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 2qiz_1_A DATA FIRST_RESID -5 DATA SEQUENCE GSEFRSMTAI EDILQITTDP SDTRGYSLLK SEEXXXXXXX GVDFIDTLLL DATA SEQUENCE YQLTENEKLD KPFEYLNDCF RRNQQQKRIT KNKPNAESLH STFQEIDRLV DATA SEQUENCE IGYGVVALQI ENFCMNGAFI NYITGIVSNV NSYTDFLSQI IQRAILEGTA DATA SEQUENCE LDLLNAVFPT LLEYCNKHVS HFDLNESVIY NNVLTIFELF VTFKPIAEIF DATA SEQUENCE TKIDGFFADY SCKPQDFERK TILGPILSLS PIEAAVAIRN YGDNLLRSKQ DATA SEQUENCE QTAMIHESLQ AEHKVVIDRL FFIVDKLVRG SLNSRTDMIS YFAHIANKNH DATA SEQUENCE LRRADHPPFK ELSSNGFMSN ITLLLVRFSQ PFLDISYKKI DKIDANYFNN DATA SEQUENCE PSLFIDLSGE TRLNSDFKEA DAFYDKNRKT ADSKPNFISD CFFLTLTYLH DATA SEQUENCE YGLGGTLSFE EKMGSEIKAL KEEIEKVKKI AANHDVFARF ITAQLSKMEK DATA SEQUENCE ALKTTESLRF ALQGFFAHRS LQLEVFDFIC GASTFLIRVV DPEHEFPFKQ DATA SEQUENCE IKLPLIPDQI GVENVDNADF LRAHAPVPFK YYPEFVVEGP VNYSLYISKY DATA SEQUENCE QTSPIFRNPR LGSFVEFTTM VLRCPELVSN PHLKGKLVQL LSVGAMPLTD DATA SEQUENCE NSPGFMMDIF EHDELVNKNL LYALLDFYVI VEKTGSSSQF YDKFNSRYSI DATA SEQUENCE SIILEELYYK IPSYKNQLIW QSQNNADFFV RFVARMLNDL TFLLDEGLSN DATA SEQUENCE LAEVHNIQNE LDNXXXXXXX XXXEEDKELQ TRLASASRQA KSSCGLADKS DATA SEQUENCE MKLFEIYSKD IPAAFVTPEI VYRLASMLNY NLESLVGPKC GELKVKDPQS DATA SEQUENCE YSFNPKDLLK ALTTVYINLS EQSEFISAVA KDERSFNRNL FVRAVDILGR DATA SEQUENCE KTGLASPEFI EKLLNFANKA EEQRKADEEE DLEYGDVPDE FLDPLMYTIM DATA SEQUENCE KDPVILPASK MNIDRSTIKA HLLSDSTDPF NRMPLKLEDV TPNEELRQKI DATA SEQUENCE LCFKKQKKEE 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 -5 G HA2 0.000 nan 3.960 nan 0.000 0.244 -5 G HA3 0.000 3.948 3.960 -0.021 0.000 0.244 -5 G C 0.000 174.917 174.900 0.029 0.000 0.946 -5 G CA 0.000 45.109 45.100 0.015 0.000 0.502 -4 S N 1.307 117.035 115.700 0.047 0.000 2.586 -4 S HA 0.119 4.576 4.470 -0.021 0.000 0.218 -4 S C 0.834 175.489 174.600 0.091 0.000 0.761 -4 S CA 0.478 58.729 58.200 0.085 0.000 0.999 -4 S CB -0.066 63.177 63.200 0.071 0.000 1.634 -4 S HN 0.833 nan 8.310 nan 0.000 0.482 -3 E N 0.195 120.442 120.200 0.079 0.000 2.476 -3 E HA 0.167 4.504 4.350 -0.021 0.000 0.191 -3 E C 0.948 177.589 176.600 0.069 0.000 1.064 -3 E CA -0.038 56.389 56.400 0.045 0.000 0.866 -3 E CB -0.454 29.259 29.700 0.022 0.000 0.952 -3 E HN 0.646 nan 8.360 nan 0.000 0.492 -2 F N 1.235 121.171 119.950 -0.023 0.000 2.416 -2 F HA 0.195 4.710 4.527 -0.021 0.000 0.296 -2 F C 1.718 177.508 175.800 -0.017 0.000 1.099 -2 F CA 0.359 58.348 58.000 -0.019 0.000 1.427 -2 F CB 0.284 39.275 39.000 -0.015 0.000 1.079 -2 F HN -0.128 nan 8.300 nan 0.000 0.536 -1 R N 0.225 120.671 120.500 -0.090 0.000 2.285 -1 R HA -0.064 4.263 4.340 -0.021 0.000 0.213 -1 R C 2.323 178.490 176.300 -0.222 0.000 1.068 -1 R CA 0.923 56.909 56.100 -0.191 0.000 1.004 -1 R CB -0.776 29.527 30.300 0.004 0.000 0.873 -1 R HN 0.401 nan 8.270 nan 0.000 0.467 0 S N 0.077 115.665 115.700 -0.187 0.000 2.339 0 S HA 0.013 4.471 4.470 -0.021 0.000 0.213 0 S C 1.892 176.390 174.600 -0.170 0.000 1.033 0 S CA 0.258 58.352 58.200 -0.176 0.000 0.950 0 S CB 0.123 63.248 63.200 -0.125 0.000 0.893 0 S HN 0.051 nan 8.310 nan 0.000 0.492 1 M N 1.460 120.969 119.600 -0.152 0.000 2.267 1 M HA -0.085 4.383 4.480 -0.021 0.000 0.263 1 M C 2.313 178.526 176.300 -0.146 0.000 1.063 1 M CA 1.488 56.723 55.300 -0.109 0.000 1.090 1 M CB -1.668 30.884 32.600 -0.079 0.000 1.392 1 M HN 0.478 nan 8.290 nan 0.000 0.422 2 T N -0.083 114.298 114.554 -0.289 0.000 2.985 2 T HA 0.111 4.449 4.350 -0.021 0.000 0.266 2 T C 1.634 176.254 174.700 -0.134 0.000 1.076 2 T CA 1.221 63.154 62.100 -0.279 0.000 1.135 2 T CB 0.113 68.644 68.868 -0.560 0.000 0.890 2 T HN 0.423 nan 8.240 nan 0.000 0.480 3 A N 0.899 123.639 122.820 -0.133 0.000 1.903 3 A HA 0.259 4.567 4.320 -0.021 0.000 0.213 3 A C 2.172 179.737 177.584 -0.033 0.000 1.185 3 A CA 0.665 52.662 52.037 -0.066 0.000 0.628 3 A CB -0.599 18.331 19.000 -0.117 0.000 0.830 3 A HN 0.567 nan 8.150 nan 0.000 0.446 4 I N 0.740 121.279 120.570 -0.052 0.000 2.399 4 I HA -0.312 3.845 4.170 -0.021 0.000 0.254 4 I C 2.518 178.648 176.117 0.021 0.000 1.146 4 I CA 1.924 63.216 61.300 -0.013 0.000 1.412 4 I CB -0.262 37.741 38.000 0.005 0.000 1.076 4 I HN 0.681 nan 8.210 nan 0.000 0.432 5 E N -0.024 120.201 120.200 0.041 0.000 2.216 5 E HA -0.119 4.219 4.350 -0.021 0.000 0.192 5 E C 1.232 177.927 176.600 0.157 0.000 0.973 5 E CA 0.496 56.961 56.400 0.109 0.000 0.851 5 E CB -0.171 29.621 29.700 0.153 0.000 0.804 5 E HN 0.388 nan 8.360 nan 0.000 0.477 6 D N 0.809 121.309 120.400 0.166 0.000 2.317 6 D HA 0.051 4.679 4.640 -0.021 0.000 0.211 6 D C 1.920 178.230 176.300 0.017 0.000 0.966 6 D CA 0.646 54.778 54.000 0.219 0.000 0.876 6 D CB 0.359 41.263 40.800 0.173 0.000 0.927 6 D HN 0.330 nan 8.370 nan 0.000 0.519 7 I N -0.176 120.381 120.570 -0.022 0.000 2.556 7 I HA -0.121 4.037 4.170 -0.021 0.000 0.251 7 I C 1.654 177.689 176.117 -0.137 0.000 1.105 7 I CA 0.237 61.494 61.300 -0.072 0.000 1.436 7 I CB 0.275 38.256 38.000 -0.031 0.000 1.139 7 I HN -0.112 nan 8.210 nan 0.000 0.438 8 L N 0.544 121.708 121.223 -0.098 0.000 2.599 8 L HA 0.098 4.426 4.340 -0.021 0.000 0.230 8 L C 0.576 177.410 176.870 -0.059 0.000 1.141 8 L CA 0.899 55.699 54.840 -0.067 0.000 0.877 8 L CB -0.932 41.135 42.059 0.013 0.000 1.009 8 L HN 0.240 nan 8.230 nan 0.000 0.447 9 Q N 0.470 120.086 119.800 -0.306 0.000 2.439 9 Q HA -0.213 4.115 4.340 -0.021 0.000 0.361 9 Q C -0.330 175.451 176.000 -0.365 0.000 1.408 9 Q CA 0.766 56.083 55.803 -0.810 0.000 1.052 9 Q CB -1.101 27.238 28.738 -0.666 0.000 1.233 9 Q HN 0.445 nan 8.270 nan 0.000 0.347 10 I N -0.525 119.999 120.570 -0.076 0.000 2.785 10 I HA 0.494 4.652 4.170 -0.021 0.000 0.293 10 I C -0.470 175.758 176.117 0.185 0.000 1.446 10 I CA -0.080 61.284 61.300 0.106 0.000 1.028 10 I CB 2.040 40.092 38.000 0.087 0.000 1.349 10 I HN 0.283 nan 8.210 nan 0.000 0.438 11 T N 0.748 115.407 114.554 0.175 0.000 2.716 11 T HA 0.498 4.835 4.350 -0.021 0.000 0.286 11 T C 0.322 175.074 174.700 0.088 0.000 1.052 11 T CA 0.236 62.417 62.100 0.135 0.000 1.024 11 T CB 1.671 70.615 68.868 0.126 0.000 1.349 11 T HN 0.679 nan 8.240 nan 0.000 0.525 12 T N -2.580 112.015 114.554 0.069 0.000 2.955 12 T HA 0.217 4.555 4.350 -0.021 0.000 0.251 12 T C 0.323 175.042 174.700 0.031 0.000 1.002 12 T CA 0.231 62.357 62.100 0.044 0.000 0.970 12 T CB -0.188 68.712 68.868 0.052 0.000 1.091 12 T HN 0.869 nan 8.240 nan 0.000 0.495 13 D N 2.601 123.022 120.400 0.034 0.000 2.264 13 D HA 0.212 4.839 4.640 -0.021 0.000 0.250 13 D C -2.089 174.225 176.300 0.022 0.000 1.113 13 D CA -1.798 52.216 54.000 0.023 0.000 0.871 13 D CB 2.134 42.947 40.800 0.021 0.000 1.167 13 D HN -0.044 nan 8.370 nan 0.000 0.447 14 P HA -0.059 nan 4.420 nan 0.000 0.225 14 P C 0.731 178.037 177.300 0.010 0.000 1.148 14 P CA 0.682 63.792 63.100 0.016 0.000 0.779 14 P CB 0.303 32.010 31.700 0.013 0.000 0.780 15 S N -0.037 115.667 115.700 0.006 0.000 2.945 15 S HA 0.117 4.575 4.470 -0.021 0.000 0.227 15 S C -0.155 174.440 174.600 -0.009 0.000 1.353 15 S CA -0.586 57.614 58.200 -0.000 0.000 1.236 15 S CB -1.455 61.746 63.200 0.001 0.000 1.069 15 S HN -0.038 nan 8.310 nan 0.000 0.509 16 D N 0.215 120.605 120.400 -0.016 0.000 2.177 16 D HA 0.359 4.987 4.640 -0.021 0.000 0.247 16 D C 1.294 177.553 176.300 -0.067 0.000 1.063 16 D CA -0.165 53.806 54.000 -0.048 0.000 0.867 16 D CB 1.523 42.290 40.800 -0.055 0.000 1.168 16 D HN 0.110 nan 8.370 nan 0.000 0.445 17 T N 1.826 116.325 114.554 -0.091 0.000 2.737 17 T HA -0.107 4.230 4.350 -0.021 0.000 0.265 17 T C 0.881 175.514 174.700 -0.111 0.000 1.038 17 T CA 0.919 62.968 62.100 -0.085 0.000 1.144 17 T CB -0.082 68.739 68.868 -0.078 0.000 0.866 17 T HN 0.214 nan 8.240 nan 0.000 0.434 18 R N 1.585 121.954 120.500 -0.217 0.000 2.410 18 R HA 0.461 4.788 4.340 -0.021 0.000 0.288 18 R C 0.556 176.768 176.300 -0.146 0.000 1.051 18 R CA -0.567 55.389 56.100 -0.240 0.000 1.021 18 R CB 0.475 30.488 30.300 -0.477 0.000 1.032 18 R HN 0.174 nan 8.270 nan 0.000 0.481 19 G N 4.432 113.249 108.800 0.028 0.000 2.819 19 G HA2 0.005 3.953 3.960 -0.021 0.000 0.272 19 G HA3 0.005 3.953 3.960 -0.021 0.000 0.272 19 G C -0.764 174.321 174.900 0.307 0.000 0.701 19 G CA 0.070 45.244 45.100 0.124 0.000 2.095 19 G HN 0.350 nan 8.290 nan 0.000 0.577 20 Y N 0.469 120.782 120.300 0.022 0.000 2.352 20 Y HA 0.385 4.923 4.550 -0.021 0.000 0.326 20 Y C 1.190 177.106 175.900 0.027 0.000 1.166 20 Y CA -1.755 56.362 58.100 0.029 0.000 1.182 20 Y CB 1.360 39.839 38.460 0.033 0.000 1.216 20 Y HN 0.192 nan 8.280 nan 0.000 0.474 21 S N 2.455 118.238 115.700 0.138 0.000 2.572 21 S HA 0.263 4.721 4.470 -0.021 0.000 0.267 21 S C -0.408 174.263 174.600 0.117 0.000 1.361 21 S CA -0.282 57.968 58.200 0.083 0.000 1.009 21 S CB 0.201 63.411 63.200 0.016 0.000 0.888 21 S HN 0.546 nan 8.310 nan 0.000 0.553 22 L N 2.217 123.502 121.223 0.102 0.000 2.422 22 L HA 0.692 5.019 4.340 -0.021 0.000 0.264 22 L C -1.418 175.493 176.870 0.069 0.000 0.984 22 L CA -0.841 54.048 54.840 0.082 0.000 0.819 22 L CB 1.305 43.402 42.059 0.063 0.000 1.330 22 L HN 0.697 nan 8.230 nan 0.000 0.410 23 L N 1.160 122.370 121.223 -0.022 0.000 2.354 23 L HA 0.712 5.040 4.340 -0.021 0.000 0.269 23 L C -0.976 175.806 176.870 -0.147 0.000 1.005 23 L CA -0.791 53.928 54.840 -0.201 0.000 0.819 23 L CB 1.868 43.567 42.059 -0.599 0.000 1.311 23 L HN 0.467 nan 8.230 nan 0.000 0.423 24 K N 1.583 121.895 120.400 -0.147 0.000 2.961 24 K HA 0.430 4.738 4.320 -0.021 0.000 0.187 24 K C -0.410 176.137 176.600 -0.089 0.000 1.110 24 K CA -0.068 56.172 56.287 -0.078 0.000 0.968 24 K CB 0.670 33.153 32.500 -0.030 0.000 1.287 24 K HN 0.827 nan 8.250 nan 0.000 0.578 25 S N 0.149 115.776 115.700 -0.122 0.000 3.446 25 S HA 0.277 4.735 4.470 -0.021 0.000 0.177 25 S C -0.763 173.828 174.600 -0.016 0.000 0.834 25 S CA -0.225 57.922 58.200 -0.088 0.000 1.201 25 S CB 0.107 63.208 63.200 -0.165 0.000 0.765 25 S HN 0.308 nan 8.310 nan 0.000 0.761 26 E N 2.447 122.669 120.200 0.037 0.000 1.941 26 E HA 0.577 4.915 4.350 -0.021 0.000 0.275 26 E C -0.268 176.392 176.600 0.100 0.000 1.113 26 E CA 0.210 56.669 56.400 0.098 0.000 0.878 26 E CB 0.286 30.096 29.700 0.184 0.000 1.070 26 E HN 0.348 nan 8.360 nan 0.000 0.399 36 V N 1.597 121.534 119.914 0.037 0.000 2.252 36 V HA -0.202 3.905 4.120 -0.021 0.000 0.255 36 V C 1.829 177.976 176.094 0.089 0.000 1.071 36 V CA 2.724 65.049 62.300 0.042 0.000 1.050 36 V CB -0.445 31.387 31.823 0.014 0.000 0.654 36 V HN 0.641 nan 8.190 nan 0.000 0.448 37 D N -1.679 118.782 120.400 0.102 0.000 2.395 37 D HA 0.018 4.646 4.640 -0.021 0.000 0.250 37 D C 0.859 177.310 176.300 0.252 0.000 1.203 37 D CA 0.435 54.514 54.000 0.132 0.000 0.872 37 D CB 0.203 41.062 40.800 0.098 0.000 0.941 37 D HN 0.521 nan 8.370 nan 0.000 0.504 38 F N -0.177 119.784 119.950 0.019 0.000 2.880 38 F HA 0.273 4.788 4.527 -0.021 0.000 0.346 38 F C 1.636 177.459 175.800 0.039 0.000 1.054 38 F CA -0.407 57.607 58.000 0.023 0.000 1.151 38 F CB 0.305 39.310 39.000 0.009 0.000 1.066 38 F HN -0.173 nan 8.300 nan 0.000 0.566 39 I N 0.149 120.781 120.570 0.103 0.000 2.179 39 I HA -0.283 3.875 4.170 -0.021 0.000 0.242 39 I C 2.411 178.550 176.117 0.037 0.000 1.088 39 I CA 1.907 63.237 61.300 0.050 0.000 1.357 39 I CB -0.366 37.674 38.000 0.066 0.000 1.051 39 I HN 0.082 nan 8.210 nan 0.000 0.409 40 D N 0.618 121.061 120.400 0.072 0.000 2.221 40 D HA -0.176 4.452 4.640 -0.021 0.000 0.204 40 D C 1.869 178.210 176.300 0.068 0.000 0.982 40 D CA 1.830 55.912 54.000 0.137 0.000 0.857 40 D CB 0.196 41.077 40.800 0.136 0.000 0.934 40 D HN 0.338 nan 8.370 nan 0.000 0.475 41 T N 0.488 114.993 114.554 -0.081 0.000 2.851 41 T HA -0.000 4.337 4.350 -0.021 0.000 0.262 41 T C 2.278 176.858 174.700 -0.200 0.000 1.043 41 T CA 0.364 62.346 62.100 -0.197 0.000 1.140 41 T CB -0.170 68.419 68.868 -0.466 0.000 0.872 41 T HN 0.137 nan 8.240 nan 0.000 0.446 42 L N 0.122 121.199 121.223 -0.244 0.000 2.046 42 L HA -0.028 4.299 4.340 -0.021 0.000 0.208 42 L C 2.451 179.347 176.870 0.044 0.000 1.077 42 L CA 0.728 55.506 54.840 -0.103 0.000 0.747 42 L CB -0.560 41.457 42.059 -0.070 0.000 0.896 42 L HN 0.166 nan 8.230 nan 0.000 0.432 43 L N -0.322 120.919 121.223 0.030 0.000 2.005 43 L HA -0.209 4.118 4.340 -0.021 0.000 0.207 43 L C 2.361 179.168 176.870 -0.105 0.000 1.072 43 L CA 1.563 56.420 54.840 0.029 0.000 0.744 43 L CB -0.508 41.599 42.059 0.080 0.000 0.895 43 L HN 0.099 nan 8.230 nan 0.000 0.433 44 L N -1.801 119.341 121.223 -0.136 0.000 2.081 44 L HA -0.318 4.009 4.340 -0.021 0.000 0.212 44 L C 2.502 179.295 176.870 -0.129 0.000 1.080 44 L CA 1.643 56.366 54.840 -0.194 0.000 0.754 44 L CB -0.370 41.672 42.059 -0.029 0.000 0.893 44 L HN 0.448 nan 8.230 nan 0.000 0.433 45 Y N 0.012 120.219 120.300 -0.155 0.000 2.153 45 Y HA -0.247 4.291 4.550 -0.021 0.000 0.289 45 Y C 2.637 178.449 175.900 -0.147 0.000 1.127 45 Y CA 1.436 59.452 58.100 -0.141 0.000 1.131 45 Y CB -0.277 38.107 38.460 -0.127 0.000 0.995 45 Y HN 0.162 nan 8.280 nan 0.000 0.505 46 Q N 0.181 119.829 119.800 -0.254 0.000 2.297 46 Q HA -0.139 4.189 4.340 -0.021 0.000 0.208 46 Q C 2.071 177.849 176.000 -0.370 0.000 0.981 46 Q CA 1.529 57.109 55.803 -0.371 0.000 0.876 46 Q CB -0.059 28.586 28.738 -0.155 0.000 0.921 46 Q HN 0.581 nan 8.270 nan 0.000 0.446 47 L N -0.804 120.250 121.223 -0.282 0.000 2.515 47 L HA 0.017 4.345 4.340 -0.021 0.000 0.223 47 L C 1.914 178.594 176.870 -0.318 0.000 1.079 47 L CA 1.170 55.872 54.840 -0.230 0.000 0.857 47 L CB 0.239 42.213 42.059 -0.143 0.000 1.050 47 L HN 0.195 nan 8.230 nan 0.000 0.476 48 T N -5.719 108.611 114.554 -0.374 0.000 2.958 48 T HA 0.172 4.509 4.350 -0.021 0.000 0.256 48 T C 1.152 175.673 174.700 -0.298 0.000 0.983 48 T CA -0.155 61.728 62.100 -0.361 0.000 0.924 48 T CB 0.437 69.072 68.868 -0.388 0.000 1.136 48 T HN 0.167 nan 8.240 nan 0.000 0.506 49 E N 0.684 120.649 120.200 -0.393 0.000 2.606 49 E HA 0.213 4.550 4.350 -0.021 0.000 0.224 49 E C -0.089 176.240 176.600 -0.452 0.000 0.930 49 E CA -0.300 55.902 56.400 -0.329 0.000 1.125 49 E CB 0.507 30.125 29.700 -0.138 0.000 1.123 49 E HN 0.202 nan 8.360 nan 0.000 0.522 50 N N 2.025 120.331 118.700 -0.657 0.000 2.558 50 N HA -0.008 4.719 4.740 -0.021 0.000 0.233 50 N C 0.406 175.748 175.510 -0.280 0.000 1.038 50 N CA 0.134 52.871 53.050 -0.522 0.000 0.934 50 N CB 0.998 39.084 38.487 -0.669 0.000 1.175 50 N HN 0.051 nan 8.380 nan 0.000 0.512 51 E N 2.701 122.798 120.200 -0.172 0.000 2.265 51 E HA -0.158 4.180 4.350 -0.021 0.000 0.196 51 E C 1.033 177.578 176.600 -0.092 0.000 0.996 51 E CA 1.338 57.670 56.400 -0.113 0.000 0.832 51 E CB -0.001 29.657 29.700 -0.071 0.000 0.756 51 E HN 0.435 nan 8.360 nan 0.000 0.491 52 K N 0.071 120.412 120.400 -0.098 0.000 2.486 52 K HA 0.141 4.449 4.320 -0.021 0.000 0.194 52 K C -0.065 176.480 176.600 -0.091 0.000 1.033 52 K CA 0.127 56.369 56.287 -0.074 0.000 1.004 52 K CB 0.107 32.573 32.500 -0.058 0.000 0.798 52 K HN 0.179 nan 8.250 nan 0.000 0.495 53 L N 2.121 123.263 121.223 -0.135 0.000 2.397 53 L HA 0.087 4.414 4.340 -0.021 0.000 0.263 53 L C -0.191 176.647 176.870 -0.055 0.000 1.136 53 L CA -0.479 54.278 54.840 -0.138 0.000 1.019 53 L CB 0.769 42.668 42.059 -0.267 0.000 1.352 53 L HN 0.172 nan 8.230 nan 0.000 0.420 54 D N 0.369 120.765 120.400 -0.006 0.000 2.269 54 D HA -0.114 4.514 4.640 -0.021 0.000 0.208 54 D C 0.351 176.716 176.300 0.107 0.000 0.963 54 D CA 0.982 55.006 54.000 0.040 0.000 0.864 54 D CB 0.143 40.966 40.800 0.039 0.000 0.936 54 D HN 0.256 nan 8.370 nan 0.000 0.505 55 K N 0.519 120.989 120.400 0.116 0.000 2.602 55 K HA 0.213 4.521 4.320 -0.021 0.000 0.201 55 K C -2.127 174.593 176.600 0.201 0.000 1.070 55 K CA -1.526 54.882 56.287 0.201 0.000 1.026 55 K CB 1.952 34.569 32.500 0.194 0.000 1.534 55 K HN -0.092 nan 8.250 nan 0.000 0.560 56 P HA -0.206 nan 4.420 nan 0.000 0.213 56 P C 1.028 178.431 177.300 0.172 0.000 1.170 56 P CA 1.036 64.221 63.100 0.141 0.000 0.902 56 P CB 0.101 31.855 31.700 0.090 0.000 0.789 57 F N 0.521 120.392 119.950 -0.132 0.000 2.161 57 F HA -0.179 4.335 4.527 -0.021 0.000 0.300 57 F C 2.250 178.176 175.800 0.209 0.000 1.089 57 F CA 1.551 59.529 58.000 -0.038 0.000 1.282 57 F CB -0.487 38.369 39.000 -0.241 0.000 1.010 57 F HN -0.043 nan 8.300 nan 0.000 0.485 58 E N -1.368 119.027 120.200 0.325 0.000 2.204 58 E HA -0.268 4.070 4.350 -0.021 0.000 0.194 58 E C 2.051 178.679 176.600 0.047 0.000 0.989 58 E CA 1.005 57.554 56.400 0.248 0.000 0.824 58 E CB -0.373 29.498 29.700 0.284 0.000 0.756 58 E HN 0.586 nan 8.360 nan 0.000 0.477 59 Y N 1.140 121.411 120.300 -0.049 0.000 2.114 59 Y HA -0.148 4.389 4.550 -0.021 0.000 0.284 59 Y C 1.967 177.749 175.900 -0.196 0.000 1.119 59 Y CA 1.600 59.636 58.100 -0.106 0.000 1.108 59 Y CB -0.616 37.801 38.460 -0.072 0.000 0.995 59 Y HN -0.029 nan 8.280 nan 0.000 0.491 60 L N 0.904 121.922 121.223 -0.343 0.000 2.089 60 L HA -0.329 3.998 4.340 -0.021 0.000 0.213 60 L C 2.582 178.936 176.870 -0.861 0.000 1.079 60 L CA 1.919 56.448 54.840 -0.519 0.000 0.758 60 L CB -0.771 41.181 42.059 -0.178 0.000 0.891 60 L HN 0.475 nan 8.230 nan 0.000 0.433 61 N N -0.181 118.039 118.700 -0.801 0.000 2.106 61 N HA -0.201 4.527 4.740 -0.021 0.000 0.188 61 N C 1.395 176.558 175.510 -0.578 0.000 1.029 61 N CA 1.498 54.010 53.050 -0.897 0.000 0.848 61 N CB 0.048 38.200 38.487 -0.557 0.000 1.007 61 N HN 0.307 nan 8.380 nan 0.000 0.423 62 D N 0.601 120.734 120.400 -0.444 0.000 2.144 62 D HA -0.086 4.542 4.640 -0.021 0.000 0.199 62 D C 2.092 178.176 176.300 -0.361 0.000 0.984 62 D CA 0.573 54.374 54.000 -0.331 0.000 0.834 62 D CB -0.406 40.261 40.800 -0.222 0.000 0.955 62 D HN 0.344 nan 8.370 nan 0.000 0.465 63 C N 0.434 119.432 119.300 -0.504 0.000 2.436 63 C HA -0.152 4.295 4.460 -0.021 0.000 0.277 63 C C 2.534 177.323 174.990 -0.335 0.000 1.241 63 C CA 0.124 58.868 59.018 -0.456 0.000 1.721 63 C CB -1.307 26.073 27.740 -0.600 0.000 2.043 63 C HN 0.329 nan 8.230 nan 0.000 0.472 64 F N 2.333 121.949 119.950 -0.557 0.000 2.161 64 F HA -0.182 4.333 4.527 -0.021 0.000 0.300 64 F C 2.653 178.255 175.800 -0.331 0.000 1.089 64 F CA 2.084 59.800 58.000 -0.473 0.000 1.282 64 F CB -0.447 38.080 39.000 -0.788 0.000 1.010 64 F HN 0.098 nan 8.300 nan 0.000 0.485 65 R N 1.038 121.350 120.500 -0.314 0.000 2.115 65 R HA -0.078 4.249 4.340 -0.021 0.000 0.226 65 R C 2.229 178.343 176.300 -0.309 0.000 1.100 65 R CA 1.286 57.199 56.100 -0.312 0.000 0.980 65 R CB -0.586 29.611 30.300 -0.172 0.000 0.875 65 R HN 0.309 nan 8.270 nan 0.000 0.445 66 R N 0.382 120.721 120.500 -0.267 0.000 2.090 66 R HA -0.066 4.262 4.340 -0.021 0.000 0.228 66 R C 2.074 178.243 176.300 -0.219 0.000 1.110 66 R CA 1.543 57.521 56.100 -0.204 0.000 0.973 66 R CB -0.375 29.827 30.300 -0.163 0.000 0.869 66 R HN 0.247 nan 8.270 nan 0.000 0.440 67 N N 0.530 119.073 118.700 -0.262 0.000 2.223 67 N HA -0.164 4.564 4.740 -0.021 0.000 0.185 67 N C 1.535 176.804 175.510 -0.402 0.000 1.016 67 N CA 1.274 54.181 53.050 -0.238 0.000 0.863 67 N CB 0.148 38.514 38.487 -0.201 0.000 0.983 67 N HN 0.129 nan 8.380 nan 0.000 0.429 68 Q N -0.435 119.072 119.800 -0.490 0.000 2.245 68 Q HA -0.057 4.270 4.340 -0.021 0.000 0.201 68 Q C 1.651 177.440 176.000 -0.351 0.000 0.955 68 Q CA 0.763 56.280 55.803 -0.476 0.000 0.870 68 Q CB -0.220 28.190 28.738 -0.547 0.000 0.945 68 Q HN 0.490 nan 8.270 nan 0.000 0.461 69 Q N 0.653 120.280 119.800 -0.289 0.000 2.096 69 Q HA -0.050 4.277 4.340 -0.021 0.000 0.197 69 Q C 1.861 177.737 176.000 -0.206 0.000 0.964 69 Q CA 1.207 56.886 55.803 -0.205 0.000 0.838 69 Q CB 0.047 28.693 28.738 -0.153 0.000 0.906 69 Q HN 0.120 nan 8.270 nan 0.000 0.444 70 Q N -0.027 119.639 119.800 -0.224 0.000 2.364 70 Q HA -0.095 4.232 4.340 -0.021 0.000 0.207 70 Q C 1.511 177.240 176.000 -0.452 0.000 0.970 70 Q CA 0.922 56.617 55.803 -0.180 0.000 0.888 70 Q CB 0.131 28.868 28.738 -0.003 0.000 0.951 70 Q HN 0.380 nan 8.270 nan 0.000 0.469 71 K N 0.156 120.153 120.400 -0.672 0.000 2.067 71 K HA 0.009 4.316 4.320 -0.021 0.000 0.203 71 K C 1.867 178.227 176.600 -0.400 0.000 1.048 71 K CA 0.388 56.160 56.287 -0.859 0.000 0.954 71 K CB 0.221 32.261 32.500 -0.766 0.000 0.737 71 K HN -0.009 nan 8.250 nan 0.000 0.444 72 R N 0.318 120.653 120.500 -0.275 0.000 2.189 72 R HA 0.043 4.371 4.340 -0.021 0.000 0.218 72 R C 2.118 178.350 176.300 -0.113 0.000 1.074 72 R CA 0.729 56.732 56.100 -0.162 0.000 0.991 72 R CB -0.008 30.212 30.300 -0.134 0.000 0.883 72 R HN 0.267 nan 8.270 nan 0.000 0.457 73 I N -0.302 120.197 120.570 -0.118 0.000 2.480 73 I HA -0.163 3.995 4.170 -0.021 0.000 0.251 73 I C 1.744 177.845 176.117 -0.028 0.000 1.124 73 I CA 1.087 62.350 61.300 -0.062 0.000 1.444 73 I CB -0.092 37.878 38.000 -0.050 0.000 1.098 73 I HN 0.120 nan 8.210 nan 0.000 0.428 74 T N 1.445 115.984 114.554 -0.024 0.000 2.698 74 T HA -0.153 4.184 4.350 -0.021 0.000 0.260 74 T C 1.813 176.539 174.700 0.044 0.000 1.044 74 T CA 1.526 63.657 62.100 0.051 0.000 1.149 74 T CB -0.267 68.705 68.868 0.174 0.000 0.864 74 T HN 0.380 nan 8.240 nan 0.000 0.419 75 K N 1.785 122.201 120.400 0.026 0.000 2.207 75 K HA -0.195 4.112 4.320 -0.021 0.000 0.208 75 K C 1.100 177.711 176.600 0.018 0.000 1.046 75 K CA 1.763 58.068 56.287 0.030 0.000 0.929 75 K CB -0.525 31.979 32.500 0.007 0.000 0.720 75 K HN 0.179 nan 8.250 nan 0.000 0.463 76 N N 1.796 120.498 118.700 0.005 0.000 2.482 76 N HA 0.082 4.809 4.740 -0.021 0.000 0.220 76 N C -0.758 174.759 175.510 0.012 0.000 1.255 76 N CA 0.553 53.605 53.050 0.003 0.000 0.850 76 N CB 0.246 38.729 38.487 -0.006 0.000 1.127 76 N HN 0.374 nan 8.380 nan 0.000 0.475 77 K N -0.827 119.586 120.400 0.022 0.000 2.571 77 K HA 0.261 4.569 4.320 -0.021 0.000 0.289 77 K C -1.898 174.720 176.600 0.031 0.000 1.028 77 K CA -1.211 55.091 56.287 0.026 0.000 0.895 77 K CB 1.892 34.411 32.500 0.032 0.000 1.534 77 K HN -0.238 nan 8.250 nan 0.000 0.421 78 P HA -0.124 nan 4.420 nan 0.000 0.212 78 P C 0.786 178.108 177.300 0.036 0.000 1.179 78 P CA 1.562 64.679 63.100 0.028 0.000 0.898 78 P CB 0.013 31.727 31.700 0.023 0.000 0.775 79 N N 0.380 119.105 118.700 0.041 0.000 2.580 79 N HA -0.175 4.552 4.740 -0.021 0.000 0.193 79 N C 1.592 177.138 175.510 0.060 0.000 1.075 79 N CA 1.067 54.145 53.050 0.047 0.000 0.921 79 N CB -0.681 37.837 38.487 0.051 0.000 0.950 79 N HN 0.107 nan 8.380 nan 0.000 0.449 80 A N 1.820 124.684 122.820 0.073 0.000 1.879 80 A HA -0.348 3.960 4.320 -0.021 0.000 0.222 80 A C 2.040 179.694 177.584 0.117 0.000 1.368 80 A CA 2.471 54.574 52.037 0.110 0.000 0.707 80 A CB -1.343 17.710 19.000 0.090 0.000 0.846 80 A HN 0.705 nan 8.150 nan 0.000 0.468 81 E N 1.159 121.405 120.200 0.077 0.000 2.197 81 E HA -0.296 4.042 4.350 -0.021 0.000 0.205 81 E C 1.842 178.479 176.600 0.062 0.000 1.029 81 E CA 2.451 58.886 56.400 0.058 0.000 0.828 81 E CB -1.208 28.503 29.700 0.018 0.000 0.737 81 E HN 0.782 nan 8.360 nan 0.000 0.464 82 S N -0.420 115.304 115.700 0.040 0.000 2.515 82 S HA -0.016 4.442 4.470 -0.021 0.000 0.231 82 S C 1.812 176.391 174.600 -0.034 0.000 0.987 82 S CA 0.683 58.890 58.200 0.012 0.000 0.936 82 S CB -0.027 63.178 63.200 0.008 0.000 0.766 82 S HN 0.148 nan 8.310 nan 0.000 0.528 83 L N 1.027 122.221 121.223 -0.047 0.000 2.316 83 L HA 0.236 4.564 4.340 -0.021 0.000 0.207 83 L C 2.403 179.087 176.870 -0.310 0.000 1.070 83 L CA 1.012 55.673 54.840 -0.299 0.000 0.820 83 L CB -1.307 40.497 42.059 -0.425 0.000 0.992 83 L HN 0.417 nan 8.230 nan 0.000 0.466 84 H N -0.396 118.663 119.070 -0.018 0.000 2.375 84 H HA -0.302 4.242 4.556 -0.021 0.000 0.289 84 H C 2.264 177.608 175.328 0.027 0.000 1.121 84 H CA 2.101 58.233 56.048 0.140 0.000 1.207 84 H CB 0.026 29.858 29.762 0.117 0.000 1.355 84 H HN 0.339 nan 8.280 nan 0.000 0.486 85 S N -0.812 114.940 115.700 0.086 0.000 2.374 85 S HA -0.185 4.273 4.470 -0.021 0.000 0.227 85 S C 2.351 176.898 174.600 -0.089 0.000 1.037 85 S CA 2.726 60.943 58.200 0.029 0.000 1.024 85 S CB -0.610 62.607 63.200 0.029 0.000 0.861 85 S HN 0.831 nan 8.310 nan 0.000 0.456 86 T N -0.927 113.508 114.554 -0.199 0.000 2.770 86 T HA 0.033 4.370 4.350 -0.021 0.000 0.258 86 T C 1.522 176.123 174.700 -0.164 0.000 1.039 86 T CA 1.058 63.028 62.100 -0.217 0.000 1.143 86 T CB -0.927 67.746 68.868 -0.325 0.000 0.866 86 T HN 0.323 nan 8.240 nan 0.000 0.428 87 F N 2.252 122.139 119.950 -0.104 0.000 2.115 87 F HA -0.069 4.446 4.527 -0.021 0.000 0.300 87 F C 2.869 178.581 175.800 -0.146 0.000 1.092 87 F CA 1.123 59.044 58.000 -0.132 0.000 1.245 87 F CB -1.391 37.515 39.000 -0.156 0.000 0.995 87 F HN 0.190 nan 8.300 nan 0.000 0.481 88 Q N 0.416 120.202 119.800 -0.024 0.000 2.014 88 Q HA -0.261 4.066 4.340 -0.021 0.000 0.207 88 Q C 2.184 178.177 176.000 -0.012 0.000 0.993 88 Q CA 2.144 57.897 55.803 -0.083 0.000 0.850 88 Q CB -0.392 28.241 28.738 -0.176 0.000 0.916 88 Q HN 0.334 nan 8.270 nan 0.000 0.417 89 E N -0.407 119.786 120.200 -0.010 0.000 2.204 89 E HA -0.108 4.230 4.350 -0.021 0.000 0.194 89 E C 1.665 178.286 176.600 0.035 0.000 0.989 89 E CA 0.993 57.401 56.400 0.014 0.000 0.824 89 E CB -0.215 29.494 29.700 0.014 0.000 0.756 89 E HN 0.525 nan 8.360 nan 0.000 0.477 90 I N 0.403 120.995 120.570 0.037 0.000 2.163 90 I HA -0.243 3.915 4.170 -0.021 0.000 0.240 90 I C 1.788 177.950 176.117 0.075 0.000 1.081 90 I CA 1.342 62.672 61.300 0.050 0.000 1.353 90 I CB -0.282 37.745 38.000 0.046 0.000 1.054 90 I HN 0.112 nan 8.210 nan 0.000 0.407 91 D N 0.603 121.051 120.400 0.081 0.000 2.106 91 D HA -0.239 4.389 4.640 -0.021 0.000 0.191 91 D C 2.192 178.567 176.300 0.126 0.000 0.997 91 D CA 1.261 55.345 54.000 0.140 0.000 0.834 91 D CB -0.315 40.551 40.800 0.109 0.000 0.956 91 D HN 0.150 nan 8.370 nan 0.000 0.448 92 R N 0.167 120.709 120.500 0.070 0.000 2.117 92 R HA -0.136 4.191 4.340 -0.021 0.000 0.243 92 R C 2.090 178.400 176.300 0.017 0.000 1.143 92 R CA 1.121 57.243 56.100 0.037 0.000 0.968 92 R CB -0.213 30.098 30.300 0.017 0.000 0.863 92 R HN 0.249 nan 8.270 nan 0.000 0.444 93 L N -0.614 120.635 121.223 0.044 0.000 2.221 93 L HA -0.002 4.325 4.340 -0.021 0.000 0.202 93 L C 2.380 179.332 176.870 0.136 0.000 1.074 93 L CA 0.131 54.994 54.840 0.038 0.000 0.795 93 L CB -0.123 42.008 42.059 0.119 0.000 0.960 93 L HN -0.006 nan 8.230 nan 0.000 0.458 94 V N 1.501 121.517 119.914 0.170 0.000 2.255 94 V HA -0.307 3.801 4.120 -0.021 0.000 0.247 94 V C 2.401 178.681 176.094 0.309 0.000 1.051 94 V CA 2.416 64.835 62.300 0.199 0.000 1.018 94 V CB -0.454 31.425 31.823 0.093 0.000 0.641 94 V HN 0.496 nan 8.190 nan 0.000 0.445 95 I N -0.591 120.156 120.570 0.294 0.000 2.394 95 I HA 0.005 4.163 4.170 -0.021 0.000 0.251 95 I C 2.318 178.453 176.117 0.029 0.000 1.136 95 I CA 1.840 63.277 61.300 0.229 0.000 1.425 95 I CB -1.106 36.944 38.000 0.084 0.000 1.079 95 I HN 0.232 nan 8.210 nan 0.000 0.425 96 G N 0.372 109.165 108.800 -0.012 0.000 2.432 96 G HA2 -0.231 3.717 3.960 -0.021 0.000 0.219 96 G HA3 -0.231 3.717 3.960 -0.021 0.000 0.219 96 G C 1.310 176.093 174.900 -0.196 0.000 1.135 96 G CA 0.671 45.679 45.100 -0.154 0.000 0.767 96 G HN 0.453 nan 8.290 nan 0.000 0.550 97 Y N 0.825 121.138 120.300 0.022 0.000 2.448 97 Y HA 0.196 4.734 4.550 -0.021 0.000 0.289 97 Y C 2.850 178.774 175.900 0.041 0.000 1.114 97 Y CA 0.052 58.152 58.100 -0.001 0.000 1.235 97 Y CB -0.326 38.193 38.460 0.099 0.000 1.045 97 Y HN 0.175 nan 8.280 nan 0.000 0.554 98 G N -0.708 108.248 108.800 0.260 0.000 2.432 98 G HA2 -0.179 3.768 3.960 -0.021 0.000 0.219 98 G HA3 -0.179 3.768 3.960 -0.021 0.000 0.219 98 G C 1.760 176.713 174.900 0.089 0.000 1.135 98 G CA 1.220 46.462 45.100 0.236 0.000 0.767 98 G HN 0.261 nan 8.290 nan 0.000 0.550 99 V N 0.312 120.196 119.914 -0.049 0.000 2.379 99 V HA -0.124 3.984 4.120 -0.021 0.000 0.245 99 V C 2.974 179.026 176.094 -0.070 0.000 1.044 99 V CA 1.272 63.514 62.300 -0.098 0.000 1.036 99 V CB -0.087 31.655 31.823 -0.135 0.000 0.664 99 V HN 0.240 nan 8.190 nan 0.000 0.453 100 V N 0.311 120.166 119.914 -0.098 0.000 2.427 100 V HA -0.200 3.908 4.120 -0.021 0.000 0.248 100 V C 2.642 178.678 176.094 -0.098 0.000 1.051 100 V CA 1.749 63.932 62.300 -0.195 0.000 1.048 100 V CB -0.907 30.645 31.823 -0.453 0.000 0.666 100 V HN 0.558 nan 8.190 nan 0.000 0.456 101 A N -0.478 122.363 122.820 0.035 0.000 2.070 101 A HA -0.043 4.265 4.320 -0.021 0.000 0.220 101 A C 1.731 179.504 177.584 0.315 0.000 1.159 101 A CA 1.275 53.429 52.037 0.196 0.000 0.656 101 A CB -0.341 18.796 19.000 0.228 0.000 0.800 101 A HN 0.555 nan 8.150 nan 0.000 0.453 102 L N -1.467 119.843 121.223 0.146 0.000 3.062 102 L HA 0.262 4.590 4.340 -0.021 0.000 0.255 102 L C 1.150 177.958 176.870 -0.104 0.000 1.274 102 L CA -0.010 54.813 54.840 -0.029 0.000 1.047 102 L CB 0.161 42.062 42.059 -0.263 0.000 1.402 102 L HN 0.394 nan 8.230 nan 0.000 0.550 103 Q N -0.468 119.440 119.800 0.180 0.000 2.485 103 Q HA 0.286 4.614 4.340 -0.021 0.000 0.228 103 Q C 0.020 176.202 176.000 0.303 0.000 0.763 103 Q CA -0.043 55.835 55.803 0.126 0.000 0.959 103 Q CB 1.826 30.566 28.738 0.005 0.000 1.314 103 Q HN 0.168 nan 8.270 nan 0.000 0.508 104 I N 2.147 122.877 120.570 0.266 0.000 2.339 104 I HA 0.127 4.284 4.170 -0.021 0.000 0.290 104 I C 1.091 177.260 176.117 0.086 0.000 0.994 104 I CA 0.034 61.440 61.300 0.178 0.000 1.191 104 I CB 1.430 39.504 38.000 0.123 0.000 1.343 104 I HN 0.181 nan 8.210 nan 0.000 0.458 105 E N 5.768 125.892 120.200 -0.126 0.000 2.002 105 E HA -0.175 4.163 4.350 -0.021 0.000 0.205 105 E C 0.499 176.921 176.600 -0.298 0.000 1.020 105 E CA 1.859 57.923 56.400 -0.561 0.000 0.856 105 E CB 0.127 29.590 29.700 -0.396 0.000 0.788 105 E HN 0.495 nan 8.360 nan 0.000 0.477 106 N N 0.637 119.266 118.700 -0.118 0.000 3.298 106 N HA 0.057 4.784 4.740 -0.021 0.000 0.292 106 N C -0.286 175.255 175.510 0.051 0.000 1.271 106 N CA -0.003 53.018 53.050 -0.048 0.000 1.184 106 N CB 0.035 38.485 38.487 -0.062 0.000 1.452 106 N HN 0.205 nan 8.380 nan 0.000 0.534 107 F N -0.072 119.869 119.950 -0.016 0.000 2.437 107 F HA 0.224 4.739 4.527 -0.021 0.000 0.288 107 F C 0.762 176.576 175.800 0.022 0.000 1.085 107 F CA 0.028 58.043 58.000 0.025 0.000 1.430 107 F CB 0.420 39.464 39.000 0.072 0.000 1.120 107 F HN 0.051 nan 8.300 nan 0.000 0.556 108 C N 1.294 120.608 119.300 0.023 0.000 2.347 108 C HA 0.246 4.694 4.460 -0.021 0.000 0.366 108 C C 1.886 176.819 174.990 -0.095 0.000 1.241 108 C CA -0.532 58.442 59.018 -0.074 0.000 2.360 108 C CB 1.052 28.888 27.740 0.159 0.000 2.290 108 C HN 0.628 nan 8.230 nan 0.000 0.587 109 M N 1.544 121.070 119.600 -0.124 0.000 2.562 109 M HA 0.083 4.551 4.480 -0.021 0.000 0.257 109 M C -0.151 176.119 176.300 -0.049 0.000 1.099 109 M CA 1.499 56.733 55.300 -0.111 0.000 1.099 109 M CB -0.209 32.298 32.600 -0.155 0.000 1.427 109 M HN 0.666 nan 8.290 nan 0.000 0.489 110 N N 0.359 119.066 118.700 0.012 0.000 2.264 110 N HA 0.485 5.212 4.740 -0.021 0.000 0.288 110 N C -0.355 175.230 175.510 0.125 0.000 1.094 110 N CA 0.631 53.709 53.050 0.048 0.000 0.817 110 N CB 1.979 40.492 38.487 0.043 0.000 1.604 110 N HN 0.384 nan 8.380 nan 0.000 0.473 111 G N 0.587 109.407 108.800 0.035 0.000 2.752 111 G HA2 0.236 4.183 3.960 -0.021 0.000 0.234 111 G HA3 0.236 4.183 3.960 -0.021 0.000 0.234 111 G C -0.826 173.934 174.900 -0.232 0.000 1.367 111 G CA 0.006 45.062 45.100 -0.073 0.000 0.879 111 G HN 0.975 nan 8.290 nan 0.000 0.563 112 A N -2.663 119.807 122.820 -0.583 0.000 2.534 112 A HA 0.820 5.128 4.320 -0.021 0.000 0.300 112 A C 0.727 177.718 177.584 -0.987 0.000 1.223 112 A CA 0.431 52.076 52.037 -0.653 0.000 0.666 112 A CB 0.027 18.795 19.000 -0.387 0.000 1.316 112 A HN 1.254 nan 8.150 nan 0.000 0.468 113 F N 0.111 119.751 119.950 -0.517 0.000 2.087 113 F HA -0.196 4.318 4.527 -0.021 0.000 0.299 113 F C 2.087 177.628 175.800 -0.430 0.000 1.100 113 F CA 2.246 60.006 58.000 -0.401 0.000 1.226 113 F CB -1.095 37.774 39.000 -0.217 0.000 0.983 113 F HN 0.412 nan 8.300 nan 0.000 0.479 114 I N 0.344 120.819 120.570 -0.159 0.000 2.264 114 I HA -0.289 3.868 4.170 -0.021 0.000 0.248 114 I C 1.811 177.790 176.117 -0.231 0.000 1.111 114 I CA 1.520 62.697 61.300 -0.204 0.000 1.382 114 I CB -1.433 36.464 38.000 -0.171 0.000 1.060 114 I HN 0.125 nan 8.210 nan 0.000 0.418 115 N N -0.684 117.849 118.700 -0.280 0.000 2.244 115 N HA -0.171 4.557 4.740 -0.021 0.000 0.183 115 N C 1.631 177.119 175.510 -0.038 0.000 1.016 115 N CA 0.992 53.949 53.050 -0.155 0.000 0.866 115 N CB -0.248 38.140 38.487 -0.166 0.000 0.980 115 N HN 0.286 nan 8.380 nan 0.000 0.430 116 Y N 1.085 121.352 120.300 -0.055 0.000 2.153 116 Y HA -0.010 4.528 4.550 -0.021 0.000 0.289 116 Y C 2.198 177.930 175.900 -0.279 0.000 1.127 116 Y CA 0.113 58.141 58.100 -0.121 0.000 1.131 116 Y CB -1.146 37.163 38.460 -0.251 0.000 0.995 116 Y HN 0.081 nan 8.280 nan 0.000 0.505 117 I N -1.779 118.666 120.570 -0.207 0.000 2.567 117 I HA -0.137 4.020 4.170 -0.021 0.000 0.257 117 I C 1.772 177.640 176.117 -0.414 0.000 1.184 117 I CA 1.750 62.829 61.300 -0.368 0.000 1.451 117 I CB -1.384 36.364 38.000 -0.421 0.000 1.089 117 I HN -0.007 nan 8.210 nan 0.000 0.441 118 T N 1.219 115.588 114.554 -0.309 0.000 2.777 118 T HA -0.011 4.326 4.350 -0.021 0.000 0.266 118 T C 1.923 