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 1vfp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.216 55.300 -0.141 0.000 0.988 1 M CB 0.000 32.576 32.600 -0.039 0.000 1.302 2 E N 0.770 120.865 120.200 -0.174 0.000 2.431 2 E HA 0.620 4.934 4.350 -0.059 0.000 0.287 2 E C -1.023 175.544 176.600 -0.055 0.000 1.032 2 E CA 0.322 56.690 56.400 -0.054 0.000 0.839 2 E CB 1.682 31.371 29.700 -0.019 0.000 1.218 2 E HN 1.909 nan 8.360 nan 0.000 0.424 3 A N 1.753 124.617 122.820 0.074 0.000 2.826 3 A HA -0.287 3.997 4.320 -0.059 0.000 0.274 3 A C 1.440 179.014 177.584 -0.016 0.000 1.443 3 A CA 1.733 53.843 52.037 0.122 0.000 0.833 3 A CB -2.283 16.708 19.000 -0.015 0.000 1.023 3 A HN 1.014 nan 8.150 nan 0.000 0.600 4 A N 0.174 123.024 122.820 0.050 0.000 2.032 4 A HA -0.160 4.124 4.320 -0.059 0.000 0.221 4 A C 1.810 179.400 177.584 0.011 0.000 1.165 4 A CA 2.069 54.096 52.037 -0.016 0.000 0.645 4 A CB -0.944 18.068 19.000 0.021 0.000 0.807 4 A HN 1.597 nan 8.150 nan 0.000 0.453 5 H N 0.032 119.089 119.070 -0.022 0.000 2.457 5 H HA -0.060 4.460 4.556 -0.059 0.000 0.294 5 H C 2.020 177.344 175.328 -0.008 0.000 1.064 5 H CA 1.748 57.791 56.048 -0.008 0.000 1.330 5 H CB -1.029 28.743 29.762 0.018 0.000 1.395 5 H HN 0.568 nan 8.280 nan 0.000 0.541 6 S N 0.656 115.915 115.700 -0.735 0.000 2.387 6 S HA -0.024 4.410 4.470 -0.059 0.000 0.226 6 S C 1.049 175.519 174.600 -0.217 0.000 1.026 6 S CA -0.012 57.893 58.200 -0.492 0.000 0.972 6 S CB 0.026 62.927 63.200 -0.499 0.000 0.814 6 S HN 0.350 nan 8.310 nan 0.000 0.477 7 K N 1.796 122.092 120.400 -0.173 0.000 2.117 7 K HA 0.424 4.708 4.320 -0.059 0.000 0.240 7 K C 0.479 177.046 176.600 -0.056 0.000 1.031 7 K CA -0.076 56.152 56.287 -0.099 0.000 0.909 7 K CB 0.754 33.195 32.500 -0.098 0.000 1.097 7 K HN 0.431 nan 8.250 nan 0.000 0.492 8 S N -1.098 114.583 115.700 -0.031 0.000 2.713 8 S HA 0.063 4.497 4.470 -0.059 0.000 0.277 8 S C 1.408 176.011 174.600 0.006 0.000 1.168 8 S CA -0.140 58.053 58.200 -0.011 0.000 0.994 8 S CB 1.087 64.283 63.200 -0.007 0.000 1.054 8 S HN 0.716 nan 8.310 nan 0.000 0.555 9 T N -0.798 113.764 114.554 0.013 0.000 2.746 9 T HA -0.127 4.188 4.350 -0.059 0.000 0.267 9 T C 1.296 176.017 174.700 0.035 0.000 1.039 9 T CA 1.660 63.775 62.100 0.025 0.000 1.142 9 T CB -0.891 67.988 68.868 0.019 0.000 0.866 9 T HN 0.681 nan 8.240 nan 0.000 0.444 10 E N 1.617 121.833 120.200 0.026 0.000 2.072 10 E HA -0.068 4.246 4.350 -0.059 0.000 0.191 10 E C 2.389 179.015 176.600 0.043 0.000 0.985 10 E CA 1.351 57.770 56.400 0.032 0.000 0.801 10 E CB -0.303 29.409 29.700 0.019 0.000 0.750 10 E HN 0.706 nan 8.360 nan 0.000 0.452 11 E N 0.046 120.265 120.200 0.032 0.000 2.085 11 E HA -0.193 4.122 4.350 -0.059 0.000 0.194 11 E C 2.147 178.790 176.600 0.070 0.000 0.994 11 E CA 1.295 57.717 56.400 0.037 0.000 0.801 11 E CB -0.281 29.422 29.700 0.005 0.000 0.743 11 E HN 0.298 nan 8.360 nan 0.000 0.453 12 C N 0.879 120.220 119.300 0.068 0.000 2.453 12 C HA -0.084 4.340 4.460 -0.059 0.000 0.277 12 C C 2.697 177.827 174.990 0.233 0.000 1.262 12 C CA 0.314 59.407 59.018 0.124 0.000 1.718 12 C CB -0.958 26.847 27.740 0.109 0.000 2.031 12 C HN 0.367 nan 8.230 nan 0.000 0.480 13 L N 1.263 122.587 121.223 0.169 0.000 1.994 13 L HA -0.181 4.124 4.340 -0.059 0.000 0.208 13 L C 2.945 179.920 176.870 0.174 0.000 1.071 13 L CA 1.737 56.681 54.840 0.173 0.000 0.745 13 L CB -0.941 41.177 42.059 0.098 0.000 0.892 13 L HN 0.343 nan 8.230 nan 0.000 0.431 14 A N -0.420 122.471 122.820 0.119 0.000 1.873 14 A HA -0.340 3.945 4.320 -0.059 0.000 0.218 14 A C 2.226 179.856 177.584 0.076 0.000 1.193 14 A CA 2.068 54.155 52.037 0.084 0.000 0.629 14 A CB -1.248 17.788 19.000 0.060 0.000 0.826 14 A HN 0.522 nan 8.150 nan 0.000 0.447 15 Y N -1.266 118.999 120.300 -0.057 0.000 2.298 15 Y HA -0.204 4.311 4.550 -0.059 0.000 0.287 15 Y C 1.488 177.222 175.900 -0.278 0.000 1.164 15 Y CA 1.983 59.958 58.100 -0.209 0.000 1.229 15 Y CB -0.199 38.053 38.460 -0.347 0.000 0.977 15 Y HN 0.302 nan 8.280 nan 0.000 0.538 16 F N -0.893 119.121 119.950 0.107 0.000 2.706 16 F HA 0.323 4.815 4.527 -0.059 0.000 0.308 16 F C 1.473 177.315 175.800 0.071 0.000 1.095 16 F CA 0.202 58.248 58.000 0.077 0.000 1.244 16 F CB 0.544 39.653 39.000 0.182 0.000 1.063 16 F HN -0.041 nan 8.300 nan 0.000 0.582 17 G N 2.312 111.230 108.800 0.196 0.000 2.392 17 G HA2 -0.147 3.777 3.960 -0.059 0.000 0.290 17 G HA3 -0.147 3.777 3.960 -0.059 0.000 0.290 17 G C -0.786 174.198 174.900 0.140 0.000 1.032 17 G CA 0.143 45.320 45.100 0.128 0.000 1.269 17 G HN 0.187 nan 8.290 nan 0.000 0.511 18 V N -0.176 119.821 119.914 0.138 0.000 2.932 18 V HA 0.682 4.767 4.120 -0.059 0.000 0.307 18 V C 0.298 176.432 176.094 0.067 0.000 1.147 18 V CA -0.777 61.583 62.300 0.099 0.000 0.951 18 V CB 2.291 34.179 31.823 0.110 0.000 1.031 18 V HN 0.555 nan 8.190 nan 0.000 0.426 19 S N 1.635 117.357 115.700 0.037 0.000 2.475 19 S HA 0.199 4.634 4.470 -0.059 0.000 0.281 19 S C 1.006 175.600 174.600 -0.011 0.000 1.198 19 S CA -0.433 57.775 58.200 0.012 0.000 1.063 19 S CB 1.009 64.210 63.200 0.002 0.000 0.972 19 S HN 1.013 nan 8.310 nan 0.000 0.486 20 E N 1.734 121.920 120.200 -0.025 0.000 2.510 20 E HA -0.145 4.169 4.350 -0.059 0.000 0.202 20 E C 1.227 177.729 176.600 -0.165 0.000 1.072 20 E CA 1.366 57.728 56.400 -0.064 0.000 0.883 20 E CB -0.322 29.349 29.700 -0.049 0.000 0.818 20 E HN 0.706 nan 8.360 nan 0.000 0.548 21 T N -4.173 110.294 114.554 -0.145 0.000 3.000 21 T HA 0.122 4.437 4.350 -0.059 0.000 0.248 21 T C 1.804 176.414 174.700 -0.150 0.000 1.034 21 T CA 0.614 62.585 62.100 -0.215 0.000 1.060 21 T CB 0.232 69.028 68.868 -0.120 0.000 0.983 21 T HN 0.031 nan 8.240 nan 0.000 0.482 22 T N 0.864 115.387 114.554 -0.052 0.000 2.980 22 T HA 0.554 4.868 4.350 -0.059 0.000 0.239 22 T C 1.081 175.818 174.700 0.063 0.000 1.011 22 T CA 0.901 63.012 62.100 0.018 0.000 1.171 22 T CB -0.553 68.325 68.868 0.016 0.000 0.873 22 T HN 0.975 nan 8.240 nan 0.000 0.431 23 G N 1.051 109.877 108.800 0.042 0.000 2.655 23 G HA2 0.021 3.945 3.960 -0.059 0.000 0.680 23 G HA3 0.021 3.945 3.960 -0.059 0.000 0.680 23 G C -1.062 173.853 174.900 0.026 0.000 1.302 23 G CA -1.050 44.085 45.100 0.058 0.000 0.872 23 G HN 0.354 nan 8.290 nan 0.000 0.540 24 L N 0.892 122.114 121.223 -0.001 0.000 2.492 24 L HA 0.512 4.817 4.340 -0.059 0.000 0.280 24 L C 1.858 178.702 176.870 -0.043 0.000 1.240 24 L CA 0.847 55.658 54.840 -0.047 0.000 0.831 24 L CB 0.476 42.465 42.059 -0.116 0.000 1.100 24 L HN 1.197 nan 8.230 nan 0.000 0.505 25 T N -0.162 114.354 114.554 -0.063 0.000 2.907 25 T HA 0.394 4.708 4.350 -0.059 0.000 0.284 25 T C -1.711 172.950 174.700 -0.064 0.000 1.004 25 T CA -1.731 60.342 62.100 -0.044 0.000 1.063 25 T CB 1.389 70.239 68.868 -0.031 0.000 0.992 25 T HN 0.541 nan 8.240 nan 0.000 0.483 26 P HA -0.221 nan 4.420 nan 0.000 0.217 26 P C 1.019 178.290 177.300 -0.049 0.000 1.148 26 P CA 1.279 64.355 63.100 -0.041 0.000 0.834 26 P CB 0.188 31.874 31.700 -0.022 0.000 0.783 27 D N -0.206 120.167 120.400 -0.045 0.000 2.091 27 D HA -0.145 4.460 4.640 -0.059 0.000 0.199 27 D C 2.096 178.355 176.300 -0.069 0.000 0.980 27 D CA 0.997 54.974 54.000 -0.039 0.000 0.831 27 D CB -0.167 40.621 40.800 -0.021 0.000 0.987 27 D HN 0.161 nan 8.370 nan 0.000 0.460 28 Q N 0.178 119.909 119.800 -0.115 0.000 2.077 28 Q HA -0.142 4.163 4.340 -0.059 0.000 0.206 28 Q C 2.498 178.246 176.000 -0.419 0.000 0.989 28 Q CA 1.296 56.945 55.803 -0.257 0.000 0.853 28 Q CB 0.018 28.571 28.738 -0.308 0.000 0.907 28 Q HN 0.209 nan 8.270 nan 0.000 0.418 29 V N 1.465 121.207 119.914 -0.287 0.000 2.332 29 V HA -0.304 3.780 4.120 -0.059 0.000 0.248 29 V C 2.315 178.354 176.094 -0.092 0.000 1.055 29 V CA 2.014 64.195 62.300 -0.199 0.000 1.038 29 V CB -0.642 31.112 31.823 -0.114 0.000 0.651 29 V HN 0.364 nan 8.190 nan 0.000 0.450 30 K N 0.167 120.529 120.400 -0.064 0.000 2.026 30 K HA -0.224 4.061 4.320 -0.059 0.000 0.208 30 K C 2.410 179.014 176.600 0.008 0.000 1.048 30 K CA 1.749 58.023 56.287 -0.023 0.000 0.929 30 K CB -0.108 32.383 32.500 -0.015 0.000 0.713 30 K HN 0.357 nan 8.250 nan 0.000 0.439 31 R N -0.479 120.038 120.500 0.028 0.000 2.062 31 R HA -0.085 4.219 4.340 -0.059 0.000 0.231 31 R C 2.395 178.802 176.300 0.177 0.000 1.136 31 R CA 1.924 58.079 56.100 0.091 0.000 0.948 31 R CB -0.540 29.836 30.300 0.127 0.000 0.845 31 R HN 0.487 nan 8.270 nan 0.000 0.430 32 H N 0.223 119.328 119.070 0.058 0.000 2.390 32 H HA -0.146 4.374 4.556 -0.059 0.000 0.298 32 H C 2.200 177.606 175.328 0.129 0.000 1.106 32 H CA 1.027 57.176 56.048 0.169 0.000 1.297 32 H CB -0.051 29.843 29.762 0.221 0.000 1.375 32 H HN 0.156 nan 8.280 nan 0.000 0.509 33 L N 0.549 121.858 121.223 0.143 0.000 2.131 33 L HA -0.185 4.120 4.340 -0.059 0.000 0.210 33 L C 2.609 179.468 176.870 -0.018 0.000 1.092 33 L CA 1.211 56.041 54.840 -0.017 0.000 0.759 33 L CB -0.159 41.827 42.059 -0.121 0.000 0.903 33 L HN 0.390 nan 8.230 nan 0.000 0.435 34 E N 0.097 120.301 120.200 0.007 0.000 2.122 34 E HA -0.221 4.094 4.350 -0.059 0.000 0.190 34 E C 2.098 178.666 176.600 -0.052 0.000 0.977 34 E CA 0.572 56.966 56.400 -0.010 0.000 0.820 34 E CB 0.223 29.920 29.700 -0.005 0.000 0.770 34 E HN 0.252 nan 8.360 nan 0.000 0.462 35 K N -0.922 119.407 120.400 -0.118 0.000 2.418 35 K HA -0.077 4.207 4.320 -0.059 0.000 0.195 35 K C 0.352 176.641 176.600 -0.518 0.000 1.035 35 K CA 0.755 56.825 56.287 -0.361 0.000 1.003 35 K CB 0.293 32.462 32.500 -0.551 0.000 0.793 35 K HN 0.174 nan 8.250 nan 0.000 0.494 36 Y N -1.205 119.108 120.300 0.022 0.000 2.515 36 Y HA 0.260 4.774 4.550 -0.059 0.000 0.267 36 Y C 0.648 176.557 175.900 0.016 0.000 1.058 36 Y CA 0.068 58.183 58.100 0.025 0.000 1.231 36 Y CB 1.208 39.685 38.460 0.029 0.000 1.350 36 Y HN 0.152 nan 8.280 nan 0.000 0.554 37 G N 0.626 109.497 108.800 0.119 0.000 2.855 37 G HA2 -0.256 3.669 3.960 -0.059 0.000 0.352 37 G HA3 -0.256 3.669 3.960 -0.059 0.000 0.352 37 G C -0.903 174.003 174.900 0.011 0.000 1.415 37 G CA -0.564 44.580 45.100 0.073 0.000 0.871 37 G HN 0.388 nan 8.290 nan 0.000 0.543 38 H N -0.301 118.811 119.070 0.069 0.000 2.615 38 H HA 0.385 4.905 4.556 -0.059 0.000 0.363 38 H C 1.090 176.445 175.328 0.045 0.000 1.148 38 H CA 0.397 56.476 56.048 0.051 0.000 1.401 38 H CB 0.687 30.468 29.762 0.033 0.000 1.461 38 H HN 0.615 nan 8.280 nan 0.000 0.588 39 N N 2.576 121.356 118.700 0.134 0.000 2.892 39 N HA -0.023 4.681 4.740 -0.059 0.000 0.300 39 N C -1.139 174.419 175.510 0.080 0.000 1.211 39 N CA -0.215 52.882 53.050 0.079 0.000 1.158 39 N CB -0.360 38.152 38.487 0.042 0.000 1.455 39 N HN 0.721 nan 8.380 nan 0.000 0.524 40 E N 0.599 120.850 120.200 0.087 0.000 2.412 40 E HA 0.353 4.668 4.350 -0.059 0.000 0.279 40 E C -1.172 175.460 176.600 0.052 0.000 0.984 40 E CA -0.951 55.485 56.400 0.061 0.000 0.788 40 E CB 0.922 30.654 29.700 0.053 0.000 1.277 40 E HN 0.037 nan 8.360 nan 0.000 0.455 41 L N 1.027 122.272 121.223 0.036 0.000 2.416 41 L HA 0.499 4.803 4.340 -0.059 0.000 0.262 41 L C -2.024 174.861 176.870 0.025 0.000 1.093 41 L CA -2.232 52.626 54.840 0.031 0.000 0.801 41 L CB 0.624 42.697 42.059 0.024 0.000 1.191 41 L HN 0.476 nan 8.230 nan 0.000 0.459 42 P HA 0.028 nan 4.420 nan 0.000 0.264 42 P C -0.710 176.597 177.300 0.011 0.000 1.193 42 P CA -0.243 62.868 63.100 0.017 0.000 0.763 42 P CB 0.529 32.239 31.700 0.017 0.000 0.810 43 A N 3.306 126.130 122.820 0.007 0.000 2.515 43 A HA -0.088 4.197 4.320 -0.059 0.000 0.276 43 A C 0.737 178.322 177.584 0.003 0.000 1.104 43 A CA 0.231 52.270 52.037 0.003 0.000 0.822 43 A CB -0.848 18.151 19.000 -0.001 0.000 1.016 43 A HN 0.627 nan 8.150 nan 0.000 0.530 44 E N 3.046 123.248 120.200 0.004 0.000 1.979 44 E HA 0.090 4.404 4.350 -0.059 0.000 0.285 44 E C 0.443 177.042 176.600 -0.001 0.000 1.188 44 E CA -0.185 56.217 56.400 0.002 0.000 1.214 44 E CB -0.061 29.641 29.700 0.003 0.000 1.210 44 E HN 0.819 nan 8.360 nan 0.000 0.477 45 E N 1.381 121.580 120.200 -0.003 0.000 2.435 45 E HA 0.096 4.411 4.350 -0.059 0.000 0.256 45 E C 0.129 176.722 176.600 -0.010 0.000 1.245 45 E CA -0.019 56.377 56.400 -0.007 0.000 0.989 45 E CB 0.469 30.163 29.700 -0.010 0.000 0.983 45 E HN 0.517 nan 8.360 nan 0.000 0.480 46 G N 2.372 111.162 108.800 -0.017 0.000 2.209 46 G HA2 -0.078 3.847 3.960 -0.059 0.000 0.271 46 G HA3 -0.078 3.847 3.960 -0.059 0.000 0.271 46 G C -0.330 174.561 174.900 -0.016 0.000 1.111 46 G CA 0.237 45.325 45.100 -0.021 0.000 1.092 46 G HN 0.368 nan 8.290 nan 0.000 0.416 47 K N 1.132 121.527 120.400 -0.009 0.000 2.651 47 K HA 0.569 4.854 4.320 -0.059 0.000 0.283 47 K C 1.045 177.648 176.600 0.005 0.000 1.018 47 K CA -0.308 55.980 56.287 0.002 0.000 1.127 47 K CB 0.546 33.051 32.500 0.007 0.000 1.501 47 K HN 0.371 nan 8.250 nan 0.000 0.608 48 S N 0.006 115.719 115.700 0.022 0.000 3.672 48 S HA -0.118 4.316 4.470 -0.059 0.000 0.319 48 S C 0.686 175.311 174.600 0.042 0.000 1.151 48 S CA 0.279 58.495 58.200 0.028 0.000 0.911 48 S CB -1.635 61.564 63.200 -0.002 0.000 0.939 48 S HN 0.537 nan 8.310 nan 0.000 0.524 49 L N -0.204 121.059 121.223 0.065 0.000 2.021 49 L HA -0.102 4.202 4.340 -0.059 0.000 0.215 49 L C 1.880 178.845 176.870 0.158 0.000 1.074 49 L CA 2.780 57.670 54.840 0.082 0.000 0.760 49 L CB -0.282 41.826 42.059 0.081 0.000 0.889 49 L HN 0.738 nan 8.230 nan 0.000 0.433 50 W N -0.325 120.969 121.300 -0.011 0.000 2.640 50 W HA 0.070 4.696 4.660 -0.057 0.000 0.271 50 W C 2.359 178.880 176.519 0.003 0.000 1.218 50 W CA 0.614 57.959 57.345 0.001 0.000 1.382 50 W CB -0.026 29.438 29.460 0.007 0.000 1.067 50 W HN 0.123 nan 8.180 nan 0.000 0.590 51 E N 0.513 120.739 120.200 0.044 0.000 2.147 51 E HA -0.305 4.010 4.350 -0.059 0.000 0.199 51 E C 1.970 178.453 176.600 -0.196 0.000 1.005 51 E CA 1.745 58.077 56.400 -0.114 0.000 0.810 51 E CB -0.652 29.044 29.700 -0.007 0.000 0.736 51 E HN 0.169 nan 8.360 nan 0.000 0.460 52 L N 0.369 121.513 121.223 -0.131 0.000 2.043 52 L HA -0.216 4.088 4.340 -0.059 0.000 0.212 52 L C 2.315 179.057 176.870 -0.212 0.000 1.075 52 L CA 1.336 56.094 54.840 -0.137 0.000 0.752 52 L CB -0.541 41.467 42.059 -0.085 0.000 0.891 52 L HN 0.027 nan 8.230 nan 0.000 0.432 53 V N -0.562 119.193 119.914 -0.264 0.000 2.223 53 V HA -0.336 3.749 4.120 -0.059 0.000 0.244 53 V C 2.332 178.198 176.094 -0.381 0.000 1.045 53 V CA 2.145 64.259 62.300 -0.310 0.000 1.000 53 V CB -0.482 31.163 31.823 -0.296 0.000 0.635 53 V HN 0.416 nan 8.190 nan 0.000 0.445 54 I N -0.194 120.082 120.570 -0.490 0.000 2.399 54 I HA -0.300 3.834 4.170 -0.059 0.000 0.254 54 I C 2.509 178.496 176.117 -0.216 0.000 1.146 54 I CA 1.635 62.730 61.300 -0.342 0.000 1.412 54 I CB -0.122 37.538 38.000 -0.567 0.000 1.076 54 