 80 L CA 0.292 55.134 54.840 0.002 0.000 0.840 80 L CB 0.035 42.093 42.059 -0.000 0.000 1.002 80 L HN 0.037 nan 8.230 nan 0.000 0.468 81 R N -0.077 120.416 120.500 -0.011 0.000 2.335 81 R HA 0.303 4.633 4.340 -0.017 0.000 0.210 81 R C 0.580 176.871 176.300 -0.015 0.000 0.892 81 R CA 0.623 56.714 56.100 -0.014 0.000 1.048 81 R CB 0.557 30.844 30.300 -0.021 0.000 1.067 81 R HN 0.276 nan 8.270 nan 0.000 0.524 82 G N 1.507 110.300 108.800 -0.012 0.000 2.829 82 G HA2 -0.273 3.677 3.960 -0.017 0.000 0.628 82 G HA3 -0.273 3.677 3.960 -0.017 0.000 0.628 82 G C -0.478 174.413 174.900 -0.014 0.000 1.412 82 G CA -0.367 44.728 45.100 -0.009 0.000 0.864 82 G HN 0.105 nan 8.290 nan 0.000 0.544 83 M N 0.333 119.927 119.600 -0.009 0.000 2.550 83 M HA 0.395 4.865 4.480 -0.017 0.000 0.292 83 M C -0.470 175.827 176.300 -0.006 0.000 1.221 83 M CA -0.867 54.427 55.300 -0.010 0.000 0.873 83 M CB 2.400 34.996 32.600 -0.007 0.000 1.727 83 M HN 0.696 nan 8.290 nan 0.000 0.459 84 D N 0.589 120.985 120.400 -0.006 0.000 2.437 84 D HA 0.408 5.037 4.640 -0.017 0.000 0.259 84 D C 0.819 177.120 176.300 0.001 0.000 1.118 84 D CA -0.312 53.686 54.000 -0.004 0.000 1.017 84 D CB 1.644 42.441 40.800 -0.006 0.000 1.120 84 D HN 0.578 nan 8.370 nan 0.000 0.541 85 L N 0.575 121.799 121.223 0.002 0.000 2.131 85 L HA -0.140 4.190 4.340 -0.017 0.000 0.210 85 L C 2.269 179.144 176.870 0.009 0.000 1.092 85 L CA 0.870 55.714 54.840 0.006 0.000 0.759 85 L CB -0.300 41.763 42.059 0.006 0.000 0.903 85 L HN 0.419 nan 8.230 nan 0.000 0.435 86 E N 0.711 120.915 120.200 0.007 0.000 2.051 86 E HA -0.227 4.113 4.350 -0.017 0.000 0.192 86 E C 2.049 178.655 176.600 0.011 0.000 0.991 86 E CA 1.389 57.794 56.400 0.009 0.000 0.799 86 E CB 0.049 29.753 29.700 0.006 0.000 0.748 86 E HN 0.521 nan 8.360 nan 0.000 0.449 87 E N -0.636 119.569 120.200 0.008 0.000 2.072 87 E HA -0.111 4.228 4.350 -0.017 0.000 0.191 87 E C 2.041 178.650 176.600 0.015 0.000 0.985 87 E CA 1.478 57.884 56.400 0.009 0.000 0.801 87 E CB 0.010 29.710 29.700 0.001 0.000 0.750 87 E HN 0.208 nan 8.360 nan 0.000 0.452 88 T N 0.255 114.818 114.554 0.015 0.000 2.708 88 T HA -0.181 4.158 4.350 -0.017 0.000 0.266 88 T C 2.025 176.741 174.700 0.026 0.000 1.037 88 T CA 1.347 63.460 62.100 0.022 0.000 1.146 88 T CB -0.343 68.537 68.868 0.020 0.000 0.865 88 T HN 0.081 nan 8.240 nan 0.000 0.435 89 S N 0.597 116.310 115.700 0.022 0.000 2.368 89 S HA -0.161 4.299 4.470 -0.017 0.000 0.226 89 S C 2.156 176.772 174.600 0.027 0.000 1.044 89 S CA 1.673 59.888 58.200 0.024 0.000 1.062 89 S CB -0.629 62.583 63.200 0.020 0.000 0.931 89 S HN 0.307 nan 8.310 nan 0.000 0.440 90 V N 2.073 122.003 119.914 0.026 0.000 2.407 90 V HA -0.107 4.003 4.120 -0.017 0.000 0.248 90 V C 2.405 178.523 176.094 0.040 0.000 1.055 90 V CA 1.769 64.088 62.300 0.030 0.000 1.049 90 V CB -0.717 31.123 31.823 0.028 0.000 0.662 90 V HN 0.517 nan 8.190 nan 0.000 0.455 91 L N -0.143 121.106 121.223 0.044 0.000 2.042 91 L HA -0.237 4.092 4.340 -0.017 0.000 0.210 91 L C 2.573 179.477 176.870 0.057 0.000 1.076 91 L CA 2.299 57.175 54.840 0.060 0.000 0.749 91 L CB -0.496 41.597 42.059 0.058 0.000 0.893 91 L HN 0.418 nan 8.230 nan 0.000 0.432 92 T N -0.867 113.714 114.554 0.045 0.000 2.701 92 T HA -0.235 4.105 4.350 -0.017 0.000 0.263 92 T C 1.753 176.477 174.700 0.039 0.000 1.040 92 T CA 1.423 63.548 62.100 0.042 0.000 1.147 92 T CB -0.205 68.683 68.868 0.035 0.000 0.865 92 T HN 0.429 nan 8.240 nan 0.000 0.426 93 Q N 0.674 120.495 119.800 0.035 0.000 2.152 93 Q HA -0.106 4.224 4.340 -0.017 0.000 0.206 93 Q C 2.640 178.659 176.000 0.032 0.000 0.985 93 Q CA 1.538 57.360 55.803 0.031 0.000 0.863 93 Q CB -0.327 28.427 28.738 0.027 0.000 0.904 93 Q HN 0.566 nan 8.270 nan 0.000 0.422 94 A N 0.579 123.423 122.820 0.039 0.000 1.929 94 A HA -0.081 4.228 4.320 -0.017 0.000 0.216 94 A C 2.039 179.645 177.584 0.037 0.000 1.176 94 A CA 0.799 52.860 52.037 0.040 0.000 0.628 94 A CB -0.438 18.596 19.000 0.057 0.000 0.816 94 A HN 0.254 nan 8.150 nan 0.000 0.444 95 L N -0.734 120.517 121.223 0.045 0.000 2.056 95 L HA -0.130 4.200 4.340 -0.017 0.000 0.207 95 L C 3.064 179.953 176.870 0.032 0.000 1.078 95 L CA 0.942 55.807 54.840 0.042 0.000 0.749 95 L CB -0.629 41.464 42.059 0.057 0.000 0.901 95 L HN 0.408 nan 8.230 nan 0.000 0.433 96 A N -0.221 122.619 122.820 0.033 0.000 1.908 96 A HA -0.246 4.063 4.320 -0.017 0.000 0.218 96 A C 2.147 179.742 177.584 0.018 0.000 1.181 96 A CA 1.636 53.690 52.037 0.029 0.000 0.627 96 A CB -0.412 18.606 19.000 0.031 0.000 0.818 96 A HN 0.507 nan 8.150 nan 0.000 0.445 97 Q N -0.149 119.660 119.800 0.016 0.000 2.360 97 Q HA 0.010 4.339 4.340 -0.017 0.000 0.202 97 Q C 1.874 177.875 176.000 0.002 0.000 0.915 97 Q CA 0.616 56.423 55.803 0.007 0.000 0.943 97 Q CB 0.077 28.821 28.738 0.009 0.000 1.064 97 Q HN 0.832 nan 8.270 nan 0.000 0.511 98 S N -1.007 114.695 115.700 0.003 0.000 2.507 98 S HA 0.031 4.490 4.470 -0.017 0.000 0.235 98 S C 0.911 175.505 174.600 -0.009 0.000 0.988 98 S CA 0.476 58.673 58.200 -0.005 0.000 0.944 98 S CB 0.215 63.412 63.200 -0.006 0.000 0.762 98 S HN 0.310 nan 8.310 nan 0.000 0.526 99 G N -0.392 108.404 108.800 -0.006 0.000 3.135 99 G HA2 0.558 4.508 3.960 -0.017 0.000 0.278 99 G HA3 0.558 4.508 3.960 -0.017 0.000 0.278 99 G C -1.520 173.371 174.900 -0.016 0.000 1.302 99 G CA -1.011 44.082 45.100 -0.011 0.000 0.880 99 G HN 0.337 nan 8.290 nan 0.000 0.574 100 Q N -0.292 119.494 119.800 -0.023 0.000 2.306 100 Q HA 0.382 4.711 4.340 -0.017 0.000 0.241 100 Q C -0.365 175.613 176.000 -0.037 0.000 0.948 100 Q CA -0.255 55.526 55.803 -0.038 0.000 0.886 100 Q CB 1.487 30.193 28.738 -0.054 0.000 1.227 100 Q HN 0.483 nan 8.270 nan 0.000 0.457 101 Q N 1.735 121.507 119.800 -0.048 0.000 2.261 101 Q HA 0.320 4.649 4.340 -0.017 0.000 0.252 101 Q C -1.467 174.463 176.000 -0.117 0.000 0.915 101 Q CA -0.093 55.679 55.803 -0.051 0.000 0.915 101 Q CB 0.679 29.394 28.738 -0.037 0.000 1.204 101 Q HN 0.529 nan 8.270 nan 0.000 0.421 102 L N 3.457 124.595 121.223 -0.142 0.000 2.357 102 L HA 0.484 4.813 4.340 -0.017 0.000 0.273 102 L C 0.084 176.630 176.870 -0.540 0.000 1.080 102 L CA -0.467 54.159 54.840 -0.357 0.000 0.803 102 L CB 1.126 43.005 42.059 -0.301 0.000 1.174 102 L HN 0.681 nan 8.230 nan 0.000 0.443 103 E N 2.097 121.792 120.200 -0.842 0.000 2.293 103 E HA 0.388 4.728 4.350 -0.017 0.000 0.270 103 E C -1.702 174.362 176.600 -0.893 0.000 0.879 103 E CA -0.507 55.486 56.400 -0.679 0.000 0.756 103 E CB 2.428 31.926 29.700 -0.337 0.000 1.208 103 E HN 0.394 nan 8.360 nan 0.000 0.428 104 W N 1.502 122.779 121.300 -0.039 0.000 2.882 104 W HA 0.403 5.054 4.660 -0.015 0.000 0.345 104 W C -1.993 174.375 176.519 -0.251 0.000 1.125 104 W CA -1.893 55.374 57.345 -0.131 0.000 1.167 104 W CB 0.146 29.646 29.460 0.067 0.000 1.431 104 W HN 0.265 nan 8.180 nan 0.000 0.543 105 P HA 0.100 nan 4.420 nan 0.000 0.264 105 P C 0.681 177.889 177.300 -0.154 0.000 1.193 105 P CA 0.650 63.555 63.100 -0.325 0.000 0.763 105 P CB 0.493 31.814 31.700 -0.632 0.000 0.810 106 E N 3.041 123.206 120.200 -0.059 0.000 2.147 106 E HA -0.265 4.074 4.350 -0.017 0.000 0.199 106 E C 2.028 178.665 176.600 0.063 0.000 1.005 106 E CA 2.110 58.522 56.400 0.019 0.000 0.810 106 E CB -1.174 28.533 29.700 0.010 0.000 0.736 106 E HN 0.636 nan 8.360 nan 0.000 0.460 107 A N -0.729 122.114 122.820 0.038 0.000 2.076 107 A HA -0.033 4.276 4.320 -0.017 0.000 0.220 107 A C 1.906 179.684 177.584 0.323 0.000 1.160 107 A CA 1.462 53.583 52.037 0.139 0.000 0.653 107 A CB -0.631 18.446 19.000 0.128 0.000 0.801 107 A HN 0.702 nan 8.150 nan 0.000 0.455 108 W N -0.353 120.976 121.300 0.048 0.000 3.077 108 W HA 0.219 4.871 4.660 -0.014 0.000 0.266 108 W C 2.014 178.539 176.519 0.010 0.000 1.300 108 W CA -0.461 56.890 57.345 0.009 0.000 1.586 108 W CB -0.630 28.815 29.460 -0.026 0.000 1.103 108 W HN 0.469 nan 8.180 nan 0.000 0.652 109 R N 1.302 121.961 120.500 0.264 0.000 2.162 109 R HA -0.313 4.016 4.340 -0.017 0.000 0.245 109 R C 1.958 178.339 176.300 0.136 0.000 1.129 109 R CA 2.665 58.876 56.100 0.185 0.000 0.940 109 R CB -0.705 29.677 30.300 0.136 0.000 0.875 109 R HN 0.214 nan 8.270 nan 0.000 0.437 110 Q N -0.736 119.139 119.800 0.124 0.000 2.472 110 Q HA -0.106 4.224 4.340 -0.017 0.000 0.208 110 Q C 1.254 177.378 176.000 0.208 0.000 0.958 110 Q CA 0.903 56.772 55.803 0.110 0.000 0.932 110 Q CB 0.436 29.209 28.738 0.060 0.000 1.007 110 Q HN 0.402 nan 8.270 nan 0.000 0.508 111 Q N -0.412 119.475 119.800 0.145 0.000 2.408 111 Q HA 0.204 4.534 4.340 -0.017 0.000 0.205 111 Q C -0.415 175.538 176.000 -0.078 0.000 0.919 111 Q CA 0.210 56.025 55.803 0.019 0.000 0.932 111 Q CB 0.560 29.228 28.738 -0.117 0.000 1.058 111 Q HN 0.282 nan 8.270 nan 0.000 0.517 112 L N 1.544 122.739 121.223 -0.047 0.000 2.385 112 L HA 0.238 4.567 4.340 -0.017 0.000 0.281 112 L C -0.222 176.625 176.870 -0.039 0.000 1.106 112 L CA -0.558 54.217 54.840 -0.107 0.000 0.856 112 L CB 0.152 42.151 42.059 -0.100 0.000 1.186 112 L HN -0.078 nan 8.230 nan 0.000 0.453 113 V N -0.421 119.459 119.914 -0.057 0.000 3.159 113 V HA 0.806 4.915 4.120 -0.017 0.000 0.308 113 V C -1.296 174.796 176.094 -0.003 0.000 1.190 113 V CA -0.649 61.647 62.300 -0.007 0.000 1.037 113 V CB 2.502 34.329 31.823 0.006 0.000 1.060 113 V HN 0.567 nan 8.190 nan 0.000 0.437 114 D N 0.581 121.001 120.400 0.034 0.000 2.599 114 D HA 0.527 5.157 4.640 -0.017 0.000 0.252 114 D C -1.823 174.519 176.300 0.070 0.000 1.232 114 D CA -0.388 53.642 54.000 0.050 0.000 0.819 114 D CB 2.567 43.415 40.800 0.080 0.000 1.401 114 D HN 0.810 nan 8.370 nan 0.000 0.429 115 K N 1.716 122.159 120.400 0.072 0.000 2.578 115 K HA 0.322 4.632 4.320 -0.017 0.000 0.250 115 K C -1.829 174.827 176.600 0.093 0.000 0.955 115 K CA -0.470 55.865 56.287 0.080 0.000 0.825 115 K CB 0.836 33.362 32.500 0.043 0.000 1.151 115 K HN 0.685 nan 8.250 nan 0.000 0.432 116 H N 0.339 119.444 119.070 0.057 0.000 2.569 116 H HA 0.453 4.999 4.556 -0.016 0.000 0.357 116 H C -0.998 174.369 175.328 0.065 0.000 1.153 116 H CA -0.168 55.919 56.048 0.065 0.000 1.193 116 H CB 1.785 31.591 29.762 0.074 0.000 1.602 116 H HN 0.515 nan 8.280 nan 0.000 0.523 117 S N 0.864 116.630 115.700 0.111 0.000 2.537 117 S HA 0.148 4.607 4.470 -0.017 0.000 0.301 117 S C 0.873 175.626 174.600 0.255 0.000 1.092 117 S CA -0.147 58.144 58.200 0.151 0.000 1.048 117 S CB 0.894 64.121 63.200 0.045 0.000 1.053 117 S HN 0.844 nan 8.310 nan 0.000 0.501 118 T N 0.501 115.165 114.554 0.183 0.000 3.129 118 T HA 0.481 4.820 4.350 -0.017 0.000 0.251 118 T C 0.851 175.602 174.700 0.085 0.000 1.117 118 T CA 0.350 62.536 62.100 0.143 0.000 1.034 118 T CB -0.642 68.302 68.868 0.127 0.000 0.968 118 T HN 1.518 nan 8.240 nan 0.000 0.526 119 G N -1.106 107.744 108.800 0.084 0.000 3.055 119 G HA2 0.441 4.390 3.960 -0.017 0.000 0.685 119 G HA3 0.441 4.390 3.960 -0.017 0.000 0.685 119 G C -0.368 174.567 174.900 0.058 0.000 1.212 119 G CA -0.601 44.533 45.100 0.056 0.000 0.822 119 G HN 1.089 nan 8.290 nan 0.000 0.610 120 G N -0.714 108.120 108.800 0.056 0.000 2.720 120 G HA2 0.744 4.694 3.960 -0.017 0.000 0.295 120 G HA3 0.744 4.694 3.960 -0.017 0.000 0.295 120 G C -0.639 174.292 174.900 0.051 0.000 1.437 120 G CA -0.087 45.045 45.100 0.055 0.000 0.886 120 G HN 1.471 nan 8.290 nan 0.000 0.509 121 V N 1.361 121.304 119.914 0.049 0.000 2.521 121 V HA 0.457 4.567 4.120 -0.017 0.000 0.286 121 V C 1.623 177.723 176.094 0.010 0.000 1.034 121 V CA 1.602 63.922 62.300 0.035 0.000 1.045 121 V CB 0.750 32.586 31.823 0.023 0.000 0.974 121 V HN 2.148 nan 8.190 nan 0.000 0.480 122 G N 3.979 112.778 108.800 -0.001 0.000 2.166 122 G HA2 -0.243 3.706 3.960 -0.017 0.000 0.260 122 G HA3 -0.243 3.706 3.960 -0.017 0.000 0.260 122 G C 0.174 175.065 174.900 -0.015 0.000 0.986 122 G CA 0.337 45.427 45.100 -0.017 0.000 0.683 122 G HN 0.834 nan 8.290 nan 0.000 0.527 123 D N 0.904 121.302 120.400 -0.004 0.000 2.402 123 D HA 0.251 4.881 4.640 -0.017 0.000 0.235 123 D C 1.452 177.742 176.300 -0.017 0.000 1.226 123 D CA -0.152 53.843 54.000 -0.008 0.000 0.918 123 D CB 0.114 40.916 40.800 0.004 0.000 1.043 123 D HN 0.541 nan 8.370 nan 0.000 0.506 124 K N 2.704 123.084 120.400 -0.032 0.000 2.498 124 K HA 0.089 4.398 4.320 -0.017 0.000 0.207 124 K C 0.797 177.361 176.600 -0.060 0.000 1.033 124 K CA -0.330 55.930 56.287 -0.046 0.000 1.138 124 K CB 0.328 32.792 32.500 -0.059 0.000 0.860 124 K HN 0.111 nan 8.250 nan 0.000 0.490 125 V N 1.193 121.078 119.914 -0.048 0.000 2.343 125 V HA -0.247 3.863 4.120 -0.017 0.000 0.247 125 V C 2.116 178.177 176.094 -0.055 0.000 1.051 125 V CA 2.057 64.328 62.300 -0.050 0.000 1.036 125 V CB -0.398 31.406 31.823 -0.032 0.000 0.654 125 V HN 0.464 nan 8.190 nan 0.000 0.451 126 S N -0.213 115.456 115.700 -0.051 0.000 2.383 126 S HA -0.142 4.317 4.470 -0.017 0.000 0.229 126 S C 1.877 176.449 174.600 -0.046 0.000 1.030 126 S CA 1.445 59.616 58.200 -0.049 0.000 1.002 126 S CB -0.364 62.798 63.200 -0.063 0.000 0.829 126 S HN 0.474 nan 8.310 nan 0.000 0.467 127 L N 0.724 121.908 121.223 -0.065 0.000 2.131 127 L HA -0.086 4.243 4.340 -0.017 0.000 0.210 127 L C 2.114 178.876 176.870 -0.181 0.000 1.092 127 L CA 0.829 55.616 54.840 -0.087 0.000 0.759 127 L CB -0.369 41.611 42.059 -0.131 0.000 0.903 127 L HN 0.225 nan 8.230 nan 0.000 0.435 128 V N -1.050 118.760 119.914 -0.174 0.000 2.599 128 V HA -0.165 3.944 4.120 -0.017 0.000 0.245 128 V C 2.029 178.058 176.094 -0.109 0.000 1.046 