176.529 174.700 -0.157 0.000 1.040 118 T CA 1.576 63.503 62.100 -0.288 0.000 1.141 118 T CB -0.957 67.910 68.868 -0.002 0.000 0.868 118 T HN 0.637 nan 8.240 nan 0.000 0.444 119 G N 1.294 110.060 108.800 -0.056 0.000 2.422 119 G HA2 -0.130 3.818 3.960 -0.021 0.000 0.218 119 G HA3 -0.130 3.818 3.960 -0.021 0.000 0.218 119 G C 1.524 176.364 174.900 -0.100 0.000 1.146 119 G CA 0.491 45.616 45.100 0.042 0.000 0.769 119 G HN 0.491 nan 8.290 nan 0.000 0.547 120 I N 0.344 120.666 120.570 -0.413 0.000 2.179 120 I HA -0.150 4.007 4.170 -0.021 0.000 0.242 120 I C 2.754 178.739 176.117 -0.220 0.000 1.088 120 I CA 0.502 61.455 61.300 -0.579 0.000 1.357 120 I CB -0.349 37.320 38.000 -0.552 0.000 1.051 120 I HN 0.017 nan 8.210 nan 0.000 0.409 121 V N 0.348 120.098 119.914 -0.273 0.000 2.343 121 V HA -0.265 3.842 4.120 -0.021 0.000 0.247 121 V C 2.513 178.587 176.094 -0.034 0.000 1.051 121 V CA 2.194 64.373 62.300 -0.202 0.000 1.036 121 V CB -0.602 30.926 31.823 -0.491 0.000 0.654 121 V HN 0.384 nan 8.190 nan 0.000 0.451 122 S N -0.228 115.471 115.700 -0.001 0.000 2.419 122 S HA -0.103 4.354 4.470 -0.021 0.000 0.233 122 S C 1.357 176.029 174.600 0.120 0.000 1.016 122 S CA 1.140 59.396 58.200 0.094 0.000 0.974 122 S CB -0.185 63.087 63.200 0.119 0.000 0.786 122 S HN 0.598 nan 8.310 nan 0.000 0.492 123 N N 0.511 119.306 118.700 0.158 0.000 2.636 123 N HA 0.172 4.900 4.740 -0.021 0.000 0.287 123 N C 0.516 176.197 175.510 0.286 0.000 1.817 123 N CA 0.011 53.185 53.050 0.206 0.000 0.842 123 N CB 0.799 39.427 38.487 0.235 0.000 1.353 123 N HN 0.051 nan 8.380 nan 0.000 0.500 124 V N 1.259 121.289 119.914 0.193 0.000 2.278 124 V HA -0.308 3.799 4.120 -0.021 0.000 0.251 124 V C 1.852 178.085 176.094 0.233 0.000 1.062 124 V CA 2.019 64.439 62.300 0.200 0.000 1.038 124 V CB -0.144 31.753 31.823 0.123 0.000 0.646 124 V HN 0.492 nan 8.190 nan 0.000 0.447 125 N N 0.221 119.020 118.700 0.164 0.000 2.094 125 N HA -0.138 4.589 4.740 -0.021 0.000 0.191 125 N C 1.814 177.398 175.510 0.123 0.000 1.023 125 N CA 1.897 55.023 53.050 0.126 0.000 0.857 125 N CB -0.482 38.055 38.487 0.083 0.000 1.013 125 N HN 0.500 nan 8.380 nan 0.000 0.426 126 S N -0.298 115.470 115.700 0.113 0.000 2.603 126 S HA 0.025 4.482 4.470 -0.021 0.000 0.229 126 S C 0.879 175.441 174.600 -0.063 0.000 0.972 126 S CA 0.281 58.480 58.200 -0.002 0.000 0.935 126 S CB -0.095 63.057 63.200 -0.081 0.000 0.769 126 S HN 0.413 nan 8.310 nan 0.000 0.536 127 Y N 0.048 120.413 120.300 0.108 0.000 2.444 127 Y HA 0.118 4.656 4.550 -0.021 0.000 0.252 127 Y C 2.558 178.538 175.900 0.133 0.000 1.091 127 Y CA 0.123 58.310 58.100 0.146 0.000 1.276 127 Y CB -0.491 38.080 38.460 0.185 0.000 1.170 127 Y HN 0.199 nan 8.280 nan 0.000 0.517 128 T N 0.318 115.021 114.554 0.248 0.000 2.531 128 T HA -0.284 4.054 4.350 -0.021 0.000 0.261 128 T C 1.574 176.355 174.700 0.136 0.000 1.141 128 T CA 2.680 64.880 62.100 0.167 0.000 1.176 128 T CB -0.391 68.557 68.868 0.132 0.000 0.863 128 T HN 0.270 nan 8.240 nan 0.000 0.424 129 D N 0.013 120.510 120.400 0.161 0.000 2.116 129 D HA -0.078 4.549 4.640 -0.021 0.000 0.193 129 D C 1.736 178.091 176.300 0.091 0.000 0.998 129 D CA 1.161 55.275 54.000 0.191 0.000 0.836 129 D CB -0.706 40.284 40.800 0.317 0.000 0.951 129 D HN 0.480 nan 8.370 nan 0.000 0.449 130 F N 1.217 121.024 119.950 -0.238 0.000 2.102 130 F HA -0.075 4.439 4.527 -0.021 0.000 0.298 130 F C 2.174 177.753 175.800 -0.368 0.000 1.105 130 F CA 0.883 58.438 58.000 -0.743 0.000 1.239 130 F CB -0.637 37.985 39.000 -0.629 0.000 0.991 130 F HN -0.096 nan 8.300 nan 0.000 0.474 131 L N -0.746 120.382 121.223 -0.157 0.000 2.042 131 L HA -0.261 4.067 4.340 -0.021 0.000 0.210 131 L C 2.797 179.485 176.870 -0.304 0.000 1.076 131 L CA 1.628 56.333 54.840 -0.224 0.000 0.749 131 L CB -1.001 41.033 42.059 -0.042 0.000 0.893 131 L HN 0.240 nan 8.230 nan 0.000 0.432 132 S N -0.839 114.761 115.700 -0.167 0.000 2.359 132 S HA -0.235 4.223 4.470 -0.021 0.000 0.224 132 S C 2.049 176.535 174.600 -0.190 0.000 1.035 132 S CA 1.317 59.455 58.200 -0.104 0.000 1.018 132 S CB -0.068 63.176 63.200 0.073 0.000 0.876 132 S HN 0.383 nan 8.310 nan 0.000 0.448 133 Q N 0.738 120.426 119.800 -0.187 0.000 2.084 133 Q HA -0.014 4.313 4.340 -0.021 0.000 0.202 133 Q C 2.292 178.123 176.000 -0.282 0.000 0.978 133 Q CA 1.434 57.127 55.803 -0.183 0.000 0.844 133 Q CB -0.649 27.986 28.738 -0.172 0.000 0.898 133 Q HN 0.652 nan 8.270 nan 0.000 0.426 134 I N 0.232 120.548 120.570 -0.423 0.000 2.163 134 I HA -0.292 3.866 4.170 -0.021 0.000 0.243 134 I C 2.279 178.190 176.117 -0.344 0.000 1.085 134 I CA 0.999 62.053 61.300 -0.409 0.000 1.347 134 I CB -0.342 37.364 38.000 -0.491 0.000 1.044 134 I HN 0.128 nan 8.210 nan 0.000 0.408 135 I N 0.451 120.751 120.570 -0.449 0.000 2.142 135 I HA -0.337 3.820 4.170 -0.021 0.000 0.240 135 I C 2.721 178.541 176.117 -0.495 0.000 1.078 135 I CA 1.575 62.543 61.300 -0.554 0.000 1.343 135 I CB -0.452 36.959 38.000 -0.983 0.000 1.046 135 I HN 0.298 nan 8.210 nan 0.000 0.405 136 Q N 0.002 119.516 119.800 -0.476 0.000 2.096 136 Q HA -0.242 4.086 4.340 -0.021 0.000 0.204 136 Q C 2.380 178.275 176.000 -0.175 0.000 0.982 136 Q CA 1.158 56.798 55.803 -0.273 0.000 0.850 136 Q CB -0.328 28.339 28.738 -0.118 0.000 0.901 136 Q HN 0.351 nan 8.270 nan 0.000 0.422 137 R N 0.694 121.089 120.500 -0.174 0.000 2.083 137 R HA -0.093 4.234 4.340 -0.021 0.000 0.237 137 R C 2.133 178.356 176.300 -0.127 0.000 1.137 137 R CA 1.569 57.590 56.100 -0.131 0.000 0.951 137 R CB -0.703 29.512 30.300 -0.141 0.000 0.851 137 R HN 0.318 nan 8.270 nan 0.000 0.434 138 A N 1.115 123.842 122.820 -0.156 0.000 1.969 138 A HA -0.123 4.185 4.320 -0.021 0.000 0.218 138 A C 2.196 179.717 177.584 -0.106 0.000 1.169 138 A CA 1.466 53.427 52.037 -0.127 0.000 0.635 138 A CB -0.544 18.377 19.000 -0.131 0.000 0.810 138 A HN 0.530 nan 8.150 nan 0.000 0.445 139 I N -2.555 117.942 120.570 -0.122 0.000 2.480 139 I HA -0.051 4.106 4.170 -0.021 0.000 0.251 139 I C 1.980 178.063 176.117 -0.057 0.000 1.124 139 I CA 1.037 62.287 61.300 -0.083 0.000 1.444 139 I CB -0.187 37.763 38.000 -0.084 0.000 1.098 139 I HN 0.205 nan 8.210 nan 0.000 0.428 140 L N 0.956 122.143 121.223 -0.060 0.000 2.131 140 L HA -0.146 4.182 4.340 -0.021 0.000 0.210 140 L C 2.186 179.032 176.870 -0.040 0.000 1.092 140 L CA 1.528 56.344 54.840 -0.040 0.000 0.759 140 L CB -0.372 41.664 42.059 -0.038 0.000 0.903 140 L HN 0.312 nan 8.230 nan 0.000 0.435 141 E N -0.610 119.559 120.200 -0.052 0.000 2.479 141 E HA 0.086 4.424 4.350 -0.021 0.000 0.193 141 E C 0.993 177.566 176.600 -0.045 0.000 1.049 141 E CA 0.431 56.801 56.400 -0.049 0.000 0.870 141 E CB 0.369 30.033 29.700 -0.060 0.000 0.944 141 E HN 0.401 nan 8.360 nan 0.000 0.492 142 G N 1.359 110.132 108.800 -0.045 0.000 2.272 142 G HA2 -0.282 3.666 3.960 -0.021 0.000 0.280 142 G HA3 -0.282 3.666 3.960 -0.021 0.000 0.280 142 G C 0.554 175.428 174.900 -0.044 0.000 1.067 142 G CA 0.749 45.825 45.100 -0.040 0.000 0.902 142 G HN 0.291 nan 8.290 nan 0.000 0.500 143 T N -2.126 112.395 114.554 -0.054 0.000 3.460 143 T HA 0.627 4.965 4.350 -0.021 0.000 0.304 143 T C 2.026 176.688 174.700 -0.063 0.000 0.991 143 T CA 1.246 63.313 62.100 -0.056 0.000 0.975 143 T CB -0.338 68.495 68.868 -0.059 0.000 1.196 143 T HN 1.246 nan 8.240 nan 0.000 0.490 144 A N 1.074 123.858 122.820 -0.059 0.000 1.933 144 A HA 0.093 4.400 4.320 -0.021 0.000 0.218 144 A C 1.996 179.548 177.584 -0.054 0.000 1.175 144 A CA 1.322 53.328 52.037 -0.052 0.000 0.628 144 A CB -0.624 18.352 19.000 -0.041 0.000 0.814 144 A HN 0.549 nan 8.150 nan 0.000 0.444 145 L N 0.291 121.475 121.223 -0.066 0.000 2.046 145 L HA -0.175 4.152 4.340 -0.021 0.000 0.208 145 L C 1.503 178.313 176.870 -0.100 0.000 1.077 145 L CA 2.545 57.330 54.840 -0.091 0.000 0.747 145 L CB -0.757 41.251 42.059 -0.085 0.000 0.896 145 L HN 0.333 nan 8.230 nan 0.000 0.432 146 D N -0.582 119.769 120.400 -0.081 0.000 2.178 146 D HA -0.211 4.417 4.640 -0.021 0.000 0.201 146 D C 2.309 178.536 176.300 -0.122 0.000 0.980 146 D CA 1.247 55.198 54.000 -0.081 0.000 0.842 146 D CB -0.228 40.540 40.800 -0.054 0.000 0.948 146 D HN 0.387 nan 8.370 nan 0.000 0.472 147 L N 0.218 121.374 121.223 -0.111 0.000 2.027 147 L HA -0.130 4.197 4.340 -0.021 0.000 0.206 147 L C 2.186 178.944 176.870 -0.187 0.000 1.074 147 L CA 1.033 55.796 54.840 -0.128 0.000 0.745 147 L CB -0.194 41.838 42.059 -0.044 0.000 0.898 147 L HN 0.067 nan 8.230 nan 0.000 0.433 148 L N -0.222 120.914 121.223 -0.145 0.000 2.083 148 L HA -0.224 4.103 4.340 -0.021 0.000 0.209 148 L C 2.079 178.802 176.870 -0.246 0.000 1.083 148 L CA 0.966 55.688 54.840 -0.196 0.000 0.752 148 L CB -0.711 41.218 42.059 -0.217 0.000 0.899 148 L HN 0.354 nan 8.230 nan 0.000 0.433 149 N N 0.005 118.572 118.700 -0.222 0.000 2.550 149 N HA -0.056 4.671 4.740 -0.021 0.000 0.186 149 N C 1.511 176.862 175.510 -0.265 0.000 1.110 149 N CA 1.094 54.025 53.050 -0.200 0.000 0.912 149 N CB 0.247 38.656 38.487 -0.129 0.000 0.968 149 N HN 0.323 nan 8.380 nan 0.000 0.448 150 A N -0.495 122.065 122.820 -0.433 0.000 2.085 150 A HA 0.116 4.423 4.320 -0.021 0.000 0.208 150 A C 2.069 179.136 177.584 -0.861 0.000 1.191 150 A CA 0.310 51.825 52.037 -0.869 0.000 0.799 150 A CB 0.055 18.339 19.000 -1.194 0.000 0.877 150 A HN 0.126 nan 8.150 nan 0.000 0.473 151 V N -2.074 117.448 119.914 -0.654 0.000 2.788 151 V HA 0.141 4.249 4.120 -0.021 0.000 0.241 151 V C 1.876 177.487 176.094 -0.805 0.000 1.083 151 V CA 1.181 63.033 62.300 -0.746 0.000 1.103 151 V CB -0.413 30.889 31.823 -0.869 0.000 0.800 151 V HN 0.366 nan 8.190 nan 0.000 0.476 152 F N 0.836 120.475 119.950 -0.517 0.000 2.270 152 F HA 0.212 4.727 4.527 -0.021 0.000 0.295 152 F C -0.224 175.409 175.800 -0.277 0.000 1.087 152 F CA 1.306 59.042 58.000 -0.441 0.000 1.365 152 F CB -1.589 37.103 39.000 -0.512 0.000 1.056 152 F HN 0.292 nan 8.300 nan 0.000 0.506 153 P HA -0.064 nan 4.420 nan 0.000 0.219 153 P C 1.521 178.768 177.300 -0.087 0.000 1.150 153 P CA 1.634 64.691 63.100 -0.072 0.000 0.814 153 P CB -0.064 31.592 31.700 -0.074 0.000 0.787 154 T N -0.220 114.237 114.554 -0.161 0.000 2.812 154 T HA -0.092 4.246 4.350 -0.021 0.000 0.264 154 T C 1.601 176.207 174.700 -0.156 0.000 1.042 154 T CA 0.781 62.792 62.100 -0.148 0.000 1.140 154 T CB -0.839 67.904 68.868 -0.208 0.000 0.870 154 T HN -0.022 nan 8.240 nan 0.000 0.445 155 L N 1.069 122.151 121.223 -0.235 0.000 2.191 155 L HA 0.048 4.375 4.340 -0.021 0.000 0.212 155 L C 1.989 178.819 176.870 -0.067 0.000 1.103 155 L CA 1.199 55.918 54.840 -0.201 0.000 0.769 155 L CB -0.745 41.100 42.059 -0.356 0.000 0.908 155 L HN 0.155 nan 8.230 nan 0.000 0.438 156 L N -0.413 120.783 121.223 -0.045 0.000 2.093 156 L HA -0.178 4.150 4.340 -0.021 0.000 0.208 156 L C 2.492 179.353 176.870 -0.014 0.000 1.085 156 L CA 1.784 56.617 54.840 -0.012 0.000 0.755 156 L CB -0.776 41.291 42.059 0.014 0.000 0.904 156 L HN 0.504 nan 8.230 nan 0.000 0.435 157 E N -1.961 118.234 120.200 -0.007 0.000 2.152 157 E HA -0.283 4.054 4.350 -0.021 0.000 0.192 157 E C 2.197 178.826 176.600 0.050 0.000 0.983 157 E CA 0.939 57.352 56.400 0.022 0.000 0.818 157 E CB -0.256 29.454 29.700 0.016 0.000 0.758 157 E HN 0.572 nan 8.360 nan 0.000 0.467 158 Y N 0.417 120.634 120.300 -0.139 0.000 2.200 158 Y HA -0.204 4.333 4.550 -0.021 0.000 0.290 158 Y C 2.201 178.079 175.900 -0.036 0.000 1.137 158 Y CA 1.647 59.655 58.100 -0.153 0.000 1.163 158 Y CB -0.346 37.974 38.460 -0.233 0.000 0.988 158 Y HN 0.165 nan 8.280 nan 0.000 0.518 159 C N 0.762 120.019 119.300 -0.072 0.000 2.435 159 C HA -0.104 4.344 4.460 -0.021 0.000 0.279 159 C C 2.332 177.268 174.990 -0.089 0.000 1.321 159 C CA 1.178 60.061 59.018 -0.224 0.000 1.752 159 C CB -1.071 26.346 27.740 -0.538 0.000 1.959 159 C HN 0.618 nan 8.230 nan 0.000 0.500 160 N N 0.436 119.105 118.700 -0.052 0.000 2.402 160 N HA 0.004 4.732 4.740 -0.021 0.000 0.174 160 N C 1.658 177.148 175.510 -0.033 0.000 1.027 160 N CA 0.794 53.829 53.050 -0.024 0.000 0.891 160 N CB -0.035 38.446 38.487 -0.010 0.000 1.016 160 N HN 0.513 nan 8.380 nan 0.000 0.439 161 K N -0.093 120.307 120.400 0.001 0.000 2.365 161 K HA 0.140 4.448 4.320 -0.021 0.000 0.195 161 K C 0.619 177.140 176.600 -0.132 0.000 1.079 161 K CA 0.456 56.728 56.287 -0.026 0.000 0.979 161 K CB -0.015 32.507 32.500 0.036 0.000 0.929 161 K HN 0.193 nan 8.250 nan 0.000 0.523 162 H N -0.008 118.911 119.070 -0.252 0.000 2.529 162 H HA 0.229 4.773 4.556 -0.021 0.000 0.277 162 H C -0.395 174.705 175.328 -0.379 0.000 1.004 162 H CA -0.098 55.755 56.048 -0.325 0.000 1.167 162 H CB 0.421 29.930 29.762 -0.422 0.000 1.445 162 H HN -0.238 nan 8.280 nan 0.000 0.554 163 V N -0.674 119.117 119.914 -0.205 0.000 2.808 163 V HA 0.129 4.236 4.120 -0.021 0.000 0.308 163 V C 0.912 176.942 176.094 -0.107 0.000 1.099 163 V CA -0.590 61.639 62.300 -0.118 0.000 0.920 163 V CB 2.326 34.129 31.823 -0.034 0.000 1.014 163 V HN 0.172 nan 8.190 nan 0.000 0.425 164 S N 1.660 117.296 115.700 -0.107 0.000 2.353 164 S HA -0.100 4.357 4.470 -0.021 0.000 0.222 164 S C 0.218 174.456 174.600 -0.603 0.000 1.035 164 S CA 1.724 59.736 58.200 -0.313 0.000 1.025 164 S CB -0.195 62.919 63.200 -0.143 0.000 0.902 164 S HN 0.909 nan 8.310 nan 0.000 0.440 165 H N -1.927 117.172 119.070 0.049 0.000 3.017 165 H HA 0.371 4.915 4.556 -0.021 0.000 0.340 165 H C -1.408 173.987 175.328 0.111 0.000 1.014 165 H CA -0.725 55.363 56.048 0.067 0.000 1.341 165 H CB 0.576 30.355 29.762 0.028 0.000 1.739 165 H HN 0.140 nan 8.280 nan 0.000 0.506 166 F N 4.726 124.742 119.950 0.110 0.000 2.567 166 F HA 0.244 4.758 4.527 -0.021 0.000 0.352 166 F C -0.572 175.279 175.800 0.085 0.000 1.229 166 F CA -0.589 57.476 58.000 0.107 0.000 1.228 166 F CB -0.549 38.509 39.000 0.097 0.000 1.568 166 F HN 0.683 nan 8.300 nan 0.000 0.634 167 D N 2.018 122.276 120.400 -0.237 0.000 2.732 167 D HA 0.165 4.793 4.640 -0.021 0.000 0.292 167 D C 0.600 176.693 176.300 -0.345 0.000 1.135 167 D CA -0.694 53.145 54.000 -0.267 0.000 1.071 167 D CB 0.394 41.127 40.800 -0.111 0.000 1.457 167 D HN 0.125 nan 8.370 nan 0.000 0.547 168 L N 0.364 121.370 121.223 -0.361 0.000 2.263 168 L HA -0.114 4.213 4.340 -0.021 0.000 0.216 168 L C 1.528 178.380 176.870 -0.030 0.000 1.111 168 L CA 1.484 56.114 54.840 -0.350 0.000 0.773 168 L CB -1.108 40.785 42.059 -0.276 0.000 0.906 168 L HN 0.375 nan 8.230 nan 0.000 0.439 169 N N 0.038 118.717 118.700 -0.036 0.000 2.039 169 N HA -0.144 4.584 4.740 -0.021 0.000 0.193 169 N C 0.701 176.260 175.510 0.083 0.000 1.044 169 N CA 0.922 53.983 53.050 0.018 0.000 0.847 169 N CB -0.365 38.116 38.487 -0.010 0.000 1.030 169 N HN 0.316 nan 8.380 nan 0.000 0.422 170 E N 1.856 122.109 120.200 0.090 0.000 2.214 170 E HA -0.040 4.298 4.350 -0.021 0.000 0.291 170 E C 0.961 177.664 176.600 0.172 0.000 1.137 170 E CA -0.061 56.411 56.400 0.120 0.000 1.175 170 E CB -0.197 29.573 29.700 0.117 0.000 1.071 170 E HN 0.192 nan 8.360 nan 0.000 0.467 171 S N 1.510 117.277 115.700 0.113 0.000 2.377 171 S HA -0.208 4.249 4.470 -0.021 0.000 0.224 171 S C 1.932 176.379 174.600 -0.256 0.000 1.042 171 S CA 1.754 59.920 58.200 -0.057 0.000 1.086 171 S CB -0.003 63.184 63.200 -0.022 0.000 0.995 171 S HN 0.352 nan 8.310 nan 0.000 0.428 172 V N 2.046 121.908 119.914 -0.087 0.000 2.282 172 V HA -0.191 3.916 4.120 -0.021 0.000 0.249 172 V C 2.372 178.457 176.094 -0.014 0.000 1.057 172 V CA 2.231 64.497 62.300 -0.058 0.000 1.032 172 V CB -0.709 31.124 31.823 0.017 0.000 0.645 172 V HN 0.547 nan 8.190 nan 0.000 0.447 173 I N -0.323 120.298 120.570 0.085 0.000 2.252 173 I HA -0.265 3.893 4.170 -0.021 0.000 0.245 173 I C 2.517 178.825 176.117 0.318 0.000 1.102 173 I CA 2.164 63.607 61.300 0.238 0.000 1.385 173 I CB -0.486 37.729 38.000 0.359 0.000 1.064 173 I HN 0.572 nan 8.210 nan 0.000 0.414 174 Y N 0.752 121.125 120.300 0.122 0.000 2.314 174 Y HA -0.050 4.487 4.550 -0.021 0.000 0.293 174 Y C 1.962 177.979 175.900 0.197 0.000 1.129 174 Y CA 1.113 59.275 58.100 0.104 0.000 1.201 174 Y CB -1.006 37.263 38.460 -0.318 0.000 0.999 174 Y HN 0.057 nan 8.280 nan 0.000 0.541 175 N N 0.921 119.403 118.700 -0.364 0.000 2.142 175 N HA -0.168 4.560 4.740 -0.021 0.000 0.186 175 N C 1.280 176.826 175.510 0.059 0.000 1.023 175 N CA 1.494 54.431 53.050 -0.188 0.000 0.852 175 N CB -0.241 38.061 38.487 -0.308 0.000 0.998 175 N HN 0.329 nan 8.380 nan 0.000 0.424 176 N N 0.029 118.776 118.700 0.078 0.000 2.188 176 N HA -0.070 4.657 4.740 -0.021 0.000 0.184 176 N C 1.584 177.210 175.510 0.194 0.000 1.018 176 N CA 0.573 53.697 53.050 0.123 0.000 0.858 176 N CB -0.518 38.028 38.487 0.100 0.000 0.989 176 N HN 0.046 nan 8.380 nan 0.000 0.426 177 V N 1.317 121.405 119.914 0.290 0.000 2.407 177 V HA -0.155 3.953 4.120 -0.021 0.000 0.248 177 V C 2.264 178.656 176.094 0.496 0.000 1.055 177 V CA 1.154 63.677 62.300 0.373 0.000 1.049 177 V CB -0.511 31.636 31.823 0.539 0.000 0.662 177 V HN 0.264 nan 8.190 nan 0.000 0.455 178 L N -0.472 121.019 121.223 0.447 0.000 2.083 178 L HA -0.161 4.166 4.340 -0.021 0.000 0.209 178 L C 2.611 179.712 176.870 0.385 0.000 1.083 178 L CA 1.830 56.917 54.840 0.412 0.000 0.752 178 L CB -0.867 41.380 42.059 0.313 0.000 0.899 178 L HN 0.346 nan 8.230 nan 0.000 0.433 179 T N 0.314 115.040 114.554 0.286 0.000 2.777 179 T HA -0.161 4.176 4.350 -0.021 0.000 0.266 179 T C 1.811 176.684 174.700 0.289 0.000 1.040 179 T CA 1.568 63.810 62.100 0.236 0.000 1.141 179 T CB -0.209 68.755 68.868 0.160 0.000 0.868 179 T HN 0.363 nan 8.240 nan 0.000 0.444 180 I N -0.337 120.404 120.570 0.285 0.000 2.614 180 I HA 0.030 4.187 4.170 -0.021 0.000 0.258 180 I C 1.736 178.135 176.117 0.469 0.000 1.189 180 I CA 1.263 62.734 61.300 0.285 0.000 1.462 180 I CB -0.546 37.496 38.000 0.070 0.000 1.092 180 I HN 0.053 nan 8.210 nan 0.000 0.442 181 F N 1.505 121.702 119.950 0.411 0.000 2.163 181 F HA -0.012 4.503 4.527 -0.021 0.000 0.297 181 F C 2.460 178.470 175.800 0.350 0.000 1.094 181 F CA 1.805 60.080 58.000 0.459 0.000 1.290 181 F CB -0.277 38.912 39.000 0.316 0.000 1.017 181 F HN 0.123 nan 8.300 nan 0.000 0.483 182 E N -0.039 120.467 120.200 0.511 0.000 2.047 182 E HA -0.213 4.125 4.350 -0.021 0.000 0.191 182 E C 2.289 179.115 176.600 0.377 0.000 0.987 182 E CA 0.958 57.612 56.400 0.424 0.000 0.799 182 E CB -0.487 29.391 29.700 0.298 0.000 0.752 182 E HN 0.235 nan 8.360 nan 0.000 0.449 183 L N 0.548 121.972 121.223 0.334 0.000 2.081 183 L HA -0.212 4.116 4.340 -0.021 0.000 0.212 183 L C 1.926 178.978 176.870 0.304 0.000 1.080 183 L CA 1.790 56.787 54.840 0.262 0.000 0.754 183 L CB -0.447 41.736 42.059 0.207 0.000 0.893 183 L HN 0.108 nan 8.230 nan 0.000 0.433 184 F N -1.001 119.142 119.950 0.321 0.000 2.118 184 F HA -0.110 4.405 4.527 -0.021 0.000 0.293 184 F C 2.507 178.480 175.800 0.290 0.000 1.102 184 F CA 1.487 59.686 58.000 0.332 0.000 1.247 184 F CB -0.521 38.712 39.000 0.389 0.000 1.017 184 F HN -0.176 nan 8.300 nan 0.000 0.475 185 V N -0.557 119.570 119.914 0.355 0.000 2.867 185 V HA -0.224 3.883 4.120 -0.021 0.000 0.260 185 V C 1.892 178.034 176.094 0.079 0.000 1.099 185 V CA 2.248 64.612 62.300 0.107 0.000 1.122 185 V CB -0.673 31.073 31.823 -0.128 0.000 0.708 185 V HN 0.423 nan 8.190 nan 0.000 0.490 186 T N 0.449 115.091 114.554 0.146 0.000 2.962 186 T HA -0.019 4.319 4.350 -0.021 0.000 0.270 186 T C 0.429 175.059 174.700 -0.117 0.000 1.088 186 T CA 0.642 62.752 62.100 0.016 0.000 1.127 186 T CB -0.400 68.478 68.868 0.016 0.000 0.883 186 T HN 0.404 nan 8.240 nan 0.000 0.493 187 F N 2.040 121.999 119.950 0.016 0.000 2.444 187 F HA 0.308 4.822 4.527 -0.021 0.000 0.360 187 F C 1.339 177.134 175.800 -0.009 0.000 1.106 187 F CA -0.815 57.183 58.000 -0.003 0.000 1.170 187 F CB 0.903 39.894 39.000 -0.015 0.000 1.113 187 F HN -0.148 nan 8.300 nan 0.000 0.521 188 K N 4.330 124.788 120.400 0.096 0.000 2.063 188 K HA -0.120 4.187 4.320 -0.021 0.000 0.208 188 K C -0.925 175.712 176.600 0.061 0.000 1.048 188 K CA 1.415 57.727 56.287 0.041 0.000 0.928 188 K CB -0.672 31.828 32.500 0.001 0.000 0.713 188 K HN 0.340 nan 8.250 nan 0.000 0.442 189 P HA -0.138 nan 4.420 nan 0.000 0.221 189 P C 0.776 178.111 177.300 0.059 0.000 1.145 189 P CA 0.998 64.133 63.100 0.058 0.000 0.795 189 P CB 0.135 31.871 31.700 0.061 0.000 0.775 190 I N -0.810 119.829 120.570 0.115 0.000 2.429 190 I HA -0.013 4.144 4.170 -0.021 0.000 0.247 190 I C 2.247 178.444 176.117 0.134 0.000 1.099 190 I CA 0.766 62.151 61.300 0.143 0.000 1.422 190 I CB -1.198 36.954 38.000 0.253 0.000 1.112 190 I HN -0.189 nan 8.210 nan 0.000 0.430 191 A N 0.555 123.432 122.820 0.094 0.000 1.978 191 A HA -0.251 4.057 4.320 -0.021 0.000 0.220 191 A C 2.120 179.690 177.584 -0.023 0.000 1.170 191 A CA 2.003 54.045 52.037 0.009 0.000 0.636 191 A CB -0.894 18.067 19.000 -0.065 0.000 0.810 191 A HN 0.656 nan 8.150 nan 0.000 0.448 192 E N -1.075 119.111 120.200 -0.023 0.000 2.482 192 E HA 0.087 4.425 4.350 -0.021 0.000 0.196 192 E C 1.339 177.901 176.600 -0.062 0.000 1.047 192 E CA 0.630 56.998 56.400 -0.053 0.000 0.869 192 E CB -0.095 29.579 29.700 -0.043 0.000 0.836 192 E HN 0.624 nan 8.360 nan 0.000 0.520 193 I N -0.440 120.103 120.570 -0.045 0.000 4.327 193 I HA 0.055 4.212 4.170 -0.021 0.000 0.331 193 I C 1.016 177.045 176.117 -0.148 0.000 1.348 193 I CA -0.316 60.932 61.300 -0.086 0.000 1.152 193 I CB 0.188 38.149 38.000 -0.066 0.000 1.151 193 I HN 0.031 nan 8.210 nan 0.000 0.410 194 F N 2.287 122.083 119.950 -0.256 0.000 2.087 194 F HA -0.370 4.145 4.527 -0.021 0.000 0.299 194 F C 2.725 178.189 175.800 -0.561 0.000 1.100 194 F CA 2.603 60.394 58.000 -0.348 0.000 1.226 194 F CB -0.280 38.524 39.000 -0.326 0.000 0.983 194 F HN 0.147 nan 8.300 nan 0.000 0.479 195 T N -2.584 111.575 114.554 -0.657 0.000 3.098 195 T HA -0.116 4.222 4.350 -0.021 0.000 0.266 195 T C 1.623 175.889 174.700 -0.723 0.000 1.145 195 T CA 0.711 61.995 62.100 -1.359 0.000 1.092 195 T CB -0.302 67.839 68.868 -1.212 0.000 0.908 195 T HN 0.107 nan 8.240 nan 0.000 0.526 196 K N 0.662 120.819 120.400 -0.404 0.000 2.426 196 K HA 0.331 4.639 4.320 -0.021 0.000 0.193 196 K C 0.763 177.247 176.600 -0.193 0.000 1.028 196 K CA -0.151 56.012 56.287 -0.207 0.000 1.047 196 K CB -0.120 32.296 32.500 -0.141 0.000 0.821 196 K HN 0.524 nan 8.250 nan 0.000 0.513 197 I N 2.807 123.192 120.570 -0.308 0.000 2.752 197 I HA -0.100 4.058 4.170 -0.021 0.000 0.287 197 I C 0.228 176.274 176.117 -0.118 0.000 1.188 197 I CA 0.052 61.192 61.300 -0.266 0.000 1.427 197 I CB 0.284 38.008 38.000 -0.460 0.000 1.365 197 I HN -0.057 nan 8.210 nan 0.000 0.585 198 D N 5.532 125.884 120.400 -0.079 0.000 2.487 198 D HA 0.136 4.763 4.640 -0.021 0.000 0.243 198 D C 1.049 177.353 176.300 0.007 0.000 1.154 198 D CA 1.108 55.100 54.000 -0.013 0.000 0.876 198 D CB 0.924 41.717 40.800 -0.013 0.000 1.161 198 D HN 0.911 nan 8.370 nan 0.000 0.478 199 G N 2.018 110.854 108.800 0.060 0.000 2.141 199 G HA2 -0.351 3.597 3.960 -0.021 0.000 0.242 199 G HA3 -0.351 3.597 3.960 -0.021 0.000 0.242 199 G C 0.638 175.567 174.900 0.049 0.000 0.982 199 G CA 0.181 45.321 45.100 0.067 0.000 0.662 199 G HN 0.503 nan 8.290 nan 0.000 0.527 200 F N 0.321 120.184 119.950 -0.146 0.000 2.293 200 F HA 0.515 5.030 4.527 -0.021 0.000 0.297 200 F C 1.069 176.687 175.800 -0.304 0.000 1.089 200 F CA 0.386 58.193 58.000 -0.323 0.000 1.377 200 F CB 0.057 38.718 39.000 -0.564 0.000 1.051 200 F HN 0.071 nan 8.300 nan 0.000 0.511 201 F N 0.081 120.174 119.950 0.237 0.000 2.457 201 F HA 0.607 5.122 4.527 -0.021 0.000 0.330 201 F C 0.589 176.466 175.800 0.128 0.000 1.069 201 F CA -1.160 56.959 58.000 0.198 0.000 1.009 201 F CB 0.269 39.379 39.000 0.183 0.000 1.276 201 F HN -0.183 nan 8.300 nan 0.000 0.492 202 A N 0.801 123.820 122.820 0.332 0.000 2.327 202 A HA 0.428 4.736 4.320 -0.021 0.000 0.283 202 A C -0.654 177.075 177.584 0.241 0.000 1.127 202 A CA -0.620 51.585 52.037 0.280 0.000 0.810 202 A CB -0.004 19.204 19.000 0.347 0.000 1.066 202 A HN 0.672 nan 8.150 nan 0.000 0.492 203 D N -0.047 120.491 120.400 0.230 0.000 2.382 203 D HA 0.113 4.740 4.640 -0.021 0.000 0.240 203 D C 0.997 177.435 176.300 0.230 0.000 1.146 203 D CA 0.314 54.436 54.000 0.203 0.000 0.897 203 D CB 0.209 41.113 40.800 0.173 0.000 1.197 203 D HN 0.574 nan 8.370 nan 0.000 0.432 204 Y N 1.444 121.801 120.300 0.095 0.000 2.151 204 Y HA -0.287 4.251 4.550 -0.021 0.000 0.284 204 Y C 1.875 177.852 175.900 0.129 0.000 1.166 204 Y CA 2.122 60.278 58.100 0.094 0.000 1.163 204 Y CB -0.067 38.422 38.460 0.048 0.000 0.974 204 Y HN 0.340 nan 8.280 nan 0.000 0.511 205 S N -0.997 114.798 115.700 0.159 0.000 2.634 205 S HA 0.055 4.512 4.470 -0.021 0.000 0.221 205 S C 0.550 175.165 174.600 0.026 0.000 0.952 205 S CA -0.201 58.023 58.200 0.040 0.000 0.930 205 S CB -1.370 61.940 63.200 0.183 0.000 0.780 205 S HN 0.439 nan 8.310 nan 0.000 0.498 206 C N 2.804 122.156 119.300 0.087 0.000 2.585 206 C HA 0.425 4.873 4.460 -0.021 0.000 0.406 206 C C 0.466 175.428 174.990 -0.046 0.000 1.312 206 C CA -0.618 58.455 59.018 0.093 0.000 1.924 206 C CB -0.805 27.092 27.740 0.262 0.000 2.578 206 C HN 0.559 nan 8.230 nan 0.000 0.580 207 K N 7.706 127.999 120.400 -0.179 0.000 2.249 207 K HA 0.225 4.533 4.320 -0.021 0.000 0.280 207 K C -1.220 174.925 176.600 -0.758 0.000 1.033 207 K CA -1.151 54.934 56.287 -0.338 0.000 0.946 207 K CB 1.047 33.414 32.500 -0.223 0.000 1.005 207 K HN 0.557 nan 8.250 nan 0.000 0.469 208 P HA -0.277 nan 4.420 nan 0.000 0.218 208 P C 0.288 177.032 177.300 -0.927 0.000 1.152 208 P CA 1.675 63.854 63.100 -1.535 0.000 0.857 208 P CB 0.236 31.546 31.700 -0.650 0.000 0.787 209 Q N -0.708 118.797 119.800 -0.491 0.000 2.436 209 Q HA -0.059 4.268 4.340 -0.021 0.000 0.209 209 Q C 1.428 177.267 176.000 -0.268 0.000 0.965 209 Q CA 1.052 56.683 55.803 -0.287 0.000 0.910 209 Q CB -0.736 27.899 28.738 -0.170 0.000 0.980 209 Q HN 0.302 nan 8.270 nan 0.000 0.491 210 D N -0.563 119.645 120.400 -0.320 0.000 2.360 210 D HA 0.098 4.726 4.640 -0.021 0.000 0.210 210 D C 0.876 177.141 176.300 -0.059 0.000 1.047 210 D CA 0.013 53.912 54.000 -0.168 0.000 0.854 210 D CB -0.011 40.723 40.800 -0.110 0.000 0.936 210 D HN 0.278 nan 8.370 nan 0.000 0.514 211 F N 2.040 121.909 119.950 -0.135 0.000 2.154 211 F HA -0.180 4.334 4.527 -0.021 0.000 0.301 211 F C 2.302 177.954 175.800 -0.246 0.000 1.087 211 F CA 0.784 58.714 58.000 -0.117 0.000 1.274 211 F CB 0.046 39.013 39.000 -0.055 0.000 1.009 211 F HN 0.052 nan 8.300 nan 0.000 0.485 212 E N 0.725 120.712 120.200 -0.355 0.000 2.489 212 E HA -0.022 4.315 4.350 -0.021 0.000 0.193 212 E C 1.401 177.907 176.600 -0.158 0.000 1.057 212 E CA 0.134 56.220 56.400 -0.524 0.000 0.866 212 E CB -0.028 29.083 29.700 -0.982 0.000 0.916 212 E HN 0.506 nan 8.360 nan 0.000 0.500 213 R N 0.521 120.977 120.500 -0.075 0.000 2.276 213 R HA 0.205 4.533 4.340 -0.021 0.000 0.195 213 R C 1.395 177.706 176.300 0.019 0.000 0.908 213 R CA 0.170 56.258 56.100 -0.020 0.000 1.083 213 R CB 0.373 30.654 30.300 -0.030 0.000 1.182 213 R HN -0.036 nan 8.270 nan 0.000 0.608 214 K N 0.463 120.892 120.400 0.048 0.000 2.399 214 K HA 0.177 4.485 4.320 -0.021 0.000 0.204 214 K C 0.047 176.705 176.600 0.098 0.000 1.023 214 K CA 0.088 56.419 56.287 0.072 0.000 1.127 214 K CB 1.443 33.992 32.500 0.083 0.000 0.856 214 K HN -0.129 nan 8.250 nan 0.000 0.514 215 T N 0.102 114.720 114.554 0.107 0.000 2.918 215 T HA 0.277 4.615 4.350 -0.021 0.000 0.286 215 T C 1.109 175.836 174.700 0.044 0.000 1.026 215 T CA -0.642 61.513 62.100 0.093 0.000 1.031 215 T CB 1.062 70.053 68.868 0.204 0.000 1.046 215 T HN -0.104 nan 8.240 nan 0.000 0.479 216 I N 3.402 123.947 120.570 -0.041 0.000 2.208 216 I HA -0.077 4.080 4.170 -0.021 0.000 0.245 216 I C 1.810 178.032 176.117 0.174 0.000 1.097 216 I CA 1.259 62.604 61.300 0.074 0.000 1.363 216 I CB -0.120 37.938 38.000 0.096 0.000 1.051 216 I HN 0.493 nan 8.210 nan 0.000 0.413 217 L N 0.254 121.457 121.223 -0.032 0.000 2.599 217 L HA 0.140 4.468 4.340 -0.021 0.000 0.230 217 L C 2.212 179.186 176.870 0.173 0.000 1.141 217 L CA 0.837 55.680 54.840 0.004 0.000 0.877 217 L CB -1.673 40.235 42.059 -0.251 0.000 1.009 217 L HN 0.227 nan 8.230 nan 0.000 0.447 218 G N 0.884 109.806 108.800 0.204 0.000 2.739 218 G HA2 -0.268 3.679 3.960 -0.021 0.000 0.216 218 G HA3 -0.268 3.679 3.960 -0.021 0.000 0.216 218 G C -0.481 174.534 174.900 0.192 0.000 1.298 218 G CA 0.887 46.111 45.100 0.206 0.000 0.804 218 G HN 0.272 nan 8.290 nan 0.000 0.623 219 P HA -0.174 nan 4.420 nan 0.000 0.217 219 P C 2.168 179.717 177.300 0.414 0.000 1.162 219 P CA 2.021 65.263 63.100 0.236 0.000 0.901 219 P CB -0.290 31.398 31.700 -0.019 0.000 0.793 220 I N -4.326 116.440 120.570 0.326 0.000 2.439 220 I HA -0.128 4.030 4.170 -0.021 0.000 0.251 220 I C 1.945 178.184 176.117 0.203 0.000 1.139 220 I CA 1.505 62.982 61.300 0.295 0.000 1.438 220 I CB -1.001 37.033 38.000 0.058 0.000 1.085 220 I HN -0.142 nan 8.210 nan 0.000 0.427 221 L N 1.591 122.963 121.223 0.249 0.000 2.376 221 L HA -0.077 4.251 4.340 -0.021 0.000 0.219 221 L C 2.616 179.719 176.870 0.388 0.000 1.133 221 L CA 1.237 56.262 54.840 0.309 0.000 0.816 221 L CB -0.363 41.969 42.059 0.454 0.000 0.933 221 L HN 0.513 nan 8.230 nan 0.000 0.449 222 S N -1.200 114.718 115.700 0.363 0.000 2.528 222 S HA 0.040 4.497 4.470 -0.021 0.000 0.219 222 S C 0.828 175.474 174.600 0.076 0.000 0.985 222 S CA -0.338 58.019 58.200 0.261 0.000 0.914 222 S CB -0.188 63.108 63.200 0.160 0.000 0.776 222 S HN 0.078 nan 8.310 nan 0.000 0.526 223 L N 3.487 124.726 121.223 0.027 0.000 2.774 223 L HA 0.406 4.734 4.340 -0.021 0.000 0.279 223 L C 0.376 177.131 176.870 -0.191 0.000 1.137 223 L CA 0.396 55.135 54.840 -0.168 0.000 1.021 223 L CB -0.891 41.035 42.059 -0.223 0.000 1.366 223 L HN 0.449 nan 8.230 nan 0.000 0.471 224 S N 5.021 120.558 115.700 -0.273 0.000 2.596 224 S HA 0.683 5.141 4.470 -0.021 0.000 0.270 224 S C -2.304 172.043 174.600 -0.421 0.000 1.155 224 S CA -0.900 57.031 58.200 -0.449 0.000 0.827 224 S CB 2.130 65.096 63.200 -0.391 0.000 1.130 224 S HN 0.350 nan 8.310 nan 0.000 0.467 225 P HA 0.200 nan 4.420 nan 0.000 0.249 225 P C 0.744 177.947 177.300 -0.161 0.000 1.229 225 P CA 0.350 63.297 63.100 -0.254 0.000 0.788 225 P CB -0.466 31.126 31.700 -0.180 0.000 1.072 226 I N -2.574 117.839 120.570 -0.261 0.000 3.626 226 I HA 0.478 4.636 4.170 -0.021 0.000 0.345 226 I C -0.255 175.784 176.117 -0.131 0.000 1.502 226 I CA -0.840 60.357 61.300 -0.172 0.000 1.135 226 I CB -0.210 37.633 38.000 -0.262 0.000 1.456 226 I HN -0.297 nan 8.210 nan 0.000 0.460 227 E N 1.612 121.748 120.200 -0.105 0.000 2.156 227 E HA 0.595 4.932 4.350 -0.021 0.000 0.279 227 E C 1.090 177.665 176.600 -0.041 0.000 0.965 227 E CA 0.023 56.375 56.400 -0.080 0.000 0.789 227 E CB 2.019 31.664 29.700 -0.091 0.000 1.098 227 E HN 0.364 nan 8.360 nan 0.000 0.397 228 A N 4.801 127.606 122.820 -0.025 0.000 1.915 228 A HA -0.303 4.004 4.320 -0.021 0.000 0.220 228 A C 2.123 179.698 177.584 -0.015 0.000 1.198 228 A CA 2.659 54.696 52.037 -0.000 0.000 0.647 228 A CB -1.228 17.773 19.000 0.003 0.000 0.825 228 A HN 0.797 nan 8.150 nan 0.000 0.456 229 A N -1.047 121.735 122.820 -0.063 0.000 1.940 229 A HA -0.009 4.298 4.320 -0.021 0.000 0.219 229 A C 2.218 179.756 177.584 -0.077 0.000 1.176 229 A CA 1.937 53.904 52.037 -0.116 0.000 0.631 229 A CB -0.855 17.996 19.000 -0.248 0.000 0.814 229 A HN 0.516 nan 8.150 nan 0.000 0.446 230 V N -0.533 119.348 119.914 -0.055 0.000 2.548 230 V HA -0.146 3.962 4.120 -0.021 0.000 0.249 230 V C 2.951 179.072 176.094 0.046 0.000 1.055 230 V CA 1.646 63.927 62.300 -0.032 0.000 1.065 230 V CB -1.014 30.775 31.823 -0.056 0.000 0.681 230 V HN 0.611 nan 8.190 nan 0.000 0.462 231 A N 1.088 123.965 122.820 0.096 0.000 1.872 231 A HA -0.130 4.178 4.320 -0.021 0.000 0.214 231 A C 2.172 179.890 177.584 0.224 0.000 1.187 231 A CA 1.786 53.969 52.037 0.244 0.000 0.614 231 A CB -0.501 18.601 19.000 0.169 0.000 0.826 231 A HN 0.636 nan 8.150 nan 0.000 0.442 232 I N -2.098 118.535 120.570 0.105 0.000 2.127 232 I HA -0.240 3.918 4.170 -0.021 0.000 0.241 232 I C 2.399 178.545 176.117 0.048 0.000 1.075 232 I CA 2.339 63.685 61.300 0.077 0.000 1.334 232 I CB -0.546 37.469 38.000 0.025 0.000 1.040 232 I HN 0.218 nan 8.210 nan 0.000 0.405 233 R N 1.841 122.346 120.500 0.007 0.000 2.091 233 R HA -0.173 4.154 4.340 -0.021 0.000 0.238 233 R C 1.753 178.017 176.300 -0.059 0.000 1.136 233 R CA 2.532 58.616 56.100 -0.027 0.000 0.959 233 R CB -0.677 29.597 30.300 -0.043 0.000 0.856 233 R HN 0.553 nan 8.270 nan 0.000 0.437 234 N N -2.036 116.614 118.700 -0.083 0.000 2.395 234 N HA 0.018 4.746 4.740 -0.021 0.000 0.175 234 N C 0.543 175.803 175.510 -0.416 0.000 1.029 234 N CA 1.101 53.986 53.050 -0.276 0.000 0.897 234 N CB 0.193 38.439 38.487 -0.402 0.000 0.991 234 N HN 0.282 nan 8.380 nan 0.000 0.441 235 Y N -1.580 118.692 120.300 -0.047 0.000 2.652 235 Y HA 0.366 4.904 4.550 -0.020 0.000 0.275 235 Y C 2.288 178.159 175.900 -0.048 0.000 1.133 235 Y CA -0.056 57.988 58.100 -0.093 0.000 1.246 235 Y CB -0.371 38.071 38.460 -0.030 0.000 1.334 235 Y HN -0.046 nan 8.280 nan 