I HN 0.484 nan 8.210 nan 0.000 0.432 55 E N -0.040 120.011 120.200 -0.248 0.000 2.153 55 E HA -0.246 4.068 4.350 -0.059 0.000 0.194 55 E C 2.013 178.478 176.600 -0.226 0.000 0.988 55 E CA 0.792 57.081 56.400 -0.186 0.000 0.811 55 E CB -0.019 29.586 29.700 -0.159 0.000 0.746 55 E HN 0.550 nan 8.360 nan 0.000 0.466 56 Q N -0.368 119.202 119.800 -0.383 0.000 2.226 56 Q HA -0.099 4.205 4.340 -0.059 0.000 0.204 56 Q C 0.310 175.980 176.000 -0.550 0.000 0.975 56 Q CA 0.936 56.420 55.803 -0.531 0.000 0.866 56 Q CB -0.048 28.212 28.738 -0.796 0.000 0.915 56 Q HN 0.231 nan 8.270 nan 0.000 0.440 57 F N 0.507 120.396 119.950 -0.101 0.000 2.441 57 F HA 0.274 4.764 4.527 -0.062 0.000 0.337 57 F C 1.023 176.774 175.800 -0.082 0.000 1.182 57 F CA -0.365 57.583 58.000 -0.087 0.000 1.279 57 F CB 0.432 39.373 39.000 -0.099 0.000 1.614 57 F HN -0.031 nan 8.300 nan 0.000 0.574 58 E N -0.655 119.574 120.200 0.048 0.000 2.684 58 E HA 0.008 4.322 4.350 -0.059 0.000 0.204 58 E C -0.072 176.533 176.600 0.008 0.000 0.900 58 E CA -0.249 56.160 56.400 0.015 0.000 1.481 58 E CB 0.272 29.958 29.700 -0.023 0.000 1.468 58 E HN 0.344 nan 8.360 nan 0.000 0.778 59 D N 0.761 121.160 120.400 -0.001 0.000 2.390 59 D HA -0.076 4.528 4.640 -0.059 0.000 0.236 59 D C 1.028 177.332 176.300 0.006 0.000 1.189 59 D CA -0.042 53.956 54.000 -0.003 0.000 0.887 59 D CB 0.914 41.708 40.800 -0.010 0.000 1.198 59 D HN -0.078 nan 8.370 nan 0.000 0.444 60 L N 3.354 124.576 121.223 -0.002 0.000 1.989 60 L HA -0.144 4.161 4.340 -0.059 0.000 0.211 60 L C 1.871 178.739 176.870 -0.003 0.000 1.071 60 L CA 1.649 56.486 54.840 -0.005 0.000 0.749 60 L CB -0.587 41.464 42.059 -0.013 0.000 0.890 60 L HN 0.661 nan 8.230 nan 0.000 0.431 61 L N -0.842 120.378 121.223 -0.005 0.000 1.971 61 L HA -0.257 4.047 4.340 -0.059 0.000 0.215 61 L C 2.599 179.479 176.870 0.016 0.000 1.072 61 L CA 1.964 56.803 54.840 -0.002 0.000 0.758 61 L CB -1.419 40.639 42.059 -0.001 0.000 0.889 61 L HN 0.411 nan 8.230 nan 0.000 0.433 62 V N -2.243 117.694 119.914 0.039 0.000 2.594 62 V HA -0.234 3.850 4.120 -0.059 0.000 0.253 62 V C 2.493 178.625 176.094 0.062 0.000 1.069 62 V CA 1.432 63.780 62.300 0.080 0.000 1.082 62 V CB -0.834 31.077 31.823 0.146 0.000 0.680 62 V HN 0.376 nan 8.190 nan 0.000 0.469 63 R N -0.205 120.316 120.500 0.036 0.000 2.062 63 R HA -0.018 4.287 4.340 -0.059 0.000 0.231 63 R C 2.419 178.712 176.300 -0.012 0.000 1.136 63 R CA 1.895 57.999 56.100 0.007 0.000 0.948 63 R CB -0.461 29.840 30.300 0.001 0.000 0.845 63 R HN 0.408 nan 8.270 nan 0.000 0.430 64 I N 1.172 121.736 120.570 -0.010 0.000 2.068 64 I HA -0.311 3.824 4.170 -0.059 0.000 0.238 64 I C 2.397 178.500 176.117 -0.023 0.000 1.046 64 I CA 1.586 62.874 61.300 -0.019 0.000 1.306 64 I CB -1.102 36.887 38.000 -0.020 0.000 1.023 64 I HN 0.147 nan 8.210 nan 0.000 0.399 65 L N -0.293 120.921 121.223 -0.015 0.000 2.081 65 L HA -0.217 4.088 4.340 -0.059 0.000 0.212 65 L C 2.394 179.244 176.870 -0.032 0.000 1.080 65 L CA 1.323 56.153 54.840 -0.016 0.000 0.754 65 L CB -0.851 41.210 42.059 0.004 0.000 0.893 65 L HN 0.197 nan 8.230 nan 0.000 0.433 66 L N -1.540 119.658 121.223 -0.042 0.000 2.275 66 L HA -0.157 4.147 4.340 -0.059 0.000 0.215 66 L C 2.101 178.920 176.870 -0.085 0.000 1.119 66 L CA 1.292 56.078 54.840 -0.091 0.000 0.790 66 L CB -0.371 41.617 42.059 -0.118 0.000 0.919 66 L HN 0.224 nan 8.230 nan 0.000 0.443 67 L N -0.982 120.206 121.223 -0.057 0.000 2.102 67 L HA 0.109 4.413 4.340 -0.059 0.000 0.202 67 L C 2.487 179.334 176.870 -0.039 0.000 1.076 67 L CA 1.721 56.532 54.840 -0.049 0.000 0.761 67 L CB -0.861 41.176 42.059 -0.035 0.000 0.921 67 L HN 0.155 nan 8.230 nan 0.000 0.444 68 A N -0.196 122.602 122.820 -0.038 0.000 1.986 68 A HA -0.184 4.100 4.320 -0.059 0.000 0.220 68 A C 2.419 179.990 177.584 -0.022 0.000 1.171 68 A CA 1.865 53.878 52.037 -0.040 0.000 0.640 68 A CB -1.128 17.841 19.000 -0.051 0.000 0.811 68 A HN 0.575 nan 8.150 nan 0.000 0.451 69 A N -1.218 121.587 122.820 -0.024 0.000 1.933 69 A HA -0.150 4.134 4.320 -0.059 0.000 0.218 69 A C 2.299 179.897 177.584 0.023 0.000 1.175 69 A CA 1.636 53.672 52.037 -0.002 0.000 0.628 69 A CB -1.170 17.800 19.000 -0.049 0.000 0.814 69 A HN 0.598 nan 8.150 nan 0.000 0.444 70 C N -0.736 118.549 119.300 -0.025 0.000 2.446 70 C HA -0.008 4.417 4.460 -0.059 0.000 0.277 70 C C 2.570 177.581 174.990 0.035 0.000 1.275 70 C CA 0.763 59.764 59.018 -0.028 0.000 1.727 70 C CB -1.249 26.445 27.740 -0.076 0.000 2.010 70 C HN 0.621 nan 8.230 nan 0.000 0.486 71 I N 0.589 121.173 120.570 0.024 0.000 2.113 71 I HA -0.220 3.915 4.170 -0.059 0.000 0.238 71 I C 2.712 178.863 176.117 0.056 0.000 1.070 71 I CA 1.931 63.259 61.300 0.046 0.000 1.332 71 I CB -0.810 37.225 38.000 0.057 0.000 1.044 71 I HN 0.274 nan 8.210 nan 0.000 0.402 72 S N 0.311 116.033 115.700 0.036 0.000 2.420 72 S HA -0.248 4.186 4.470 -0.059 0.000 0.237 72 S C 1.931 176.537 174.600 0.010 0.000 1.023 72 S CA 1.523 59.735 58.200 0.020 0.000 0.991 72 S CB -0.451 62.759 63.200 0.016 0.000 0.792 72 S HN 0.420 nan 8.310 nan 0.000 0.488 73 F N 1.037 120.930 119.950 -0.096 0.000 2.335 73 F HA 0.157 4.640 4.527 -0.073 0.000 0.296 73 F C 1.987 177.702 175.800 -0.140 0.000 1.091 73 F CA 0.723 58.624 58.000 -0.165 0.000 1.399 73 F CB -0.186 38.739 39.000 -0.125 0.000 1.067 73 F HN 0.048 nan 8.300 nan 0.000 0.520 74 V N 0.038 120.039 119.914 0.145 0.000 2.358 74 V HA -0.256 3.829 4.120 -0.059 0.000 0.246 74 V C 2.201 178.307 176.094 0.018 0.000 1.047 74 V CA 1.372 63.702 62.300 0.049 0.000 1.035 74 V CB -0.674 31.116 31.823 -0.055 0.000 0.658 74 V HN 0.207 nan 8.190 nan 0.000 0.452 75 L N 0.476 121.711 121.223 0.021 0.000 2.362 75 L HA -0.028 4.277 4.340 -0.059 0.000 0.219 75 L C 2.462 179.405 176.870 0.122 0.000 1.134 75 L CA 1.763 56.653 54.840 0.083 0.000 0.807 75 L CB -1.165 40.951 42.059 0.096 0.000 0.927 75 L HN 0.284 nan 8.230 nan 0.000 0.447 76 A N -1.749 121.056 122.820 -0.025 0.000 1.872 76 A HA -0.197 4.087 4.320 -0.059 0.000 0.214 76 A C 1.999 179.723 177.584 0.233 0.000 1.187 76 A CA 1.037 52.998 52.037 -0.127 0.000 0.614 76 A CB -1.008 17.387 19.000 -1.008 0.000 0.826 76 A HN 0.499 nan 8.150 nan 0.000 0.442 77 W N -1.497 119.841 121.300 0.063 0.000 2.525 77 W HA 0.060 4.683 4.660 -0.061 0.000 0.259 77 W C 0.632 177.395 176.519 0.406 0.000 1.253 77 W CA 0.692 58.225 57.345 0.315 0.000 1.262 77 W CB -0.191 29.488 29.460 0.366 0.000 1.122 77 W HN 0.307 nan 8.180 nan 0.000 0.607 78 F N -0.219 119.867 119.950 0.226 0.000 2.647 78 F HA 0.221 4.717 4.527 -0.052 0.000 0.300 78 F C 0.381 176.238 175.800 0.095 0.000 1.106 78 F CA -0.312 57.775 58.000 0.145 0.000 1.313 78 F CB -0.401 38.682 39.000 0.138 0.000 1.007 78 F HN -0.361 nan 8.300 nan 0.000 0.536 79 E N 1.093 121.427 120.200 0.223 0.000 2.183 79 E HA 0.416 4.731 4.350 -0.059 0.000 0.271 79 E C -0.802 175.835 176.600 0.063 0.000 0.919 79 E CA -0.217 56.267 56.400 0.140 0.000 0.781 79 E CB 1.046 30.832 29.700 0.143 0.000 1.140 79 E HN 0.279 nan 8.360 nan 0.000 0.402 80 E N 1.869 122.086 120.200 0.027 0.000 2.263 80 E HA 0.551 4.866 4.350 -0.059 0.000 0.264 80 E C 0.491 177.074 176.600 -0.028 0.000 0.923 80 E CA -0.651 55.736 56.400 -0.021 0.000 0.802 80 E CB 1.609 31.287 29.700 -0.038 0.000 1.228 80 E HN 0.726 nan 8.360 nan 0.000 0.417 81 G N 1.881 110.649 108.800 -0.053 0.000 3.581 81 G HA2 -0.447 3.477 3.960 -0.059 0.000 0.336 81 G HA3 -0.447 3.477 3.960 -0.059 0.000 0.336 81 G C 0.716 175.584 174.900 -0.052 0.000 1.259 81 G CA 0.899 45.967 45.100 -0.054 0.000 1.001 81 G HN 0.672 nan 8.290 nan 0.000 0.662 82 E N 2.183 122.359 120.200 -0.040 0.000 2.489 82 E HA 0.237 4.551 4.350 -0.059 0.000 0.193 82 E C 1.159 177.736 176.600 -0.038 0.000 1.057 82 E CA 0.919 57.294 56.400 -0.040 0.000 0.866 82 E CB 0.084 29.762 29.700 -0.037 0.000 0.916 82 E HN 0.834 nan 8.360 nan 0.000 0.500 83 E N -0.785 119.398 120.200 -0.028 0.000 3.313 83 E HA 0.114 4.428 4.350 -0.059 0.000 0.164 83 E C 0.304 176.902 176.600 -0.004 0.000 0.947 83 E CA -0.033 56.354 56.400 -0.022 0.000 1.390 83 E CB 0.049 29.741 29.700 -0.014 0.000 1.058 83 E HN -0.172 nan 8.360 nan 0.000 0.436 84 T N 1.069 115.613 114.554 -0.016 0.000 2.881 84 T HA -0.064 4.250 4.350 -0.059 0.000 0.270 84 T C 1.698 176.416 174.700 0.030 0.000 1.068 84 T CA 0.741 62.851 62.100 0.017 0.000 1.131 84 T CB -0.048 68.773 68.868 -0.079 0.000 0.871 84 T HN 0.242 nan 8.240 nan 0.000 0.479 85 I N 1.938 122.482 120.570 -0.044 0.000 2.163 85 I HA -0.096 4.039 4.170 -0.059 0.000 0.240 85 I C 2.517 178.621 176.117 -0.022 0.000 1.081 85 I CA 1.446 62.713 61.300 -0.055 0.000 1.353 85 I CB -1.883 36.072 38.000 -0.076 0.000 1.054 85 I HN 0.208 nan 8.210 nan 0.000 0.407 86 T N 1.298 115.823 114.554 -0.049 0.000 3.077 86 T HA -0.011 4.303 4.350 -0.059 0.000 0.269 86 T C 1.773 176.441 174.700 -0.053 0.000 1.146 86 T CA 1.091 63.131 62.100 -0.100 0.000 1.091 86 T CB -0.153 68.653 68.868 -0.103 0.000 0.892 86 T HN 0.464 nan 8.240 nan 0.000 0.533 87 A N 0.080 122.921 122.820 0.035 0.000 1.973 87 A HA 0.340 4.625 4.320 -0.059 0.000 0.210 87 A C 1.572 179.178 177.584 0.037 0.000 1.200 87 A CA 0.152 52.221 52.037 0.052 0.000 0.707 87 A CB -0.412 18.651 19.000 0.105 0.000 0.862 87 A HN 0.428 nan 8.150 nan 0.000 0.461 88 F N -0.313 119.570 119.950 -0.113 0.000 2.661 88 F HA 0.020 4.520 4.527 -0.046 0.000 0.298 88 F C 2.089 177.824 175.800 -0.109 0.000 1.137 88 F CA 0.584 58.498 58.000 -0.143 0.000 1.454 88 F CB 0.146 39.026 39.000 -0.200 0.000 1.103 88 F HN 0.034 nan 8.300 nan 0.000 0.577 89 V N -0.499 119.444 119.914 0.048 0.000 2.379 89 V HA -0.182 3.902 4.120 -0.059 0.000 0.243 89 V C 2.061 178.224 176.094 0.115 0.000 1.035 89 V CA 1.412 63.729 62.300 0.029 0.000 1.035 89 V CB -0.450 31.328 31.823 -0.074 0.000 0.673 89 V HN 0.213 nan 8.190 nan 0.000 0.457 90 E N 0.776 121.000 120.200 0.040 0.000 2.095 90 E HA -0.270 4.044 4.350 -0.059 0.000 0.212 90 E C -0.194 176.494 176.600 0.145 0.000 1.044 90 E CA 2.227 58.664 56.400 0.062 0.000 0.857 90 E CB -1.602 28.102 29.700 0.007 0.000 0.764 90 E HN 0.542 nan 8.360 nan 0.000 0.462 91 P HA -0.184 nan 4.420 nan 0.000 0.215 91 P C 1.249 178.720 177.300 0.285 0.000 1.157 91 P CA 1.499 64.739 63.100 0.233 0.000 0.868 91 P CB -0.237 31.662 31.700 0.331 0.000 0.788 92 F N -0.225 119.803 119.950 0.130 0.000 2.408 92 F HA -0.091 4.398 4.527 -0.062 0.000 0.300 92 F C 2.329 178.217 175.800 0.145 0.000 1.090 92 F CA 0.765 58.851 58.000 0.144 0.000 1.427 92 F CB -1.342 37.761 39.000 0.172 0.000 1.070 92 F HN -0.243 nan 8.300 nan 0.000 0.549 93 V N -0.589 119.520 119.914 0.325 0.000 3.129 93 V HA -0.155 3.930 4.120 -0.059 0.000 0.259 93 V C 2.023 178.216 176.094 0.164 0.000 1.116 93 V CA 1.093 63.559 62.300 0.275 0.000 1.127 93 V CB -0.349 31.661 31.823 0.312 0.000 0.742 93 V HN 0.278 nan 8.190 nan 0.000 0.474 94 I N -1.081 119.563 120.570 0.124 0.000 2.628 94 I HA -0.036 4.099 4.170 -0.059 0.000 0.255 94 I C 2.169 178.308 176.117 0.037 0.000 1.119 94 I CA 0.624 61.962 61.300 0.064 0.000 1.448 94 I CB -0.082 37.943 38.000 0.041 0.000 1.133 94 I HN 0.242 nan 8.210 nan 0.000 0.438 95 L N 0.556 121.785 121.223 0.011 0.000 2.083 95 L HA -0.181 4.123 4.340 -0.059 0.000 0.209 95 L C 2.238 179.108 176.870 0.001 0.000 1.083 95 L CA 1.620 56.427 54.840 -0.055 0.000 0.752 95 L CB -0.471 41.469 42.059 -0.199 0.000 0.899 95 L HN 0.139 nan 8.230 nan 0.000 0.433 96 L N -0.834 120.419 121.223 0.050 0.000 1.961 96 L HA -0.226 4.079 4.340 -0.059 0.000 0.210 96 L C 2.343 179.251 176.870 0.064 0.000 1.072 96 L CA 1.714 56.600 54.840 0.077 0.000 0.749 96 L CB -0.814 41.321 42.059 0.127 0.000 0.889 96 L HN 0.257 nan 8.230 nan 0.000 0.432 97 I N -0.809 119.792 120.570 0.051 0.000 2.300 97 I HA -0.319 3.816 4.170 -0.059 0.000 0.252 97 I C 2.352 178.504 176.117 0.057 0.000 1.119 97 I CA 1.620 62.939 61.300 0.033 0.000 1.384 97 I CB -0.304 37.704 38.000 0.014 0.000 1.062 97 I HN 0.304 nan 8.210 nan 0.000 0.426 98 L N 0.686 121.959 121.223 0.084 0.000 2.027 98 L HA -0.142 4.162 4.340 -0.059 0.000 0.206 98 L C 2.411 179.394 176.870 0.189 0.000 1.074 98 L CA 1.758 56.690 54.840 0.153 0.000 0.745 98 L CB -0.554 41.616 42.059 0.185 0.000 0.898 98 L HN 0.145 nan 8.230 nan 0.000 0.433 99 I N -1.032 119.641 120.570 0.172 0.000 2.286 99 I HA -0.295 3.840 4.170 -0.059 0.000 0.248 99 I C 2.500 178.669 176.117 0.088 0.000 1.115 99 I CA 1.061 62.464 61.300 0.171 0.000 1.392 99 I CB -0.552 37.525 38.000 0.128 0.000 1.065 99 I HN 0.255 nan 8.210 nan 0.000 0.418 100 A N 0.951 123.807 122.820 0.060 0.000 1.978 100 A HA -0.212 4.072 4.320 -0.059 0.000 0.220 100 A C 2.019 179.604 177.584 0.001 0.000 1.170 100 A CA 1.892 53.944 52.037 0.024 0.000 0.636 100 A CB -0.516 18.492 19.000 0.012 0.000 0.810 100 A HN 0.435 nan 8.150 nan 0.000 0.448 101 N N -0.172 118.531 118.700 0.005 0.000 2.336 101 N HA 0.056 4.761 4.740 -0.059 0.000 0.177 101 N C 1.880 177.351 175.510 -0.065 0.000 1.018 101 N CA 1.181 54.218 53.050 -0.022 0.000 0.878 101 N CB -0.514 37.969 38.487 -0.008 0.000 0.997 101 N HN 0.410 nan 8.380 nan 0.000 0.433 102 A N 1.539 124.301 122.820 -0.097 0.000 1.986 102 A HA -0.125 4.160 4.320 -0.059 0.000 0.220 102 A C 2.176 179.704 177.584 -0.094 0.000 1.171 102 A CA 0.958 52.866 52.037 -0.215 0.000 0.640 102 A CB -0.563 18.261 19.000 -0.294 0.000 0.811 102 A HN 0.356 nan 8.150 nan 0.000 0.451 103 I N -0.752 119.812 120.570 -0.011 0.000 2.235 103 I HA -0.133 4.002 4.170 -0.059 0.000 0.241 103 I C 2.082 178.243 176.117 0.074 0.000 1.085 103 I CA 1.257 62.594 61.300 0.061 0.000 1.378 103 I CB -0.092 37.958 38.000 0.082 0.000 1.076 103 I HN 0.124 nan 8.210 nan 0.000 0.415 104 V N 1.847 121.754 119.914 -0.011 0.000 2.453 104 V HA -0.250 3.834 4.120 -0.059 0.000 0.252 104 V C 2.523 178.634 176.094 0.028 0.000 1.068 104 V CA 2.023 64.294 62.300 -0.049 0.000 1.070 104 V CB -1.784 29.985 31.823 -0.091 0.000 0.664 104 V HN 0.686 nan 8.190 nan 0.000 0.461 105 G N -0.800 108.000 108.800 0.001 0.000 2.456 105 G HA2 -0.180 3.744 3.960 -0.059 0.000 0.213 105 G HA3 -0.180 3.744 3.960 -0.059 0.000 0.213 105 G C 1.727 176.635 174.900 0.013 0.000 1.215 105 G CA 0.869 45.959 45.100 -0.018 0.000 0.805 105 G HN 0.329 nan 8.290 nan 0.000 0.537 106 V N 0.130 120.043 119.914 -0.001 0.000 2.568 106 V HA -0.109 3.975 4.120 -0.059 0.000 0.253 106 V C 2.119 178.267 176.094 0.089 0.000 1.072 106 V CA 2.029 64.332 62.300 0.005 0.000 1.084 106 V CB -0.304 31.507 31.823 -0.020 0.000 0.676 106 V HN 0.604 nan 8.190 nan 0.000 0.469 107 W N 0.165 121.432 121.300 -0.055 0.000 2.408 107 W HA -0.130 4.493 4.660 -0.060 0.000 0.311 107 W C 2.344 178.838 176.519 -0.041 0.000 1.190 107 W CA 1.842 59.163 57.345 -0.041 0.000 