128 V CA 0.926 63.112 62.300 -0.191 0.000 1.065 128 V CB 0.094 31.827 31.823 -0.150 0.000 0.703 128 V HN 0.261 nan 8.190 nan 0.000 0.464 129 L N 0.486 121.667 121.223 -0.070 0.000 2.162 129 L HA 0.222 4.551 4.340 -0.017 0.000 0.205 129 L C 2.427 179.280 176.870 -0.029 0.000 1.086 129 L CA 1.860 56.674 54.840 -0.044 0.000 0.778 129 L CB -0.743 41.297 42.059 -0.032 0.000 0.928 129 L HN 0.196 nan 8.230 nan 0.000 0.446 130 A N 0.720 123.531 122.820 -0.014 0.000 1.865 130 A HA -0.110 4.200 4.320 -0.017 0.000 0.217 130 A C -0.156 177.432 177.584 0.007 0.000 1.191 130 A CA 2.082 54.121 52.037 0.004 0.000 0.623 130 A CB -2.085 16.937 19.000 0.036 0.000 0.826 130 A HN 0.431 nan 8.150 nan 0.000 0.444 131 P HA -0.010 nan 4.420 nan 0.000 0.217 131 P C 1.616 178.913 177.300 -0.004 0.000 1.151 131 P CA 1.749 64.879 63.100 0.049 0.000 0.828 131 P CB -0.190 31.594 31.700 0.140 0.000 0.788 132 A N -0.152 122.652 122.820 -0.027 0.000 1.902 132 A HA -0.149 4.160 4.320 -0.017 0.000 0.217 132 A C 2.265 179.823 177.584 -0.044 0.000 1.181 132 A CA 1.453 53.468 52.037 -0.037 0.000 0.623 132 A CB -1.672 17.301 19.000 -0.045 0.000 0.818 132 A HN 0.130 nan 8.150 nan 0.000 0.443 133 L N -1.058 120.136 121.223 -0.048 0.000 2.156 133 L HA -0.095 4.234 4.340 -0.017 0.000 0.208 133 L C 3.045 179.855 176.870 -0.100 0.000 1.095 133 L CA 0.765 55.565 54.840 -0.067 0.000 0.770 133 L CB -0.448 41.576 42.059 -0.059 0.000 0.914 133 L HN 0.423 nan 8.230 nan 0.000 0.439 134 A N 0.191 122.955 122.820 -0.094 0.000 1.940 134 A HA -0.179 4.130 4.320 -0.017 0.000 0.219 134 A C 2.399 179.916 177.584 -0.111 0.000 1.176 134 A CA 1.766 53.729 52.037 -0.122 0.000 0.631 134 A CB -0.583 18.358 19.000 -0.098 0.000 0.814 134 A HN 0.396 nan 8.150 nan 0.000 0.446 135 A N -1.775 121.000 122.820 -0.075 0.000 2.167 135 A HA 0.057 4.367 4.320 -0.017 0.000 0.214 135 A C 1.705 179.248 177.584 -0.069 0.000 1.151 135 A CA 1.151 53.151 52.037 -0.061 0.000 0.735 135 A CB -0.806 18.172 19.000 -0.036 0.000 0.802 135 A HN 0.581 nan 8.150 nan 0.000 0.467 136 C N -1.031 118.218 119.300 -0.085 0.000 2.673 136 C HA 0.481 4.931 4.460 -0.017 0.000 0.274 136 C C 1.885 176.786 174.990 -0.147 0.000 1.276 136 C CA 0.143 59.105 59.018 -0.093 0.000 1.701 136 C CB -1.124 26.567 27.740 -0.081 0.000 1.836 136 C HN 0.993 nan 8.230 nan 0.000 0.596 137 G N -0.193 108.507 108.800 -0.166 0.000 2.141 137 G HA2 -0.221 3.729 3.960 -0.017 0.000 0.231 137 G HA3 -0.221 3.729 3.960 -0.017 0.000 0.231 137 G C 0.037 174.757 174.900 -0.300 0.000 0.984 137 G CA 0.047 45.019 45.100 -0.214 0.000 0.660 137 G HN 0.517 nan 8.290 nan 0.000 0.525 138 C N 0.819 119.947 119.300 -0.287 0.000 2.362 138 C HA 0.797 5.247 4.460 -0.017 0.000 0.363 138 C C 0.409 175.204 174.990 -0.325 0.000 1.220 138 C CA -0.923 57.915 59.018 -0.301 0.000 2.379 138 C CB 1.489 29.096 27.740 -0.223 0.000 2.351 138 C HN 0.367 nan 8.230 nan 0.000 0.582 139 K N 1.312 121.490 120.400 -0.370 0.000 2.244 139 K HA 0.608 4.917 4.320 -0.017 0.000 0.260 139 K C -1.318 175.083 176.600 -0.330 0.000 0.951 139 K CA -0.340 55.668 56.287 -0.465 0.000 0.826 139 K CB 1.700 33.754 32.500 -0.742 0.000 1.108 139 K HN 0.460 nan 8.250 nan 0.000 0.433 140 V N 4.773 124.530 119.914 -0.262 0.000 2.380 140 V HA 0.219 4.329 4.120 -0.017 0.000 0.272 140 V C -2.300 173.731 176.094 -0.106 0.000 1.011 140 V CA -1.481 60.728 62.300 -0.152 0.000 0.826 140 V CB 1.490 33.261 31.823 -0.087 0.000 1.040 140 V HN 0.537 nan 8.190 nan 0.000 0.441 141 P HA 0.235 nan 4.420 nan 0.000 0.219 141 P C -0.111 177.245 177.300 0.093 0.000 1.847 141 P CA -0.284 62.831 63.100 0.024 0.000 1.059 141 P CB 0.491 32.243 31.700 0.087 0.000 1.900 142 M N 3.795 123.440 119.600 0.075 0.000 2.251 142 M HA 0.203 4.672 4.480 -0.017 0.000 0.346 142 M C -0.413 175.955 176.300 0.113 0.000 1.499 142 M CA -0.104 55.252 55.300 0.093 0.000 1.128 142 M CB -0.048 32.590 32.600 0.064 0.000 1.809 142 M HN 0.103 nan 8.290 nan 0.000 0.464 143 I N 4.192 124.844 120.570 0.135 0.000 2.312 143 I HA 0.222 4.382 4.170 -0.017 0.000 0.291 143 I C 0.190 176.400 176.117 0.156 0.000 1.031 143 I CA -0.141 61.235 61.300 0.126 0.000 1.293 143 I CB 1.207 39.279 38.000 0.120 0.000 1.403 143 I HN 0.652 nan 8.210 nan 0.000 0.484 144 S N 3.655 119.419 115.700 0.107 0.000 2.841 144 S HA 0.920 5.379 4.470 -0.017 0.000 0.318 144 S C -0.218 174.403 174.600 0.035 0.000 1.127 144 S CA -0.287 57.974 58.200 0.102 0.000 0.883 144 S CB 1.984 65.195 63.200 0.018 0.000 1.271 144 S HN 0.748 nan 8.310 nan 0.000 0.567 145 G N 0.025 108.839 108.800 0.024 0.000 3.086 145 G HA2 0.631 4.581 3.960 -0.017 0.000 0.282 145 G HA3 0.631 4.581 3.960 -0.017 0.000 0.282 145 G C -1.177 173.709 174.900 -0.025 0.000 1.343 145 G CA -0.697 44.306 45.100 -0.162 0.000 0.895 145 G HN 0.703 nan 8.290 nan 0.000 0.557 146 R N -1.169 119.314 120.500 -0.029 0.000 2.740 146 R HA 0.545 4.875 4.340 -0.017 0.000 0.223 146 R C 0.705 177.176 176.300 0.286 0.000 1.362 146 R CA -0.293 55.879 56.100 0.119 0.000 1.069 146 R CB 0.304 30.648 30.300 0.074 0.000 1.739 146 R HN 0.605 nan 8.270 nan 0.000 0.533 147 G N 0.763 109.696 108.800 0.222 0.000 2.305 147 G HA2 0.280 4.230 3.960 -0.017 0.000 0.243 147 G HA3 0.280 4.230 3.960 -0.017 0.000 0.243 147 G C -1.023 174.007 174.900 0.217 0.000 1.288 147 G CA 0.006 45.239 45.100 0.223 0.000 0.901 147 G HN 0.216 nan 8.290 nan 0.000 0.516 148 L N 2.972 124.256 121.223 0.102 0.000 2.476 148 L HA 0.662 4.992 4.340 -0.017 0.000 0.269 148 L C 0.719 177.498 176.870 -0.151 0.000 0.965 148 L CA 1.147 55.944 54.840 -0.070 0.000 0.845 148 L CB 1.368 43.252 42.059 -0.291 0.000 1.259 148 L HN 1.420 nan 8.230 nan 0.000 0.403 149 G N 3.730 112.420 108.800 -0.183 0.000 2.536 149 G HA2 -0.322 3.627 3.960 -0.017 0.000 0.277 149 G HA3 -0.322 3.627 3.960 -0.017 0.000 0.277 149 G C 0.545 175.277 174.900 -0.280 0.000 1.155 149 G CA 0.546 45.460 45.100 -0.310 0.000 0.960 149 G HN 1.329 nan 8.290 nan 0.000 0.544 150 H N 0.354 119.343 119.070 -0.135 0.000 2.784 150 H HA 0.414 4.959 4.556 -0.018 0.000 0.273 150 H C 0.972 176.298 175.328 -0.003 0.000 1.112 150 H CA 0.903 56.885 56.048 -0.111 0.000 1.162 150 H CB -0.060 29.629 29.762 -0.122 0.000 1.586 150 H HN 0.828 nan 8.280 nan 0.000 0.548 151 T N -0.277 114.316 114.554 0.066 0.000 2.882 151 T HA 0.513 4.852 4.350 -0.017 0.000 0.287 151 T C 0.865 175.637 174.700 0.120 0.000 0.992 151 T CA -0.267 61.901 62.100 0.115 0.000 1.076 151 T CB 2.054 70.952 68.868 0.049 0.000 0.961 151 T HN 0.370 nan 8.240 nan 0.000 0.490 152 G N 0.693 109.570 108.800 0.128 0.000 2.537 152 G HA2 0.586 4.536 3.960 -0.017 0.000 0.273 152 G HA3 0.586 4.536 3.960 -0.017 0.000 0.273 152 G C 0.062 175.056 174.900 0.156 0.000 1.189 152 G CA -0.709 44.493 45.100 0.170 0.000 0.881 152 G HN 1.084 nan 8.290 nan 0.000 0.535 153 G N -1.128 107.784 108.800 0.186 0.000 2.452 153 G HA2 0.443 4.392 3.960 -0.017 0.000 0.324 153 G HA3 0.443 4.392 3.960 -0.017 0.000 0.324 153 G C 0.735 175.688 174.900 0.088 0.000 1.214 153 G CA -0.032 45.149 45.100 0.135 0.000 0.947 153 G HN 0.474 nan 8.290 nan 0.000 0.478 154 T N 2.205 116.787 114.554 0.046 0.000 2.720 154 T HA -0.146 4.193 4.350 -0.017 0.000 0.268 154 T C 2.555 177.249 174.700 -0.011 0.000 1.037 154 T CA 1.100 63.206 62.100 0.010 0.000 1.144 154 T CB -0.282 68.577 68.868 -0.016 0.000 0.864 154 T HN 0.329 nan 8.240 nan 0.000 0.444 155 L N 1.078 122.300 121.223 -0.001 0.000 2.012 155 L HA -0.165 4.164 4.340 -0.017 0.000 0.210 155 L C 2.512 179.349 176.870 -0.054 0.000 1.073 155 L CA 1.406 56.242 54.840 -0.007 0.000 0.748 155 L CB -0.754 41.304 42.059 -0.001 0.000 0.891 155 L HN 0.241 nan 8.230 nan 0.000 0.431 156 D N 0.249 120.596 120.400 -0.089 0.000 2.144 156 D HA -0.148 4.482 4.640 -0.017 0.000 0.199 156 D C 2.163 178.288 176.300 -0.292 0.000 0.984 156 D CA 1.147 54.989 54.000 -0.264 0.000 0.834 156 D CB -0.035 40.507 40.800 -0.430 0.000 0.955 156 D HN 0.370 nan 8.370 nan 0.000 0.465 157 K N 0.497 120.854 120.400 -0.072 0.000 2.026 157 K HA -0.043 4.267 4.320 -0.017 0.000 0.208 157 K C 2.362 178.909 176.600 -0.088 0.000 1.048 157 K CA 0.613 56.916 56.287 0.028 0.000 0.929 157 K CB -0.209 32.336 32.500 0.075 0.000 0.713 157 K HN 0.092 nan 8.250 nan 0.000 0.439 158 L N 1.141 122.249 121.223 -0.192 0.000 2.191 158 L HA -0.174 4.155 4.340 -0.017 0.000 0.212 158 L C 2.174 178.842 176.870 -0.337 0.000 1.103 158 L CA 1.127 55.692 54.840 -0.458 0.000 0.769 158 L CB -0.251 41.302 42.059 -0.843 0.000 0.908 158 L HN 0.237 nan 8.230 nan 0.000 0.438 159 E N -0.421 119.702 120.200 -0.128 0.000 2.347 159 E HA -0.150 4.189 4.350 -0.017 0.000 0.196 159 E C 2.180 178.770 176.600 -0.016 0.000 1.008 159 E CA 0.920 57.316 56.400 -0.008 0.000 0.852 159 E CB 0.129 29.817 29.700 -0.021 0.000 0.783 159 E HN 0.513 nan 8.360 nan 0.000 0.505 160 S N 0.260 115.935 115.700 -0.042 0.000 2.469 160 S HA -0.082 4.378 4.470 -0.017 0.000 0.238 160 S C 0.948 175.552 174.600 0.007 0.000 0.998 160 S CA 0.282 58.478 58.200 -0.006 0.000 0.957 160 S CB -0.310 62.901 63.200 0.018 0.000 0.764 160 S HN 0.109 nan 8.310 nan 0.000 0.514 161 I N 3.337 123.906 120.570 -0.001 0.000 2.379 161 I HA 0.261 4.421 4.170 -0.017 0.000 0.290 161 I C -2.507 173.654 176.117 0.073 0.000 1.063 161 I CA -2.477 58.840 61.300 0.030 0.000 1.351 161 I CB 0.602 38.606 38.000 0.006 0.000 1.410 161 I HN -0.035 nan 8.210 nan 0.000 0.505 162 P HA -0.002 nan 4.420 nan 0.000 0.261 162 P C 0.862 178.198 177.300 0.059 0.000 1.183 162 P CA 0.741 63.870 63.100 0.048 0.000 0.761 162 P CB 0.532 32.250 31.700 0.029 0.000 0.785 163 G N 2.608 111.440 108.800 0.054 0.000 2.176 163 G HA2 -0.294 3.655 3.960 -0.017 0.000 0.253 163 G HA3 -0.294 3.655 3.960 -0.017 0.000 0.253 163 G C 0.017 174.934 174.900 0.029 0.000 0.979 163 G CA -0.549 44.568 45.100 0.028 0.000 0.641 163 G HN 0.521 nan 8.290 nan 0.000 0.530 164 F N 2.766 122.693 119.950 -0.037 0.000 2.502 164 F HA 0.512 5.030 4.527 -0.015 0.000 0.371 164 F C 0.132 175.911 175.800 -0.034 0.000 1.083 164 F CA -0.799 57.175 58.000 -0.044 0.000 1.174 164 F CB 0.428 39.399 39.000 -0.047 0.000 1.096 164 F HN 0.028 nan 8.300 nan 0.000 0.545 165 N N 5.585 124.057 118.700 -0.380 0.000 2.424 165 N HA 0.180 4.910 4.740 -0.017 0.000 0.271 165 N C 0.751 176.125 175.510 -0.226 0.000 0.985 165 N CA -0.203 52.729 53.050 -0.198 0.000 0.921 165 N CB 2.021 40.401 38.487 -0.178 0.000 1.149 165 N HN 0.566 nan 8.380 nan 0.000 0.492 166 V N 0.112 120.021 119.914 -0.009 0.000 3.235 166 V HA 0.299 4.409 4.120 -0.017 0.000 0.259 166 V C 0.834 176.929 176.094 0.002 0.000 1.133 166 V CA 0.617 62.951 62.300 0.057 0.000 1.128 166 V CB -0.267 31.630 31.823 0.124 0.000 0.757 166 V HN 0.422 nan 8.190 nan 0.000 0.469 167 I N 1.947 122.503 120.570 -0.024 0.000 2.337 167 I HA 0.528 4.687 4.170 -0.017 0.000 0.291 167 I C -0.137 175.958 176.117 -0.037 0.000 1.046 167 I CA 0.377 61.664 61.300 -0.023 0.000 1.324 167 I CB 1.006 38.993 38.000 -0.022 0.000 1.409 167 I HN 0.273 nan 8.210 nan 0.000 0.494 168 Q N 4.516 124.305 119.800 -0.019 0.000 2.289 168 Q HA 0.351 4.681 4.340 -0.017 0.000 0.270 168 Q C -0.521 175.480 176.000 0.002 0.000 1.038 168 Q CA -0.498 55.294 55.803 -0.017 0.000 0.812 168 Q CB 2.151 30.878 28.738 -0.019 0.000 1.300 168 Q HN 0.751 nan 8.270 nan 0.000 0.427 169 S N 2.457 118.156 115.700 -0.002 0.000 2.624 169 S HA 0.420 4.880 4.470 -0.017 0.000 0.263 169 S C -1.788 172.816 174.600 0.007 0.000 1.287 169 S CA -0.821 57.377 58.200 -0.003 0.000 0.990 169 S CB 0.747 63.939 63.200 -0.013 0.000 0.950 169 S HN 0.510 nan 8.310 nan 0.000 0.561 170 P HA -0.180 nan 4.420 nan 0.000 0.215 170 P C 1.597 178.879 177.300 -0.029 0.000 1.157 170 P CA 1.564 64.639 63.100 -0.040 0.000 0.874 170 P CB -0.087 31.557 31.700 -0.094 0.000 0.790 171 E N 0.375 120.558 120.200 -0.028 0.000 2.058 171 E HA -0.244 4.095 4.350 -0.017 0.000 0.194 171 E C 2.013 178.634 176.600 0.036 0.000 0.997 171 E CA 1.381 57.776 56.400 -0.008 0.000 0.801 171 E CB -1.267 28.422 29.700 -0.018 0.000 0.746 171 E HN 0.405 nan 8.360 nan 0.000 0.450 172 Q N 0.139 119.957 119.800 0.029 0.000 2.124 172 Q HA -0.043 4.286 4.340 -0.017 0.000 0.202 172 Q C 2.370 178.421 176.000 0.085 0.000 0.977 172 Q CA 1.537 57.363 55.803 0.039 0.000 0.850 172 Q CB -0.216 28.529 28.738 0.011 0.000 0.901 172 Q HN 0.327 nan 8.270 nan 0.000 0.429 173 M N -0.055 119.618 119.600 0.122 0.000 2.213 173 M HA -0.219 4.250 4.480 -0.017 0.000 0.263 173 M C 2.000 178.510 176.300 0.351 0.000 1.062 173 M CA 1.450 56.881 55.300 0.218 0.000 1.105 173 M CB -0.077 32.689 32.600 0.277 0.000 1.385 173 M HN 0.204 nan 8.290 nan 0.000 0.417 174 Q N -0.509 119.509 119.800 0.364 0.000 2.119 174 Q HA -0.127 4.203 4.340 -0.017 0.000 0.201 174 Q C 2.092 178.297 176.000 0.341 0.000 0.972 174 Q CA 1.233 57.322 55.803 0.476 0.000 0.847 174 Q CB -0.016 28.889 28.738 0.280 0.000 0.903 174 Q HN 0.358 nan 8.270 nan 0.000 0.433 175 V N 0.802 120.835 119.914 0.200 0.000 2.358 175 V HA -0.246 3.863 4.120 -0.017 0.000 0.246 175 V C 2.089 178.256 176.094 0.121 0.000 1.047 175 V CA 1.418 63.802 62.300 0.140 0.000 1.035 175 V CB -0.434 31.436 31.823 0.078 0.000 0.658 175 V HN 0.367 nan 8.190 nan 0.000 0.452 176 L N -0.692 120.596 121.223 0.108 0.000 2.083 176 L HA -0.184 4.146 4.340 -0.017 0.000 0.209 176 L C 2.349 179.244 176.870 0.042 0.000 1.083 176 L CA 1.434 56.309 54.840 0.059 0.000 0.752 176 L CB -0.496 41.593 42.059 0.049 0.000 0.899 176 L HN 0.308 nan 8.230 nan 0.000 0.433 177 L N -0.842 120.431 121.223 0.084 0.000 2.217 177 L HA -0.148 4.182 4.340 -0.017 0.000 0.211 177 L C 2.071 178.883 176.870 -0.097 0.000 1.107 177 L CA 0.771 55.563 54.840 -0.080 0.000 0.783 177 L CB -0.574 41.390 42.059 -0.159 0.000 0.919 177 L HN 0.298 nan 8.230 nan 0.000 0.442 178 D N 0.026 120.508 120.400 0.136 0.000 2.097 178 D HA -0.160 4.469 4.640 -0.017 0.000 0.197 178 D C 2.254 178.582 176.300 0.045 0.000 0.984 178 D CA 1.207 55.298 54.000 0.151 0.000 0.826 178 D CB 0.051 40.977 40.800 0.211 0.000 0.973 178 D HN 0.399 nan 8.370 nan 0.000 0.460 179 Q N -0.412 119.407 119.800 0.032 0.000 2.212 179 Q HA 0.131 4.460 4.340 -0.017 0.000 0.199 179 Q C 1.533 177.522 176.000 -0.018 0.000 0.950 179 Q CA 1.090 56.898 55.803 0.009 0.000 0.863 179 Q CB 0.391 29.136 28.738 0.011 0.000 0.944 179 Q HN 0.161 nan 8.270 nan 0.000 0.465 180 A N -1.082 121.716 122.820 -0.036 0.000 2.226 180 A HA 0.456 4.765 4.320 -0.017 0.000 0.207 180 A C 1.443 178.979 177.584 -0.080 0.000 1.293 180 A CA 0.690 52.701 52.037 -0.043 0.000 0.968 180 A CB 0.589 19.574 19.000 -0.026 0.000 1.044 180 A HN 0.351 nan 8.150 nan 0.000 0.493 181 G N -1.100 107.615 108.800 -0.142 0.000 2.205 181 G HA2 -0.261 3.688 3.960 -0.017 0.000 0.261 181 G HA3 -0.261 3.688 3.960 -0.017 0.000 0.261 181 G C 0.523 175.295 174.900 -0.214 0.000 0.980 181 G CA 0.586 45.547 45.100 -0.232 0.000 0.632 181 G HN 2.074 nan 8.290 nan 0.000 0.533 182 C N -1.640 117.586 119.300 -0.124 0.000 3.312 182 C HA 0.874 5.323 4.460 -0.017 0.000 0.332 182 C C 0.171 175.155 174.990 -0.010 0.000 1.340 182 C CA -0.664 58.309 59.018 -0.075 0.000 1.265 182 C CB 1.304 29.022 27.740 -0.036 0.000 1.563 182 C HN 1.980 nan 8.230 nan 0.000 0.471 183 C N 0.436 119.751 119.300 0.025 0.000 3.321 183 C HA 0.875 5.324 4.460 -0.017 0.000 0.329 183 C C -1.298 173.758 174.990 0.110 0.000 1.394 183 C CA -0.703 58.361 59.018 0.077 0.000 1.291 183 C CB 0.508 28.288 27.740 0.068 0.000 1.606 183 C HN 1.097 nan 8.230 nan 0.000 0.463 184 I N 2.442 123.114 120.570 0.171 0.000 2.497 184 I HA 0.617 4.776 4.170 -0.017 0.000 0.284 184 I C -0.290 175.945 176.117 0.197 0.000 1.060 184 I CA -0.400 61.004 61.300 0.174 0.000 1.071 184 I CB 1.679 39.783 38.000 0.174 0.000 1.216 184 I HN 0.860 nan 8.210 nan 0.000 0.442 185 V N 2.204 122.196 119.914 0.130 0.000 3.040 185 V HA 0.978 5.087 4.120 -0.017 0.000 0.312 185 V C 0.137 176.273 176.094 0.071 0.000 1.115 185 V CA -0.459 61.900 62.300 0.099 0.000 0.998 185 V CB 1.591 33.458 31.823 0.074 0.000 1.042 185 V HN 0.663 nan 8.190 nan 0.000 0.433 186 G N 1.791 110.616 108.800 0.042 0.000 2.535 186 G HA2 0.534 4.483 3.960 -0.017 0.000 0.303 186 G HA3 0.534 4.483 3.960 -0.017 0.000 0.303 186 G C -0.305 174.589 174.900 -0.009 0.000 1.237 186 G CA -0.650 44.449 45.100 -0.001 0.000 0.986 186 G HN 1.080 nan 8.290 nan 0.000 0.494 187 Q N -0.916 118.857 119.800 -0.045 0.000 2.417 187 Q HA 0.493 4.822 4.340 -0.017 0.000 0.241 187 Q C -0.152 175.830 176.000 -0.031 0.000 1.008 187 Q CA -0.075 55.706 55.803 -0.036 0.000 0.901 187 Q CB 1.188 29.890 28.738 -0.061 0.000 1.259 187 Q HN 0.767 nan 8.270 nan 0.000 0.489 188 S N -0.561 115.128 115.700 -0.019 0.000 2.703 188 S HA 0.180 4.640 4.470 -0.017 0.000 0.273 188 S C 0.540 175.131 174.600 -0.015 0.000 1.178 188 S CA -0.659 57.531 58.200 -0.017 0.000 0.838 188 S CB 0.808 64.000 63.200 -0.013 0.000 1.178 188 S HN 0.595 nan 8.310 nan 0.000 0.494 189 E N 0.718 120.909 120.200 -0.016 0.000 2.130 189 E HA -0.217 4.123 4.350 -0.017 0.000 0.196 189 E C 1.577 178.168 176.600 -0.016 0.000 0.998 189 E CA 1.799 58.189 56.400 -0.016 0.000 0.806 189 E CB -0.257 29.433 29.700 -0.017 0.000 0.738 189 E HN 0.644 nan 8.360 nan 0.000 0.459 190 Q N -0.401 119.390 119.800 -0.015 0.000 2.384 190 Q HA 0.188 4.518 4.340 -0.017 0.000 0.207 190 Q C 0.293 176.286 176.000 -0.011 0.000 0.904 190 Q CA 0.102 55.895 55.803 -0.016 0.000 0.933 190 Q CB 0.674 29.400 28.738 -0.020 0.000 1.077 190 Q HN 0.135 nan 8.270 nan 0.000 0.522 191 L N 0.631 121.851 121.223 -0.004 0.000 2.343 191 L HA 0.305 4.634 4.340 -0.017 0.000 0.278 191 L C -0.039 176.836 176.870 0.007 0.000 0.996 191 L CA -0.866 53.977 54.840 0.006 0.000 0.831 191 L CB 2.170 44.240 42.059 0.019 0.000 1.232 191 L HN -0.193 nan 8.230 nan 0.000 0.413 192 V N 3.542 123.462 119.914 0.011 0.000 5.359 192 V HA -0.221 3.888 4.120 -0.017 0.000 0.278 192 V C -1.065 175.033 176.094 0.007 0.000 0.622 192 V CA 0.668 62.977 62.300 0.015 0.000 0.649 192 V CB -1.384 30.456 31.823 0.028 0.000 0.408 192 V HN 0.786 nan 8.190 nan 0.000 0.918 193 P HA -0.198 nan 4.420 nan 0.000 0.216 193 P C 1.625 178.922 177.300 -0.005 0.000 1.150 193 P CA 2.244 65.338 63.100 -0.009 0.000 0.837 193 P CB 0.238 31.929 31.700 -0.015 0.000 0.786 194 A N 0.108 122.926 122.820 -0.003 0.000 1.969 194 A HA -0.202 4.107 4.320 -0.017 0.000 0.218 194 A C 2.125 179.729 177.584 0.035 0.000 1.169 194 A CA 2.050 54.086 52.037 -0.003 0.000 0.635 194 A CB -1.593 17.399 19.000 -0.013 0.000 0.810 194 A HN 0.216 nan 8.150 nan 0.000 0.445 195 D N -0.860 119.571 120.400 0.051 0.000 2.183 195 D HA 0.014 4.644 4.640 -0.017 0.000 0.203 195 D C 1.911 178.279 176.300 0.114 0.000 0.969 195 D CA 1.340 55.398 54.000 0.098 0.000 0.842 195 D CB -0.329 40.532 40.800 0.100 0.000 0.957 195 D HN 0.272 nan 8.370 nan 0.000 0.484 196 G N 0.361 109.183 108.800 0.035 0.000 2.422 196 G HA2 -0.196 3.754 3.960 -0.017 0.000 0.218 196 G HA3 -0.196 3.754 3.960 -0.017 0.000 0.218 196 G C 1.678 176.615 174.900 0.062 0.000 1.146 196 G CA 0.789 45.887 45.100 -0.002 0.000 0.769 196 G HN 0.354 nan 8.290 nan 0.000 0.547 197 I N -0.194 120.407 120.570 0.052 0.000 2.233 197 I HA -0.038 4.121 4.170 -0.017 0.000 0.243 197 I C 2.513 178.683 176.117 0.089 0.000 1.093 197 I CA 0.343 61.673 61.300 0.051 0.000 1.380 197 I CB -0.209 37.796 38.000 0.008 0.000 1.067 197 I HN 0.043 nan 8.210 nan 0.000 0.413 198 L N -0.240 121.044 121.223 0.101 0.000 2.079 198 L HA -0.254 4.075 4.340 -0.017 0.000 0.210 198 L C 2.467 179.429 176.870 0.153 0.000 1.081 198 L CA 1.846 56.762 54.840 0.127 0.000 0.752 198 L CB -1.032 41.110 42.059 0.139 0.000 0.896 198 L HN 0.215 nan 8.230 nan 0.000 0.433 199 Y N 0.075 120.399 120.300 0.040 0.000 2.145 199 Y HA -0.269 4.270 4.550 -0.018 0.000 0.286 199 Y C 2.412 178.333 175.900 0.034 0.000 1.145 199 Y CA 1.490 59.612 58.100 0.036 0.000 1.148 199 Y CB -0.387 38.096 38.460 0.039 0.000 0.981 199 Y HN 0.130 nan 8.280 nan 0.000 0.507 200 A N -0.084 122.919 122.820 0.305 0.000 1.969 200 A HA -0.047 4.262 4.320 -0.017 0.000 0.218 200 A C 2.344 179.997 177.584 0.115 0.000 1.169 200 A CA 1.679 53.836 52.037 0.200 0.000 0.635 200 A CB -1.282 17.798 19.000 0.135 0.000 0.810 200 A HN 0.558 nan 8.150 nan 0.000 0.445 201 A N -0.187 122.691 122.820 0.096 0.000 1.898 201 A HA -0.036 4.274 4.320 -0.017 0.000 0.214 201 A C 2.178 179.788 177.584 0.043 0.000 1.183 201 A CA 1.158 53.235 52.037 0.068 0.000 0.622 201 A CB -0.371 18.674 19.000 0.075 0.000 0.824 201 A HN 0.509 nan 8.150 nan 0.000 0.444 202 R N -0.306 120.209 120.500 0.025 0.000 2.105 202 R HA -0.159 4.171 4.340 -0.017 0.000 0.239 202 R C 1.828 178.100 176.300 -0.047 0.000 1.135 202 R CA 1.438 57.525 56.100 -0.022 0.000 0.967 202 R CB -0.385 29.875 30.300 -0.066 0.000 0.861 202 R HN 0.583 nan 8.270 nan 0.000 0.442 203 D N 0.197 120.574 120.400 -0.039 0.000 2.182 203 D HA -0.125 4.504 4.640 -0.017 0.000 0.201 203 D C 1.555 177.850 176.300 -0.008 0.000 0.986 203 D CA 1.296 55.275 54.000 -0.035 0.000 0.847 203 D CB 0.270 41.087 40.800 0.029 0.000 0.942 203 D HN 0.196 nan 8.370 nan 0.000 0.467 204 V N -2.547 117.377 119.914 0.016 0.000 3.578 204 V HA 0.292 4.402 4.120 -0.017 0.000 0.290 204 V C 1.257 177.360 176.094 0.016 0.000 1.376 204 V CA 0.998 63.314 62.300 0.027 0.000 1.083 204 V CB -0.082 31.769 31.823 0.046 0.000 0.911 204 V HN 0.265 nan 8.190 nan 0.000 0.433 205 T N -2.925 111.632 114.554 0.005 0.000 3.200 205 T HA 0.637 4.977 4.350 -0.017 0.000 0.284 205 T C 0.987 175.684 174.700 -0.005 0.000 1.009 205 T CA 0.454 62.558 62.100 0.007 0.000 0.907 205 T CB 0.345 69.223 68.868 0.017 0.000 1.120 205 T HN 1.730 nan 8.240 nan 0.000 0.534 206 A N 1.330 124.137 122.820 -0.021 0.000 2.745 206 A HA -0.137 4.172 4.320 -0.017 0.000 0.296 206 A C 1.082 178.650 177.584 -0.026 0.000 1.500 206 A CA 1.148 53.168 52.037 -0.029 0.000 0.766 206 A CB -2.624 16.368 19.000 -0.014 0.000 1.030 206 A HN 1.389 nan 8.150 nan 0.000 0.489 207 T N -3.999 110.535 114.554 -0.034 0.000 3.380 207 T HA 0.484 4.824 4.350 -0.017 0.000 0.289 207 T C 1.051 175.715 174.700 -0.059 0.000 1.012 207 T CA 0.431 62.514 62.100 -0.029 0.000 0.944 207 T CB 0.209 69.072 68.868 -0.008 0.000 1.172 207 T HN 0.544 nan 8.240 nan 0.000 0.502 208 V N 2.162 122.014 119.914 -0.103 0.000 2.302 208 V HA -0.020 4.089 4.120 -0.017 0.000 0.243 208 V C 1.829 177.820 176.094 -0.173 0.000 1.036 208 V CA 1.681 63.883 62.300 -0.164 0.000 1.020 208 V CB -0.415 31.274 31.823 -0.224 0.000 0.657 208 V HN 0.754 nan 8.190 nan 0.000 0.453 209 D N 0.732 121.021 120.400 -0.186 0.000 2.982 209 D HA 0.010 4.639 4.640 -0.017 0.000 0.238 209 D C 0.279 176.622 176.300 0.072 0.000 1.168 209 D CA 0.281 54.120 54.000 -0.268 0.000 0.947 209 D CB 0.274 40.853 40.800 -0.368 0.000 1.147 209 D HN 0.306 nan 8.370 nan 0.000 0.450 210 S N 0.661 116.408 115.700 0.079 0.000 2.474 210 S HA 0.278 4.737 4.470 -0.017 0.000 0.321 210 S C 1.330 176.034 174.600 0.174 0.000 1.080 210 S CA -0.832 57.451 58.200 0.138 0.000 1.106 210 S CB 0.626 63.859 63.200 0.055 0.000 0.984 210 S HN 0.270 nan 8.310 nan 0.000 0.464 211 L N 5.521 126.876 121.223 0.219 0.000 1.963 211 L HA -0.059 4.271 4.340 -0.017 0.000 0.220 211 L C -0.422 176.505 176.870 0.094 0.000 1.076 211 L CA 1.519 56.458 54.840 0.165 0.000 0.772 211 L CB -1.643 40.452 42.059 0.060 0.000 0.892 211 L HN 0.519 nan 8.230 nan 0.000 0.435 212 P HA -0.174 nan 4.420 nan 0.000 0.218 212 P C 1.934 179.259 177.300 0.043 0.000 1.148 212 P CA 1.587 64.712 63.100 0.042 0.000 0.822 212 P CB -0.007 31.709 31.700 0.026 0.000 0.784 213 L N -1.311 119.938 121.223 0.044 0.000 2.109 213 L HA -0.089 4.241 4.340 -0.017 0.000 0.207 213 L C 2.739 179.627 176.870 0.029 0.000 1.086 213 L CA 1.105 55.967 54.840 0.036 0.000 0.760 213 L CB -0.707 41.366 42.059 0.023 0.000 0.910 213 L HN -0.124 nan 8.230 nan 0.000 0.437 214 I N -0.499 120.090 120.570 0.032 0.000 2.133 214 I HA -0.269 3.891 4.170 -0.017 0.000 0.238 214 I C 2.564 178.697 176.117 0.027 0.000 1.074 214 I CA 1.538 62.851 61.300 0.022 0.000 1.342 214 I CB -0.633 37.397 38.000 0.050 0.000 1.053 214 I HN 0.212 nan 8.210 nan 0.000 0.404 215 T N 0.953 115.534 114.554 0.044 0.000 2.653 215 T HA -0.267 4.072 4.350 -0.017 0.000 0.268 215 T C 1.947 176.660 174.700 0.023 0.000 1.035 215 T CA 1.916 64.036 62.100 0.034 0.000 1.154 215 T CB -0.373 68.519 68.868 0.040 0.000 0.862 215 T HN 0.520 nan 8.240 nan 0.000 0.441 216 A N 0.358 123.197 122.820 0.033 0.000 1.968 216 A HA 0.019 4.329 4.320 -0.017 0.000 0.217 216 A C 2.537 180.145 177.584 0.040 0.000 1.169 216 A CA 1.828 53.887 52.037 0.038 0.000 0.638 216 A CB -0.816 18.213 19.000 0.049 0.000 0.812 216 A HN 0.443 nan 8.150 nan 0.000 0.446 217 S N -0.246 115.480 115.700 0.044 0.000 2.345 217 S HA -0.106 4.353 4.470 -0.017 0.000 0.220 217 S C 1.920 176.526 174.600 0.010 0.000 1.031 217 S CA 1.444 59.683 58.200 0.066 0.000 0.996 217 S CB -0.454 62.802 63.200 0.093 0.000 0.882 217 S HN 0.483 nan 8.310 nan 0.000 0.445 218 I N 1.455 121.985 120.570 -0.066 0.000 2.133 218 I HA -0.139 4.020 4.170 -0.017 0.000 0.238 218 I C 2.250 178.297 176.117 -0.116 0.000 1.074 218 I CA 0.848 62.013 61.300 -0.226 0.000 1.342 218 I CB -0.348 37.488 38.000 -0.273 0.000 1.053 218 I HN 0.305 nan 8.210 nan 0.000 0.404 219 L N 0.794 121.992 121.223 -0.042 0.000 2.079 219 L HA -0.199 4.131 4.340 -0.017 0.000 0.210 219 L C 2.927 179.807 176.870 0.017 0.000 1.081 219 L CA 2.362 57.202 54.840 -0.001 0.000 0.752 219 L CB -1.566 40.503 42.059 0.016 0.000 0.896 219 L HN 0.434 nan 8.230 nan 0.000 0.433 220 S N -0.376 115.337 115.700 0.022 0.000 2.359 220 S HA -0.251 4.209 4.470 -0.017 0.000 0.224 220 S C 1.961 176.587 174.600 0.043 0.000 1.035 220 S CA 1.113 59.335 58.200 0.036 0.000 1.018 220 S CB -0.394 62.832 63.200 0.043 0.000 0.876 220 S HN 0.358 nan 8.310 nan 0.000 0.448 221 K N 1.059 121.483 120.400 0.041 0.000 2.032 221 K HA -0.057 4.253 4.320 -0.017 0.000 0.209 221 K C 2.325 178.974 176.600 0.082 0.000 1.048 221 K CA 1.476 57.801 56.287 0.063 0.000 0.927 221 K CB -0.124 32.418 32.500 0.070 0.000 0.712 221 K HN 0.272 nan 8.250 nan 0.000 0.441 222 K N 0.457 120.898 120.400 0.068 0.000 2.217 222 K HA -0.030 4.279 4.320 -0.017 0.000 0.202 222 K C 1.994 178.650 176.600 0.093 0.000 1.051 222 K CA 0.528 56.868 56.287 0.090 0.000 0.952 222 K CB -0.146 32.398 32.500 0.073 0.000 0.736 222 K HN 0.088 nan 8.250 nan 0.000 0.453 223 L N 1.091 122.358 121.223 0.073 0.000 2.083 223 L HA -0.113 4.216 4.340 -0.017 0.000 0.209 223 L C 2.349 179.270 176.870 0.085 0.000 1.083 223 L CA 1.432 56.315 54.840 0.072 0.000 0.752 223 L CB -1.220 40.870 42.059 0.052 0.000 0.899 223 L HN -0.002 nan 8.230 nan 0.000 0.433 224 V N -3.643 116.321 119.914 0.084 0.000 3.217 224 V HA -0.079 4.031 4.120 -0.017 0.000 0.264 224 V C 1.894 178.071 176.094 0.139 0.000 1.135 224 V CA 0.842 63.190 62.300 0.080 0.000 1.142 224 V CB -0.638 31.218 31.823 0.056 0.000 0.754 224 V HN 0.409 nan 8.190 nan 0.000 