0.000 0.493 236 G N 0.108 109.012 108.800 0.174 0.000 2.501 236 G HA2 -0.288 3.660 3.960 -0.021 0.000 0.220 236 G HA3 -0.288 3.660 3.960 -0.021 0.000 0.220 236 G C 1.161 176.092 174.900 0.052 0.000 1.114 236 G CA 1.315 46.482 45.100 0.112 0.000 0.757 236 G HN 0.302 nan 8.290 nan 0.000 0.559 237 D N 0.507 120.918 120.400 0.018 0.000 2.127 237 D HA -0.134 4.493 4.640 -0.021 0.000 0.190 237 D C 1.006 177.297 176.300 -0.015 0.000 1.000 237 D CA 1.004 54.994 54.000 -0.016 0.000 0.839 237 D CB -0.072 40.695 40.800 -0.056 0.000 0.955 237 D HN 0.479 nan 8.370 nan 0.000 0.446 238 N N -0.913 117.771 118.700 -0.025 0.000 2.732 238 N HA 0.072 4.800 4.740 -0.021 0.000 0.247 238 N C 0.109 175.601 175.510 -0.030 0.000 1.305 238 N CA -0.219 52.816 53.050 -0.025 0.000 0.762 238 N CB 0.272 38.731 38.487 -0.047 0.000 1.361 238 N HN -0.043 nan 8.380 nan 0.000 0.545 239 L N 2.249 123.491 121.223 0.033 0.000 2.551 239 L HA 0.055 4.383 4.340 -0.021 0.000 0.228 239 L C 1.303 178.237 176.870 0.106 0.000 1.153 239 L CA 0.735 55.638 54.840 0.105 0.000 0.851 239 L CB 0.033 42.217 42.059 0.208 0.000 0.959 239 L HN 0.607 nan 8.230 nan 0.000 0.451 240 L N 0.164 121.414 121.223 0.044 0.000 2.685 240 L HA 0.150 4.477 4.340 -0.021 0.000 0.233 240 L C 0.999 177.875 176.870 0.009 0.000 1.173 240 L CA -0.266 54.600 54.840 0.043 0.000 0.961 240 L CB -0.390 41.687 42.059 0.031 0.000 1.217 240 L HN 0.308 nan 8.230 nan 0.000 0.478 241 R N -0.043 120.436 120.500 -0.035 0.000 2.637 241 R HA 0.366 4.693 4.340 -0.021 0.000 0.269 241 R C 0.469 176.746 176.300 -0.038 0.000 1.089 241 R CA -0.450 55.617 56.100 -0.056 0.000 1.177 241 R CB 0.234 30.471 30.300 -0.106 0.000 1.091 241 R HN 0.057 nan 8.270 nan 0.000 0.540 242 S N 0.410 116.092 115.700 -0.031 0.000 2.589 242 S HA 0.057 4.514 4.470 -0.021 0.000 0.265 242 S C 0.701 175.292 174.600 -0.014 0.000 1.342 242 S CA -0.721 57.474 58.200 -0.010 0.000 1.005 242 S CB 0.971 64.165 63.200 -0.010 0.000 0.909 242 S HN 0.685 nan 8.310 nan 0.000 0.555 243 K N 0.538 120.950 120.400 0.020 0.000 2.209 243 K HA -0.192 4.116 4.320 -0.021 0.000 0.204 243 K C 2.266 178.872 176.600 0.011 0.000 1.048 243 K CA 1.421 57.730 56.287 0.038 0.000 0.940 243 K CB -0.265 32.272 32.500 0.061 0.000 0.729 243 K HN 0.794 nan 8.250 nan 0.000 0.451 244 Q N 1.550 121.350 119.800 -0.000 0.000 2.046 244 Q HA -0.192 4.135 4.340 -0.021 0.000 0.200 244 Q C 1.967 177.948 176.000 -0.031 0.000 0.975 244 Q CA 1.446 57.245 55.803 -0.006 0.000 0.836 244 Q CB 0.116 28.851 28.738 -0.005 0.000 0.896 244 Q HN 0.385 nan 8.270 nan 0.000 0.428 245 Q N -0.537 119.232 119.800 -0.053 0.000 2.123 245 Q HA -0.082 4.246 4.340 -0.021 0.000 0.199 245 Q C 2.018 177.937 176.000 -0.135 0.000 0.966 245 Q CA 1.710 57.464 55.803 -0.083 0.000 0.845 245 Q CB 0.091 28.778 28.738 -0.084 0.000 0.907 245 Q HN 0.362 nan 8.270 nan 0.000 0.439 246 T N 1.021 115.475 114.554 -0.167 0.000 2.833 246 T HA -0.115 4.222 4.350 -0.021 0.000 0.269 246 T C 1.895 176.389 174.700 -0.343 0.000 1.054 246 T CA 1.119 63.041 62.100 -0.296 0.000 1.135 246 T CB -0.177 68.514 68.868 -0.295 0.000 0.869 246 T HN 0.379 nan 8.240 nan 0.000 0.466 247 A N 1.372 124.112 122.820 -0.133 0.000 2.015 247 A HA -0.000 4.307 4.320 -0.021 0.000 0.219 247 A C 2.225 179.817 177.584 0.014 0.000 1.163 247 A CA 1.024 53.066 52.037 0.009 0.000 0.646 247 A CB -0.438 18.599 19.000 0.062 0.000 0.806 247 A HN 0.284 nan 8.150 nan 0.000 0.448 248 M N -0.381 119.192 119.600 -0.047 0.000 2.156 248 M HA -0.019 4.449 4.480 -0.021 0.000 0.264 248 M C 2.253 178.522 176.300 -0.052 0.000 1.067 248 M CA 1.362 56.639 55.300 -0.038 0.000 1.131 248 M CB -1.190 31.377 32.600 -0.056 0.000 1.368 248 M HN 0.690 nan 8.290 nan 0.000 0.416 249 I N -1.124 119.371 120.570 -0.124 0.000 2.439 249 I HA -0.257 3.900 4.170 -0.021 0.000 0.251 249 I C 2.171 178.287 176.117 -0.002 0.000 1.139 249 I CA 1.461 62.663 61.300 -0.164 0.000 1.438 249 I CB -0.326 37.431 38.000 -0.405 0.000 1.085 249 I HN 0.293 nan 8.210 nan 0.000 0.427 250 H N 0.897 119.995 119.070 0.046 0.000 2.352 250 H HA -0.161 4.383 4.556 -0.021 0.000 0.299 250 H C 2.073 177.412 175.328 0.020 0.000 1.097 250 H CA 1.743 57.864 56.048 0.121 0.000 1.311 250 H CB 0.094 29.950 29.762 0.157 0.000 1.377 250 H HN 0.491 nan 8.280 nan 0.000 0.504 251 E N 0.314 120.593 120.200 0.131 0.000 2.051 251 E HA -0.139 4.198 4.350 -0.021 0.000 0.192 251 E C 2.452 179.054 176.600 0.004 0.000 0.991 251 E CA 1.264 57.686 56.400 0.037 0.000 0.799 251 E CB 0.058 29.777 29.700 0.031 0.000 0.748 251 E HN 0.339 nan 8.360 nan 0.000 0.449 252 S N 0.971 116.673 115.700 0.005 0.000 2.356 252 S HA -0.137 4.321 4.470 -0.021 0.000 0.223 252 S C 1.861 176.464 174.600 0.006 0.000 1.032 252 S CA 0.755 58.952 58.200 -0.006 0.000 1.005 252 S CB -0.143 63.039 63.200 -0.030 0.000 0.867 252 S HN 0.093 nan 8.310 nan 0.000 0.449 253 L N 1.855 123.088 121.223 0.017 0.000 2.141 253 L HA -0.044 4.283 4.340 -0.021 0.000 0.209 253 L C 2.444 179.339 176.870 0.041 0.000 1.094 253 L CA 1.541 56.403 54.840 0.038 0.000 0.763 253 L CB -1.346 40.765 42.059 0.087 0.000 0.908 253 L HN 0.366 nan 8.230 nan 0.000 0.437 254 Q N -1.196 118.570 119.800 -0.057 0.000 2.046 254 Q HA -0.110 4.218 4.340 -0.021 0.000 0.200 254 Q C 2.361 178.309 176.000 -0.086 0.000 0.975 254 Q CA 1.483 57.109 55.803 -0.295 0.000 0.836 254 Q CB -0.307 27.933 28.738 -0.830 0.000 0.896 254 Q HN 0.505 nan 8.270 nan 0.000 0.428 255 A N 1.489 124.286 122.820 -0.038 0.000 1.917 255 A HA -0.302 4.005 4.320 -0.021 0.000 0.219 255 A C 1.956 179.591 177.584 0.085 0.000 1.182 255 A CA 1.907 53.965 52.037 0.035 0.000 0.633 255 A CB -0.608 18.407 19.000 0.025 0.000 0.819 255 A HN 0.466 nan 8.150 nan 0.000 0.448 256 E N -1.528 118.728 120.200 0.092 0.000 2.152 256 E HA -0.225 4.112 4.350 -0.021 0.000 0.192 256 E C 1.867 178.585 176.600 0.196 0.000 0.983 256 E CA 0.985 57.465 56.400 0.134 0.000 0.818 256 E CB -0.278 29.492 29.700 0.116 0.000 0.758 256 E HN 0.883 nan 8.360 nan 0.000 0.467 257 H N -0.313 118.800 119.070 0.072 0.000 2.395 257 H HA -0.035 4.509 4.556 -0.021 0.000 0.299 257 H C 2.163 177.569 175.328 0.130 0.000 1.070 257 H CA 0.630 56.732 56.048 0.091 0.000 1.356 257 H CB 0.356 30.196 29.762 0.129 0.000 1.401 257 H HN -0.062 nan 8.280 nan 0.000 0.524 258 K N 0.729 121.252 120.400 0.204 0.000 2.020 258 K HA -0.129 4.179 4.320 -0.021 0.000 0.212 258 K C 2.169 178.813 176.600 0.073 0.000 1.050 258 K CA 1.397 57.750 56.287 0.111 0.000 0.929 258 K CB -0.540 32.050 32.500 0.150 0.000 0.714 258 K HN 0.184 nan 8.250 nan 0.000 0.443 259 V N 0.977 120.953 119.914 0.105 0.000 2.332 259 V HA -0.237 3.870 4.120 -0.021 0.000 0.248 259 V C 2.550 178.719 176.094 0.124 0.000 1.055 259 V CA 1.571 63.931 62.300 0.100 0.000 1.038 259 V CB -0.369 31.519 31.823 0.109 0.000 0.651 259 V HN 0.067 nan 8.190 nan 0.000 0.450 260 V N 0.833 120.847 119.914 0.166 0.000 2.332 260 V HA -0.269 3.839 4.120 -0.021 0.000 0.248 260 V C 2.225 178.396 176.094 0.130 0.000 1.055 260 V CA 2.556 64.962 62.300 0.177 0.000 1.038 260 V CB -0.570 31.368 31.823 0.192 0.000 0.651 260 V HN 0.715 nan 8.190 nan 0.000 0.450 261 I N -2.172 118.441 120.570 0.072 0.000 2.617 261 I HA -0.078 4.080 4.170 -0.021 0.000 0.256 261 I C 1.972 178.134 176.117 0.075 0.000 1.167 261 I CA 1.507 62.828 61.300 0.035 0.000 1.469 261 I CB -0.585 37.364 38.000 -0.085 0.000 1.098 261 I HN 0.161 nan 8.210 nan 0.000 0.436 262 D N 2.058 122.497 120.400 0.064 0.000 2.097 262 D HA -0.131 4.496 4.640 -0.021 0.000 0.195 262 D C 2.379 178.788 176.300 0.182 0.000 0.989 262 D CA 1.405 55.461 54.000 0.094 0.000 0.827 262 D CB -0.196 40.633 40.800 0.048 0.000 0.966 262 D HN 0.456 nan 8.370 nan 0.000 0.456 263 R N -0.155 120.434 120.500 0.149 0.000 2.092 263 R HA -0.040 4.287 4.340 -0.021 0.000 0.231 263 R C 2.131 178.555 176.300 0.207 0.000 1.119 263 R CA 0.342 56.545 56.100 0.173 0.000 0.970 263 R CB -0.224 30.160 30.300 0.140 0.000 0.864 263 R HN 0.110 nan 8.270 nan 0.000 0.440 264 L N 0.011 121.329 121.223 0.159 0.000 2.046 264 L HA -0.139 4.188 4.340 -0.021 0.000 0.208 264 L C 2.047 178.993 176.870 0.128 0.000 1.077 264 L CA 1.521 56.429 54.840 0.113 0.000 0.747 264 L CB -0.799 41.321 42.059 0.103 0.000 0.896 264 L HN 0.050 nan 8.230 nan 0.000 0.432 265 F N -0.691 119.271 119.950 0.020 0.000 2.102 265 F HA -0.312 4.203 4.527 -0.021 0.000 0.298 265 F C 2.491 178.282 175.800 -0.015 0.000 1.105 265 F CA 1.461 59.427 58.000 -0.056 0.000 1.239 265 F CB -0.663 38.251 39.000 -0.144 0.000 0.991 265 F HN 0.131 nan 8.300 nan 0.000 0.474 266 F N 0.999 120.921 119.950 -0.046 0.000 2.091 266 F HA -0.263 4.251 4.527 -0.021 0.000 0.299 266 F C 2.114 177.821 175.800 -0.156 0.000 1.103 266 F CA 2.161 60.096 58.000 -0.108 0.000 1.228 266 F CB -0.683 38.324 39.000 0.011 0.000 0.984 266 F HN 0.014 nan 8.300 nan 0.000 0.477 267 I N -0.747 119.800 120.570 -0.039 0.000 2.286 267 I HA -0.273 3.884 4.170 -0.021 0.000 0.248 267 I C 2.137 178.100 176.117 -0.256 0.000 1.115 267 I CA 1.107 62.314 61.300 -0.155 0.000 1.392 267 I CB -0.571 37.386 38.000 -0.071 0.000 1.065 267 I HN 0.010 nan 8.210 nan 0.000 0.418 268 V N 0.498 120.309 119.914 -0.172 0.000 2.591 268 V HA -0.236 3.872 4.120 -0.021 0.000 0.249 268 V C 2.094 178.162 176.094 -0.043 0.000 1.053 268 V CA 1.918 64.188 62.300 -0.050 0.000 1.068 268 V CB -0.572 31.372 31.823 0.201 0.000 0.689 268 V HN 0.426 nan 8.190 nan 0.000 0.462 269 D N 0.505 120.727 120.400 -0.296 0.000 2.097 269 D HA -0.211 4.417 4.640 -0.021 0.000 0.195 269 D C 2.101 178.230 176.300 -0.286 0.000 0.989 269 D CA 1.360 55.159 54.000 -0.336 0.000 0.827 269 D CB -0.004 40.300 40.800 -0.826 0.000 0.966 269 D HN 0.165 nan 8.370 nan 0.000 0.456 270 K N -0.294 119.847 120.400 -0.431 0.000 2.103 270 K HA 0.003 4.310 4.320 -0.021 0.000 0.207 270 K C 2.044 178.486 176.600 -0.264 0.000 1.048 270 K CA 0.716 56.776 56.287 -0.378 0.000 0.930 270 K CB -0.258 31.958 32.500 -0.473 0.000 0.716 270 K HN 0.272 nan 8.250 nan 0.000 0.444 271 L N -0.547 120.520 121.223 -0.259 0.000 2.156 271 L HA -0.083 4.245 4.340 -0.021 0.000 0.208 271 L C 1.934 178.674 176.870 -0.218 0.000 1.095 271 L CA 0.511 55.215 54.840 -0.227 0.000 0.770 271 L CB -0.249 41.669 42.059 -0.234 0.000 0.914 271 L HN -0.063 nan 8.230 nan 0.000 0.439 272 V N -0.178 119.600 119.914 -0.226 0.000 2.719 272 V HA -0.125 3.982 4.120 -0.021 0.000 0.252 272 V C 2.319 178.233 176.094 -0.301 0.000 1.065 272 V CA 1.336 63.437 62.300 -0.330 0.000 1.086 272 V CB -0.433 31.147 31.823 -0.405 0.000 0.700 272 V HN 0.394 nan 8.190 nan 0.000 0.467 273 R N -0.014 120.363 120.500 -0.206 0.000 2.297 273 R HA 0.108 4.436 4.340 -0.021 0.000 0.197 273 R C 2.281 178.495 176.300 -0.143 0.000 0.943 273 R CA 0.639 56.641 56.100 -0.162 0.000 1.038 273 R CB -0.276 29.946 30.300 -0.131 0.000 0.957 273 R HN 0.548 nan 8.270 nan 0.000 0.484 274 G N 0.766 109.475 108.800 -0.153 0.000 2.480 274 G HA2 -0.243 3.704 3.960 -0.021 0.000 0.216 274 G HA3 -0.243 3.704 3.960 -0.021 0.000 0.216 274 G C 0.582 175.422 174.900 -0.100 0.000 1.200 274 G CA 1.187 46.218 45.100 -0.116 0.000 0.782 274 G HN 0.448 nan 8.290 nan 0.000 0.554 275 S N -2.345 113.284 115.700 -0.119 0.000 2.661 275 S HA 0.406 4.864 4.470 -0.021 0.000 0.268 275 S C 0.309 174.839 174.600 -0.117 0.000 1.162 275 S CA -0.095 58.047 58.200 -0.096 0.000 0.817 275 S CB 1.026 64.181 63.200 -0.074 0.000 1.141 275 S HN 0.406 nan 8.310 nan 0.000 0.477 276 L N 1.362 122.537 121.223 -0.081 0.000 2.179 276 L HA 0.337 4.665 4.340 -0.021 0.000 0.208 276 L C 1.727 178.568 176.870 -0.049 0.000 1.096 276 L CA 1.845 56.643 54.840 -0.070 0.000 0.779 276 L CB -1.474 40.569 42.059 -0.027 0.000 0.922 276 L HN 0.772 nan 8.230 nan 0.000 0.443 277 N N -1.012 117.664 118.700 -0.041 0.000 2.142 277 N HA -0.170 4.557 4.740 -0.021 0.000 0.186 277 N C 2.054 177.538 175.510 -0.043 0.000 1.023 277 N CA 1.405 54.441 53.050 -0.022 0.000 0.852 277 N CB -0.238 38.233 38.487 -0.025 0.000 0.998 277 N HN 0.420 nan 8.380 nan 0.000 0.424 278 S N 0.776 116.420 115.700 -0.093 0.000 2.343 278 S HA -0.166 4.292 4.470 -0.021 0.000 0.219 278 S C 1.918 176.433 174.600 -0.142 0.000 1.033 278 S CA 1.426 59.542 58.200 -0.139 0.000 1.014 278 S CB -0.215 62.887 63.200 -0.163 0.000 0.915 278 S HN 0.464 nan 8.310 nan 0.000 0.435 279 R N -0.035 120.344 120.500 -0.202 0.000 2.127 279 R HA -0.052 4.275 4.340 -0.021 0.000 0.238 279 R C 2.004 178.278 176.300 -0.042 0.000 1.134 279 R CA 1.887 57.822 56.100 -0.275 0.000 0.975 279 R CB -1.375 28.485 30.300 -0.733 0.000 0.865 279 R HN 0.311 nan 8.270 nan 0.000 0.447 280 T N 1.219 115.772 114.554 -0.003 0.000 2.821 280 T HA -0.085 4.253 4.350 -0.021 0.000 0.267 280 T C 0.891 175.638 174.700 0.079 0.000 1.046 280 T CA 1.696 63.842 62.100 0.076 0.000 1.139 280 T CB -0.254 68.689 68.868 0.125 0.000 0.871 280 T HN 0.326 nan 8.240 nan 0.000 0.454 281 D N 0.561 121.027 120.400 0.110 0.000 2.178 281 D HA 0.025 4.653 4.640 -0.021 0.000 0.202 281 D C 1.860 178.323 176.300 0.272 0.000 0.974 281 D CA 0.546 54.710 54.000 0.273 0.000 0.841 281 D CB -0.291 40.659 40.800 0.251 0.000 0.953 281 D HN 0.133 nan 8.370 nan 0.000 0.478 282 M N 0.141 119.795 119.600 0.089 0.000 2.213 282 M HA -0.076 4.392 4.480 -0.021 0.000 0.263 282 M C 1.497 177.827 176.300 0.049 0.000 1.062 282 M CA 0.882 56.197 55.300 0.026 0.000 1.105 282 M CB -0.059 32.529 32.600 -0.020 0.000 1.385 282 M HN -0.023 nan 8.290 nan 0.000 0.417 283 I N -1.284 119.309 120.570 0.039 0.000 2.353 283 I HA -0.165 3.993 4.170 -0.021 0.000 0.248 283 I C 2.111 178.166 176.117 -0.103 0.000 1.119 283 I CA 0.961 62.193 61.300 -0.113 0.000 1.417 283 I CB -1.354 36.339 38.000 -0.511 0.000 1.078 283 I HN 0.206 nan 8.210 nan 0.000 0.421 284 S N 0.342 116.040 115.700 -0.004 0.000 2.368 284 S HA -0.222 4.236 4.470 -0.021 0.000 0.225 284 S C 2.003 176.775 174.600 0.287 0.000 1.030 284 S CA 1.127 59.457 58.200 0.216 0.000 0.999 284 S CB -0.528 62.815 63.200 0.238 0.000 0.844 284 S HN 0.439 nan 8.310 nan 0.000 0.459 285 Y N 1.506 121.955 120.300 0.248 0.000 2.097 285 Y HA -0.185 4.352 4.550 -0.021 0.000 0.282 285 Y C 1.761 177.673 175.900 0.021 0.000 1.152 285 Y CA 1.519 59.699 58.100 0.134 0.000 1.136 285 Y CB -0.491 37.893 38.460 -0.127 0.000 0.975 285 Y HN 0.189 nan 8.280 nan 0.000 0.498 286 F N -0.209 119.819 119.950 0.131 0.000 2.259 286 F HA 0.010 4.524 4.527 -0.021 0.000 0.298 286 F C 2.534 178.430 175.800 0.160 0.000 1.088 286 F CA 0.733 58.759 58.000 0.043 0.000 1.358 286 F CB -1.372 37.628 39.000 -0.001 0.000 1.040 286 F HN 0.162 nan 8.300 nan 0.000 0.505 287 A N -0.790 122.224 122.820 0.323 0.000 1.902 287 A HA -0.239 4.069 4.320 -0.021 0.000 0.217 287 A C 2.271 179.989 177.584 0.224 0.000 1.181 287 A CA 1.828 54.046 52.037 0.301 0.000 0.623 287 A CB -1.280 17.917 19.000 0.328 0.000 0.818 287 A HN 0.503 nan 8.150 nan 0.000 0.443 288 H N -0.511 118.575 119.070 0.025 0.000 2.353 288 H HA -0.109 4.434 4.556 -0.021 0.000 0.300 288 H C 1.922 177.142 175.328 -0.180 0.000 1.090 288 H CA 1.548 57.534 56.048 -0.103 0.000 1.327 288 H CB 0.007 29.640 29.762 -0.216 0.000 1.383 288 H HN 0.341 nan 8.280 nan 0.000 0.508 289 I N 1.126 121.550 120.570 -0.242 0.000 2.264 289 I HA -0.246 3.912 4.170 -0.021 0.000 0.248 289 I C 2.823 178.934 176.117 -0.010 0.000 1.111 289 I CA 1.239 62.459 61.300 -0.133 0.000 1.382 289 I CB -1.504 36.573 38.000 0.128 0.000 1.060 289 I HN 0.296 nan 8.210 nan 0.000 0.418 290 A N 1.226 124.024 122.820 -0.037 0.000 1.840 290 A HA -0.158 4.150 4.320 -0.021 0.000 0.214 290 A C 2.005 179.519 177.584 -0.117 0.000 1.198 290 A CA 1.393 53.325 52.037 -0.176 0.000 0.608 290 A CB -0.769 18.151 19.000 -0.134 0.000 0.839 290 A HN 0.385 nan 8.150 nan 0.000 0.443 291 N N 0.043 118.704 118.700 -0.065 0.000 2.247 291 N HA -0.154 4.574 4.740 -0.021 0.000 0.189 291 N C 0.919 176.158 175.510 -0.450 0.000 1.009 291 N CA 1.463 54.387 53.050 -0.210 0.000 0.872 291 N CB -0.208 38.260 38.487 -0.031 0.000 0.980 291 N HN 0.298 nan 8.380 nan 0.000 0.436 292 K N -0.013 120.219 120.400 -0.280 0.000 2.372 292 K HA 0.216 4.524 4.320 -0.021 0.000 0.200 292 K C -0.006 176.479 176.600 -0.191 0.000 1.022 292 K CA 0.046 56.197 56.287 -0.227 0.000 1.125 292 K CB 0.290 32.733 32.500 -0.094 0.000 0.855 292 K HN 0.110 nan 8.250 nan 0.000 0.524 293 N N -0.929 117.648 118.700 -0.205 0.000 2.351 293 N HA 0.117 4.845 4.740 -0.021 0.000 0.254 293 N C 0.295 175.688 175.510 -0.196 0.000 1.241 293 N CA -0.022 52.943 53.050 -0.142 0.000 0.883 293 N CB 0.272 38.724 38.487 -0.058 0.000 1.202 293 N HN 0.271 nan 8.380 nan 0.000 0.512 294 H N -0.112 118.675 119.070 -0.471 0.000 2.421 294 H HA 0.005 4.549 4.556 -0.020 0.000 0.298 294 H C 1.378 176.561 175.328 -0.242 0.000 1.087 294 H CA 0.682 56.309 56.048 -0.703 0.000 1.330 294 H CB 0.373 29.812 29.762 -0.539 0.000 1.388 294 H HN 0.240 nan 8.280 nan 0.000 0.526 295 L N 0.625 121.831 121.223 -0.027 0.000 2.549 295 L HA -0.125 4.203 4.340 -0.021 0.000 0.229 295 L C 2.092 178.957 176.870 -0.007 0.000 1.158 295 L CA 0.559 55.394 54.840 -0.010 0.000 0.842 295 L CB -0.217 41.812 42.059 -0.050 0.000 0.952 295 L HN 0.258 nan 8.230 nan 0.000 0.452 296 R N -0.195 120.310 120.500 0.008 0.000 2.241 296 R HA -0.139 4.189 4.340 -0.021 0.000 0.224 296 R C 1.644 177.998 176.300 0.090 0.000 1.101 296 R CA 0.648 56.779 56.100 0.051 0.000 0.995 296 R CB -0.075 30.261 30.300 0.061 0.000 0.870 296 R HN 0.081 nan 8.270 nan 0.000 0.463 297 R N 0.107 120.676 120.500 0.116 0.000 2.427 297 R HA 0.249 4.577 4.340 -0.021 0.000 0.262 297 R C -0.308 176.051 176.300 0.100 0.000 0.943 297 R CA -0.053 56.111 56.100 0.107 0.000 1.081 297 R CB 0.384 30.763 30.300 0.132 0.000 1.166 297 R HN 0.106 nan 8.270 nan 0.000 0.534 298 A N -0.254 122.603 122.820 0.062 0.000 2.267 298 A HA 0.154 4.461 4.320 -0.021 0.000 0.271 298 A C 0.419 177.991 177.584 -0.019 0.000 1.131 298 A CA -0.182 51.873 52.037 0.031 0.000 0.818 298 A CB 0.309 19.310 19.000 0.003 0.000 1.118 298 A HN 0.280 nan 8.150 nan 0.000 0.501 299 D N -0.648 119.697 120.400 -0.091 0.000 2.162 299 D HA -0.007 4.621 4.640 -0.021 0.000 0.203 299 D C -0.110 175.879 176.300 -0.519 0.000 0.967 299 D CA 1.322 55.145 54.000 -0.294 0.000 0.840 299 D CB -0.032 40.541 40.800 -0.379 0.000 0.972 299 D HN 0.558 nan 8.370 nan 0.000 0.482 300 H N 0.355 119.431 119.070 0.010 0.000 2.380 300 H HA 0.308 4.852 4.556 -0.021 0.000 0.231 300 H C -2.332 172.888 175.328 -0.181 0.000 1.415 300 H CA -1.582 54.447 56.048 -0.033 0.000 1.433 300 H CB 0.566 30.324 29.762 -0.007 0.000 1.544 300 H HN -0.028 nan 8.280 nan 0.000 0.503 301 P HA 0.026 nan 4.420 nan 0.000 0.264 301 P C -2.283 174.512 177.300 -0.842 0.000 1.193 301 P CA -1.017 61.772 63.100 -0.519 0.000 0.763 301 P CB 0.460 31.855 31.700 -0.509 0.000 0.810 302 P HA 0.069 nan 4.420 nan 0.000 0.244 302 P C 0.313 177.471 177.300 -0.236 0.000 1.769 302 P CA -0.219 62.706 63.100 -0.291 0.000 1.102 302 P CB -0.291 31.322 31.700 -0.144 0.000 1.937 303 F N 1.456 121.430 119.950 0.040 0.000 2.147 303 F HA -0.208 4.307 4.527 -0.021 0.000 0.301 303 F C 2.074 177.863 175.800 -0.020 0.000 1.084 303 F CA 1.633 59.642 58.000 0.014 0.000 1.268 303 F CB -1.189 37.850 39.000 0.064 0.000 1.009 303 F HN 0.171 nan 8.300 nan 0.000 0.486 304 K N -0.182 120.309 120.400 0.152 0.000 2.439 304 K HA -0.075 4.233 4.320 -0.021 0.000 0.197 304 K C 0.753 177.348 176.600 -0.009 0.000 1.041 304 K CA 0.815 57.141 56.287 0.066 0.000 0.970 304 K CB -0.080 32.454 32.500 0.057 0.000 0.773 304 K HN 0.223 nan 8.250 nan 0.000 0.479 305 E N 0.446 120.624 120.200 -0.036 0.000 2.558 305 E HA 0.203 4.541 4.350 -0.021 0.000 0.205 305 E C -0.037 176.489 176.600 -0.124 0.000 1.006 305 E CA 0.090 56.435 56.400 -0.092 0.000 0.961 305 E CB 0.474 30.120 29.700 -0.091 0.000 1.044 305 E HN 0.188 nan 8.360 nan 0.000 0.465 306 L N -0.012 121.161 121.223 -0.083 0.000 2.327 306 L HA 0.417 4.745 4.340 -0.021 0.000 0.258 306 L C 0.337 177.173 176.870 -0.056 0.000 1.024 306 L CA -0.981 53.812 54.840 -0.079 0.000 0.825 306 L CB 1.950 43.991 42.059 -0.031 0.000 1.386 306 L HN -0.199 nan 8.230 nan 0.000 0.417 307 S N 0.267 115.959 115.700 -0.013 0.000 2.584 307 S HA 0.181 4.639 4.470 -0.021 0.000 0.270 307 S C 0.150 174.793 174.600 0.073 0.000 1.346 307 S CA -0.595 57.643 58.200 0.063 0.000 1.018 307 S CB 1.060 64.454 63.200 0.324 0.000 0.899 307 S HN 0.704 nan 8.310 nan 0.000 0.542 308 S N 1.673 117.416 115.700 0.072 0.000 2.614 308 S HA 0.234 4.692 4.470 -0.021 0.000 0.265 308 S C 0.860 175.483 174.600 0.037 0.000 1.303 308 S CA -0.694 57.515 58.200 0.014 0.000 1.000 308 S CB 0.313 63.505 63.200 -0.013 0.000 0.935 308 S HN 0.641 nan 8.310 nan 0.000 0.551 309 N N 1.315 119.958 118.700 -0.094 0.000 2.244 309 N HA -0.011 4.717 4.740 -0.021 0.000 0.183 309 N C 1.865 177.322 175.510 -0.088 0.000 1.016 309 N CA 1.350 54.339 53.050 -0.103 0.000 0.866 309 N CB -1.111 37.251 38.487 -0.207 0.000 0.980 309 N HN 0.843 nan 8.380 nan 0.000 0.430 310 G N 0.408 109.155 108.800 -0.088 0.000 2.402 310 G HA2 -0.224 3.724 3.960 -0.021 0.000 0.216 310 G HA3 -0.224 3.724 3.960 -0.021 0.000 0.216 310 G C 1.360 176.287 174.900 0.045 0.000 1.162 310 G CA 0.213 45.249 45.100 -0.107 0.000 0.777 310 G HN 0.236 nan 8.290 nan 0.000 0.539 311 F N 1.373 121.305 119.950 -0.030 0.000 2.014 311 F HA -0.031 4.483 4.527 -0.021 0.000 0.295 311 F C 2.768 178.619 175.800 0.085 0.000 1.145 311 F CA 1.594 59.623 58.000 0.048 0.000 1.178 311 F CB -0.221 38.827 39.000 0.081 0.000 0.972 311 F HN -0.024 nan 8.300 nan 0.000 0.476 312 M N -0.011 119.674 119.600 0.141 0.000 2.144 312 M HA -0.217 4.251 4.480 -0.021 0.000 0.260 312 M C 2.306 178.649 176.300 0.071 0.000 1.067 312 M CA 1.666 57.018 55.300 0.086 0.000 1.095 312 M CB -1.850 30.835 32.600 0.140 0.000 1.365 312 M HN 0.179 nan 8.290 nan 0.000 0.406 313 S N 0.516 116.237 115.700 0.034 0.000 2.368 313 S HA -0.079 4.378 4.470 -0.021 0.000 0.224 313 S C 1.695 176.299 174.600 0.007 0.000 1.029 313 S CA 1.157 59.381 58.200 0.040 0.000 0.988 313 S CB -0.409 62.758 63.200 -0.056 0.000 0.838 313 S HN 0.556 nan 8.310 nan 0.000 0.462 314 N N 1.024 119.707 118.700 -0.029 0.000 2.084 314 N HA -0.021 4.707 4.740 -0.021 0.000 0.190 314 N C 1.669 177.092 175.510 -0.145 0.000 1.030 314 N CA 1.252 54.285 53.050 -0.028 0.000 0.849 314 N CB -0.240 38.260 38.487 0.021 0.000 1.012 314 N HN 0.299 nan 8.380 nan 0.000 0.423 315 I N 0.813 121.216 120.570 -0.279 0.000 2.208 315 I HA -0.260 3.898 4.170 -0.021 0.000 0.245 315 I C 2.026 177.792 176.117 -0.585 0.000 1.097 315 I CA 1.108 62.068 61.300 -0.566 0.000 1.363 315 I CB -0.601 36.896 38.000 -0.839 0.000 1.051 315 I HN 0.203 nan 8.210 nan 0.000 0.413 316 T N 1.294 115.653 114.554 -0.325 0.000 2.720 316 T HA -0.147 4.190 4.350 -0.021 0.000 0.268 316 T C 1.881 176.431 174.700 -0.249 0.000 1.037 316 T CA 1.110 63.072 62.100 -0.231 0.000 1.144 316 T CB -0.182 68.679 68.868 -0.012 0.000 0.864 316 T HN 0.071 nan 8.240 nan 0.000 0.444 317 L N 0.506 121.627 121.223 -0.171 0.000 2.017 317 L HA 0.015 4.343 4.340 -0.021 0.000 0.208 317 L C 2.294 179.059 176.870 -0.176 0.000 1.073 317 L CA 1.339 56.083 54.840 -0.160 0.000 0.745 317 L CB -1.434 40.563 42.059 -0.103 0.000 0.894 317 L HN 0.204 nan 8.230 nan 0.000 0.432 318 L N -1.196 119.943 121.223 -0.140 0.000 1.971 318 L HA -0.243 4.085 4.340 -0.021 0.000 0.215 318 L C 2.510 179.423 176.870 0.072 0.000 1.072 318 L CA 1.500 56.342 54.840 0.003 0.000 0.758 318 L CB -1.396 40.673 42.059 0.016 0.000 0.889 318 L HN 0.152 nan 8.230 nan 0.000 0.433 319 L N -0.929 120.221 121.223 -0.121 0.000 2.021 319 L HA -0.242 4.086 4.340 -0.021 0.000 0.215 319 L C 2.660 179.464 176.870 -0.109 0.000 1.074 319 L CA 1.409 56.182 54.840 -0.111 0.000 0.760 319 L CB -1.318 40.494 42.059 -0.411 0.000 0.889 319 L HN 0.067 nan 8.230 nan 0.000 0.433 320 V N -0.520 119.219 119.914 -0.293 0.000 2.324 320 V HA -0.339 3.769 4.120 -0.021 0.000 0.250 320 V C 2.687 178.678 176.094 -0.173 0.000 1.060 320 V CA 1.842 63.917 62.300 -0.376 0.000 1.042 320 V CB -0.556 31.029 31.823 -0.397 0.000 0.650 320 V HN 0.457 nan 8.190 nan 0.000 0.450 321 R N -1.342 119.045 120.500 -0.188 0.000 2.090 321 R HA -0.056 4.271 4.340 -0.021 0.000 0.228 321 R C 2.243 178.486 176.300 -0.095 0.000 1.110 321 R CA 1.412 57.327 56.100 -0.309 0.000 0.973 321 R CB -0.376 29.444 30.300 -0.801 0.000 0.869 321 R HN 0.460 nan 8.270 nan 0.000 0.440 322 F N 0.308 120.362 119.950 0.173 0.000 2.269 322 F HA -0.146 4.369 4.527 -0.021 0.000 0.301 322 F C 2.334 178.277 175.800 0.238 0.000 1.082 322 F CA 1.039 59.209 58.000 0.284 0.000 1.360 322 F CB 0.171 39.345 39.000 0.290 0.000 1.041 322 F HN -0.054 nan 8.300 nan 0.000 0.512 323 S N -1.054 114.848 115.700 0.337 0.000 2.470 323 S HA -0.119 4.339 4.470 -0.021 0.000 0.222 323 S C 1.978 176.773 174.600 0.325 0.000 1.024 323 S CA 0.033 58.475 58.200 0.404 0.000 0.931 323 S CB -0.152 63.283 63.200 0.393 0.000 0.791 323 S HN 0.340 nan 8.310 nan 0.000 0.513 324 Q N 2.011 121.905 119.800 0.158 0.000 2.082 324 Q HA -0.169 4.159 4.340 -0.021 0.000 0.211 324 Q C -1.109 174.867 176.000 -0.040 0.000 1.002 324 Q CA 2.204 58.043 55.803 0.059 0.000 0.868 324 Q CB -1.610 27.096 28.738 -0.054 0.000 0.931 324 Q HN 0.317 nan 8.270 nan 0.000 0.414 325 P HA -0.163 nan 4.420 nan 0.000 0.216 325 P C 0.906 177.992 177.300 -0.357 0.000 1.157 325 P CA 1.556 64.443 63.100 -0.356 0.000 0.880 325 P CB -0.395 30.944 31.700 -0.601 0.000 0.791 326 F N -2.371 117.599 119.950 0.033 0.000 2.604 326 F HA -0.005 4.510 4.527 -0.021 0.000 0.298 326 F C 1.419 177.214 175.800 -0.008 0.000 1.131 326 F CA 0.694 58.700 58.000 0.010 0.000 1.457 326 F CB -0.525 38.469 39.000 -0.010 0.000 1.095 326 F HN -0.132 nan 8.300 nan 0.000 0.574 327 L N 0.217 121.496 121.223 0.093 0.000 3.066 327 L HA 0.195 4.523 4.340 -0.021 0.000 0.265 327 L C 0.079 176.811 176.870 -0.229 0.000 1.232 327 L CA -0.680 54.175 54.840 0.025 0.000 1.031 327 L CB -1.341 40.774 42.059 0.094 0.000 1.379 327 L HN 0.084 nan 8.230 nan 0.000 0.563 328 D N -0.917 119.328 120.400 -0.257 0.000 2.361 328 D HA -0.018 4.610 4.640 -0.021 0.000 0.239 328 D C 1.752 177.676 176.300 -0.627 0.000 1.200 328 D CA -0.256 53.551 54.000 -0.322 0.000 0.915 328 D CB 0.865 41.540 40.800 -0.207 0.000 1.170 328 D HN 0.280 nan 8.370 nan 0.000 0.444 329 I N -1.631 118.659 120.570 -0.468 0.000 3.102 329 I HA -0.171 3.987 4.170 -0.021 0.000 0.278 329 I C 1.237 177.128 176.117 -0.377 0.000 1.316 329 I CA 1.116 62.123 61.300 -0.487 0.000 1.425 329 I CB -0.649 37.235 38.000 -0.194 0.000 1.073 329 I HN 0.385 nan 8.210 nan 0.000 0.503 330 S N -0.791 114.726 115.700 -0.304 0.000 2.502 330 S HA 0.025 4.482 4.470 -0.021 0.000 0.215 330 S C 0.950 175.608 174.600 0.096 0.000 1.009 330 S CA -0.245 57.929 58.200 -0.044 0.000 0.908 330 S CB -0.506 62.700 63.200 0.010 0.000 0.801 330 S HN 0.556 nan 8.310 nan 0.000 0.505 331 Y N 1.959 122.276 120.300 0.029 0.000 4.236 331 Y HA -0.275 4.263 4.550 -0.020 0.000 0.220 331 Y C 1.430 177.457 175.900 0.211 0.000 1.115 331 Y CA 0.699 58.827 58.100 0.046 0.000 1.811 331 Y CB -2.501 35.878 38.460 -0.135 0.000 1.581 331 Y HN 0.368 nan 8.280 nan 0.000 0.643 332 K N 0.171 120.745 120.400 0.291 0.000 2.097 332 K HA -0.149 4.159 4.320 -0.021 0.000 0.206 332 K C 1.471 178.209 176.600 0.229 0.000 1.049 332 K CA 1.658 58.108 56.287 0.271 0.000 0.933 332 K CB -0.126 32.462 32.500 0.147 0.000 0.717 332 K HN 0.369 nan 8.250 nan 0.000 0.442 333 K N 0.533 121.065 120.400 0.220 0.000 2.410 333 K HA 0.075 4.383 4.320 -0.021 0.000 0.200 333 K C 1.269 178.026 176.600 0.261 0.000 1.023 333 K CA -0.206 56.232 56.287 0.251 0.000 1.149 333 K CB 0.247 32.946 32.500 0.331 0.000 0.859 333 K HN -0.020 nan 8.250 nan 0.000 0.514 334 I N 1.656 122.391 120.570 0.275 0.000 2.502 334 I HA -0.266 3.891 4.170 -0.021 0.000 0.258 334 I C 0.983 177.222 176.117 0.203 0.000 1.172 334 I CA 1.652 63.106 61.300 0.258 0.000 1.430 334 I CB 0.036 38.223 38.000 0.312 0.000 1.086 334 I HN 0.104 nan 8.210 nan 0.000 0.440 335 D N -0.248 120.264 120.400 0.188 0.000 2.339 335 D HA -0.013 4.614 4.640 -0.021 0.000 0.217 335 D C 1.852 178.201 176.300 0.081 0.000 1.050 335 D CA 0.229 54.323 54.000 0.157 0.000 0.856 335 D CB 0.105 40.995 40.800 0.150 0.000 0.922 335 D HN 0.216 nan 8.370 nan 0.000 0.518 336 K N 0.146 120.559 120.400 0.022 0.000 2.280 336 K HA -0.004 4.304 4.320 -0.021 0.000 0.202 336 K C 0.753 177.247 176.600 -0.177 0.000 1.047 336 K CA 0.360 56.592 56.287 -0.093 0.000 0.942 336 K CB 0.314 32.686 32.500 -0.213 0.000 0.739 336 K HN 0.286 nan 8.250 nan 0.000 0.457 337 I N 2.289 122.746 120.570 -0.187 0.000 2.352 337 I HA 0.002 4.160 4.170 -0.021 0.000 0.290 337 I C 0.080 176.241 176.117 0.073 0.000 1.036 337 I CA -0.666 60.470 61.300 -0.273 0.000 1.336 337 I CB 0.636 38.163 38.000 -0.788 0.000 1.407 337 I HN -0.120 nan 8.210 nan 0.000 0.497 338 D N 5.372 125.860 120.400 0.146 0.000 2.338 338 D HA 0.258 4.886 4.640 -0.021 0.000 0.255 338 D C 0.950 177.564 176.300 0.524 0.000 1.237 338 D CA -0.009 54.170 54.000 0.299 0.000 0.883 338 D CB 1.515 42.470 40.800 0.260 0.000 1.087 338 D HN 0.631 nan 8.370 nan 0.000 0.485 339 A N 4.472 127.610 122.820 0.529 0.000 2.067 339 A HA -0.138 4.170 4.320 -0.021 0.000 0.219 339 A C 1.385 179.325 177.584 0.593 0.000 1.158 339 A CA 0.721 53.149 52.037 0.652 0.000 0.661 339 A CB -0.107 19.152 19.000 0.432 0.000 0.801 339 A HN 0.598 nan 8.150 nan 0.000 0.452 340 N N -1.093 117.844 118.700 0.395 0.000 2.346 340 N HA 0.047 4.774 4.740 -0.021 0.000 0.225 340 N C 0.646 176.269 175.510 0.188 0.000 1.144 340 N CA -0.070 53.169 53.050 0.315 0.000 0.837 340 N CB -0.305 38.301 38.487 0.198 0.000 1.069 340 N HN 0.605 nan 8.380 nan 0.000 0.487 341 Y N 0.560 120.871 120.300 0.019 0.000 2.193 341 Y HA -0.188 4.350 4.550 -0.021 0.000 0.285 341 Y C 0.910 176.504 175.900 -0.510 0.000 1.166 341 Y CA 1.669 59.580 58.100 -0.314 0.000 1.181 341 Y CB -0.143 37.969 38.460 -0.580 0.000 0.976 341 Y HN -0.028 nan 8.280 nan 0.000 0.520 342 F N -0.670 119.205 119.950 -0.126 0.000 2.727 342 F HA 0.119 4.634 4.527 -0.020 0.000 0.302 342 F C 1.541 177.411 175.800 0.117 0.000 1.097 342 F CA 0.011 57.953 58.000 -0.096 0.000 1.330 342 F CB -0.529 38.434 39.000 -0.061 0.000 1.084 342 F HN -0.030 nan 8.300 nan 0.000 0.578 343 N N 0.038 118.849 118.700 0.184 0.000 2.289 343 N HA -0.116 4.611 4.740 -0.021 0.000 0.184 343 N C 0.268 175.715 175.510 -0.106 0.000 1.016 343 N CA 0.906 53.959 53.050 0.004 0.000 0.872 343 N CB -0.140 38.290 38.487 -0.096 0.000 0.973 343 N HN 0.160 nan 8.380 nan 0.000 0.433 344 N N -0.569 118.012 118.700 -0.198 0.000 2.457 344 N HA 0.368 5.096 4.740 -0.021 0.000 0.290 344 N C -2.738 172.253 175.510 -0.864 0.000 1.232 344 N CA -1.541 51.241 53.050 -0.447 0.000 0.852 344 N CB 0.891 39.172 38.487 -0.343 0.000 1.313 344 N HN -0.198 nan 8.380 nan 0.000 0.522 345 P HA -0.031 nan 4.420 nan 0.000 0.264 345 P C -0.153 176.840 177.300 -0.512 0.000 1.183 345 P CA 0.397 62.885 63.100 -1.019 0.000 0.763 345 P CB 0.428 31.759 31.700 -0.616 0.000 0.807 346 S N 2.336 117.858 115.700 -0.297 0.000 2.549 346 S HA 0.108 4.566 4.470 -0.021 0.000 0.283 346 S C 1.236 175.715 174.600 -0.200 0.000 1.320 346 S CA -0.276 57.813 58.200 -0.184 0.000 1.058 346 S CB -0.275 62.950 63.200 0.041 0.000 0.882 346 S HN 0.363 nan 8.310 nan 0.000 0.498 347 L N 3.608 124.672 121.223 -0.264 0.000 2.354 347 L HA 0.186 4.514 4.340 -0.021 0.000 0.212 347 L C 0.702 177.214 176.870 -0.597 0.000 1.091 347 L CA 0.604 55.161 54.840 -0.471 0.000 0.828 347 L CB -0.037 41.622 42.059 -0.666 0.000 0.973 347 L HN 0.671 nan 8.230 nan 0.000 0.461 348 F N -1.214 118.781 119.950 0.075 0.000 2.463 348 F HA 0.263 4.777 4.527 -0.021 0.000 0.271 348 F C 0.950 176.853 175.800 0.171 0.000 0.888 348 F CA -0.640 57.436 58.000 0.127 0.000 1.149 348 F CB 0.226 39.326 39.000 0.166 0.000 1.071 348 F HN -0.354 nan 8.300 nan 0.000 0.802 349 I N 2.500 123.333 120.570 0.439 0.000 2.436 349 I HA 0.024 4.182 4.170 -0.021 0.000 0.289 349 I C -0.176 176.140 176.117 0.331 0.000 1.083 349 I CA -0.201 61.342 61.300 0.405 0.000 1.372 349 I CB 0.005 38.310 38.000 0.510 0.000 1.408 349 I HN 0.049 nan 8.210 nan 0.000 0.516 350 D N 7.791 128.364 120.400 0.288 0.000 2.348 350 D HA 0.046 4.674 4.640 -0.021 0.000 0.259 350 D C 0.662 177.152 176.300 0.316 0.000 1.296 350 D CA 0.229 54.370 54.000 0.236 0.000 0.931 350 D CB 0.745 41.641 40.800 0.159 0.000 1.067 350 D HN 0.468 nan 8.370 nan 0.000 0.503 351 L N 2.545 123.945 121.223 0.295 0.000 2.591 351 L HA 0.027 4.355 4.340 -0.021 0.000 0.228 351 L C 1.111 178.148 176.870 0.279 0.000 1.133 351 L CA -0.152 54.883 54.840 0.324 0.000 0.880 351 L CB -0.368 41.880 42.059 0.315 0.000 1.033 351 L HN 0.320 nan 8.230 nan 0.000 0.450 352 S N -0.368 115.452 115.700 0.200 0.000 2.562 352 S HA 0.346 4.804 4.470 -0.021 0.000 0.281 352 S C 1.340 176.032 174.600 0.153 0.000 1.333 352 S CA 0.165 58.420 58.200 0.092 0.000 1.052 352 S CB 1.308 64.512 63.200 0.006 0.000 0.884 352 S HN 0.498 nan 8.310 nan 0.000 0.506 353 G N 1.108 109.973 108.800 0.109 0.000 2.212 353 G HA2 -0.221 3.727 