1.321 107 W CB -0.550 28.886 29.460 -0.041 0.000 1.143 107 W HN 0.305 nan 8.180 nan 0.000 0.501 108 Q N 0.925 120.922 119.800 0.328 0.000 2.096 108 Q HA -0.257 4.047 4.340 -0.059 0.000 0.204 108 Q C 2.070 178.118 176.000 0.081 0.000 0.982 108 Q CA 2.535 58.453 55.803 0.191 0.000 0.850 108 Q CB -0.628 28.163 28.738 0.087 0.000 0.901 108 Q HN 0.238 nan 8.270 nan 0.000 0.422 109 E N -0.086 120.137 120.200 0.039 0.000 2.097 109 E HA -0.220 4.094 4.350 -0.059 0.000 0.196 109 E C 1.899 178.486 176.600 -0.021 0.000 1.000 109 E CA 1.527 57.921 56.400 -0.010 0.000 0.804 109 E CB -0.139 29.544 29.700 -0.029 0.000 0.740 109 E HN 0.282 nan 8.360 nan 0.000 0.454 110 R N 0.023 120.504 120.500 -0.033 0.000 2.070 110 R HA -0.123 4.182 4.340 -0.059 0.000 0.232 110 R C 2.223 178.479 176.300 -0.073 0.000 1.138 110 R CA 2.011 58.061 56.100 -0.083 0.000 0.936 110 R CB -0.456 29.739 30.300 -0.174 0.000 0.839 110 R HN 0.313 nan 8.270 nan 0.000 0.429 111 N N -0.205 118.462 118.700 -0.056 0.000 2.094 111 N HA -0.236 4.469 4.740 -0.059 0.000 0.191 111 N C 1.774 177.276 175.510 -0.012 0.000 1.023 111 N CA 1.069 54.107 53.050 -0.020 0.000 0.857 111 N CB -0.166 38.360 38.487 0.065 0.000 1.013 111 N HN 0.313 nan 8.380 nan 0.000 0.426 112 A N 1.896 124.711 122.820 -0.009 0.000 1.834 112 A HA -0.238 4.047 4.320 -0.059 0.000 0.216 112 A C 1.957 179.526 177.584 -0.025 0.000 1.203 112 A CA 1.661 53.686 52.037 -0.020 0.000 0.621 112 A CB -0.888 18.096 19.000 -0.026 0.000 0.841 112 A HN 0.299 nan 8.150 nan 0.000 0.446 113 E N -0.166 120.017 120.200 -0.029 0.000 2.136 113 E HA -0.282 4.033 4.350 -0.059 0.000 0.202 113 E C 1.957 178.541 176.600 -0.027 0.000 1.019 113 E CA 1.703 58.085 56.400 -0.029 0.000 0.819 113 E CB -0.442 29.239 29.700 -0.032 0.000 0.739 113 E HN 0.749 nan 8.360 nan 0.000 0.458 114 N N 0.241 118.921 118.700 -0.033 0.000 2.039 114 N HA -0.176 4.528 4.740 -0.059 0.000 0.193 114 N C 2.007 177.504 175.510 -0.022 0.000 1.044 114 N CA 0.874 53.906 53.050 -0.030 0.000 0.847 114 N CB -0.196 38.266 38.487 -0.042 0.000 1.030 114 N HN 0.127 nan 8.380 nan 0.000 0.422 115 A N 1.689 124.496 122.820 -0.021 0.000 1.892 115 A HA -0.184 4.100 4.320 -0.059 0.000 0.218 115 A C 2.059 179.630 177.584 -0.022 0.000 1.188 115 A CA 1.304 53.328 52.037 -0.021 0.000 0.631 115 A CB -0.631 18.357 19.000 -0.020 0.000 0.822 115 A HN 0.203 nan 8.150 nan 0.000 0.447 116 I N -0.362 120.196 120.570 -0.021 0.000 2.202 116 I HA -0.144 3.991 4.170 -0.059 0.000 0.242 116 I C 2.363 178.475 176.117 -0.008 0.000 1.091 116 I CA 1.298 62.588 61.300 -0.017 0.000 1.368 116 I CB -1.440 36.549 38.000 -0.018 0.000 1.058 116 I HN 0.335 nan 8.210 nan 0.000 0.410 117 E N 0.862 121.057 120.200 -0.009 0.000 2.333 117 E HA -0.126 4.188 4.350 -0.059 0.000 0.198 117 E C 2.051 178.655 176.600 0.007 0.000 1.007 117 E CA 1.065 57.464 56.400 -0.002 0.000 0.845 117 E CB 0.165 29.860 29.700 -0.008 0.000 0.766 117 E HN 0.466 nan 8.360 nan 0.000 0.507 118 A N -0.169 122.653 122.820 0.004 0.000 2.044 118 A HA -0.004 4.281 4.320 -0.059 0.000 0.213 118 A C 2.006 179.606 177.584 0.028 0.000 1.169 118 A CA 0.177 52.223 52.037 0.014 0.000 0.724 118 A CB -0.089 18.912 19.000 0.000 0.000 0.840 118 A HN 0.230 nan 8.150 nan 0.000 0.463 119 L N -0.135 121.092 121.223 0.007 0.000 2.179 119 L HA 0.054 4.359 4.340 -0.059 0.000 0.208 119 L C 2.031 178.942 176.870 0.068 0.000 1.096 119 L CA 1.724 56.566 54.840 0.004 0.000 0.779 119 L CB -0.358 41.683 42.059 -0.030 0.000 0.922 119 L HN 0.285 nan 8.230 nan 0.000 0.443 120 K N -0.569 119.861 120.400 0.051 0.000 2.025 120 K HA -0.197 4.088 4.320 -0.059 0.000 0.207 120 K C 1.914 178.560 176.600 0.076 0.000 1.049 120 K CA 1.338 57.659 56.287 0.056 0.000 0.933 120 K CB -0.155 32.363 32.500 0.030 0.000 0.714 120 K HN 0.135 nan 8.250 nan 0.000 0.438 121 E N 0.565 120.807 120.200 0.071 0.000 2.331 121 E HA -0.210 4.104 4.350 -0.059 0.000 0.199 121 E C 1.321 177.985 176.600 0.106 0.000 1.008 121 E CA 0.849 57.288 56.400 0.066 0.000 0.843 121 E CB -0.194 29.538 29.700 0.053 0.000 0.761 121 E HN 0.248 nan 8.360 nan 0.000 0.507 122 Y N 1.447 121.742 120.300 -0.008 0.000 2.169 122 Y HA -0.150 4.365 4.550 -0.059 0.000 0.219 122 Y C 0.603 176.498 175.900 -0.007 0.000 0.994 122 Y CA 1.927 60.023 58.100 -0.007 0.000 0.986 122 Y CB -0.685 37.772 38.460 -0.005 0.000 0.961 122 Y HN 0.035 nan 8.280 nan 0.000 0.518 123 E N 3.164 123.295 120.200 -0.115 0.000 2.220 123 E HA 0.109 4.424 4.350 -0.059 0.000 0.272 123 E C -2.305 174.243 176.600 -0.087 0.000 1.099 123 E CA -1.806 54.474 56.400 -0.198 0.000 0.907 123 E CB 0.071 29.728 29.700 -0.072 0.000 1.022 123 E HN 0.218 nan 8.360 nan 0.000 0.428 124 P HA 0.000 nan 4.420 nan 0.000 0.269 124 P C -0.687 176.588 177.300 -0.041 0.000 1.209 124 P CA 0.107 63.170 63.100 -0.061 0.000 0.776 124 P CB 0.811 32.468 31.700 -0.072 0.000 0.876 125 E N 1.592 121.779 120.200 -0.022 0.000 2.373 125 E HA 0.185 4.499 4.350 -0.059 0.000 0.267 125 E C 0.209 176.798 176.600 -0.018 0.000 1.032 125 E CA -0.165 56.227 56.400 -0.014 0.000 0.889 125 E CB 0.428 30.126 29.700 -0.003 0.000 0.984 125 E HN 0.379 nan 8.360 nan 0.000 0.425 126 M N 0.834 120.422 119.600 -0.020 0.000 2.762 126 M HA 0.578 5.022 4.480 -0.059 0.000 0.306 126 M C 0.177 176.464 176.300 -0.021 0.000 1.223 126 M CA -0.699 54.586 55.300 -0.025 0.000 0.896 126 M CB 1.550 34.130 32.600 -0.034 0.000 1.684 126 M HN 0.592 nan 8.290 nan 0.000 0.491 127 G N 0.703 109.486 108.800 -0.027 0.000 2.706 127 G HA2 0.600 4.524 3.960 -0.059 0.000 0.297 127 G HA3 0.600 4.524 3.960 -0.059 0.000 0.297 127 G C -1.514 173.361 174.900 -0.041 0.000 1.403 127 G CA -0.775 44.309 45.100 -0.027 0.000 0.954 127 G HN 0.552 nan 8.290 nan 0.000 0.500 128 K N 0.678 121.053 120.400 -0.043 0.000 2.234 128 K HA 0.602 4.886 4.320 -0.059 0.000 0.277 128 K C -0.194 176.366 176.600 -0.068 0.000 1.038 128 K CA -0.680 55.564 56.287 -0.071 0.000 0.888 128 K CB 2.051 34.510 32.500 -0.068 0.000 1.091 128 K HN 0.574 nan 8.250 nan 0.000 0.467 129 V N 0.012 119.861 119.914 -0.107 0.000 3.130 129 V HA 0.536 4.620 4.120 -0.059 0.000 0.310 129 V C -1.546 174.454 176.094 -0.157 0.000 1.158 129 V CA -1.090 61.171 62.300 -0.065 0.000 1.029 129 V CB 1.314 33.122 31.823 -0.025 0.000 1.057 129 V HN 0.628 nan 8.190 nan 0.000 0.436 130 Y N 1.184 121.474 120.300 -0.017 0.000 2.352 130 Y HA 0.846 5.360 4.550 -0.059 0.000 0.339 130 Y C 0.546 176.435 175.900 -0.019 0.000 0.992 130 Y CA -0.362 57.731 58.100 -0.012 0.000 1.100 130 Y CB 2.033 40.489 38.460 -0.007 0.000 1.192 130 Y HN 0.620 nan 8.280 nan 0.000 0.458 131 R N 0.933 121.506 120.500 0.122 0.000 2.698 131 R HA 0.534 4.838 4.340 -0.059 0.000 0.275 131 R C 0.374 176.710 176.300 0.060 0.000 1.001 131 R CA -0.529 55.607 56.100 0.061 0.000 0.896 131 R CB 1.802 32.109 30.300 0.011 0.000 1.218 131 R HN 0.791 nan 8.270 nan 0.000 0.462 132 A N 1.207 124.050 122.820 0.037 0.000 1.958 132 A HA -0.280 4.004 4.320 -0.059 0.000 0.221 132 A C 1.582 179.182 177.584 0.026 0.000 1.178 132 A CA 2.392 54.448 52.037 0.032 0.000 0.642 132 A CB -0.598 18.410 19.000 0.015 0.000 0.816 132 A HN 0.937 nan 8.150 nan 0.000 0.453 133 D N -1.015 119.394 120.400 0.015 0.000 2.200 133 D HA -0.172 4.433 4.640 -0.059 0.000 0.192 133 D C 0.906 177.216 176.300 0.016 0.000 1.008 133 D CA 1.484 55.490 54.000 0.009 0.000 0.872 133 D CB 0.055 40.856 40.800 0.001 0.000 0.923 133 D HN 0.614 nan 8.370 nan 0.000 0.447 134 R N -1.786 118.729 120.500 0.025 0.000 2.707 134 R HA 0.352 4.656 4.340 -0.059 0.000 0.272 134 R C 0.544 176.877 176.300 0.056 0.000 1.011 134 R CA -0.774 55.344 56.100 0.029 0.000 0.893 134 R CB 1.287 31.595 30.300 0.014 0.000 1.233 134 R HN -0.187 nan 8.270 nan 0.000 0.464 135 K N 0.377 120.812 120.400 0.059 0.000 2.155 135 K HA 0.074 4.359 4.320 -0.059 0.000 0.203 135 K C 0.486 177.162 176.600 0.127 0.000 1.052 135 K CA 0.926 57.267 56.287 0.090 0.000 0.948 135 K CB 0.188 32.727 32.500 0.066 0.000 0.728 135 K HN 0.281 nan 8.250 nan 0.000 0.448 136 S N 0.507 116.243 115.700 0.061 0.000 2.617 136 S HA 0.177 4.611 4.470 -0.059 0.000 0.283 136 S C -0.679 173.819 174.600 -0.169 0.000 1.189 136 S CA -0.775 57.432 58.200 0.011 0.000 1.036 136 S CB 1.983 65.188 63.200 0.008 0.000 1.014 136 S HN 0.085 nan 8.310 nan 0.000 0.522 137 V N 3.943 123.601 119.914 -0.426 0.000 2.617 137 V HA 0.186 4.271 4.120 -0.059 0.000 0.304 137 V C -0.206 175.699 176.094 -0.315 0.000 1.040 137 V CA 0.575 62.453 62.300 -0.704 0.000 1.149 137 V CB 0.138 31.502 31.823 -0.765 0.000 0.914 137 V HN 0.918 nan 8.190 nan 0.000 0.487 138 Q N 5.915 125.561 119.800 -0.257 0.000 2.359 138 Q HA 0.696 5.000 4.340 -0.059 0.000 0.275 138 Q C -0.818 175.110 176.000 -0.119 0.000 1.082 138 Q CA -1.142 54.578 55.803 -0.139 0.000 0.849 138 Q CB 1.935 30.619 28.738 -0.090 0.000 1.377 138 Q HN 0.743 nan 8.270 nan 0.000 0.452 139 R N 0.207 120.654 120.500 -0.089 0.000 2.536 139 R HA 0.736 5.041 4.340 -0.059 0.000 0.279 139 R C -0.859 175.404 176.300 -0.063 0.000 1.001 139 R CA -0.598 55.457 56.100 -0.075 0.000 1.027 139 R CB 1.165 31.421 30.300 -0.073 0.000 1.096 139 R HN 0.680 nan 8.270 nan 0.000 0.502 140 I N -0.581 119.958 120.570 -0.051 0.000 2.947 140 I HA 0.164 4.299 4.170 -0.059 0.000 0.301 140 I C -1.378 174.722 176.117 -0.028 0.000 1.453 140 I CA -0.886 60.392 61.300 -0.038 0.000 0.984 140 I CB 2.019 40.001 38.000 -0.031 0.000 1.333 140 I HN 0.423 nan 8.210 nan 0.000 0.475 141 K N 4.012 124.401 120.400 -0.019 0.000 2.451 141 K HA 0.339 4.623 4.320 -0.059 0.000 0.280 141 K C 1.022 177.625 176.600 0.005 0.000 1.020 141 K CA 0.607 56.887 56.287 -0.011 0.000 1.008 141 K CB 0.720 33.218 32.500 -0.003 0.000 0.917 141 K HN 0.700 nan 8.250 nan 0.000 0.478 142 A N 4.509 127.331 122.820 0.002 0.000 1.978 142 A HA -0.231 4.053 4.320 -0.059 0.000 0.220 142 A C 1.999 179.602 177.584 0.031 0.000 1.170 142 A CA 1.623 53.666 52.037 0.009 0.000 0.636 142 A CB -0.458 18.546 19.000 0.006 0.000 0.810 142 A HN 0.915 nan 8.150 nan 0.000 0.448 143 R N -0.729 119.800 120.500 0.048 0.000 2.189 143 R HA -0.092 4.212 4.340 -0.059 0.000 0.223 143 R C 0.417 176.815 176.300 0.163 0.000 1.092 143 R CA 1.543 57.703 56.100 0.100 0.000 0.989 143 R CB -0.519 29.831 30.300 0.083 0.000 0.876 143 R HN 0.299 nan 8.270 nan 0.000 0.457 144 D N 1.142 121.613 120.400 0.118 0.000 2.347 144 D HA 0.114 4.718 4.640 -0.059 0.000 0.213 144 D C 0.778 177.085 176.300 0.012 0.000 0.985 144 D CA 0.290 54.345 54.000 0.091 0.000 0.879 144 D CB 0.085 40.926 40.800 0.067 0.000 0.919 144 D HN 0.258 nan 8.370 nan 0.000 0.526 145 I N 1.669 122.246 120.570 0.011 0.000 2.752 145 I HA -0.048 4.086 4.170 -0.059 0.000 0.287 145 I C 0.561 176.662 176.117 -0.026 0.000 1.188 145 I CA -0.035 61.256 61.300 -0.016 0.000 1.427 145 I CB 0.677 38.666 38.000 -0.017 0.000 1.365 145 I HN -0.224 nan 8.210 nan 0.000 0.585 146 V N 4.111 123.999 119.914 -0.043 0.000 3.001 146 V HA 0.602 4.687 4.120 -0.059 0.000 0.314 146 V C -2.655 173.350 176.094 -0.148 0.000 1.099 146 V CA -2.464 59.810 62.300 -0.043 0.000 0.989 146 V CB 1.636 33.502 31.823 0.071 0.000 1.040 146 V HN 0.521 nan 8.190 nan 0.000 0.434 147 P HA 0.403 nan 4.420 nan 0.000 0.271 147 P C 0.621 177.432 177.300 -0.816 0.000 1.233 147 P CA 1.470 64.261 63.100 -0.515 0.000 0.764 147 P CB 0.941 32.275 31.700 -0.609 0.000 0.825 148 G N 3.854 112.143 108.800 -0.852 0.000 3.753 148 G HA2 -0.138 3.787 3.960 -0.059 0.000 0.196 148 G HA3 -0.138 3.787 3.960 -0.059 0.000 0.196 148 G C -0.420 174.308 174.900 -0.286 0.000 1.538 148 G CA -0.127 44.457 45.100 -0.861 0.000 1.040 148 G HN 0.619 nan 8.290 nan 0.000 0.427 149 D N 1.960 122.265 120.400 -0.159 0.000 2.382 149 D HA 0.440 5.044 4.640 -0.059 0.000 0.240 149 D C 0.261 176.539 176.300 -0.038 0.000 1.146 149 D CA -0.426 53.533 54.000 -0.068 0.000 0.897 149 D CB 0.816 41.588 40.800 -0.047 0.000 1.197 149 D HN 0.202 nan 8.370 nan 0.000 0.432 150 I N 1.009 121.595 120.570 0.026 0.000 2.496 150 I HA 0.112 4.247 4.170 -0.059 0.000 0.285 150 I C 0.078 176.259 176.117 0.106 0.000 1.080 150 I CA -0.348 60.991 61.300 0.065 0.000 1.404 150 I CB 1.031 39.082 38.000 0.085 0.000 1.403 150 I HN 0.200 nan 8.210 nan 0.000 0.539 151 V N 6.241 126.199 119.914 0.075 0.000 2.715 151 V HA 0.477 4.561 4.120 -0.059 0.000 0.310 151 V C -0.132 176.016 176.094 0.090 0.000 1.054 151 V CA -0.865 61.473 62.300 0.064 0.000 0.928 151 V CB 1.976 33.806 31.823 0.012 0.000 1.007 151 V HN 0.739 nan 8.190 nan 0.000 0.437 152 E N 2.412 122.659 120.200 0.079 0.000 2.227 152 E HA 0.779 5.093 4.350 -0.059 0.000 0.268 152 E C -1.591 175.030 176.600 0.035 0.000 0.907 152 E CA -0.585 55.866 56.400 0.084 0.000 0.786 152 E CB 2.283 32.049 29.700 0.109 0.000 1.191 152 E HN 0.636 nan 8.360 nan 0.000 0.411 153 V N -0.372 119.562 119.914 0.033 0.000 3.012 153 V HA 0.975 5.059 4.120 -0.059 0.000 0.307 153 V C -1.111 174.997 176.094 0.025 0.000 1.166 153 V CA -0.439 61.872 62.300 0.018 0.000 0.974 153 V CB 1.039 32.866 31.823 0.007 0.000 1.040 153 V HN 0.855 nan 8.190 nan 0.000 0.428 154 A N 2.349 125.183 122.820 0.023 0.000 2.564 154 A HA 0.903 5.188 4.320 -0.059 0.000 0.288 154 A C -0.330 177.273 177.584 0.031 0.000 1.164 154 A CA -0.583 51.473 52.037 0.032 0.000 0.712 154 A CB 1.617 20.640 19.000 0.038 0.000 1.303 154 A HN 1.966 nan 8.150 nan 0.000 0.418 155 V N 0.959 120.898 119.914 0.042 0.000 2.742 155 V HA 0.279 4.364 4.120 -0.059 0.000 0.302 155 V C 1.708 177.825 176.094 0.038 0.000 1.133 155 V CA 2.027 64.352 62.300 0.042 0.000 1.284 155 V CB -0.574 31.285 31.823 0.061 0.000 0.850 155 V HN 2.447 nan 8.190 nan 0.000 0.494 156 G N 3.090 111.908 108.800 0.030 0.000 2.258 156 G HA2 -0.204 3.720 3.960 -0.059 0.000 0.233 156 G HA3 -0.204 3.720 3.960 -0.059 0.000 0.233 156 G C 0.048 174.961 174.900 0.022 0.000 1.006 156 G CA 0.127 45.244 45.100 0.028 0.000 0.620 156 G HN 0.688 nan 8.290 nan 0.000 0.511 157 D N 0.774 121.185 120.400 0.019 0.000 2.361 157 D HA 0.446 5.051 4.640 -0.059 0.000 0.239 157 D C 0.546 176.854 176.300 0.013 0.000 1.200 157 D CA 0.360 54.368 54.000 0.014 0.000 0.915 157 D CB 1.101 41.908 40.800 0.010 0.000 1.170 157 D HN 0.323 nan 8.370 nan 0.000 0.444 158 K N 0.777 121.184 120.400 0.012 0.000 2.263 158 K HA 0.253 4.537 4.320 -0.059 0.000 0.272 158 K C -1.194 175.413 176.600 0.012 0.000 1.033 158 K CA -0.643 55.653 56.287 0.014 0.000 0.884 158 K CB 0.873 33.381 32.500 0.014 0.000 1.107 158 K HN 0.060 nan 8.250 nan 0.000 0.460 159 V N 8.524 128.447 119.914 0.015 0.000 2.493 159 V HA 0.048 4.132 4.120 -0.059 0.000 0.292 159 V C -1.226 174.876 176.094 0.013 0.000 1.016 159 V CA -0.875 61.430 62.300 0.008 0.000 1.097 159 V CB 0.827 32.653 31.823 0.005 0.000 0.947 159 V HN 0.897 