0.484 225 E N 1.527 121.843 120.200 0.193 0.000 2.358 225 E HA 0.204 4.543 4.350 -0.017 0.000 0.195 225 E C 1.523 178.391 176.600 0.447 0.000 1.010 225 E CA 0.440 57.032 56.400 0.321 0.000 0.856 225 E CB -0.241 29.600 29.700 0.235 0.000 0.795 225 E HN 0.856 nan 8.360 nan 0.000 0.504 226 G N 1.948 110.923 108.800 0.292 0.000 2.351 226 G HA2 -0.276 3.673 3.960 -0.017 0.000 0.297 226 G HA3 -0.276 3.673 3.960 -0.017 0.000 0.297 226 G C -0.111 174.953 174.900 0.272 0.000 1.054 226 G CA 0.051 45.324 45.100 0.288 0.000 1.123 226 G HN 0.090 nan 8.290 nan 0.000 0.512 227 L N -0.152 121.176 121.223 0.175 0.000 2.399 227 L HA 0.569 4.899 4.340 -0.017 0.000 0.265 227 L C 1.841 178.766 176.870 0.092 0.000 1.089 227 L CA -0.196 54.715 54.840 0.117 0.000 0.802 227 L CB 1.540 43.654 42.059 0.091 0.000 1.180 227 L HN 0.377 nan 8.230 nan 0.000 0.454 228 S N -0.239 115.503 115.700 0.069 0.000 2.486 228 S HA 0.404 4.864 4.470 -0.017 0.000 0.220 228 S C 0.433 175.051 174.600 0.029 0.000 1.011 228 S CA 0.196 58.426 58.200 0.049 0.000 0.921 228 S CB 0.327 63.554 63.200 0.045 0.000 0.785 228 S HN 0.704 nan 8.310 nan 0.000 0.517 229 A N 0.380 123.222 122.820 0.036 0.000 2.589 229 A HA 0.731 5.040 4.320 -0.017 0.000 0.296 229 A C -1.770 175.844 177.584 0.050 0.000 1.062 229 A CA -0.718 51.338 52.037 0.031 0.000 0.686 229 A CB 1.359 20.367 19.000 0.013 0.000 1.282 229 A HN 0.655 nan 8.150 nan 0.000 0.404 230 L N 1.623 122.881 121.223 0.059 0.000 2.431 230 L HA 0.849 5.178 4.340 -0.017 0.000 0.266 230 L C -1.660 175.261 176.870 0.085 0.000 0.978 230 L CA -0.441 54.444 54.840 0.075 0.000 0.822 230 L CB 2.222 44.327 42.059 0.077 0.000 1.310 230 L HN 0.593 nan 8.230 nan 0.000 0.409 231 V N 4.871 124.842 119.914 0.094 0.000 2.540 231 V HA 0.638 4.747 4.120 -0.017 0.000 0.302 231 V C -0.912 175.249 176.094 0.111 0.000 1.035 231 V CA -0.639 61.722 62.300 0.101 0.000 0.873 231 V CB 2.090 33.972 31.823 0.099 0.000 0.992 231 V HN 0.608 nan 8.190 nan 0.000 0.428 232 V N 4.302 124.283 119.914 0.112 0.000 2.407 232 V HA 0.496 4.606 4.120 -0.017 0.000 0.291 232 V C -0.670 175.496 176.094 0.120 0.000 1.018 232 V CA -0.483 61.896 62.300 0.131 0.000 0.842 232 V CB 1.812 33.712 31.823 0.128 0.000 0.996 232 V HN 0.958 nan 8.190 nan 0.000 0.426 233 D N 5.592 126.063 120.400 0.119 0.000 2.338 233 D HA 0.212 4.842 4.640 -0.017 0.000 0.255 233 D C -0.401 175.978 176.300 0.132 0.000 1.237 233 D CA 0.280 54.343 54.000 0.105 0.000 0.883 233 D CB 1.316 42.162 40.800 0.076 0.000 1.087 233 D HN 0.353 nan 8.370 nan 0.000 0.485 234 V N 5.574 125.580 119.914 0.154 0.000 2.333 234 V HA 0.262 4.371 4.120 -0.017 0.000 0.274 234 V C 0.491 176.736 176.094 0.252 0.000 1.028 234 V CA -0.651 61.767 62.300 0.198 0.000 0.851 234 V CB 1.017 32.964 31.823 0.205 0.000 1.000 234 V HN 0.365 nan 8.190 nan 0.000 0.456 235 K N 5.324 125.856 120.400 0.220 0.000 2.118 235 K HA 0.815 5.124 4.320 -0.017 0.000 0.254 235 K C -0.771 176.012 176.600 0.305 0.000 0.961 235 K CA -0.400 55.997 56.287 0.183 0.000 0.876 235 K CB 1.823 34.370 32.500 0.078 0.000 1.077 235 K HN 0.611 nan 8.250 nan 0.000 0.440 236 F N -1.858 118.165 119.950 0.121 0.000 2.626 236 F HA 0.766 5.284 4.527 -0.015 0.000 0.311 236 F C 0.011 175.861 175.800 0.084 0.000 1.088 236 F CA -0.633 57.435 58.000 0.114 0.000 0.949 236 F CB 1.381 40.450 39.000 0.115 0.000 1.322 236 F HN 0.750 nan 8.300 nan 0.000 0.461 241 V N -0.140 119.755 119.914 -0.032 0.000 2.594 241 V HA -0.061 4.049 4.120 -0.017 0.000 0.253 241 V C 0.399 176.238 176.094 -0.424 0.000 1.069 241 V CA 1.978 64.106 62.300 -0.286 0.000 1.082 241 V CB -0.793 30.770 31.823 -0.433 0.000 0.680 241 V HN 0.550 nan 8.190 nan 0.000 0.469 242 F N -0.649 119.358 119.950 0.095 0.000 2.564 242 F HA 0.353 4.870 4.527 -0.018 0.000 0.361 242 F C -1.562 174.314 175.800 0.127 0.000 1.161 242 F CA -1.731 56.322 58.000 0.089 0.000 1.198 242 F CB 1.431 40.471 39.000 0.068 0.000 1.424 242 F HN 0.052 nan 8.300 nan 0.000 0.517 243 P HA -0.181 nan 4.420 nan 0.000 0.217 243 P C -0.213 177.230 177.300 0.239 0.000 1.148 243 P CA 1.373 64.606 63.100 0.223 0.000 0.834 243 P CB 0.084 31.875 31.700 0.152 0.000 0.783 244 N N -0.405 118.411 118.700 0.194 0.000 2.472 244 N HA 0.032 4.761 4.740 -0.017 0.000 0.277 244 N C 1.100 176.607 175.510 -0.004 0.000 1.081 244 N CA -0.042 53.063 53.050 0.092 0.000 0.973 244 N CB 0.587 39.099 38.487 0.041 0.000 1.105 244 N HN 0.115 nan 8.380 nan 0.000 0.470 245 Q N 2.085 121.806 119.800 -0.132 0.000 2.112 245 Q HA -0.294 4.036 4.340 -0.017 0.000 0.206 245 Q C 1.724 177.518 176.000 -0.342 0.000 0.987 245 Q CA 2.456 57.959 55.803 -0.501 0.000 0.858 245 Q CB 0.137 28.575 28.738 -0.501 0.000 0.905 245 Q HN 0.784 nan 8.270 nan 0.000 0.420 246 E N 0.623 120.702 120.200 -0.202 0.000 2.058 246 E HA -0.257 4.083 4.350 -0.017 0.000 0.194 246 E C 1.709 178.198 176.600 -0.185 0.000 0.997 246 E CA 1.588 57.888 56.400 -0.167 0.000 0.801 246 E CB -0.709 28.918 29.700 -0.122 0.000 0.746 246 E HN 0.485 nan 8.360 nan 0.000 0.450 247 Q N -0.835 118.838 119.800 -0.212 0.000 2.079 247 Q HA 0.007 4.337 4.340 -0.017 0.000 0.200 247 Q C 2.665 178.485 176.000 -0.300 0.000 0.974 247 Q CA 1.359 56.939 55.803 -0.371 0.000 0.840 247 Q CB -0.305 28.096 28.738 -0.561 0.000 0.898 247 Q HN 0.609 nan 8.270 nan 0.000 0.430 248 A N 1.571 124.328 122.820 -0.106 0.000 1.940 248 A HA -0.219 4.091 4.320 -0.017 0.000 0.219 248 A C 2.112 179.682 177.584 -0.023 0.000 1.176 248 A CA 1.389 53.447 52.037 0.035 0.000 0.631 248 A CB -0.438 18.616 19.000 0.090 0.000 0.814 248 A HN 0.262 nan 8.150 nan 0.000 0.446 249 R N -0.780 119.655 120.500 -0.107 0.000 2.092 249 R HA -0.113 4.216 4.340 -0.017 0.000 0.231 249 R C 2.256 178.522 176.300 -0.056 0.000 1.119 249 R CA 1.342 57.397 56.100 -0.074 0.000 0.970 249 R CB -0.324 29.915 30.300 -0.102 0.000 0.864 249 R HN 0.757 nan 8.270 nan 0.000 0.440 250 E N 0.906 121.048 120.200 -0.097 0.000 2.072 250 E HA -0.183 4.157 4.350 -0.017 0.000 0.191 250 E C 1.943 178.508 176.600 -0.059 0.000 0.985 250 E CA 0.696 57.040 56.400 -0.093 0.000 0.801 250 E CB 0.069 29.682 29.700 -0.146 0.000 0.750 250 E HN 0.070 nan 8.360 nan 0.000 0.452 251 L N 1.095 122.286 121.223 -0.054 0.000 2.012 251 L HA -0.148 4.181 4.340 -0.017 0.000 0.210 251 L C 2.259 179.162 176.870 0.055 0.000 1.073 251 L CA 2.294 57.155 54.840 0.036 0.000 0.748 251 L CB -0.914 41.233 42.059 0.145 0.000 0.891 251 L HN 0.144 nan 8.230 nan 0.000 0.431 252 A N 0.165 123.018 122.820 0.055 0.000 1.908 252 A HA -0.263 4.046 4.320 -0.017 0.000 0.218 252 A C 2.221 179.833 177.584 0.045 0.000 1.181 252 A CA 2.156 54.231 52.037 0.063 0.000 0.627 252 A CB -0.633 18.407 19.000 0.067 0.000 0.818 252 A HN 0.692 nan 8.150 nan 0.000 0.445 253 K N -1.626 118.789 120.400 0.025 0.000 2.365 253 K HA 0.065 4.374 4.320 -0.017 0.000 0.197 253 K C 1.418 178.029 176.600 0.019 0.000 1.042 253 K CA 1.437 57.736 56.287 0.020 0.000 0.987 253 K CB -0.328 32.175 32.500 0.006 0.000 0.779 253 K HN 0.221 nan 8.250 nan 0.000 0.484 254 T N 1.587 116.152 114.554 0.019 0.000 2.937 254 T HA 0.100 4.439 4.350 -0.017 0.000 0.260 254 T C 1.723 176.441 174.700 0.031 0.000 1.051 254 T CA 0.606 62.718 62.100 0.020 0.000 1.141 254 T CB -0.122 68.756 68.868 0.016 0.000 0.879 254 T HN 0.069 nan 8.240 nan 0.000 0.459 255 L N 0.742 121.990 121.223 0.041 0.000 2.046 255 L HA -0.078 4.251 4.340 -0.017 0.000 0.208 255 L C 2.599 179.494 176.870 0.042 0.000 1.077 255 L CA 1.000 55.867 54.840 0.045 0.000 0.747 255 L CB -0.565 41.529 42.059 0.058 0.000 0.896 255 L HN 0.130 nan 8.230 nan 0.000 0.432 256 V N -0.361 119.580 119.914 0.044 0.000 2.407 256 V HA -0.111 3.998 4.120 -0.017 0.000 0.245 256 V C 2.501 178.617 176.094 0.036 0.000 1.041 256 V CA 1.820 64.147 62.300 0.045 0.000 1.040 256 V CB -0.857 30.995 31.823 0.049 0.000 0.671 256 V HN 0.542 nan 8.190 nan 0.000 0.455 257 G N -0.276 108.542 108.800 0.030 0.000 2.394 257 G HA2 -0.162 3.787 3.960 -0.017 0.000 0.214 257 G HA3 -0.162 3.787 3.960 -0.017 0.000 0.214 257 G C 1.645 176.559 174.900 0.023 0.000 1.176 257 G CA 1.163 46.277 45.100 0.024 0.000 0.786 257 G HN 0.363 nan 8.290 nan 0.000 0.533 258 V N 1.590 121.519 119.914 0.024 0.000 2.427 258 V HA -0.018 4.092 4.120 -0.017 0.000 0.248 258 V C 3.109 179.219 176.094 0.026 0.000 1.051 258 V CA 1.783 64.097 62.300 0.023 0.000 1.048 258 V CB -0.924 30.913 31.823 0.024 0.000 0.666 258 V HN 0.422 nan 8.190 nan 0.000 0.456 259 G N 0.049 108.867 108.800 0.030 0.000 2.459 259 G HA2 -0.247 3.703 3.960 -0.017 0.000 0.217 259 G HA3 -0.247 3.703 3.960 -0.017 0.000 0.217 259 G C 1.792 176.710 174.900 0.030 0.000 1.183 259 G CA 1.120 46.239 45.100 0.032 0.000 0.776 259 G HN 0.597 nan 8.290 nan 0.000 0.552 260 A N 1.173 124.010 122.820 0.028 0.000 1.940 260 A HA -0.053 4.257 4.320 -0.017 0.000 0.219 260 A C 2.710 180.306 177.584 0.021 0.000 1.176 260 A CA 2.672 54.724 52.037 0.024 0.000 0.631 260 A CB -0.755 18.259 19.000 0.024 0.000 0.814 260 A HN 0.835 nan 8.150 nan 0.000 0.446 261 S N -0.679 115.033 115.700 0.021 0.000 2.474 261 S HA 0.064 4.523 4.470 -0.017 0.000 0.235 261 S C 1.251 175.863 174.600 0.019 0.000 0.997 261 S CA 1.082 59.293 58.200 0.018 0.000 0.949 261 S CB -0.390 62.820 63.200 0.017 0.000 0.766 261 S HN 0.400 nan 8.310 nan 0.000 0.517 262 L N 1.125 122.362 121.223 0.023 0.000 2.741 262 L HA 0.398 4.728 4.340 -0.017 0.000 0.237 262 L C 1.549 178.435 176.870 0.026 0.000 1.178 262 L CA 0.233 55.087 54.840 0.025 0.000 0.973 262 L CB -0.112 41.964 42.059 0.028 0.000 1.255 262 L HN 0.539 nan 8.230 nan 0.000 0.498 263 G N 0.590 109.405 108.800 0.024 0.000 2.143 263 G HA2 -0.285 3.664 3.960 -0.017 0.000 0.248 263 G HA3 -0.285 3.664 3.960 -0.017 0.000 0.248 263 G C -0.278 174.639 174.900 0.029 0.000 0.991 263 G CA 0.021 45.136 45.100 0.024 0.000 0.689 263 G HN 0.167 nan 8.290 nan 0.000 0.522 264 L N 0.567 121.809 121.223 0.032 0.000 2.296 264 L HA 0.700 5.029 4.340 -0.017 0.000 0.286 264 L C 0.737 177.626 176.870 0.031 0.000 1.023 264 L CA -1.533 53.329 54.840 0.037 0.000 0.812 264 L CB 1.235 43.320 42.059 0.044 0.000 1.223 264 L HN 0.241 nan 8.230 nan 0.000 0.421 265 R N 4.390 124.905 120.500 0.025 0.000 2.309 265 R HA 0.486 4.815 4.340 -0.017 0.000 0.331 265 R C -1.461 174.858 176.300 0.031 0.000 1.116 265 R CA -0.158 55.951 56.100 0.016 0.000 0.970 265 R CB 0.042 30.338 30.300 -0.007 0.000 1.024 265 R HN 0.558 nan 8.270 nan 0.000 0.472 266 V N 3.360 123.299 119.914 0.042 0.000 2.628 266 V HA 0.792 4.902 4.120 -0.017 0.000 0.306 266 V C -0.158 175.980 176.094 0.073 0.000 1.045 266 V CA -0.769 61.566 62.300 0.058 0.000 0.905 266 V CB 1.678 33.535 31.823 0.057 0.000 0.997 266 V HN 0.892 nan 8.190 nan 0.000 0.436 267 A N 2.726 125.601 122.820 0.093 0.000 2.469 267 A HA 1.024 5.334 4.320 -0.017 0.000 0.299 267 A C -0.561 177.084 177.584 0.102 0.000 1.098 267 A CA -0.343 51.761 52.037 0.111 0.000 0.737 267 A CB 1.963 21.060 19.000 0.161 0.000 1.312 267 A HN 1.488 nan 8.150 nan 0.000 0.414 268 A N 0.008 122.885 122.820 0.094 0.000 2.401 268 A HA 0.868 5.178 4.320 -0.017 0.000 0.310 268 A C -0.166 177.467 177.584 0.082 0.000 1.075 268 A CA 0.005 52.097 52.037 0.091 0.000 0.746 268 A CB 1.367 20.421 19.000 0.090 0.000 1.277 268 A HN 2.343 nan 8.150 nan 0.000 0.425 269 A N 1.620 124.488 122.820 0.081 0.000 2.330 269 A HA 0.708 5.017 4.320 -0.017 0.000 0.327 269 A C -0.754 176.897 177.584 0.113 0.000 1.155 269 A CA -0.408 51.666 52.037 0.061 0.000 0.803 269 A CB 0.503 19.519 19.000 0.028 0.000 1.208 269 A HN 0.809 nan 8.150 nan 0.000 0.477 270 L N 2.494 123.807 121.223 0.150 0.000 2.264 270 L HA 0.561 4.891 4.340 -0.017 0.000 0.289 270 L C 0.203 177.283 176.870 0.350 0.000 1.044 270 L CA -0.189 54.847 54.840 0.326 0.000 0.807 270 L CB 1.785 44.083 42.059 0.398 0.000 1.192 270 L HN 0.858 nan 8.230 nan 0.000 0.425 271 T N 0.343 115.076 114.554 0.297 0.000 2.937 271 T HA 0.646 4.986 4.350 -0.017 0.000 0.297 271 T C -0.297 174.258 174.700 -0.242 0.000 0.991 271 T CA -0.794 61.370 62.100 0.106 0.000 0.990 271 T CB 1.745 70.625 68.868 0.020 0.000 0.991 271 T HN 0.576 nan 8.240 nan 0.000 0.440 272 A N 4.956 127.525 122.820 -0.418 0.000 2.457 272 A HA 0.554 4.864 4.320 -0.017 0.000 0.298 272 A C 0.380 177.756 177.584 -0.348 0.000 1.288 272 A CA -0.617 50.890 52.037 -0.883 0.000 0.956 272 A CB -0.718 17.850 19.000 -0.719 0.000 1.135 272 A HN 1.079 nan 8.150 nan 0.000 0.535 273 M N 3.922 123.355 119.600 -0.278 0.000 2.480 273 M HA 0.273 4.743 4.480 -0.017 0.000 0.320 273 M C -0.210 176.041 176.300 -0.081 0.000 1.141 273 M CA -0.527 54.703 55.300 -0.117 0.000 1.102 273 M CB 0.463 33.028 32.600 -0.058 0.000 1.249 273 M HN 0.594 nan 8.290 nan 0.000 0.446 274 D N 1.881 122.235 120.400 -0.076 0.000 2.350 274 D HA 0.019 4.649 4.640 -0.017 0.000 0.213 274 D C -0.108 176.179 176.300 -0.021 0.000 1.031 274 D CA 0.422 54.400 54.000 -0.037 0.000 0.861 274 D CB 0.117 40.898 40.800 -0.031 0.000 0.926 274 D HN 0.645 nan 8.370 nan 0.000 0.520 275 K N -0.019 120.370 120.400 -0.019 0.000 2.340 275 K HA 0.608 4.917 4.320 -0.017 0.000 0.244 275 K C -3.249 173.350 176.600 -0.002 0.000 0.973 275 K CA -2.097 54.188 56.287 -0.004 0.000 0.828 275 K CB 1.779 34.281 32.500 0.003 0.000 1.226 275 K HN -0.287 nan 8.250 nan 0.000 0.437 276 P HA 0.091 nan 4.420 nan 0.000 0.275 276 P C -0.786 176.513 177.300 -0.001 0.000 1.228 276 P CA -0.676 62.426 63.100 0.004 0.000 0.786 276 P CB 0.406 32.112 31.700 0.010 0.000 0.927 277 L N 