3.960 -0.021 0.000 0.266 353 G HA3 -0.221 3.727 3.960 -0.021 0.000 0.266 353 G C -0.119 175.033 174.900 0.420 0.000 0.978 353 G CA 0.270 45.539 45.100 0.282 0.000 0.632 353 G HN 0.775 nan 8.290 nan 0.000 0.537 354 E N 1.866 122.316 120.200 0.418 0.000 2.194 354 E HA 0.382 4.719 4.350 -0.021 0.000 0.284 354 E C 0.388 177.111 176.600 0.205 0.000 1.035 354 E CA 0.028 56.617 56.400 0.315 0.000 0.836 354 E CB 0.881 30.763 29.700 0.304 0.000 1.070 354 E HN 0.259 nan 8.360 nan 0.000 0.401 355 T N 3.549 118.158 114.554 0.092 0.000 2.919 355 T HA 0.188 4.525 4.350 -0.021 0.000 0.302 355 T C 0.629 175.257 174.700 -0.120 0.000 1.031 355 T CA -0.245 61.821 62.100 -0.057 0.000 1.127 355 T CB 0.604 69.450 68.868 -0.036 0.000 0.952 355 T HN 0.137 nan 8.240 nan 0.000 0.540 356 R N 1.256 121.653 120.500 -0.172 0.000 2.553 356 R HA 0.432 4.759 4.340 -0.021 0.000 0.263 356 R C 1.150 177.334 176.300 -0.193 0.000 1.066 356 R CA -0.844 55.137 56.100 -0.197 0.000 1.135 356 R CB 0.000 30.199 30.300 -0.169 0.000 1.148 356 R HN 0.329 nan 8.270 nan 0.000 0.558 357 L N 0.664 121.748 121.223 -0.231 0.000 1.976 357 L HA -0.045 4.282 4.340 -0.021 0.000 0.209 357 L C 0.478 177.262 176.870 -0.143 0.000 1.071 357 L CA 1.974 56.698 54.840 -0.194 0.000 0.746 357 L CB -0.639 41.232 42.059 -0.314 0.000 0.890 357 L HN 0.587 nan 8.230 nan 0.000 0.432 358 N N -0.277 118.312 118.700 -0.186 0.000 2.726 358 N HA 0.278 5.006 4.740 -0.021 0.000 0.253 358 N C -1.460 173.904 175.510 -0.244 0.000 1.530 358 N CA 0.351 53.301 53.050 -0.166 0.000 0.772 358 N CB 0.696 39.112 38.487 -0.117 0.000 1.220 358 N HN 0.279 nan 8.380 nan 0.000 0.508 359 S N -0.138 115.427 115.700 -0.225 0.000 2.686 359 S HA 0.369 4.826 4.470 -0.021 0.000 0.273 359 S C -1.721 172.761 174.600 -0.197 0.000 1.060 359 S CA -1.062 57.004 58.200 -0.225 0.000 0.845 359 S CB 1.414 64.412 63.200 -0.336 0.000 1.086 359 S HN 0.203 nan 8.310 nan 0.000 0.461 360 D N -0.024 120.277 120.400 -0.165 0.000 2.506 360 D HA 0.486 5.113 4.640 -0.021 0.000 0.254 360 D C 0.507 176.707 176.300 -0.167 0.000 1.089 360 D CA -0.804 53.034 54.000 -0.271 0.000 1.050 360 D CB 0.257 40.939 40.800 -0.198 0.000 1.221 360 D HN 0.307 nan 8.370 nan 0.000 0.589 361 F N 0.525 120.484 119.950 0.016 0.000 2.043 361 F HA -0.144 4.372 4.527 -0.019 0.000 0.297 361 F C 2.488 178.286 175.800 -0.005 0.000 1.121 361 F CA 1.223 59.229 58.000 0.010 0.000 1.199 361 F CB -0.992 38.023 39.000 0.026 0.000 0.968 361 F HN 0.277 nan 8.300 nan 0.000 0.478 362 K N 0.325 120.844 120.400 0.199 0.000 2.032 362 K HA -0.269 4.038 4.320 -0.021 0.000 0.218 362 K C 1.939 178.584 176.600 0.075 0.000 1.054 362 K CA 2.254 58.610 56.287 0.115 0.000 0.941 362 K CB -0.602 31.951 32.500 0.089 0.000 0.720 362 K HN 0.363 nan 8.250 nan 0.000 0.449 363 E N 0.305 120.551 120.200 0.077 0.000 2.118 363 E HA -0.209 4.129 4.350 -0.021 0.000 0.195 363 E C 2.105 178.768 176.600 0.106 0.000 0.992 363 E CA 1.003 57.475 56.400 0.119 0.000 0.804 363 E CB -0.138 29.647 29.700 0.142 0.000 0.741 363 E HN 0.399 nan 8.360 nan 0.000 0.458 364 A N 1.868 124.708 122.820 0.034 0.000 1.858 364 A HA -0.226 4.082 4.320 -0.021 0.000 0.216 364 A C 1.842 179.078 177.584 -0.580 0.000 1.190 364 A CA 1.690 53.563 52.037 -0.273 0.000 0.617 364 A CB -0.434 18.466 19.000 -0.168 0.000 0.827 364 A HN 0.107 nan 8.150 nan 0.000 0.443 365 D N 0.132 120.361 120.400 -0.284 0.000 2.123 365 D HA -0.131 4.497 4.640 -0.021 0.000 0.196 365 D C 2.237 178.506 176.300 -0.053 0.000 0.992 365 D CA 1.598 55.513 54.000 -0.141 0.000 0.833 365 D CB -0.394 40.428 40.800 0.036 0.000 0.954 365 D HN 0.430 nan 8.370 nan 0.000 0.455 366 A N 0.553 123.365 122.820 -0.015 0.000 1.908 366 A HA -0.184 4.123 4.320 -0.021 0.000 0.218 366 A C 2.145 179.778 177.584 0.081 0.000 1.181 366 A CA 0.969 53.035 52.037 0.049 0.000 0.627 366 A CB -1.123 17.921 19.000 0.074 0.000 0.818 366 A HN 0.297 nan 8.150 nan 0.000 0.445 367 F N -1.113 118.703 119.950 -0.223 0.000 2.216 367 F HA -0.201 4.315 4.527 -0.019 0.000 0.300 367 F C 2.148 177.909 175.800 -0.064 0.000 1.085 367 F CA 1.236 59.074 58.000 -0.270 0.000 1.326 367 F CB -0.093 38.451 39.000 -0.760 0.000 1.027 367 F HN 0.385 nan 8.300 nan 0.000 0.497 368 Y N 0.014 120.255 120.300 -0.098 0.000 2.242 368 Y HA -0.255 4.283 4.550 -0.019 0.000 0.291 368 Y C 2.210 178.031 175.900 -0.131 0.000 1.137 368 Y CA 0.360 58.366 58.100 -0.156 0.000 1.181 368 Y CB -0.248 38.167 38.460 -0.076 0.000 0.989 368 Y HN 0.080 nan 8.280 nan 0.000 0.527 369 D N 0.492 120.944 120.400 0.087 0.000 2.084 369 D HA -0.173 4.455 4.640 -0.021 0.000 0.196 369 D C 1.863 178.161 176.300 -0.004 0.000 0.985 369 D CA 1.118 55.139 54.000 0.036 0.000 0.826 369 D CB -0.374 40.452 40.800 0.043 0.000 0.978 369 D HN 0.207 nan 8.370 nan 0.000 0.456 370 K N 0.555 120.954 120.400 -0.002 0.000 2.286 370 K HA -0.111 4.197 4.320 -0.021 0.000 0.203 370 K C 0.917 177.465 176.600 -0.088 0.000 1.045 370 K CA 0.974 57.252 56.287 -0.014 0.000 0.935 370 K CB 0.172 32.705 32.500 0.056 0.000 0.737 370 K HN -0.000 nan 8.250 nan 0.000 0.460 371 N N 0.567 119.166 118.700 -0.167 0.000 2.205 371 N HA -0.008 4.719 4.740 -0.021 0.000 0.201 371 N C 0.876 176.302 175.510 -0.139 0.000 1.128 371 N CA 0.090 53.015 53.050 -0.209 0.000 0.867 371 N CB 0.418 38.664 38.487 -0.401 0.000 0.996 371 N HN 0.360 nan 8.380 nan 0.000 0.503 372 R N 1.083 121.526 120.500 -0.095 0.000 2.293 372 R HA 0.039 4.367 4.340 -0.021 0.000 0.219 372 R C 0.959 177.218 176.300 -0.068 0.000 1.091 372 R CA 0.786 56.838 56.100 -0.080 0.000 1.004 372 R CB -0.149 30.119 30.300 -0.053 0.000 0.865 372 R HN -0.064 nan 8.270 nan 0.000 0.469 373 K N 1.293 121.656 120.400 -0.062 0.000 2.365 373 K HA -0.035 4.272 4.320 -0.021 0.000 0.199 373 K C 0.961 177.531 176.600 -0.049 0.000 1.045 373 K CA 1.210 57.469 56.287 -0.046 0.000 0.962 373 K CB 0.038 32.517 32.500 -0.035 0.000 0.759 373 K HN 0.453 nan 8.250 nan 0.000 0.469 374 T N -1.752 112.762 114.554 -0.068 0.000 2.934 374 T HA 0.549 4.886 4.350 -0.021 0.000 0.283 374 T C 0.111 174.770 174.700 -0.068 0.000 1.005 374 T CA -0.819 61.243 62.100 -0.063 0.000 1.041 374 T CB 1.717 70.539 68.868 -0.076 0.000 1.042 374 T HN 0.135 nan 8.240 nan 0.000 0.505 375 A N 1.889 124.676 122.820 -0.055 0.000 2.600 375 A HA 0.027 4.335 4.320 -0.021 0.000 0.244 375 A C 1.408 178.944 177.584 -0.079 0.000 1.016 375 A CA 0.397 52.401 52.037 -0.055 0.000 0.778 375 A CB -0.498 18.478 19.000 -0.040 0.000 0.920 375 A HN 1.045 nan 8.150 nan 0.000 0.513 376 D N 1.815 122.167 120.400 -0.079 0.000 2.103 376 D HA -0.085 4.543 4.640 -0.021 0.000 0.199 376 D C 0.829 177.064 176.300 -0.108 0.000 0.978 376 D CA 1.463 55.402 54.000 -0.102 0.000 0.829 376 D CB 0.055 40.802 40.800 -0.088 0.000 0.981 376 D HN 0.656 nan 8.370 nan 0.000 0.464 377 S N -0.372 115.281 115.700 -0.079 0.000 2.525 377 S HA 0.472 4.929 4.470 -0.021 0.000 0.278 377 S C -0.018 174.555 174.600 -0.045 0.000 1.234 377 S CA -0.711 57.448 58.200 -0.068 0.000 1.058 377 S CB 2.340 65.512 63.200 -0.047 0.000 0.983 377 S HN 0.225 nan 8.310 nan 0.000 0.495 378 K N 2.178 122.558 120.400 -0.033 0.000 2.642 378 K HA 0.131 4.439 4.320 -0.021 0.000 0.229 378 K C -2.936 173.701 176.600 0.062 0.000 1.576 378 K CA -0.530 55.762 56.287 0.009 0.000 0.768 378 K CB 0.602 33.095 32.500 -0.012 0.000 1.363 378 K HN 0.585 nan 8.250 nan 0.000 0.443 379 P HA 0.076 nan 4.420 nan 0.000 0.220 379 P C -0.714 176.747 177.300 0.269 0.000 1.806 379 P CA -0.378 62.883 63.100 0.269 0.000 0.976 379 P CB -0.435 31.463 31.700 0.330 0.000 1.952 380 N N 1.007 119.839 118.700 0.219 0.000 2.423 380 N HA -0.096 4.631 4.740 -0.021 0.000 0.275 380 N C 0.694 176.315 175.510 0.185 0.000 1.283 380 N CA -0.157 53.003 53.050 0.184 0.000 0.932 380 N CB -0.147 38.428 38.487 0.146 0.000 1.185 380 N HN 0.083 nan 8.380 nan 0.000 0.483 381 F N 4.969 124.944 119.950 0.042 0.000 2.095 381 F HA -0.147 4.367 4.527 -0.020 0.000 0.298 381 F C 1.642 177.415 175.800 -0.046 0.000 1.104 381 F CA 1.456 59.450 58.000 -0.011 0.000 1.232 381 F CB -0.080 38.900 39.000 -0.033 0.000 0.987 381 F HN 0.616 nan 8.300 nan 0.000 0.475 382 I N -0.617 119.940 120.570 -0.022 0.000 2.248 382 I HA -0.360 3.798 4.170 -0.021 0.000 0.248 382 I C 2.421 178.320 176.117 -0.364 0.000 1.107 382 I CA 1.561 62.695 61.300 -0.276 0.000 1.373 382 I CB -0.726 36.987 38.000 -0.478 0.000 1.055 382 I HN 0.132 nan 8.210 nan 0.000 0.418 383 S N 0.135 115.689 115.700 -0.244 0.000 2.357 383 S HA -0.148 4.310 4.470 -0.021 0.000 0.221 383 S C 1.608 176.037 174.600 -0.285 0.000 1.031 383 S CA 1.021 59.074 58.200 -0.244 0.000 0.982 383 S CB -0.249 62.935 63.200 -0.028 0.000 0.853 383 S HN 0.410 nan 8.310 nan 0.000 0.458 384 D N 0.949 121.240 120.400 -0.182 0.000 2.126 384 D HA -0.160 4.468 4.640 -0.021 0.000 0.190 384 D C 2.163 178.321 176.300 -0.238 0.000 1.001 384 D CA 1.187 55.114 54.000 -0.122 0.000 0.841 384 D CB -0.705 40.042 40.800 -0.089 0.000 0.949 384 D HN 0.402 nan 8.370 nan 0.000 0.446 385 C N 0.242 119.253 119.300 -0.482 0.000 2.425 385 C HA -0.179 4.269 4.460 -0.021 0.000 0.277 385 C C 2.640 177.510 174.990 -0.200 0.000 1.280 385 C CA 0.380 59.133 59.018 -0.442 0.000 1.744 385 C CB -1.569 25.744 27.740 -0.712 0.000 1.989 385 C HN 0.298 nan 8.230 nan 0.000 0.491 386 F N 0.648 120.386 119.950 -0.354 0.000 2.102 386 F HA 0.006 4.520 4.527 -0.021 0.000 0.298 386 F C 1.711 177.336 175.800 -0.292 0.000 1.105 386 F CA 1.875 59.674 58.000 -0.335 0.000 1.239 386 F CB -0.712 37.906 39.000 -0.636 0.000 0.991 386 F HN 0.213 nan 8.300 nan 0.000 0.474 387 F N 0.001 119.843 119.950 -0.180 0.000 2.407 387 F HA -0.026 4.489 4.527 -0.021 0.000 0.299 387 F C 2.222 178.041 175.800 0.030 0.000 1.097 387 F CA 0.680 58.609 58.000 -0.119 0.000 1.422 387 F CB -0.745 38.136 39.000 -0.199 0.000 1.067 387 F HN 0.008 nan 8.300 nan 0.000 0.539 388 L N -0.836 120.456 121.223 0.114 0.000 2.179 388 L HA -0.157 4.171 4.340 -0.021 0.000 0.208 388 L C 2.228 179.148 176.870 0.083 0.000 1.096 388 L CA 1.180 56.111 54.840 0.152 0.000 0.779 388 L CB -0.572 41.527 42.059 0.068 0.000 0.922 388 L HN 0.107 nan 8.230 nan 0.000 0.443 389 T N 0.189 114.673 114.554 -0.116 0.000 2.746 389 T HA -0.174 4.163 4.350 -0.021 0.000 0.267 389 T C 1.911 176.518 174.700 -0.155 0.000 1.039 389 T CA 1.087 63.019 62.100 -0.281 0.000 1.142 389 T CB -0.145 68.350 68.868 -0.621 0.000 0.866 389 T HN 0.207 nan 8.240 nan 0.000 0.444 390 L N 0.740 121.943 121.223 -0.033 0.000 2.141 390 L HA -0.102 4.225 4.340 -0.021 0.000 0.209 390 L C 2.859 179.788 176.870 0.097 0.000 1.094 390 L CA 1.090 56.016 54.840 0.144 0.000 0.763 390 L CB -0.857 41.361 42.059 0.266 0.000 0.908 390 L HN 0.306 nan 8.230 nan 0.000 0.437 391 T N -1.547 113.021 114.554 0.024 0.000 2.737 391 T HA -0.202 4.136 4.350 -0.021 0.000 0.265 391 T C 1.704 176.313 174.700 -0.152 0.000 1.038 391 T CA 1.357 63.268 62.100 -0.315 0.000 1.144 391 T CB -0.376 68.439 68.868 -0.089 0.000 0.866 391 T HN 0.184 nan 8.240 nan 0.000 0.434 392 Y N 1.069 121.314 120.300 -0.092 0.000 2.293 392 Y HA 0.092 4.630 4.550 -0.021 0.000 0.291 392 Y C 2.252 178.111 175.900 -0.068 0.000 1.137 392 Y CA 0.241 58.298 58.100 -0.071 0.000 1.202 392 Y CB -0.472 37.903 38.460 -0.141 0.000 0.990 392 Y HN 0.116 nan 8.280 nan 0.000 0.537 393 L N -0.644 120.610 121.223 0.052 0.000 2.079 393 L HA -0.316 4.012 4.340 -0.021 0.000 0.210 393 L C 2.567 179.479 176.870 0.070 0.000 1.081 393 L CA 1.877 56.741 54.840 0.040 0.000 0.752 393 L CB -0.387 41.702 42.059 0.050 0.000 0.896 393 L HN 0.448 nan 8.230 nan 0.000 0.433 394 H N -1.553 117.442 119.070 -0.125 0.000 2.306 394 H HA -0.157 4.387 4.556 -0.020 0.000 0.307 394 H C 2.037 177.214 175.328 -0.253 0.000 1.061 394 H CA 1.832 57.734 56.048 -0.244 0.000 1.359 394 H CB 0.049 29.508 29.762 -0.505 0.000 1.407 394 H HN 0.276 nan 8.280 nan 0.000 0.517 395 Y N 0.245 120.382 120.300 -0.271 0.000 2.420 395 Y HA 0.080 4.618 4.550 -0.021 0.000 0.292 395 Y C 2.591 178.382 175.900 -0.181 0.000 1.119 395 Y CA 0.768 58.692 58.100 -0.294 0.000 1.229 395 Y CB -0.496 37.809 38.460 -0.258 0.000 1.026 395 Y HN 0.269 nan 8.280 nan 0.000 0.554 396 G N -0.300 108.499 108.800 -0.001 0.000 2.624 396 G HA2 -0.091 3.857 3.960 -0.021 0.000 0.216 396 G HA3 -0.091 3.857 3.960 -0.021 0.000 0.216 396 G C 1.622 176.585 174.900 0.105 0.000 1.274 396 G CA 0.274 45.410 45.100 0.059 0.000 0.856 396 G HN 0.221 nan 8.290 nan 0.000 0.555 397 L N 0.990 122.300 121.223 0.146 0.000 2.042 397 L HA -0.047 4.280 4.340 -0.021 0.000 0.210 397 L C 3.173 180.171 176.870 0.213 0.000 1.076 397 L CA 1.259 56.245 54.840 0.245 0.000 0.749 397 L CB -0.757 41.475 42.059 0.288 0.000 0.893 397 L HN 0.401 nan 8.230 nan 0.000 0.432 398 G N -0.562 108.300 108.800 0.103 0.000 2.442 398 G HA2 -0.242 3.706 3.960 -0.021 0.000 0.219 398 G HA3 -0.242 3.706 3.960 -0.021 0.000 0.219 398 G C 1.475 176.383 174.900 0.014 0.000 1.141 398 G CA 0.813 45.928 45.100 0.025 0.000 0.763 398 G HN 0.523 nan 8.290 nan 0.000 0.554 399 G N -0.547 108.273 108.800 0.033 0.000 2.511 399 G HA2 0.045 3.993 3.960 -0.021 0.000 0.217 399 G HA3 0.045 3.993 3.960 -0.021 0.000 0.217 399 G C 1.715 176.704 174.900 0.147 0.000 1.133 399 G CA 1.442 46.594 45.100 0.087 0.000 0.792 399 G HN 0.382 nan 8.290 nan 0.000 0.539 400 T N 1.489 116.139 114.554 0.160 0.000 2.896 400 T HA -0.046 4.291 4.350 -0.021 0.000 0.263 400 T C 2.348 177.243 174.700 0.325 0.000 1.050 400 T CA 1.230 63.467 62.100 0.228 0.000 1.140 400 T CB -0.125 68.896 68.868 0.255 0.000 0.877 400 T HN 0.335 nan 8.240 nan 0.000 0.457 401 L N 1.313 122.625 121.223 0.148 0.000 2.240 401 L HA 0.203 4.530 4.340 -0.021 0.000 0.211 401 L C 2.396 179.070 176.870 -0.327 0.000 1.106 401 L CA 1.364 55.948 54.840 -0.426 0.000 0.793 401 L CB -1.133 40.247 42.059 -1.131 0.000 0.927 401 L HN 0.160 nan 8.230 nan 0.000 0.446 402 S N -0.795 114.876 115.700 -0.048 0.000 2.436 402 S HA -0.100 4.357 4.470 -0.021 0.000 0.228 402 S C 1.921 176.611 174.600 0.150 0.000 1.014 402 S CA 0.539 58.767 58.200 0.047 0.000 0.950 402 S CB -1.044 62.210 63.200 0.090 0.000 0.784 402 S HN 0.442 nan 8.310 nan 0.000 0.504 403 F N 3.668 123.649 119.950 0.053 0.000 2.146 403 F HA -0.022 4.492 4.527 -0.021 0.000 0.298 403 F C 2.348 178.181 175.800 0.056 0.000 1.096 403 F CA 1.887 59.931 58.000 0.073 0.000 1.275 403 F CB -0.378 38.661 39.000 0.065 0.000 1.008 403 F HN 0.417 nan 8.300 nan 0.000 0.480 404 E N -0.036 120.268 120.200 0.174 0.000 2.318 404 E HA -0.134 4.204 4.350 -0.021 0.000 0.193 404 E C 1.728 178.381 176.600 0.088 0.000 0.998 404 E CA 1.111 57.571 56.400 0.098 0.000 0.859 404 E CB -0.585 29.292 29.700 0.294 0.000 0.812 404 E HN 0.446 nan 8.360 nan 0.000 0.492 405 E N 1.103 121.377 120.200 0.123 0.000 2.204 405 E HA -0.120 4.217 4.350 -0.021 0.000 0.195 405 E C 1.321 177.950 176.600 0.048 0.000 0.990 405 E CA 1.254 57.743 56.400 0.149 0.000 0.821 405 E CB 0.043 29.849 29.700 0.176 0.000 0.750 405 E HN 0.313 nan 8.360 nan 0.000 0.477 406 K N -0.644 119.755 120.400 -0.002 0.000 2.379 406 K HA 0.137 4.445 4.320 -0.021 0.000 0.194 406 K C 1.806 178.356 176.600 -0.083 0.000 1.031 406 K CA 0.354 56.622 56.287 -0.031 0.000 1.037 406 K CB 0.130 32.617 32.500 -0.021 0.000 0.824 406 K HN 0.220 nan 8.250 nan 0.000 0.516 407 M N 0.133 119.654 119.600 -0.132 0.000 2.202 407 M HA -0.111 4.357 4.480 -0.021 0.000 0.262 407 M C 2.190 178.427 176.300 -0.106 0.000 1.063 407 M CA 1.663 56.868 55.300 -0.159 0.000 1.097 407 M CB -0.634 31.855 32.600 -0.185 0.000 1.382 407 M HN 0.303 nan 8.290 nan 0.000 0.413 408 G N 0.095 108.847 108.800 -0.080 0.000 2.514 408 G HA2 -0.222 3.725 3.960 -0.021 0.000 0.217 408 G HA3 -0.222 3.725 3.960 -0.021 0.000 0.217 408 G C 1.615 176.484 174.900 -0.052 0.000 1.198 408 G CA 1.297 46.355 45.100 -0.069 0.000 0.780 408 G HN 0.442 nan 8.290 nan 0.000 0.565 409 S N 0.328 116.006 115.700 -0.035 0.000 2.399 409 S HA -0.052 4.405 4.470 -0.021 0.000 0.231 409 S C 2.147 176.734 174.600 -0.021 0.000 1.022 409 S CA 1.325 59.514 58.200 -0.019 0.000 0.983 409 S CB -0.152 63.048 63.200 0.001 0.000 0.803 409 S HN 0.576 nan 8.310 nan 0.000 0.480 410 E N 0.729 120.907 120.200 -0.037 0.000 2.072 410 E HA -0.069 4.268 4.350 -0.021 0.000 0.191 410 E C 1.933 178.508 176.600 -0.041 0.000 0.985 410 E CA 0.994 57.370 56.400 -0.039 0.000 0.801 410 E CB -0.188 29.467 29.700 -0.075 0.000 0.750 410 E HN 0.473 nan 8.360 nan 0.000 0.452 411 I N 1.006 121.543 120.570 -0.055 0.000 2.252 411 I HA -0.268 3.889 4.170 -0.021 0.000 0.245 411 I C 2.571 178.668 176.117 -0.034 0.000 1.102 411 I CA 1.044 62.315 61.300 -0.049 0.000 1.385 411 I CB -0.188 37.773 38.000 -0.065 0.000 1.064 411 I HN 0.024 nan 8.210 nan 0.000 0.414 412 K N 1.343 121.724 120.400 -0.031 0.000 2.002 412 K HA -0.185 4.123 4.320 -0.021 0.000 0.209 412 K C 2.219 178.810 176.600 -0.014 0.000 1.048 412 K CA 1.618 57.892 56.287 -0.022 0.000 0.930 412 K CB -0.149 32.339 32.500 -0.020 0.000 0.714 412 K HN 0.279 nan 8.250 nan 0.000 0.438 413 A N 1.064 123.877 122.820 -0.011 0.000 1.972 413 A HA -0.112 4.195 4.320 -0.021 0.000 0.219 413 A C 2.095 179.675 177.584 -0.006 0.000 1.169 413 A CA 1.105 53.139 52.037 -0.005 0.000 0.635 413 A CB -0.487 18.514 19.000 0.002 0.000 0.810 413 A HN 0.354 nan 8.150 nan 0.000 0.446 414 L N -0.858 120.358 121.223 -0.012 0.000 2.056 414 L HA -0.160 4.168 4.340 -0.021 0.000 0.207 414 L C 2.531 179.394 176.870 -0.012 0.000 1.078 414 L CA 1.514 56.346 54.840 -0.012 0.000 0.749 414 L CB -0.292 41.757 42.059 -0.017 0.000 0.901 414 L HN 0.358 nan 8.230 nan 0.000 0.433 415 K N -0.208 120.184 120.400 -0.013 0.000 2.152 415 K HA -0.197 4.110 4.320 -0.021 0.000 0.206 415 K C 1.819 178.414 176.600 -0.008 0.000 1.048 415 K CA 1.385 57.665 56.287 -0.011 0.000 0.933 415 K CB -0.032 32.461 32.500 -0.011 0.000 0.721 415 K HN 0.442 nan 8.250 nan 0.000 0.447 416 E N 0.342 120.537 120.200 -0.007 0.000 2.216 416 E HA -0.115 4.222 4.350 -0.021 0.000 0.192 416 E C 1.750 178.348 176.600 -0.003 0.000 0.988 416 E CA 0.496 56.894 56.400 -0.004 0.000 0.834 416 E CB 0.173 29.872 29.700 -0.002 0.000 0.772 416 E HN 0.244 nan 8.360 nan 0.000 0.479 417 E N 1.099 121.296 120.200 -0.005 0.000 2.072 417 E HA -0.137 4.200 4.350 -0.021 0.000 0.190 417 E C 2.355 178.949 176.600 -0.010 0.000 0.982 417 E CA 0.722 57.119 56.400 -0.005 0.000 0.803 417 E CB -0.183 29.513 29.700 -0.006 0.000 0.755 417 E HN 0.437 nan 8.360 nan 0.000 0.453 418 I N -0.515 120.046 120.570 -0.014 0.000 2.546 418 I HA -0.101 4.057 4.170 -0.021 0.000 0.255 418 I C 1.708 177.815 176.117 -0.016 0.000 1.163 418 I CA 1.235 62.523 61.300 -0.020 0.000 1.457 418 I CB -0.014 37.973 38.000 -0.022 0.000 1.092 418 I HN -0.177 nan 8.210 nan 0.000 0.434 419 E N 1.700 121.894 120.200 -0.010 0.000 2.152 419 E HA -0.189 4.149 4.350 -0.021 0.000 0.192 419 E C 1.992 178.590 176.600 -0.003 0.000 0.983 419 E CA 0.982 57.378 56.400 -0.006 0.000 0.818 419 E CB -0.107 29.591 29.700 -0.004 0.000 0.758 419 E HN 0.597 nan 8.360 nan 0.000 0.467 420 K N 0.485 120.885 120.400 -0.001 0.000 2.103 420 K HA -0.032 4.275 4.320 -0.021 0.000 0.204 420 K C 1.977 178.581 176.600 0.007 0.000 1.052 420 K CA 0.575 56.866 56.287 0.006 0.000 0.945 420 K CB 0.273 32.778 32.500 0.010 0.000 0.722 420 K HN -0.100 nan 8.250 nan 0.000 0.443 421 V N 1.247 121.158 119.914 -0.004 0.000 2.719 421 V HA -0.109 3.998 4.120 -0.021 0.000 0.252 421 V C 1.502 177.581 176.094 -0.025 0.000 1.065 421 V CA 1.371 63.662 62.300 -0.014 0.000 1.086 421 V CB -0.211 31.590 31.823 -0.036 0.000 0.700 421 V HN 0.232 nan 8.190 nan 0.000 0.467 422 K N -0.035 120.352 120.400 -0.021 0.000 2.555 422 K HA -0.029 4.279 4.320 -0.021 0.000 0.193 422 K C 1.745 178.338 176.600 -0.012 0.000 1.032 422 K CA 0.578 56.852 56.287 -0.023 0.000 1.004 422 K CB 0.008 32.497 32.500 -0.018 0.000 0.804 422 K HN 0.442 nan 8.250 nan 0.000 0.496 423 K N 0.142 120.541 120.400 -0.001 0.000 2.348 423 K HA 0.167 4.474 4.320 -0.021 0.000 0.194 423 K C 0.364 176.977 176.600 0.021 0.000 1.052 423 K CA -0.014 56.279 56.287 0.010 0.000 1.004 423 K CB 0.458 32.968 32.500 0.016 0.000 0.873 423 K HN 0.051 nan 8.250 nan 0.000 0.523 424 I N 2.321 122.904 120.570 0.021 0.000 2.752 424 I HA -0.100 4.058 4.170 -0.021 0.000 0.289 424 I C 0.202 176.340 176.117 0.036 0.000 1.197 424 I CA -0.133 61.196 61.300 0.047 0.000 1.432 424 I CB 0.576 38.599 38.000 0.039 0.000 1.359 424 I HN 0.061 nan 8.210 nan 0.000 0.571 425 A N 6.464 129.339 122.820 0.091 0.000 2.280 425 A HA 0.681 4.989 4.320 -0.021 0.000 0.320 425 A C 0.131 177.820 177.584 0.174 0.000 1.366 425 A CA -0.503 51.589 52.037 0.091 0.000 0.938 425 A CB 0.437 19.489 19.000 0.086 0.000 1.157 425 A HN 0.806 nan 8.150 nan 0.000 0.536 426 A N 3.287 126.167 122.820 0.100 0.000 2.366 426 A HA 0.404 4.712 4.320 -0.021 0.000 0.322 426 A C 0.725 178.445 177.584 0.226 0.000 1.397 426 A CA -0.725 51.438 52.037 0.211 0.000 0.984 426 A CB -0.129 18.751 19.000 -0.200 0.000 1.149 426 A HN 0.819 nan 8.150 nan 0.000 0.540 427 N N 0.868 119.738 118.700 0.283 0.000 2.135 427 N HA -0.088 4.640 4.740 -0.021 0.000 0.186 427 N C 0.590 176.206 175.510 0.176 0.000 1.027 427 N CA 0.883 54.040 53.050 0.179 0.000 0.849 427 N CB -0.306 38.268 38.487 0.146 0.000 1.002 427 N HN 0.823 nan 8.380 nan 0.000 0.425 428 H N 1.350 120.519 119.070 0.166 0.000 2.707 428 H HA -0.033 4.511 4.556 -0.021 0.000 0.359 428 H C 0.305 175.716 175.328 0.140 0.000 1.113 428 H CA 0.607 56.732 56.048 0.130 0.000 1.422 428 H CB 1.242 31.074 29.762 0.117 0.000 1.443 428 H HN 0.134 nan 8.280 nan 0.000 0.591 429 D N 2.402 122.792 120.400 -0.018 0.000 2.178 429 D HA -0.132 4.495 4.640 -0.021 0.000 0.202 429 D C 1.946 178.379 176.300 0.222 0.000 0.974 429 D CA 0.876 54.923 54.000 0.079 0.000 0.841 429 D CB 0.353 41.144 40.800 -0.015 0.000 0.953 429 D HN 0.313 nan 8.370 nan 0.000 0.478 430 V N 0.193 120.369 119.914 0.437 0.000 2.358 430 V HA -0.170 3.938 4.120 -0.021 0.000 0.246 430 V C 2.036 178.329 176.094 0.331 0.000 1.047 430 V CA 1.366 63.864 62.300 0.329 0.000 1.035 430 V CB -0.671 31.313 31.823 0.268 0.000 0.658 430 V HN 0.297 nan 8.190 nan 0.000 0.452 431 F N 1.605 121.664 119.950 0.182 0.000 2.186 431 F HA -0.083 4.431 4.527 -0.021 0.000 0.299 431 F C 2.246 178.177 175.800 0.219 0.000 1.090 431 F CA 1.070 59.162 58.000 0.155 0.000 1.307 431 F CB -0.766 38.293 39.000 0.099 0.000 1.019 431 F HN 0.082 nan 8.300 nan 0.000 0.489 432 A N 0.737 123.619 122.820 0.103 0.000 1.902 432 A HA -0.192 4.116 4.320 -0.021 0.000 0.217 432 A C 2.418 179.985 177.584 -0.028 0.000 1.181 432 A CA 1.693 53.700 52.037 -0.050 0.000 0.623 432 A CB -0.695 18.317 19.000 0.020 0.000 0.818 432 A HN 0.430 nan 8.150 nan 0.000 0.443 433 R N -2.064 118.474 120.500 0.064 0.000 2.092 433 R HA -0.085 4.242 4.340 -0.021 0.000 0.231 433 R C 1.998 178.336 176.300 0.063 0.000 1.119 433 R CA 1.435 57.569 56.100 0.056 0.000 0.970 433 R CB -0.468 29.886 30.300 0.089 0.000 0.864 433 R HN 0.630 nan 8.270 nan 0.000 0.440 434 F N 1.567 121.502 119.950 -0.024 0.000 2.134 434 F HA -0.187 4.327 4.527 -0.021 0.000 0.299 434 F C 1.980 177.727 175.800 -0.088 0.000 1.097 434 F CA 1.278 59.270 58.000 -0.013 0.000 1.264 434 F CB -0.029 39.022 39.000 0.084 0.000 1.001 434 F HN -0.151 nan 8.300 nan 0.000 0.479 435 I N 0.041 120.479 120.570 -0.220 0.000 2.202 435 I HA -0.233 3.924 4.170 -0.021 0.000 0.242 435 I C 2.355 178.318 176.117 -0.257 0.000 1.091 435 I CA 1.605 62.702 61.300 -0.339 0.000 1.368 435 I CB -1.789 35.973 38.000 -0.396 0.000 1.058 435 I HN 0.166 nan 8.210 nan 0.000 0.410 436 T N 1.247 115.696 114.554 -0.175 0.000 2.867 436 T HA -0.067 4.271 4.350 -0.021 0.000 0.268 436 T C 2.005 176.629 174.700 -0.126 0.000 1.057 436 T CA 1.335 63.362 62.100 -0.122 0.000 1.136 436 T CB -0.128 68.695 68.868 -0.075 0.000 0.874 436 T HN 0.439 nan 8.240 nan 0.000 0.466 437 A N 1.048 123.778 122.820 -0.150 0.000 1.902 437 A HA -0.160 4.147 4.320 -0.021 0.000 0.217 437 A C 2.233 179.706 177.584 -0.184 0.000 1.181 437 A CA 1.855 53.808 52.037 -0.140 0.000 0.623 437 A CB -0.701 18.221 19.000 -0.131 0.000 0.818 437 A HN 0.554 nan 8.150 nan 0.000 0.443 438 Q N -0.459 119.162 119.800 -0.299 0.000 2.050 438 Q HA -0.120 4.208 4.340 -0.021 0.000 0.202 438 Q C 1.984 177.885 176.000 -0.164 0.000 0.980 438 Q CA 1.531 57.164 55.803 -0.283 0.000 0.840 438 Q CB -0.233 28.253 28.738 -0.420 0.000 0.898 438 Q HN 0.667 nan 8.270 nan 0.000 0.424 439 L N 0.082 121.218 121.223 -0.145 0.000 2.131 439 L HA -0.163 4.164 4.340 -0.021 0.000 0.210 439 L C 2.659 179.486 176.870 -0.071 0.000 1.092 439 L CA 1.060 55.844 54.840 -0.093 0.000 0.759 439 L CB -0.381 41.629 42.059 -0.083 0.000 0.903 439 L HN 0.269 nan 8.230 nan 0.000 0.435 440 S N -0.011 115.644 115.700 -0.076 0.000 2.355 440 S HA -0.243 4.214 4.470 -0.021 0.000 0.222 440 S C 2.105 176.679 174.600 -0.044 0.000 1.031 440 S CA 1.584 59.753 58.200 -0.052 0.000 0.993 440 S CB -0.059 63.111 63.200 -0.050 0.000 0.859 440 S HN 0.330 nan 8.310 nan 0.000 0.453 441 K N 0.062 120.428 120.400 -0.056 0.000 2.057 441 K HA -0.062 4.245 4.320 -0.021 0.000 0.207 441 K C 2.262 178.844 176.600 -0.031 0.000 1.049 441 K CA 1.536 57.799 56.287 -0.040 0.000 0.931 441 K CB -0.233 32.237 32.500 -0.050 0.000 0.714 441 K HN 0.421 nan 8.250 nan 0.000 0.440 442 M N 0.420 119.996 119.600 -0.040 0.000 2.132 442 M HA -0.144 4.323 4.480 -0.021 0.000 0.263 442 M C 1.747 178.035 176.300 -0.021 0.000 1.065 442 M CA 1.693 56.975 55.300 -0.029 0.000 1.122 442 M CB -0.090 32.489 32.600 -0.035 0.000 1.365 442 M HN 0.176 nan 8.290 nan 0.000 0.411 443 E N -0.205 119.981 120.200 -0.023 0.000 2.274 443 E HA -0.135 4.203 4.350 -0.021 0.000 0.194 443 E C 1.981 178.577 176.600 -0.007 0.000 0.996 443 E CA 0.490 56.882 56.400 -0.014 0.000 0.840 443 E CB 0.044 29.735 29.700 -0.015 0.000 0.772 443 E HN 0.202 nan 8.360 nan 0.000 0.491 444 K N 0.971 121.365 120.400 -0.009 0.000 2.103 444 K HA -0.017 4.290 4.320 -0.021 0.000 0.204 444 K C 1.903 178.503 176.600 0.001 0.000 1.052 444 K CA 1.069 57.354 56.287 -0.003 0.000 0.945 444 K CB -0.017 32.480 32.500 -0.005 0.000 0.722 444 K HN 0.101 nan 8.250 nan 0.000 0.443 445 A N 0.982 123.801 122.820 -0.003 0.000 1.930 445 A HA -0.093 4.215 4.320 -0.021 0.000 0.215 445 A C 2.090 179.670 177.584 -0.007 0.000 1.176 445 A CA 0.812 52.847 52.037 -0.002 0.000 0.632 445 A CB -0.432 18.567 19.000 -0.002 0.000 0.819 445 A HN 0.278 nan 8.150 nan 0.000 0.445 446 L N 0.164 121.382 121.223 -0.008 0.000 2.042 446 L HA -0.140 4.188 4.340 -0.021 0.000 0.210 446 L C 2.239 179.110 176.870 0.002 0.000 1.076 446 L CA 2.542 57.377 54.840 -0.010 0.000 0.749 446 L CB -0.537 41.517 42.059 -0.008 0.000 0.893 446 L HN 0.431 nan 8.230 nan 0.000 0.432 447 K N -1.513 118.895 120.400 0.013 0.000 2.057 447 K HA -0.158 4.150 4.320 -0.021 0.000 0.207 447 K C 1.876 178.499 176.600 0.038 0.000 1.049 447 K CA 1.844 58.150 56.287 0.031 0.000 0.931 447 K CB -0.155 32.363 32.500 0.029 0.000 0.714 447 K HN 0.408 nan 8.250 nan 0.000 0.440 448 T N 0.351 114.919 114.554 0.024 0.000 2.746 448 T HA -0.117 4.221 4.350 -0.021 0.000 0.267 448 T C 1.759 176.471 174.700 0.020 0.000 1.039 448 T CA 1.914 64.030 62.100 0.027 0.000 1.142 448 T CB -0.369 68.510 68.868 0.018 0.000 0.866 448 T HN 0.354 nan 8.240 nan 0.000 0.444 449 T N 1.965 116.513 114.554 -0.010 0.000 2.737 449 T HA -0.067 4.270 4.350 -0.021 0.000 0.265 449 T C 1.951 176.626 174.700 -0.043 0.000 1.038 449 T CA 1.092 63.162 62.100 -0.050 0.000 1.144 449 T CB -0.266 68.552 68.868 -0.083 0.000 0.866 449 T HN 0.498 nan 8.240 nan 0.000 0.434 450 E N 0.879 121.068 120.200 -0.018 0.000 2.110 450 E HA -0.087 4.251 4.350 -0.021 0.000 0.193 450 E C 2.549 179.196 176.600 0.079 0.000 0.988 450 E CA 1.153 57.546 56.400 -0.011 0.000 0.804 450 E CB -0.066 29.656 29.700 0.037 0.000 0.745 450 E HN 0.349 nan 8.360 nan 0.000 0.458 451 S N 0.827 116.602 115.700 0.125 0.000 2.371 451 S HA -0.099 4.358 4.470 -0.021 0.000 0.224 451 S C 1.820 176.482 174.600 0.102 0.000 1.029 451 S CA 0.445 58.761 58.200 0.193 0.000 0.978 451 S CB -0.102 63.200 63.200 0.172 0.000 0.833 451 S HN 0.096 nan 8.310 nan 0.000 0.466 452 L N 2.117 123.379 121.223 0.065 0.000 2.083 452 L HA 0.045 4.372 4.340 -0.021 0.000 0.209 452 L C 2.350 179.240 176.870 0.034 0.000 1.083 452 L CA 1.512 56.390 54.840 0.063 0.000 0.752 452 L CB -0.793 41.324 42.059 0.097 0.000 0.899 452 L HN 0.216 nan 8.230 nan 0.000 0.433 453 R N -1.426 119.058 120.500 -0.026 0.000 2.081 453 R HA -0.193 4.135 4.340 -0.021 0.000 0.235 453 R C 2.333 178.584 176.300 -0.082 0.000 1.131 453 R CA 1.700 57.760 56.100 -0.068 0.000 0.960 453 R CB -0.594 29.596 30.300 -0.185 0.000 0.856 453 R HN 0.271 nan 8.270 nan 0.000 0.436 454 F N 0.612 120.452 119.950 -0.184 0.000 2.134 454 F HA -0.150 4.364 4.527 -0.020 0.000 0.299 454 F C 2.585 178.088 175.800 -0.495 0.000 1.097 454 F CA 1.115 58.904 58.000 -0.352 0.000 1.264 454 F CB -0.324 38.261 39.000 -0.693 0.000 1.001 454 F HN 0.247 nan 8.300 nan 0.000 0.479 455 A N 0.283 122.872 122.820 -0.385 0.000 1.883 455 A HA -0.182 4.125 4.320 -0.021 0.000 0.217 455 A C 2.134 179.762 177.584 0.072 0.000 1.186 455 A CA 1.584 53.555 52.037 -0.111 0.000 0.624 455 A CB -1.126 17.906 19.000 0.052 0.000 0.822 455 A HN 0.392 nan 8.150 nan 0.000 0.444 456 L N -0.851 120.442 121.223 0.116 0.000 2.083 456 L HA -0.249 4.079 4.340 -0.021 0.000 0.209 456 L C 2.869 179.954 176.870 0.358 0.000 1.083 456 L CA 1.574 56.562 54.840 0.246 0.000 0.752 456 L CB -0.515 41.745 42.059 0.335 0.000 0.899 456 L HN 0.480 nan 8.230 nan 0.000 0.433 457 Q N -0.495 119.489 119.800 0.308 0.000 2.167 457 Q HA -0.110 4.218 4.340 -0.021 0.000 0.202 457 Q C 2.330 178.375 176.000 0.075 0.000 0.970 457 Q CA 1.212 57.247 55.803 0.385 0.000 0.855 457 Q CB -0.322 28.617 28.738 0.336 0.000 0.911 457 Q HN 0.615 nan 8.270 nan 0.000 0.438 458 G N 0.441 109.135 108.800 -0.177 0.000 2.408 458 G HA2 -0.258 3.689 3.960 -0.021 0.000 0.217 458 G HA3 -0.258 3.689 3.960 -0.021 0.000 0.217 458 G C 1.187 176.053 174.900 -0.056 0.000 1.150 458 G CA 0.317 45.107 45.100 -0.518 0.000 0.776 458 G HN 0.388 nan 8.290 nan 0.000 0.542 459 F N 0.033 119.925 119.950 -0.097 0.000 2.163 459 F HA 0.202 4.716 4.527 -0.021 0.000 0.297 459 F C 2.091 177.803 175.800 -0.147 0.000 1.094 459 F CA 0.861 58.806 58.000 -0.091 0.000 1.290 459 F CB 0.094 38.967 39.000 -0.212 0.000 1.017 459 F HN 0.110 nan 8.300 nan 0.000 0.483 460 F N 0.084 119.856 119.950 -0.297 0.000 2.558 460 F HA 0.101 4.616 4.527 -0.020 0.000 0.298 460 F C 2.254 177.584 175.800 -0.783 0.000 1.119 460 F CA 0.445 58.048 58.000 -0.662 0.000 1.451 460 F CB -0.228 38.385 39.000 -0.646 0.000 1.091 460 F HN 0.075 nan 8.300 nan 0.000 0.563 461 A N -1.708 120.908 122.820 -0.340 0.000 2.238 461 A HA -0.066 4.241 4.320 -0.021 0.000 0.210 461 A C 0.577 178.142 177.584 -0.030 0.000 1.179 461 A CA 0.119 52.052 52.037 -0.173 0.000 0.827 461 A CB -0.801 18.210 19.000 0.019 0.000 0.856 461 A HN 0.257 nan 8.150 nan 0.000 0.488 462 H N 0.982 119.951 119.070 -0.169 0.000 3.356 462 H HA 0.255 4.798 4.556 -0.021 0.000 0.260 462 H C 1.290 176.549 175.328 -0.114 0.000 1.570 462 H CA -0.234 55.753 56.048 -0.102 0.000 1.547 462 H CB -0.320 29.398 29.762 -0.073 0.000 1.774 462 H HN 0.420 nan 8.280 nan 0.000 0.542 463 R N 1.845 122.372 120.500 0.045 0.000 2.096 463 R HA -0.216 4.111 4.340 -0.021 0.000 0.240 463 R C 2.386 178.619 176.300 -0.112 0.000 1.139 463 R CA 1.799 57.879 56.100 -0.033 0.000 0.952 463 R CB -0.183 30.126 30.300 0.016 0.000 0.854 463 R HN 0.557 nan 8.270 nan 0.000 0.436 464 S N 0.107 115.728 115.700 -0.131 0.000 2.380 464 S HA -0.208 4.249 4.470 -0.021 0.000 0.229 464 S C 1.875 176.289 174.600 -0.310 0.000 1.050 464 S CA 1.869 59.951 58.200 -0.197 0.000 1.100 464 S CB -0.346 62.760 63.200 -0.156 0.000 0.984 464 S HN 0.384 nan 8.310 nan 0.000 0.434 465 L N 0.799 121.673 121.223 -0.581 0.000 2.027 465 L HA -0.087 4.240 4.340 -0.021 0.000 0.206 465 L C 3.053 179.766 176.870 -0.261 0.000 1.074 465 L CA 1.200 55.776 54.840 -0.441 0.000 0.745 465 L CB -0.725 41.010 42.059 -0.540 0.000 0.898 465 L HN 0.335 nan 8.230 nan 0.000 0.433 466 Q N 0.063 119.722 119.800 -0.234 0.000 2.170 466 Q HA -0.163 4.165 4.340 -0.021 0.000 0.203 466 Q C 2.326 178.348 176.000 0.037 0.000 0.976 466 Q CA 1.331 57.103 55.803 -0.051 0.000 0.858 466 Q CB -0.415 28.311 28.738 -0.021 0.000 0.907 466 Q HN 0.527 nan 8.270 nan 0.000 0.433 467 L N 0.543 121.758 121.223 -0.012 0.000 2.046 467 L HA -0.214 4.114 4.340 -0.021 0.000 0.208 467 L C 2.213 179.103 176.870 0.033 0.000 1.077 467 L CA 1.283 56.149 54.840 0.044 0.000 0.747 467 L CB -0.175 41.885 42.059 0.001 0.000 0.896 467 L HN 0.307 nan 8.230 nan 0.000 0.432 468 E N -0.883 119.290 120.200 -0.046 0.000 2.077 468 E HA -0.218 4.119 4.350 -0.021 0.000 0.193 468 E C 2.181 178.761 176.600 -0.034 0.000 0.989 468 E CA 1.374 57.735 56.400 -0.065 0.000 0.800 468 E CB -0.022 29.597 29.700 -0.136 0.000 0.746 468 E HN 0.296 nan 8.360 nan 0.000 0.452 469 V N 0.787 120.667 119.914 -0.057 0.000 2.295 469 V HA -0.239 3.868 4.120 -0.021 0.000 0.246 469 V C 1.986 178.052 176.094 -0.047 0.000 1.049 469 V CA 1.687 63.920 62.300 -0.113 0.000 1.024 469 V CB -0.425 31.256 31.823 -0.237 0.000 0.648 469 V HN 0.246 nan 8.190 nan 0.000 0.447 470 F N 1.240 121.136 119.950 -0.090 0.000 2.259 470 F HA -0.075 4.440 4.527 -0.021 0.000 0.298 470 F C 1.966 177.765 175.800 -0.001 0.000 1.088 470 F CA 1.427 59.411 58.000 -0.028 0.000 1.358 470 F CB -0.305 38.750 39.000 0.092 0.000 1.040 470 F HN 0.217 nan 8.300 nan 0.000 0.505 471 D N -0.550 119.825 120.400 -0.042 0.000 2.264 471 D HA -0.174 4.453 4.640 -0.021 0.000 0.208 471 D C 1.936 178.180 176.300 -0.093 0.000 0.966 471 D CA 0.928 54.868 54.000 -0.101 0.000 0.864 471 D CB -0.494 40.298 40.800 -0.013 0.000 0.933 471 D HN 0.378 nan 8.370 nan 0.000 0.499 472 F N 0.770 120.618 119.950 -0.170 0.000 2.163 472 F HA 0.011 4.526 4.527 -0.020 0.000 0.297 472 F C 1.929 177.647 175.800 -0.136 0.000 1.094 472 F CA 0.818 58.749 58.000 -0.114 0.000 1.290 472 F CB -0.155 38.772 39.000 -0.122 0.000 1.017 472 F HN -0.145 nan 8.300 nan 0.000 0.483 473 I N -0.322 120.078 120.570 -0.283 0.000 2.163 473 I HA -0.399 3.759 4.170 -0.021 0.000 0.243 473 I C 2.486 178.361 176.117 -0.404 0.000 1.085 473 I CA 1.484 62.538 61.300 -0.410 0.000 1.347 473 I CB -0.725 36.969 38.000 -0.511 0.000 1.044 473 I HN 0.282 nan 8.210 nan 0.000 0.408 474 C N 0.636 119.647 119.300 -0.482 0.000 2.425 474 C HA -0.112 4.336 4.460 -0.021 0.000 0.277 474 C C 2.907 177.870 174.990 -0.045 0.000 1.280 474 C CA 1.105 59.988 59.018 -0.224 0.000 1.744 474 C CB -1.745 25.848 27.740 -0.244 0.000 1.989 474 C HN 0.688 nan 8.230 nan 0.000 0.491 475 G N 0.035 108.787 108.800 -0.080 0.000 2.421 475 G HA2 0.056 4.004 3.960 -0.021 0.000 0.217 475 G HA3 0.056 4.004 3.960 -0.021 0.000 0.217 475 G C 1.844 176.763 174.900 0.032 0.000 1.143 475 G CA 0.892 46.045 45.100 0.089 0.000 0.784 475 G HN 0.600 nan 8.290 nan 0.000 0.541 476 A N 0.918 123.616 122.820 -0.202 0.000 1.930 476 A HA 0.040 4.347 4.320 -0.021 0.000 0.217 476 A C 2.689 180.302 177.584 0.047 0.000 1.175 476 A CA 2.140 54.144 52.037 -0.055 0.000 0.627 476 A CB -0.558 18.198 19.000 -0.406 0.000 0.815 476 A HN 0.296 nan 8.150 nan 0.000 0.443 477 S N -0.263 115.402 115.700 -0.058 0.000 2.351 477 S HA -0.165 4.293 4.470 -0.021 0.000 0.220 477 S C 2.091 176.687 174.600 -0.007 0.000 1.035 477 S CA 1.946 60.070 58.200 -0.126 0.000 1.031 477 S CB -0.773 62.495 63.200 0.113 0.000 0.928 477 S HN 0.683 nan 8.310 nan 0.000 0.433 478 T N 1.912 116.503 114.554 0.062 0.000 2.699 478 T HA -0.147 4.191 4.350 -0.021 0.000 0.268 478 T C 1.449 176.173 174.700 0.040 0.000 1.036 478 T CA 1.615 63.730 62.100 0.024 0.000 1.147 478 T CB -0.519 68.082 68.868 -0.444 0.000 0.862 478 T HN 0.427 nan 8.240 nan 0.000 0.446 479 F N 1.562 121.474 119.950 -0.063 0.000 2.134 479 F HA -0.011 4.505 4.527 -0.020 0.000 0.299 479 F C 1.885 177.726 175.800 0.068 0.000 1.097 479 F CA 1.103 59.087 58.000 -0.027 0.000 1.264 479 F CB -0.456 38.482 39.000 -0.104 0.000 1.001 479 F HN 0.070 nan 8.300 nan 0.000 0.479 480 L N -0.048 121.149 121.223 -0.044 0.000 2.093 480 L HA -0.195 4.133 4.340 -0.021 0.000 0.208 480 L C 2.464 179.253 176.870 -0.135 0.000 1.085 480 L CA 1.157 55.955 54.840 -0.071 0.000 0.755 480 L CB -0.687 41.385 42.059 0.022 0.000 0.904 480 L HN 0.181 nan 8.230 nan 0.000 0.435 481 I N -0.149 120.354 120.570 -0.111 0.000 2.361 481 I HA -0.287 3.871 4.170 -0.021 0.000 0.251 481 I C 2.810 178.753 176.117 -0.290 0.000 1.133 481 I CA 1.116 62.255 61.300 -0.269 0.000 1.413 481 I CB -0.336 37.353 38.000 -0.518 0.000 1.073 481 I HN 0.291 nan 8.210 nan 0.000 0.424 482 R N 1.006 121.415 120.500 -0.152 0.000 2.090 482 R HA -0.100 4.228 4.340 -0.021 0.000 0.228 482 R C 2.176 178.337 176.300 -0.232 0.000 1.110 482 R CA 1.117 57.150 56.100 -0.113 0.000 0.973 482 R CB -0.125 30.151 30.300 -0.040 0.000 0.869 482 R HN 0.123 nan 8.270 nan 0.000 0.440 483 V N 0.531 120.270 119.914 -0.291 0.000 2.343 483 V HA -0.213 3.894 4.120 -0.021 0.000 0.247 483 V C 2.359 178.286 176.094 -0.278 0.000 1.051 483 V CA 1.626 63.825 62.300 -0.169 0.000 1.036 483 V CB -0.152 31.582 31.823 -0.148 0.000 0.654 483 V HN 0.203 nan 8.190 nan 0.000 0.451 484 V N -0.143 119.538 119.914 -0.389 0.000 2.270 484 V HA -0.158 3.950 4.120 -0.021 0.000 0.245 484 V C 1.179 177.007 176.094 -0.443 0.000 1.043 484 V CA 1.394 63.407 62.300 -0.478 0.000 1.014 484 V CB -0.599 30.838 31.823 -0.643 0.000 0.645 484 V HN 0.646 nan 8.190 nan 0.000 0.447 485 D N 0.946 121.082 120.400 -0.439 0.000 2.554 485 D HA -0.026 4.601 4.640 -0.021 0.000 0.251 485 D C -1.653 174.369 176.300 -0.464 0.000 1.213 485 D CA -1.065 52.714 54.000 -0.368 0.000 0.900 485 D CB 1.122 41.770 40.800 -0.253 0.000 1.135 485 D HN 0.136 nan 8.370 nan 0.000 0.522 486 P HA -0.143 nan 4.420 nan 0.000 0.220 486 P C 0.111 177.418 177.300 0.012 0.000 1.144 486 P CA 1.179 64.197 63.100 -0.137 0.000 0.800 486 P CB 0.182 31.840 31.700 -0.071 0.000 0.772 487 E N -3.154 117.042 120.200 -0.008 0.000 2.498 487 E HA 0.043 4.381 4.350 -0.021 0.000 0.203 487 E C -0.391 176.329 176.600 0.200 0.000 1.013 487 E CA -0.168 56.301 56.400 0.116 0.000 0.927 487 E CB -0.386 29.353 29.700 0.064 0.000 1.012 487 E HN 0.342 nan 8.360 nan 0.000 0.482 488 H N 0.148 119.238 119.070 0.033 0.000 2.445 488 H HA -0.186 4.358 4.556 -0.020 0.000 0.322 488 H C 0.963 176.347 175.328 0.093 0.000 1.053 488 H CA 1.012 57.090 56.048 0.050 0.000 1.109 488 H CB -1.059 28.735 29.762 0.054 0.000 1.546 488 H HN 0.186 nan 8.280 nan 0.000 0.397 489 E N -0.583 119.718 120.200 0.170 0.000 2.332 489 E HA 0.181 4.519 4.350 -0.021 0.000 0.202 489 E C 0.280 176.997 176.600 0.194 0.000 0.877 489 E CA -0.299 56.223 56.400 0.203 0.000 0.979 489 E CB 0.348 30.145 29.700 0.161 0.000 0.969 489 E HN 0.355 nan 8.360 nan 0.000 0.495 490 F N 3.042 122.968 119.950 -0.040 0.000 2.642 490 F HA 0.016 4.532 4.527 -0.019 0.000 0.371 490 F C -1.640 173.997 175.800 -0.271 0.000 1.120 490 F CA -1.041 56.870 58.000 -0.148 0.000 1.331 490 F CB 0.897 39.794 39.000 -0.172 0.000 1.044 490 F HN 0.024 nan 8.300 nan 0.000 0.594 491 P HA 0.004 nan 4.420 nan 0.000 0.256 491 P C 0.665 177.473 177.300 -0.820 0.000 1.384 491 P CA 0.566 62.721 63.100 -1.574 0.000 0.879 491 P CB -0.307 30.398 31.700 -1.659 0.000 1.403 492 F N 0.730 120.549 119.950 -0.219 0.000 2.512 492 F HA 0.205 4.720 4.527 -0.021 0.000 0.296 492 F C 1.377 177.149 175.800 -0.047 0.000 1.110 492 F CA 0.674 58.617 58.000 -0.095 0.000 1.446 492 F CB 0.093 39.070 39.000 -0.039 0.000 1.092 492 F HN -0.105 nan 8.300 nan 0.000 0.554 493 K N 0.372 120.840 120.400 0.114 0.000 2.535 493 K HA 0.168 4.475 4.320 -0.021 0.000 0.250 493 K C -0.330 176.349 176.600 0.131 0.000 0.948 493 K CA -0.717 55.633 56.287 0.105 0.000 0.796 493 K CB 1.258 33.823 32.500 0.108 0.000 1.216 493 K HN -0.261 nan 8.250 nan 0.000 0.432 494 Q N 2.171 122.040 119.800 0.116 0.000 2.523 494 Q HA -0.003 4.325 4.340 -0.021 0.000 0.283 494 Q C -0.161 175.911 176.000 0.119 0.000 1.140 494 Q CA 0.591 56.494 55.803 0.166 0.000 0.981 494 Q CB 0.516 29.300 28.738 0.076 0.000 1.310 494 Q HN 0.709 nan 8.270 nan 0.000 0.483 495 I N 1.177 121.772 120.570 0.041 0.000 2.498 495 I HA 0.191 4.349 4.170 -0.021 0.000 0.301 495 I C -0.190 175.853 176.117 -0.122 0.000 0.984 495 I CA -0.575 60.664 61.300 -0.103 0.000 1.204 495 I CB 0.991 38.801 38.000 -0.317 0.000 1.362 495 I HN 0.175 nan 8.210 nan 0.000 0.471 496 K N 6.926 127.251 120.400 -0.125 0.000 2.253 496 K HA 0.400 4.707 4.320 -0.021 0.000 0.277 496 K C -1.478 175.027 176.600 -0.157 0.000 1.053 496 K CA -0.592 55.621 56.287 -0.123 0.000 0.892 496 K CB 0.895 33.339 32.500 -0.094 0.000 1.102 496 K HN 0.400 nan 8.250 nan 0.000 0.469 497 L N 5.751 126.872 121.223 -0.171 0.000 2.346 497 L HA 0.513 4.841 4.340 -0.021 0.000 0.276 497 L C -2.092 174.655 176.870 -0.205 0.000 1.006 497 L CA -2.235 52.488 54.840 -0.195 0.000 0.817 497 L CB 1.136 43.067 42.059 -0.213 0.000 1.272 497 L HN 0.463 nan 8.230 nan 0.000 0.421 498 P HA 0.312 nan 4.420 nan 0.000 0.274 498 P C 0.779 177.993 177.300 -0.144 0.000 1.246 498 P CA -0.482 62.508 63.100 -0.183 0.000 0.795 498 P CB 0.833 32.424 31.700 -0.181 0.000 1.006 499 L N 0.431 121.575 121.223 -0.132 0.000 2.022 499 L HA 0.095 4.423 4.340 -0.021 0.000 0.204 499 L C 1.302 178.131 176.870 -0.068 0.000 1.076 499 L CA 0.951 55.723 54.840 -0.114 0.000 0.749 499 L CB -0.613 41.368 42.059 -0.130 0.000 0.903 499 L HN 0.354 nan 8.230 nan 0.000 0.439 500 I N -1.508 119.036 120.570 -0.043 0.000 2.498 500 I HA 0.412 4.570 4.170 -0.021 0.000 0.301 500 I C -2.307 173.808 176.117 -0.002 0.000 0.984 500 I CA -2.500 58.805 61.300 0.007 0.000 1.204 500 I CB 1.070 39.104 38.000 0.057 0.000 1.362 500 I HN -0.137 nan 8.210 nan 0.000 0.471 501 P HA -0.008 nan 4.420 nan 0.000 0.267 501 P C -0.828 176.478 177.300 0.010 0.000 1.200 501 P CA 0.077 63.171 63.100 -0.010 0.000 0.772 501 P CB 0.443 32.145 31.700 0.003 0.000 0.855 502 D N 2.426 122.817 120.400 -0.015 0.000 2.434 502 D HA -0.008 4.620 4.640 -0.021 0.000 0.252 502 D C 0.545 176.879 176.300 0.056 0.000 1.185 502 D CA 0.596 54.618 54.000 0.036 0.000 0.886 502 D CB 0.159 40.982 40.800 0.039 0.000 1.148 502 D HN 0.331 nan 8.370 nan 0.000 0.483 503 Q N 2.730 122.567 119.800 0.062 0.000 2.320 503 Q HA 0.020 4.347 4.340 -0.021 0.000 0.262 503 Q C 1.509 177.531 176.000 0.038 0.000 1.225 503 Q CA -0.128 55.679 55.803 0.006 0.000 0.916 503 Q CB 0.298 29.007 28.738 -0.048 0.000 1.417 503 Q HN 0.528 nan 8.270 nan 0.000 0.462 504 I N 0.923 121.513 120.570 0.032 0.000 2.227 504 I HA -0.289 3.868 4.170 -0.021 0.000 0.250 504 I C 1.207 177.358 176.117 0.055 0.000 1.087 504 I CA 1.349 62.682 61.300 0.055 0.000 1.352 504 I CB -0.210 37.807 38.000 0.028 0.000 1.043 504 I HN 0.594 nan 8.210 nan 0.000 0.425 505 G N -0.027 108.781 108.800 0.013 0.000 3.114 505 G HA2 0.375 4.323 3.960 -0.021 0.000 0.320 505 G HA3 0.375 4.323 3.960 -0.021 0.000 0.320 505 G C 0.152 175.042 174.900 -0.016 0.000 1.453 505 G CA -0.357 44.746 45.100 0.005 0.000 1.084 505 G HN -0.015 nan 8.290 nan 0.000 0.516 506 V N 1.790 121.712 119.914 0.013 0.000 3.383 506 V HA -0.012 4.095 4.120 -0.021 0.000 0.272 506 V C 1.045 177.132 176.094 -0.013 0.000 1.181 506 V CA 0.934 63.236 62.300 0.004 0.000 1.171 506 V CB -0.250 31.597 31.823 0.040 0.000 0.800 506 V HN 0.566 nan 8.190 nan 0.000 0.515 507 E N 2.216 122.407 120.200 -0.015 0.000 3.079 507 E HA 0.086 4.423 4.350 -0.021 0.000 0.267 507 E C -0.110 176.472 176.600 -0.030 0.000 1.509 507 E CA 0.084 56.474 56.400 -0.016 0.000 1.630 507 E CB -0.801 28.893 29.700 -0.010 0.000 1.373 507 E HN 0.664 nan 8.360 nan 0.000 0.439 508 N N 0.108 118.784 118.700 -0.040 0.000 2.432 508 N HA 0.213 4.941 4.740 -0.021 0.000 0.292 508 N C -0.086 175.407 175.510 -0.029 0.000 1.193 508 N CA -0.717 52.301 53.050 -0.054 0.000 0.878 508 N CB 2.125 40.547 38.487 -0.109 0.000 1.252 508 N HN -0.070 nan 8.380 nan 0.000 0.520 509 V N -0.710 119.190 119.914 -0.024 0.000 2.529 509 V HA 0.047 4.154 4.120 -0.021 0.000 0.292 509 V C 0.480 176.578 176.094 0.008 0.000 1.028 509 V CA -1.025 61.272 62.300 -0.005 0.000 1.074 509 V CB -0.417 31.406 31.823 -0.000 0.000 0.958 509 V HN 0.813 nan 8.190 nan 0.000 0.481 510 D N 3.122 123.531 120.400 0.015 0.000 8.176 510 D HA -0.277 4.351 4.640 -0.021 0.000 0.129 510 D C 0.587 176.917 176.300 0.049 0.000 1.240 510 D CA 1.294 55.310 54.000 0.028 0.000 0.870 510 D CB -0.718 40.097 40.800 0.025 0.000 1.709 510 D HN 0.824 nan 8.370 nan 0.000 0.979 511 N N 2.426 121.161 118.700 0.058 0.000 2.322 511 N HA -0.160 4.567 4.740 -0.021 0.000 0.189 511 N C 2.034 177.626 175.510 0.136 0.000 1.012 511 N CA 1.734 54.853 53.050 0.115 0.000 0.880 511 N CB -0.239 38.321 38.487 0.122 0.000 0.967 511 N HN 0.666 nan 8.380 nan 0.000 0.439 512 A N 1.583 124.451 122.820 0.080 0.000 1.887 512 A HA -0.355 3.952 4.320 -0.021 0.000 0.225 512 A C 1.835 179.453 177.584 0.056 0.000 1.464 512 A CA 2.513 54.583 52.037 0.054 0.000 0.717 512 A CB -1.136 17.884 19.000 0.034 0.000 0.848 512 A HN 0.255 nan 8.150 nan 0.000 0.477 513 D N -1.832 118.611 120.400 0.071 0.000 2.117 513 D HA -0.089 4.538 4.640 -0.021 0.000 0.197 513 D C 1.636 178.001 176.300 0.109 0.000 0.987 513 D CA 1.423 55.466 54.000 0.072 0.000 0.829 513 D CB -0.433 40.413 40.800 0.076 0.000 0.961 513 D HN 0.512 nan 8.370 nan 0.000 0.460 514 F N 1.175 121.132 119.950 0.012 0.000 2.060 514 F HA -0.096 4.443 4.527 0.019 0.000 0.295 514 F C 2.129 177.943 175.800 0.023 0.000 1.120 514 F CA 1.164 59.167 58.000 0.005 0.000 1.205 514 F CB -0.458 38.493 39.000 -0.080 0.000 0.986 514 F HN -0.127 nan 8.300 nan 0.000 0.470 515 L N 0.239 121.483 121.223 0.035 0.000 2.013 515 L HA -0.284 4.043 4.340 -0.021 0.000 0.212 515 L C 2.742 179.550 176.870 -0.104 0.000 1.073 515 L CA 2.001 56.803 54.840 -0.063 0.000 0.753 515 L CB -0.757 41.334 42.059 0.055 0.000 0.890 515 L HN 0.186 nan 8.230 nan 0.000 0.432 516 R N 0.260 120.720 120.500 -0.066 0.000 2.091 516 R HA -0.184 4.143 4.340 -0.021 0.000 0.238 516 R C 2.287 178.511 176.300 -0.127 0.000 1.136 516 R CA 1.536 57.577 56.100 -0.098 0.000 0.959 516 R CB -0.284 29.969 30.300 -0.078 0.000 0.856 516 R HN 0.341 nan 8.270 nan 0.000 0.437 517 A N -0.227 122.535 122.820 -0.096 0.000 2.019 517 A HA -0.139 4.169 4.320 -0.021 0.000 0.219 517 A C 0.976 178.425 177.584 -0.225 0.000 1.164 517 A CA 1.489 53.456 52.037 -0.116 0.000 0.644 517 A CB -0.414 18.562 19.000 -0.039 0.000 0.805 517 A HN 0.523 nan 8.150 nan 0.000 0.449 518 H N -0.951 117.885 119.070 -0.389 0.000 2.542 518 H HA 0.571 5.120 4.556 -0.012 0.000 0.283 518 H C 0.706 175.888 175.328 -0.243 0.000 1.059 518 H CA -0.267 55.568 56.048 -0.356 0.000 1.162 518 H CB -0.128 29.304 29.762 -0.550 0.000 1.539 518 H HN 0.476 nan 8.280 nan 0.000 0.543 519 A N 2.304 125.046 122.820 -0.130 0.000 2.425 519 A HA 0.275 4.583 4.320 -0.021 0.000 0.249 519 A C -1.848 175.662 177.584 -0.124 0.000 1.084 519 A CA -1.290 50.674 52.037 -0.122 0.000 0.781 519 A CB -0.005 18.908 19.000 -0.146 0.000 1.019 519 A HN 0.108 nan 8.150 nan 0.000 0.490 520 P HA -0.036 nan 4.420 nan 0.000 0.261 520 P C 1.271 178.550 177.300 -0.034 0.000 1.165 520 P CA 0.053 63.108 63.100 -0.074 0.000 0.759 520 P CB 0.260 31.890 31.700 -0.117 0.000 0.772 521 V N 6.034 125.949 119.914 0.001 0.000 2.238 521 V HA -0.244 3.864 4.120 -0.021 0.000 0.253 521 V C 0.087 176.253 176.094 0.121 0.000 1.050 521 V CA 3.136 65.472 62.300 0.060 0.000 1.045 521 V CB -2.441 29.466 31.823 0.140 0.000 0.670 521 V HN 0.678 nan 8.190 nan 0.000 0.469 522 P HA -0.078 nan 4.420 nan 0.000 0.220 522 P C 1.813 179.323 177.300 0.349 0.000 1.154 522 P CA 1.151 64.499 63.100 0.413 0.000 0.837 522 P CB -0.146 31.871 31.700 0.528 0.000 0.815 523 F N 3.595 123.518 119.950 -0.046 0.000 2.147 523 F HA -0.254 4.260 4.527 -0.022 0.000 0.301 523 F C 2.025 177.712 175.800 -0.188 0.000 1.084 523 F CA 2.407 60.218 58.000 -0.316 0.000 1.268 523 F CB -0.414 38.394 39.000 -0.320 0.000 1.009 523 F HN -0.111 nan 8.300 nan 0.000 0.486 524 K N -1.396 118.944 120.400 -0.100 0.000 2.442 524 K HA -0.198 4.110 4.320 -0.021 0.000 0.198 524 K C 0.930 177.244 176.600 -0.477 0.000 1.044 524 K CA 1.820 57.908 56.287 -0.332 0.000 0.948 524 K CB -0.799 31.410 32.500 -0.484 0.000 0.762 524 K HN 0.383 nan 8.250 nan 0.000 0.472 525 Y N -0.718 119.517 120.300 -0.107 0.000 2.458 525 Y HA 0.222 4.761 4.550 -0.019 0.000 0.254 525 Y C -0.038 175.761 175.900 -0.170 0.000 1.120 525 Y CA -1.081 56.959 58.100 -0.100 0.000 1.282 525 Y CB 0.049 38.501 38.460 -0.014 0.000 1.109 525 Y HN -0.124 nan 8.280 nan 0.000 0.526 526 Y N 3.578 123.658 120.300 -0.366 0.000 2.597 526 Y HA 0.091 4.629 4.550 -0.020 0.000 0.336 526 Y C -1.839 173.637 175.900 -0.707 0.000 1.216 526 Y CA -3.421 54.255 58.100 -0.707 0.000 1.463 526 Y CB -0.303 37.837 38.460 -0.533 0.000 1.303 526 Y HN -0.033 nan 8.280 nan 0.000 0.576 527 P HA -0.018 nan 4.420 nan 0.000 0.269 527 P C 0.281 177.231 177.300 -0.582 0.000 1.209 527 P CA 0.009 62.690 63.100 -0.698 0.000 0.776 527 P CB 0.857 31.942 31.700 -1.027 0.000 0.876 528 E N 1.518 121.505 120.200 -0.354 0.000 2.160 528 E HA -0.182 4.156 4.350 -0.021 0.000 0.195 528 E C 1.496 177.994 176.600 -0.169 0.000 0.991 528 E CA 1.015 57.296 56.400 -0.199 0.000 0.810 528 E CB -0.523 29.120 29.700 -0.095 0.000 0.742 528 E HN 0.608 nan 8.360 nan 0.000 0.466 529 F N -1.898 117.928 119.950 -0.207 0.000 2.664 529 F HA -0.033 4.482 4.527 -0.020 0.000 0.297 529 F C 1.543 177.265 175.800 -0.130 0.000 1.164 529 F CA -0.067 57.704 58.000 -0.381 0.000 1.472 529 F CB -0.168 38.466 39.000 -0.610 0.000 1.108 529 F HN -0.192 nan 8.300 nan 0.000 0.596 530 V N 0.000 119.909 119.914 -0.008 0.000 2.719 530 V HA -0.153 3.955 4.120 -0.021 0.000 0.252 530 V C 2.061 178.284 176.094 0.216 0.000 1.065 530 V CA 1.285 63.691 62.300 0.177 0.000 1.086 530 V CB 0.450 32.365 31.823 0.153 0.000 0.700 530 V HN 0.423 nan 8.190 nan 0.000 0.467 531 V N -0.995 119.032 119.914 0.189 0.000 2.788 531 V HA -0.011 4.096 4.120 -0.021 0.000 0.241 531 V C 2.203 178.462 176.094 0.274 0.000 1.083 531 V CA 1.174 63.653 62.300 0.298 0.000 1.103 531 V CB 0.169 32.187 31.823 0.324 0.000 0.800 531 V HN 0.539 nan 8.190 nan 0.000 0.476 532 E N 0.892 121.193 120.200 0.168 0.000 2.153 532 E HA -0.170 4.168 4.350 -0.021 0.000 0.194 532 E C 2.161 178.903 176.600 0.236 0.000 0.988 532 E CA 1.438 57.937 56.400 0.164 0.000 0.811 532 E CB -0.288 29.445 29.700 0.054 0.000 0.746 532 E HN 0.563 nan 8.360 nan 0.000 0.466 533 G N 1.319 110.253 108.800 0.223 0.000 2.453 533 G HA2 -0.200 3.747 3.960 -0.021 0.000 0.215 533 G HA3 -0.200 3.747 3.960 -0.021 0.000 0.215 533 G C -0.794 174.288 174.900 0.304 0.000 1.201 533 G CA 0.831 46.105 45.100 0.291 0.000 0.784 533 G HN 0.325 nan 8.290 nan 0.000 0.545 534 P HA -0.068 nan 4.420 nan 0.000 0.215 534 P C 2.149 179.679 177.300 0.383 0.000 1.157 534 P CA 0.772 64.046 63.100 0.289 0.000 0.868 534 P CB -0.104 31.802 31.700 0.344 0.000 0.788 535 V N -0.432 119.772 119.914 0.483 0.000 2.453 535 V HA -0.179 3.928 4.120 -0.021 0.000 0.247 535 V C 1.939 178.231 176.094 0.330 0.000 1.048 535 V CA 1.872 64.454 62.300 0.470 0.000 1.049 535 V CB -1.041 31.028 31.823 0.410 0.000 0.672 535 V HN 0.051 nan 8.190 nan 0.000 0.457 536 N N -0.513 118.366 118.700 0.298 0.000 2.120 536 N HA -0.200 4.528 4.740 -0.021 0.000 0.188 536 N C 1.680 177.336 175.510 0.244 0.000 1.024 536 N CA 2.041 55.238 53.050 0.244 0.000 0.852 536 N CB -0.571 38.057 38.487 0.236 0.000 1.003 536 N HN 0.703 nan 8.380 nan 0.000 0.424 537 Y N 1.694 122.101 120.300 0.178 0.000 2.114 537 Y HA -0.160 4.377 4.550 -0.021 0.000 0.284 537 Y C 2.423 178.423 175.900 0.166 0.000 1.143 537 Y CA 1.737 59.936 58.100 0.165 0.000 1.135 537 Y CB -0.441 38.116 38.460 0.163 0.000 0.980 537 Y HN -0.020 nan 8.280 nan 0.000 0.499 538 S N 0.614 116.453 115.700 0.231 0.000 2.368 538 S HA -0.198 4.259 4.470 -0.021 0.000 0.225 538 S C 2.056 176.682 174.600 0.044 0.000 1.030 538 S CA 1.629 59.895 58.200 0.110 0.000 0.999 538 S CB -0.631 62.724 63.200 0.260 0.000 0.844 538 S HN 0.456 nan 8.310 nan 0.000 0.459 539 L N -0.324 120.973 121.223 0.125 0.000 2.056 539 L HA -0.121 4.206 4.340 -0.021 0.000 0.207 539 L C 2.348 179.225 176.870 0.012 0.000 1.078 539 L CA 1.467 56.366 54.840 0.098 0.000 0.749 539 L CB -0.478 41.662 42.059 0.135 0.000 0.901 539 L HN 0.333 nan 8.230 nan 0.000 0.433 540 Y N 1.554 121.785 120.300 -0.114 0.000 2.089 540 Y HA -0.264 4.273 4.550 -0.021 0.000 0.282 540 Y C 2.336 178.104 175.900 -0.219 0.000 1.139 540 Y CA 1.939 59.928 58.100 -0.186 0.000 1.123 540 Y CB -0.208 38.097 38.460 -0.259 0.000 0.980 540 Y HN 0.179 nan 8.280 nan 0.000 0.493 541 I N -1.053 119.249 120.570 -0.446 0.000 3.083 541 I HA -0.069 4.088 4.170 -0.021 0.000 0.273 541 I C 1.920 177.903 176.117 -0.223 0.000 1.297 541 I CA 1.096 62.165 61.300 -0.385 0.000 1.452 541 I CB -1.487 36.218 38.000 -0.493 0.000 1.078 541 I HN 0.026 nan 8.210 nan 0.000 0.484 542 S N 1.445 117.009 115.700 -0.226 0.000 2.469 542 S HA -0.141 4.317 4.470 -0.021 0.000 0.238 542 S C 1.828 176.338 174.600 -0.149 0.000 0.998 542 S CA 1.317 59.435 58.200 -0.137 0.000 0.957 542 S CB -0.439 62.747 63.200 -0.024 0.000 0.764 542 S HN 0.792 nan 8.310 nan 0.000 0.514 543 K N -0.095 120.156 120.400 -0.248 0.000 2.418 543 K HA 0.034 4.342 4.320 -0.021 0.000 0.195 543 K C -0.361 176.030 176.600 -0.348 0.000 1.035 543 K CA 0.259 56.357 56.287 -0.316 0.000 1.003 543 K CB -0.129 32.097 32.500 -0.456 0.000 0.793 543 K HN 0.253 nan 8.250 nan 0.000 0.494 544 Y N 1.967 122.108 120.300 -0.264 0.000 2.309 544 Y HA 0.030 4.567 4.550 -0.021 0.000 0.327 544 Y C 1.572 177.366 175.900 -0.177 0.000 1.172 544 Y CA -0.508 57.478 58.100 -0.191 0.000 1.280 544 Y CB 1.492 39.851 38.460 -0.168 0.000 1.234 544 Y HN -0.006 nan 8.280 nan 0.000 0.512 545 Q N 1.161 120.963 119.800 0.003 0.000 2.224 545 Q HA -0.119 4.208 4.340 -0.021 0.000 0.203 545 Q C 1.356 177.312 176.000 -0.074 0.000 0.970 545 Q CA 1.840 57.595 55.803 -0.080 0.000 0.865 545 Q CB -0.096 28.608 28.738 -0.057 0.000 0.922 545 Q HN 0.781 nan 8.270 nan 0.000 0.445 546 T N -2.456 112.103 114.554 0.009 0.000 3.260 546 T HA 0.328 4.666 4.350 -0.021 0.000 0.254 546 T C 0.209 174.898 174.700 -0.020 0.000 0.951 546 T CA -0.075 62.026 62.100 0.001 0.000 0.918 546 T CB 0.015 68.900 68.868 0.028 0.000 1.098 546 T HN 0.098 nan 8.240 nan 0.000 0.563 547 S N 2.286 117.957 115.700 -0.048 0.000 2.558 547 S HA 0.146 4.603 4.470 -0.021 0.000 0.288 547 S C -1.223 173.316 174.600 -0.101 0.000 1.318 547 S CA -1.014 57.126 58.200 -0.099 0.000 1.056 547 S CB 0.746 63.852 63.200 -0.157 0.000 0.853 547 S HN 0.250 nan 8.310 nan 0.000 0.505 548 P HA 0.008 nan 4.420 nan 0.000 0.219 548 P C 1.174 178.351 177.300 -0.205 0.000 1.150 548 P CA 0.940 63.992 63.100 -0.079 0.000 0.814 548 P CB 0.067 31.788 31.700 0.035 0.000 0.787 549 I N -2.281 117.976 120.570 -0.521 0.000 2.252 549 I HA -0.141 4.017 4.170 -0.021 0.000 0.245 549 I C 1.215 177.116 176.117 -0.361 0.000 1.102 549 I CA 0.377 61.291 61.300 -0.644 0.000 1.385 549 I CB -0.489 37.080 38.000 -0.719 0.000 1.064 549 I HN -0.111 nan 8.210 nan 0.000 0.414 550 F N 2.479 122.108 119.950 -0.535 0.000 2.578 550 F HA 0.093 4.608 4.527 -0.021 0.000 0.381 550 F C 1.124 176.782 175.800 -0.237 0.000 1.069 550 F CA -0.291 57.374 58.000 -0.559 0.000 1.231 550 F CB 0.085 38.788 39.000 -0.495 0.000 1.086 550 F HN -0.029 nan 8.300 nan 0.000 0.564 551 R N 2.273 122.224 120.500 -0.915 0.000 3.516 551 R HA -0.298 4.030 4.340 -0.021 0.000 0.271 551 R C -0.998 175.196 176.300 -0.178 0.000 1.098 551 R CA 0.623 56.411 56.100 -0.519 0.000 0.732 551 R CB -2.056 27.979 30.300 -0.443 0.000 1.152 551 R HN 0.633 nan 8.270 nan 0.000 0.455 552 N N 0.337 118.981 118.700 -0.093 0.000 2.438 552 N HA 0.236 4.964 4.740 -0.021 0.000 0.282 552 N C -1.367 174.174 175.510 0.051 0.000 1.037 552 N CA -1.882 51.187 53.050 0.032 0.000 0.942 552 N CB 1.328 39.909 38.487 0.155 0.000 1.136 552 N HN -0.076 nan 8.380 nan 0.000 0.481 553 P HA -0.024 nan 4.420 nan 0.000 0.226 553 P C 0.324 177.665 177.300 0.068 0.000 1.153 553 P CA 0.902 64.025 63.100 0.038 0.000 0.777 553 P CB 0.507 32.218 31.700 0.019 0.000 0.794 554 R N -0.842 119.716 120.500 0.097 0.000 2.334 554 R HA 0.248 4.576 4.340 -0.021 0.000 0.216 554 R C 2.272 178.668 176.300 0.160 0.000 0.905 554 R CA -0.309 55.852 56.100 0.103 0.000 1.064 554 R CB -0.398 29.935 30.300 0.055 0.000 1.046 554 R HN 0.185 nan 8.270 nan 0.000 0.508 555 L N 0.651 122.017 121.223 0.238 0.000 2.051 555 L HA -0.196 4.132 4.340 -0.021 0.000 0.214 555 L C 2.144 179.189 176.870 0.291 0.000 1.076 555 L CA 1.864 56.918 54.840 0.356 0.000 0.758 555 L CB -0.720 41.533 42.059 0.323 0.000 0.890 555 L HN 0.357 nan 8.230 nan 0.000 0.433 556 G N -1.244 107.673 108.800 0.195 0.000 2.545 556 G HA2 -0.344 3.603 3.960 -0.021 0.000 0.222 556 G HA3 -0.344 3.603 3.960 -0.021 0.000 0.222 556 G C 1.616 176.638 174.900 0.204 0.000 1.126 556 G CA 1.107 46.310 45.100 0.172 0.000 0.754 556 G HN 0.458 nan 8.290 nan 0.000 0.583 557 S N -0.029 115.796 115.700 0.209 0.000 2.359 557 S HA -0.118 4.340 4.470 -0.021 0.000 0.224 557 S C 1.919 176.689 174.600 0.284 0.000 1.035 557 S CA 1.267 59.601 58.200 0.224 0.000 1.018 557 S CB -0.357 62.954 63.200 0.186 0.000 0.876 557 S HN 0.390 nan 8.310 nan 0.000 0.448 558 F N 1.878 121.919 119.950 0.150 0.000 2.186 558 F HA -0.031 4.485 4.527 -0.019 0.000 0.299 558 F C 2.130 178.091 175.800 0.268 0.000 1.090 558 F CA 0.575 58.707 58.000 0.220 0.000 1.307 558 F CB -0.461 38.676 39.000 0.229 0.000 1.019 558 F HN -0.048 nan 8.300 nan 0.000 0.489 559 V N 0.271 120.340 119.914 0.260 0.000 2.343 559 V HA -0.283 3.825 4.120 -0.021 0.000 0.247 559 V C 2.188 178.329 176.094 0.077 0.000 1.051 559 V CA 2.215 64.612 62.300 0.161 0.000 1.036 559 V CB -0.621 31.324 31.823 0.203 0.000 0.654 559 V HN 0.311 nan 8.190 nan 0.000 0.451 560 E N -0.484 119.780 120.200 0.106 0.000 2.058 560 E HA -0.264 4.073 4.350 -0.021 0.000 0.194 560 E C 2.069 178.642 176.600 -0.045 0.000 0.997 560 E CA 1.732 58.159 56.400 0.044 0.000 0.801 560 E CB -0.298 29.462 29.700 0.101 0.000 0.746 560 E HN 0.600 nan 8.360 nan 0.000 0.450 561 F N 1.981 121.839 119.950 -0.154 0.000 2.095 561 F HA -0.225 4.290 4.527 -0.019 0.000 0.298 561 F C 2.313 177.950 175.800 -0.271 0.000 1.104 561 F CA 1.810 59.675 58.000 -0.224 0.000 1.232 561 F CB -0.693 38.196 39.000 -0.186 0.000 0.987 561 F HN -0.120 nan 8.300 nan 0.000 0.475 562 T N -0.245 114.041 114.554 -0.446 0.000 2.635 562 T HA -0.222 4.116 4.350 -0.021 0.000 0.267 562 T C 1.895 176.352 174.700 -0.405 0.000 1.040 562 T CA 2.366 64.166 62.100 -0.501 0.000 1.156 562 T CB -0.815 67.856 68.868 -0.329 0.000 0.863 562 T HN 0.334 nan 8.240 nan 0.000 0.430 563 T N 2.297 116.699 114.554 -0.255 0.000 2.684 563 T HA -0.116 4.221 4.350 -0.021 0.000 0.267 563 T C 1.937 176.477 174.700 -0.266 0.000 1.036 563 T CA 1.517 63.495 62.100 -0.203 0.000 1.148 563 T CB -0.423 68.381 68.868 -0.107 0.000 0.863 563 T HN 0.342 nan 8.240 nan 0.000 0.436 564 M N 0.819 120.220 119.600 -0.331 0.000 2.082 564 M HA -0.149 4.318 4.480 -0.021 0.000 0.258 564 M C 2.172 178.229 176.300 -0.405 0.000 1.069 564 M CA 1.713 56.792 55.300 -0.368 0.000 1.102 564 M CB -0.363 31.983 32.600 -0.423 0.000 1.336 564 M HN 0.099 nan 8.290 nan 0.000 0.404 565 V N 0.646 120.236 119.914 -0.540 0.000 2.307 565 V HA -0.252 3.856 4.120 -0.021 0.000 0.245 565 V C 2.239 178.128 176.094 -0.342 0.000 1.045 565 V CA 1.283 63.298 62.300 -0.475 0.000 1.024 565 V CB -0.646 30.816 31.823 -0.603 0.000 0.651 565 V HN 0.459 nan 8.190 nan 0.000 0.449 566 L N -0.339 120.670 121.223 -0.355 0.000 2.549 566 L HA 0.013 4.341 4.340 -0.021 0.000 0.229 566 L C 2.203 178.987 176.870 -0.142 0.000 1.158 566 L CA 1.516 56.166 54.840 -0.317 0.000 0.842 566 L CB -0.884 40.983 42.059 -0.319 0.000 0.952 566 L HN 0.165 nan 8.230 nan 0.000 0.452 567 R N -1.666 118.749 120.500 -0.141 0.000 2.195 567 R HA 0.204 4.531 4.340 -0.021 0.000 0.197 567 R C -0.124 176.147 176.300 -0.048 0.000 0.990 567 R CA 0.380 56.446 56.100 -0.058 0.000 1.048 567 R CB 0.017 30.246 30.300 -0.118 0.000 0.997 567 R HN 0.231 nan 8.270 nan 0.000 0.502 568 C N 2.489 121.721 119.300 -0.113 0.000 2.357 568 C HA 0.389 4.837 4.460 -0.021 0.000 0.300 568 C C -1.685 173.263 174.990 -0.069 0.000 1.074 568 C CA -1.372 57.589 59.018 -0.095 0.000 1.566 568 C CB 1.152 28.795 27.740 -0.162 0.000 1.791 568 C HN 0.186 nan 8.230 nan 0.000 0.415 569 P HA -0.175 nan 4.420 nan 0.000 0.223 569 P C 0.958 178.267 177.300 0.015 0.000 1.140 569 P CA 1.419 64.540 63.100 0.035 0.000 0.783 569 P CB 0.143 31.899 31.700 0.094 0.000 0.759 570 E N -1.150 119.041 120.200 -0.014 0.000 2.230 570 E HA -0.014 4.323 4.350 -0.021 0.000 0.192 570 E C 1.810 178.390 176.600 -0.034 0.000 0.987 570 E CA 0.386 56.769 56.400 -0.029 0.000 0.841 570 E CB -0.816 28.855 29.700 -0.048 0.000 0.783 570 E HN 0.219 nan 8.360 nan 0.000 0.481 571 L N 0.546 121.738 121.223 -0.051 0.000 1.994 571 L HA -0.007 4.320 4.340 -0.021 0.000 0.208 571 L C 1.015 177.973 176.870 0.148 0.000 1.071 571 L CA 0.750 55.597 54.840 0.012 0.000 0.745 571 L CB -0.092 41.871 42.059 -0.161 0.000 0.892 571 L HN 0.125 nan 8.230 nan 0.000 0.431 572 V N -0.471 119.475 119.914 0.055 0.000 2.488 572 V HA 0.153 4.261 4.120 -0.021 0.000 0.293 572 V C 0.933 177.037 176.094 0.018 0.000 1.027 572 V CA 0.046 62.372 62.300 0.043 0.000 0.862 572 V CB 1.774 33.629 31.823 0.052 0.000 1.008 572 V HN 0.359 nan 8.190 nan 0.000 0.428 573 S N 4.760 120.466 115.700 0.009 0.000 2.356 573 S HA -0.116 4.342 4.470 -0.021 0.000 0.223 573 S C 1.153 175.785 174.600 0.053 0.000 1.032 573 S CA 1.143 59.357 58.200 0.023 0.000 1.005 573 S CB -0.577 62.621 63.200 -0.003 0.000 0.867 573 S HN 0.836 nan 8.310 nan 0.000 0.449 574 N N 4.207 122.937 118.700 0.050 0.000 2.347 574 N HA 0.022 4.749 4.740 -0.021 0.000 0.278 574 N C -1.378 174.214 175.510 0.136 0.000 1.367 574 N CA -0.790 52.313 53.050 0.089 0.000 0.898 574 N CB 1.017 39.558 38.487 0.089 0.000 1.203 574 N HN 0.293 nan 8.380 nan 0.000 0.491 575 P HA -0.125 nan 4.420 nan 0.000 0.219 575 P C 1.000 178.467 177.300 0.279 0.000 1.150 575 P CA 1.127 64.379 63.100 0.253 0.000 0.814 575 P CB 0.217 32.024 31.700 0.179 0.000 0.787 576 H N 0.245 119.394 119.070 0.131 0.000 2.321 576 H HA -0.091 4.452 4.556 -0.022 0.000 0.300 576 H C 1.923 177.326 175.328 0.124 0.000 1.087 576 H CA 1.318 57.440 56.048 0.124 0.000 1.319 576 H CB -0.853 28.971 29.762 0.104 0.000 1.379 576 H HN -0.120 nan 8.280 nan 0.000 0.501 577 L N 0.965 122.262 121.223 0.123 0.000 2.046 577 L HA -0.127 4.200 4.340 -0.021 0.000 0.208 577 L C 1.986 178.857 176.870 0.001 0.000 1.077 577 L CA 1.845 56.714 54.840 0.048 0.000 0.747 577 L CB -0.496 41.614 42.059 0.084 0.000 0.896 577 L HN 0.205 nan 8.230 nan 0.000 0.432 578 K N -1.005 119.389 120.400 -0.009 0.000 2.148 578 K HA -0.053 4.254 4.320 -0.021 0.000 0.204 578 K C 1.980 178.501 176.600 -0.132 0.000 1.050 578 K CA 0.973 57.144 56.287 -0.193 0.000 0.942 578 K CB -0.548 31.695 32.500 -0.428 0.000 0.724 578 K HN 0.531 nan 8.250 nan 0.000 0.446 579 G N 1.991 110.869 108.800 0.130 0.000 2.422 579 G HA2 -0.257 3.691 3.960 -0.021 0.000 0.218 579 G HA3 -0.257 3.691 3.960 -0.021 0.000 0.218 579 G C 1.352 176.292 174.900 0.067 0.000 1.146 579 G CA 0.667 45.885 45.100 0.198 0.000 0.769 579 G HN 0.227 nan 8.290 nan 0.000 0.547 580 K N -0.196 120.202 120.400 -0.003 0.000 2.026 580 K HA 0.051 4.359 4.320 -0.021 0.000 0.208 580 K C 2.512 179.150 176.600 0.064 0.000 1.048 580 K CA 0.842 57.142 56.287 0.022 0.000 0.929 580 K CB -0.312 32.196 32.500 0.014 0.000 0.713 580 K HN 0.255 nan 8.250 nan 0.000 0.439 581 L N 0.418 121.655 121.223 0.024 0.000 1.989 581 L HA -0.209 4.118 4.340 -0.021 0.000 0.211 581 L C 2.379 179.248 176.870 -0.001 0.000 1.071 581 L CA 0.968 55.813 54.840 0.008 0.000 0.749 581 L CB -0.503 41.485 42.059 -0.119 0.000 0.890 581 L HN 0.021 nan 8.230 nan 0.000 0.431 582 V N -0.498 119.391 119.914 -0.043 0.000 2.594 582 V HA -0.309 3.799 4.120 -0.021 0.000 0.253 582 V C 2.465 178.598 176.094 0.064 0.000 1.069 582 V CA 1.717 64.018 62.300 0.003 0.000 1.082 582 V CB -0.200 31.671 31.823 0.079 0.000 0.680 582 V HN 0.522 nan 8.190 nan 0.000 0.469 583 Q N -1.131 118.720 119.800 0.085 0.000 2.187 583 Q HA -0.159 4.169 4.340 -0.021 0.000 0.199 583 Q C 2.183 178.251 176.000 0.115 0.000 0.957 583 Q CA 1.337 57.202 55.803 0.104 0.000 0.857 583 Q CB -0.017 28.784 28.738 0.105 0.000 0.929 583 Q HN 0.567 nan 8.270 nan 0.000 0.453 584 L N 0.531 121.835 121.223 0.136 0.000 2.046 584 L HA -0.160 4.168 4.340 -0.021 0.000 0.208 584 L C 1.892 178.859 176.870 0.162 0.000 1.077 584 L CA 1.400 56.351 54.840 0.186 0.000 0.747 584 L CB -0.659 41.566 42.059 0.276 0.000 0.896 584 L HN 0.218 nan 8.230 nan 0.000 0.432 585 L N -0.319 120.987 121.223 0.138 0.000 2.046 585 L HA -0.182 4.146 4.340 -0.021 0.000 0.208 585 L C 2.921 179.855 176.870 0.107 0.000 1.077 585 L CA 2.036 56.971 54.840 0.159 0.000 0.747 585 L CB -1.367 40.748 42.059 0.093 0.000 0.896 585 L HN 0.603 nan 8.230 nan 0.000 0.432 586 S N -1.583 114.155 115.700 0.063 0.000 2.383 586 S HA -0.177 4.281 4.470 -0.021 0.000 0.229 586 S C 2.039 176.661 174.600 0.036 0.000 1.030 586 S CA 1.446 59.667 58.200 0.035 0.000 1.002 586 S CB -1.029 62.194 63.200 0.039 0.000 0.829 586 S HN 0.178 nan 8.310 nan 0.000 0.467 587 V N 2.157 122.107 119.914 0.060 0.000 2.343 587 V HA -0.025 4.083 4.120 -0.021 0.000 0.247 587 V C 2.780 178.829 176.094 -0.075 0.000 1.051 587 V CA 1.840 64.184 62.300 0.074 0.000 1.036 587 V CB -1.483 30.435 31.823 0.158 0.000 0.654 587 V HN 0.697 nan 8.190 nan 0.000 0.451 588 G N -1.337 107.297 108.800 -0.277 0.000 2.848 588 G HA2 0.163 4.110 3.960 -0.021 0.000 0.208 588 G HA3 0.163 4.110 3.960 -0.021 0.000 0.208 588 G C 1.260 175.872 174.900 -0.480 0.000 1.152 588 G CA 0.781 45.320 45.100 -0.935 0.000 0.789 588 G HN 0.598 nan 8.290 nan 0.000 0.531 589 A N -0.219 122.532 122.820 -0.115 0.000 2.259 589 A HA 0.520 4.828 4.320 -0.021 0.000 0.213 589 A C 1.214 