nan 8.190 nan 0.000 0.479 160 P HA 0.051 nan 4.420 nan 0.000 0.221 160 P C 0.275 177.580 177.300 0.009 0.000 1.150 160 P CA 1.323 64.427 63.100 0.006 0.000 0.800 160 P CB 0.646 32.345 31.700 -0.002 0.000 0.787 161 A N -0.962 121.861 122.820 0.004 0.000 2.564 161 A HA 0.405 4.689 4.320 -0.059 0.000 0.291 161 A C -1.550 176.035 177.584 0.001 0.000 1.102 161 A CA -0.659 51.383 52.037 0.007 0.000 0.660 161 A CB 0.066 19.059 19.000 -0.011 0.000 1.283 161 A HN -0.210 nan 8.150 nan 0.000 0.430 162 D N 1.718 122.126 120.400 0.015 0.000 2.342 162 D HA 0.386 4.990 4.640 -0.059 0.000 0.260 162 D C -0.257 176.013 176.300 -0.051 0.000 1.278 162 D CA 0.619 54.619 54.000 -0.001 0.000 0.910 162 D CB 0.217 41.059 40.800 0.070 0.000 1.079 162 D HN 0.296 nan 8.370 nan 0.000 0.496 163 I N 2.182 122.690 120.570 -0.103 0.000 2.460 163 I HA 0.245 4.379 4.170 -0.059 0.000 0.298 163 I C 0.649 176.704 176.117 -0.104 0.000 0.989 163 I CA -0.812 60.436 61.300 -0.086 0.000 1.173 163 I CB 1.282 39.237 38.000 -0.074 0.000 1.338 163 I HN 0.041 nan 8.210 nan 0.000 0.456 164 R N 6.315 126.786 120.500 -0.047 0.000 2.198 164 R HA 0.439 4.744 4.340 -0.059 0.000 0.339 164 R C -0.437 175.850 176.300 -0.023 0.000 1.020 164 R CA -0.759 55.324 56.100 -0.029 0.000 0.864 164 R CB 0.072 30.383 30.300 0.018 0.000 1.105 164 R HN 0.555 nan 8.270 nan 0.000 0.463 165 I N 6.110 126.657 120.570 -0.038 0.000 2.826 165 I HA -0.195 3.939 4.170 -0.059 0.000 0.295 165 I C 1.368 177.485 176.117 -0.001 0.000 1.213 165 I CA 0.429 61.715 61.300 -0.023 0.000 1.436 165 I CB 0.559 38.542 38.000 -0.027 0.000 1.348 165 I HN 0.532 nan 8.210 nan 0.000 0.570 166 L N 4.094 125.319 121.223 0.003 0.000 2.467 166 L HA 0.181 4.485 4.340 -0.059 0.000 0.213 166 L C 0.705 177.579 176.870 0.007 0.000 1.053 166 L CA 0.509 55.354 54.840 0.008 0.000 0.847 166 L CB 0.404 42.466 42.059 0.005 0.000 1.075 166 L HN 0.667 nan 8.230 nan 0.000 0.479 167 S N -0.346 115.358 115.700 0.006 0.000 2.562 167 S HA 0.489 4.923 4.470 -0.059 0.000 0.274 167 S C -1.087 173.524 174.600 0.019 0.000 1.160 167 S CA -0.576 57.630 58.200 0.011 0.000 0.933 167 S CB 1.172 64.374 63.200 0.002 0.000 1.100 167 S HN 0.065 nan 8.310 nan 0.000 0.468 168 I N 4.044 124.630 120.570 0.026 0.000 2.304 168 I HA 0.354 4.488 4.170 -0.059 0.000 0.291 168 I C 0.054 176.199 176.117 0.046 0.000 1.018 168 I CA -0.552 60.767 61.300 0.032 0.000 1.260 168 I CB 1.242 39.260 38.000 0.031 0.000 1.390 168 I HN 0.496 nan 8.210 nan 0.000 0.475 169 K N 4.802 125.234 120.400 0.054 0.000 3.173 169 K HA 0.207 4.492 4.320 -0.059 0.000 0.255 169 K C -0.621 176.032 176.600 0.088 0.000 1.235 169 K CA -0.154 56.175 56.287 0.070 0.000 1.250 169 K CB -0.093 32.449 32.500 0.070 0.000 1.382 169 K HN 0.732 nan 8.250 nan 0.000 0.421 170 S N -3.719 112.035 115.700 0.091 0.000 2.627 170 S HA 0.065 4.499 4.470 -0.059 0.000 0.268 170 S C 0.946 175.613 174.600 0.111 0.000 1.130 170 S CA -0.420 57.849 58.200 0.115 0.000 0.819 170 S CB 0.643 63.911 63.200 0.113 0.000 1.100 170 S HN 0.145 nan 8.310 nan 0.000 0.465 171 T N -0.731 113.914 114.554 0.152 0.000 2.788 171 T HA 0.181 4.495 4.350 -0.059 0.000 0.268 171 T C 0.702 175.470 174.700 0.113 0.000 1.044 171 T CA 1.698 63.887 62.100 0.148 0.000 1.139 171 T CB -0.653 68.385 68.868 0.283 0.000 0.867 171 T HN 0.894 nan 8.240 nan 0.000 0.454 172 T N 1.184 115.798 114.554 0.100 0.000 2.903 172 T HA 0.662 4.977 4.350 -0.059 0.000 0.299 172 T C -1.690 173.024 174.700 0.022 0.000 1.093 172 T CA -0.762 61.366 62.100 0.048 0.000 1.002 172 T CB 2.133 71.021 68.868 0.035 0.000 1.127 172 T HN 0.202 nan 8.240 nan 0.000 0.488 173 L N 2.647 123.857 121.223 -0.022 0.000 2.485 173 L HA 0.496 4.800 4.340 -0.059 0.000 0.260 173 L C -0.651 176.185 176.870 -0.057 0.000 0.998 173 L CA -0.364 54.458 54.840 -0.031 0.000 0.883 173 L CB 0.579 42.614 42.059 -0.041 0.000 1.196 173 L HN 0.508 nan 8.230 nan 0.000 0.443 174 R N 3.397 123.877 120.500 -0.034 0.000 2.428 174 R HA 0.828 5.133 4.340 -0.059 0.000 0.294 174 R C -1.102 175.184 176.300 -0.023 0.000 1.000 174 R CA -0.884 55.195 56.100 -0.036 0.000 0.960 174 R CB 2.160 32.444 30.300 -0.026 0.000 1.076 174 R HN 0.341 nan 8.270 nan 0.000 0.475 175 V N 1.014 120.917 119.914 -0.019 0.000 2.914 175 V HA 0.180 4.265 4.120 -0.059 0.000 0.314 175 V C -0.838 175.263 176.094 0.012 0.000 1.084 175 V CA -0.872 61.427 62.300 -0.002 0.000 0.963 175 V CB 2.306 34.128 31.823 -0.001 0.000 1.025 175 V HN 0.707 nan 8.190 nan 0.000 0.432 176 D N 2.153 122.565 120.400 0.020 0.000 2.427 176 D HA 0.423 5.027 4.640 -0.059 0.000 0.226 176 D C 0.403 176.727 176.300 0.040 0.000 1.076 176 D CA -0.347 53.666 54.000 0.022 0.000 0.849 176 D CB 1.268 42.076 40.800 0.014 0.000 1.052 176 D HN 0.637 nan 8.370 nan 0.000 0.515 177 Q N 1.953 121.781 119.800 0.047 0.000 2.135 177 Q HA 0.114 4.418 4.340 -0.059 0.000 0.222 177 Q C 1.182 177.194 176.000 0.020 0.000 0.808 177 Q CA -0.248 55.592 55.803 0.061 0.000 1.049 177 Q CB 0.367 29.181 28.738 0.127 0.000 1.168 177 Q HN 0.381 nan 8.270 nan 0.000 0.483 178 S N 1.412 117.117 115.700 0.009 0.000 2.400 178 S HA -0.277 4.158 4.470 -0.059 0.000 0.234 178 S C 1.760 176.352 174.600 -0.014 0.000 1.049 178 S CA 1.311 59.508 58.200 -0.006 0.000 1.039 178 S CB -0.649 62.548 63.200 -0.005 0.000 0.856 178 S HN 0.580 nan 8.310 nan 0.000 0.465 179 I N -0.172 120.394 120.570 -0.007 0.000 2.657 179 I HA -0.088 4.047 4.170 -0.059 0.000 0.261 179 I C 1.955 178.053 176.117 -0.033 0.000 1.212 179 I CA 1.209 62.501 61.300 -0.013 0.000 1.453 179 I CB -0.044 37.955 38.000 -0.001 0.000 1.092 179 I HN 0.408 nan 8.210 nan 0.000 0.452 180 L N -0.881 120.313 121.223 -0.049 0.000 2.919 180 L HA -0.018 4.286 4.340 -0.059 0.000 0.169 180 L C 2.382 179.184 176.870 -0.113 0.000 1.228 180 L CA 1.043 55.820 54.840 -0.104 0.000 0.862 180 L CB -0.300 41.651 42.059 -0.179 0.000 1.313 180 L HN 0.204 nan 8.230 nan 0.000 0.526 181 T N -2.795 111.695 114.554 -0.108 0.000 3.051 181 T HA 0.024 4.339 4.350 -0.059 0.000 0.269 181 T C 1.435 176.104 174.700 -0.052 0.000 1.127 181 T CA 0.993 63.041 62.100 -0.087 0.000 1.107 181 T CB 0.036 68.871 68.868 -0.056 0.000 0.898 181 T HN 0.655 nan 8.240 nan 0.000 0.517 182 G N 2.112 110.888 108.800 -0.041 0.000 2.304 182 G HA2 -0.327 3.598 3.960 -0.059 0.000 0.252 182 G HA3 -0.327 3.598 3.960 -0.059 0.000 0.252 182 G C -0.003 174.886 174.900 -0.019 0.000 1.014 182 G CA 0.241 45.323 45.100 -0.029 0.000 0.619 182 G HN 0.992 nan 8.290 nan 0.000 0.525 183 E N 1.639 121.830 120.200 -0.015 0.000 2.328 183 E HA 0.447 4.762 4.350 -0.059 0.000 0.265 183 E C 1.552 178.149 176.600 -0.006 0.000 1.057 183 E CA 0.440 56.835 56.400 -0.009 0.000 0.916 183 E CB 0.961 30.659 29.700 -0.004 0.000 0.993 183 E HN 0.594 nan 8.360 nan 0.000 0.446 184 S N 3.536 119.231 115.700 -0.008 0.000 2.348 184 S HA -0.128 4.307 4.470 -0.059 0.000 0.221 184 S C 1.191 175.787 174.600 -0.007 0.000 1.033 184 S CA 0.600 58.795 58.200 -0.008 0.000 1.010 184 S CB -0.545 62.648 63.200 -0.011 0.000 0.891 184 S HN 0.409 nan 8.310 nan 0.000 0.442 185 V N 3.711 123.620 119.914 -0.008 0.000 2.901 185 V HA 0.156 4.240 4.120 -0.059 0.000 0.307 185 V C 0.879 176.970 176.094 -0.005 0.000 1.084 185 V CA 0.089 62.383 62.300 -0.008 0.000 1.184 185 V CB 0.352 32.169 31.823 -0.009 0.000 0.941 185 V HN 0.719 nan 8.190 nan 0.000 0.493 186 S N 4.230 119.925 115.700 -0.007 0.000 2.510 186 S HA 0.424 4.858 4.470 -0.059 0.000 0.279 186 S C -0.372 174.223 174.600 -0.008 0.000 1.284 186 S CA -0.697 57.499 58.200 -0.006 0.000 1.059 186 S CB 0.926 64.120 63.200 -0.010 0.000 0.901 186 S HN 1.127 nan 8.310 nan 0.000 0.491 187 V N 2.408 122.319 119.914 -0.004 0.000 2.644 187 V HA 0.567 4.652 4.120 -0.059 0.000 0.295 187 V C 0.147 176.218 176.094 -0.038 0.000 1.053 187 V CA -1.127 61.168 62.300 -0.009 0.000 0.987 187 V CB 0.359 32.189 31.823 0.011 0.000 1.006 187 V HN 0.886 nan 8.190 nan 0.000 0.472 188 I N 4.050 124.583 120.570 -0.061 0.000 2.519 188 I HA 0.407 4.541 4.170 -0.059 0.000 0.287 188 I C 0.464 176.419 176.117 -0.269 0.000 1.047 188 I CA -0.299 60.913 61.300 -0.148 0.000 1.381 188 I CB 1.003 38.921 38.000 -0.136 0.000 1.417 188 I HN 0.673 nan 8.210 nan 0.000 0.540 189 K N 5.144 125.331 120.400 -0.356 0.000 2.238 189 K HA 0.625 4.909 4.320 -0.059 0.000 0.239 189 K C -0.712 175.515 176.600 -0.621 0.000 0.987 189 K CA -0.814 55.252 56.287 -0.368 0.000 0.857 189 K CB 2.003 34.402 32.500 -0.169 0.000 1.154 189 K HN 0.529 nan 8.250 nan 0.000 0.439 190 H N -0.922 118.147 119.070 -0.002 0.000 2.943 190 H HA 0.206 4.727 4.556 -0.059 0.000 0.323 190 H C 0.476 175.801 175.328 -0.004 0.000 1.296 190 H CA -0.351 55.697 56.048 -0.000 0.000 1.155 190 H CB 1.614 31.378 29.762 0.003 0.000 1.882 190 H HN 0.687 nan 8.280 nan 0.000 0.553 191 T N -2.858 111.780 114.554 0.140 0.000 3.001 191 T HA 0.125 4.440 4.350 -0.059 0.000 0.251 191 T C 0.223 174.956 174.700 0.055 0.000 1.040 191 T CA -0.259 61.881 62.100 0.067 0.000 0.985 191 T CB 0.089 68.983 68.868 0.044 0.000 1.011 191 T HN 0.443 nan 8.240 nan 0.000 0.509 192 E N 4.069 124.306 120.200 0.062 0.000 2.452 192 E HA 0.181 4.496 4.350 -0.059 0.000 0.261 192 E C -2.326 174.294 176.600 0.033 0.000 0.987 192 E CA -1.456 54.959 56.400 0.025 0.000 0.926 192 E CB 0.204 29.899 29.700 -0.009 0.000 0.934 192 E HN 0.385 nan 8.360 nan 0.000 0.452 193 P HA 0.014 nan 4.420 nan 0.000 0.276 193 P C -0.806 176.504 177.300 0.018 0.000 1.244 193 P CA -0.330 62.776 63.100 0.011 0.000 0.801 193 P CB 0.979 32.669 31.700 -0.016 0.000 1.006 194 V N 3.779 123.712 119.914 0.031 0.000 2.326 194 V HA 0.227 4.312 4.120 -0.059 0.000 0.281 194 V C -1.492 174.600 176.094 -0.004 0.000 1.015 194 V CA -2.582 59.753 62.300 0.058 0.000 0.823 194 V CB 1.249 33.168 31.823 0.161 0.000 1.009 194 V HN 0.441 nan 8.190 nan 0.000 0.436 195 P HA -0.124 nan 4.420 nan 0.000 0.218 195 P C 0.424 177.702 177.300 -0.036 0.000 1.148 195 P CA 0.749 63.822 63.100 -0.044 0.000 0.822 195 P CB 0.143 31.829 31.700 -0.023 0.000 0.784 196 D N 1.415 121.828 120.400 0.021 0.000 2.349 196 D HA 0.011 4.616 4.640 -0.059 0.000 0.266 196 D C -1.037 175.325 176.300 0.102 0.000 1.293 196 D CA -1.821 52.211 54.000 0.053 0.000 0.926 196 D CB 0.806 41.652 40.800 0.077 0.000 1.090 196 D HN 0.155 nan 8.370 nan 0.000 0.502 197 P HA -0.075 nan 4.420 nan 0.000 0.226 197 P C 0.546 177.957 177.300 0.185 0.000 1.153 197 P CA 0.539 63.683 63.100 0.073 0.000 0.777 197 P CB 0.454 32.156 31.700 0.002 0.000 0.794 198 R N -0.404 120.172 120.500 0.128 0.000 2.633 198 R HA 0.427 4.732 4.340 -0.059 0.000 0.348 198 R C 0.536 176.878 176.300 0.070 0.000 1.100 198 R CA -0.420 55.732 56.100 0.087 0.000 1.068 198 R CB 0.494 30.821 30.300 0.047 0.000 1.351 198 R HN 0.087 nan 8.270 nan 0.000 0.575 199 A N 0.624 123.513 122.820 0.116 0.000 2.406 199 A HA 0.313 4.598 4.320 -0.059 0.000 0.243 199 A C 0.436 178.010 177.584 -0.015 0.000 1.082 199 A CA -0.229 51.845 52.037 0.062 0.000 0.786 199 A CB 0.503 19.575 19.000 0.119 0.000 1.029 199 A HN 0.075 nan 8.150 nan 0.000 0.495 200 V N 1.767 121.671 119.914 -0.016 0.000 2.743 200 V HA 0.091 4.175 4.120 -0.059 0.000 0.301 200 V C 1.336 177.398 176.094 -0.053 0.000 1.057 200 V CA -0.142 62.130 62.300 -0.047 0.000 1.006 200 V CB 1.010 32.811 31.823 -0.036 0.000 1.024 200 V HN 1.051 nan 8.190 nan 0.000 0.473 201 N N 1.287 119.919 118.700 -0.113 0.000 2.132 201 N HA -0.252 4.453 4.740 -0.059 0.000 0.191 201 N C 1.450 176.971 175.510 0.018 0.000 1.015 201 N CA 1.467 54.435 53.050 -0.137 0.000 0.864 201 N CB -0.082 38.108 38.487 -0.495 0.000 1.006 201 N HN 0.732 nan 8.380 nan 0.000 0.430 202 Q N -0.044 119.747 119.800 -0.015 0.000 2.488 202 Q HA -0.049 4.255 4.340 -0.059 0.000 0.211 202 Q C 0.441 176.473 176.000 0.054 0.000 0.967 202 Q CA 0.630 56.448 55.803 0.026 0.000 0.926 202 Q CB 0.316 29.054 28.738 -0.001 0.000 0.992 202 Q HN 0.439 nan 8.270 nan 0.000 0.506 203 D N 0.401 120.835 120.400 0.056 0.000 2.423 203 D HA 0.023 4.627 4.640 -0.059 0.000 0.208 203 D C -0.072 176.285 176.300 0.096 0.000 1.068 203 D CA 0.267 54.308 54.000 0.068 0.000 0.860 203 D CB 0.404 41.237 40.800 0.055 0.000 0.992 203 D HN 0.125 nan 8.370 nan 0.000 0.504 204 K N 1.930 122.398 120.400 0.113 0.000 2.243 204 K HA 0.138 4.422 4.320 -0.059 0.000 0.232 204 K C 0.763 177.420 176.600 0.094 0.000 1.237 204 K CA 0.048 56.406 56.287 0.118 0.000 1.161 204 K CB 0.264 32.832 32.500 0.113 0.000 1.505 204 K HN -0.057 nan 8.250 nan 0.000 0.271 205 K N 1.268 121.725 120.400 0.095 0.000 2.589 205 K HA -0.079 4.206 4.320 -0.059 0.000 0.192 205 K C 0.704 177.327 176.600 0.039 0.000 1.029 205 K CA 0.557 56.888 56.287 0.073 0.000 1.031 205 K CB -0.078 32.512 32.500 0.151 0.000 0.821 205 K HN 0.421 nan 8.250 nan 0.000 0.502 206 N N -0.119 118.600 118.700 0.032 0.000 2.291 206 N HA 0.062 4.767 4.740 -0.059 0.000 0.244 206 N C -0.313 175.163 175.510 -0.058 0.000 1.216 206 N CA -0.125 52.932 53.050 0.012 0.000 0.879 206 N CB 0.463 38.983 38.487 0.056 0.000 1.167 206 N HN -0.114 nan 8.380 nan 0.000 0.515 207 M N 0.635 120.141 119.600 -0.157 0.000 2.644 207 M HA 0.511 4.956 4.480 -0.059 0.000 0.304 207 M C -1.104 174.868 176.300 -0.547 0.000 1.215 207 M CA -0.560 54.529 55.300 -0.352 0.000 0.871 207 M CB 2.400 34.720 32.600 -0.465 0.000 1.740 207 M HN -0.072 nan 8.290 nan 0.000 0.464 208 L N 1.797 122.666 121.223 -0.589 0.000 2.381 208 L HA 0.559 4.863 4.340 -0.059 0.000 0.274 208 L C -1.403 175.135 176.870 -0.553 0.000 0.988 208 L CA -0.462 54.096 54.840 -0.470 0.000 0.824 208 L CB 1.746 43.682 42.059 -0.205 0.000 1.263 208 L HN 0.468 nan 8.230 nan 0.000 0.410 209 F N 0.681 120.623 119.950 -0.013 0.000 2.404 209 F HA 0.318 4.809 4.527 -0.059 0.000 0.339 209 F C 1.003 176.797 175.800 -0.011 0.000 1.105 209 F CA -0.514 57.477 58.000 -0.015 0.000 1.087 209 F CB 1.757 40.744 39.000 -0.021 0.000 1.143 209 F HN 0.356 nan 8.300 nan 0.000 0.491 210 S N 1.713 117.513 115.700 0.166 0.000 2.546 210 S HA 0.384 4.819 4.470 -0.059 0.000 0.290 210 S C 1.050 175.704 174.600 0.091 0.000 1.290 210 S CA 0.827 59.082 58.200 0.091 0.000 1.069 210 S CB -0.075 63.166 63.200 0.068 0.000 0.846 210 S HN 1.226 nan 8.310 nan 0.000 0.495 211 G N 3.138 111.975 108.800 0.061 0.000 2.284 211 G HA2 -0.248 3.676 3.960 -0.059 0.000 0.216 211 G HA3 -0.248 3.676 3.960 -0.059 0.000 0.216 211 G C 0.378 175.308 174.900 0.049 0.000 1.009 211 G CA 0.411 45.540 45.100 0.048 0.000 0.625 211 G HN 1.451 nan 8.290 nan 0.000 0.501 212 T N -0.018 114.579 114.554 0.072 0.000 2.788 212 T HA 0.627 4.941 4.350 -0.059 0.000 0.280 212 T C 0.017 174.742 174.700 0.041 0.000 0.984 212 T CA 0.055 62.194 62.100 0.065 0.000 0.972 212 T CB 1.596 70.529 68.868 0.109 0.000 1.039 212 T