3.029 124.248 121.223 -0.007 0.000 2.360 277 L HA 0.452 4.781 4.340 -0.017 0.000 0.276 277 L C 1.058 177.918 176.870 -0.016 0.000 1.121 277 L CA 1.451 56.284 54.840 -0.012 0.000 0.845 277 L CB -0.838 41.212 42.059 -0.015 0.000 1.143 277 L HN 0.817 nan 8.230 nan 0.000 0.452 278 G N 5.040 113.831 108.800 -0.015 0.000 2.528 278 G HA2 -0.312 3.638 3.960 -0.017 0.000 0.262 278 G HA3 -0.312 3.638 3.960 -0.017 0.000 0.262 278 G C 0.624 175.517 174.900 -0.012 0.000 1.200 278 G CA 0.380 45.469 45.100 -0.019 0.000 0.951 278 G HN 0.677 nan 8.290 nan 0.000 0.566 279 R N -1.067 119.422 120.500 -0.018 0.000 2.476 279 R HA 0.422 4.752 4.340 -0.017 0.000 0.276 279 R C -0.199 176.087 176.300 -0.023 0.000 0.941 279 R CA 0.385 56.478 56.100 -0.012 0.000 1.088 279 R CB 0.499 30.792 30.300 -0.011 0.000 1.216 279 R HN 0.452 nan 8.270 nan 0.000 0.533 280 C N 0.482 119.760 119.300 -0.037 0.000 2.698 280 C HA 0.643 5.092 4.460 -0.017 0.000 0.309 280 C C -0.576 174.375 174.990 -0.065 0.000 1.186 280 C CA -0.746 58.235 59.018 -0.062 0.000 1.474 280 C CB 2.338 30.032 27.740 -0.078 0.000 2.020 280 C HN -0.018 nan 8.230 nan 0.000 0.474 281 V N 2.744 122.606 119.914 -0.086 0.000 2.623 281 V HA 0.972 5.081 4.120 -0.017 0.000 0.304 281 V C 0.378 176.379 176.094 -0.155 0.000 1.054 281 V CA 0.700 62.943 62.300 -0.095 0.000 0.882 281 V CB 1.176 32.961 31.823 -0.062 0.000 1.002 281 V HN 1.401 nan 8.190 nan 0.000 0.424 282 G N 3.252 111.918 108.800 -0.224 0.000 2.403 282 G HA2 0.165 4.115 3.960 -0.017 0.000 0.223 282 G HA3 0.165 4.115 3.960 -0.017 0.000 0.223 282 G C -0.397 174.254 174.900 -0.415 0.000 1.287 282 G CA 0.249 45.129 45.100 -0.365 0.000 0.982 282 G HN 0.647 nan 8.290 nan 0.000 0.471 283 H N -0.968 118.072 119.070 -0.051 0.000 2.258 283 H HA 0.504 5.049 4.556 -0.018 0.000 0.185 283 H C 2.700 177.994 175.328 -0.056 0.000 0.986 283 H CA 0.743 56.764 56.048 -0.044 0.000 1.166 283 H CB 0.186 29.929 29.762 -0.031 0.000 1.161 283 H HN 0.620 nan 8.280 nan 0.000 0.420 284 A N 1.362 124.223 122.820 0.068 0.000 1.940 284 A HA -0.130 4.180 4.320 -0.017 0.000 0.219 284 A C 2.110 179.665 177.584 -0.048 0.000 1.176 284 A CA 1.443 53.482 52.037 0.003 0.000 0.631 284 A CB -0.931 18.066 19.000 -0.004 0.000 0.814 284 A HN 0.294 nan 8.150 nan 0.000 0.446 285 L N -0.883 120.278 121.223 -0.103 0.000 2.083 285 L HA -0.188 4.142 4.340 -0.017 0.000 0.209 285 L C 2.525 179.339 176.870 -0.094 0.000 1.083 285 L CA 1.541 56.297 54.840 -0.140 0.000 0.752 285 L CB -0.515 41.412 42.059 -0.220 0.000 0.899 285 L HN 0.477 nan 8.230 nan 0.000 0.433 286 E N -0.545 119.609 120.200 -0.076 0.000 2.158 286 E HA -0.121 4.218 4.350 -0.017 0.000 0.191 286 E C 2.295 178.860 176.600 -0.058 0.000 0.982 286 E CA 0.711 57.073 56.400 -0.063 0.000 0.823 286 E CB 0.121 29.791 29.700 -0.051 0.000 0.766 286 E HN 0.267 nan 8.360 nan 0.000 0.468 287 V N 1.546 121.438 119.914 -0.036 0.000 2.295 287 V HA -0.270 3.839 4.120 -0.017 0.000 0.246 287 V C 2.006 178.076 176.094 -0.040 0.000 1.049 287 V CA 1.924 64.209 62.300 -0.024 0.000 1.024 287 V CB -0.438 31.398 31.823 0.022 0.000 0.648 287 V HN 0.208 nan 8.190 nan 0.000 0.447 288 E N -0.258 119.921 120.200 -0.035 0.000 2.085 288 E HA -0.283 4.057 4.350 -0.017 0.000 0.194 288 E C 2.298 178.865 176.600 -0.055 0.000 0.994 288 E CA 1.721 58.099 56.400 -0.036 0.000 0.801 288 E CB -0.101 29.576 29.700 -0.039 0.000 0.743 288 E HN 0.695 nan 8.360 nan 0.000 0.453 289 E N -0.205 119.955 120.200 -0.067 0.000 2.158 289 E HA -0.080 4.259 4.350 -0.017 0.000 0.191 289 E C 1.960 178.504 176.600 -0.094 0.000 0.982 289 E CA 0.659 57.017 56.400 -0.070 0.000 0.823 289 E CB 0.004 29.666 29.700 -0.064 0.000 0.766 289 E HN 0.234 nan 8.360 nan 0.000 0.468 290 A N 1.051 123.798 122.820 -0.123 0.000 1.933 290 A HA -0.147 4.163 4.320 -0.017 0.000 0.218 290 A C 2.122 179.570 177.584 -0.228 0.000 1.175 290 A CA 0.974 52.900 52.037 -0.186 0.000 0.628 290 A CB -0.572 18.282 19.000 -0.244 0.000 0.814 290 A HN 0.292 nan 8.150 nan 0.000 0.444 291 L N -1.293 119.814 121.223 -0.193 0.000 2.046 291 L HA -0.167 4.162 4.340 -0.017 0.000 0.208 291 L C 2.493 179.306 176.870 -0.095 0.000 1.077 291 L CA 0.802 55.553 54.840 -0.148 0.000 0.747 291 L CB -0.519 41.508 42.059 -0.053 0.000 0.896 291 L HN 0.347 nan 8.230 nan 0.000 0.432 292 L N -0.308 120.871 121.223 -0.075 0.000 2.013 292 L HA -0.309 4.020 4.340 -0.017 0.000 0.212 292 L C 2.746 179.579 176.870 -0.062 0.000 1.073 292 L CA 1.771 56.578 54.840 -0.055 0.000 0.753 292 L CB -0.850 41.180 42.059 -0.047 0.000 0.890 292 L HN 0.416 nan 8.230 nan 0.000 0.432 293 C N -0.561 118.690 119.300 -0.080 0.000 2.413 293 C HA -0.232 4.218 4.460 -0.017 0.000 0.276 293 C C 2.800 177.740 174.990 -0.083 0.000 1.248 293 C CA 1.209 60.179 59.018 -0.080 0.000 1.742 293 C CB -0.677 27.007 27.740 -0.094 0.000 2.017 293 C HN 0.570 nan 8.230 nan 0.000 0.481 294 M N 0.140 119.674 119.600 -0.109 0.000 2.562 294 M HA -0.030 4.440 4.480 -0.017 0.000 0.257 294 M C 0.916 177.182 176.300 -0.055 0.000 1.099 294 M CA 0.989 56.230 55.300 -0.098 0.000 1.099 294 M CB -0.332 32.177 32.600 -0.151 0.000 1.427 294 M HN 0.341 nan 8.290 nan 0.000 0.489 295 D N 0.103 120.475 120.400 -0.047 0.000 2.349 295 D HA 0.095 4.724 4.640 -0.017 0.000 0.224 295 D C 1.426 177.710 176.300 -0.026 0.000 1.029 295 D CA 0.757 54.740 54.000 -0.028 0.000 0.879 295 D CB 0.104 40.890 40.800 -0.023 0.000 0.906 295 D HN 0.476 nan 8.370 nan 0.000 0.528 296 G N 0.055 108.835 108.800 -0.034 0.000 2.148 296 G HA2 -0.198 3.751 3.960 -0.017 0.000 0.254 296 G HA3 -0.198 3.751 3.960 -0.017 0.000 0.254 296 G C 0.610 175.494 174.900 -0.027 0.000 0.981 296 G CA 0.528 45.611 45.100 -0.029 0.000 0.670 296 G HN 0.632 nan 8.290 nan 0.000 0.528 297 A N -0.979 121.823 122.820 -0.030 0.000 3.791 297 A HA 1.133 5.443 4.320 -0.017 0.000 0.159 297 A C 1.540 179.104 177.584 -0.032 0.000 1.359 297 A CA 0.931 52.952 52.037 -0.027 0.000 0.899 297 A CB 0.411 19.397 19.000 -0.023 0.000 1.642 297 A HN 2.432 nan 8.150 nan 0.000 0.612 298 G N -1.815 106.967 108.800 -0.030 0.000 2.710 298 G HA2 0.131 4.081 3.960 -0.017 0.000 0.668 298 G HA3 0.131 4.081 3.960 -0.017 0.000 0.668 298 G C -3.017 171.866 174.900 -0.029 0.000 1.320 298 G CA -0.367 44.712 45.100 -0.034 0.000 0.860 298 G HN 0.850 nan 8.290 nan 0.000 0.538 299 P HA 0.333 nan 4.420 nan 0.000 0.271 299 P C -1.989 175.297 177.300 -0.023 0.000 1.216 299 P CA -1.295 61.791 63.100 -0.023 0.000 0.776 299 P CB 0.528 32.215 31.700 -0.022 0.000 0.881 300 P HA -0.170 nan 4.420 nan 0.000 0.218 300 P C 1.111 178.402 177.300 -0.015 0.000 1.149 300 P CA 1.376 64.466 63.100 -0.016 0.000 0.817 300 P CB -0.048 31.646 31.700 -0.011 0.000 0.785 301 D N -0.291 120.101 120.400 -0.013 0.000 2.149 301 D HA -0.141 4.488 4.640 -0.017 0.000 0.201 301 D C 1.922 178.211 176.300 -0.019 0.000 0.972 301 D CA 0.895 54.888 54.000 -0.012 0.000 0.835 301 D CB -1.089 39.707 40.800 -0.006 0.000 0.966 301 D HN 0.087 nan 8.370 nan 0.000 0.476 302 L N 0.824 122.032 121.223 -0.024 0.000 2.017 302 L HA -0.060 4.270 4.340 -0.017 0.000 0.208 302 L C 2.658 179.507 176.870 -0.035 0.000 1.073 302 L CA 1.591 56.411 54.840 -0.032 0.000 0.745 302 L CB -0.675 41.360 42.059 -0.040 0.000 0.894 302 L HN -0.077 nan 8.230 nan 0.000 0.432 303 R N -0.496 119.984 120.500 -0.034 0.000 2.073 303 R HA -0.235 4.095 4.340 -0.017 0.000 0.234 303 R C 2.131 178.413 176.300 -0.029 0.000 1.134 303 R CA 2.020 58.100 56.100 -0.034 0.000 0.952 303 R CB -0.558 29.724 30.300 -0.030 0.000 0.850 303 R HN 0.612 nan 8.270 nan 0.000 0.433 304 D N -0.077 120.308 120.400 -0.025 0.000 2.123 304 D HA -0.208 4.422 4.640 -0.017 0.000 0.196 304 D C 1.866 178.149 176.300 -0.029 0.000 0.992 304 D CA 1.118 55.103 54.000 -0.025 0.000 0.833 304 D CB -0.013 40.774 40.800 -0.021 0.000 0.954 304 D HN 0.221 nan 8.370 nan 0.000 0.455 305 L N -0.254 120.952 121.223 -0.028 0.000 2.131 305 L HA 0.011 4.340 4.340 -0.017 0.000 0.206 305 L C 2.213 179.068 176.870 -0.026 0.000 1.087 305 L CA 0.935 55.758 54.840 -0.029 0.000 0.767 305 L CB -0.340 41.704 42.059 -0.025 0.000 0.917 305 L HN 0.026 nan 8.230 nan 0.000 0.441 306 V N -0.199 119.697 119.914 -0.029 0.000 2.255 306 V HA -0.351 3.759 4.120 -0.017 0.000 0.247 306 V C 2.696 178.776 176.094 -0.023 0.000 1.051 306 V CA 2.383 64.664 62.300 -0.030 0.000 1.018 306 V CB -1.405 30.392 31.823 -0.042 0.000 0.641 306 V HN 0.741 nan 8.190 nan 0.000 0.445 307 T N -3.109 111.431 114.554 -0.024 0.000 2.777 307 T HA -0.196 4.143 4.350 -0.017 0.000 0.266 307 T C 1.827 176.518 174.700 -0.016 0.000 1.040 307 T CA 1.923 64.012 62.100 -0.019 0.000 1.141 307 T CB -0.786 68.070 68.868 -0.020 0.000 0.868 307 T HN 0.438 nan 8.240 nan 0.000 0.444 308 T N 2.415 116.954 114.554 -0.025 0.000 2.652 308 T HA 0.059 4.399 4.350 -0.017 0.000 0.267 308 T C 1.897 176.586 174.700 -0.018 0.000 1.039 308 T CA 1.407 63.486 62.100 -0.034 0.000 1.153 308 T CB -0.510 68.327 68.868 -0.051 0.000 0.863 308 T HN 0.271 nan 8.240 nan 0.000 0.428 309 L N 0.263 121.480 121.223 -0.009 0.000 2.109 309 L HA 0.073 4.402 4.340 -0.017 0.000 0.207 309 L C 2.978 179.866 176.870 0.029 0.000 1.086 309 L CA 1.201 56.048 54.840 0.011 0.000 0.760 309 L CB -0.811 41.254 42.059 0.010 0.000 0.910 309 L HN 0.372 nan 8.230 nan 0.000 0.437 310 G N -0.447 108.364 108.800 0.018 0.000 2.403 310 G HA2 -0.124 3.825 3.960 -0.017 0.000 0.216 310 G HA3 -0.124 3.825 3.960 -0.017 0.000 0.216 310 G C 1.558 176.486 174.900 0.047 0.000 1.154 310 G CA 0.631 45.746 45.100 0.025 0.000 0.784 310 G HN 0.449 nan 8.290 nan 0.000 0.538 311 G N 1.485 110.309 108.800 0.040 0.000 2.545 311 G HA2 -0.062 3.888 3.960 -0.017 0.000 0.217 311 G HA3 -0.062 3.888 3.960 -0.017 0.000 0.217 311 G C 2.121 177.091 174.900 0.117 0.000 1.218 311 G CA 1.913 47.048 45.100 0.060 0.000 0.787 311 G HN 0.669 nan 8.290 nan 0.000 0.571 312 A N 0.338 123.215 122.820 0.094 0.000 1.940 312 A HA -0.115 4.194 4.320 -0.017 0.000 0.221 312 A C 2.445 180.193 177.584 0.274 0.000 1.190 312 A CA 1.815 53.953 52.037 0.168 0.000 0.647 312 A CB -0.578 18.478 19.000 0.094 0.000 0.821 312 A HN 0.400 nan 8.150 nan 0.000 0.457 313 L N -0.977 120.347 121.223 0.168 0.000 2.093 313 L HA -0.108 4.222 4.340 -0.017 0.000 0.208 313 L C 2.523 179.476 176.870 0.139 0.000 1.085 313 L CA 1.223 56.146 54.840 0.138 0.000 0.755 313 L CB -0.256 41.854 42.059 0.085 0.000 0.904 313 L HN 0.453 nan 8.230 nan 0.000 0.435 314 L N -1.664 119.648 121.223 0.149 0.000 2.056 314 L HA -0.256 4.073 4.340 -0.017 0.000 0.207 314 L C 2.356 179.331 176.870 0.175 0.000 1.078 314 L CA 1.537 56.472 54.840 0.159 0.000 0.749 314 L CB -0.620 41.519 42.059 0.133 0.000 0.901 314 L HN 0.461 nan 8.230 nan 0.000 0.433 315 W N 0.590 121.910 121.300 0.034 0.000 2.335 315 W HA -0.253 4.396 4.660 -0.018 0.000 0.311 315 W C 2.310 178.835 176.519 0.010 0.000 1.213 315 W CA 1.390 58.745 57.345 0.017 0.000 1.274 315 W CB -0.266 29.200 29.460 0.009 0.000 1.148 315 W HN -0.029 nan 8.180 nan 0.000 0.498 316 L N 1.155 122.291 121.223 -0.144 0.000 2.083 316 L HA -0.195 4.134 4.340 -0.017 0.000 0.209 316 L C 2.496 179.182 176.870 -0.307 0.000 1.083 316 L CA 2.255 56.846 54.840 -0.414 0.000 0.752 316 L CB -0.925 41.129 42.059 -0.008 0.000 0.899 316 L HN 0.267 nan 8.230 nan 0.000 0.433 317 S N -1.481 114.139 115.700 -0.133 0.000 2.562 317 S HA 0.094 4.554 4.470 -0.017 0.000 0.221 317 S C 1.360 175.818 174.600 -0.238 0.000 0.975 317 S CA 0.439 58.587 58.200 -0.087 0.000 0.918 317 S CB 0.383 63.648 63.200 0.107 0.000 0.772 317 S HN 0.593 nan 8.310 nan 0.000 0.531 318 G N 0.683 109.307 108.800 -0.293 0.000 2.132 318 G HA2 -0.238 3.712 3.960 -0.017 0.000 0.228 318 G HA3 -0.238 3.712 3.960 -0.017 0.000 0.228 318 G C 0.150 174.830 174.900 -0.366 0.000 1.000 318 G CA 0.376 45.268 45.100 -0.347 0.000 0.693 318 G HN 0.684 nan 8.290 nan 0.000 0.515 319 H N -0.128 118.914 119.070 -0.047 0.000 2.586 319 H HA 0.623 5.168 4.556 -0.017 0.000 0.273 319 H C 1.277 176.614 175.328 0.015 0.000 0.997 319 H CA 0.970 57.009 56.048 -0.015 0.000 1.177 319 H CB 0.935 30.687 29.762 -0.017 0.000 1.471 319 H HN 0.769 nan 8.280 nan 0.000 0.538 320 A N -0.327 122.563 122.820 0.118 0.000 2.449 320 A HA 0.556 4.866 4.320 -0.017 0.000 0.302 320 A C 1.343 179.028 177.584 0.168 0.000 1.048 320 A CA -0.225 51.895 52.037 0.138 0.000 0.708 320 A CB 1.110 20.209 19.000 0.164 0.000 1.274 320 A HN 0.303 nan 8.150 nan 0.000 0.410 321 G N 0.373 109.262 108.800 0.150 0.000 2.421 321 G HA2 0.313 4.262 3.960 -0.017 0.000 0.217 321 G HA3 0.313 4.262 3.960 -0.017 0.000 0.217 321 G C 0.761 175.836 174.900 0.293 0.000 1.143 321 G CA 1.649 46.856 45.100 0.178 0.000 0.784 321 G HN 1.480 nan 8.290 nan 0.000 0.541 322 T N -4.082 110.600 114.554 0.212 0.000 2.865 322 T HA 0.460 4.800 4.350 -0.017 0.000 0.294 322 T C 0.713 175.430 174.700 0.028 0.000 1.119 322 T CA -0.266 61.886 62.100 0.087 0.000 1.007 322 T CB 2.166 71.043 68.868 0.014 0.000 1.225 322 T HN -0.048 nan 8.240 nan 0.000 0.515 323 Q N 1.226 120.942 119.800 -0.141 0.000 2.030 323 Q HA -0.025 4.305 4.340 -0.017 0.000 0.204 323 Q C 2.362 178.335 176.000 -0.044 0.000 0.986 323 Q CA 2.879 58.610 55.803 -0.119 0.000 0.843 323 Q CB -1.100 27.513 28.738 -0.210 0.000 0.904 323 Q HN 0.919 nan 8.270 nan 0.000 0.420 324 A N 0.264 123.057 122.820 -0.046 0.000 1.877 324 A HA -0.269 4.040 4.320 -0.017 0.000 0.216 324 A C 2.107 179.691 177.584 0.001 0.000 1.186 324 A CA 1.797 53.819 52.037 -0.024 0.000 0.620 324 A CB -0.925 18.060 19.000 -0.025 0.000 0.822 324 A HN 0.666 nan 8.150 nan 0.000 0.443 325 Q N -0.493 119.317 119.800 0.017 0.000 2.061 325 Q HA -0.139 4.190 4.340 -0.017 0.000 0.204 325 Q C 2.027 178.052 176.000 0.042 0.000 0.984 325 Q CA 2.040 57.862 55.803 0.033 0.000 0.846 325 Q CB -0.640 28.128 28.738 0.051 0.000 0.902 325 Q HN 0.537 nan 8.270 nan 0.000 0.421 326 G N 0.176 109.013 108.800 0.061 0.000 2.418 326 G HA2 -0.240 3.709 3.960 -0.017 0.000 0.217 326 G HA3 -0.240 3.709 3.960 -0.017 0.000 0.217 326 G C 1.464 176.386 174.900 0.036 0.000 1.158 326 G CA 0.902 46.044 45.100 0.070 0.000 0.771 326 G HN 0.525 nan 8.290 nan 0.000 0.545 327 A N 1.013 123.844 122.820 0.018 0.000 1.930 327 A HA 0.375 4.685 4.320 -0.017 0.000 0.217 327 A C 2.770 180.353 177.584 -0.001 0.000 1.175 327 A CA 2.007 54.045 52.037 0.002 0.000 0.627 327 A CB -0.647 18.345 19.000 -0.014 0.000 0.815 327 A HN 0.738 nan 8.150 nan 0.000 0.443 328 A N -0.495 122.326 122.820 0.002 0.000 1.969 328 A HA -0.092 4.218 4.320 -0.017 0.000 0.218 328 A C 2.191 179.776 177.584 0.002 0.000 1.169 328 A CA 1.536 53.574 52.037 0.001 0.000 0.635 328 A CB -0.390 18.611 19.000 0.003 0.000 0.810 328 A HN 0.506 nan 8.150 nan 0.000 0.445 329 R N -0.737 119.769 120.500 0.009 0.000 2.073 329 R HA -0.082 4.248 4.340 -0.017 0.000 0.234 329 R C 2.030 178.328 176.300 -0.004 0.000 1.134 329 R CA 1.661 57.765 56.100 0.006 0.000 0.952 329 R CB -0.415 29.895 30.300 0.016 0.000 0.850 329 R HN 0.348 nan 8.270 nan 0.000 0.433 330 V N 0.576 120.487 119.914 -0.004 0.000 2.358 330 V HA -0.224 3.886 4.120 -0.017 0.000 0.246 330 V C 2.325 178.408 176.094 -0.018 0.000 1.047 330 V CA 1.892 64.184 62.300 -0.013 0.000 1.035 330 V CB -0.698 31.119 31.823 -0.010 0.000 0.658 330 V HN 0.477 nan 8.190 nan 0.000 0.452 331 A N 0.204 123.015 122.820 -0.015 0.000 1.908 331 A HA -0.193 4.117 4.320 -0.017 0.000 0.218 331 A C 2.418 179.992 177.584 -0.016 0.000 1.181 331 A CA 2.288 54.315 52.037 -0.017 0.000 0.627 331 A CB -0.837 18.155 19.000 -0.014 0.000 0.818 331 A HN 0.596 nan 8.150 nan 0.000 0.445 332 A N -0.443 122.369 122.820 -0.013 0.000 1.972 332 A HA 0.196 4.505 4.320 -0.017 0.000 0.219 332 A C 2.423 179.998 177.584 -0.015 0.000 1.169 332 A CA 1.920 53.950 52.037 -0.012 0.000 0.635 332 A CB -0.812 18.183 19.000 -0.008 0.000 0.810 332 A HN 1.054 nan 8.150 nan 0.000 0.446 333 A N -0.222 122.587 122.820 -0.019 0.000 1.968 333 A HA 0.063 4.373 4.320 -0.017 0.000 0.217 333 A C 2.055 179.625 177.584 -0.024 0.000 1.169 333 A CA 1.225 53.249 52.037 -0.022 0.000 0.638 333 A CB -0.490 18.494 19.000 -0.027 0.000 0.812 333 A HN 0.469 nan 8.150 nan 0.000 0.446 334 L N -0.630 120.576 121.223 -0.028 0.000 2.201 334 L HA -0.131 4.198 4.340 -0.017 0.000 0.212 334 L C 1.466 178.319 176.870 -0.027 0.000 1.105 334 L CA 1.148 55.967 54.840 -0.034 0.000 0.775 334 L CB -0.458 41.578 42.059 -0.038 0.000 0.913 334 L HN 0.286 nan 8.230 nan 0.000 0.440 335 D N -0.485 119.902 120.400 -0.021 0.000 2.301 335 D HA -0.092 4.537 4.640 -0.017 0.000 0.206 335 D C 1.258 177.550 176.300 -0.012 0.000 0.979 335 D CA 0.851 54.841 54.000 -0.016 0.000 0.874 335 D CB 0.029 40.821 40.800 -0.014 0.000 0.968 335 D HN 0.434 nan 8.370 nan 0.000 0.510 336 D N -0.694 119.699 120.400 -0.011 0.000 2.342 336 D HA 0.142 4.772 4.640 -0.017 0.000 0.221 336 D C 1.515 177.812 176.300 -0.006 0.000 1.101 336 D CA 0.463 54.458 54.000 -0.008 0.000 0.837 336 D CB 0.009 40.804 40.800 -0.008 0.000 0.938 336 D HN 0.147 nan 8.370 nan 0.000 0.508 337 G N 0.411 109.207 108.800 -0.007 0.000 2.184 337 G HA2 -0.399 3.551 3.960 -0.017 0.000 0.264 337 G HA3 -0.399 3.551 3.960 -0.017 0.000 0.264 337 G C 1.271 176.173 174.900 0.003 0.000 0.975 337 G CA 1.055 46.154 45.100 -0.001 0.000 0.642 337 G HN 0.701 nan 8.290 nan 0.000 0.536 338 S N -0.090 115.609 115.700 -0.003 0.000 2.414 338 S HA 0.407 4.866 4.470 -0.017 0.000 0.227 338 S C 2.618 177.220 174.600 0.003 0.000 1.022 338 S CA 1.424 59.623 58.200 -0.001 0.000 0.958 338 S CB -0.316 62.878 63.200 -0.010 0.000 0.797 338 S HN 1.683 nan 8.310 nan 0.000 0.493 339 A N 2.258 125.075 122.820 -0.005 0.000 1.877 339 A HA 0.042 4.352 4.320 -0.017 0.000 0.216 339 A C 2.232 179.837 177.584 0.035 0.000 1.186 339 A CA 1.643 53.678 52.037 -0.002 0.000 0.620 339 A CB -1.083 17.897 19.000 -0.034 0.000 0.822 339 A HN 0.535 nan 8.150 nan 0.000 0.443 340 L N 0.232 121.471 121.223 0.028 0.000 2.013 340 L HA -0.124 4.205 4.340 -0.017 0.000 0.212 340 L C 2.420 179.364 176.870 0.123 0.000 1.073 340 L CA 2.516 57.402 54.840 0.078 0.000 0.753 340 L CB -1.054 41.031 42.059 0.042 0.000 0.890 340 L HN 0.326 nan 8.230 nan 0.000 0.432 341 G N -1.139 107.702 108.800 0.069 0.000 2.422 341 G HA2 -0.245 3.705 3.960 -0.017 0.000 0.218 341 G HA3 -0.245 3.705 3.960 -0.017 0.000 0.218 341 G C 1.627 176.563 174.900 0.059 0.000 1.146 341 G CA 0.481 45.614 45.100 0.054 0.000 0.769 341 G HN 0.267 nan 8.290 nan 0.000 0.547 342 R N -0.374 120.164 120.500 0.063 0.000 2.115 342 R HA 0.023 4.352 4.340 -0.017 0.000 0.230 342 R C 2.143 178.510 176.300 0.112 0.000 1.111 342 R CA 0.502 56.637 56.100 0.058 0.000 0.976 342 R CB -1.054 29.266 30.300 0.033 0.000 0.870 342 R HN 0.479 nan 8.270 nan 0.000 0.445 343 F N 2.004 121.950 119.950 -0.008 0.000 2.146 343 F HA -0.090 4.432 4.527 -0.007 0.000 0.298 343 F C 2.338 178.153 175.800 0.024 0.000 1.096 343 F CA 1.296 59.300 58.000 0.006 0.000 1.275 343 F CB -0.156 38.840 39.000 -0.007 0.000 1.008 343 F HN 0.052 nan 8.300 nan 0.000 0.480 344 E N -0.054 120.159 120.200 0.022 0.000 2.077 344 E HA -0.216 4.123 4.350 -0.017 0.000 0.193 344 E C 2.370 178.926 176.600 -0.075 0.000 0.989 344 E CA 0.880 57.242 56.400 -0.064 0.000 0.800 344 E CB 0.001 29.710 29.700 0.016 0.000 0.746 344 E HN 0.239 nan 8.360 nan 0.000 0.452 345 R N 0.258 120.738 120.500 -0.033 0.000 2.083 345 R HA -0.168 4.162 4.340 -0.017 0.000 0.237 345 R C 2.357 178.626 176.300 -0.050 0.000 1.137 345 R CA 1.454 57.534 56.100 -0.032 0.000 0.951 345 R CB -0.852 29.439 30.300 -0.016 0.000 0.851 345 R HN 0.386 nan 8.270 nan 0.000 0.434 346 M N 0.537 120.103 119.600 -0.056 0.000 2.117 346 M HA -0.147 4.323 4.480 -0.017 0.000 0.262 346 M C 2.119 178.381 176.300 -0.063 0.000 1.065 346 M CA 1.556 56.830 55.300 -0.044 0.000 1.114 346 M CB -0.034 32.567 32.600 0.001 0.000 1.361 346 M HN 0.070 nan 8.290 nan 0.000 0.408 347 L N -0.153 120.979 121.223 -0.152 0.000 1.994 347 L HA -0.180 4.150 4.340 -0.017 0.000 0.208 347 L C 2.755 179.581 176.870 -0.073 0.000 1.071 347 L CA 1.422 56.216 54.840 -0.077 0.000 0.745 347 L CB -1.033 40.898 42.059 -0.213 0.000 0.892 347 L HN 0.388 nan 8.230 nan 0.000 0.431 348 A N -0.080 122.692 122.820 -0.081 0.000 1.933 348 A HA -0.143 4.167 4.320 -0.017 0.000 0.218 348 A C 2.472 180.009 177.584 -0.079 0.000 1.175 348 A CA 1.630 53.627 52.037 -0.066 0.000 0.628 348 A CB -0.666 18.306 19.000 -0.048 0.000 0.814 348 A HN 0.421 nan 8.150 nan 0.000 0.444 349 A N -1.100 121.674 122.820 -0.077 0.000 2.019 349 A HA -0.132 4.178 4.320 -0.017 0.000 0.219 349 A C 1.863 179.370 177.584 -0.128 0.000 1.164 349 A CA 1.405 53.396 52.037 -0.076 0.000 0.644 349 A CB -0.325 18.646 19.000 -0.049 0.000 0.805 349 A HN 0.635 nan 8.150 nan 0.000 0.449 350 Q N -1.696 117.974 119.800 -0.217 0.000 2.201 350 Q HA 0.330 4.659 4.340 -0.017 0.000 0.217 350 Q C 0.848 176.606 176.000 -0.403 0.000 0.860 350 Q CA 0.273 55.840 55.803 -0.394 0.000 0.984 350 Q CB 0.332 28.621 28.738 -0.748 0.000 1.095 350 Q HN 0.810 nan 8.270 nan 0.000 0.477 351 G N -0.087 108.579 108.800 -0.223 0.000 2.179 351 G HA2 -0.230 3.719 3.960 -0.017 0.000 0.220 351 G HA3 -0.230 3.719 3.960 -0.017 0.000 0.220 351 G C 0.221 175.063 174.900 -0.097 0.000 0.990 351 G CA -0.199 44.810 45.100 -0.153 0.000 0.646 351 G HN 0.228 nan 8.290 nan 0.000 0.517 352 V N 2.554 122.421 119.914 -0.077 0.000 2.529 352 V HA 0.233 4.342 4.120 -0.017 0.000 0.292 352 V C 1.042 177.122 176.094 -0.025 0.000 1.028 352 V CA -0.172 62.120 62.300 -0.014 0.000 1.074 352 V CB 1.325 33.165 31.823 0.029 0.000 0.958 352 V HN 0.455 nan 8.190 nan 0.000 0.481 353 D N 7.652 128.043 120.400 -0.014 0.000 2.583 353 D HA -0.024 4.605 4.640 -0.017 0.000 0.232 353 D C -1.467 174.824 176.300 -0.014 0.000 1.128 353 D CA -0.971 53.020 54.000 -0.014 0.000 0.859 353 D CB 1.754 42.550 40.800 -0.007 0.000 1.169 353 D HN 0.263 nan 8.370 nan 0.000 0.481 354 P HA -0.048 nan 4.420 nan 0.000 0.217 354 P C 1.324 178.619 177.300 -0.009 0.000 1.150 354 P CA 1.121 64.212 63.100 -0.016 0.000 0.832 354 P CB 0.026 31.718 31.700 -0.014 0.000 0.787 355 G N 0.357 109.153 108.800 -0.006 0.000 2.418 355 G HA2 -0.241 3.708 3.960 -0.017 0.000 0.217 355 G HA3 -0.241 3.708 3.960 -0.017 0.000 0.217 355 G C 1.454 176.355 174.900 0.001 0.000 1.158 355 G CA 0.608 45.707 45.100 -0.001 0.000 0.771 355 G HN 0.237 nan 8.290 nan 0.000 0.545 356 L N 1.396 122.620 121.223 0.001 0.000 2.056 356 L HA 0.221 4.551 4.340 -0.017 0.000 0.207 356 L C 3.046 179.919 176.870 0.005 0.000 1.078 356 L CA 1.998 56.842 54.840 0.006 0.000 0.749 356 L CB -0.841 41.222 42.059 0.008 0.000 0.901 356 L HN 0.236 nan 8.230 nan 0.000 0.433 357 A N -0.353 122.464 122.820 -0.005 0.000 1.883 357 A HA -0.233 4.077 4.320 -0.017 0.000 0.217 357 A C 2.444 180.029 177.584 0.002 0.000 1.186 357 A CA 1.773 53.800 52.037 -0.016 0.000 0.624 357 A CB -0.604 18.373 19.000 -0.038 0.000 0.822 357 A HN 0.443 nan 8.150 nan 0.000 0.444 358 R N -0.738 119.764 120.500 0.004 0.000 2.083 358 R HA -0.155 4.174 4.340 -0.017 0.000 0.237 358 R C 2.485 178.796 176.300 0.019 0.000 1.137 358 R CA 1.500 57.607 56.100 0.012 0.000 0.951 358 R CB -0.857 29.447 30.300 0.008 0.000 0.851 358 R HN 0.539 nan 8.270 nan 0.000 0.434 359 A N 0.842 123.671 122.820 0.016 0.000 1.978 359 A HA -0.130 4.180 4.320 -0.017 0.000 0.220 359 A C 2.287 179.887 177.584 0.027 0.000 1.170 359 A CA 1.136 53.184 52.037 0.018 0.000 0.636 359 A CB -0.389 18.620 19.000 0.015 0.000 0.810 359 A HN 0.205 nan 8.150 nan 0.000 0.448 360 L N -1.376 119.868 121.223 0.034 0.000 2.049 360 L HA -0.155 4.174 4.340 -0.017 0.000 0.203 360 L C 2.659 179.571 176.870 0.070 0.000 1.074 360 L CA 1.148 56.019 54.840 0.052 0.000 0.749 360 L CB -0.436 41.660 42.059 0.062 0.000 0.907 360 L HN 0.469 nan 8.230 nan 0.000 0.439 361 C N -1.198 118.150 119.300 0.080 0.000 2.446 361 C HA -0.087 4.362 4.460 -0.017 0.000 0.277 361 C C 2.965 177.989 174.990 0.056 0.000 1.275 361 C CA 0.877 59.953 59.018 0.095 0.000 1.727 361 C CB -0.556 27.252 27.740 0.112 0.000 2.010 361 C HN 0.457 nan 8.230 nan 0.000 0.486 362 S N 0.134 115.858 115.700 0.040 0.000 2.470 362 S HA 0.129 4.588 4.470 -0.017 0.000 0.225 362 S C 1.264 175.877 174.600 0.021 0.000 1.006 362 S CA 0.539 58.755 58.200 0.026 0.000 0.934 362 S CB -0.283 62.929 63.200 0.020 0.000 0.778 362 S HN 0.731 nan 8.310 nan 0.000 0.517 363 G N 1.978 110.792 108.800 0.023 0.000 2.667 363 G HA2 0.347 4.297 3.960 -0.017 0.000 0.250 363 G HA3 0.347 4.297 3.960 -0.017 0.000 0.250 363 G C 0.082 174.990 174.900 0.014 0.000 1.212 363 G CA -0.386 44.725 45.100 0.018 0.000 0.874 363 G HN 0.422 nan 8.290 nan 0.000 0.561 364 S N 0.775 116.481 115.700 0.011 0.000 2.603 364 S HA 0.304 4.763 4.470 -0.017 0.000 0.268 364 S C -1.535 173.069 174.600 0.007 0.000 1.317 364 S CA -0.924 57.281 58.200 0.007 0.000 1.012 364 S CB 1.662 64.866 63.200 0.005 0.000 0.926 364 S HN 0.287 nan 8.310 nan 0.000 0.539 365 P HA -0.272 nan 4.420 nan 0.000 0.219 365 P C 1.592 178.895 177.300 0.006 0.000 1.158 365 P CA 2.515 65.615 63.100 0.001 0.000 0.895 365 P CB -0.286 31.413 31.700 -0.002 0.000 0.792 366 A N -0.578 122.245 122.820 0.006 0.000 1.898 366 A HA -0.234 4.075 4.320 -0.017 0.000 0.216 366 A C 2.162 179.753 177.584 0.011 0.000 1.181 366 A CA 1.771 53.813 52.037 0.009 0.000 0.620 366 A CB -1.192 17.812 19.000 0.007 0.000 0.819 366 A HN 0.211 nan 8.150 nan 0.000 0.442 367 E N -0.549 119.657 120.200 0.010 0.000 2.153 367 E HA -0.189 4.151 4.350 -0.017 0.000 0.194 367 E C 2.288 178.897 176.600 0.015 0.000 0.988 367 E CA 1.091 57.498 56.400 0.012 0.000 0.811 367 E CB -0.127 29.580 29.700 0.012 0.000 0.746 367 E HN 0.555 nan 8.360 nan 0.000 0.466 368 R N 0.371 120.881 120.500 0.016 0.000 2.090 368 R HA -0.003 4.327 4.340 -0.017 0.000 0.228 368 R C 2.296 178.606 176.300 0.016 0.000 1.110 368 R CA 0.849 56.960 56.100 0.019 0.000 0.973 368 R CB -0.101 30.211 30.300 0.020 0.000 0.869 368 R HN 0.027 nan 8.270 nan 0.000 0.440 369 R N 0.343 120.852 120.500 0.014 0.000 2.152 369 R HA -0.100 4.229 4.340 -0.017 0.000 0.232 369 R C 1.994 178.307 176.300 0.022 0.000 1.117 369 R CA 0.935 57.046 56.100 0.017 0.000 0.981 369 R CB 0.005 30.319 30.300 0.023 0.000 0.870 369 R HN 0.240 nan 8.270 nan 0.000 0.451 370 Q N 0.144 119.955 119.800 0.019 0.000 2.269 370 Q HA 0.034 4.364 4.340 -0.017 0.000 0.201 370 Q C 2.019 178.029 176.000 0.017 0.000 0.946 370 Q CA 0.830 56.644 55.803 0.018 0.000 0.877 370 Q CB 0.236 28.983 28.738 0.014 0.000 0.963 370 Q HN 0.373 nan 8.270 nan 0.000 0.472 371 L N -0.099 121.135 121.223 0.018 0.000 2.418 371 L HA 0.082 4.411 4.340 -0.017 0.000 0.218 371 L C 0.743 177.625 176.870 0.020 0.000 1.125 371 L CA 0.353 55.204 54.840 0.019 0.000 0.835 371 L CB 0.141 42.213 42.059 0.020 0.000 0.953 371 L HN 0.013 nan 8.230 nan 0.000 0.454 372 L N -0.679 120.556 121.223 0.020 0.000 2.333 372 L HA 0.447 4.777 4.340 -0.017 0.000 0.269 372 L C -2.209 174.673 176.870 0.020 0.000 1.010 372 L CA -2.236 52.616 