178.802 177.584 0.007 0.000 1.209 589 A CA -0.268 51.786 52.037 0.028 0.000 0.910 589 A CB 0.033 19.098 19.000 0.109 0.000 0.946 589 A HN 0.309 nan 8.150 nan 0.000 0.497 590 M N 1.435 121.036 119.600 0.002 0.000 2.249 590 M HA 0.152 4.620 4.480 -0.021 0.000 0.340 590 M C -2.196 174.141 176.300 0.061 0.000 1.166 590 M CA -1.161 54.162 55.300 0.038 0.000 1.115 590 M CB 0.187 32.820 32.600 0.054 0.000 1.606 590 M HN 0.009 nan 8.290 nan 0.000 0.448 591 P HA 0.287 nan 4.420 nan 0.000 0.293 591 P C -0.822 176.526 177.300 0.080 0.000 1.298 591 P CA -0.328 62.818 63.100 0.077 0.000 0.757 591 P CB 0.539 32.282 31.700 0.071 0.000 1.262 592 L N -1.607 119.660 121.223 0.075 0.000 2.422 592 L HA 0.408 4.735 4.340 -0.021 0.000 0.263 592 L C 1.916 178.810 176.870 0.041 0.000 1.110 592 L CA 0.021 54.899 54.840 0.064 0.000 1.065 592 L CB -0.984 41.121 42.059 0.075 0.000 1.701 592 L HN 0.216 nan 8.230 nan 0.000 0.548 593 T N -0.498 114.073 114.554 0.028 0.000 2.770 593 T HA -0.114 4.224 4.350 -0.021 0.000 0.263 593 T C 1.004 175.715 174.700 0.019 0.000 1.039 593 T CA 1.721 63.831 62.100 0.017 0.000 1.142 593 T CB -0.367 68.505 68.868 0.008 0.000 0.868 593 T HN 0.770 nan 8.240 nan 0.000 0.435 594 D N 1.349 121.764 120.400 0.024 0.000 2.350 594 D HA -0.062 4.566 4.640 -0.021 0.000 0.216 594 D C 0.478 176.793 176.300 0.026 0.000 0.968 594 D CA 0.300 54.314 54.000 0.024 0.000 0.894 594 D CB -0.487 40.331 40.800 0.030 0.000 0.909 594 D HN 0.244 nan 8.370 nan 0.000 0.520 595 N N -0.666 118.054 118.700 0.033 0.000 2.869 595 N HA -0.141 4.587 4.740 -0.021 0.000 0.249 595 N C -0.810 174.727 175.510 0.045 0.000 1.104 595 N CA 0.952 54.023 53.050 0.034 0.000 0.760 595 N CB -1.903 36.594 38.487 0.017 0.000 1.108 595 N HN 0.495 nan 8.380 nan 0.000 0.555 596 S N -0.552 115.183 115.700 0.058 0.000 2.646 596 S HA 0.668 5.126 4.470 -0.021 0.000 0.276 596 S C -2.457 172.192 174.600 0.083 0.000 1.222 596 S CA -1.226 57.014 58.200 0.068 0.000 1.014 596 S CB 1.826 65.071 63.200 0.074 0.000 0.991 596 S HN -0.125 nan 8.310 nan 0.000 0.533 597 P HA 0.114 nan 4.420 nan 0.000 0.266 597 P C 0.570 177.923 177.300 0.089 0.000 1.180 597 P CA 0.540 63.689 63.100 0.080 0.000 0.765 597 P CB -0.037 31.707 31.700 0.073 0.000 0.806 598 G N 1.847 110.680 108.800 0.056 0.000 2.664 598 G HA2 0.096 4.044 3.960 -0.021 0.000 0.242 598 G HA3 0.096 4.044 3.960 -0.021 0.000 0.242 598 G C 0.531 175.430 174.900 -0.001 0.000 1.225 598 G CA -0.522 44.592 45.100 0.024 0.000 0.849 598 G HN 0.608 nan 8.290 nan 0.000 0.581 599 F N -1.345 118.643 119.950 0.064 0.000 2.641 599 F HA 0.192 4.707 4.527 -0.020 0.000 0.298 599 F C 1.941 177.644 175.800 -0.161 0.000 1.146 599 F CA 0.535 58.509 58.000 -0.042 0.000 1.464 599 F CB -0.091 38.899 39.000 -0.016 0.000 1.101 599 F HN 0.204 nan 8.300 nan 0.000 0.585 600 M N -0.384 118.862 119.600 -0.590 0.000 2.333 600 M HA 0.104 4.572 4.480 -0.021 0.000 0.257 600 M C 1.465 177.220 176.300 -0.908 0.000 1.078 600 M CA -0.069 54.777 55.300 -0.757 0.000 1.005 600 M CB 0.114 32.071 32.600 -1.071 0.000 1.444 600 M HN 0.152 nan 8.290 nan 0.000 0.496 601 M N 0.394 119.739 119.600 -0.425 0.000 2.080 601 M HA -0.223 4.245 4.480 -0.021 0.000 0.260 601 M C 1.539 177.802 176.300 -0.061 0.000 1.068 601 M CA 1.938 57.155 55.300 -0.140 0.000 1.109 601 M CB -1.298 31.310 32.600 0.014 0.000 1.342 601 M HN 0.260 nan 8.290 nan 0.000 0.405 602 D N 0.451 120.828 120.400 -0.038 0.000 2.104 602 D HA -0.141 4.486 4.640 -0.021 0.000 0.194 602 D C 1.937 178.300 176.300 0.105 0.000 0.994 602 D CA 1.317 55.373 54.000 0.093 0.000 0.830 602 D CB -0.023 40.827 40.800 0.084 0.000 0.959 602 D HN 0.374 nan 8.370 nan 0.000 0.452 603 I N -0.423 120.122 120.570 -0.040 0.000 2.226 603 I HA -0.237 3.921 4.170 -0.021 0.000 0.245 603 I C 1.778 177.959 176.117 0.107 0.000 1.100 603 I CA 0.530 61.828 61.300 -0.002 0.000 1.374 603 I CB -0.298 37.640 38.000 -0.104 0.000 1.057 603 I HN 0.042 nan 8.210 nan 0.000 0.413 604 F N 1.049 121.037 119.950 0.062 0.000 2.161 604 F HA -0.222 4.294 4.527 -0.019 0.000 0.300 604 F C 2.575 178.492 175.800 0.194 0.000 1.089 604 F CA 1.582 59.636 58.000 0.090 0.000 1.282 604 F CB -0.969 38.002 39.000 -0.048 0.000 1.010 604 F HN 0.213 nan 8.300 nan 0.000 0.485 605 E N -0.782 119.563 120.200 0.242 0.000 2.076 605 E HA -0.156 4.181 4.350 -0.021 0.000 0.190 605 E C 1.481 177.913 176.600 -0.280 0.000 0.979 605 E CA 1.214 57.597 56.400 -0.027 0.000 0.807 605 E CB -0.126 29.427 29.700 -0.245 0.000 0.761 605 E HN 0.502 nan 8.360 nan 0.000 0.454 606 H N -0.447 118.682 119.070 0.098 0.000 2.648 606 H HA 0.178 4.722 4.556 -0.020 0.000 0.265 606 H C -0.140 175.218 175.328 0.051 0.000 0.961 606 H CA 0.169 56.249 56.048 0.054 0.000 1.185 606 H CB 0.443 30.227 29.762 0.036 0.000 1.449 606 H HN 0.024 nan 8.280 nan 0.000 0.523 607 D N 1.500 121.992 120.400 0.153 0.000 2.325 607 D HA -0.037 4.590 4.640 -0.021 0.000 0.251 607 D C 0.722 177.072 176.300 0.083 0.000 1.196 607 D CA 0.171 54.245 54.000 0.123 0.000 0.866 607 D CB 0.899 41.779 40.800 0.133 0.000 1.101 607 D HN 0.376 nan 8.370 nan 0.000 0.476 608 E N 2.343 122.579 120.200 0.059 0.000 2.049 608 E HA -0.229 4.109 4.350 -0.021 0.000 0.198 608 E C 1.704 178.305 176.600 0.002 0.000 1.007 608 E CA 0.879 57.289 56.400 0.018 0.000 0.809 608 E CB 0.100 29.810 29.700 0.018 0.000 0.749 608 E HN 0.396 nan 8.360 nan 0.000 0.450 609 L N 0.491 121.729 121.223 0.025 0.000 2.275 609 L HA -0.123 4.205 4.340 -0.021 0.000 0.215 609 L C 1.992 178.854 176.870 -0.013 0.000 1.119 609 L CA 1.117 55.949 54.840 -0.012 0.000 0.790 609 L CB -0.016 42.036 42.059 -0.011 0.000 0.919 609 L HN -0.061 nan 8.230 nan 0.000 0.443 610 V N 0.462 120.403 119.914 0.046 0.000 2.300 610 V HA -0.171 3.936 4.120 -0.021 0.000 0.241 610 V C 2.121 178.274 176.094 0.098 0.000 1.034 610 V CA 1.433 63.789 62.300 0.094 0.000 1.021 610 V CB -0.908 31.041 31.823 0.211 0.000 0.662 610 V HN 0.693 nan 8.190 nan 0.000 0.458 611 N N 0.607 119.357 118.700 0.084 0.000 2.519 611 N HA -0.179 4.549 4.740 -0.021 0.000 0.186 611 N C 1.407 176.802 175.510 -0.191 0.000 1.062 611 N CA 1.234 54.246 53.050 -0.064 0.000 0.910 611 N CB -0.426 37.938 38.487 -0.206 0.000 0.958 611 N HN 0.420 nan 8.380 nan 0.000 0.445 612 K N -1.005 119.322 120.400 -0.123 0.000 2.400 612 K HA 0.136 4.443 4.320 -0.021 0.000 0.194 612 K C 0.172 176.685 176.600 -0.146 0.000 1.033 612 K CA 0.559 56.749 56.287 -0.162 0.000 1.021 612 K CB 0.198 32.611 32.500 -0.144 0.000 0.808 612 K HN 0.325 nan 8.250 nan 0.000 0.505 613 N N -0.682 117.966 118.700 -0.086 0.000 2.075 613 N HA 0.078 4.806 4.740 -0.021 0.000 0.226 613 N C 1.029 176.543 175.510 0.006 0.000 1.343 613 N CA -0.208 52.799 53.050 -0.072 0.000 0.881 613 N CB 0.345 38.761 38.487 -0.117 0.000 1.100 613 N HN -0.108 nan 8.380 nan 0.000 0.495 614 L N 1.021 122.271 121.223 0.044 0.000 1.971 614 L HA -0.170 4.158 4.340 -0.021 0.000 0.215 614 L C 1.952 178.845 176.870 0.039 0.000 1.072 614 L CA 1.574 56.426 54.840 0.020 0.000 0.758 614 L CB -0.280 41.785 42.059 0.009 0.000 0.889 614 L HN 0.296 nan 8.230 nan 0.000 0.433 615 L N -1.269 120.050 121.223 0.160 0.000 1.990 615 L HA -0.340 3.988 4.340 -0.021 0.000 0.213 615 L C 2.605 179.544 176.870 0.116 0.000 1.072 615 L CA 2.116 57.029 54.840 0.122 0.000 0.755 615 L CB -0.632 41.552 42.059 0.208 0.000 0.889 615 L HN 0.362 nan 8.230 nan 0.000 0.432 616 Y N 0.391 120.698 120.300 0.011 0.000 2.181 616 Y HA -0.262 4.273 4.550 -0.025 0.000 0.288 616 Y C 2.430 178.389 175.900 0.099 0.000 1.146 616 Y CA 1.573 59.689 58.100 0.026 0.000 1.164 616 Y CB -0.438 37.927 38.460 -0.160 0.000 0.982 616 Y HN 0.256 nan 8.280 nan 0.000 0.515 617 A N 0.455 123.444 122.820 0.282 0.000 1.883 617 A HA -0.191 4.117 4.320 -0.021 0.000 0.217 617 A C 2.326 179.991 177.584 0.135 0.000 1.186 617 A CA 2.025 54.174 52.037 0.186 0.000 0.624 617 A CB -1.198 17.828 19.000 0.044 0.000 0.822 617 A HN 0.542 nan 8.150 nan 0.000 0.444 618 L N -0.709 120.547 121.223 0.056 0.000 2.017 618 L HA -0.200 4.128 4.340 -0.021 0.000 0.208 618 L C 2.631 179.508 176.870 0.012 0.000 1.073 618 L CA 1.293 56.157 54.840 0.040 0.000 0.745 618 L CB -0.741 41.276 42.059 -0.070 0.000 0.894 618 L HN 0.371 nan 8.230 nan 0.000 0.432 619 L N -0.451 120.697 121.223 -0.125 0.000 2.083 619 L HA -0.250 4.078 4.340 -0.021 0.000 0.209 619 L C 2.432 179.195 176.870 -0.178 0.000 1.083 619 L CA 1.396 56.023 54.840 -0.356 0.000 0.752 619 L CB -0.609 41.242 42.059 -0.347 0.000 0.899 619 L HN 0.440 nan 8.230 nan 0.000 0.433 620 D N -0.166 120.268 120.400 0.057 0.000 2.137 620 D HA -0.207 4.421 4.640 -0.021 0.000 0.202 620 D C 2.111 178.506 176.300 0.159 0.000 0.970 620 D CA 0.863 54.928 54.000 0.108 0.000 0.837 620 D CB 0.179 41.142 40.800 0.271 0.000 0.981 620 D HN 0.208 nan 8.370 nan 0.000 0.475 621 F N 0.981 120.960 119.950 0.049 0.000 2.186 621 F HA -0.171 4.343 4.527 -0.022 0.000 0.299 621 F C 2.112 177.940 175.800 0.047 0.000 1.090 621 F CA 0.946 58.966 58.000 0.034 0.000 1.307 621 F CB -0.932 38.074 39.000 0.010 0.000 1.019 621 F HN -0.009 nan 8.300 nan 0.000 0.489 622 Y N -0.296 119.947 120.300 -0.096 0.000 2.241 622 Y HA -0.269 4.267 4.550 -0.024 0.000 0.286 622 Y C 2.084 177.869 175.900 -0.192 0.000 1.166 622 Y CA 1.988 59.999 58.100 -0.148 0.000 1.203 622 Y CB -0.263 38.215 38.460 0.030 0.000 0.977 622 Y HN -0.044 nan 8.280 nan 0.000 0.529 623 V N -0.267 119.688 119.914 0.069 0.000 2.500 623 V HA -0.214 3.894 4.120 -0.021 0.000 0.243 623 V C 2.142 178.169 176.094 -0.112 0.000 1.039 623 V CA 1.489 63.784 62.300 -0.009 0.000 1.053 623 V CB -0.239 31.567 31.823 -0.029 0.000 0.695 623 V HN 0.375 nan 8.190 nan 0.000 0.463 624 I N 1.247 121.748 120.570 -0.114 0.000 2.361 624 I HA -0.172 3.986 4.170 -0.021 0.000 0.251 624 I C 2.248 178.249 176.117 -0.192 0.000 1.133 624 I CA 1.474 62.719 61.300 -0.092 0.000 1.413 624 I CB -0.453 37.567 38.000 0.035 0.000 1.073 624 I HN 0.317 nan 8.210 nan 0.000 0.424 625 V N -0.962 118.690 119.914 -0.435 0.000 3.284 625 V HA -0.213 3.895 4.120 -0.021 0.000 0.273 625 V C 2.118 178.031 176.094 -0.302 0.000 1.178 625 V CA 1.669 63.702 62.300 -0.445 0.000 1.177 625 V CB -1.079 30.319 31.823 -0.709 0.000 0.793 625 V HN 0.366 nan 8.190 nan 0.000 0.536 626 E N 1.699 121.757 120.200 -0.237 0.000 2.208 626 E HA -0.070 4.268 4.350 -0.021 0.000 0.193 626 E C 1.629 178.190 176.600 -0.065 0.000 0.988 626 E CA 0.872 57.169 56.400 -0.172 0.000 0.828 626 E CB -0.231 29.396 29.700 -0.122 0.000 0.763 626 E HN 0.703 nan 8.360 nan 0.000 0.478 627 K N 0.351 120.725 120.400 -0.044 0.000 2.911 627 K HA 0.138 4.445 4.320 -0.021 0.000 0.239 627 K C -0.545 176.074 176.600 0.031 0.000 1.090 627 K CA 0.094 56.384 56.287 0.005 0.000 1.225 627 K CB 0.434 32.938 32.500 0.006 0.000 1.087 627 K HN -0.073 nan 8.250 nan 0.000 0.464 628 T N 0.354 114.939 114.554 0.053 0.000 2.829 628 T HA 0.503 4.840 4.350 -0.021 0.000 0.280 628 T C 0.091 174.947 174.700 0.261 0.000 0.999 628 T CA -0.846 61.317 62.100 0.105 0.000 0.983 628 T CB 1.818 70.721 68.868 0.058 0.000 0.968 628 T HN 0.315 nan 8.240 nan 0.000 0.446 629 G N 1.705 110.613 108.800 0.180 0.000 3.594 629 G HA2 0.483 4.431 3.960 -0.021 0.000 0.295 629 G HA3 0.483 4.431 3.960 -0.021 0.000 0.295 629 G C -0.394 174.519 174.900 0.021 0.000 1.576 629 G CA -0.434 44.721 45.100 0.092 0.000 0.661 629 G HN 0.643 nan 8.290 nan 0.000 0.452 630 S N -0.172 115.592 115.700 0.106 0.000 2.748 630 S HA 0.720 5.178 4.470 -0.021 0.000 0.299 630 S C 0.721 175.352 174.600 0.050 0.000 1.119 630 S CA -0.506 57.724 58.200 0.050 0.000 0.997 630 S CB 1.340 64.563 63.200 0.037 0.000 1.223 630 S HN 0.931 nan 8.310 nan 0.000 0.541 631 S N 0.601 116.317 115.700 0.027 0.000 2.592 631 S HA 0.516 4.973 4.470 -0.021 0.000 0.305 631 S C 0.109 174.738 174.600 0.048 0.000 1.118 631 S CA -0.415 57.803 58.200 0.030 0.000 1.075 631 S CB -0.035 63.174 63.200 0.015 0.000 1.107 631 S HN 0.683 nan 8.310 nan 0.000 0.503 632 S N 1.266 117.019 115.700 0.088 0.000 2.872 632 S HA -0.154 4.304 4.470 -0.021 0.000 0.270 632 S C 0.640 175.319 174.600 0.132 0.000 1.345 632 S CA 0.911 59.171 58.200 0.100 0.000 1.080 632 S CB -1.441 61.799 63.200 0.067 0.000 1.328 632 S HN 0.817 nan 8.310 nan 0.000 0.692 633 Q N -0.940 118.948 119.800 0.146 0.000 2.118 633 Q HA 0.325 4.653 4.340 -0.021 0.000 0.219 633 Q C 0.522 176.664 176.000 0.236 0.000 0.794 633 Q CA -0.273 55.622 55.803 0.155 0.000 1.035 633 Q CB 0.150 28.893 28.738 0.009 0.000 1.177 633 Q HN 0.537 nan 8.270 nan 0.000 0.478 634 F N 0.184 120.202 119.950 0.114 0.000 2.773 634 F HA 0.104 4.617 4.527 -0.024 0.000 0.304 634 F C 0.232 176.165 175.800 0.221 0.000 1.129 634 F CA 0.351 58.417 58.000 0.110 0.000 1.378 634 F CB 0.277 39.336 39.000 0.097 0.000 1.095 634 F HN 0.070 nan 8.300 nan 0.000 0.565 635 Y N -0.626 119.687 120.300 0.023 0.000 2.612 635 Y HA 0.245 4.783 4.550 -0.020 0.000 0.250 635 Y C 1.416 177.357 175.900 0.068 0.000 1.175 635 Y CA -0.295 57.842 58.100 0.062 0.000 1.205 635 Y CB -0.144 38.397 38.460 0.135 0.000 1.201 635 Y HN -0.074 nan 8.280 nan 0.000 0.532 636 D N -0.059 120.382 120.400 0.068 0.000 2.346 636 D HA -0.059 4.568 4.640 -0.021 0.000 0.206 636 D C 1.891 178.133 176.300 -0.096 0.000 1.001 636 D CA 0.604 54.638 54.000 0.057 0.000 0.871 636 D CB 0.341 41.248 40.800 0.178 0.000 0.943 636 D HN 0.515 nan 8.370 nan 0.000 0.518 637 K N -0.379 119.843 120.400 -0.298 0.000 2.288 637 K HA -0.070 4.238 4.320 -0.021 0.000 0.201 637 K C 1.425 177.700 176.600 -0.543 0.000 1.048 637 K CA 0.825 56.820 56.287 -0.486 0.000 0.956 637 K CB -0.304 31.795 32.500 -0.668 0.000 0.746 637 K HN -0.017 nan 8.250 nan 0.000 0.461 638 F N 2.015 121.765 119.950 -0.333 0.000 2.569 638 F HA 0.102 4.617 4.527 -0.019 0.000 0.295 638 F C 1.759 177.439 175.800 -0.199 0.000 1.115 638 F CA 0.323 58.121 58.000 -0.337 0.000 1.450 638 F CB -0.211 38.470 39.000 -0.532 0.000 1.107 638 F HN 0.075 nan 8.300 nan 0.000 0.563 639 N N -0.609 118.099 118.700 0.013 0.000 2.333 639 N HA -0.069 4.659 4.740 -0.021 0.000 0.178 639 N C 1.930 177.498 175.510 0.097 0.000 1.018 639 N CA 0.973 54.071 53.050 0.081 0.000 0.882 639 N CB -0.390 38.145 38.487 0.080 0.000 0.984 639 N HN 0.086 nan 8.380 nan 0.000 0.434 640 S N 1.219 116.921 115.700 0.002 0.000 2.368 640 S HA -0.021 4.436 4.470 -0.021 0.000 0.225 640 S C 1.927 176.499 174.600 -0.046 0.000 1.030 640 S CA 0.900 59.107 58.200 0.012 0.000 0.999 640 S CB 0.022 63.172 63.200 -0.084 0.000 0.844 640 S HN 0.333 nan 8.310 nan 0.000 0.459 641 R N -0.558 119.826 120.500 -0.193 0.000 2.115 641 R HA -0.034 4.293 4.340 -0.021 0.000 0.226 641 R C 2.180 178.500 176.300 0.033 0.000 1.100 641 R CA 1.164 57.091 56.100 -0.288 0.000 0.980 641 R CB -0.373 29.559 30.300 -0.613 0.000 0.875 641 R HN 0.472 nan 8.270 nan 0.000 0.445 642 Y N 1.274 121.562 120.300 -0.020 0.000 2.145 642 Y HA -0.221 4.316 4.550 -0.021 0.000 0.286 642 Y C 2.321 178.246 175.900 0.041 0.000 1.145 642 Y CA 1.687 59.801 58.100 0.025 0.000 1.148 642 Y CB -0.223 38.249 38.460 0.021 0.000 0.981 642 Y HN -0.092 nan 8.280 nan 0.000 0.507 643 S N 0.538 116.288 115.700 0.084 0.000 2.348 643 S HA -0.177 4.280 4.470 -0.021 0.000 0.221 643 S C 2.074 176.659 174.600 -0.024 0.000 1.033 643 S CA 1.657 59.868 58.200 0.017 0.000 1.010 643 S CB -0.557 62.709 63.200 0.111 0.000 0.891 643 S HN 0.494 nan 8.310 nan 0.000 0.442 644 I N 1.448 122.046 120.570 0.047 0.000 2.335 644 I HA -0.187 3.970 4.170 -0.021 0.000 0.251 644 I C 2.253 178.383 176.117 0.022 0.000 1.129 644 I CA 0.874 62.218 61.300 0.073 0.000 1.402 644 I CB -0.366 37.768 38.000 0.224 0.000 1.069 644 I HN 0.226 nan 8.210 nan 0.000 0.424 645 S N 0.716 116.426 115.700 0.017 0.000 2.387 645 S HA -0.040 4.418 4.470 -0.021 0.000 0.226 645 S C 1.982 176.478 174.600 -0.175 0.000 1.026 645 S CA 0.988 59.155 58.200 -0.056 0.000 0.972 645 S CB -0.163 63.010 63.200 -0.044 0.000 0.814 645 S HN 0.347 nan 8.310 nan 0.000 0.477 646 I N 1.403 121.829 120.570 -0.241 0.000 2.226 646 I HA -0.185 3.973 4.170 -0.021 0.000 0.245 646 I C 1.951 177.977 176.117 -0.153 0.000 1.100 646 I CA 1.201 62.366 61.300 -0.224 0.000 1.374 646 I CB -0.411 37.447 38.000 -0.237 0.000 1.057 646 I HN 0.265 nan 8.210 nan 0.000 0.413 647 I N -0.151 120.334 120.570 -0.141 0.000 2.202 647 I HA -0.278 3.880 4.170 -0.021 0.000 0.242 647 I C 2.441 178.440 176.117 -0.198 0.000 1.091 647 I CA 1.016 62.218 61.300 -0.164 0.000 1.368 647 I CB -0.350 37.531 38.000 -0.199 0.000 1.058 647 I HN 0.162 nan 8.210 nan 0.000 0.410 648 L N 0.938 122.055 121.223 -0.177 0.000 2.013 648 L HA -0.266 4.062 4.340 -0.021 0.000 0.212 648 L C 2.582 179.346 176.870 -0.177 0.000 1.073 648 L CA 1.910 56.657 54.840 -0.156 0.000 0.753 648 L CB -1.020 40.962 42.059 -0.128 0.000 0.890 648 L HN 0.330 nan 8.230 nan 0.000 0.432 649 E N -0.824 119.218 120.200 -0.262 0.000 2.038 649 E HA -0.242 4.096 4.350 -0.021 0.000 0.195 649 E C 1.986 178.305 176.600 -0.469 0.000 1.000 649 E CA 1.389 57.523 56.400 -0.444 0.000 0.803 649 E CB 0.044 29.526 29.700 -0.364 0.000 0.750 649 E HN 0.404 nan 8.360 nan 0.000 0.448 650 E N 0.642 120.720 120.200 -0.204 0.000 2.077 650 E HA -0.172 4.165 4.350 -0.021 0.000 0.193 650 E C 2.364 178.950 176.600 -0.023 0.000 0.989 650 E CA 0.760 57.138 56.400 -0.036 0.000 0.800 650 E CB -0.323 29.384 29.700 0.011 0.000 0.746 650 E HN 0.405 nan 8.360 nan 0.000 0.452 651 L N -0.264 120.896 121.223 -0.105 0.000 2.079 651 L HA -0.222 4.106 4.340 -0.021 0.000 0.210 651 L C 2.530 179.409 176.870 0.014 0.000 1.081 651 L CA 1.271 56.028 54.840 -0.139 0.000 0.752 651 L CB -0.448 41.380 42.059 -0.384 0.000 0.896 651 L HN 0.147 nan 8.230 nan 0.000 0.433 652 Y N -0.896 119.339 120.300 -0.108 0.000 2.293 652 Y HA -0.264 4.273 4.550 -0.021 0.000 0.291 652 Y C 2.247 178.184 175.900 0.062 0.000 1.137 652 Y CA 1.500 59.583 58.100 -0.028 0.000 1.202 652 Y CB -0.038 38.366 38.460 -0.093 0.000 0.990 652 Y HN 0.089 nan 8.280 nan 0.000 0.537 653 Y N -0.606 119.773 120.300 0.131 0.000 2.365 653 Y HA 0.027 4.566 4.550 -0.019 0.000 0.293 653 Y C 1.938 177.849 175.900 0.017 0.000 1.119 653 Y CA 0.854 58.992 58.100 0.064 0.000 1.203 653 Y CB -0.272 38.230 38.460 0.071 0.000 1.026 653 Y HN 0.014 nan 8.280 nan 0.000 0.549 654 K N -0.387 120.125 120.400 0.186 0.000 2.367 654 K HA 0.323 4.631 4.320 -0.021 0.000 0.195 654 K C -0.156 176.495 176.600 0.085 0.000 1.060 654 K CA 0.348 56.706 56.287 0.119 0.000 1.022 654 K CB 0.849 33.420 32.500 0.119 0.000 0.894 654 K HN 0.088 nan 8.250 nan 0.000 0.540 655 I N 3.187 123.808 120.570 0.085 0.000 2.495 655 I HA 0.145 4.303 4.170 -0.021 0.000 0.277 655 I C -1.906 174.250 176.117 0.065 0.000 1.045 655 I CA -2.119 59.244 61.300 0.105 0.000 1.135 655 I CB 1.730 39.870 38.000 0.234 0.000 1.241 655 I HN -0.185 nan 8.210 nan 0.000 0.469 656 P HA -0.238 nan 4.420 nan 0.000 0.217 656 P C 1.670 178.938 177.300 -0.053 0.000 1.148 656 P CA 1.338 64.411 63.100 -0.046 0.000 0.828 656 P CB 0.363 32.041 31.700 -0.037 0.000 0.783 657 S N -0.932 114.734 115.700 -0.058 0.000 2.374 657 S HA -0.213 4.245 4.470 -0.021 0.000 0.227 657 S C 2.041 176.524 174.600 -0.195 0.000 1.037 657 S CA 1.164 59.269 58.200 -0.157 0.000 1.024 657 S CB -1.086 61.969 63.200 -0.242 0.000 0.861 657 S HN 0.102 nan 8.310 nan 0.000 0.456 658 Y N 1.343 121.598 120.300 -0.075 0.000 2.286 658 Y HA 0.167 4.704 4.550 -0.022 0.000 0.293 658 Y C 2.486 178.368 175.900 -0.030 0.000 1.124 658 Y CA 1.346 59.415 58.100 -0.052 0.000 1.178 658 Y CB -0.236 38.202 38.460 -0.037 0.000 1.010 658 Y HN 0.271 nan 8.280 nan 0.000 0.536 659 K N 0.509 120.933 120.400 0.039 0.000 2.152 659 K HA -0.210 4.097 4.320 -0.021 0.000 0.206 659 K C 1.322 177.913 176.600 -0.015 0.000 1.048 659 K CA 1.920 58.119 56.287 -0.146 0.000 0.933 659 K CB -0.092 32.111 32.500 -0.494 0.000 0.721 659 K HN 0.243 nan 8.250 nan 0.000 0.447 660 N N 0.415 119.098 118.700 -0.028 0.000 2.300 660 N HA -0.066 4.661 4.740 -0.021 0.000 0.179 660 N C 1.479 177.004 175.510 0.026 0.000 1.016 660 N CA 0.887 53.934 53.050 -0.006 0.000 0.876 660 N CB 0.146 38.607 38.487 -0.043 0.000 0.979 660 N HN 0.270 nan 8.380 nan 0.000 0.432 661 Q N 0.036 119.826 119.800 -0.018 0.000 2.124 661 Q HA -0.116 4.211 4.340 -0.021 0.000 0.202 661 Q C 1.889 177.949 176.000 0.100 0.000 0.977 661 Q CA 0.859 56.650 55.803 -0.020 0.000 0.850 661 Q CB -0.160 28.523 28.738 -0.091 0.000 0.901 661 Q HN 0.340 nan 8.270 nan 0.000 0.429 662 L N 0.855 122.135 121.223 0.095 0.000 1.961 662 L HA -0.180 4.147 4.340 -0.021 0.000 0.210 662 L C 2.160 178.980 176.870 -0.084 0.000 1.072 662 L CA 1.473 56.334 54.840 0.035 0.000 0.749 662 L CB -0.346 41.753 42.059 0.067 0.000 0.889 662 L HN 0.148 nan 8.230 nan 0.000 0.432 663 I N -1.421 119.132 120.570 -0.029 0.000 2.113 663 I HA -0.390 3.768 4.170 -0.021 0.000 0.242 663 I C 2.359 178.422 176.117 -0.090 0.000 1.064 663 I CA 2.282 63.525 61.300 -0.096 0.000 1.320 663 I CB -0.729 37.273 38.000 0.003 0.000 1.028 663 I HN 0.569 nan 8.210 nan 0.000 0.406 664 W N 1.773 122.981 121.300 -0.154 0.000 2.317 664 W HA -0.342 4.304 4.660 -0.022 0.000 0.318 664 W C 2.803 179.229 176.519 -0.154 0.000 1.227 664 W CA 2.163 59.429 57.345 -0.132 0.000 1.269 664 W CB -0.343 29.059 29.460 -0.098 0.000 1.155 664 W HN 0.095 nan 8.180 nan 0.000 0.484 665 Q N 0.552 120.517 119.800 0.276 0.000 2.096 665 Q HA -0.266 4.062 4.340 -0.021 0.000 0.208 665 Q C 2.449 178.329 176.000 -0.200 0.000 0.993 665 Q CA 3.155 59.052 55.803 0.156 0.000 0.862 665 Q CB -0.824 28.052 28.738 0.229 0.000 0.915 665 Q HN 0.388 nan 8.270 nan 0.000 0.416 666 S N -1.224 114.147 115.700 -0.547 0.000 2.474 666 S HA -0.153 4.305 4.470 -0.021 0.000 0.235 666 S C 1.597 175.928 174.600 -0.449 0.000 0.997 666 S CA 1.201 58.916 58.200 -0.808 0.000 0.949 666 S CB -0.109 62.221 63.200 -1.449 0.000 0.766 666 S HN 0.502 nan 8.310 nan 0.000 0.517 667 Q N 0.486 120.029 119.800 -0.427 0.000 2.442 667 Q HA 0.250 4.577 4.340 -0.021 0.000 0.228 667 Q C 1.075 176.802 176.000 -0.454 0.000 0.902 667 Q CA 0.645 56.218 55.803 -0.383 0.000 0.933 667 Q CB -0.018 28.505 28.738 -0.357 0.000 1.071 667 Q HN 0.550 nan 8.270 nan 0.000 0.562 668 N N 0.417 118.675 118.700 -0.737 0.000 2.353 668 N HA -0.002 4.726 4.740 -0.021 0.000 0.185 668 N C 0.008 175.214 175.510 -0.507 0.000 1.098 668 N CA 0.326 52.862 53.050 -0.856 0.000 0.872 668 N CB 0.532 37.858 38.487 -1.934 0.000 0.970 668 N HN -0.000 nan 8.380 nan 0.000 0.467 669 N N -0.464 118.054 118.700 -0.303 0.000 2.527 669 N HA 0.275 5.002 4.740 -0.021 0.000 0.279 669 N C 0.520 176.066 175.510 0.060 0.000 1.571 669 N CA 0.052 53.072 53.050 -0.050 0.000 0.858 669 N CB -0.046 38.491 38.487 0.083 0.000 1.422 669 N HN 0.018 nan 8.380 nan 0.000 0.491 670 A N 0.197 123.007 122.820 -0.017 0.000 1.985 670 A HA -0.262 4.046 4.320 -0.021 0.000 0.223 670 A C 1.740 179.395 177.584 0.118 0.000 1.189 670 A CA 2.089 54.154 52.037 0.046 0.000 0.658 670 A CB -0.388 18.601 19.000 -0.017 0.000 0.820 670 A HN 0.473 nan 8.150 nan 0.000 0.464 671 D N -1.575 118.884 120.400 0.099 0.000 2.104 671 D HA -0.164 4.464 4.640 -0.021 0.000 0.194 671 D C 1.668 178.047 176.300 0.132 0.000 0.994 671 D CA 1.664 55.724 54.000 0.100 0.000 0.830 671 D CB -0.363 40.493 40.800 0.092 0.000 0.959 671 D HN 0.561 nan 8.370 nan 0.000 0.452 672 F N 0.488 120.468 119.950 0.049 0.000 2.146 672 F HA -0.140 4.369 4.527 -0.030 0.000 0.298 672 F C 2.116 177.941 175.800 0.042 0.000 1.096 672 F CA 0.856 58.871 58.000 0.026 0.000 1.275 672 F CB -0.374 38.643 39.000 0.028 0.000 1.008 672 F HN -0.159 nan 8.300 nan 0.000 0.480 673 F N -0.181 119.788 119.950 0.033 0.000 2.146 673 F HA -0.124 4.390 4.527 -0.022 0.000 0.298 673 F C 2.330 178.072 175.800 -0.095 0.000 1.096 673 F CA 1.646 59.614 58.000 -0.054 0.000 1.275 673 F CB -0.901 38.072 39.000 -0.045 0.000 1.008 673 F HN -0.147 nan 8.300 nan 0.000 0.480 674 V N 1.053 120.948 119.914 -0.031 0.000 2.490 674 V HA -0.257 3.851 4.120 -0.021 0.000 0.250 674 V C 2.597 178.570 176.094 -0.202 0.000 1.061 674 V CA 2.231 64.455 62.300 -0.126 0.000 1.064 674 V CB -0.584 31.240 31.823 0.001 0.000 0.670 674 V HN 0.445 nan 8.190 nan 0.000 0.461 675 R N -0.834 119.549 120.500 -0.195 0.000 2.115 675 R HA -0.168 4.159 4.340 -0.021 0.000 0.230 675 R C 2.129 178.264 176.300 -0.275 0.000 1.111 675 R CA 2.167 58.144 56.100 -0.206 0.000 0.976 675 R CB -0.491 29.686 30.300 -0.205 0.000 0.870 675 R HN 0.603 nan 8.270 nan 0.000 0.445 676 F N 0.657 120.290 119.950 -0.528 0.000 2.187 676 F HA -0.063 4.449 4.527 -0.025 0.000 0.295 676 F C 1.756 177.253 175.800 -0.504 0.000 1.091 676 F CA 1.202 58.868 58.000 -0.558 0.000 1.308 676 F CB -0.399 38.165 39.000 -0.726 0.000 1.030 676 F HN -0.090 nan 8.300 nan 0.000 0.487 677 V N 0.219 119.508 119.914 -1.043 0.000 3.041 677 V HA 0.113 4.220 4.120 -0.021 0.000 0.260 677 V C 2.197 178.045 176.094 -0.409 0.000 1.105 677 V CA 1.377 63.119 62.300 -0.930 0.000 1.125 677 V CB -1.338 30.192 31.823 -0.489 0.000 0.730 677 V HN 0.382 nan 8.190 nan 0.000 0.479 678 A N 0.847 123.483 122.820 -0.306 0.000 1.898 678 A HA -0.069 4.239 4.320 -0.021 0.000 0.216 678 A C 2.403 179.918 177.584 -0.115 0.000 1.181 678 A CA 1.568 53.524 52.037 -0.135 0.000 0.620 678 A CB -0.535 18.405 19.000 -0.101 0.000 0.819 678 A HN 0.510 nan 8.150 nan 0.000 0.442 679 R N -1.282 119.119 120.500 -0.165 0.000 2.115 679 R HA -0.018 4.310 4.340 -0.021 0.000 0.226 679 R C 2.162 178.446 176.300 -0.027 0.000 1.100 679 R CA 1.382 57.449 56.100 -0.055 0.000 0.980 679 R CB -0.465 29.843 30.300 0.012 0.000 0.875 679 R HN 0.708 nan 8.270 nan 0.000 0.445 680 M N 0.523 119.996 119.600 -0.213 0.000 2.254 680 M HA -0.084 4.384 4.480 -0.021 0.000 0.265 680 M C 2.070 178.381 176.300 0.018 0.000 1.066 680 M CA 1.222 56.426 55.300 -0.159 0.000 1.123 680 M CB 0.120 32.325 32.600 -0.659 0.000 1.388 680 M HN 0.137 nan 8.290 nan 0.000 0.425 681 L N 0.055 121.311 121.223 0.054 0.000 2.023 681 L HA -0.202 4.125 4.340 -0.021 0.000 0.205 681 L C 2.069 178.945 176.870 0.010 0.000 1.073 681 L CA 1.245 56.148 54.840 0.104 0.000 0.745 681 L CB -0.543 41.576 42.059 0.101 0.000 0.900 681 L HN 0.333 nan 8.230 nan 0.000 0.435 682 N N 0.509 119.218 118.700 0.014 0.000 2.018 682 N HA -0.238 4.490 4.740 -0.021 0.000 0.196 682 N C 1.440 176.956 175.510 0.010 0.000 1.043 682 N CA 1.939 55.017 53.050 0.047 0.000 0.856 682 N CB -0.542 37.999 38.487 0.090 0.000 1.042 682 N HN 0.347 nan 8.380 nan 0.000 0.423 683 D N 0.545 120.916 120.400 -0.048 0.000 2.190 683 D HA -0.132 4.495 4.640 -0.021 0.000 0.200 683 D C 1.800 177.664 176.300 -0.726 0.000 0.992 683 D CA 0.410 54.148 54.000 -0.437 0.000 0.854 683 D CB -0.262 40.456 40.800 -0.137 0.000 0.936 683 D HN 0.125 nan 8.370 nan 0.000 0.462 684 L N 0.840 121.889 121.223 -0.290 0.000 2.551 684 L HA -0.036 4.292 4.340 -0.021 0.000 0.228 684 L C 2.151 178.923 176.870 -0.163 0.000 1.153 684 L CA 1.147 55.861 54.840 -0.210 0.000 0.851 684 L CB -0.891 41.137 42.059 -0.051 0.000 0.959 684 L HN 0.082 nan 8.230 nan 0.000 0.451 685 T N -4.020 110.446 114.554 -0.146 0.000 3.055 685 T HA -0.097 4.241 4.350 -0.021 0.000 0.265 685 T C 1.309 176.052 174.700 0.073 0.000 1.111 685 T CA 1.137 63.223 62.100 -0.024 0.000 1.118 685 T CB -0.431 68.427 68.868 -0.016 0.000 0.909 685 T HN 0.407 nan 8.240 nan 0.000 0.501 686 F N -0.741 119.228 119.950 0.032 0.000 2.747 686 F HA 0.529 5.042 4.527 -0.023 0.000 0.305 686 F C 1.497 177.303 175.800 0.010 0.000 1.065 686 F CA -0.938 57.082 58.000 0.034 0.000 1.230 686 F CB -0.374 38.631 39.000 0.009 0.000 1.027 686 F HN -0.043 nan 8.300 nan 0.000 0.607 687 L N 0.798 121.755 121.223 -0.442 0.000 1.991 687 L HA -0.265 4.063 4.340 -0.021 0.000 0.221 687 L C 2.577 179.427 176.870 -0.033 0.000 1.079 687 L CA 1.859 56.551 54.840 -0.247 0.000 0.778 687 L CB -0.830 41.034 42.059 -0.325 0.000 0.893 687 L HN 0.349 nan 8.230 nan 0.000 0.437 688 L N -0.362 120.863 121.223 0.003 0.000 2.131 688 L HA -0.199 4.129 4.340 -0.021 0.000 0.210 688 L C 1.836 178.744 176.870 0.063 0.000 1.092 688 L CA 1.803 56.676 54.840 0.054 0.000 0.759 688 L CB -0.668 41.433 42.059 0.070 0.000 0.903 688 L HN 0.174 nan 8.230 nan 0.000 0.435 689 D N -0.223 120.243 120.400 0.111 0.000 2.097 689 D HA -0.203 4.424 4.640 -0.021 0.000 0.197 689 D C 2.046 178.393 176.300 0.077 0.000 0.984 689 D CA 1.587 55.658 54.000 0.118 0.000 0.826 689 D CB -0.016 40.913 40.800 0.215 0.000 0.973 689 D HN 0.702 nan 8.370 nan 0.000 0.460 690 E N -0.462 119.804 120.200 0.110 0.000 2.478 690 E HA 0.002 4.339 4.350 -0.021 0.000 0.198 690 E C 1.884 178.488 176.600 0.007 0.000 1.046 690 E CA 0.879 57.321 56.400 0.069 0.000 0.870 690 E CB -0.178 29.593 29.700 0.118 0.000 0.818 690 E HN 0.221 nan 8.360 nan 0.000 0.527 691 G N 1.629 110.420 108.800 -0.015 0.000 2.411 691 G HA2 -0.095 3.852 3.960 -0.021 0.000 0.213 691 G HA3 -0.095 3.852 3.960 -0.021 0.000 0.213 691 G C 1.583 176.376 174.900 -0.177 0.000 1.166 691 G CA 0.225 45.277 45.100 -0.080 0.000 0.802 691 G HN 0.150 nan 8.290 nan 0.000 0.533 692 L N 0.928 122.061 121.223 -0.149 0.000 2.093 692 L HA -0.059 4.269 4.340 -0.021 0.000 0.208 692 L C 3.152 179.933 176.870 -0.149 0.000 1.085 692 L CA 1.008 55.732 54.840 -0.192 0.000 0.755 692 L CB -0.345 41.650 42.059 -0.108 0.000 0.904 692 L HN 0.163 nan 8.230 nan 0.000 0.435 693 S N -0.143 115.505 115.700 -0.087 0.000 2.368 693 S HA -0.145 4.312 4.470 -0.021 0.000 0.225 693 S C 1.766 176.312 174.600 -0.089 0.000 1.030 693 S CA 1.185 59.345 58.200 -0.066 0.000 0.999 693 S CB -0.293 62.889 63.200 -0.029 0.000 0.844 693 S HN 0.443 nan 8.310 nan 0.000 0.459 694 N N 1.382 120.019 118.700 -0.105 0.000 2.106 694 N HA 0.033 4.761 4.740 -0.021 0.000 0.188 694 N C 1.684 177.086 175.510 -0.180 0.000 1.029 694 N CA 0.898 53.876 53.050 -0.121 0.000 0.848 694 N CB -0.387 38.035 38.487 -0.108 0.000 1.007 694 N HN 0.328 nan 8.380 nan 0.000 0.423 695 L N 0.913 121.978 121.223 -0.263 0.000 2.265 695 L HA -0.089 4.239 4.340 -0.021 0.000 0.215 695 L C 2.367 179.113 176.870 -0.207 0.000 1.117 695 L CA 0.532 55.166 54.840 -0.344 0.000 0.782 695 L CB -0.315 41.450 42.059 -0.490 0.000 0.914 695 L HN 0.123 nan 8.230 nan 0.000 0.441 696 A N -0.185 122.540 122.820 -0.157 0.000 1.929 696 A HA -0.194 4.113 4.320 -0.021 0.000 0.216 696 A C 2.214 179.771 177.584 -0.044 0.000 1.176 696 A CA 1.489 53.469 52.037 -0.096 0.000 0.628 696 A CB -0.252 18.696 19.000 -0.087 0.000 0.816 696 A HN 0.335 nan 8.150 nan 0.000 0.444 697 E N -0.175 119.988 120.200 -0.061 0.000 2.208 697 E HA -0.054 4.284 4.350 -0.021 0.000 0.193 697 E C 1.663 178.241 176.600 -0.037 0.000 0.988 697 E CA 1.141 57.516 56.400 -0.041 0.000 0.828 697 E CB -0.219 29.451 29.700 -0.050 0.000 0.763 697 E HN 0.241 nan 8.360 nan 0.000 0.478 698 V N 0.493 120.370 119.914 -0.062 0.000 2.548 698 V HA -0.181 3.927 4.120 -0.021 0.000 0.249 698 V C 2.350 178.433 176.094 -0.019 0.000 1.055 698 V CA 1.869 64.134 62.300 -0.058 0.000 1.065 698 V CB -0.586 31.158 31.823 -0.132 0.000 0.681 698 V HN 0.481 nan 8.190 nan 0.000 0.462 699 H N 0.008 119.026 119.070 -0.087 0.000 2.502 699 H HA -0.008 4.536 4.556 -0.021 0.000 0.283 699 H C 2.086 177.389 175.328 -0.041 0.000 1.015 699 H CA 0.935 56.948 56.048 -0.058 0.000 1.298 699 H CB 0.288 30.010 29.762 -0.067 0.000 1.411 699 H HN 0.369 nan 8.280 nan 0.000 0.556 700 N N 0.809 119.546 118.700 0.063 0.000 2.135 700 N HA -0.077 4.650 4.740 -0.021 0.000 0.186 700 N C 2.262 177.757 175.510 -0.025 0.000 1.027 700 N CA 0.838 53.905 53.050 0.029 0.000 0.849 700 N CB -0.149 38.349 38.487 0.019 0.000 1.002 700 N HN 0.390 nan 8.380 nan 0.000 0.425 701 I N 1.307 121.858 120.570 -0.032 0.000 2.226 701 I HA -0.237 3.920 4.170 -0.021 0.000 0.245 701 I C 2.099 178.183 176.117 -0.055 0.000 1.100 701 I CA 0.992 62.270 61.300 -0.036 0.000 1.374 701 I CB -0.243 37.741 38.000 -0.027 0.000 1.057 701 I HN 0.071 nan 8.210 nan 0.000 0.413 702 Q N 0.488 120.235 119.800 -0.089 0.000 2.291 702 Q HA -0.183 4.145 4.340 -0.021 0.000 0.206 702 Q C 1.854 177.784 176.000 -0.117 0.000 0.976 702 Q CA 1.097 56.836 55.803 -0.107 0.000 0.875 702 Q CB -0.629 28.019 28.738 -0.150 0.000 0.927 702 Q HN 0.564 nan 8.270 nan 0.000 0.450 703 N N 0.874 119.498 118.700 -0.126 0.000 2.173 703 N HA -0.164 4.564 4.740 -0.021 0.000 0.184 703 N C 1.423 176.905 175.510 -0.047 0.000 1.025 703 N CA 0.992 53.988 53.050 -0.091 0.000 0.852 703 N CB 0.195 38.641 38.487 -0.069 0.000 0.998 703 N HN 0.041 nan 8.380 nan 0.000 0.427 704 E N 0.698 120.876 120.200 -0.037 0.000 2.463 704 E HA -0.023 4.314 4.350 -0.021 0.000 0.201 704 E C 0.190 176.777 176.600 -0.022 0.000 1.045 704 E CA 0.388 56.774 56.400 -0.023 0.000 0.872 704 E CB -0.373 29.317 29.700 -0.018 0.000 0.797 704 E HN 0.425 nan 8.360 nan 0.000 0.538 705 L N 1.251 122.457 121.223 -0.029 0.000 2.512 705 L HA 0.233 4.561 4.340 -0.021 0.000 0.247 705 L C 0.020 176.877 176.870 -0.022 0.000 1.204 705 L CA -0.233 54.593 54.840 -0.024 0.000 1.153 705 L CB 0.283 42.326 42.059 -0.027 0.000 1.415 705 L HN -0.020 nan 8.230 nan 0.000 0.406 706 D N 0.261 120.651 120.400 -0.016 0.000 2.461 706 D HA -0.003 4.625 4.640 -0.021 0.000 0.266 706 D