HN 0.312 nan 8.240 nan 0.000 0.530 213 N N -0.212 118.507 118.700 0.032 0.000 2.328 213 N HA 0.483 5.187 4.740 -0.059 0.000 0.299 213 N C -1.210 174.310 175.510 0.017 0.000 1.179 213 N CA -0.791 52.272 53.050 0.021 0.000 0.793 213 N CB 1.285 39.783 38.487 0.018 0.000 1.366 213 N HN 0.485 nan 8.380 nan 0.000 0.493 214 I N 1.454 122.032 120.570 0.013 0.000 2.337 214 I HA 0.175 4.309 4.170 -0.059 0.000 0.291 214 I C 1.383 177.507 176.117 0.012 0.000 1.046 214 I CA -0.030 61.276 61.300 0.009 0.000 1.324 214 I CB 0.746 38.752 38.000 0.011 0.000 1.409 214 I HN 0.714 nan 8.210 nan 0.000 0.494 215 A N 5.143 127.967 122.820 0.006 0.000 2.021 215 A HA 0.659 4.943 4.320 -0.059 0.000 0.216 215 A C 0.981 178.569 177.584 0.006 0.000 1.163 215 A CA 1.149 53.189 52.037 0.005 0.000 0.676 215 A CB -0.046 18.953 19.000 -0.002 0.000 0.818 215 A HN 0.785 nan 8.150 nan 0.000 0.453 216 A N -3.347 119.477 122.820 0.008 0.000 2.586 216 A HA 0.633 4.917 4.320 -0.059 0.000 0.291 216 A C 0.388 177.986 177.584 0.023 0.000 1.062 216 A CA 0.132 52.179 52.037 0.015 0.000 0.666 216 A CB -0.288 18.714 19.000 0.003 0.000 1.281 216 A HN 2.124 nan 8.150 nan 0.000 0.421 217 G N -0.066 108.760 108.800 0.044 0.000 2.828 217 G HA2 0.224 4.148 3.960 -0.059 0.000 0.463 217 G HA3 0.224 4.148 3.960 -0.059 0.000 0.463 217 G C -0.391 174.540 174.900 0.051 0.000 1.394 217 G CA 0.260 45.392 45.100 0.054 0.000 0.862 217 G HN 1.388 nan 8.290 nan 0.000 0.540 218 K N -0.519 119.915 120.400 0.055 0.000 2.469 218 K HA 0.802 5.086 4.320 -0.059 0.000 0.254 218 K C -0.366 176.261 176.600 0.044 0.000 0.939 218 K CA -0.222 56.096 56.287 0.052 0.000 0.812 218 K CB 1.826 34.367 32.500 0.067 0.000 1.301 218 K HN 2.059 nan 8.250 nan 0.000 0.433 219 A N 3.016 125.859 122.820 0.039 0.000 2.604 219 A HA 0.583 4.867 4.320 -0.059 0.000 0.295 219 A C -2.142 175.466 177.584 0.039 0.000 1.067 219 A CA -0.774 51.282 52.037 0.032 0.000 0.683 219 A CB 1.371 20.377 19.000 0.010 0.000 1.281 219 A HN 0.671 nan 8.150 nan 0.000 0.407 220 L N 1.112 122.357 121.223 0.036 0.000 2.346 220 L HA 0.923 5.227 4.340 -0.059 0.000 0.274 220 L C 0.178 177.059 176.870 0.019 0.000 1.007 220 L CA 0.188 55.055 54.840 0.044 0.000 0.818 220 L CB 2.078 44.157 42.059 0.034 0.000 1.284 220 L HN 1.245 nan 8.230 nan 0.000 0.424 221 G N 4.032 112.844 108.800 0.021 0.000 2.649 221 G HA2 0.395 4.320 3.960 -0.059 0.000 0.290 221 G HA3 0.395 4.320 3.960 -0.059 0.000 0.290 221 G C -2.155 172.749 174.900 0.007 0.000 1.426 221 G CA -0.532 44.572 45.100 0.006 0.000 0.794 221 G HN 0.456 nan 8.290 nan 0.000 0.483 222 I N 1.264 121.838 120.570 0.006 0.000 2.377 222 I HA 0.473 4.608 4.170 -0.059 0.000 0.293 222 I C 0.057 176.159 176.117 -0.025 0.000 0.987 222 I CA -0.700 60.601 61.300 0.001 0.000 1.185 222 I CB 1.486 39.519 38.000 0.056 0.000 1.341 222 I HN 0.187 nan 8.210 nan 0.000 0.455 223 V N 8.836 128.699 119.914 -0.086 0.000 2.485 223 V HA 0.113 4.197 4.120 -0.059 0.000 0.287 223 V C 1.289 177.318 176.094 -0.108 0.000 1.022 223 V CA 0.470 62.704 62.300 -0.109 0.000 1.067 223 V CB 0.575 32.306 31.823 -0.153 0.000 0.967 223 V HN 0.969 nan 8.190 nan 0.000 0.479 224 A N 4.875 127.682 122.820 -0.022 0.000 1.871 224 A HA 0.241 4.525 4.320 -0.059 0.000 0.211 224 A C 1.079 178.675 177.584 0.020 0.000 1.207 224 A CA 1.220 53.293 52.037 0.061 0.000 0.620 224 A CB 0.081 19.112 19.000 0.052 0.000 0.860 224 A HN 0.855 nan 8.150 nan 0.000 0.450 225 T N -3.069 111.473 114.554 -0.020 0.000 2.894 225 T HA 0.577 4.891 4.350 -0.059 0.000 0.309 225 T C -0.407 174.271 174.700 -0.036 0.000 1.208 225 T CA 0.083 62.160 62.100 -0.038 0.000 1.016 225 T CB 1.593 70.471 68.868 0.016 0.000 1.192 225 T HN 0.730 nan 8.240 nan 0.000 0.491 226 T N -1.387 113.142 114.554 -0.041 0.000 2.645 226 T HA 0.834 5.148 4.350 -0.059 0.000 0.273 226 T C 1.170 175.886 174.700 0.027 0.000 0.960 226 T CA 0.198 62.292 62.100 -0.010 0.000 1.051 226 T CB 0.968 69.821 68.868 -0.025 0.000 1.366 226 T HN 2.103 nan 8.240 nan 0.000 0.536 227 G N 0.101 108.926 108.800 0.042 0.000 2.652 227 G HA2 -0.309 3.616 3.960 -0.059 0.000 0.318 227 G HA3 -0.309 3.616 3.960 -0.059 0.000 0.318 227 G C 1.020 175.950 174.900 0.050 0.000 1.295 227 G CA 1.253 46.387 45.100 0.057 0.000 0.999 227 G HN 1.613 nan 8.290 nan 0.000 0.548 228 V N 0.570 120.517 119.914 0.054 0.000 2.970 228 V HA -0.006 4.078 4.120 -0.059 0.000 0.260 228 V C 2.688 178.809 176.094 0.044 0.000 1.100 228 V CA 2.499 64.826 62.300 0.045 0.000 1.122 228 V CB -0.012 31.838 31.823 0.045 0.000 0.721 228 V HN 0.616 nan 8.190 nan 0.000 0.483 229 S N 0.280 116.011 115.700 0.052 0.000 2.603 229 S HA -0.027 4.408 4.470 -0.059 0.000 0.229 229 S C 1.151 175.778 174.600 0.046 0.000 0.972 229 S CA 0.699 58.930 58.200 0.051 0.000 0.935 229 S CB -0.531 62.706 63.200 0.063 0.000 0.769 229 S HN 0.843 nan 8.310 nan 0.000 0.536 230 T N 0.158 114.739 114.554 0.045 0.000 2.898 230 T HA 0.267 4.581 4.350 -0.059 0.000 0.301 230 T C 0.876 175.602 174.700 0.044 0.000 1.049 230 T CA -0.476 61.658 62.100 0.057 0.000 1.095 230 T CB 0.872 69.776 68.868 0.060 0.000 0.976 230 T HN -0.061 nan 8.240 nan 0.000 0.539 231 E N 0.529 120.765 120.200 0.060 0.000 2.219 231 E HA -0.112 4.202 4.350 -0.059 0.000 0.198 231 E C 1.391 177.957 176.600 -0.056 0.000 0.998 231 E CA 1.019 57.406 56.400 -0.023 0.000 0.818 231 E CB -0.283 29.355 29.700 -0.105 0.000 0.741 231 E HN 0.783 nan 8.360 nan 0.000 0.477 232 I N -1.903 118.659 120.570 -0.013 0.000 3.854 232 I HA 0.143 4.278 4.170 -0.059 0.000 0.312 232 I C 1.707 177.823 176.117 -0.002 0.000 1.273 232 I CA 0.604 61.893 61.300 -0.019 0.000 1.298 232 I CB 0.200 38.201 38.000 0.002 0.000 1.071 232 I HN 0.160 nan 8.210 nan 0.000 0.428 233 G N 0.629 109.436 108.800 0.012 0.000 2.650 233 G HA2 -0.116 3.808 3.960 -0.059 0.000 0.214 233 G HA3 -0.116 3.808 3.960 -0.059 0.000 0.214 233 G C 1.535 176.441 174.900 0.010 0.000 1.136 233 G CA 0.238 45.348 45.100 0.016 0.000 0.789 233 G HN 0.304 nan 8.290 nan 0.000 0.536 234 K N -0.101 120.300 120.400 0.001 0.000 2.168 234 K HA 0.186 4.471 4.320 -0.059 0.000 0.201 234 K C 1.510 178.104 176.600 -0.011 0.000 1.049 234 K CA 0.075 56.360 56.287 -0.003 0.000 0.974 234 K CB 0.163 32.659 32.500 -0.007 0.000 0.792 234 K HN 0.149 nan 8.250 nan 0.000 0.463 235 I N 3.389 123.946 120.570 -0.022 0.000 3.620 235 I HA -0.039 4.095 4.170 -0.059 0.000 0.305 235 I C 0.541 176.648 176.117 -0.016 0.000 1.243 235 I CA 0.346 61.630 61.300 -0.026 0.000 1.196 235 I CB -1.961 36.013 38.000 -0.043 0.000 1.004 235 I HN 0.172 nan 8.210 nan 0.000 0.487 236 R N 0.458 120.953 120.500 -0.008 0.000 2.905 236 R HA -0.049 4.255 4.340 -0.059 0.000 0.273 236 R C 1.006 177.304 176.300 -0.003 0.000 1.033 236 R CA -0.096 56.003 56.100 -0.003 0.000 1.182 236 R CB 0.220 30.522 30.300 0.003 0.000 1.097 236 R HN -0.079 nan 8.270 nan 0.000 0.504 237 D N -0.011 120.388 120.400 -0.001 0.000 2.190 237 D HA -0.238 4.367 4.640 -0.059 0.000 0.200 237 D C 1.830 178.131 176.300 0.002 0.000 0.992 237 D CA 1.504 55.504 54.000 -0.001 0.000 0.854 237 D CB 0.082 40.882 40.800 0.001 0.000 0.936 237 D HN 0.661 nan 8.370 nan 0.000 0.462 238 Q N -1.061 118.741 119.800 0.003 0.000 2.364 238 Q HA 0.014 4.319 4.340 -0.059 0.000 0.207 238 Q C 0.708 176.710 176.000 0.004 0.000 0.970 238 Q CA 1.043 56.849 55.803 0.005 0.000 0.888 238 Q CB 0.147 28.889 28.738 0.007 0.000 0.951 238 Q HN 0.285 nan 8.270 nan 0.000 0.469 239 M N -1.387 118.214 119.600 0.001 0.000 2.414 239 M HA 0.501 4.945 4.480 -0.059 0.000 0.393 239 M C -0.803 175.494 176.300 -0.006 0.000 1.055 239 M CA 0.043 55.342 55.300 -0.002 0.000 0.937 239 M CB 0.892 33.490 32.600 -0.002 0.000 1.631 239 M HN 0.018 nan 8.290 nan 0.000 0.567 240 A N 0.089 122.905 122.820 -0.006 0.000 2.577 240 A HA 0.864 5.149 4.320 -0.059 0.000 0.297 240 A C -0.304 177.276 177.584 -0.006 0.000 1.060 240 A CA -0.279 51.752 52.037 -0.009 0.000 0.697 240 A CB 0.687 19.678 19.000 -0.015 0.000 1.281 240 A HN 0.280 nan 8.150 nan 0.000 0.402 241 A N 0.891 123.707 122.820 -0.007 0.000 2.398 241 A HA 0.873 5.157 4.320 -0.059 0.000 0.264 241 A C 1.013 178.593 177.584 -0.008 0.000 1.564 241 A CA 0.956 52.990 52.037 -0.005 0.000 0.828 241 A CB -0.267 18.730 19.000 -0.005 0.000 1.444 241 A HN 2.294 nan 8.150 nan 0.000 0.565 242 T N -3.935 110.614 114.554 -0.009 0.000 2.611 242 T HA 0.641 4.955 4.350 -0.059 0.000 0.269 242 T C -0.731 173.962 174.700 -0.012 0.000 1.032 242 T CA -0.203 61.890 62.100 -0.011 0.000 1.178 242 T CB 1.081 69.943 68.868 -0.010 0.000 1.651 242 T HN 0.825 nan 8.240 nan 0.000 0.456 243 E N -0.038 120.155 120.200 -0.013 0.000 2.430 243 E HA 0.500 4.814 4.350 -0.059 0.000 0.279 243 E C -1.777 174.814 176.600 -0.015 0.000 1.003 243 E CA -0.718 55.674 56.400 -0.014 0.000 0.801 243 E CB 2.233 31.925 29.700 -0.014 0.000 1.313 243 E HN 0.830 nan 8.360 nan 0.000 0.459 244 Q N 1.650 121.440 119.800 -0.016 0.000 2.857 244 Q HA 0.658 4.962 4.340 -0.059 0.000 0.319 244 Q C -1.402 174.587 176.000 -0.018 0.000 0.963 244 Q CA -0.877 54.914 55.803 -0.019 0.000 0.770 244 Q CB 2.589 31.314 28.738 -0.022 0.000 1.492 244 Q HN 0.406 nan 8.270 nan 0.000 0.493 245 D N -0.650 119.738 120.400 -0.019 0.000 2.926 245 D HA 0.127 4.731 4.640 -0.059 0.000 0.272 245 D C -1.860 174.429 176.300 -0.018 0.000 1.172 245 D CA -0.404 53.586 54.000 -0.017 0.000 0.731 245 D CB 1.837 42.628 40.800 -0.015 0.000 1.282 245 D HN 0.623 nan 8.370 nan 0.000 0.430 246 K N -0.111 120.280 120.400 -0.015 0.000 2.159 246 K HA 0.572 4.856 4.320 -0.059 0.000 0.266 246 K C 0.298 176.891 176.600 -0.010 0.000 0.975 246 K CA -0.584 55.694 56.287 -0.014 0.000 0.865 246 K CB 1.450 33.944 32.500 -0.011 0.000 1.087 246 K HN 0.353 nan 8.250 nan 0.000 0.446 247 T N 0.246 114.793 114.554 -0.012 0.000 2.903 247 T HA 0.073 4.387 4.350 -0.059 0.000 0.314 247 T C -1.730 172.970 174.700 0.001 0.000 1.078 247 T CA -1.107 60.988 62.100 -0.008 0.000 1.114 247 T CB 0.582 69.443 68.868 -0.011 0.000 0.987 247 T HN 0.422 nan 8.240 nan 0.000 0.548 248 P HA -0.036 nan 4.420 nan 0.000 0.215 248 P C 1.707 179.022 177.300 0.024 0.000 1.153 248 P CA 0.347 63.453 63.100 0.009 0.000 0.853 248 P CB -0.052 31.649 31.700 0.000 0.000 0.788 249 L N -0.450 120.790 121.223 0.030 0.000 2.131 249 L HA -0.162 4.143 4.340 -0.059 0.000 0.210 249 L C 2.296 179.200 176.870 0.056 0.000 1.092 249 L CA 1.855 56.732 54.840 0.061 0.000 0.759 249 L CB -0.987 41.119 42.059 0.079 0.000 0.903 249 L HN -0.063 nan 8.230 nan 0.000 0.435 250 Q N -1.401 118.418 119.800 0.032 0.000 2.245 250 Q HA -0.165 4.140 4.340 -0.059 0.000 0.201 250 Q C 2.110 178.133 176.000 0.037 0.000 0.955 250 Q CA 1.005 56.824 55.803 0.027 0.000 0.870 250 Q CB 0.080 28.820 28.738 0.003 0.000 0.945 250 Q HN 0.651 nan 8.270 nan 0.000 0.461 251 Q N 0.018 119.838 119.800 0.033 0.000 2.167 251 Q HA -0.156 4.148 4.340 -0.059 0.000 0.202 251 Q C 1.728 177.760 176.000 0.054 0.000 0.970 251 Q CA 1.103 56.926 55.803 0.034 0.000 0.855 251 Q CB 0.021 28.773 28.738 0.023 0.000 0.911 251 Q HN 0.134 nan 8.270 nan 0.000 0.438 252 K N 0.694 121.134 120.400 0.066 0.000 2.305 252 K HA 0.005 4.289 4.320 -0.059 0.000 0.199 252 K C 1.673 178.356 176.600 0.137 0.000 1.047 252 K CA 0.294 56.634 56.287 0.088 0.000 0.976 252 K CB 0.285 32.831 32.500 0.078 0.000 0.765 252 K HN 0.150 nan 8.250 nan 0.000 0.474 253 L N 0.595 121.898 121.223 0.133 0.000 2.446 253 L HA -0.037 4.267 4.340 -0.059 0.000 0.219 253 L C 1.273 178.262 176.870 0.198 0.000 1.116 253 L CA 0.458 55.421 54.840 0.205 0.000 0.844 253 L CB -0.009 42.132 42.059 0.136 0.000 0.970 253 L HN 0.160 nan 8.230 nan 0.000 0.457 254 D N -0.312 120.157 120.400 0.113 0.000 2.240 254 D HA -0.146 4.458 4.640 -0.059 0.000 0.206 254 D C 1.977 178.317 176.300 0.066 0.000 0.963 254 D CA 0.569 54.608 54.000 0.066 0.000 0.863 254 D CB 0.282 41.104 40.800 0.036 0.000 0.973 254 D HN 0.279 nan 8.370 nan 0.000 0.501 255 E N 0.573 120.831 120.200 0.097 0.000 2.150 255 E HA -0.162 4.152 4.350 -0.059 0.000 0.193 255 E C 1.805 178.487 176.600 0.135 0.000 0.985 255 E CA 0.527 56.983 56.400 0.092 0.000 0.814 255 E CB -0.156 29.599 29.700 0.093 0.000 0.752 255 E HN 0.234 nan 8.360 nan 0.000 0.466 256 F N 0.924 120.892 119.950 0.031 0.000 2.335 256 F HA 0.225 4.723 4.527 -0.048 0.000 0.296 256 F C 1.978 177.801 175.800 0.039 0.000 1.091 256 F CA 1.435 59.459 58.000 0.040 0.000 1.399 256 F CB -0.532 38.501 39.000 0.055 0.000 1.067 256 F HN 0.009 nan 8.300 nan 0.000 0.520 257 G N 0.353 109.055 108.800 -0.163 0.000 2.433 257 G HA2 -0.241 3.683 3.960 -0.059 0.000 0.216 257 G HA3 -0.241 3.683 3.960 -0.059 0.000 0.216 257 G C 1.542 176.309 174.900 -0.221 0.000 1.186 257 G CA 0.900 45.840 45.100 -0.267 0.000 0.779 257 G HN 0.455 nan 8.290 nan 0.000 0.543 258 E N -0.107 120.028 120.200 -0.107 0.000 2.110 258 E HA -0.180 4.134 4.350 -0.059 0.000 0.193 258 E C 2.454 179.003 176.600 -0.086 0.000 0.988 258 E CA 0.899 57.254 56.400 -0.075 0.000 0.804 258 E CB -0.169 29.512 29.700 -0.031 0.000 0.745 258 E HN 0.579 nan 8.360 nan 0.000 0.458 259 Q N 0.739 120.487 119.800 -0.086 0.000 2.152 259 Q HA -0.195 4.110 4.340 -0.059 0.000 0.206 259 Q C 2.211 178.147 176.000 -0.106 0.000 0.985 259 Q CA 1.126 56.895 55.803 -0.057 0.000 0.863 259 Q CB 0.013 28.760 28.738 0.016 0.000 0.904 259 Q HN 0.315 nan 8.270 nan 0.000 0.422 260 L N -0.421 120.658 121.223 -0.241 0.000 2.072 260 L HA -0.133 4.172 4.340 -0.059 0.000 0.205 260 L C 2.660 179.449 176.870 -0.134 0.000 1.079 260 L CA 0.953 55.659 54.840 -0.224 0.000 0.752 260 L CB -0.467 41.354 42.059 -0.397 0.000 0.906 260 L HN 0.253 nan 8.230 nan 0.000 0.436 261 S N 0.168 115.790 115.700 -0.130 0.000 2.365 261 S HA -0.254 4.181 4.470 -0.059 0.000 0.225 261 S C 1.990 176.560 174.600 -0.050 0.000 1.039 261 S CA 1.682 59.834 58.200 -0.080 0.000 1.033 261 S CB -0.016 63.143 63.200 -0.068 0.000 0.887 261 S HN 0.323 nan 8.310 nan 0.000 0.447 262 K N 0.181 120.555 120.400 -0.043 0.000 2.002 262 K HA -0.061 4.223 4.320 -0.059 0.000 0.209 262 K C 2.116 178.708 176.600 -0.014 0.000 1.048 262 K CA 1.634 57.908 56.287 -0.021 0.000 0.930 262 K CB -0.607 31.885 32.500 -0.014 0.000 0.714 262 K HN 0.254 nan 8.250 nan 0.000 0.438 263 V N 2.140 122.044 119.914 -0.018 0.000 2.255 263 V HA -0.283 3.802 4.120 -0.059 0.000 0.247 263 V C 2.299 178.385 176.094 -0.014 0.000 1.051 263 V CA 1.591 63.886 62.300 -0.008 0.000 1.018 263 V CB -0.471 31.353 31.823 0.001 0.000 0.641 263 V HN 0.285 nan 8.190 nan 0.000 0.445 264 I N 0.137 120.690 120.570 -0.029 0.000 2.208 264 I HA -0.224 3.911 4.170 -0.059 0.000 0.245 264 I C 2.701 178.813 176.117 -0.009 0.000 1.097 264 I CA 2.074 63.356 61.300 -0.030 0.000 1.363 264 I CB -1.475 36.497 38.000 -0.046 0.000 