54.840 0.020 0.000 0.818 372 L CB 1.374 43.443 42.059 0.017 0.000 1.306 372 L HN -0.306 nan 8.230 nan 0.000 0.430 373 P HA 0.009 nan 4.420 nan 0.000 0.259 373 P C -0.937 176.381 177.300 0.031 0.000 1.163 373 P CA 0.577 63.693 63.100 0.026 0.000 0.760 373 P CB 0.315 32.032 31.700 0.029 0.000 0.762 374 R N 2.033 122.559 120.500 0.043 0.000 2.758 374 R HA 0.751 5.081 4.340 -0.017 0.000 0.265 374 R C 0.103 176.447 176.300 0.074 0.000 1.016 374 R CA -1.053 55.092 56.100 0.075 0.000 1.040 374 R CB 1.228 31.575 30.300 0.078 0.000 1.152 374 R HN 0.421 nan 8.270 nan 0.000 0.503 375 A N 0.835 123.724 122.820 0.115 0.000 2.304 375 A HA 0.181 4.491 4.320 -0.017 0.000 0.271 375 A C 1.102 178.709 177.584 0.038 0.000 1.091 375 A CA -0.257 51.827 52.037 0.079 0.000 0.812 375 A CB 0.592 19.658 19.000 0.111 0.000 1.056 375 A HN 0.922 nan 8.150 nan 0.000 0.489 376 R N -0.314 120.198 120.500 0.019 0.000 2.096 376 R HA -0.121 4.209 4.340 -0.017 0.000 0.240 376 R C 0.002 176.294 176.300 -0.014 0.000 1.139 376 R CA 1.969 58.071 56.100 0.003 0.000 0.952 376 R CB 0.008 30.309 30.300 0.001 0.000 0.854 376 R HN 0.868 nan 8.270 nan 0.000 0.436 377 E N -0.908 119.276 120.200 -0.027 0.000 2.416 377 E HA 0.244 4.583 4.350 -0.017 0.000 0.273 377 E C -1.259 175.275 176.600 -0.110 0.000 0.935 377 E CA -0.724 55.640 56.400 -0.059 0.000 0.784 377 E CB 2.221 31.891 29.700 -0.050 0.000 1.301 377 E HN 0.110 nan 8.360 nan 0.000 0.454 378 Q N 0.855 120.557 119.800 -0.163 0.000 2.365 378 Q HA 0.410 4.739 4.340 -0.017 0.000 0.269 378 Q C -1.216 174.677 176.000 -0.179 0.000 1.061 378 Q CA -0.513 55.133 55.803 -0.263 0.000 0.816 378 Q CB 2.737 31.251 28.738 -0.372 0.000 1.325 378 Q HN 0.362 nan 8.270 nan 0.000 0.446 379 E N 1.856 121.951 120.200 -0.175 0.000 2.260 379 E HA 0.208 4.548 4.350 -0.017 0.000 0.266 379 E C -1.269 175.238 176.600 -0.156 0.000 0.887 379 E CA -0.258 56.061 56.400 -0.134 0.000 0.777 379 E CB 1.409 31.048 29.700 -0.103 0.000 1.205 379 E HN 0.487 nan 8.360 nan 0.000 0.414 380 E N 3.263 123.376 120.200 -0.145 0.000 2.313 380 E HA 0.361 4.700 4.350 -0.017 0.000 0.272 380 E C -0.526 175.963 176.600 -0.186 0.000 1.038 380 E CA -0.481 55.815 56.400 -0.173 0.000 0.863 380 E CB 1.528 31.150 29.700 -0.130 0.000 1.060 380 E HN 0.395 nan 8.360 nan 0.000 0.402 381 L N 3.031 124.071 121.223 -0.304 0.000 2.334 381 L HA 0.457 4.787 4.340 -0.017 0.000 0.276 381 L C -0.718 176.034 176.870 -0.197 0.000 1.014 381 L CA -0.722 53.949 54.840 -0.281 0.000 0.815 381 L CB 1.052 42.830 42.059 -0.468 0.000 1.268 381 L HN 0.313 nan 8.230 nan 0.000 0.428 382 L N 2.439 123.701 121.223 0.065 0.000 2.325 382 L HA 0.565 4.895 4.340 -0.017 0.000 0.278 382 L C 0.438 177.536 176.870 0.380 0.000 1.023 382 L CA -0.828 54.130 54.840 0.196 0.000 0.811 382 L CB 1.805 43.922 42.059 0.097 0.000 1.249 382 L HN 0.676 nan 8.230 nan 0.000 0.431 383 A N 3.953 126.998 122.820 0.375 0.000 2.584 383 A HA 0.154 4.463 4.320 -0.017 0.000 0.239 383 A C -1.661 175.976 177.584 0.089 0.000 1.043 383 A CA -0.520 51.610 52.037 0.155 0.000 0.756 383 A CB -0.298 18.745 19.000 0.071 0.000 0.963 383 A HN 0.643 nan 8.150 nan 0.000 0.511 384 P HA 0.199 nan 4.420 nan 0.000 0.221 384 P C 0.307 177.612 177.300 0.009 0.000 1.155 384 P CA 1.624 64.741 63.100 0.029 0.000 0.812 384 P CB 0.280 31.988 31.700 0.013 0.000 0.801 385 A N -1.158 121.655 122.820 -0.011 0.000 2.588 385 A HA 0.494 4.803 4.320 -0.017 0.000 0.290 385 A C -1.306 176.265 177.584 -0.022 0.000 1.136 385 A CA -0.675 51.354 52.037 -0.013 0.000 0.681 385 A CB 0.391 19.381 19.000 -0.018 0.000 1.282 385 A HN -0.195 nan 8.150 nan 0.000 0.421 386 D N -0.089 120.301 120.400 -0.016 0.000 2.382 386 D HA 0.493 5.122 4.640 -0.017 0.000 0.240 386 D C 0.430 176.713 176.300 -0.028 0.000 1.146 386 D CA 1.610 55.599 54.000 -0.017 0.000 0.897 386 D CB 1.244 42.038 40.800 -0.010 0.000 1.197 386 D HN 1.171 nan 8.370 nan 0.000 0.432 387 G N -0.355 108.427 108.800 -0.030 0.000 2.325 387 G HA2 0.322 4.272 3.960 -0.017 0.000 0.297 387 G HA3 0.322 4.272 3.960 -0.017 0.000 0.297 387 G C -1.375 173.503 174.900 -0.037 0.000 1.448 387 G CA -0.749 44.330 45.100 -0.036 0.000 0.838 387 G HN 0.327 nan 8.290 nan 0.000 0.579 388 T N 0.704 115.242 114.554 -0.026 0.000 2.779 388 T HA 0.490 4.830 4.350 -0.017 0.000 0.280 388 T C 0.372 175.049 174.700 -0.039 0.000 0.987 388 T CA -0.336 61.749 62.100 -0.025 0.000 0.966 388 T CB 1.615 70.504 68.868 0.034 0.000 0.933 388 T HN 0.642 nan 8.240 nan 0.000 0.442 389 V N 4.960 124.824 119.914 -0.084 0.000 2.425 389 V HA 0.032 4.142 4.120 -0.017 0.000 0.276 389 V C 1.437 177.510 176.094 -0.034 0.000 1.017 389 V CA 0.275 62.520 62.300 -0.093 0.000 1.062 389 V CB 0.154 31.910 31.823 -0.111 0.000 0.997 389 V HN 0.853 nan 8.190 nan 0.000 0.476 390 E N 4.264 124.474 120.200 0.016 0.000 2.042 390 E HA 0.129 4.468 4.350 -0.017 0.000 0.189 390 E C 0.282 176.920 176.600 0.064 0.000 0.974 390 E CA 0.880 57.342 56.400 0.104 0.000 0.806 390 E CB 0.277 30.018 29.700 0.067 0.000 0.769 390 E HN 0.775 nan 8.360 nan 0.000 0.451 391 L N -4.157 117.063 121.223 -0.005 0.000 2.838 391 L HA 0.483 4.812 4.340 -0.017 0.000 0.266 391 L C -0.909 175.933 176.870 -0.046 0.000 1.040 391 L CA -1.130 53.703 54.840 -0.011 0.000 0.906 391 L CB 1.746 43.809 42.059 0.006 0.000 1.501 391 L HN -0.377 nan 8.230 nan 0.000 0.407 392 V N 0.958 120.863 119.914 -0.014 0.000 2.394 392 V HA 0.546 4.655 4.120 -0.017 0.000 0.282 392 V C 0.180 176.285 176.094 0.018 0.000 1.031 392 V CA -0.395 61.910 62.300 0.009 0.000 0.881 392 V CB 1.189 33.072 31.823 0.101 0.000 0.982 392 V HN 0.659 nan 8.190 nan 0.000 0.451 393 R N 2.687 123.194 120.500 0.011 0.000 2.340 393 R HA 0.458 4.788 4.340 -0.017 0.000 0.300 393 R C 1.124 177.429 176.300 0.009 0.000 1.069 393 R CA 0.207 56.308 56.100 0.003 0.000 0.984 393 R CB 1.327 31.623 30.300 -0.007 0.000 1.003 393 R HN 0.888 nan 8.270 nan 0.000 0.459 394 A N 3.953 126.767 122.820 -0.010 0.000 1.872 394 A HA -0.136 4.174 4.320 -0.017 0.000 0.214 394 A C 1.839 179.387 177.584 -0.059 0.000 1.187 394 A CA 0.796 52.821 52.037 -0.020 0.000 0.614 394 A CB -0.308 18.679 19.000 -0.022 0.000 0.826 394 A HN 0.663 nan 8.150 nan 0.000 0.442 395 L N 0.536 121.702 121.223 -0.096 0.000 1.994 395 L HA -0.044 4.286 4.340 -0.017 0.000 0.208 395 L C -0.810 175.984 176.870 -0.127 0.000 1.071 395 L CA 2.314 57.043 54.840 -0.185 0.000 0.745 395 L CB -1.125 40.828 42.059 -0.176 0.000 0.892 395 L HN 0.164 nan 8.230 nan 0.000 0.431 396 P HA -0.185 nan 4.420 nan 0.000 0.216 396 P C 1.949 179.251 177.300 0.003 0.000 1.150 396 P CA 1.265 64.356 63.100 -0.015 0.000 0.843 396 P CB -0.048 31.663 31.700 0.018 0.000 0.787 397 L N -0.435 120.795 121.223 0.010 0.000 2.005 397 L HA -0.081 4.249 4.340 -0.017 0.000 0.207 397 L C 2.380 179.252 176.870 0.004 0.000 1.072 397 L CA 2.035 56.889 54.840 0.022 0.000 0.744 397 L CB -1.518 40.562 42.059 0.035 0.000 0.895 397 L HN -0.121 nan 8.230 nan 0.000 0.433 398 A N -0.746 122.059 122.820 -0.024 0.000 1.902 398 A HA -0.186 4.123 4.320 -0.017 0.000 0.217 398 A C 2.259 179.860 177.584 0.030 0.000 1.181 398 A CA 1.950 53.983 52.037 -0.006 0.000 0.623 398 A CB -0.884 18.079 19.000 -0.063 0.000 0.818 398 A HN 0.463 nan 8.150 nan 0.000 0.443 399 L N -0.617 120.594 121.223 -0.020 0.000 1.994 399 L HA -0.180 4.150 4.340 -0.017 0.000 0.208 399 L C 2.560 179.471 176.870 0.068 0.000 1.071 399 L CA 1.355 56.206 54.840 0.019 0.000 0.745 399 L CB -0.697 41.352 42.059 -0.016 0.000 0.892 399 L HN 0.254 nan 8.230 nan 0.000 0.431 400 V N 0.216 120.156 119.914 0.043 0.000 2.343 400 V HA -0.273 3.836 4.120 -0.017 0.000 0.247 400 V C 2.313 178.437 176.094 0.051 0.000 1.051 400 V CA 1.646 63.972 62.300 0.044 0.000 1.036 400 V CB -0.402 31.439 31.823 0.029 0.000 0.654 400 V HN 0.366 nan 8.190 nan 0.000 0.451 401 L N -0.918 120.335 121.223 0.050 0.000 2.240 401 L HA -0.095 4.234 4.340 -0.017 0.000 0.211 401 L C 2.456 179.361 176.870 0.059 0.000 1.106 401 L CA 1.306 56.166 54.840 0.034 0.000 0.793 401 L CB -0.759 41.302 42.059 0.004 0.000 0.927 401 L HN 0.396 nan 8.230 nan 0.000 0.446 402 H N 0.310 119.393 119.070 0.022 0.000 2.389 402 H HA -0.188 4.357 4.556 -0.018 0.000 0.299 402 H C 2.265 177.616 175.328 0.038 0.000 1.081 402 H CA 1.836 57.910 56.048 0.043 0.000 1.345 402 H CB 0.319 30.117 29.762 0.061 0.000 1.393 402 H HN 0.344 nan 8.280 nan 0.000 0.520 403 E N 0.186 120.464 120.200 0.130 0.000 2.031 403 E HA -0.160 4.179 4.350 -0.017 0.000 0.193 403 E C 1.904 178.512 176.600 0.014 0.000 0.994 403 E CA 1.537 57.979 56.400 0.071 0.000 0.800 403 E CB -0.089 29.652 29.700 0.068 0.000 0.752 403 E HN 0.557 nan 8.360 nan 0.000 0.447 404 L N -0.167 121.063 121.223 0.011 0.000 2.395 404 L HA 0.077 4.406 4.340 -0.017 0.000 0.218 404 L C 2.434 179.296 176.870 -0.014 0.000 1.130 404 L CA 0.652 55.492 54.840 -0.000 0.000 0.826 404 L CB -0.185 41.876 42.059 0.003 0.000 0.941 404 L HN 0.265 nan 8.230 nan 0.000 0.451 405 G N -0.022 108.757 108.800 -0.035 0.000 2.551 405 G HA2 0.163 4.112 3.960 -0.017 0.000 0.216 405 G HA3 0.163 4.112 3.960 -0.017 0.000 0.216 405 G C 0.912 175.768 174.900 -0.074 0.000 1.137 405 G CA 0.471 45.546 45.100 -0.042 0.000 0.798 405 G HN 0.373 nan 8.290 nan 0.000 0.536 416 R N 1.777 122.302 120.500 0.041 0.000 2.215 416 R HA 0.457 4.786 4.340 -0.017 0.000 0.336 416 R C 0.310 176.678 176.300 0.114 0.000 0.996 416 R CA -0.371 55.761 56.100 0.053 0.000 0.847 416 R CB 1.013 31.335 30.300 0.038 0.000 1.127 416 R HN 0.478 nan 8.270 nan 0.000 0.465 417 L N 1.361 122.639 121.223 0.092 0.000 2.567 417 L HA 0.180 4.510 4.340 -0.017 0.000 0.225 417 L C 1.818 178.751 176.870 0.105 0.000 1.119 417 L CA 0.399 55.321 54.840 0.137 0.000 0.871 417 L CB 0.375 42.462 42.059 0.046 0.000 1.036 417 L HN 0.839 nan 8.230 nan 0.000 0.459 418 G N -0.564 108.275 108.800 0.065 0.000 2.744 418 G HA2 0.104 4.053 3.960 -0.017 0.000 0.211 418 G HA3 0.104 4.053 3.960 -0.017 0.000 0.211 418 G C 0.631 175.550 174.900 0.031 0.000 1.146 418 G CA -0.033 45.090 45.100 0.040 0.000 0.787 418 G HN 0.032 nan 8.290 nan 0.000 0.534 419 V N 0.775 120.712 119.914 0.038 0.000 2.811 419 V HA 0.629 4.738 4.120 -0.017 0.000 0.302 419 V C 0.882 176.946 176.094 -0.051 0.000 1.063 419 V CA 0.892 63.205 62.300 0.022 0.000 1.088 419 V CB 0.698 32.534 31.823 0.021 0.000 0.982 419 V HN 0.590 nan 8.190 nan 0.000 0.485 420 G N 2.300 111.075 108.800 -0.043 0.000 2.341 420 G HA2 0.655 4.604 3.960 -0.017 0.000 0.293 420 G HA3 0.655 4.604 3.960 -0.017 0.000 0.293 420 G C -1.297 173.579 174.900 -0.040 0.000 1.298 420 G CA -0.010 45.031 45.100 -0.099 0.000 0.868 420 G HN 1.218 nan 8.290 nan 0.000 0.540 421 A N -0.705 122.075 122.820 -0.066 0.000 2.527 421 A HA 0.926 5.236 4.320 -0.017 0.000 0.293 421 A C -0.855 176.702 177.584 -0.046 0.000 1.117 421 A CA -0.281 51.742 52.037 -0.023 0.000 0.723 421 A CB 2.151 21.123 19.000 -0.046 0.000 1.313 421 A HN 0.998 nan 8.150 nan 0.000 0.411 422 E N 0.932 121.124 120.200 -0.014 0.000 2.241 422 E HA 0.525 4.864 4.350 -0.017 0.000 0.263 422 E C -1.573 175.015 176.600 -0.021 0.000 0.882 422 E CA -0.403 55.989 56.400 -0.013 0.000 0.769 422 E CB 1.178 30.909 29.700 0.051 0.000 1.185 422 E HN 0.605 nan 8.360 nan 0.000 0.415 423 L N 6.544 127.769 121.223 0.002 0.000 2.315 423 L HA 0.220 4.549 4.340 -0.017 0.000 0.283 423 L C 0.748 177.643 176.870 0.042 0.000 1.089 423 L CA -0.106 54.760 54.840 0.044 0.000 0.833 423 L CB 0.665 42.767 42.059 0.071 0.000 1.170 423 L HN 0.728 nan 8.230 nan 0.000 0.442 424 L N 4.621 125.877 121.223 0.056 0.000 2.585 424 L HA 0.122 4.452 4.340 -0.017 0.000 0.226 424 L C 0.419 177.329 176.870 0.067 0.000 1.113 424 L CA 0.023 54.891 54.840 0.047 0.000 0.876 424 L CB 0.232 42.309 42.059 0.030 0.000 1.072 424 L HN 0.480 nan 8.230 nan 0.000 0.468 425 V N -4.939 115.036 119.914 0.102 0.000 2.960 425 V HA 0.601 4.711 4.120 -0.017 0.000 0.315 425 V C -0.979 175.135 176.094 0.032 0.000 1.087 425 V CA -0.917 61.424 62.300 0.068 0.000 0.982 425 V CB 2.510 34.388 31.823 0.093 0.000 1.039 425 V HN -0.173 nan 8.190 nan 0.000 0.437 426 D N 1.072 121.463 120.400 -0.015 0.000 2.217 426 D HA 0.539 5.169 4.640 -0.017 0.000 0.248 426 D C -0.155 176.088 176.300 -0.094 0.000 1.008 426 D CA -0.232 53.739 54.000 -0.047 0.000 0.914 426 D CB 2.157 42.916 40.800 -0.067 0.000 1.182 426 D HN 0.594 nan 8.370 nan 0.000 0.451 427 V N 1.109 120.963 119.914 -0.100 0.000 2.788 427 V HA 0.306 4.415 4.120 -0.017 0.000 0.307 427 V C 1.702 177.553 176.094 -0.405 0.000 1.069 427 V CA 1.336 63.538 62.300 -0.164 0.000 1.173 427 V CB 0.512 32.297 31.823 -0.063 0.000 0.925 427 V HN 0.973 nan 8.190 nan 0.000 0.492 428 G N 2.724 111.088 108.800 -0.728 0.000 2.268 428 G HA2 -0.288 3.661 3.960 -0.017 0.000 0.240 428 G HA3 -0.288 3.661 3.960 -0.017 0.000 0.240 428 G C 0.402 174.961 174.900 -0.569 0.000 1.010 428 G CA 0.438 44.765 45.100 -1.290 0.000 0.618 428 G HN 0.872 nan 8.290 nan 0.000 0.516 429 Q N 0.540 120.149 119.800 -0.319 0.000 2.332 429 Q HA 0.469 4.799 4.340 -0.017 0.000 0.263 429 Q C 0.420 176.348 176.000 -0.121 0.000 0.979 429 Q CA -0.444 55.255 55.803 -0.173 0.000 0.885 429 Q CB 0.405 29.076 28.738 -0.112 0.000 1.218 429 Q HN 0.386 nan 8.270 nan 0.000 0.405 430 R N 4.678 125.131 120.500 -0.079 0.000 2.221 430 R HA 0.370 4.699 4.340 -0.017 0.000 0.327 430 R C -1.092 175.187 176.300 -0.034 0.000 1.033 430 R CA -0.247 55.825 56.100 -0.047 0.000 0.887 430 R CB 0.124 30.407 30.300 -0.028 0.000 