C 0.589 176.885 176.300 -0.007 0.000 1.085 706 D CA 0.235 54.227 54.000 -0.013 0.000 0.887 706 D CB 0.299 41.092 40.800 -0.012 0.000 1.309 706 D HN 0.552 nan 8.370 nan 0.000 0.498 719 E N 2.562 122.762 120.200 -0.001 0.000 2.168 719 E HA 0.002 4.340 4.350 -0.021 0.000 0.254 719 E C 0.034 176.634 176.600 0.001 0.000 1.228 719 E CA 0.425 56.825 56.400 0.001 0.000 0.956 719 E CB -0.072 29.629 29.700 0.001 0.000 1.031 719 E HN 0.471 nan 8.360 nan 0.000 0.441 720 D N 4.336 124.737 120.400 0.001 0.000 2.286 720 D HA -0.362 4.266 4.640 -0.021 0.000 0.195 720 D C 1.474 177.775 176.300 0.002 0.000 1.012 720 D CA 2.394 56.395 54.000 0.001 0.000 0.901 720 D CB 0.240 41.042 40.800 0.003 0.000 0.903 720 D HN 0.583 nan 8.370 nan 0.000 0.451 721 K N 0.173 120.575 120.400 0.004 0.000 1.980 721 K HA -0.153 4.155 4.320 -0.021 0.000 0.208 721 K C 2.288 178.890 176.600 0.003 0.000 1.043 721 K CA 1.210 57.499 56.287 0.005 0.000 0.938 721 K CB -0.683 31.820 32.500 0.006 0.000 0.724 721 K HN 0.153 nan 8.250 nan 0.000 0.438 722 E N 1.129 121.330 120.200 0.002 0.000 2.267 722 E HA -0.143 4.195 4.350 -0.021 0.000 0.197 722 E C 1.767 178.366 176.600 -0.001 0.000 0.998 722 E CA 0.676 57.076 56.400 0.000 0.000 0.830 722 E CB -0.058 29.642 29.700 -0.001 0.000 0.751 722 E HN 0.415 nan 8.360 nan 0.000 0.491 723 L N 0.708 121.930 121.223 -0.002 0.000 2.622 723 L HA -0.106 4.221 4.340 -0.021 0.000 0.233 723 L C 1.977 178.846 176.870 -0.002 0.000 1.156 723 L CA 0.145 54.982 54.840 -0.005 0.000 0.866 723 L CB -0.079 41.976 42.059 -0.006 0.000 0.980 723 L HN 0.142 nan 8.230 nan 0.000 0.448 724 Q N -0.866 118.935 119.800 0.001 0.000 2.525 724 Q HA -0.010 4.317 4.340 -0.021 0.000 0.203 724 Q C 2.324 178.328 176.000 0.006 0.000 0.947 724 Q CA 1.641 57.447 55.803 0.005 0.000 0.881 724 Q CB -0.763 27.979 28.738 0.007 0.000 1.049 724 Q HN 0.436 nan 8.270 nan 0.000 0.600 725 T N -0.400 114.158 114.554 0.007 0.000 2.918 725 T HA -0.139 4.199 4.350 -0.021 0.000 0.271 725 T C 1.799 176.500 174.700 0.001 0.000 1.104 725 T CA 1.380 63.485 62.100 0.008 0.000 1.114 725 T CB 0.104 68.978 68.868 0.009 0.000 0.855 725 T HN -0.033 nan 8.240 nan 0.000 0.518 726 R N 0.710 121.209 120.500 -0.003 0.000 2.033 726 R HA 0.419 4.747 4.340 -0.021 0.000 0.219 726 R C 2.454 178.747 176.300 -0.011 0.000 1.223 726 R CA 0.850 56.944 56.100 -0.010 0.000 0.971 726 R CB -1.122 29.172 30.300 -0.011 0.000 0.855 726 R HN 0.368 nan 8.270 nan 0.000 0.452 727 L N 0.361 121.580 121.223 -0.007 0.000 2.021 727 L HA -0.236 4.092 4.340 -0.021 0.000 0.215 727 L C 2.100 178.977 176.870 0.011 0.000 1.074 727 L CA 2.153 56.991 54.840 -0.003 0.000 0.760 727 L CB -0.521 41.539 42.059 0.001 0.000 0.889 727 L HN 0.411 nan 8.230 nan 0.000 0.433 728 A N -1.300 121.530 122.820 0.017 0.000 1.902 728 A HA -0.252 4.056 4.320 -0.021 0.000 0.217 728 A C 2.461 180.059 177.584 0.023 0.000 1.181 728 A CA 2.020 54.074 52.037 0.029 0.000 0.623 728 A CB -0.987 18.027 19.000 0.024 0.000 0.818 728 A HN 0.551 nan 8.150 nan 0.000 0.443 729 S N -0.695 115.007 115.700 0.002 0.000 2.399 729 S HA -0.005 4.452 4.470 -0.021 0.000 0.231 729 S C 2.091 176.670 174.600 -0.034 0.000 1.022 729 S CA 1.407 59.596 58.200 -0.019 0.000 0.983 729 S CB -0.397 62.783 63.200 -0.032 0.000 0.803 729 S HN 0.780 nan 8.310 nan 0.000 0.480 730 A N 0.337 123.138 122.820 -0.031 0.000 1.968 730 A HA 0.047 4.355 4.320 -0.021 0.000 0.217 730 A C 2.354 179.914 177.584 -0.040 0.000 1.169 730 A CA 1.721 53.728 52.037 -0.050 0.000 0.638 730 A CB -0.823 18.142 19.000 -0.058 0.000 0.812 730 A HN 0.528 nan 8.150 nan 0.000 0.446 731 S N -0.823 114.885 115.700 0.015 0.000 2.383 731 S HA -0.121 4.337 4.470 -0.021 0.000 0.227 731 S C 2.024 176.711 174.600 0.145 0.000 1.026 731 S CA 1.267 59.538 58.200 0.118 0.000 0.981 731 S CB -0.265 63.096 63.200 0.269 0.000 0.818 731 S HN 0.684 nan 8.310 nan 0.000 0.472 732 R N 0.823 121.372 120.500 0.082 0.000 2.235 732 R HA 0.039 4.367 4.340 -0.021 0.000 0.213 732 R C 2.052 178.405 176.300 0.089 0.000 1.059 732 R CA 0.972 57.118 56.100 0.076 0.000 0.997 732 R CB -0.030 30.299 30.300 0.049 0.000 0.884 732 R HN 0.346 nan 8.270 nan 0.000 0.462 733 Q N -0.897 118.930 119.800 0.045 0.000 2.297 733 Q HA 0.147 4.475 4.340 -0.021 0.000 0.203 733 Q C 1.833 177.881 176.000 0.080 0.000 0.931 733 Q CA 0.989 56.839 55.803 0.078 0.000 0.885 733 Q CB 0.362 29.068 28.738 -0.054 0.000 0.991 733 Q HN 0.412 nan 8.270 nan 0.000 0.498 734 A N 0.859 123.691 122.820 0.020 0.000 1.898 734 A HA -0.188 4.119 4.320 -0.021 0.000 0.216 734 A C 1.902 179.526 177.584 0.066 0.000 1.181 734 A CA 1.559 53.580 52.037 -0.026 0.000 0.620 734 A CB -0.313 18.579 19.000 -0.181 0.000 0.819 734 A HN 0.195 nan 8.150 nan 0.000 0.442 735 K N -0.507 119.977 120.400 0.141 0.000 2.103 735 K HA -0.082 4.225 4.320 -0.021 0.000 0.204 735 K C 2.297 178.905 176.600 0.013 0.000 1.052 735 K CA 1.389 57.751 56.287 0.125 0.000 0.945 735 K CB -0.165 32.401 32.500 0.110 0.000 0.722 735 K HN 0.417 nan 8.250 nan 0.000 0.443 736 S N -0.536 115.172 115.700 0.013 0.000 2.387 736 S HA -0.046 4.411 4.470 -0.021 0.000 0.226 736 S C 1.811 176.364 174.600 -0.079 0.000 1.026 736 S CA 1.468 59.631 58.200 -0.060 0.000 0.972 736 S CB -0.115 63.120 63.200 0.058 0.000 0.814 736 S HN 0.324 nan 8.310 nan 0.000 0.477 737 S N 0.507 116.188 115.700 -0.032 0.000 2.335 737 S HA -0.064 4.394 4.470 -0.021 0.000 0.217 737 S C 2.104 176.696 174.600 -0.015 0.000 1.032 737 S CA 1.226 59.383 58.200 -0.072 0.000 0.985 737 S CB -0.758 62.422 63.200 -0.034 0.000 0.896 737 S HN 0.722 nan 8.310 nan 0.000 0.445 738 C N 1.684 121.013 119.300 0.047 0.000 2.411 738 C HA -0.025 4.423 4.460 -0.021 0.000 0.279 738 C C 2.830 177.893 174.990 0.121 0.000 1.288 738 C CA 0.565 59.660 59.018 0.129 0.000 1.764 738 C CB -1.791 26.091 27.740 0.237 0.000 1.974 738 C HN 0.745 nan 8.230 nan 0.000 0.498 739 G N -0.203 108.650 108.800 0.088 0.000 2.402 739 G HA2 -0.142 3.806 3.960 -0.021 0.000 0.216 739 G HA3 -0.142 3.806 3.960 -0.021 0.000 0.216 739 G C 1.609 176.659 174.900 0.250 0.000 1.162 739 G CA 0.377 45.561 45.100 0.140 0.000 0.777 739 G HN 0.521 nan 8.290 nan 0.000 0.539 740 L N 0.505 121.832 121.223 0.172 0.000 2.056 740 L HA 0.014 4.342 4.340 -0.021 0.000 0.207 740 L C 3.292 180.217 176.870 0.093 0.000 1.078 740 L CA 1.382 56.337 54.840 0.192 0.000 0.749 740 L CB -0.387 41.716 42.059 0.073 0.000 0.901 740 L HN 0.318 nan 8.230 nan 0.000 0.433 741 A N -0.171 122.671 122.820 0.037 0.000 1.892 741 A HA -0.355 3.953 4.320 -0.021 0.000 0.218 741 A C 1.848 179.459 177.584 0.045 0.000 1.188 741 A CA 2.444 54.492 52.037 0.018 0.000 0.631 741 A CB -0.959 18.051 19.000 0.017 0.000 0.822 741 A HN 0.521 nan 8.150 nan 0.000 0.447 742 D N -0.898 119.544 120.400 0.070 0.000 2.123 742 D HA -0.127 4.501 4.640 -0.021 0.000 0.196 742 D C 1.979 178.302 176.300 0.038 0.000 0.992 742 D CA 1.349 55.384 54.000 0.058 0.000 0.833 742 D CB 0.078 40.929 40.800 0.084 0.000 0.954 742 D HN 0.196 nan 8.370 nan 0.000 0.455 743 K N -0.030 120.401 120.400 0.051 0.000 2.217 743 K HA 0.073 4.380 4.320 -0.021 0.000 0.202 743 K C 2.179 178.754 176.600 -0.042 0.000 1.051 743 K CA 0.364 56.641 56.287 -0.016 0.000 0.952 743 K CB -0.180 32.286 32.500 -0.056 0.000 0.736 743 K HN 0.055 nan 8.250 nan 0.000 0.453 744 S N 0.978 116.680 115.700 0.004 0.000 2.371 744 S HA -0.025 4.433 4.470 -0.021 0.000 0.224 744 S C 1.929 176.552 174.600 0.039 0.000 1.029 744 S CA 0.835 59.033 58.200 -0.003 0.000 0.978 744 S CB -0.027 63.205 63.200 0.054 0.000 0.833 744 S HN 0.165 nan 8.310 nan 0.000 0.466 745 M N 1.382 121.017 119.600 0.058 0.000 2.067 745 M HA -0.050 4.418 4.480 -0.021 0.000 0.260 745 M C 2.140 178.437 176.300 -0.006 0.000 1.069 745 M CA 1.484 56.820 55.300 0.060 0.000 1.117 745 M CB -1.085 31.522 32.600 0.012 0.000 1.334 745 M HN 0.094 nan 8.290 nan 0.000 0.407 746 K N 0.616 120.987 120.400 -0.049 0.000 2.044 746 K HA -0.107 4.201 4.320 -0.021 0.000 0.210 746 K C 1.912 178.375 176.600 -0.228 0.000 1.049 746 K CA 1.438 57.669 56.287 -0.093 0.000 0.927 746 K CB -0.635 31.821 32.500 -0.073 0.000 0.713 746 K HN 0.313 nan 8.250 nan 0.000 0.443 747 L N -0.774 120.253 121.223 -0.327 0.000 2.046 747 L HA -0.166 4.161 4.340 -0.021 0.000 0.208 747 L C 2.227 178.719 176.870 -0.630 0.000 1.077 747 L CA 1.275 55.723 54.840 -0.653 0.000 0.747 747 L CB -0.478 41.233 42.059 -0.579 0.000 0.896 747 L HN 0.132 nan 8.230 nan 0.000 0.432 748 F N 0.590 120.339 119.950 -0.336 0.000 2.102 748 F HA -0.246 4.268 4.527 -0.023 0.000 0.298 748 F C 2.699 178.285 175.800 -0.357 0.000 1.105 748 F CA 1.842 59.619 58.000 -0.371 0.000 1.239 748 F CB -0.435 38.324 39.000 -0.403 0.000 0.991 748 F HN 0.175 nan 8.300 nan 0.000 0.474 749 E N 0.299 120.449 120.200 -0.084 0.000 2.031 749 E HA -0.242 4.095 4.350 -0.021 0.000 0.193 749 E C 2.290 178.844 176.600 -0.077 0.000 0.994 749 E CA 1.544 57.897 56.400 -0.078 0.000 0.800 749 E CB -0.353 29.323 29.700 -0.040 0.000 0.752 749 E HN 0.241 nan 8.360 nan 0.000 0.447 750 I N 0.575 121.035 120.570 -0.183 0.000 2.248 750 I HA -0.275 3.882 4.170 -0.021 0.000 0.248 750 I C 1.808 177.835 176.117 -0.149 0.000 1.107 750 I CA 1.375 62.549 61.300 -0.209 0.000 1.373 750 I CB -0.377 37.333 38.000 -0.484 0.000 1.055 750 I HN 0.284 nan 8.210 nan 0.000 0.418 751 Y N -0.378 119.847 120.300 -0.125 0.000 2.301 751 Y HA -0.029 4.509 4.550 -0.020 0.000 0.295 751 Y C 2.814 178.873 175.900 0.265 0.000 1.119 751 Y CA 0.699 58.829 58.100 0.049 0.000 1.162 751 Y CB -1.587 37.028 38.460 0.259 0.000 1.046 751 Y HN 0.247 nan 8.280 nan 0.000 0.538 752 S N 0.192 116.080 115.700 0.313 0.000 2.465 752 S HA -0.234 4.224 4.470 -0.021 0.000 0.241 752 S C 1.906 176.590 174.600 0.141 0.000 1.000 752 S CA 1.498 59.801 58.200 0.173 0.000 0.964 752 S CB -0.292 62.779 63.200 -0.216 0.000 0.763 752 S HN 0.316 nan 8.310 nan 0.000 0.512 753 K N 1.480 121.966 120.400 0.143 0.000 2.167 753 K HA 0.013 4.320 4.320 -0.021 0.000 0.203 753 K C 1.318 178.013 176.600 0.158 0.000 1.052 753 K CA 1.640 58.004 56.287 0.129 0.000 0.956 753 K CB -0.119 32.464 32.500 0.138 0.000 0.735 753 K HN 0.373 nan 8.250 nan 0.000 0.451 754 D N -0.273 120.258 120.400 0.218 0.000 2.379 754 D HA 0.091 4.719 4.640 -0.021 0.000 0.218 754 D C 0.693 177.080 176.300 0.145 0.000 1.006 754 D CA 0.720 54.839 54.000 0.198 0.000 0.893 754 D CB 0.532 41.504 40.800 0.286 0.000 1.019 754 D HN 0.387 nan 8.370 nan 0.000 0.503 755 I N -1.666 119.004 120.570 0.166 0.000 3.064 755 I HA 0.307 4.464 4.170 -0.021 0.000 0.340 755 I C -2.246 173.945 176.117 0.122 0.000 1.405 755 I CA -1.768 59.571 61.300 0.066 0.000 0.912 755 I CB 1.303 39.252 38.000 -0.085 0.000 1.993 755 I HN -0.369 nan 8.210 nan 0.000 0.547 756 P HA -0.299 nan 4.420 nan 0.000 0.217 756 P C 1.974 179.355 177.300 0.135 0.000 1.158 756 P CA 2.538 65.739 63.100 0.170 0.000 0.887 756 P CB 0.330 32.078 31.700 0.080 0.000 0.792 757 A N 0.005 122.856 122.820 0.052 0.000 1.892 757 A HA -0.226 4.082 4.320 -0.021 0.000 0.218 757 A C 2.370 179.946 177.584 -0.015 0.000 1.188 757 A CA 2.558 54.605 52.037 0.016 0.000 0.631 757 A CB -1.744 17.245 19.000 -0.017 0.000 0.822 757 A HN 0.222 nan 8.150 nan 0.000 0.447 758 A N -1.629 121.125 122.820 -0.109 0.000 2.032 758 A HA -0.075 4.232 4.320 -0.021 0.000 0.221 758 A C 1.705 179.164 177.584 -0.207 0.000 1.165 758 A CA 1.659 53.563 52.037 -0.221 0.000 0.645 758 A CB -0.732 18.008 19.000 -0.433 0.000 0.807 758 A HN 0.515 nan 8.150 nan 0.000 0.453 759 F N -1.080 118.919 119.950 0.082 0.000 2.765 759 F HA 0.114 4.629 4.527 -0.020 0.000 0.302 759 F C 1.683 177.493 175.800 0.016 0.000 1.111 759 F CA 0.763 58.801 58.000 0.064 0.000 1.359 759 F CB 0.430 39.450 39.000 0.033 0.000 1.097 759 F HN 0.133 nan 8.300 nan 0.000 0.577 760 V N -3.512 116.489 119.914 0.145 0.000 3.214 760 V HA 0.230 4.338 4.120 -0.021 0.000 0.330 760 V C 0.661 176.777 176.094 0.036 0.000 1.403 760 V CA -0.221 62.134 62.300 0.092 0.000 1.143 760 V CB -0.708 31.175 31.823 0.100 0.000 1.098 760 V HN 0.098 nan 8.190 nan 0.000 0.463 761 T N 2.889 117.466 114.554 0.040 0.000 2.918 761 T HA 0.273 4.611 4.350 -0.021 0.000 0.302 761 T C -0.545 174.174 174.700 0.031 0.000 1.045 761 T CA -0.514 61.603 62.100 0.029 0.000 1.114 761 T CB 1.248 70.131 68.868 0.025 0.000 0.965 761 T HN 0.391 nan 8.240 nan 0.000 0.540 762 P HA -0.184 nan 4.420 nan 0.000 0.218 762 P C 0.993 178.376 177.300 0.140 0.000 1.146 762 P CA 1.304 64.471 63.100 0.111 0.000 0.820 762 P CB 0.118 31.911 31.700 0.154 0.000 0.778 763 E N -1.144 119.114 120.200 0.098 0.000 2.481 763 E HA -0.016 4.321 4.350 -0.021 0.000 0.195 763 E C 1.575 178.226 176.600 0.085 0.000 1.047 763 E CA 0.532 56.989 56.400 0.094 0.000 0.867 763 E CB -0.204 29.534 29.700 0.064 0.000 0.858 763 E HN 0.265 nan 8.360 nan 0.000 0.513 764 I N 0.382 120.998 120.570 0.075 0.000 3.971 764 I HA -0.029 4.129 4.170 -0.021 0.000 0.303 764 I C 2.361 178.516 176.117 0.063 0.000 1.233 764 I CA 0.139 61.489 61.300 0.083 0.000 1.346 764 I CB -0.592 37.482 38.000 0.123 0.000 1.273 764 I HN -0.035 nan 8.210 nan 0.000 0.448 765 V N 1.441 121.351 119.914 -0.007 0.000 2.282 765 V HA -0.344 3.764 4.120 -0.021 0.000 0.249 765 V C 2.509 178.501 176.094 -0.171 0.000 1.057 765 V CA 2.358 64.599 62.300 -0.099 0.000 1.032 765 V CB -0.432 31.236 31.823 -0.258 0.000 0.645 765 V HN 0.287 nan 8.190 nan 0.000 0.447 766 Y N 0.493 120.841 120.300 0.080 0.000 2.200 766 Y HA -0.068 4.468 4.550 -0.023 0.000 0.290 766 Y C 2.727 178.652 175.900 0.041 0.000 1.137 766 Y CA 1.557 59.685 58.100 0.047 0.000 1.163 766 Y CB -0.561 37.916 38.460 0.029 0.000 0.988 766 Y HN 0.153 nan 8.280 nan 0.000 0.518 767 R N -0.306 120.289 120.500 0.159 0.000 2.115 767 R HA -0.108 4.220 4.340 -0.021 0.000 0.230 767 R C 2.169 178.492 176.300 0.038 0.000 1.111 767 R CA 0.864 57.017 56.100 0.089 0.000 0.976 767 R CB -0.967 29.376 30.300 0.071 0.000 0.870 767 R HN 0.348 nan 8.270 nan 0.000 0.445 768 L N 0.927 122.166 121.223 0.027 0.000 2.005 768 L HA -0.001 4.327 4.340 -0.021 0.000 0.207 768 L C 2.291 179.168 176.870 0.011 0.000 1.072 768 L CA 1.979 56.790 54.840 -0.049 0.000 0.744 768 L CB -0.854 41.179 42.059 -0.043 0.000 0.895 768 L HN 0.110 nan 8.230 nan 0.000 0.433 769 A N -1.393 121.491 122.820 0.106 0.000 1.948 769 A HA -0.264 4.043 4.320 -0.021 0.000 0.220 769 A C 2.541 180.203 177.584 0.129 0.000 1.177 769 A CA 2.164 54.273 52.037 0.120 0.000 0.636 769 A CB -1.168 17.836 19.000 0.007 0.000 0.815 769 A HN 0.588 nan 8.150 nan 0.000 0.449 770 S N -1.236 114.528 115.700 0.107 0.000 2.357 770 S HA -0.154 4.303 4.470 -0.021 0.000 0.221 770 S C 2.116 176.782 174.600 0.109 0.000 1.031 770 S CA 1.625 59.894 58.200 0.115 0.000 0.982 770 S CB -0.394 62.856 63.200 0.083 0.000 0.853 770 S HN 0.522 nan 8.310 nan 0.000 0.458 771 M N 1.175 120.801 119.600 0.043 0.000 2.108 771 M HA -0.062 4.406 4.480 -0.021 0.000 0.261 771 M C 1.926 178.252 176.300 0.044 0.000 1.066 771 M CA 1.600 56.913 55.300 0.022 0.000 1.107 771 M CB -1.098 31.458 32.600 -0.073 0.000 1.356 771 M HN 0.428 nan 8.290 nan 0.000 0.406 772 L N 0.036 121.248 121.223 -0.019 0.000 1.994 772 L HA -0.266 4.061 4.340 -0.021 0.000 0.208 772 L C 2.102 179.065 176.870 0.155 0.000 1.071 772 L CA 1.835 56.651 54.840 -0.041 0.000 0.745 772 L CB -1.070 40.853 42.059 -0.226 0.000 0.892 772 L HN 0.425 nan 8.230 nan 0.000 0.431 773 N N -1.188 117.670 118.700 0.263 0.000 2.149 773 N HA -0.261 4.467 4.740 -0.021 0.000 0.188 773 N C 1.887 177.509 175.510 0.187 0.000 1.019 773 N CA 1.102 54.323 53.050 0.285 0.000 0.857 773 N CB -0.164 38.521 38.487 0.331 0.000 0.997 773 N HN 0.242 nan 8.380 nan 0.000 0.426 774 Y N 1.924 122.263 120.300 0.066 0.000 2.200 774 Y HA -0.126 4.413 4.550 -0.019 0.000 0.290 774 Y C 1.718 177.629 175.900 0.019 0.000 1.137 774 Y CA 1.556 59.678 58.100 0.037 0.000 1.163 774 Y CB -0.236 38.243 38.460 0.032 0.000 0.988 774 Y HN 0.029 nan 8.280 nan 0.000 0.518 775 N N -0.266 118.473 118.700 0.066 0.000 2.188 775 N HA -0.151 4.577 4.740 -0.021 0.000 0.184 775 N C 1.633 177.102 175.510 -0.068 0.000 1.018 775 N CA 1.101 54.132 53.050 -0.031 0.000 0.858 775 N CB -0.417 38.081 38.487 0.018 0.000 0.989 775 N HN 0.304 nan 8.380 nan 0.000 0.426 776 L N 1.589 122.798 121.223 -0.023 0.000 2.042 776 L HA -0.142 4.186 4.340 -0.021 0.000 0.210 776 L C 2.041 178.831 176.870 -0.134 0.000 1.076 776 L CA 1.763 56.563 54.840 -0.066 0.000 0.749 776 L CB -0.619 41.396 42.059 -0.074 0.000 0.893 776 L HN 0.249 nan 8.230 nan 0.000 0.432 777 E N -1.508 118.605 120.200 -0.145 0.000 2.110 777 E HA -0.228 4.110 4.350 -0.021 0.000 0.193 777 E C 2.232 178.720 176.600 -0.186 0.000 0.988 777 E CA 1.234 57.532 56.400 -0.170 0.000 0.804 777 E CB -0.084 29.512 29.700 -0.173 0.000 0.745 777 E HN 0.560 nan 8.360 nan 0.000 0.458 778 S N -0.015 115.543 115.700 -0.237 0.000 2.345 778 S HA -0.104 4.354 4.470 -0.021 0.000 0.220 778 S C 1.995 176.535 174.600 -0.101 0.000 1.031 778 S CA 0.969 59.049 58.200 -0.199 0.000 0.996 778 S CB -0.204 62.855 63.200 -0.234 0.000 0.882 778 S HN 0.259 nan 8.310 nan 0.000 0.445 779 L N 0.835 122.010 121.223 -0.081 0.000 2.017 779 L HA -0.044 4.284 4.340 -0.021 0.000 0.208 779 L C 2.348 179.183 176.870 -0.059 0.000 1.073 779 L CA 0.969 55.778 54.840 -0.052 0.000 0.745 779 L CB -0.522 41.508 42.059 -0.048 0.000 0.894 779 L HN 0.205 nan 8.230 nan 0.000 0.432 780 V N -0.481 119.383 119.914 -0.084 0.000 2.970 780 V HA -0.009 4.099 4.120 -0.021 0.000 0.260 780 V C 1.250 177.299 176.094 -0.074 0.000 1.100 780 V CA 1.186 63.434 62.300 -0.085 0.000 1.122 780 V CB -0.521 31.227 31.823 -0.126 0.000 0.721 780 V HN 0.487 nan 8.190 nan 0.000 0.483 781 G N -0.558 108.196 108.800 -0.076 0.000 3.107 781 G HA2 0.371 4.318 3.960 -0.021 0.000 0.232 781 G HA3 0.371 4.318 3.960 -0.021 0.000 0.232 781 G C -1.706 173.164 174.900 -0.049 0.000 1.339 781 G CA -0.080 44.981 45.100 -0.065 0.000 1.033 781 G HN 0.096 nan 8.290 nan 0.000 0.567 782 P HA -0.082 nan 4.420 nan 0.000 0.221 782 P C 1.123 178.400 177.300 -0.039 0.000 1.145 782 P CA 1.100 64.176 63.100 -0.039 0.000 0.795 782 P CB 0.268 31.945 31.700 -0.039 0.000 0.775 783 K N -0.780 119.592 120.400 -0.048 0.000 2.057 783 K HA -0.061 4.247 4.320 -0.021 0.000 0.206 783 K C 2.243 178.834 176.600 -0.016 0.000 1.050 783 K CA 1.490 57.750 56.287 -0.045 0.000 0.935 783 K CB -0.470 31.989 32.500 -0.070 0.000 0.715 783 K HN 0.186 nan 8.250 nan 0.000 0.439 784 C N -0.405 118.900 119.300 0.009 0.000 2.518 784 C HA 0.109 4.556 4.460 -0.021 0.000 0.283 784 C C 2.668 177.694 174.990 0.061 0.000 1.351 784 C CA 0.300 59.369 59.018 0.085 0.000 1.745 784 C CB -0.616 27.181 27.740 0.095 0.000 2.107 784 C HN 0.678 nan 8.230 nan 0.000 0.502 785 G N 0.121 108.928 108.800 0.013 0.000 2.422 785 G HA2 -0.166 3.781 3.960 -0.021 0.000 0.218 785 G HA3 -0.166 3.781 3.960 -0.021 0.000 0.218 785 G C 1.501 176.396 174.900 -0.008 0.000 1.140 785 G CA 0.565 45.665 45.100 0.001 0.000 0.775 785 G HN 0.656 nan 8.290 nan 0.000 0.545 786 E N -0.805 119.382 120.200 -0.022 0.000 2.442 786 E HA 0.118 4.455 4.350 -0.021 0.000 0.195 786 E C 0.236 176.795 176.600 -0.067 0.000 1.030 786 E CA -0.576 55.798 56.400 -0.042 0.000 0.869 786 E CB 0.174 29.845 29.700 -0.048 0.000 0.857 786 E HN 0.266 nan 8.360 nan 0.000 0.505 787 L N 2.286 123.477 121.223 -0.052 0.000 2.462 787 L HA 0.052 4.380 4.340 -0.021 0.000 0.272 787 L C -0.492 176.325 176.870 -0.088 0.000 1.166 787 L CA 0.613 55.398 54.840 -0.092 0.000 0.880 787 L CB 0.281 42.298 42.059 -0.071 0.000 1.142 787 L HN -0.246 nan 8.230 nan 0.000 0.473 788 K N 5.221 125.499 120.400 -0.205 0.000 2.206 788 K HA 0.731 5.038 4.320 -0.021 0.000 0.264 788 K C -1.036 175.513 176.600 -0.084 0.000 0.967 788 K CA -0.737 55.446 56.287 -0.174 0.000 0.844 788 K CB 1.949 34.248 32.500 -0.335 0.000 1.099 788 K HN 0.537 nan 8.250 nan 0.000 0.441 789 V N -0.836 119.121 119.914 0.072 0.000 3.202 789 V HA 0.402 4.509 4.120 -0.021 0.000 0.306 789 V C 0.256 176.456 176.094 0.177 0.000 1.283 789 V CA -1.064 61.315 62.300 0.133 0.000 1.065 789 V CB 1.762 33.632 31.823 0.077 0.000 1.079 789 V HN 0.665 nan 8.190 nan 0.000 0.448 790 K N 0.138 120.662 120.400 0.208 0.000 2.074 790 K HA 0.237 4.544 4.320 -0.021 0.000 0.214 790 K C -0.429 176.278 176.600 0.177 0.000 1.029 790 K CA 0.946 57.342 56.287 0.182 0.000 0.966 790 K CB -0.181 32.435 32.500 0.193 0.000 0.945 790 K HN 0.798 nan 8.250 nan 0.000 0.453 791 D N 1.590 122.110 120.400 0.200 0.000 2.493 791 D HA 0.159 4.787 4.640 -0.021 0.000 0.235 791 D C -2.122 174.302 176.300 0.208 0.000 1.117 791 D CA -1.538 52.533 54.000 0.119 0.000 0.930 791 D CB 1.319 42.116 40.800 -0.005 0.000 1.010 791 D HN -0.022 nan 8.370 nan 0.000 0.514 792 P HA -0.261 nan 4.420 nan 0.000 0.218 792 P C 1.520 179.030 177.300 0.351 0.000 1.152 792 P CA 1.059 64.412 63.100 0.422 0.000 0.857 792 P CB 0.339 32.244 31.700 0.342 0.000 0.787 793 Q N -0.770 119.124 119.800 0.156 0.000 2.119 793 Q HA -0.086 4.242 4.340 -0.021 0.000 0.201 793 Q C 2.160 178.160 176.000 -0.000 0.000 0.972 793 Q CA 1.449 57.297 55.803 0.076 0.000 0.847 793 Q CB -0.795 27.959 28.738 0.026 0.000 0.903 793 Q HN 0.263 nan 8.270 nan 0.000 0.433 794 S N 0.273 115.884 115.700 -0.149 0.000 2.462 794 S HA -0.155 4.303 4.470 -0.021 0.000 0.243 794 S C 0.883 175.195 174.600 -0.479 0.000 1.003 794 S CA 1.061 59.027 58.200 -0.390 0.000 0.970 794 S CB -0.231 62.579 63.200 -0.649 0.000 0.762 794 S HN 0.419 nan 8.310 nan 0.000 0.510 795 Y N 0.317 120.658 120.300 0.068 0.000 2.531 795 Y HA 0.358 4.896 4.550 -0.021 0.000 0.249 795 Y C 1.099 177.053 175.900 0.090 0.000 1.168 795 Y CA -0.677 57.459 58.100 0.059 0.000 1.226 795 Y CB -0.244 38.242 38.460 0.044 0.000 1.177 795 Y HN 0.019 nan 8.280 nan 0.000 0.527 796 S N 0.272 116.082 115.700 0.183 0.000 3.672 796 S HA -0.261 4.197 4.470 -0.021 0.000 0.319 796 S C -0.396 174.347 174.600 0.237 0.000 1.151 796 S CA 0.401 58.697 58.200 0.160 0.000 0.911 796 S CB -2.041 61.231 63.200 0.121 0.000 0.939 796 S HN 0.459 nan 8.310 nan 0.000 0.524 797 F N 3.505 123.516 119.950 0.103 0.000 2.303 797 F HA 0.489 5.003 4.527 -0.021 0.000 0.368 797 F C -0.209 175.626 175.800 0.057 0.000 1.105 797 F CA -1.195 56.854 58.000 0.082 0.000 1.153 797 F CB 0.354 39.417 39.000 0.105 0.000 1.362 797 F HN 0.048 nan 8.300 nan 0.000 0.511 798 N N 8.607 127.104 118.700 -0.339 0.000 2.682 798 N HA 0.192 4.920 4.740 -0.021 0.000 0.252 798 N C -2.265 172.979 175.510 -0.444 0.000 1.081 798 N CA -1.231 51.602 53.050 -0.361 0.000 0.844 798 N CB 1.437 39.838 38.487 -0.143 0.000 1.167 798 N HN 0.352 nan 8.380 nan 0.000 0.523 799 P HA -0.116 nan 4.420 nan 0.000 0.222 799 P C 0.907 178.079 177.300 -0.212 0.000 1.147 799 P CA 1.026 63.865 63.100 -0.436 0.000 0.790 799 P CB 0.655 32.083 31.700 -0.455 0.000 0.780 800 K N 0.227 120.514 120.400 -0.188 0.000 2.044 800 K HA -0.057 4.251 4.320 -0.021 0.000 0.204 800 K C 1.779 178.327 176.600 -0.086 0.000 1.049 800 K CA 1.093 57.314 56.287 -0.109 0.000 0.945 800 K CB -1.071 31.372 32.500 -0.095 0.000 0.724 800 K HN 0.105 nan 8.250 nan 0.000 0.440 801 D N 1.319 121.662 120.400 -0.095 0.000 2.092 801 D HA -0.152 4.475 4.640 -0.021 0.000 0.193 801 D C 1.970 178.240 176.300 -0.050 0.000 0.994 801 D CA 0.718 54.678 54.000 -0.066 0.000 0.828 801 D CB -0.316 40.449 40.800 -0.058 0.000 0.963 801 D HN -0.047 nan 8.370 nan 0.000 0.450 802 L N 0.569 121.754 121.223 -0.064 0.000 2.012 802 L HA -0.134 4.194 4.340 -0.021 0.000 0.210 802 L C 2.170 179.029 176.870 -0.019 0.000 1.073 802 L CA 1.293 56.110 54.840 -0.039 0.000 0.748 802 L CB -0.777 41.253 42.059 -0.048 0.000 0.891 802 L HN 0.058 nan 8.230 nan 0.000 0.431 803 L N -0.447 120.759 121.223 -0.028 0.000 2.131 803 L HA -0.196 4.132 4.340 -0.021 0.000 0.210 803 L C 2.435 179.338 176.870 0.055 0.000 1.092 803 L CA 2.051 56.894 54.840 0.005 0.000 0.759 803 L CB -0.785 41.266 42.059 -0.014 0.000 0.903 803 L HN 0.318 nan 8.230 nan 0.000 0.435 804 K N -0.100 120.318 120.400 0.030 0.000 2.103 804 K HA 0.058 4.366 4.320 -0.021 0.000 0.204 804 K C 1.919 178.570 176.600 0.084 0.000 1.052 804 K CA 1.426 57.742 56.287 0.048 0.000 0.945 804 K CB -0.373 32.094 32.500 -0.055 0.000 0.722 804 K HN 0.357 nan 8.250 nan 0.000 0.443 805 A N 0.584 123.428 122.820 0.039 0.000 1.930 805 A HA 0.002 4.309 4.320 -0.021 0.000 0.215 805 A C 2.026 179.634 177.584 0.041 0.000 1.176 805 A CA 1.195 53.253 52.037 0.035 0.000 0.632 805 A CB -0.667 18.334 19.000 0.003 0.000 0.819 805 A HN 0.346 nan 8.150 nan 0.000 0.445 806 L N 0.848 122.093 121.223 0.036 0.000 1.970 806 L HA -0.166 4.162 4.340 -0.021 0.000 0.212 806 L C 2.720 179.655 176.870 0.109 0.000 1.071 806 L CA 3.253 58.098 54.840 0.010 0.000 0.751 806 L CB -1.361 40.717 42.059 0.032 0.000 0.889 806 L HN 0.550 nan 8.230 nan 0.000 0.432 807 T N -4.721 109.985 114.554 0.253 0.000 2.803 807 T HA -0.200 4.137 4.350 -0.021 0.000 0.269 807 T C 1.771 176.645 174.700 0.289 0.000 1.052 807 T CA 1.882 64.210 62.100 0.379 0.000 1.136 807 T CB -1.282 67.786 68.868 0.334 0.000 0.864 807 T HN 0.418 nan 8.240 nan 0.000 0.467 808 T N 1.655 116.399 114.554 0.317 0.000 2.821 808 T HA -0.018 4.320 4.350 -0.021 0.000 0.267 808 T C 2.142 176.872 174.700 0.050 0.000 1.046 808 T CA 1.095 63.364 62.100 0.282 0.000 1.139 808 T CB -0.580 68.455 68.868 0.279 0.000 0.871 808 T HN 0.280 nan 8.240 nan 0.000 0.454 809 V N 0.536 120.414 119.914 -0.060 0.000 2.282 809 V HA -0.234 3.874 4.120 -0.021 0.000 0.249 809 V C 2.082 177.968 176.094 -0.346 0.000 1.057 809 V CA 1.697 63.846 62.300 -0.252 0.000 1.032 809 V CB -0.843 30.738 31.823 -0.402 0.000 0.645 809 V HN 0.461 nan 8.190 nan 0.000 0.447 810 Y N -0.119 120.032 120.300 -0.249 0.000 2.053 810 Y HA -0.261 4.278 4.550 -0.020 0.000 0.277 810 Y C 2.389 177.993 175.900 -0.494 0.000 1.159 810 Y CA 2.069 59.929 58.100 -0.400 0.000 1.125 810 Y CB -0.690 37.535 38.460 -0.393 0.000 0.969 810 Y HN 0.124 nan 8.280 nan 0.000 0.492 811 I N 0.108 120.578 120.570 -0.166 0.000 2.248 811 I HA -0.387 3.770 4.170 -0.021 0.000 0.248 811 I C 1.751 177.808 176.117 -0.100 0.000 1.107 811 I CA 1.784 62.990 61.300 -0.158 0.000 1.373 811 I CB -0.559 37.331 38.000 -0.185 0.000 1.055 811 I HN 0.392 nan 8.210 nan 0.000 0.418 812 N N 0.367 119.003 118.700 -0.107 0.000 2.453 812 N HA -0.061 4.666 4.740 -0.021 0.000 0.183 812 N C 1.358 176.793 175.510 -0.125 0.000 1.041 812 N CA 0.674 53.677 53.050 -0.078 0.000 0.900 812 N CB 0.203 38.647 38.487 -0.070 0.000 0.961 812 N HN 0.353 nan 8.380 nan 0.000 0.443 813 L N -0.300 120.769 121.223 -0.256 0.000 2.858 813 L HA 0.139 4.467 4.340 -0.021 0.000 0.251 813 L C 1.554 178.415 176.870 -0.014 0.000 1.149 813 L CA -0.067 54.580 54.840 -0.323 0.000 0.955 813 L CB 0.393 41.838 42.059 -1.024 0.000 1.289 813 L HN 0.058 nan 8.230 nan 0.000 0.542 814 S N -1.032 114.700 115.700 0.053 0.000 2.653 814 S HA -0.072 4.385 4.470 -0.021 0.000 0.233 814 S C 1.074 175.842 174.600 0.280 0.000 0.970 814 S CA 0.652 59.046 58.200 0.324 0.000 0.947 814 S CB -0.257 63.101 63.200 0.262 0.000 0.771 814 S HN 0.515 nan 8.310 nan 0.000 0.538 815 E N 0.225 120.529 120.200 0.174 0.000 2.526 815 E HA 0.127 4.465 4.350 -0.021 0.000 0.208 815 E C -0.430 176.244 176.600 0.122 0.000 0.997 815 E CA -0.167 56.309 56.400 0.126 0.000 0.961 815 E CB 0.358 30.106 29.700 0.080 0.000 1.030 815 E HN 0.451 nan 8.360 nan 0.000 0.483 816 Q N 0.673 120.575 119.800 0.170 0.000 2.368 816 Q HA 0.125 4.452 4.340 -0.021 0.000 0.256 816 Q C 0.928 177.031 176.000 0.171 0.000 0.980 816 Q CA -0.130 55.765 55.803 0.153 0.000 0.887 816 Q CB 1.558 30.394 28.738 0.164 0.000 1.221 816 Q HN 0.145 nan 8.270 nan 0.000 0.458 817 S N 2.440 118.200 115.700 0.099 0.000 2.383 817 S HA -0.263 4.194 4.470 -0.021 0.000 0.229 817 S C 1.117 175.751 174.600 0.057 0.000 1.030 817 S CA 1.606 59.843 58.200 0.062 0.000 1.002 817 S CB 0.030 63.249 63.200 0.032 0.000 0.829 817 S HN 0.562 nan 8.310 nan 0.000 0.467 818 E N 0.884 121.125 120.200 0.069 0.000 2.085 818 E HA -0.040 4.298 4.350 -0.021 0.000 0.194 818 E C 1.627 178.250 176.600 0.038 0.000 0.994 818 E CA 1.338 57.760 56.400 0.036 0.000 0.801 818 E CB -0.527 29.190 29.700 0.028 0.000 0.743 818 E HN 0.667 nan 8.360 nan 0.000 0.453 819 F N 1.003 120.946 119.950 -0.011 0.000 2.128 819 F HA -0.079 4.435 4.527 -0.022 0.000 0.295 819 F C 2.043 177.892 175.800 0.081 0.000 1.100 819 F CA 1.025 59.038 58.000 0.021 0.000 1.260 819 F CB -0.301 38.740 39.000 0.069 0.000 1.009 819 F HN 0.080 nan 8.300 nan 0.000 0.476 820 I N -0.538 120.027 120.570 -0.009 0.000 2.361 820 I HA -0.150 4.007 4.170 -0.021 0.000 0.251 820 I C 2.346 178.282 176.117 -0.301 0.000 1.133 820 I CA 2.014 63.191 61.300 -0.206 0.000 1.413 820 I CB -1.120 36.806 38.000 -0.122 0.000 1.073 820 I HN 0.194 nan 8.210 nan 0.000 0.424 821 S N 0.636 116.234 115.700 -0.169 0.000 2.368 821 S HA -0.057 4.400 4.470 -0.021 0.000 0.224 821 S C 2.303 176.829 174.600 -0.124 0.000 1.029 821 S CA 1.175 59.298 58.200 -0.128 0.000 0.988 821 S CB -0.762 62.420 63.200 -0.029 0.000 0.838 821 S HN 0.703 nan 8.310 nan 0.000 0.462 822 A N 0.914 123.646 122.820 -0.147 0.000 1.902 822 A HA -0.002 4.306 4.320 -0.021 0.000 0.217 822 A C 2.350 179.830 177.584 -0.173 0.000 1.181 822 A CA 1.811 53.786 52.037 -0.103 0.000 0.623 822 A CB -1.119 17.708 19.000 -0.288 0.000 0.818 822 A HN 0.458 nan 8.150 nan 0.000 0.443 823 V N -0.199 119.475 119.914 -0.399 0.000 2.343 823 V HA -0.249 3.859 4.120 -0.021 0.000 0.247 823 V C 3.025 178.767 176.094 -0.587 0.000 1.051 823 V CA 1.960 64.030 62.300 -0.383 0.000 1.036 823 V CB -1.125 30.460 31.823 -0.398 0.000 0.654 823 V HN 0.624 nan 8.190 nan 0.000 0.451 824 A N -0.457 121.959 122.820 -0.673 0.000 1.930 824 A HA -0.175 4.132 4.320 -0.021 0.000 0.217 824 A C 2.172 179.537 177.584 -0.366 0.000 1.175 824 A CA 1.496 53.059 52.037 -0.790 0.000 0.627 824 A CB -0.349 18.337 19.000 -0.523 0.000 0.815 824 A HN 0.532 nan 8.150 nan 0.000 0.443 825 K N -0.007 120.289 120.400 -0.173 0.000 2.525 825 K HA -0.038 4.269 4.320 -0.021 0.000 0.192 825 K C -0.233 176.376 176.600 0.015 0.000 1.029 825 K CA 0.367 56.630 56.287 -0.040 0.000 1.029 825 K CB -0.066 32.447 32.500 0.021 0.000 0.814 825 K HN 0.394 nan 8.250 nan 0.000 0.503 826 D N 1.982 122.396 120.400 0.024 0.000 2.455 826 D HA -0.017 4.611 4.640 -0.021 0.000 0.234 826 D C 0.572 176.961 176.300 0.148 0.000 1.224 826 D CA 0.247 54.310 54.000 0.105 0.000 0.999 826 D CB 0.332 41.220 40.800 0.146 0.000 1.072 826 D HN 0.089 nan 8.370 nan 0.000 0.514 827 E N 2.196 122.455 120.200 0.098 0.000 2.065 827 E HA -0.287 4.050 4.350 -0.021 0.000 0.201 827 E C 1.785 178.447 176.600 0.103 0.000 1.016 827 E CA 0.843 57.298 56.400 0.092 0.000 0.818 827 E CB 0.088 29.816 29.700 0.046 0.000 0.749 827 E HN 0.449 nan 8.360 nan 0.000 0.453 828 R N 0.109 120.666 120.500 0.096 0.000 2.097 828 R HA -0.157 4.170 4.340 -0.021 0.000 0.236 828 R C 1.964 178.339 176.300 0.126 0.000 1.135 828 R CA 2.138 58.297 56.100 0.099 0.000 0.934 828 R CB -0.011 30.343 30.300 0.090 0.000 0.846 828 R HN 0.055 nan 8.270 nan 0.000 0.431 829 S N -0.974 114.827 115.700 0.168 0.000 2.564 829 S HA 0.090 4.547 4.470 -0.021 0.000 0.231 829 S C 0.066 174.763 174.600 0.162 0.000 1.067 829 S CA -0.636 57.663 58.200 0.164 0.000 0.908 829 S CB 0.142 63.469 63.200 0.210 0.000 0.809 829 S HN 0.283 nan 8.310 nan 0.000 0.491 830 F N 3.962 123.970 119.950 0.097 0.000 2.629 830 F HA 0.323 4.837 4.527 -0.020 0.000 0.377 830 F C 0.099 175.948 175.800 0.082 0.000 1.101 830 F CA 0.037 58.104 58.000 0.112 0.000 1.301 830 F CB 0.021 39.079 39.000 0.097 0.000 1.062 830 F HN 0.119 nan 8.300 nan 0.000 0.583 831 N N 3.836 121.908 118.700 -1.047 0.000 2.666 831 N HA 0.161 4.889 4.740 -0.021 0.000 0.260 831 N C 0.203 175.276 175.510 -0.729 0.000 1.077 831 N CA -0.643 51.915 53.050 -0.821 0.000 1.026 831 N CB 0.992 39.283 38.487 -0.327 0.000 1.653 831 N HN 0.636 nan 8.380 nan 0.000 0.533 832 R N 2.468 122.606 120.500 -0.602 0.000 2.105 832 R HA -0.095 4.233 4.340 -0.021 0.000 0.239 832 R C 1.274 177.563 176.300 -0.017 0.000 1.135 832 R CA 1.604 57.591 56.100 -0.189 0.000 0.967 832 R CB -0.216 30.014 30.300 -0.116 0.000 0.861 832 R HN 0.692 nan 8.270 nan 0.000 0.442 833 N N 0.557 119.202 118.700 -0.092 0.000 2.430 833 N HA -0.164 4.564 4.740 -0.021 0.000 0.186 833 N C 1.584 177.054 175.510 -0.067 0.000 1.032 833 N CA 0.791 53.806 53.050 -0.059 0.000 0.893 833 N CB 0.052 38.495 38.487 -0.074 0.000 0.957 833 N HN 0.336 nan 8.380 nan 0.000 0.442 834 L N -0.572 120.580 121.223 -0.118 0.000 2.093 834 L HA -0.110 4.217 4.340 -0.021 0.000 0.208 834 L C 1.677 178.372 176.870 -0.293 0.000 1.085 834 L CA 0.962 55.661 54.840 -0.235 0.000 0.755 834 L CB -0.432 41.408 42.059 -0.364 0.000 0.904 834 L HN 0.109 nan 8.230 nan 0.000 0.435 835 F N -1.274 118.616 119.950 -0.100 0.000 2.367 835 F HA -0.102 4.412 4.527 -0.021 0.000 0.298 835 F C 2.314 178.085 175.800 -0.048 0.000 1.094 835 F CA 0.551 58.507 58.000 -0.073 0.000 1.409 835 F CB -0.525 38.433 39.000 -0.069 0.000 1.064 835 F HN -0.235 nan 8.300 nan 0.000 0.528 836 V N 0.380 120.358 119.914 0.106 0.000 