1.051 264 I HN 0.384 nan 8.210 nan 0.000 0.413 265 S N 0.375 116.071 115.700 -0.007 0.000 2.399 265 S HA -0.088 4.346 4.470 -0.059 0.000 0.231 265 S C 2.035 176.655 174.600 0.033 0.000 1.022 265 S CA 0.957 59.162 58.200 0.009 0.000 0.983 265 S CB -0.016 63.185 63.200 0.001 0.000 0.803 265 S HN 0.342 nan 8.310 nan 0.000 0.480 266 L N 1.470 122.712 121.223 0.031 0.000 2.022 266 L HA 0.084 4.388 4.340 -0.059 0.000 0.204 266 L C 2.228 179.143 176.870 0.076 0.000 1.076 266 L CA 1.291 56.163 54.840 0.054 0.000 0.749 266 L CB -0.721 41.362 42.059 0.040 0.000 0.903 266 L HN 0.411 nan 8.230 nan 0.000 0.439 267 I N -3.284 117.304 120.570 0.031 0.000 3.102 267 I HA -0.225 3.909 4.170 -0.059 0.000 0.278 267 I C 1.944 178.123 176.117 0.104 0.000 1.316 267 I CA 0.465 61.765 61.300 -0.001 0.000 1.425 267 I CB -0.754 37.165 38.000 -0.135 0.000 1.073 267 I HN 0.277 nan 8.210 nan 0.000 0.503 268 C N -0.022 119.356 119.300 0.130 0.000 2.406 268 C HA 0.146 4.570 4.460 -0.059 0.000 0.343 268 C C 2.636 177.770 174.990 0.240 0.000 1.397 268 C CA 0.157 59.277 59.018 0.170 0.000 2.069 268 C CB 0.095 27.887 27.740 0.088 0.000 2.374 268 C HN 0.443 nan 8.230 nan 0.000 0.545 269 V N 1.789 121.825 119.914 0.204 0.000 2.913 269 V HA -0.106 3.978 4.120 -0.059 0.000 0.260 269 V C 2.495 178.801 176.094 0.353 0.000 1.098 269 V CA 1.846 64.302 62.300 0.260 0.000 1.121 269 V CB -1.157 30.762 31.823 0.160 0.000 0.714 269 V HN 0.591 nan 8.190 nan 0.000 0.487 270 A N 0.289 123.299 122.820 0.316 0.000 1.929 270 A HA -0.100 4.185 4.320 -0.059 0.000 0.216 270 A C 2.336 180.119 177.584 0.332 0.000 1.176 270 A CA 1.817 54.059 52.037 0.342 0.000 0.628 270 A CB -0.468 18.774 19.000 0.403 0.000 0.816 270 A HN 0.377 nan 8.150 nan 0.000 0.444 271 V N -2.353 117.796 119.914 0.391 0.000 2.343 271 V HA -0.253 3.831 4.120 -0.059 0.000 0.247 271 V C 2.210 178.432 176.094 0.214 0.000 1.051 271 V CA 1.659 64.079 62.300 0.199 0.000 1.036 271 V CB -1.253 30.757 31.823 0.311 0.000 0.654 271 V HN 0.840 nan 8.190 nan 0.000 0.451 272 W N 0.369 121.779 121.300 0.182 0.000 2.421 272 W HA -0.079 4.550 4.660 -0.051 0.000 0.270 272 W C 1.925 178.545 176.519 0.169 0.000 1.233 272 W CA 1.363 58.857 57.345 0.248 0.000 1.226 272 W CB -0.037 29.595 29.460 0.288 0.000 1.121 272 W HN 0.166 nan 8.180 nan 0.000 0.579 273 L N 0.415 121.742 121.223 0.172 0.000 2.200 273 L HA -0.026 4.279 4.340 -0.059 0.000 0.200 273 L C 2.247 178.996 176.870 -0.202 0.000 1.072 273 L CA 0.839 55.661 54.840 -0.030 0.000 0.787 273 L CB -0.958 41.190 42.059 0.148 0.000 0.957 273 L HN -0.056 nan 8.230 nan 0.000 0.459 274 I N -2.460 118.019 120.570 -0.152 0.000 3.434 274 I HA -0.078 4.057 4.170 -0.059 0.000 0.308 274 I C 0.301 176.200 176.117 -0.365 0.000 1.269 274 I CA 1.002 62.163 61.300 -0.232 0.000 1.265 274 I CB -0.564 37.272 38.000 -0.274 0.000 1.005 274 I HN 0.321 nan 8.210 nan 0.000 0.554 275 N N 1.391 119.773 118.700 -0.530 0.000 2.471 275 N HA 0.132 4.837 4.740 -0.059 0.000 0.270 275 N C 1.244 175.970 175.510 -1.307 0.000 1.490 275 N CA 0.015 52.540 53.050 -0.875 0.000 0.850 275 N CB 0.817 38.604 38.487 -1.166 0.000 1.411 275 N HN 0.379 nan 8.380 nan 0.000 0.488 276 I N -2.300 117.600 120.570 -1.116 0.000 2.716 276 I HA 0.173 4.308 4.170 -0.059 0.000 0.259 276 I C 1.653 177.136 176.117 -1.057 0.000 1.172 276 I CA 1.228 61.591 61.300 -1.561 0.000 1.478 276 I CB -1.347 36.219 38.000 -0.723 0.000 1.104 276 I HN -0.106 nan 8.210 nan 0.000 0.439 277 G N 0.177 108.643 108.800 -0.557 0.000 2.848 277 G HA2 -0.162 3.763 3.960 -0.059 0.000 0.208 277 G HA3 -0.162 3.763 3.960 -0.059 0.000 0.208 277 G C 0.990 175.719 174.900 -0.285 0.000 1.152 277 G CA 0.281 45.196 45.100 -0.309 0.000 0.789 277 G HN 0.526 nan 8.290 nan 0.000 0.531 278 H N -1.141 117.627 119.070 -0.503 0.000 2.622 278 H HA 0.252 4.774 4.556 -0.057 0.000 0.269 278 H C 1.488 176.818 175.328 0.004 0.000 0.977 278 H CA -0.547 55.376 56.048 -0.208 0.000 1.179 278 H CB 0.119 29.767 29.762 -0.190 0.000 1.458 278 H HN 0.266 nan 8.280 nan 0.000 0.531 279 F N 0.732 120.683 119.950 0.002 0.000 2.333 279 F HA -0.081 4.409 4.527 -0.062 0.000 0.300 279 F C 0.549 176.381 175.800 0.054 0.000 1.083 279 F CA 0.681 58.673 58.000 -0.014 0.000 1.395 279 F CB -0.334 38.684 39.000 0.030 0.000 1.056 279 F HN 0.123 nan 8.300 nan 0.000 0.529 280 N N 1.183 120.019 118.700 0.226 0.000 3.112 280 N HA 0.110 4.814 4.740 -0.059 0.000 0.270 280 N C -0.803 174.768 175.510 0.102 0.000 1.385 280 N CA 0.059 53.213 53.050 0.174 0.000 0.986 280 N CB 0.718 39.302 38.487 0.162 0.000 1.261 280 N HN 0.133 nan 8.380 nan 0.000 0.495 281 D N -0.007 120.494 120.400 0.167 0.000 2.523 281 D HA 0.285 4.890 4.640 -0.059 0.000 0.236 281 D C -1.518 174.870 176.300 0.147 0.000 1.094 281 D CA -1.401 52.677 54.000 0.130 0.000 0.942 281 D CB 3.427 44.339 40.800 0.186 0.000 1.447 281 D HN -0.017 nan 8.370 nan 0.000 0.479 282 P HA -0.092 nan 4.420 nan 0.000 0.218 282 P C 1.480 178.825 177.300 0.075 0.000 1.149 282 P CA 0.772 63.920 63.100 0.080 0.000 0.817 282 P CB 0.441 32.185 31.700 0.073 0.000 0.785 283 V N -0.336 119.628 119.914 0.085 0.000 2.568 283 V HA -0.220 3.865 4.120 -0.059 0.000 0.253 283 V C 2.155 178.122 176.094 -0.212 0.000 1.072 283 V CA 2.168 64.434 62.300 -0.057 0.000 1.084 283 V CB -1.629 30.150 31.823 -0.072 0.000 0.676 283 V HN 0.236 nan 8.190 nan 0.000 0.469 284 H N -1.265 117.825 119.070 0.033 0.000 2.430 284 H HA 0.395 4.914 4.556 -0.062 0.000 0.297 284 H C 2.088 177.432 175.328 0.025 0.000 1.016 284 H CA 0.830 56.893 56.048 0.026 0.000 1.294 284 H CB 0.180 29.994 29.762 0.087 0.000 1.465 284 H HN 0.358 nan 8.280 nan 0.000 0.547 285 G N 0.423 109.323 108.800 0.167 0.000 2.746 285 G HA2 -0.354 3.570 3.960 -0.059 0.000 0.236 285 G HA3 -0.354 3.570 3.960 -0.059 0.000 0.236 285 G C 1.147 176.081 174.900 0.056 0.000 1.172 285 G CA 0.611 45.761 45.100 0.083 0.000 0.736 285 G HN 0.775 nan 8.290 nan 0.000 0.519 286 G N 0.337 109.176 108.800 0.065 0.000 2.712 286 G HA2 0.475 4.399 3.960 -0.059 0.000 0.258 286 G HA3 0.475 4.399 3.960 -0.059 0.000 0.258 286 G C 0.745 175.605 174.900 -0.067 0.000 1.241 286 G CA 0.887 45.984 45.100 -0.005 0.000 0.923 286 G HN 1.121 nan 8.290 nan 0.000 0.548 287 S N -0.588 114.987 115.700 -0.209 0.000 2.589 287 S HA -0.029 4.405 4.470 -0.059 0.000 0.256 287 S C 1.175 175.593 174.600 -0.303 0.000 1.383 287 S CA 0.726 58.638 58.200 -0.479 0.000 0.983 287 S CB 0.192 62.949 63.200 -0.738 0.000 0.908 287 S HN 0.750 nan 8.310 nan 0.000 0.572 288 W N 0.022 121.346 121.300 0.040 0.000 2.611 288 W HA 0.103 4.726 4.660 -0.063 0.000 0.251 288 W C 1.484 177.951 176.519 -0.088 0.000 1.265 288 W CA -0.020 57.344 57.345 0.032 0.000 1.295 288 W CB -0.659 28.851 29.460 0.082 0.000 1.129 288 W HN 0.582 nan 8.180 nan 0.000 0.630 289 I N 1.137 121.649 120.570 -0.096 0.000 2.406 289 I HA -0.128 4.006 4.170 -0.059 0.000 0.249 289 I C 2.747 178.847 176.117 -0.028 0.000 1.122 289 I CA 1.339 62.629 61.300 -0.017 0.000 1.431 289 I CB -0.203 37.768 38.000 -0.048 0.000 1.087 289 I HN 0.098 nan 8.210 nan 0.000 0.424 290 R N 0.494 120.970 120.500 -0.040 0.000 2.127 290 R HA -0.026 4.278 4.340 -0.059 0.000 0.217 290 R C 2.125 178.448 176.300 0.039 0.000 1.074 290 R CA 1.185 57.308 56.100 0.038 0.000 0.991 290 R CB -0.303 30.025 30.300 0.047 0.000 0.895 290 R HN 0.446 nan 8.270 nan 0.000 0.450 291 G N -0.249 108.495 108.800 -0.092 0.000 2.464 291 G HA2 -0.124 3.801 3.960 -0.059 0.000 0.217 291 G HA3 -0.124 3.801 3.960 -0.059 0.000 0.217 291 G C 1.377 176.183 174.900 -0.157 0.000 1.138 291 G CA 0.532 45.412 45.100 -0.366 0.000 0.793 291 G HN 0.414 nan 8.290 nan 0.000 0.539 292 A N 1.166 123.702 122.820 -0.474 0.000 1.854 292 A HA 0.129 4.413 4.320 -0.059 0.000 0.214 292 A C 2.312 179.962 177.584 0.111 0.000 1.192 292 A CA 1.008 52.569 52.037 -0.794 0.000 0.611 292 A CB -0.408 18.166 19.000 -0.709 0.000 0.832 292 A HN 0.298 nan 8.150 nan 0.000 0.442 293 I N -1.419 119.241 120.570 0.149 0.000 2.236 293 I HA -0.349 3.785 4.170 -0.059 0.000 0.249 293 I C 2.463 178.834 176.117 0.424 0.000 1.102 293 I CA 2.153 63.641 61.300 0.313 0.000 1.365 293 I CB -0.470 37.664 38.000 0.223 0.000 1.051 293 I HN 0.602 nan 8.210 nan 0.000 0.420 294 Y N 1.000 121.464 120.300 0.273 0.000 2.070 294 Y HA -0.322 4.203 4.550 -0.042 0.000 0.279 294 Y C 2.441 178.486 175.900 0.241 0.000 1.134 294 Y CA 1.658 59.914 58.100 0.260 0.000 1.113 294 Y CB -0.829 37.879 38.460 0.414 0.000 0.981 294 Y HN 0.017 nan 8.280 nan 0.000 0.487 295 Y N -0.766 119.812 120.300 0.463 0.000 2.403 295 Y HA -0.240 4.274 4.550 -0.060 0.000 0.291 295 Y C 2.232 178.408 175.900 0.461 0.000 1.143 295 Y CA 1.647 59.978 58.100 0.384 0.000 1.257 295 Y CB -0.676 38.125 38.460 0.568 0.000 0.984 295 Y HN 0.375 nan 8.280 nan 0.000 0.550 296 F N 0.998 121.257 119.950 0.515 0.000 2.163 296 F HA -0.099 4.422 4.527 -0.010 0.000 0.297 296 F C 2.229 178.100 175.800 0.117 0.000 1.094 296 F CA 1.557 59.765 58.000 0.346 0.000 1.290 296 F CB -0.418 38.696 39.000 0.190 0.000 1.017 296 F HN -0.160 nan 8.300 nan 0.000 0.483 297 K N 0.547 120.845 120.400 -0.169 0.000 2.148 297 K HA -0.099 4.185 4.320 -0.059 0.000 0.204 297 K C 2.200 178.610 176.600 -0.316 0.000 1.050 297 K CA 1.531 57.608 56.287 -0.350 0.000 0.942 297 K CB -0.278 32.121 32.500 -0.168 0.000 0.724 297 K HN 0.408 nan 8.250 nan 0.000 0.446 298 I N 0.733 121.125 120.570 -0.297 0.000 2.315 298 I HA -0.230 3.905 4.170 -0.059 0.000 0.248 298 I C 2.323 178.383 176.117 -0.094 0.000 1.117 298 I CA 0.866 62.021 61.300 -0.241 0.000 1.404 298 I CB -0.257 37.566 38.000 -0.295 0.000 1.071 298 I HN 0.261 nan 8.210 nan 0.000 0.419 299 A N 0.641 123.443 122.820 -0.031 0.000 1.845 299 A HA -0.184 4.101 4.320 -0.059 0.000 0.215 299 A C 2.352 179.883 177.584 -0.089 0.000 1.195 299 A CA 1.978 54.029 52.037 0.023 0.000 0.616 299 A CB -1.087 17.980 19.000 0.110 0.000 0.832 299 A HN 0.216 nan 8.150 nan 0.000 0.443 300 V N 0.111 119.875 119.914 -0.250 0.000 2.324 300 V HA -0.303 3.781 4.120 -0.059 0.000 0.250 300 V C 3.026 179.033 176.094 -0.144 0.000 1.060 300 V CA 2.123 64.278 62.300 -0.241 0.000 1.042 300 V CB -1.469 30.116 31.823 -0.396 0.000 0.650 300 V HN 0.642 nan 8.190 nan 0.000 0.450 301 A N -0.252 122.482 122.820 -0.143 0.000 1.902 301 A HA -0.193 4.092 4.320 -0.059 0.000 0.217 301 A C 2.167 179.723 177.584 -0.047 0.000 1.181 301 A CA 2.099 54.085 52.037 -0.085 0.000 0.623 301 A CB -0.529 18.416 19.000 -0.092 0.000 0.818 301 A HN 0.465 nan 8.150 nan 0.000 0.443 302 L N -0.554 120.648 121.223 -0.034 0.000 2.156 302 L HA 0.047 4.352 4.340 -0.059 0.000 0.208 302 L C 2.618 179.478 176.870 -0.016 0.000 1.095 302 L CA 1.764 56.602 54.840 -0.003 0.000 0.770 302 L CB -0.744 41.341 42.059 0.044 0.000 0.914 302 L HN 0.353 nan 8.230 nan 0.000 0.439 303 A N -0.833 121.970 122.820 -0.028 0.000 1.834 303 A HA -0.181 4.104 4.320 -0.059 0.000 0.216 303 A C 2.228 179.789 177.584 -0.038 0.000 1.203 303 A CA 2.322 54.339 52.037 -0.033 0.000 0.621 303 A CB -1.281 17.693 19.000 -0.044 0.000 0.841 303 A HN 0.232 nan 8.150 nan 0.000 0.446 304 V N 0.089 119.978 119.914 -0.041 0.000 2.278 304 V HA -0.330 3.755 4.120 -0.059 0.000 0.251 304 V C 2.985 179.061 176.094 -0.030 0.000 1.062 304 V CA 2.265 64.546 62.300 -0.032 0.000 1.038 304 V CB -1.354 30.453 31.823 -0.028 0.000 0.646 304 V HN 0.653 nan 8.190 nan 0.000 0.447 305 A N -0.892 121.910 122.820 -0.030 0.000 2.178 305 A HA 0.097 4.381 4.320 -0.059 0.000 0.218 305 A C 2.207 179.758 177.584 -0.055 0.000 1.157 305 A CA 1.872 53.888 52.037 -0.035 0.000 0.689 305 A CB -0.397 18.588 19.000 -0.024 0.000 0.787 305 A HN 0.611 nan 8.150 nan 0.000 0.465 306 A N -0.649 122.140 122.820 -0.053 0.000 1.963 306 A HA 0.368 4.653 4.320 -0.059 0.000 0.207 306 A C 0.779 178.320 177.584 -0.071 0.000 1.243 306 A CA -0.112 51.883 52.037 -0.069 0.000 0.728 306 A CB -0.062 18.902 19.000 -0.060 0.000 0.895 306 A HN 0.283 nan 8.150 nan 0.000 0.467 307 I N 2.167 122.704 120.570 -0.055 0.000 2.821 307 I HA 0.023 4.158 4.170 -0.059 0.000 0.294 307 I C -2.160 173.937 176.117 -0.034 0.000 1.210 307 I CA -1.500 59.770 61.300 -0.049 0.000 1.430 307 I CB -0.149 37.831 38.000 -0.033 0.000 1.356 307 I HN 0.159 nan 8.210 nan 0.000 0.563 308 P HA 0.178 nan 4.420 nan 0.000 0.231 308 P C 0.152 177.510 177.300 0.096 0.000 1.811 308 P CA -0.324 62.797 63.100 0.035 0.000 1.051 308 P CB 0.198 31.938 31.700 0.066 0.000 1.951 309 E N 1.231 121.474 120.200 0.071 0.000 2.160 309 E HA -0.140 4.175 4.350 -0.059 0.000 0.195 309 E C 2.172 178.840 176.600 0.112 0.000 0.991 309 E CA 1.719 58.165 56.400 0.076 0.000 0.810 309 E CB -0.778 28.956 29.700 0.057 0.000 0.742 309 E HN 0.452 nan 8.360 nan 0.000 0.466 310 G N 0.078 109.003 108.800 0.209 0.000 2.985 310 G HA2 -0.022 3.902 3.960 -0.059 0.000 0.209 310 G HA3 -0.022 3.902 3.960 -0.059 0.000 0.209 310 G C 1.247 176.245 174.900 0.164 0.000 1.165 310 G CA -0.165 45.083 45.100 0.245 0.000 0.776 310 G HN 0.112 nan 8.290 nan 0.000 0.541 311 L N 1.368 122.707 121.223 0.195 0.000 2.005 311 L HA 0.126 4.430 4.340 -0.059 0.000 0.207 311 L C -0.195 176.599 176.870 -0.127 0.000 1.072 311 L CA 1.732 56.545 54.840 -0.045 0.000 0.744 311 L CB -0.672 41.490 42.059 0.172 0.000 0.895 311 L HN -0.001 nan 8.230 nan 0.000 0.433 312 P HA -0.129 nan 4.420 nan 0.000 0.221 312 P C 0.871 178.114 177.300 -0.095 0.000 1.145 312 P CA 1.723 64.788 63.100 -0.059 0.000 0.795 312 P CB -0.056 31.624 31.700 -0.033 0.000 0.775 313 A N -1.425 121.331 122.820 -0.107 0.000 1.993 313 A HA 0.044 4.328 4.320 -0.059 0.000 0.207 313 A C 2.119 179.615 177.584 -0.147 0.000 1.224 313 A CA 0.453 52.421 52.037 -0.114 0.000 0.749 313 A CB -1.177 17.771 19.000 -0.086 0.000 0.884 313 A HN 0.073 nan 8.150 nan 0.000 0.467 314 V N 0.112 119.883 119.914 -0.238 0.000 2.490 314 V HA -0.196 3.888 4.120 -0.059 0.000 0.250 314 V C 2.171 178.093 176.094 -0.287 0.000 1.061 314 V CA 2.288 64.395 62.300 -0.323 0.000 1.064 314 V CB -0.341 31.025 31.823 -0.761 0.000 0.670 314 V HN 0.534 nan 8.190 nan 0.000 0.461 315 I N 0.127 120.538 120.570 -0.265 0.000 2.202 315 I HA -0.171 3.963 4.170 -0.059 0.000 0.242 315 I C 2.433 178.466 176.117 -0.140 0.000 1.091 315 I CA 2.539 63.727 61.300 -0.186 0.000 1.368 315 I CB -0.677 37.241 38.000 -0.136 0.000 1.058 315 I HN 0.315 nan 8.210 nan 0.000 0.410 316 T N -0.144 114.335 114.554 -0.126 0.000 2.788 316 T HA -0.160 4.155 4.350 -0.059 0.000 0.268 316 T C 1.791 176.428 174.700 -0.105 0.000 1.044 316 T CA 2.051 64.090 62.100 -0.102 0.000 1.139 316 T CB -0.446 68.365 68.868 -0.095 0.000 0.867 316 T HN 0.414 nan 8.240 nan 0.000 0.454 317 T N 0.745 115.227 114.554 -0.120 0.000 2.857 317 T HA -0.074 4.240 4.350 -0.059 0.000 0.266 317 