1.057 430 R HN 0.612 nan 8.270 nan 0.000 0.455 431 L N -0.090 121.115 121.223 -0.031 0.000 2.319 431 L HA 0.919 5.248 4.340 -0.017 0.000 0.267 431 L C 0.089 176.953 176.870 -0.010 0.000 1.011 431 L CA -1.353 53.479 54.840 -0.014 0.000 0.818 431 L CB 1.623 43.680 42.059 -0.004 0.000 1.316 431 L HN 0.613 nan 8.230 nan 0.000 0.432 432 R N 1.384 121.885 120.500 0.002 0.000 2.608 432 R HA 0.639 4.969 4.340 -0.017 0.000 0.255 432 R C 0.008 176.314 176.300 0.011 0.000 1.086 432 R CA -0.235 55.867 56.100 0.004 0.000 1.125 432 R CB 0.139 30.443 30.300 0.006 0.000 1.193 432 R HN 0.914 nan 8.270 nan 0.000 0.553 433 R N -0.551 119.955 120.500 0.010 0.000 2.623 433 R HA 0.429 4.758 4.340 -0.017 0.000 0.271 433 R C 1.074 177.391 176.300 0.029 0.000 1.043 433 R CA 0.993 57.104 56.100 0.018 0.000 1.083 433 R CB 0.417 30.724 30.300 0.012 0.000 0.974 433 R HN 1.639 nan 8.270 nan 0.000 0.436 434 G N 1.041 109.869 108.800 0.047 0.000 2.241 434 G HA2 -0.335 3.615 3.960 -0.017 0.000 0.244 434 G HA3 -0.335 3.615 3.960 -0.017 0.000 0.244 434 G C 0.268 175.204 174.900 0.060 0.000 0.998 434 G CA 0.341 45.471 45.100 0.050 0.000 0.621 434 G HN 1.105 nan 8.290 nan 0.000 0.519 435 T N 1.780 116.375 114.554 0.068 0.000 2.851 435 T HA 0.551 4.891 4.350 -0.017 0.000 0.298 435 T C -2.023 172.750 174.700 0.121 0.000 0.977 435 T CA -0.975 61.168 62.100 0.072 0.000 1.126 435 T CB 1.290 70.194 68.868 0.059 0.000 0.916 435 T HN 0.103 nan 8.240 nan 0.000 0.529 436 P HA 0.049 nan 4.420 nan 0.000 0.262 436 P C 0.469 177.843 177.300 0.122 0.000 1.182 436 P CA -0.112 63.018 63.100 0.049 0.000 0.761 436 P CB 0.129 31.823 31.700 -0.010 0.000 0.795 437 W N 3.788 125.081 121.300 -0.011 0.000 2.782 437 W HA 0.359 5.007 4.660 -0.021 0.000 0.268 437 W C -1.362 175.152 176.519 -0.008 0.000 1.043 437 W CA 0.046 57.383 57.345 -0.012 0.000 1.387 437 W CB 0.266 29.718 29.460 -0.014 0.000 0.904 437 W HN 0.121 nan 8.180 nan 0.000 0.625 438 L N 2.343 123.127 121.223 -0.731 0.000 2.431 438 L HA 0.547 4.876 4.340 -0.017 0.000 0.266 438 L C -0.825 175.802 176.870 -0.405 0.000 0.978 438 L CA -0.756 53.689 54.840 -0.657 0.000 0.822 438 L CB 3.147 44.507 42.059 -1.164 0.000 1.310 438 L HN -0.195 nan 8.230 nan 0.000 0.409 439 R N 3.056 123.428 120.500 -0.214 0.000 2.371 439 R HA 0.541 4.870 4.340 -0.017 0.000 0.312 439 R C -1.614 174.657 176.300 -0.049 0.000 0.980 439 R CA -0.430 55.585 56.100 -0.141 0.000 0.867 439 R CB 1.563 31.816 30.300 -0.077 0.000 1.163 439 R HN 0.386 nan 8.270 nan 0.000 0.492 440 V N 5.223 125.075 119.914 -0.105 0.000 2.406 440 V HA 0.215 4.325 4.120 -0.017 0.000 0.272 440 V C 0.065 176.134 176.094 -0.041 0.000 1.043 440 V CA -0.449 61.833 62.300 -0.031 0.000 0.915 440 V CB 1.143 32.920 31.823 -0.076 0.000 0.988 440 V HN 0.759 nan 8.190 nan 0.000 0.466 441 H N 6.952 125.981 119.070 -0.070 0.000 2.594 441 H HA 0.493 5.039 4.556 -0.017 0.000 0.304 441 H C -0.008 175.295 175.328 -0.042 0.000 1.068 441 H CA -0.619 55.399 56.048 -0.050 0.000 1.308 441 H CB 1.115 30.851 29.762 -0.044 0.000 1.409 441 H HN 0.574 nan 8.280 nan 0.000 0.460 442 R N 2.678 123.200 120.500 0.037 0.000 2.725 442 R HA 0.184 4.514 4.340 -0.017 0.000 0.277 442 R C -0.980 175.326 176.300 0.010 0.000 0.987 442 R CA -0.643 55.467 56.100 0.017 0.000 0.901 442 R CB 1.074 31.371 30.300 -0.005 0.000 1.207 442 R HN 0.366 nan 8.270 nan 0.000 0.463 443 D N 1.299 121.706 120.400 0.012 0.000 2.277 443 D HA 0.106 4.735 4.640 -0.017 0.000 0.209 443 D C 1.115 177.416 176.300 0.001 0.000 0.970 443 D CA 1.365 55.370 54.000 0.008 0.000 0.874 443 D CB 0.049 40.856 40.800 0.012 0.000 0.982 443 D HN 0.716 nan 8.370 nan 0.000 0.504 444 G N 1.302 110.102 108.800 -0.000 0.000 2.485 444 G HA2 0.320 4.270 3.960 -0.017 0.000 0.260 444 G HA3 0.320 4.270 3.960 -0.017 0.000 0.260 444 G C -2.200 172.696 174.900 -0.007 0.000 1.459 444 G CA -0.493 44.605 45.100 -0.002 0.000 1.060 444 G HN 0.034 nan 8.290 nan 0.000 0.546 445 P HA 0.412 nan 4.420 nan 0.000 0.278 445 P C -0.117 177.174 177.300 -0.014 0.000 1.266 445 P CA -0.261 62.833 63.100 -0.010 0.000 0.807 445 P CB 0.428 32.125 31.700 -0.006 0.000 1.094 446 A N 1.017 123.826 122.820 -0.017 0.000 2.622 446 A HA -0.059 4.250 4.320 -0.017 0.000 0.235 446 A C 0.514 178.088 177.584 -0.016 0.000 1.013 446 A CA 0.217 52.242 52.037 -0.021 0.000 0.765 446 A CB -1.181 17.808 19.000 -0.018 0.000 0.921 446 A HN 0.511 nan 8.150 nan 0.000 0.506 447 L N 2.857 124.068 121.223 -0.020 0.000 2.540 447 L HA 0.073 4.402 4.340 -0.017 0.000 0.276 447 L C 1.398 178.265 176.870 -0.006 0.000 1.212 447 L CA 0.238 55.070 54.840 -0.014 0.000 0.893 447 L CB 0.037 42.084 42.059 -0.020 0.000 1.138 447 L HN 0.952 nan 8.230 nan 0.000 0.491 448 S N 1.999 117.699 115.700 0.000 0.000 2.589 448 S HA 0.132 4.592 4.470 -0.017 0.000 0.265 448 S C 1.406 176.011 174.600 0.008 0.000 1.342 448 S CA -0.349 57.853 58.200 0.005 0.000 1.005 448 S CB 1.284 64.488 63.200 0.008 0.000 0.909 448 S HN 0.797 nan 8.310 nan 0.000 0.555 449 G N 2.011 110.817 108.800 0.009 0.000 2.599 449 G HA2 -0.189 3.760 3.960 -0.017 0.000 0.219 449 G HA3 -0.189 3.760 3.960 -0.017 0.000 0.219 449 G C -1.002 173.908 174.900 0.018 0.000 1.193 449 G CA 1.279 46.387 45.100 0.013 0.000 0.778 449 G HN 0.668 nan 8.290 nan 0.000 0.589 450 P HA -0.177 nan 4.420 nan 0.000 0.210 450 P C 2.134 179.448 177.300 0.024 0.000 1.185 450 P CA 2.144 65.256 63.100 0.020 0.000 0.924 450 P CB -0.371 31.340 31.700 0.018 0.000 0.786 451 Q N -0.507 119.305 119.800 0.021 0.000 2.197 451 Q HA -0.194 4.136 4.340 -0.017 0.000 0.207 451 Q C 2.202 178.218 176.000 0.026 0.000 0.984 451 Q CA 2.176 57.993 55.803 0.022 0.000 0.869 451 Q CB -1.321 27.427 28.738 0.017 0.000 0.906 451 Q HN 0.142 nan 8.270 nan 0.000 0.426 452 S N 0.841 116.554 115.700 0.022 0.000 2.359 452 S HA -0.148 4.311 4.470 -0.017 0.000 0.224 452 S C 2.039 176.675 174.600 0.059 0.000 1.035 452 S CA 1.208 59.426 58.200 0.030 0.000 1.018 452 S CB -0.105 63.108 63.200 0.022 0.000 0.876 452 S HN 0.471 nan 8.310 nan 0.000 0.448 453 R N 0.553 121.083 120.500 0.050 0.000 2.081 453 R HA 0.006 4.336 4.340 -0.017 0.000 0.235 453 R C 2.673 179.011 176.300 0.064 0.000 1.131 453 R CA 1.269 57.403 56.100 0.056 0.000 0.960 453 R CB -0.630 29.692 30.300 0.038 0.000 0.856 453 R HN 0.522 nan 8.270 nan 0.000 0.436 454 A N 1.122 123.974 122.820 0.053 0.000 1.933 454 A HA -0.120 4.189 4.320 -0.017 0.000 0.218 454 A C 2.143 179.774 177.584 0.078 0.000 1.175 454 A CA 1.160 53.228 52.037 0.052 0.000 0.628 454 A CB -0.432 18.591 19.000 0.038 0.000 0.814 454 A HN 0.176 nan 8.150 nan 0.000 0.444 455 L N -1.454 119.828 121.223 0.098 0.000 2.109 455 L HA -0.151 4.178 4.340 -0.017 0.000 0.207 455 L C 2.728 179.783 176.870 0.308 0.000 1.086 455 L CA 1.304 56.240 54.840 0.160 0.000 0.760 455 L CB -0.358 41.756 42.059 0.092 0.000 0.910 455 L HN 0.363 nan 8.230 nan 0.000 0.437 456 Q N 0.487 120.446 119.800 0.265 0.000 2.226 456 Q HA -0.194 4.136 4.340 -0.017 0.000 0.204 456 Q C 1.905 177.972 176.000 0.112 0.000 0.975 456 Q CA 1.407 57.389 55.803 0.298 0.000 0.866 456 Q CB 0.024 28.878 28.738 0.194 0.000 0.915 456 Q HN 0.466 nan 8.270 nan 0.000 0.440 457 E N -0.894 119.354 120.200 0.080 0.000 2.152 457 E HA -0.089 4.250 4.350 -0.017 0.000 0.192 457 E C 1.806 178.405 176.600 -0.001 0.000 0.983 457 E CA 0.593 57.004 56.400 0.019 0.000 0.818 457 E CB -0.134 29.580 29.700 0.023 0.000 0.758 457 E HN 0.437 nan 8.360 nan 0.000 0.467 458 A N 1.399 124.251 122.820 0.054 0.000 1.986 458 A HA -0.154 4.156 4.320 -0.017 0.000 0.220 458 A C 1.308 178.840 177.584 -0.087 0.000 1.171 458 A CA 0.722 52.786 52.037 0.046 0.000 0.640 458 A CB -0.377 18.729 19.000 0.178 0.000 0.811 458 A HN 0.206 nan 8.150 nan 0.000 0.451 459 L N 0.703 121.755 121.223 -0.286 0.000 2.281 459 L HA 0.473 4.802 4.340 -0.017 0.000 0.285 459 L C -0.747 175.915 176.870 -0.347 0.000 1.074 459 L CA 0.022 54.508 54.840 -0.589 0.000 0.817 459 L CB 1.357 42.577 42.059 -1.398 0.000 1.168 459 L HN -0.029 nan 8.230 nan 0.000 0.434 460 V N 7.183 126.945 119.914 -0.252 0.000 2.376 460 V HA 0.420 4.530 4.120 -0.017 0.000 0.287 460 V C -0.053 175.963 176.094 -0.129 0.000 1.015 460 V CA -0.508 61.703 62.300 -0.149 0.000 0.834 460 V CB 1.335 33.106 31.823 -0.088 0.000 1.001 460 V HN 0.604 nan 8.190 nan 0.000 0.428 461 L N 4.488 125.641 121.223 -0.117 0.000 2.325 461 L HA 0.745 5.074 4.340 -0.017 0.000 0.278 461 L C 0.463 177.307 176.870 -0.044 0.000 1.023 461 L CA -0.145 54.641 54.840 -0.090 0.000 0.811 461 L CB 2.283 44.277 42.059 -0.109 0.000 1.249 461 L HN 0.778 nan 8.230 nan 0.000 0.431 462 S N -0.709 114.984 115.700 -0.012 0.000 2.759 462 S HA 0.412 4.872 4.470 -0.017 0.000 0.310 462 S C -0.196 174.407 174.600 0.005 0.000 1.123 462 S CA -0.850 57.352 58.200 0.002 0.000 0.959 462 S CB 1.845 65.059 63.200 0.024 0.000 1.172 462 S HN 0.549 nan 8.310 nan 0.000 0.539 463 D N 0.379 120.782 120.400 0.006 0.000 2.395 463 D HA 0.212 4.842 4.640 -0.017 0.000 0.226 463 D C 0.003 176.316 176.300 0.021 0.000 1.146 463 D CA 0.021 54.026 54.000 0.008 0.000 0.830 463 D CB 0.009 40.809 40.800 0.000 0.000 0.958 463 D HN 0.316 nan 8.370 nan 0.000 0.501 464 R N 0.734 121.258 120.500 0.041 0.000 2.490 464 R HA 0.438 4.767 4.340 -0.017 0.000 0.280 464 R C 0.380 176.734 176.300 0.090 0.000 1.077 464 R CA -0.387 55.748 56.100 0.057 0.000 1.065 464 R CB 1.031 31.371 30.300 0.066 0.000 1.003 464 R HN -0.003 nan 8.270 nan 0.000 0.470 465 A N 5.401 128.267 122.820 0.076 0.000 2.586 465 A HA 0.114 4.424 4.320 -0.017 0.000 0.231 465 A C -1.857 175.829 177.584 0.170 0.000 1.055 465 A CA -0.830 51.260 52.037 0.088 0.000 0.756 465 A CB -0.453 18.585 19.000 0.063 0.000 0.988 465 A HN 0.435 nan 8.150 nan 0.000 0.509 466 P HA 0.366 nan 4.420 nan 0.000 0.269 466 P C -0.509 176.916 177.300 0.207 0.000 1.211 466 P CA 0.531 63.681 63.100 0.084 0.000 0.781 466 P CB 0.091 31.792 31.700 0.002 0.000 0.877 467 F N -2.612 117.333 119.950 -0.009 0.000 2.773 467 F HA 0.733 5.251 4.527 -0.016 0.000 0.314 467 F C -1.514 174.282 175.800 -0.006 0.000 1.160 467 F CA -1.738 56.258 58.000 -0.007 0.000 0.920 467 F CB 0.534 39.529 39.000 -0.008 0.000 1.323 467 F HN 0.346 nan 8.300 nan 0.000 0.457 468 A N 1.296 124.209 122.820 0.155 0.000 2.331 468 A HA 0.745 5.054 4.320 -0.017 0.000 0.283 468 A C 0.070 177.710 177.584 0.094 0.000 1.142 468 A CA -0.261 51.799 52.037 0.037 0.000 0.812 468 A CB 0.151 19.191 19.000 0.066 0.000 1.074 468 A HN 1.681 nan 8.150 nan 0.000 0.497 469 A N 4.294 127.094 122.820 -0.034 0.000 2.484 469 A HA 0.514 4.823 4.320 -0.017 0.000 0.268 469 A C -1.863 175.777 177.584 0.093 0.000 1.114 469 A CA -0.815 51.234 52.037 0.021 0.000 0.780 469 A CB -0.886 18.089 19.000 -0.042 0.000 1.061 469 A HN 0.676 nan 8.150 nan 0.000 0.505 470 P HA 0.343 nan 4.420 nan 0.000 0.272 470 P C -0.252 177.089 177.300 0.069 0.000 1.240 470 P CA -0.400 62.763 63.100 0.105 0.000 0.791 470 P CB 0.417 32.183 31.700 0.111 0.000 0.978 471 L N 1.874 123.128 121.223 0.053 0.000 2.439 471 L HA 0.380 4.709 4.340 -0.017 0.000 0.259 471 L C -1.551 175.347 176.870 0.047 0.000 1.129 471 L CA -1.862 52.999 54.840 0.036 0.000 0.803 471 L CB 0.082 42.153 42.059 0.020 0.000 1.161 471 L HN 0.375 nan 8.230 nan 0.000 0.462 472 P HA 0.029 nan 4.420 nan 0.000 0.272 472 P C -0.966 176.379 177.300 0.075 0.000 1.240 472 P CA -0.222 62.906 63.100 0.047 0.000 0.791 472 P CB 0.513 32.220 31.700 0.012 0.000 0.978 473 F N 1.011 120.937 119.950 -0.039 0.000 2.396 473 F HA 0.508 5.025 4.527 -0.017 0.000 0.343 473 F C -0.421 175.378 175.800 -0.003 0.000 1.104 473 F CA -0.130 57.860 58.000 -0.017 0.000 1.161 473 F CB 0.719 39.709 39.000 -0.016 0.000 1.146 473 F HN 0.489 nan 8.300 nan 0.000 0.522 474 A N 5.128 127.362 122.820 -0.975 0.000 2.475 474 A HA 0.667 4.976 4.320 -0.017 0.000 0.301 474 A C -1.347 175.694 177.584 -0.905 0.000 1.059 474 A CA -0.615 50.969 52.037 -0.755 0.000 0.710 474 A CB 1.623 20.423 19.000 -0.334 0.000 1.288 474 A HN 0.831 nan 8.150 nan 0.000 0.408 475 E N 1.567 121.485 120.200 -0.469 0.000 2.343 475 E HA 0.466 4.806 4.350 -0.017 0.000 0.286 475 E C -2.051 174.505 176.600 -0.074 0.000 0.915 475 E CA -0.600 55.661 56.400 -0.231 0.000 0.784 475 E CB 1.266 30.939 29.700 -0.046 0.000 1.251 475 E HN 0.576 nan 8.360 nan 0.000 0.407 476 L N 3.608 124.792 121.223 -0.065 0.000 2.421 476 L HA 0.576 4.905 4.340 -0.017 0.000 0.263 476 L C -1.058 175.823 176.870 0.018 0.000 1.122 476 L CA -0.349 54.478 54.840 -0.022 0.000 0.804 476 L CB 1.743 43.769 42.059 -0.056 0.000 1.150 476 L HN 0.510 nan 8.230 nan 0.000 0.457 477 V N 4.249 124.190 119.914 0.046 0.000 2.569 477 V HA 0.429 4.539 4.120 -0.017 0.000 0.301 477 V C -0.238 175.903 176.094 0.078 0.000 1.044 477 V CA -0.671 61.662 62.300 0.056 0.000 0.874 477 V CB 1.517 33.375 31.823 0.058 0.000 1.002 477 V HN 0.564 nan 8.190 nan 0.000 0.424 478 L N 5.053 126.325 121.223 0.082 0.000 2.365 478 L HA 0.643 4.973 4.340 -0.017 0.000 0.267 478 L C -2.185 174.731 176.870 0.077 0.000 1.033 478 L CA -2.098 52.806 54.840 0.107 0.000 0.802 478 L CB 1.888 44.029 42.059 0.137 0.000 1.267 478 L HN 0.395 nan 8.230 nan 0.000 0.457 479 P HA 0.209 nan 4.420 nan 0.000 0.271 479 P C -2.424 174.903 177.300 0.045 0.000 1.233 479 P CA -0.744 62.386 63.100 0.051 0.000 0.764 479 P CB -0.303 31.422 31.700 0.043 0.000 0.825 480 P HA 0.000 nan 4.420 nan 0.000 0.216 480 P CA 0.000 63.118 63.100 0.030 0.000 0.800 480 P CB 0.000 31.714 31.700 0.023 0.000 0.726