2.358 836 V HA -0.221 3.886 4.120 -0.021 0.000 0.246 836 V C 2.479 178.583 176.094 0.017 0.000 1.047 836 V CA 1.606 63.936 62.300 0.051 0.000 1.035 836 V CB -0.421 31.415 31.823 0.021 0.000 0.658 836 V HN 0.237 nan 8.190 nan 0.000 0.452 837 R N 0.364 120.853 120.500 -0.018 0.000 2.075 837 R HA -0.021 4.307 4.340 -0.021 0.000 0.232 837 R C 2.416 178.700 176.300 -0.027 0.000 1.126 837 R CA 1.455 57.536 56.100 -0.032 0.000 0.963 837 R CB -1.007 29.257 30.300 -0.060 0.000 0.858 837 R HN 0.517 nan 8.270 nan 0.000 0.435 838 A N 1.052 123.846 122.820 -0.043 0.000 1.883 838 A HA -0.119 4.189 4.320 -0.021 0.000 0.217 838 A C 2.452 180.058 177.584 0.036 0.000 1.186 838 A CA 1.580 53.603 52.037 -0.023 0.000 0.624 838 A CB -0.693 18.270 19.000 -0.062 0.000 0.822 838 A HN 0.106 nan 8.150 nan 0.000 0.444 839 V N 0.682 120.630 119.914 0.057 0.000 2.594 839 V HA -0.218 3.890 4.120 -0.021 0.000 0.253 839 V C 2.333 178.458 176.094 0.051 0.000 1.069 839 V CA 2.254 64.598 62.300 0.075 0.000 1.082 839 V CB -0.576 31.291 31.823 0.075 0.000 0.680 839 V HN 0.675 nan 8.190 nan 0.000 0.469 840 D N 0.015 120.433 120.400 0.030 0.000 2.103 840 D HA -0.106 4.522 4.640 -0.021 0.000 0.199 840 D C 2.089 178.398 176.300 0.014 0.000 0.978 840 D CA 1.261 55.272 54.000 0.017 0.000 0.829 840 D CB 0.093 40.896 40.800 0.005 0.000 0.981 840 D HN 0.429 nan 8.370 nan 0.000 0.464 841 I N 0.649 121.225 120.570 0.009 0.000 2.179 841 I HA -0.244 3.914 4.170 -0.021 0.000 0.242 841 I C 2.430 178.554 176.117 0.012 0.000 1.088 841 I CA 0.653 61.955 61.300 0.003 0.000 1.357 841 I CB -0.116 37.878 38.000 -0.009 0.000 1.051 841 I HN 0.014 nan 8.210 nan 0.000 0.409 842 L N 0.239 121.482 121.223 0.034 0.000 2.376 842 L HA -0.035 4.293 4.340 -0.021 0.000 0.219 842 L C 2.066 178.960 176.870 0.040 0.000 1.133 842 L CA 0.797 55.664 54.840 0.046 0.000 0.816 842 L CB -0.643 41.480 42.059 0.106 0.000 0.933 842 L HN 0.280 nan 8.230 nan 0.000 0.449 843 G N -0.848 107.975 108.800 0.039 0.000 3.371 843 G HA2 0.090 4.038 3.960 -0.021 0.000 0.248 843 G HA3 0.090 4.038 3.960 -0.021 0.000 0.248 843 G C 1.427 176.337 174.900 0.018 0.000 1.161 843 G CA -0.277 44.843 45.100 0.033 0.000 0.796 843 G HN 0.244 nan 8.290 nan 0.000 0.539 844 R N -0.260 120.246 120.500 0.010 0.000 2.098 844 R HA 0.232 4.559 4.340 -0.021 0.000 0.203 844 R C 0.321 176.620 176.300 -0.002 0.000 1.166 844 R CA 0.286 56.388 56.100 0.003 0.000 1.090 844 R CB 0.285 30.585 30.300 -0.001 0.000 0.992 844 R HN 0.068 nan 8.270 nan 0.000 0.477 845 K N 1.315 121.711 120.400 -0.007 0.000 2.130 845 K HA 0.227 4.535 4.320 -0.021 0.000 0.268 845 K C -0.734 175.857 176.600 -0.016 0.000 0.983 845 K CA -0.252 56.027 56.287 -0.012 0.000 0.893 845 K CB 1.861 34.350 32.500 -0.018 0.000 1.066 845 K HN -0.078 nan 8.250 nan 0.000 0.450 846 T N 1.888 116.432 114.554 -0.017 0.000 3.058 846 T HA 0.160 4.498 4.350 -0.021 0.000 0.249 846 T C 0.291 174.970 174.700 -0.036 0.000 0.949 846 T CA -0.206 61.881 62.100 -0.022 0.000 1.204 846 T CB -0.274 68.583 68.868 -0.018 0.000 0.963 846 T HN 0.776 nan 8.240 nan 0.000 0.634 847 G N 3.750 112.521 108.800 -0.047 0.000 3.627 847 G HA2 0.506 4.454 3.960 -0.021 0.000 0.295 847 G HA3 0.506 4.454 3.960 -0.021 0.000 0.295 847 G C -0.869 173.962 174.900 -0.115 0.000 2.784 847 G CA -0.916 44.139 45.100 -0.074 0.000 0.644 847 G HN 0.869 nan 8.290 nan 0.000 0.341 848 L N -1.153 119.976 121.223 -0.156 0.000 4.183 848 L HA 0.594 4.921 4.340 -0.021 0.000 0.258 848 L C 0.536 177.258 176.870 -0.247 0.000 1.023 848 L CA -0.698 53.966 54.840 -0.293 0.000 1.100 848 L CB 0.284 42.233 42.059 -0.183 0.000 1.868 848 L HN 0.575 nan 8.230 nan 0.000 0.511 849 A N 1.594 124.182 122.820 -0.387 0.000 2.310 849 A HA 0.101 4.408 4.320 -0.021 0.000 0.206 849 A C 1.323 178.943 177.584 0.060 0.000 1.253 849 A CA 1.071 53.026 52.037 -0.135 0.000 0.768 849 A CB -1.182 17.758 19.000 -0.100 0.000 0.755 849 A HN 1.116 nan 8.150 nan 0.000 0.505 850 S N -0.074 115.678 115.700 0.086 0.000 2.641 850 S HA 0.235 4.693 4.470 -0.021 0.000 0.251 850 S C -1.226 173.427 174.600 0.089 0.000 1.332 850 S CA -0.274 58.023 58.200 0.162 0.000 0.968 850 S CB -0.046 63.245 63.200 0.151 0.000 0.987 850 S HN 0.308 nan 8.310 nan 0.000 0.587 851 P HA 0.181 nan 4.420 nan 0.000 0.253 851 P C 0.160 177.522 177.300 0.104 0.000 1.260 851 P CA 0.343 63.498 63.100 0.093 0.000 0.800 851 P CB -0.020 31.716 31.700 0.060 0.000 1.162 852 E N -0.796 119.474 120.200 0.116 0.000 2.158 852 E HA -0.061 4.277 4.350 -0.021 0.000 0.191 852 E C 1.544 178.232 176.600 0.146 0.000 0.982 852 E CA 0.739 57.204 56.400 0.107 0.000 0.823 852 E CB -0.886 28.872 29.700 0.096 0.000 0.766 852 E HN 0.199 nan 8.360 nan 0.000 0.468 853 F N 1.016 120.985 119.950 0.032 0.000 2.084 853 F HA -0.098 4.416 4.527 -0.021 0.000 0.296 853 F C 1.840 177.670 175.800 0.050 0.000 1.111 853 F CA 1.325 59.349 58.000 0.039 0.000 1.224 853 F CB -0.147 38.873 39.000 0.034 0.000 0.991 853 F HN -0.075 nan 8.300 nan 0.000 0.471 854 I N 0.265 120.973 120.570 0.231 0.000 2.335 854 I HA -0.280 3.877 4.170 -0.021 0.000 0.251 854 I C 2.293 178.427 176.117 0.029 0.000 1.129 854 I CA 1.622 62.991 61.300 0.115 0.000 1.402 854 I CB -0.507 37.577 38.000 0.139 0.000 1.069 854 I HN 0.258 nan 8.210 nan 0.000 0.424 855 E N 1.715 121.937 120.200 0.038 0.000 2.028 855 E HA -0.215 4.123 4.350 -0.021 0.000 0.191 855 E C 2.093 178.684 176.600 -0.015 0.000 0.988 855 E CA 1.630 58.041 56.400 0.019 0.000 0.799 855 E CB -0.034 29.686 29.700 0.034 0.000 0.755 855 E HN 0.257 nan 8.360 nan 0.000 0.447 856 K N -0.210 120.160 120.400 -0.050 0.000 2.057 856 K HA -0.151 4.156 4.320 -0.021 0.000 0.207 856 K C 2.228 178.779 176.600 -0.081 0.000 1.049 856 K CA 1.267 57.511 56.287 -0.072 0.000 0.931 856 K CB -0.330 32.099 32.500 -0.117 0.000 0.714 856 K HN 0.158 nan 8.250 nan 0.000 0.440 857 L N 1.527 122.646 121.223 -0.173 0.000 1.994 857 L HA -0.145 4.182 4.340 -0.021 0.000 0.208 857 L C 2.065 178.939 176.870 0.006 0.000 1.071 857 L CA 1.424 56.208 54.840 -0.093 0.000 0.745 857 L CB -0.434 41.550 42.059 -0.126 0.000 0.892 857 L HN 0.144 nan 8.230 nan 0.000 0.431 858 L N -0.504 120.719 121.223 0.001 0.000 2.127 858 L HA -0.273 4.055 4.340 -0.021 0.000 0.211 858 L C 2.182 179.030 176.870 -0.037 0.000 1.089 858 L CA 1.472 56.311 54.840 -0.002 0.000 0.757 858 L CB -0.363 41.703 42.059 0.012 0.000 0.899 858 L HN 0.458 nan 8.230 nan 0.000 0.434 859 N N -0.518 118.171 118.700 -0.018 0.000 2.062 859 N HA -0.250 4.478 4.740 -0.021 0.000 0.191 859 N C 1.603 177.082 175.510 -0.051 0.000 1.042 859 N CA 1.468 54.504 53.050 -0.023 0.000 0.845 859 N CB -0.341 38.150 38.487 0.006 0.000 1.024 859 N HN 0.267 nan 8.380 nan 0.000 0.424 860 F N 1.352 121.208 119.950 -0.156 0.000 2.065 860 F HA -0.207 4.307 4.527 -0.021 0.000 0.298 860 F C 2.106 177.706 175.800 -0.333 0.000 1.112 860 F CA 1.763 59.645 58.000 -0.197 0.000 1.212 860 F CB -0.761 38.132 39.000 -0.177 0.000 0.975 860 F HN 0.086 nan 8.300 nan 0.000 0.476 861 A N 0.443 122.976 122.820 -0.478 0.000 1.948 861 A HA -0.257 4.050 4.320 -0.021 0.000 0.220 861 A C 2.062 179.403 177.584 -0.405 0.000 1.177 861 A CA 2.081 53.695 52.037 -0.705 0.000 0.636 861 A CB -0.940 17.745 19.000 -0.525 0.000 0.815 861 A HN 0.579 nan 8.150 nan 0.000 0.449 862 N N -0.118 118.419 118.700 -0.273 0.000 2.135 862 N HA -0.087 4.641 4.740 -0.021 0.000 0.186 862 N C 1.610 176.992 175.510 -0.214 0.000 1.027 862 N CA 1.422 54.365 53.050 -0.178 0.000 0.849 862 N CB -0.376 38.044 38.487 -0.112 0.000 1.002 862 N HN 0.548 nan 8.380 nan 0.000 0.425 863 K N 0.934 121.167 120.400 -0.278 0.000 2.103 863 K HA -0.023 4.284 4.320 -0.021 0.000 0.207 863 K C 2.019 178.401 176.600 -0.364 0.000 1.048 863 K CA 1.135 57.257 56.287 -0.275 0.000 0.930 863 K CB -0.103 32.241 32.500 -0.261 0.000 0.716 863 K HN 0.129 nan 8.250 nan 0.000 0.444 864 A N 1.536 124.016 122.820 -0.567 0.000 1.858 864 A HA -0.230 4.077 4.320 -0.021 0.000 0.216 864 A C 2.088 179.484 177.584 -0.313 0.000 1.190 864 A CA 1.879 53.540 52.037 -0.626 0.000 0.617 864 A CB -0.451 18.044 19.000 -0.842 0.000 0.827 864 A HN 0.299 nan 8.150 nan 0.000 0.443 865 E N 0.166 120.324 120.200 -0.070 0.000 2.204 865 E HA -0.150 4.187 4.350 -0.021 0.000 0.194 865 E C 1.876 178.459 176.600 -0.027 0.000 0.989 865 E CA 1.501 57.943 56.400 0.069 0.000 0.824 865 E CB -0.199 29.535 29.700 0.056 0.000 0.756 865 E HN 0.675 nan 8.360 nan 0.000 0.477 866 E N -0.317 119.830 120.200 -0.089 0.000 2.107 866 E HA -0.188 4.150 4.350 -0.021 0.000 0.191 866 E C 1.923 178.473 176.600 -0.083 0.000 0.982 866 E CA 1.046 57.401 56.400 -0.075 0.000 0.809 866 E CB -0.032 29.618 29.700 -0.083 0.000 0.756 866 E HN 0.228 nan 8.360 nan 0.000 0.459 867 Q N 1.458 121.178 119.800 -0.133 0.000 2.170 867 Q HA -0.153 4.174 4.340 -0.021 0.000 0.203 867 Q C 1.952 177.887 176.000 -0.108 0.000 0.976 867 Q CA 1.449 57.172 55.803 -0.133 0.000 0.858 867 Q CB -0.107 28.511 28.738 -0.201 0.000 0.907 867 Q HN 0.073 nan 8.270 nan 0.000 0.433 868 R N -0.288 120.149 120.500 -0.104 0.000 2.062 868 R HA -0.052 4.276 4.340 -0.021 0.000 0.229 868 R C 1.946 178.239 176.300 -0.011 0.000 1.128 868 R CA 1.369 57.441 56.100 -0.047 0.000 0.960 868 R CB -0.001 30.322 30.300 0.039 0.000 0.855 868 R HN 0.139 nan 8.270 nan 0.000 0.432 869 K N -0.040 120.356 120.400 -0.006 0.000 2.097 869 K HA -0.096 4.212 4.320 -0.021 0.000 0.206 869 K C 2.020 178.618 176.600 -0.003 0.000 1.049 869 K CA 1.342 57.628 56.287 -0.001 0.000 0.933 869 K CB -0.074 32.424 32.500 -0.003 0.000 0.717 869 K HN 0.223 nan 8.250 nan 0.000 0.442 870 A N 1.759 124.572 122.820 -0.011 0.000 1.898 870 A HA -0.172 4.136 4.320 -0.021 0.000 0.216 870 A C 1.560 179.150 177.584 0.010 0.000 1.181 870 A CA 1.685 53.723 52.037 0.002 0.000 0.620 870 A CB -0.283 18.710 19.000 -0.012 0.000 0.819 870 A HN 0.152 nan 8.150 nan 0.000 0.442 871 D N -0.615 119.781 120.400 -0.006 0.000 2.178 871 D HA -0.134 4.494 4.640 -0.021 0.000 0.202 871 D C 1.855 178.156 176.300 0.003 0.000 0.974 871 D CA 1.405 55.404 54.000 -0.002 0.000 0.841 871 D CB -0.276 40.513 40.800 -0.018 0.000 0.953 871 D HN 0.755 nan 8.370 nan 0.000 0.478 872 E N 0.555 120.755 120.200 -0.001 0.000 2.072 872 E HA -0.214 4.124 4.350 -0.021 0.000 0.191 872 E C 1.847 178.440 176.600 -0.011 0.000 0.985 872 E CA 1.013 57.410 56.400 -0.005 0.000 0.801 872 E CB 0.157 29.855 29.700 -0.002 0.000 0.750 872 E HN 0.064 nan 8.360 nan 0.000 0.452 873 E N 0.899 121.098 120.200 -0.001 0.000 2.072 873 E HA -0.233 4.104 4.350 -0.021 0.000 0.191 873 E C 1.898 178.500 176.600 0.003 0.000 0.985 873 E CA 1.631 58.026 56.400 -0.007 0.000 0.801 873 E CB -0.192 29.524 29.700 0.026 0.000 0.750 873 E HN 0.204 nan 8.360 nan 0.000 0.452 874 E N 0.492 120.737 120.200 0.075 0.000 2.085 874 E HA -0.203 4.135 4.350 -0.021 0.000 0.194 874 E C 1.561 178.204 176.600 0.072 0.000 0.994 874 E CA 1.731 58.225 56.400 0.157 0.000 0.801 874 E CB -0.476 29.290 29.700 0.110 0.000 0.743 874 E HN 0.379 nan 8.360 nan 0.000 0.453 875 D N -0.621 119.788 120.400 0.015 0.000 2.084 875 D HA -0.121 4.506 4.640 -0.021 0.000 0.196 875 D C 0.757 177.030 176.300 -0.045 0.000 0.985 875 D CA 1.432 55.426 54.000 -0.011 0.000 0.826 875 D CB -0.023 40.765 40.800 -0.019 0.000 0.978 875 D HN 0.281 nan 8.370 nan 0.000 0.456 876 L N -1.479 119.703 121.223 -0.070 0.000 2.865 876 L HA 0.596 4.924 4.340 -0.021 0.000 0.233 876 L C 0.241 177.007 176.870 -0.172 0.000 1.320 876 L CA 0.124 54.908 54.840 -0.094 0.000 1.225 876 L CB 0.937 42.954 42.059 -0.071 0.000 1.542 876 L HN -0.139 nan 8.230 nan 0.000 0.432 877 E N -0.505 119.540 120.200 -0.259 0.000 1.637 877 E HA 0.069 4.407 4.350 -0.021 0.000 0.219 877 E C 0.340 176.539 176.600 -0.669 0.000 1.053 877 E CA 0.318 56.400 56.400 -0.530 0.000 1.275 877 E CB -0.080 29.146 29.700 -0.791 0.000 4.322 877 E HN 0.399 nan 8.360 nan 0.000 0.847 878 Y N -0.803 119.496 120.300 -0.001 0.000 2.588 878 Y HA 0.642 5.180 4.550 -0.021 0.000 0.247 878 Y C 0.603 176.505 175.900 0.004 0.000 1.157 878 Y CA 0.119 58.219 58.100 -0.000 0.000 1.215 878 Y CB 2.017 40.471 38.460 -0.010 0.000 1.245 878 Y HN 0.087 nan 8.280 nan 0.000 0.534 879 G N -0.066 108.776 108.800 0.070 0.000 3.164 879 G HA2 0.244 4.192 3.960 -0.021 0.000 0.312 879 G HA3 0.244 4.192 3.960 -0.021 0.000 0.312 879 G C -0.383 174.533 174.900 0.026 0.000 1.530 879 G CA -0.294 44.838 45.100 0.053 0.000 1.079 879 G HN 0.149 nan 8.290 nan 0.000 0.527 880 D N 1.755 122.191 120.400 0.061 0.000 2.144 880 D HA -0.095 4.533 4.640 -0.021 0.000 0.207 880 D C 1.369 177.720 176.300 0.085 0.000 0.970 880 D CA 0.498 54.550 54.000 0.086 0.000 0.853 880 D CB 0.262 41.144 40.800 0.136 0.000 1.007 880 D HN 0.194 nan 8.370 nan 0.000 0.469 881 V N 2.731 122.696 119.914 0.085 0.000 2.493 881 V HA 0.117 4.224 4.120 -0.021 0.000 0.292 881 V C -1.991 173.939 176.094 -0.275 0.000 1.016 881 V CA -0.852 61.393 62.300 -0.091 0.000 1.097 881 V CB 0.549 32.391 31.823 0.032 0.000 0.947 881 V HN 0.218 nan 8.190 nan 0.000 0.479 882 P HA 0.008 nan 4.420 nan 0.000 0.260 882 P C 0.730 177.699 177.300 -0.552 0.000 1.185 882 P CA 0.156 62.875 63.100 -0.635 0.000 0.763 882 P CB 0.355 31.403 31.700 -1.086 0.000 0.776 883 D N 3.298 123.506 120.400 -0.320 0.000 2.220 883 D HA -0.233 4.394 4.640 -0.021 0.000 0.198 883 D C 1.490 177.666 176.300 -0.206 0.000 1.001 883 D CA 1.495 55.377 54.000 -0.198 0.000 0.875 883 D CB 0.017 40.738 40.800 -0.130 0.000 0.921 883 D HN 0.671 nan 8.370 nan 0.000 0.454 884 E N 0.167 120.177 120.200 -0.316 0.000 2.338 884 E HA -0.133 4.205 4.350 -0.021 0.000 0.197 884 E C 1.707 178.324 176.600 0.027 0.000 1.007 884 E CA 0.603 56.892 56.400 -0.184 0.000 0.849 884 E CB -0.567 29.014 29.700 -0.199 0.000 0.774 884 E HN 0.404 nan 8.360 nan 0.000 0.506 885 F N 1.128 120.993 119.950 -0.141 0.000 2.743 885 F HA 0.218 4.732 4.527 -0.022 0.000 0.297 885 F C 0.954 176.700 175.800 -0.090 0.000 1.131 885 F CA -0.667 57.255 58.000 -0.130 0.000 1.426 885 F CB 0.329 39.198 39.000 -0.218 0.000 1.116 885 F HN -0.117 nan 8.300 nan 0.000 0.583 886 L N 0.766 122.030 121.223 0.068 0.000 2.350 886 L HA 0.158 4.486 4.340 -0.021 0.000 0.275 886 L C 0.320 177.169 176.870 -0.036 0.000 1.099 886 L CA -0.633 54.224 54.840 0.029 0.000 0.808 886 L CB 0.535 42.612 42.059 0.029 0.000 1.149 886 L HN -0.038 nan 8.230 nan 0.000 0.442 887 D N 4.509 124.883 120.400 -0.044 0.000 2.443 887 D HA 0.019 4.646 4.640 -0.021 0.000 0.239 887 D C -1.563 174.599 176.300 -0.230 0.000 1.136 887 D CA -1.223 52.727 54.000 -0.083 0.000 0.879 887 D CB 1.771 42.546 40.800 -0.043 0.000 1.195 887 D HN 0.315 nan 8.370 nan 0.000 0.443 888 P HA -0.093 nan 4.420 nan 0.000 0.218 888 P C 1.449 178.540 177.300 -0.348 0.000 1.149 888 P CA 0.922 63.888 63.100 -0.222 0.000 0.817 888 P CB 0.421 32.141 31.700 0.034 0.000 0.785 889 L N -2.405 118.696 121.223 -0.203 0.000 2.575 889 L HA 0.198 4.525 4.340 -0.021 0.000 0.228 889 L C 2.384 179.226 176.870 -0.047 0.000 1.075 889 L CA 0.373 55.131 54.840 -0.136 0.000 0.867 889 L CB -0.332 41.676 42.059 -0.086 0.000 1.097 889 L HN -0.151 nan 8.230 nan 0.000 0.485 890 M N -1.671 117.897 119.600 -0.054 0.000 2.421 890 M HA 0.153 4.620 4.480 -0.021 0.000 0.258 890 M C 0.479 176.920 176.300 0.235 0.000 1.122 890 M CA 0.295 55.657 55.300 0.103 0.000 1.078 890 M CB -0.153 32.484 32.600 0.061 0.000 1.380 890 M HN 0.104 nan 8.290 nan 0.000 0.499 891 Y N -0.042 120.279 120.300 0.034 0.000 4.881 891 Y HA -0.253 4.285 4.550 -0.020 0.000 0.241 891 Y C 0.816 176.739 175.900 0.037 0.000 0.985 891 Y CA 0.859 58.978 58.100 0.031 0.000 1.976 891 Y CB -2.633 35.842 38.460 0.025 0.000 1.528 891 Y HN 0.337 nan 8.280 nan 0.000 0.581 892 T N -1.531 113.104 114.554 0.134 0.000 2.899 892 T HA 0.514 4.852 4.350 -0.021 0.000 0.284 892 T C 0.350 175.103 174.700 0.088 0.000 1.004 892 T CA -0.764 61.401 62.100 0.107 0.000 1.043 892 T CB 2.084 71.002 68.868 0.083 0.000 1.013 892 T HN 0.323 nan 8.240 nan 0.000 0.518 893 I N 2.052 122.682 120.570 0.099 0.000 2.517 893 I HA 0.168 4.325 4.170 -0.021 0.000 0.285 893 I C 0.348 176.507 176.117 0.069 0.000 1.106 893 I CA -0.646 60.716 61.300 0.104 0.000 1.402 893 I CB 0.326 38.412 38.000 0.144 0.000 1.399 893 I HN 0.675 nan 8.210 nan 0.000 0.535 894 M N 8.205 127.838 119.600 0.055 0.000 2.239 894 M HA 0.084 4.552 4.480 -0.021 0.000 0.348 894 M C 0.883 177.189 176.300 0.010 0.000 1.239 894 M CA 0.599 55.916 55.300 0.028 0.000 1.114 894 M CB 0.630 33.244 32.600 0.023 0.000 1.641 894 M HN 0.556 nan 8.290 nan 0.000 0.453 895 K N 0.617 121.022 120.400 0.009 0.000 2.313 895 K HA 0.057 4.365 4.320 -0.021 0.000 0.197 895 K C -0.097 176.498 176.600 -0.008 0.000 1.061 895 K CA 0.483 56.770 56.287 -0.000 0.000 0.980 895 K CB 0.424 32.929 32.500 0.008 0.000 0.888 895 K HN 0.531 nan 8.250 nan 0.000 0.502 896 D N 1.522 121.921 120.400 -0.001 0.000 2.513 896 D HA 0.144 4.772 4.640 -0.021 0.000 0.295 896 D C -2.745 173.555 176.300 0.001 0.000 1.202 896 D CA -2.381 51.617 54.000 -0.003 0.000 0.849 896 D CB 0.895 41.697 40.800 0.002 0.000 1.116 896 D HN -0.100 nan 8.370 nan 0.000 0.502 897 P HA 0.083 nan 4.420 nan 0.000 0.268 897 P C -0.203 177.098 177.300 0.001 0.000 1.204 897 P CA -0.270 62.830 63.100 0.000 0.000 0.768 897 P CB 1.358 33.056 31.700 -0.003 0.000 0.842 898 V N 1.645 121.563 119.914 0.006 0.000 3.040 898 V HA 0.615 4.723 4.120 -0.021 0.000 0.312 898 V C -0.484 175.612 176.094 0.004 0.000 1.115 898 V CA -1.272 61.032 62.300 0.007 0.000 0.998 898 V CB 2.166 33.998 31.823 0.015 0.000 1.042 898 V HN 0.288 nan 8.190 nan 0.000 0.433 899 I N 3.070 123.641 120.570 0.002 0.000 2.354 899 I HA 0.403 4.561 4.170 -0.021 0.000 0.292 899 I C -0.230 175.891 176.117 0.006 0.000 0.989 899 I CA -0.562 60.735 61.300 -0.006 0.000 1.188 899 I CB 1.589 39.582 38.000 -0.013 0.000 1.342 899 I HN 0.478 nan 8.210 nan 0.000 0.457 900 L N 8.553 129.782 121.223 0.010 0.000 2.367 900 L HA 0.181 4.509 4.340 -0.021 0.000 0.275 900 L C -0.988 175.893 176.870 0.018 0.000 1.129 900 L CA -1.303 53.559 54.840 0.035 0.000 0.839 900 L CB 0.614 42.720 42.059 0.078 0.000 1.133 900 L HN 0.421 nan 8.230 nan 0.000 0.453 901 P HA -0.210 nan 4.420 nan 0.000 0.215 901 P C 1.073 178.380 177.300 0.013 0.000 1.157 901 P CA 1.614 64.723 63.100 0.014 0.000 0.868 901 P CB 0.383 32.093 31.700 0.018 0.000 0.788 902 A N 0.934 123.769 122.820 0.026 0.000 1.835 902 A HA -0.091 4.216 4.320 -0.021 0.000 0.213 902 A C 2.490 180.084 177.584 0.016 0.000 1.210 902 A CA 2.291 54.343 52.037 0.025 0.000 0.605 902 A CB -1.474 17.550 19.000 0.040 0.000 0.860 902 A HN 0.361 nan 8.150 nan 0.000 0.447 903 S N -1.427 114.289 115.700 0.026 0.000 2.453 903 S HA -0.051 4.407 4.470 -0.021 0.000 0.231 903 S C 0.864 175.420 174.600 -0.072 0.000 1.005 903 S CA 1.121 59.313 58.200 -0.012 0.000 0.949 903 S CB -0.085 63.121 63.200 0.011 0.000 0.774 903 S HN 0.463 nan 8.310 nan 0.000 0.510 904 K N -0.655 119.712 120.400 -0.056 0.000 3.500 904 K HA -0.112 4.196 4.320 -0.021 0.000 0.313 904 K C -0.311 176.219 176.600 -0.117 0.000 1.338 904 K CA 0.936 57.182 56.287 -0.068 0.000 0.963 904 K CB -2.193 30.268 32.500 -0.063 0.000 1.267 904 K HN 0.445 nan 8.250 nan 0.000 0.448 905 M N 1.168 120.659 119.600 -0.183 0.000 2.242 905 M HA 0.112 4.580 4.480 -0.021 0.000 0.344 905 M C 0.383 176.581 176.300 -0.170 0.000 1.140 905 M CA 0.147 55.270 55.300 -0.296 0.000 1.160 905 M CB 0.332 32.513 32.600 -0.699 0.000 1.491 905 M HN -0.014 nan 8.290 nan 0.000 0.459 906 N N 2.184 120.792 118.700 -0.153 0.000 2.479 906 N HA 0.665 5.393 4.740 -0.021 0.000 0.285 906 N C -0.873 174.608 175.510 -0.048 0.000 1.075 906 N CA -0.334 52.673 53.050 -0.073 0.000 0.967 906 N CB 1.855 40.310 38.487 -0.054 0.000 1.137 906 N HN 0.593 nan 8.380 nan 0.000 0.472 907 I N 0.102 120.674 120.570 0.003 0.000 2.913 907 I HA 0.238 4.395 4.170 -0.021 0.000 0.302 907 I C -1.271 174.863 176.117 0.027 0.000 1.246 907 I CA -0.832 60.489 61.300 0.036 0.000 1.010 907 I CB 2.078 40.142 38.000 0.106 0.000 1.259 907 I HN 0.365 nan 8.210 nan 0.000 0.434 908 D N 4.293 124.707 120.400 0.024 0.000 2.424 908 D HA 0.089 4.717 4.640 -0.021 0.000 0.244 908 D C 1.111 177.427 176.300 0.026 0.000 1.134 908 D CA 0.314 54.327 54.000 0.021 0.000 0.881 908 D CB 1.268 42.080 40.800 0.019 0.000 1.191 908 D HN 0.494 nan 8.370 nan 0.000 0.445 909 R N 1.893 122.406 120.500 0.022 0.000 2.103 909 R HA -0.212 4.116 4.340 -0.021 0.000 0.242 909 R C 1.917 178.234 176.300 0.027 0.000 1.142 909 R CA 2.120 58.234 56.100 0.024 0.000 0.960 909 R CB -0.148 30.163 30.300 0.017 0.000 0.858 909 R HN 0.544 nan 8.270 nan 0.000 0.439 910 S N -0.956 114.759 115.700 0.024 0.000 2.399 910 S HA -0.131 4.327 4.470 -0.021 0.000 0.231 910 S C 1.801 176.420 174.600 0.031 0.000 1.022 910 S CA 1.602 59.817 58.200 0.025 0.000 0.983 910 S CB -0.495 62.719 63.200 0.022 0.000 0.803 910 S HN 0.410 nan 8.310 nan 0.000 0.480 911 T N 4.052 118.625 114.554 0.032 0.000 2.698 911 T HA 0.077 4.414 4.350 -0.021 0.000 0.260 911 T C 1.938 176.671 174.700 0.055 0.000 1.044 911 T CA 1.544 63.665 62.100 0.035 0.000 1.149 911 T CB -0.681 68.200 68.868 0.022 0.000 0.864 911 T HN 0.649 nan 8.240 nan 0.000 0.419 912 I N 0.723 121.329 120.570 0.061 0.000 2.208 912 I HA -0.192 3.966 4.170 -0.021 0.000 0.245 912 I C 2.456 178.634 176.117 0.102 0.000 1.097 912 I CA 1.512 62.871 61.300 0.098 0.000 1.363 912 I CB -0.666 37.387 38.000 0.088 0.000 1.051 912 I HN 0.102 nan 8.210 nan 0.000 0.413 913 K N 1.511 121.947 120.400 0.060 0.000 2.034 913 K HA -0.232 4.076 4.320 -0.021 0.000 0.214 913 K C 2.381 179.003 176.600 0.035 0.000 1.051 913 K CA 2.109 58.419 56.287 0.038 0.000 0.931 913 K CB -0.436 32.081 32.500 0.027 0.000 0.715 913 K HN 0.489 nan 8.250 nan 0.000 0.446 914 A N 0.538 123.385 122.820 0.046 0.000 1.978 914 A HA -0.228 4.080 4.320 -0.021 0.000 0.220 914 A C 1.900 179.518 177.584 0.055 0.000 1.170 914 A CA 1.980 54.041 52.037 0.041 0.000 0.636 914 A CB -0.652 18.374 19.000 0.043 0.000 0.810 914 A HN 0.465 nan 8.150 nan 0.000 0.448 915 H N -0.354 118.703 119.070 -0.021 0.000 2.355 915 H HA 0.162 4.703 4.556 -0.025 0.000 0.303 915 H C 1.572 176.884 175.328 -0.027 0.000 1.061 915 H CA 1.444 57.472 56.048 -0.034 0.000 1.368 915 H CB -0.300 29.430 29.762 -0.053 0.000 1.412 915 H HN 0.306 nan 8.280 nan 0.000 0.523 916 L N 0.473 121.633 121.223 -0.105 0.000 2.450 916 L HA -0.126 4.201 4.340 -0.021 0.000 0.224 916 L C 2.093 178.885 176.870 -0.130 0.000 1.149 916 L CA 0.363 55.116 54.840 -0.147 0.000 0.816 916 L CB -0.307 41.736 42.059 -0.026 0.000 0.932 916 L HN 0.364 nan 8.230 nan 0.000 0.449 917 L N -0.683 120.479 121.223 -0.102 0.000 2.056 917 L HA -0.162 4.165 4.340 -0.021 0.000 0.207 917 L C 2.181 178.997 176.870 -0.089 0.000 1.078 917 L CA 1.730 56.527 54.840 -0.072 0.000 0.749 917 L CB -0.272 41.762 42.059 -0.043 0.000 0.901 917 L HN 0.379 nan 8.230 nan 0.000 0.433 918 S N -3.287 112.336 115.700 -0.127 0.000 2.578 918 S HA 0.183 4.640 4.470 -0.021 0.000 0.231 918 S C -0.215 174.289 174.600 -0.161 0.000 0.994 918 S CA -0.491 57.641 58.200 -0.113 0.000 0.956 918 S CB 0.482 63.635 63.200 -0.079 0.000 0.870 918 S HN 0.284 nan 8.310 nan 0.000 0.494 919 D N 0.799 121.040 120.400 -0.266 0.000 2.419 919 D HA 0.256 4.883 4.640 -0.021 0.000 0.219 919 D C -1.383 174.721 176.300 -0.326 0.000 1.349 919 D CA -0.037 53.778 54.000 -0.307 0.000 0.964 919 D CB 1.342 41.892 40.800 -0.416 0.000 1.463 919 D HN -0.080 nan 8.370 nan 0.000 0.573 920 S N 2.678 118.288 115.700 -0.151 0.000 3.940 920 S HA 0.522 4.980 4.470 -0.021 0.000 0.210 920 S C -0.138 174.447 174.600 -0.024 0.000 1.419 920 S CA -0.297 57.854 58.200 -0.082 0.000 0.912 920 S CB -0.201 62.970 63.200 -0.048 0.000 1.489 920 S HN 0.581 nan 8.310 nan 0.000 0.469 921 T N -1.977 112.589 114.554 0.020 0.000 2.792 921 T HA 0.348 4.686 4.350 -0.021 0.000 0.303 921 T C -1.453 173.348 174.700 0.168 0.000 1.310 921 T CA -0.969 61.182 62.100 0.086 0.000 1.007 921 T CB 1.353 70.266 68.868 0.075 0.000 1.335 921 T HN 0.133 nan 8.240 nan 0.000 0.504 922 D N 1.490 121.958 120.400 0.112 0.000 2.358 922 D HA 0.228 4.856 4.640 -0.021 0.000 0.258 922 D C -1.479 174.821 176.300 0.000 0.000 1.223 922 D CA -1.765 52.295 54.000 0.099 0.000 0.886 922 D CB 1.577 42.447 40.800 0.117 0.000 1.120 922 D HN 0.155 nan 8.370 nan 0.000 0.482 923 P HA -0.124 nan 4.420 nan 0.000 0.217 923 P C 0.811 177.758 177.300 -0.589 0.000 1.148 923 P CA 1.132 63.825 63.100 -0.678 0.000 0.828 923 P CB 0.046 31.010 31.700 -1.227 0.000 0.783 924 F N -0.416 119.490 119.950 -0.073 0.000 2.473 924 F HA 0.084 4.594 4.527 -0.028 0.000 0.294 924 F C 1.615 177.407 175.800 -0.013 0.000 1.103 924 F CA 0.799 58.774 58.000 -0.042 0.000 1.442 924 F CB -0.712 38.261 39.000 -0.046 0.000 1.097 924 F HN 0.076 nan 8.300 nan 0.000 0.547 925 N N -1.264 117.522 118.700 0.143 0.000 2.232 925 N HA 0.201 4.928 4.740 -0.021 0.000 0.240 925 N C 0.294 175.839 175.510 0.059 0.000 1.307 925 N CA -0.276 52.830 53.050 0.092 0.000 0.859 925 N CB 0.435 38.977 38.487 0.091 0.000 1.260 925 N HN -0.156 nan 8.380 nan 0.000 0.501 926 R N -0.191 120.339 120.500 0.050 0.000 4.018 926 R HA -0.135 4.193 4.340 -0.021 0.000 0.353 926 R C -0.298 176.027 176.300 0.042 0.000 1.214 926 R CA 0.918 57.044 56.100 0.044 0.000 1.059 926 R CB -1.489 28.830 30.300 0.032 0.000 1.512 926 R HN 0.461 nan 8.270 nan 0.000 0.566 927 M N 2.149 121.777 119.600 0.047 0.000 2.269 927 M HA 0.066 4.533 4.480 -0.021 0.000 0.350 927 M C -1.644 174.679 176.300 0.038 0.000 1.429 927 M CA -1.635 53.688 55.300 0.037 0.000 1.063 927 M CB -0.072 32.551 32.600 0.039 0.000 1.841 927 M HN -0.125 nan 8.290 nan 0.000 0.455 928 P HA 0.037 nan 4.420 nan 0.000 0.261 928 P C -0.926 176.390 177.300 0.027 0.000 1.173 928 P CA 0.066 63.179 63.100 0.021 0.000 0.760 928 P CB 0.427 32.133 31.700 0.010 0.000 0.783 929 L N 3.500 124.742 121.223 0.032 0.000 2.409 929 L HA 0.585 4.913 4.340 -0.021 0.000 0.262 929 L C -0.898 175.988 176.870 0.026 0.000 0.992 929 L CA -0.596 54.266 54.840 0.037 0.000 0.817 929 L CB 2.332 44.428 42.059 0.061 0.000 1.350 929 L HN 0.209 nan 8.230 nan 0.000 0.411 930 K N 3.387 123.801 120.400 0.024 0.000 2.375 930 K HA 0.353 4.661 4.320 -0.021 0.000 0.249 930 K C 0.143 176.756 176.600 0.022 0.000 0.942 930 K CA -0.889 55.407 56.287 0.016 0.000 0.806 930 K CB 2.322 34.828 32.500 0.010 0.000 1.227 930 K HN 0.620 nan 8.250 nan 0.000 0.430 931 L N 2.572 123.806 121.223 0.019 0.000 2.353 931 L HA -0.135 4.192 4.340 -0.021 0.000 0.220 931 L C 1.314 178.195 176.870 0.018 0.000 1.133 931 L CA 1.925 56.778 54.840 0.022 0.000 0.798 931 L CB -0.363 41.707 42.059 0.018 0.000 0.922 931 L HN 0.659 nan 8.230 nan 0.000 0.445 932 E N -0.674 119.534 120.200 0.014 0.000 2.150 932 E HA -0.142 4.196 4.350 -0.021 0.000 0.193 932 E C 1.082 177.690 176.600 0.013 0.000 0.985 932 E CA 1.278 57.685 56.400 0.012 0.000 0.814 932 E CB -0.135 29.570 29.700 0.009 0.000 0.752 932 E HN 0.514 nan 8.360 nan 0.000 0.466 933 D N 0.455 120.864 120.400 0.015 0.000 2.336 933 D HA 0.021 4.649 4.640 -0.021 0.000 0.228 933 D C -0.414 175.896 176.300 0.018 0.000 1.120 933 D CA 0.155 54.164 54.000 0.015 0.000 0.839 933 D CB 0.483 41.292 40.800 0.016 0.000 0.932 933 D HN -0.013 nan 8.370 nan 0.000 0.509 934 V N 1.428 121.354 119.914 0.020 0.000 2.432 934 V HA 0.079 4.187 4.120 -0.021 0.000 0.271 934 V C 0.695 176.798 176.094 0.014 0.000 1.046 934 V CA -0.116 62.197 62.300 0.021 0.000 0.945 934 V CB 1.421 33.260 31.823 0.027 0.000 0.992 934 V HN 0.055 nan 8.190 nan 0.000 0.471 935 T N 8.023 122.584 114.554 0.011 0.000 2.744 935 T HA 0.417 4.755 4.350 -0.021 0.000 0.291 935 T C -2.261 172.442 174.700 0.004 0.000 0.957 935 T CA -1.989 60.115 62.100 0.006 0.000 1.002 935 T CB 1.368 70.238 68.868 0.003 0.000 0.919 935 T HN 0.514 nan 8.240 nan 0.000 0.468 936 P HA 0.110 nan 4.420 nan 0.000 0.267 936 P C -0.644 176.654 177.300 -0.002 0.000 1.200 936 P CA -0.255 62.845 63.100 0.001 0.000 0.772 936 P CB 0.487 32.187 31.700 0.001 0.000 0.855 937 N N 2.306 121.004 118.700 -0.004 0.000 2.816 937 N HA 0.027 4.754 4.740 -0.021 0.000 0.236 937 N C 0.796 176.300 175.510 -0.009 0.000 1.076 937 N CA -0.157 52.889 53.050 -0.006 0.000 0.902 937 N CB 0.542 39.025 38.487 -0.006 0.000 1.149 937 N HN 0.290 nan 8.380 nan 0.000 0.506 938 E N 2.510 122.705 120.200 -0.009 0.000 2.072 938 E HA -0.084 4.254 4.350 -0.021 0.000 0.190 938 E C 0.941 177.532 176.600 -0.015 0.000 0.982 938 E CA 1.506 57.898 56.400 -0.013 0.000 0.803 938 E CB 0.189 29.883 29.700 -0.010 0.000 0.755 938 E HN 0.579 nan 8.360 nan 0.000 0.453 939 E N -0.137 120.058 120.200 -0.009 0.000 2.118 939 E HA -0.198 4.140 4.350 -0.021 0.000 0.195 939 E C 2.019 178.615 176.600 -0.008 0.000 0.992 939 E CA 1.128 57.524 56.400 -0.006 0.000 0.804 939 E CB -0.201 29.500 29.700 0.001 0.000 0.741 939 E HN 0.239 nan 8.360 nan 0.000 0.458 940 L N 1.168 122.388 121.223 -0.007 0.000 2.109 940 L HA -0.078 4.250 4.340 -0.021 0.000 0.207 940 L C 2.330 179.158 176.870 -0.070 0.000 1.086 940 L CA 1.570 56.408 54.840 -0.004 0.000 0.760 940 L CB -0.306 41.764 42.059 0.018 0.000 0.910 940 L HN -0.119 nan 8.230 nan 0.000 0.437 941 R N -0.881 119.582 120.500 -0.062 0.000 2.096 941 R HA -0.173 4.154 4.340 -0.021 0.000 0.235 941 R C 2.259 178.494 176.300 -0.108 0.000 1.127 941 R CA 1.831 57.880 56.100 -0.085 0.000 0.968 941 R CB -0.120 30.151 30.300 -0.048 0.000 0.861 941 R HN 0.566 nan 8.270 nan 0.000 0.440 942 Q N -0.271 119.482 119.800 -0.078 0.000 2.172 942 Q HA -0.123 4.205 4.340 -0.021 0.000 0.200 942 Q C 1.851 177.793 176.000 -0.097 0.000 0.964 942 Q CA 1.256 57.017 55.803 -0.069 0.000 0.855 942 Q CB 0.160 28.876 28.738 -0.037 0.000 0.918 942 Q HN 0.289 nan 8.270 nan 0.000 0.444 943 K N 0.396 120.719 120.400 -0.129 0.000 2.097 943 K HA -0.084 4.223 4.320 -0.021 0.000 0.205 943 K C 1.930 178.272 176.600 -0.429 0.000 1.050 943 K CA 0.955 57.146 56.287 -0.160 0.000 0.938 943 K CB 0.034 32.502 32.500 -0.053 0.000 0.718 943 K HN 0.211 nan 8.250 nan 0.000 0.442 944 I N 0.950 121.152 120.570 -0.614 0.000 2.286 944 I HA -0.240 3.918 4.170 -0.021 0.000 0.245 944 I C 2.160 178.154 176.117 -0.206 0.000 1.104 944 I CA 0.966 61.862 61.300 -0.673 0.000 1.397 944 I CB -0.212 37.484 38.000 -0.507 0.000 1.072 944 I HN 0.100 nan 8.210 nan 0.000 0.417 945 L N 0.140 121.278 121.223 -0.142 0.000 2.079 945 L HA -0.296 4.032 4.340 -0.021 0.000 0.210 945 L C 2.818 179.661 176.870 -0.046 0.000 1.081 945 L CA 1.245 56.045 54.840 -0.068 0.000 0.752 945 L CB -0.527 41.498 42.059 -0.056 0.000 0.896 945 L HN 0.501 nan 8.230 nan 0.000 0.433 946 C N -0.620 118.654 119.300 -0.045 0.000 2.450 946 C HA -0.183 4.264 4.460 -0.021 0.000 0.279 946 C C 2.729 177.739 174.990 0.034 0.000 1.335 946 C CA 0.139 59.154 59.018 -0.006 0.000 1.749 946 C CB -0.816 26.930 27.740 0.010 0.000 1.963 946 C HN 0.578 nan 8.230 nan 0.000 0.501 947 F N 1.959 121.849 119.950 -0.100 0.000 2.128 947 F HA 0.055 4.571 4.527 -0.020 0.000 0.295 947 F C 2.286 178.084 175.800 -0.004 0.000 1.100 947 F CA 1.834 59.826 58.000 -0.014 0.000 1.260 947 F CB -0.533 38.468 39.000 0.001 0.000 1.009 947 F HN 0.090 nan 8.300 nan 0.000 0.476 948 K N 0.209 120.559 120.400 -0.084 0.000 2.209 948 K HA -0.188 4.120 4.320 -0.021 0.000 0.204 948 K C 2.126 178.627 176.600 -0.165 0.000 1.048 948 K CA 1.239 57.437 56.287 -0.147 0.000 0.940 948 K CB -0.134 32.353 32.500 -0.022 0.000 0.729 948 K HN 0.270 nan 8.250 nan 0.000 0.451 949 K N 1.248 121.575 120.400 -0.121 0.000 1.980 949 K HA -0.135 4.172 4.320 -0.021 0.000 0.208 949 K C 2.098 178.629 176.600 -0.115 0.000 1.043 949 K CA 1.371 57.603 56.287 -0.092 0.000 0.938 949 K CB 0.096 32.563 32.500 -0.055 0.000 0.724 949 K HN 0.108 nan 8.250 nan 0.000 0.438 950 Q N 0.365 120.089 119.800 -0.126 0.000 2.291 950 Q HA -0.162 4.166 4.340 -0.021 0.000 0.206 950 Q C 1.740 177.632 176.000 -0.179 0.000 0.976 950 Q CA 1.060 56.793 55.803 -0.118 0.000 0.875 950 Q CB 0.002 28.693 28.738 -0.078 0.000 0.927 950 Q HN 0.198 nan 8.270 nan 0.000 0.450 951 K N 1.621 121.833 120.400 -0.314 0.000 2.515 951 K HA -0.095 4.213 4.320 -0.021 0.000 0.196 951 K C 0.732 177.221 176.600 -0.185 0.000 1.038 951 K CA 0.471 56.548 56.287 -0.350 0.000 0.967 951 K CB 0.110 32.251 32.500 -0.598 0.000 0.780 951 K HN -0.126 nan 8.250 nan 0.000 0.483 952 K N 1.747 122.064 120.400 -0.138 0.000 2.737 952 K HA -0.011 4.296 4.320 -0.021 0.000 0.251 952 K C -0.984 175.577 176.600 -0.064 0.000 1.280 952 K CA -0.126 56.109 56.287 -0.085 0.000 1.219 952 K CB 0.127 32.586 32.500 -0.069 0.000 1.587 952 K HN -0.013 nan 8.250 nan 0.000 0.279 953 E N 1.984 122.146 120.200 -0.063 0.000 2.191 953 E HA 0.246 4.584 4.350 -0.021 0.000 0.274 953 E C -1.245 175.335 176.600 -0.032 0.000 0.948 953 E CA -0.441 55.932 56.400 -0.044 0.000 0.802 953 E CB 0.999 30.672 29.700 -0.045 0.000 1.137 953 E HN 0.420 nan 8.360 nan 0.000 0.397 954 E N 0.000 120.186 120.200 -0.023 0.000 2.725 954 E HA 0.000 4.338 4.350 -0.021 0.000 0.291 954 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 954 E CB 0.000 29.690 29.700 -0.016 0.000 0.812 954 E HN 0.000 nan 8.360 nan 0.000 0.440