T C 2.299 176.874 174.700 -0.208 0.000 1.048 317 T CA 0.870 62.894 62.100 -0.128 0.000 1.139 317 T CB -0.517 68.301 68.868 -0.083 0.000 0.874 317 T HN 0.432 nan 8.240 nan 0.000 0.455 318 C N 0.804 119.973 119.300 -0.218 0.000 2.446 318 C HA 0.060 4.485 4.460 -0.059 0.000 0.277 318 C C 2.559 177.448 174.990 -0.168 0.000 1.275 318 C CA 0.145 59.024 59.018 -0.233 0.000 1.727 318 C CB -1.215 26.408 27.740 -0.194 0.000 2.010 318 C HN 0.390 nan 8.230 nan 0.000 0.486 319 L N 1.554 122.701 121.223 -0.126 0.000 1.976 319 L HA -0.101 4.204 4.340 -0.059 0.000 0.209 319 L C 2.792 179.607 176.870 -0.091 0.000 1.071 319 L CA 2.395 57.180 54.840 -0.093 0.000 0.746 319 L CB -1.421 40.593 42.059 -0.075 0.000 0.890 319 L HN 0.312 nan 8.230 nan 0.000 0.432 320 A N -1.011 121.755 122.820 -0.090 0.000 1.917 320 A HA -0.250 4.034 4.320 -0.059 0.000 0.219 320 A C 2.396 179.929 177.584 -0.085 0.000 1.182 320 A CA 2.041 54.034 52.037 -0.073 0.000 0.633 320 A CB -0.959 18.006 19.000 -0.058 0.000 0.819 320 A HN 0.423 nan 8.150 nan 0.000 0.448 321 L N -1.006 120.136 121.223 -0.134 0.000 2.083 321 L HA -0.145 4.159 4.340 -0.059 0.000 0.209 321 L C 2.674 179.471 176.870 -0.121 0.000 1.083 321 L CA 1.229 55.971 54.840 -0.163 0.000 0.752 321 L CB -0.647 41.226 42.059 -0.309 0.000 0.899 321 L HN 0.525 nan 8.230 nan 0.000 0.433 322 G N -1.424 107.309 108.800 -0.110 0.000 2.414 322 G HA2 -0.254 3.670 3.960 -0.059 0.000 0.215 322 G HA3 -0.254 3.670 3.960 -0.059 0.000 0.215 322 G C 1.455 176.317 174.900 -0.064 0.000 1.188 322 G CA 1.101 46.152 45.100 -0.082 0.000 0.783 322 G HN 0.260 nan 8.290 nan 0.000 0.537 323 T N 0.339 114.857 114.554 -0.060 0.000 2.653 323 T HA -0.210 4.104 4.350 -0.059 0.000 0.268 323 T C 2.394 177.068 174.700 -0.043 0.000 1.035 323 T CA 1.841 63.912 62.100 -0.048 0.000 1.154 323 T CB -0.157 68.685 68.868 -0.045 0.000 0.862 323 T HN 0.319 nan 8.240 nan 0.000 0.441 324 R N 0.595 121.069 120.500 -0.044 0.000 2.081 324 R HA 0.017 4.322 4.340 -0.059 0.000 0.235 324 R C 2.596 178.876 176.300 -0.033 0.000 1.131 324 R CA 1.272 57.352 56.100 -0.033 0.000 0.960 324 R CB -0.052 30.233 30.300 -0.025 0.000 0.856 324 R HN 0.299 nan 8.270 nan 0.000 0.436 325 R N -0.576 119.899 120.500 -0.041 0.000 2.096 325 R HA -0.084 4.221 4.340 -0.059 0.000 0.235 325 R C 2.077 178.356 176.300 -0.035 0.000 1.127 325 R CA 1.333 57.413 56.100 -0.035 0.000 0.968 325 R CB -0.184 30.091 30.300 -0.041 0.000 0.861 325 R HN 0.267 nan 8.270 nan 0.000 0.440 326 M N 0.043 119.618 119.600 -0.041 0.000 2.156 326 M HA -0.008 4.436 4.480 -0.059 0.000 0.264 326 M C 2.443 178.717 176.300 -0.042 0.000 1.067 326 M CA 1.303 56.578 55.300 -0.042 0.000 1.131 326 M CB -1.169 31.404 32.600 -0.044 0.000 1.368 326 M HN 0.109 nan 8.290 nan 0.000 0.416 327 A N 0.357 123.152 122.820 -0.041 0.000 1.883 327 A HA -0.217 4.068 4.320 -0.059 0.000 0.217 327 A C 2.306 179.858 177.584 -0.054 0.000 1.186 327 A CA 2.081 54.091 52.037 -0.045 0.000 0.624 327 A CB -0.805 18.172 19.000 -0.039 0.000 0.822 327 A HN 0.528 nan 8.150 nan 0.000 0.444 328 K N -0.136 120.238 120.400 -0.043 0.000 2.360 328 K HA -0.128 4.157 4.320 -0.059 0.000 0.201 328 K C 0.839 177.409 176.600 -0.049 0.000 1.046 328 K CA 1.425 57.686 56.287 -0.042 0.000 0.940 328 K CB -0.100 32.386 32.500 -0.023 0.000 0.748 328 K HN 0.430 nan 8.250 nan 0.000 0.465 329 K N 0.689 121.061 120.400 -0.047 0.000 2.440 329 K HA 0.096 4.381 4.320 -0.059 0.000 0.206 329 K C -0.500 176.069 176.600 -0.052 0.000 1.025 329 K CA -0.128 56.132 56.287 -0.045 0.000 1.135 329 K CB 0.456 32.935 32.500 -0.036 0.000 0.856 329 K HN 0.161 nan 8.250 nan 0.000 0.502 330 N N 0.646 119.303 118.700 -0.071 0.000 2.758 330 N HA -0.172 4.532 4.740 -0.059 0.000 0.248 330 N C -0.986 174.497 175.510 -0.045 0.000 1.076 330 N CA 1.012 54.016 53.050 -0.077 0.000 0.696 330 N CB -1.315 37.122 38.487 -0.085 0.000 0.979 330 N HN 0.354 nan 8.380 nan 0.000 0.550 331 A N 0.417 123.211 122.820 -0.043 0.000 2.332 331 A HA 0.632 4.917 4.320 -0.059 0.000 0.300 331 A C 0.190 177.756 177.584 -0.030 0.000 1.153 331 A CA -0.605 51.411 52.037 -0.034 0.000 0.764 331 A CB 1.045 20.020 19.000 -0.041 0.000 1.174 331 A HN 0.177 nan 8.150 nan 0.000 0.467 332 I N 3.706 124.264 120.570 -0.020 0.000 2.322 332 I HA 0.127 4.262 4.170 -0.059 0.000 0.292 332 I C -0.027 176.078 176.117 -0.020 0.000 1.060 332 I CA -0.124 61.166 61.300 -0.016 0.000 1.309 332 I CB 0.906 38.903 38.000 -0.005 0.000 1.415 332 I HN 0.284 nan 8.210 nan 0.000 0.492 333 V N 8.704 128.603 119.914 -0.024 0.000 2.339 333 V HA 0.208 4.293 4.120 -0.059 0.000 0.261 333 V C 1.486 177.566 176.094 -0.022 0.000 1.058 333 V CA -0.404 61.880 62.300 -0.027 0.000 0.897 333 V CB 0.309 32.112 31.823 -0.032 0.000 1.052 333 V HN 0.643 nan 8.190 nan 0.000 0.480 334 R N 2.196 122.684 120.500 -0.019 0.000 2.328 334 R HA 0.135 4.440 4.340 -0.059 0.000 0.200 334 R C 0.542 176.831 176.300 -0.019 0.000 0.983 334 R CA 0.258 56.348 56.100 -0.016 0.000 1.062 334 R CB 0.219 30.512 30.300 -0.012 0.000 0.956 334 R HN 0.545 nan 8.270 nan 0.000 0.479 335 S N -0.517 115.169 115.700 -0.022 0.000 2.584 335 S HA 0.179 4.614 4.470 -0.059 0.000 0.282 335 S C 0.617 175.201 174.600 -0.027 0.000 1.138 335 S CA -0.710 57.476 58.200 -0.024 0.000 0.987 335 S CB 0.554 63.741 63.200 -0.022 0.000 1.137 335 S HN 0.124 nan 8.310 nan 0.000 0.457 336 L N 4.364 125.569 121.223 -0.030 0.000 2.021 336 L HA -0.094 4.211 4.340 -0.059 0.000 0.215 336 L C -0.794 176.057 176.870 -0.032 0.000 1.074 336 L CA 1.750 56.570 54.840 -0.034 0.000 0.760 336 L CB -1.537 40.501 42.059 -0.036 0.000 0.889 336 L HN 0.491 nan 8.230 nan 0.000 0.433 337 P HA -0.196 nan 4.420 nan 0.000 0.216 337 P C 1.743 179.027 177.300 -0.026 0.000 1.154 337 P CA 1.746 64.832 63.100 -0.024 0.000 0.865 337 P CB -0.010 31.677 31.700 -0.021 0.000 0.789 338 S N -0.393 115.290 115.700 -0.029 0.000 2.412 338 S HA -0.237 4.198 4.470 -0.059 0.000 0.246 338 S C 1.958 176.537 174.600 -0.036 0.000 1.073 338 S CA 2.219 60.400 58.200 -0.032 0.000 1.186 338 S CB -1.718 61.462 63.200 -0.033 0.000 1.084 338 S HN -0.020 nan 8.310 nan 0.000 0.434 339 V N 2.248 122.140 119.914 -0.037 0.000 2.278 339 V HA -0.236 3.849 4.120 -0.059 0.000 0.251 339 V C 2.576 178.650 176.094 -0.032 0.000 1.062 339 V CA 2.231 64.508 62.300 -0.038 0.000 1.038 339 V CB -0.823 30.975 31.823 -0.041 0.000 0.646 339 V HN 0.473 nan 8.190 nan 0.000 0.447 340 E N 0.797 120.982 120.200 -0.025 0.000 2.017 340 E HA -0.224 4.090 4.350 -0.059 0.000 0.193 340 E C 2.292 178.872 176.600 -0.034 0.000 0.997 340 E CA 2.287 58.679 56.400 -0.015 0.000 0.804 340 E CB -0.507 29.193 29.700 0.000 0.000 0.757 340 E HN 0.625 nan 8.360 nan 0.000 0.448 341 T N 2.222 116.755 114.554 -0.036 0.000 2.721 341 T HA -0.176 4.138 4.350 -0.059 0.000 0.268 341 T C 1.971 176.642 174.700 -0.048 0.000 1.038 341 T CA 1.298 63.372 62.100 -0.043 0.000 1.145 341 T CB -0.296 68.551 68.868 -0.035 0.000 0.858 341 T HN 0.176 nan 8.240 nan 0.000 0.459 342 L N 0.539 121.735 121.223 -0.046 0.000 2.456 342 L HA 0.007 4.312 4.340 -0.059 0.000 0.224 342 L C 2.684 179.523 176.870 -0.051 0.000 1.148 342 L CA 0.682 55.492 54.840 -0.049 0.000 0.825 342 L CB -0.513 41.515 42.059 -0.053 0.000 0.937 342 L HN 0.374 nan 8.230 nan 0.000 0.450 343 G N -1.396 107.372 108.800 -0.053 0.000 2.408 343 G HA2 -0.185 3.740 3.960 -0.059 0.000 0.215 343 G HA3 -0.185 3.740 3.960 -0.059 0.000 0.215 343 G C 1.291 176.147 174.900 -0.074 0.000 1.156 343 G CA 0.569 45.636 45.100 -0.056 0.000 0.793 343 G HN 0.461 nan 8.290 nan 0.000 0.535 344 C N 1.674 120.920 119.300 -0.090 0.000 2.573 344 C HA 0.248 4.672 4.460 -0.059 0.000 0.273 344 C C 1.262 176.217 174.990 -0.060 0.000 1.346 344 C CA -0.852 58.109 59.018 -0.095 0.000 1.702 344 C CB -1.509 26.163 27.740 -0.112 0.000 1.751 344 C HN 0.200 nan 8.230 nan 0.000 0.583 345 T N 2.091 116.616 114.554 -0.049 0.000 2.867 345 T HA 0.128 4.443 4.350 -0.059 0.000 0.297 345 T C 1.255 175.940 174.700 -0.025 0.000 0.989 345 T CA 0.630 62.710 62.100 -0.033 0.000 1.159 345 T CB 0.740 69.587 68.868 -0.035 0.000 0.928 345 T HN 0.707 nan 8.240 nan 0.000 0.538 346 S N 2.244 117.936 115.700 -0.014 0.000 2.545 346 S HA 0.228 4.663 4.470 -0.059 0.000 0.232 346 S C 0.495 175.097 174.600 0.005 0.000 1.070 346 S CA -0.301 57.895 58.200 -0.006 0.000 0.923 346 S CB 0.354 63.552 63.200 -0.003 0.000 0.806 346 S HN 0.422 nan 8.310 nan 0.000 0.506 347 V N 2.188 122.109 119.914 0.012 0.000 2.656 347 V HA 0.554 4.639 4.120 -0.059 0.000 0.307 347 V C -0.945 175.162 176.094 0.023 0.000 1.051 347 V CA -0.785 61.530 62.300 0.024 0.000 0.893 347 V CB 1.682 33.528 31.823 0.038 0.000 0.999 347 V HN 0.386 nan 8.190 nan 0.000 0.426 348 I N 3.240 123.829 120.570 0.033 0.000 2.420 348 I HA 0.334 4.469 4.170 -0.059 0.000 0.282 348 I C -0.517 175.637 176.117 0.063 0.000 1.019 348 I CA -0.160 61.163 61.300 0.038 0.000 1.130 348 I CB 1.419 39.443 38.000 0.041 0.000 1.262 348 I HN 0.545 nan 8.210 nan 0.000 0.454 349 C N 4.276 123.606 119.300 0.050 0.000 2.373 349 C HA 0.429 4.853 4.460 -0.059 0.000 0.354 349 C C 0.876 175.910 174.990 0.074 0.000 1.249 349 C CA -0.151 58.899 59.018 0.053 0.000 1.784 349 C CB 0.004 27.756 27.740 0.020 0.000 2.408 349 C HN 0.763 nan 8.230 nan 0.000 0.542 350 S N 1.770 117.526 115.700 0.095 0.000 2.513 350 S HA 0.400 4.834 4.470 -0.059 0.000 0.299 350 S C -0.803 173.842 174.600 0.075 0.000 1.087 350 S CA -0.508 57.765 58.200 0.122 0.000 1.012 350 S CB 1.053 64.383 63.200 0.217 0.000 1.044 350 S HN 0.829 nan 8.310 nan 0.000 0.485 351 D N 2.397 122.841 120.400 0.074 0.000 2.362 351 D HA 0.246 4.851 4.640 -0.059 0.000 0.242 351 D C 0.950 177.267 176.300 0.028 0.000 1.132 351 D CA -0.020 54.012 54.000 0.052 0.000 0.907 351 D CB 0.896 41.730 40.800 0.056 0.000 1.195 351 D HN 0.544 nan 8.370 nan 0.000 0.429 352 K N 0.958 121.371 120.400 0.021 0.000 2.035 352 K HA 0.027 4.311 4.320 -0.059 0.000 0.213 352 K C 0.013 176.613 176.600 -0.001 0.000 1.027 352 K CA 0.310 56.594 56.287 -0.004 0.000 0.950 352 K CB -0.348 32.157 32.500 0.009 0.000 0.790 352 K HN 0.494 nan 8.250 nan 0.000 0.448 353 T N 0.956 115.521 114.554 0.018 0.000 2.736 353 T HA 0.175 4.490 4.350 -0.059 0.000 0.275 353 T C 0.721 175.438 174.700 0.028 0.000 0.962 353 T CA 0.725 62.838 62.100 0.022 0.000 1.214 353 T CB 0.132 69.019 68.868 0.032 0.000 0.904 353 T HN 0.727 nan 8.240 nan 0.000 0.529 354 G N 3.483 112.297 108.800 0.023 0.000 2.279 354 G HA2 -0.316 3.609 3.960 -0.059 0.000 0.223 354 G HA3 -0.316 3.609 3.960 -0.059 0.000 0.223 354 G C 0.991 175.915 174.900 0.040 0.000 1.015 354 G CA 0.373 45.494 45.100 0.035 0.000 0.621 354 G HN 0.668 nan 8.290 nan 0.000 0.506 355 T N 0.758 115.333 114.554 0.035 0.000 3.031 355 T HA 0.313 4.627 4.350 -0.059 0.000 0.236 355 T C 2.330 177.015 174.700 -0.024 0.000 1.005 355 T CA 1.052 63.188 62.100 0.061 0.000 1.230 355 T CB -0.244 68.679 68.868 0.092 0.000 0.913 355 T HN 0.159 nan 8.240 nan 0.000 0.419 356 L N 1.768 122.921 121.223 -0.117 0.000 2.291 356 L HA 0.104 4.408 4.340 -0.059 0.000 0.214 356 L C 1.583 178.347 176.870 -0.176 0.000 1.120 356 L CA 0.587 55.255 54.840 -0.286 0.000 0.799 356 L CB -0.580 41.315 42.059 -0.274 0.000 0.925 356 L HN 0.451 nan 8.230 nan 0.000 0.446 357 T N -5.468 109.036 114.554 -0.085 0.000 2.919 357 T HA 0.222 4.536 4.350 -0.059 0.000 0.282 357 T C 1.053 175.741 174.700 -0.021 0.000 1.020 357 T CA 0.024 62.093 62.100 -0.052 0.000 0.994 357 T CB 1.543 70.392 68.868 -0.032 0.000 1.180 357 T HN 0.104 nan 8.240 nan 0.000 0.566 358 T N -1.820 112.727 114.554 -0.013 0.000 3.067 358 T HA 0.133 4.448 4.350 -0.059 0.000 0.257 358 T C 1.041 175.753 174.700 0.020 0.000 1.105 358 T CA 0.673 62.776 62.100 0.004 0.000 1.104 358 T CB -0.898 67.967 68.868 -0.005 0.000 0.925 358 T HN 0.934 nan 8.240 nan 0.000 0.498 359 N N 1.204 119.915 118.700 0.020 0.000 2.735 359 N HA -0.181 4.524 4.740 -0.059 0.000 0.248 359 N C -0.983 174.569 175.510 0.069 0.000 1.083 359 N CA 0.203 53.279 53.050 0.043 0.000 0.703 359 N CB -0.743 37.776 38.487 0.052 0.000 1.005 359 N HN 0.680 nan 8.380 nan 0.000 0.550 360 Q N 1.018 120.830 119.800 0.021 0.000 2.560 360 Q HA 0.268 4.572 4.340 -0.059 0.000 0.238 360 Q C -0.024 175.920 176.000 -0.093 0.000 1.079 360 Q CA -0.436 55.348 55.803 -0.032 0.000 0.866 360 Q CB 0.928 29.609 28.738 -0.096 0.000 1.153 360 Q HN 0.257 nan 8.270 nan 0.000 0.530 361 M N 1.466 121.069 119.600 0.004 0.000 2.240 361 M HA 0.254 4.699 4.480 -0.059 0.000 0.333 361 M C 0.290 176.536 176.300 -0.090 0.000 1.110 361 M CA 0.178 55.481 55.300 0.004 0.000 1.173 361 M CB 0.690 33.353 32.600 0.105 0.000 1.458 361 M HN 0.485 nan 8.290 nan 0.000 0.458 362 S N 0.087 115.747 115.700 -0.067 0.000 2.550 362 S HA 0.386 4.821 4.470 -0.059 0.000 0.274 362 S C -0.979 173.582 174.600 -0.064 0.000 1.110 362 S CA -1.082 57.067 58.200 -0.085 0.000 1.013 362 S CB 0.230 63.344 63.200 -0.145 0.000 1.152 362 S HN 0.365 nan 8.310 nan 0.000 0.450 363 V N 3.272 123.158 119.914 -0.046 0.000 2.434 363 V HA 0.070 4.154 4.120 -0.059 0.000 0.281 363 V C 1.630 177.671 176.094 -0.089 0.000 1.005 363 V CA 0.235 62.499 62.300 -0.060 0.000 1.089 363 V CB -0.345 31.449 31.823 -0.048 0.000 0.978 363 V HN 1.242 nan 8.190 nan 0.000 0.474 364 C N 3.292 122.516 119.300 -0.127 0.000 3.183 364 C HA 0.512 4.937 4.460 -0.059 0.000 0.285 364 C C 0.416 175.274 174.990 -0.220 0.000 1.313 364 C CA -0.636 58.293 59.018 -0.150 0.000 1.711 364 C CB -0.752 26.899 27.740 -0.149 0.000 2.135 364 C HN 0.691 nan 8.230 nan 0.000 0.651 365 K N 1.315 121.540 120.400 -0.291 0.000 2.551 365 K HA 0.710 4.995 4.320 -0.059 0.000 0.269 365 K C -1.052 175.410 176.600 -0.230 0.000 0.949 365 K CA -0.002 55.997 56.287 -0.480 0.000 0.849 365 K CB 2.268 34.011 32.500 -1.261 0.000 1.411 365 K HN 0.671 nan 8.250 nan 0.000 0.432 366 M N 0.229 119.902 119.600 0.122 0.000 2.605 366 M HA 0.661 5.105 4.480 -0.059 0.000 0.281 366 M C -1.470 175.237 176.300 0.679 0.000 1.166 366 M CA -1.063 54.484 55.300 0.412 0.000 0.875 366 M CB 1.891 34.579 32.600 0.146 0.000 1.732 366 M HN 0.447 nan 8.290 nan 0.000 0.504 367 F N 0.960 121.166 119.950 0.427 0.000 2.668 367 F HA 0.965 5.456 4.527 -0.059 0.000 0.309 367 F C -1.649 174.263 175.800 0.187 0.000 1.117 367 F CA -1.100 57.074 58.000 0.290 0.000 0.951 367 F CB 1.377 40.484 39.000 0.178 0.000 1.323 367 F HN 0.890 nan 8.300 nan 0.000 0.451 368 I N -0.118 120.721 120.570 0.448 0.000 3.174 368 I HA 0.586 4.721 4.170 -0.059 0.000 0.313 368 I C -1.158 175.177 176.117 0.363 0.000 1.155 368 I CA -1.401 60.070 61.300 0.285 0.000 0.977 368 I CB 2.149 40.229 38.000 0.134 0.000 1.248 368 I HN 0.518 nan 8.210 nan 0.000 0.453 369 I N 2.419 123.171 120.570 0.305 0.000 2.588 369 I HA 0.075 4.210 4.170 -0.059 0.000 0.283 369 I C 0.550 176.761 176.117 0.156 0.000 1.119 369 I CA 0.611 62.046 61.300 0.225 0.000 1.419 369 I CB 0.674 38.802 38.000 0.214 0.000 1.394 369 I HN 0.817 nan 8.210 nan 0.000 0.562 370 D N 4.966 125.426 120.400 0.099 0.000 2.584 370 D HA 0.064 4.669 4.640 -0.059 0.000 0.254 370 D C 0.419 176.775 176.300 0.092 0.000 1.085 370 D CA 1.011 55.075 54.000 0.107 0.000 0.971 370 D CB 0.673 41.519 40.800 0.078 0.000 1.103 370 D HN 0.512 nan 8.370 nan 0.000 0.453 371 K N -0.305 120.122 120.400 0.044 0.000 2.469 371 K HA 0.547 4.831 4.320 -0.059 0.000 0.254 371 K C -1.836 174.750 176.600 -0.023 0.000 0.939 371 K CA -0.746 55.574 56.287 0.054 0.000 0.812 371 K CB 2.495 35.075 32.500 0.134 0.000 1.301 371 K HN -0.145 nan 8.250 nan 0.000 0.433 372 V N 3.634 123.561 119.914 0.021 0.000 2.340 372 V HA 0.170 4.254 4.120 -0.059 0.000 0.277 372 V C -0.885 175.241 176.094 0.053 0.000 1.017 372 V CA -0.665 61.631 62.300 -0.006 0.000 0.820 372 V CB 1.181 33.014 31.823 0.018 0.000 1.028 372 V HN 0.773 nan 8.190 nan 0.000 0.436 373 D N 3.787 124.247 120.400 0.100 0.000 2.622 373 D HA 0.401 5.005 4.640 -0.059 0.000 0.262 373 D C 1.187 177.562 176.300 0.125 0.000 1.189 373 D CA 0.958 55.050 54.000 0.155 0.000 0.985 373 D CB 1.047 42.008 40.800 0.268 0.000 0.994 373 D HN 0.659 nan 8.370 nan 0.000 0.513 374 G N 3.764 112.608 108.800 0.073 0.000 3.024 374 G HA2 -0.402 3.523 3.960 -0.059 0.000 0.339 374 G HA3 -0.402 3.523 3.960 -0.059 0.000 0.339 374 G C 0.943 175.871 174.900 0.047 0.000 1.200 374 G CA 0.548 45.681 45.100 0.055 0.000 0.968 374 G HN 0.520 nan 8.290 nan 0.000 0.593 375 D N 0.101 120.543 120.400 0.071 0.000 2.333 375 D HA 0.160 4.764 4.640 -0.059 0.000 0.208 375 D C 0.395 176.759 176.300 0.107 0.000 0.984 375 D CA 0.101 54.141 54.000 0.066 0.000 0.873 375 D CB 0.147 40.986 40.800 0.064 0.000 0.935 375 D HN 0.152 nan 8.370 nan 0.000 0.521 376 F N 1.167 121.110 119.950 -0.010 0.000 2.443 376 F HA 0.396 4.888 4.527 -0.059 0.000 0.335 376 F C -0.846 174.946 175.800 -0.012 0.000 1.104 376 F CA -1.268 56.723 58.000 -0.015 0.000 1.013 376 F CB 1.297 40.291 39.000 -0.011 0.000 1.136 376 F HN -0.168 nan 8.300 nan 0.000 0.470 377 C N 6.136 124.789 119.300 -1.077 0.000 2.551 377 C HA 0.795 5.220 4.460 -0.059 0.000 0.332 377 C C -0.988 173.447 174.990 -0.926 0.000 1.139 377 C CA -0.095 58.438 59.018 -0.809 0.000 1.328 377 C CB 0.127 27.645 27.740 -0.370 0.000 1.903 377 C HN 1.039 nan 8.230 nan 0.000 0.459 378 S N 6.086 121.383 115.700 -0.672 0.000 2.568 378 S HA 0.889 5.324 4.470 -0.059 0.000 0.302 378 S C -0.969 173.524 174.600 -0.178 0.000 1.082 378 S CA -0.693 57.289 58.200 -0.363 0.000 1.009 378 S CB 1.294 64.415 63.200 -0.131 0.000 1.069 378 S HN 0.826 nan 8.310 nan 0.000 0.500 379 L N 1.259 122.388 121.223 -0.157 0.000 2.303 379 L HA 0.552 4.856 4.340 -0.059 0.000 0.266 379 L C -0.125 176.706 176.870 -0.066 0.000 1.011 379 L CA -0.872 53.907 54.840 -0.102 0.000 0.818 379 L CB 1.646 43.521 42.059 -0.307 0.000 1.326 379 L HN 0.759 nan 8.230 nan 0.000 0.435 380 N N 0.739 119.439 118.700 0.000 0.000 2.816 380 N HA 0.198 4.902 4.740 -0.059 0.000 0.236 380 N C -1.084 174.260 175.510 -0.276 0.000 1.076 380 N CA -0.338 52.609 53.050 -0.172 0.000 0.902 380 N CB 0.848 39.272 38.487 -0.104 0.000 1.149 380 N HN 0.538 nan 8.380 nan 0.000 0.506 381 E N 1.357 121.387 120.200 -0.283 0.000 2.373 381 E HA 0.289 4.604 4.350 -0.059 0.000 0.263 381 E C -0.770 175.498 176.600 -0.553 0.000 1.073 381 E CA 0.240 56.584 56.400 -0.094 0.000 0.894 381 E CB 1.144 30.890 29.700 0.076 0.000 1.008 381 E HN 0.277 nan 8.360 nan 0.000 0.420 382 F N -0.386 119.622 119.950 0.096 0.000 2.664 382 F HA 0.403 4.895 4.527 -0.059 0.000 0.317 382 F C -0.038 175.743 175.800 -0.032 0.000 1.108 382 F CA -0.753 57.243 58.000 -0.006 0.000 0.957 382 F CB 2.208 41.173 39.000 -0.059 0.000 1.365 382 F HN 0.200 nan 8.300 nan 0.000 0.475 383 S N 1.912 117.698 115.700 0.144 0.000 2.541 383 S HA 0.768 5.202 4.470 -0.059 0.000 0.280 383 S C -1.411 173.200 174.600 0.018 0.000 1.112 383 S CA -0.604 57.604 58.200 0.013 0.000 0.925 383 S CB 1.573 64.761 63.200 -0.021 0.000 1.067 383 S HN 0.313 nan 8.310 nan 0.000 0.479 384 I N 2.325 122.874 120.570 -0.035 0.000 2.603 384 I HA 0.561 4.695 4.170 -0.059 0.000 0.300 384 I C 0.407 176.492 176.117 -0.052 0.000 1.017 384 I CA -0.769 60.507 61.300 -0.039 0.000 1.098 384 I CB 1.326 39.292 38.000 -0.056 0.000 1.279 384 I HN 0.677 nan 8.210 nan 0.000 0.437 385 T N -0.562 113.965 114.554 -0.045 0.000 2.940 385 T HA 0.825 5.140 4.350 -0.059 0.000 0.288 385 T C 0.133 174.801 174.700 -0.053 0.000 1.033 385 T CA -0.622 61.450 62.100 -0.047 0.000 1.033 385 T CB 1.862 70.710 68.868 -0.033 0.000 1.079 385 T HN 1.470 nan 8.240 nan 0.000 0.496 386 G N 0.646 109.413 108.800 -0.056 0.000 3.380 386 G HA2 -0.021 3.904 3.960 -0.059 0.000 0.685 386 G HA3 -0.021 3.904 3.960 -0.059 0.000 0.685 386 G C 0.230 175.081 174.900 -0.083 0.000 1.136 386 G CA -0.233 44.831 45.100 -0.061 0.000 1.011 386 G HN 0.779 nan 8.290 nan 0.000 0.471 387 S N 0.149 115.796 115.700 -0.088 0.000 2.496 387 S HA 0.118 4.552 4.470 -0.059 0.000 0.224 387 S C 1.973 176.461 174.600 -0.186 0.000 0.996 387 S CA 1.414 59.542 58.200 -0.120 0.000 0.927 387 S CB 0.038 63.178 63.200 -0.099 0.000 0.774 387 S HN 1.482 nan 8.310 nan 0.000 0.524 388 T N -1.373 113.082 114.554 -0.165 0.000 2.891 388 T HA 0.319 4.634 4.350 -0.059 0.000 0.294 388 T C 0.443 174.986 174.700 -0.261 0.000 1.065 388 T CA -0.403 61.558 62.100 -0.231 0.000 0.936 388 T CB 0.059 68.880 68.868 -0.079 0.000 1.415 388 T HN 0.088 nan 8.240 nan 0.000 0.572 389 Y N 0.179 120.485 120.300 0.011 0.000 2.466 389 Y HA 0.544 5.059 4.550 -0.059 0.000 0.272 389 Y C 1.733 177.580 175.900 -0.089 0.000 1.169 389 Y CA -0.588 57.505 58.100 -0.011 0.000 1.285 389 Y CB -0.876 37.605 38.460 0.036 0.000 1.078 389 Y HN 0.800 nan 8.280 nan 0.000 0.523 390 A N 2.592 125.419 122.820 0.012 0.000 2.531 390 A HA 0.120 4.404 4.320 -0.059 0.000 0.236 390 A C -1.675 175.715 177.584 -0.323 0.000 1.062 390 A CA -0.894 50.968 52.037 -0.292 0.000 0.760 390 A CB -0.201 18.785 19.000 -0.023 0.000 0.995 390 A HN 0.119 nan 8.150 nan 0.000 0.501 391 P HA 0.137 nan 4.420 nan 0.000 0.235 391 P C -0.734 176.458 177.300 -0.179 0.000 1.725 391 P CA 0.363 63.295 63.100 -0.280 0.000 0.894 391 P CB -0.289 31.232 31.700 -0.298 0.000 1.704 392 E N 0.327 120.443 120.200 -0.139 0.000 2.207 392 E HA 0.640 4.955 4.350 -0.059 0.000 0.250 392 E C 0.180 176.746 176.600 -0.057 0.000 0.890 392 E CA -0.605 55.749 56.400 -0.076 0.000 0.749 392 E CB 1.528 31.201 29.700 -0.044 0.000 1.193 392 E HN 0.220 nan 8.360 nan 0.000 0.423 393 G N 2.398 111.167 108.800 -0.051 0.000 2.451 393 G HA2 0.360 4.285 3.960 -0.059 0.000 0.292 393 G HA3 0.360 4.285 3.960 -0.059 0.000 0.292 393 G C -1.521 173.357 174.900 -0.037 0.000 1.427 393 G CA -0.850 44.224 45.100 -0.043 0.000 0.792 393 G HN 0.330 nan 8.290 nan 0.000 0.498 394 E N -0.849 119.335 120.200 -0.027 0.000 2.256 394 E HA 0.591 4.906 4.350 -0.059 0.000 0.267 394 E C -0.851 175.743 176.600 -0.009 0.000 0.892 394 E CA -1.018 55.372 56.400 -0.016 0.000 0.775 394 E CB 3.066 32.765 29.700 -0.002 0.000 1.207 394 E HN 0.292 nan 8.360 nan 0.000 0.420 395 V N 3.248 123.160 119.914 -0.003 0.000 2.383 395 V HA 0.269 4.353 4.120 -0.059 0.000 0.275 395 V C -0.340 175.811 176.094 0.095 0.000 1.036 395 V CA -0.535 61.775 62.300 0.016 0.000 0.889 395 V CB 0.069 31.857 31.823 -0.059 0.000 0.985 395 V HN 0.469 nan 8.190 nan 0.000 0.459 396 L N 4.557 125.859 121.223 0.131 0.000 2.329 396 L HA 0.700 5.004 4.340 -0.059 0.000 0.279 396 L C -0.277 176.712 176.870 0.199 0.000 1.014 396 L CA -0.845 54.079 54.840 0.141 0.000 0.814 396 L CB 1.741 43.840 42.059 0.068 0.000 1.257 396 L HN 0.438 nan 8.230 nan 0.000 0.424 397 K N 2.485 122.989 120.400 0.174 0.000 2.358 397 K HA 0.342 4.627 4.320 -0.059 0.000 0.260 397 K C -0.380 176.237 176.600 0.028 0.000 0.956 397 K CA -0.388 55.931 56.287 0.053 0.000 0.834 397 K CB 0.617 33.214 32.500 0.162 0.000 1.102 397 K HN 0.556 nan 8.250 nan 0.000 0.431 398 N N 4.407 123.092 118.700 -0.025 0.000 2.714 398 N HA -0.222 4.482 4.740 -0.059 0.000 0.253 398 N C -1.165 174.353 175.510 0.013 0.000 1.024 398 N CA 0.920 53.966 53.050 -0.006 0.000 0.726 398 N CB -1.019 37.470 38.487 0.004 0.000 0.908 398 N HN 0.917 nan 8.380 nan 0.000 0.542 399 D N -1.945 118.463 120.400 0.013 0.000 3.070 399 D HA -0.240 4.365 4.640 -0.059 0.000 0.220 399 D C -0.011 176.305 176.300 0.028 0.000 1.176 399 D CA 1.546 55.556 54.000 0.017 0.000 0.924 399 D CB -0.264 40.541 40.800 0.008 0.000 1.124 399 D HN 0.608 nan 8.370 nan 0.000 0.411 400 K N 0.045 120.472 120.400 0.045 0.000 2.426 400 K HA 0.435 4.719 4.320 -0.059 0.000 0.254 400 K C -2.795 173.851 176.600 0.077 0.000 0.936 400 K CA -2.349 53.969 56.287 0.052 0.000 0.801 400 K CB 1.799 34.329 32.500 0.050 0.000 1.139 400 K HN -0.283 nan 8.250 nan 0.000 0.424 401 P HA -0.055 nan 4.420 nan 0.000 0.264 401 P C -1.008 176.349 177.300 0.094 0.000 1.183 401 P CA 0.196 63.337 63.100 0.069 0.000 0.763 401 P CB 0.285 32.010 31.700 0.041 0.000 0.807 402 I N -0.327 120.314 120.570 0.120 0.000 2.994 402 I HA 0.567 4.702 4.170 -0.059 0.000 0.306 402 I C -0.779 175.402 176.117 0.107 0.000 1.195 402 I CA -1.349 60.042 61.300 0.152 0.000 1.001 402 I CB 1.726 39.912 38.000 0.311 0.000 1.244 402 I HN -0.070 nan 8.210 nan 0.000 0.437 403 R N 2.977 123.527 120.500 0.084 0.000 2.248 403 R HA 0.326 4.630 4.340 -0.059 0.000 0.337 403 R C 0.662 176.996 176.300 0.057 0.000 1.085 403 R CA -0.152 55.968 56.100 0.034 0.000 0.934 403 R CB 0.345 30.647 30.300 0.003 0.000 1.034 403 R HN 0.896 nan 8.270 nan 0.000 0.465 404 S N 2.316 118.011 115.700 -0.008 0.000 2.365 404 S HA -0.173 4.261 4.470 -0.059 0.000 0.225 404 S C 1.979 176.570 174.600 -0.014 0.000 1.039 404 S CA 1.762 59.923 58.200 -0.063 0.000 1.033 404 S CB -0.169 62.911 63.200 -0.200 0.000 0.887 404 S HN 0.866 nan 8.310 nan 0.000 0.447 405 G N 1.066 109.820 108.800 -0.077 0.000 2.516 405 G HA2 -0.293 3.632 3.960 -0.059 0.000 0.221 405 G HA3 -0.293 3.632 3.960 -0.059 0.000 0.221 405 G C 1.197 176.067 174.900 -0.050 0.000 1.107 405 G CA 0.899 45.940 45.100 -0.099 0.000 0.747 405 G HN 0.551 nan 8.290 nan 0.000 0.567 406 Q N -0.701 119.072 119.800 -0.044 0.000 2.124 406 Q HA -0.030 4.275 4.340 -0.059 0.000 0.202 406 Q C 0.027 175.885 176.000 -0.235 0.000 0.977 406 Q CA 0.444 56.143 55.803 -0.174 0.000 0.850 406 Q CB -0.080 28.477 28.738 -0.300 0.000 0.901 406 Q HN 0.438 nan 8.270 nan 0.000 0.429 407 F N 1.166 121.099 119.950 -0.028 0.000 2.411 407 F HA 0.119 4.611 4.527 -0.059 0.000 0.350 407 F C 1.041 176.816 175.800 -0.041 0.000 1.114 407 F CA -0.815 57.184 58.000 -0.001 0.000 1.135 407 F CB 1.000 40.021 39.000 0.035 0.000 1.120 407 F HN -0.050 nan 8.300 nan 0.000 0.495 408 D N 2.662 123.151 120.400 0.148 0.000 2.097 408 D HA -0.117 4.487 4.640 -0.059 0.000 0.197 408 D C 2.334 178.665 176.300 0.051 0.000 0.984 408 D CA 1.503 55.545 54.000 0.070 0.000 0.826 408 D CB -0.423 40.414 40.800 0.063 0.000 0.973 408 D HN 0.802 nan 8.370 nan 0.000 0.460 409 G N 1.045 109.901 108.800 0.093 0.000 2.469 409 G HA2 -0.226 3.698 3.960 -0.059 0.000 0.220 409 G HA3 -0.226 3.698 3.960 -0.059 0.000 0.220 409 G C 1.766 176.644 174.900 -0.036 0.000 1.136 409 G CA 0.294 45.417 45.100 0.037 0.000 0.759 409 G HN 0.256 nan 8.290 nan 0.000 0.562 410 L N 0.259 121.460 121.223 -0.036 0.000 2.217 410 L HA -0.036 4.268 4.340 -0.059 0.000 0.211 410 L C 2.914 179.671 176.870 -0.188 0.000 1.107 410 L CA 0.218 54.959 54.840 -0.165 0.000 0.783 410 L CB -0.196 41.697 42.059 -0.278 0.000 0.919 410 L HN 0.123 nan 8.230 nan 0.000 0.442 411 V N -0.165 119.654 119.914 -0.158 0.000 2.358 411 V HA -0.276 3.808 4.120 -0.059 0.000 0.246 411 V C 2.387 178.347 176.094 -0.224 0.000 1.047 411 V CA 1.885 64.036 62.300 -0.248 0.000 1.035 411 V CB -0.365 31.331 31.823 -0.212 0.000 0.658 411 V HN 0.475 nan 8.190 nan 0.000 0.452 412 E N 0.080 120.188 120.200 -0.154 0.000 2.031 412 E HA -0.221 4.093 4.350 -0.059 0.000 0.193 412 E C 2.296 178.758 176.600 -0.230 0.000 0.994 412 E CA 1.206 57.504 56.400 -0.169 0.000 0.800 412 E CB -0.214 29.426 29.700 -0.099 0.000 0.752 412 E HN 0.356 nan 8.360 nan 0.000 0.447 413 L N 0.935 122.036 121.223 -0.203 0.000 2.064 413 L HA -0.233 4.071 4.340 -0.059 0.000 0.216 413 L C 2.225 178.960 176.870 -0.225 0.000 1.077 413 L CA 2.540 57.251 54.840 -0.214 0.000 0.766 413 L CB -1.361 40.579 42.059 -0.199 0.000 0.890 413 L HN 0.290 nan 8.230 nan 0.000 0.435 414 A N -1.682 120.996 122.820 -0.236 0.000 1.970 414 A HA -0.109 4.176 4.320 -0.059 0.000 0.216 414 A C 2.150 179.588 177.584 -0.242 0.000 1.170 414 A CA 1.552 53.452 52.037 -0.228 0.000 0.645 414 A CB -0.731 18.121 19.000 -0.246 0.000 0.816 414 A HN 0.507 nan 8.150 nan 0.000 0.447 415 T N 0.877 115.255 114.554 -0.292 0.000 2.652 415 T HA -0.158 4.156 4.350 -0.059 0.000 0.267 415 T C 1.809 176.211 174.700 -0.497 0.000 1.039 415 T CA 1.695 63.578 62.100 -0.361 0.000 1.153 415 T CB -0.472 68.134 68.868 -0.436 0.000 0.863 415 T HN 0.441 nan 8.240 nan 0.000 0.428 416 I N 0.844 121.084 120.570 -0.550 0.000 2.127 416 I HA -0.228 3.906 4.170 -0.059 0.000 0.241 416 I C 2.783 178.771 176.117 -0.216 0.000 1.075 416 I CA 1.071 62.113 61.300 -0.431 0.000 1.334 416 I CB -0.745 37.098 38.000 -0.262 0.000 1.040 416 I HN 0.333 nan 8.210 nan 0.000 0.405 417 C N 0.912 120.103 119.300 -0.182 0.000 2.403 417 C HA -0.179 4.245 4.460 -0.059 0.000 0.277 417 C C 3.167 178.098 174.990 -0.100 0.000 1.248 417 C CA 1.117 60.063 59.018 -0.121 0.000 1.762 417 C CB -1.303 26.366 27.740 -0.117 0.000 2.014 417 C HN 0.633 nan 8.230 nan 0.000 0.486 418 A N -0.417 122.331 122.820 -0.121 0.000 1.930 418 A HA 0.082 4.367 4.320 -0.059 0.000 0.215 418 A C 2.094 179.646 177.584 -0.053 0.000 1.176 418 A CA 1.040 53.030 52.037 -0.078 0.000 0.632 418 A CB -0.366 18.590 19.000 -0.073 0.000 0.819 418 A HN 0.580 nan 8.150 nan 0.000 0.445 419 L N -1.339 119.836 121.223 -0.080 0.000 2.102 419 L HA -0.039 4.266 4.340 -0.059 0.000 0.202 419 L C 1.754 178.654 176.870 0.051 0.000 1.076 419 L CA 0.612 55.450 54.840 -0.002 0.000 0.761 419 L CB -0.301 41.770 42.059 0.020 0.000 0.921 419 L HN 0.470 nan 8.230 nan 0.000 0.444 420 C N 2.247 121.575 119.300 0.047 0.000 3.089 420 C HA 0.267 4.692 4.460 -0.059 0.000 0.548 420 C C 0.285 175.294 174.990 0.033 0.000 1.205 420 C CA -0.491 58.570 59.018 0.071 0.000 1.398 420 C CB -2.326 25.473 27.740 0.099 0.000 1.764 420 C HN 0.361 nan 8.230 nan 0.000 0.638 421 N N 0.979 119.694 118.700 0.026 0.000 2.454 421 N HA 0.232 4.937 4.740 -0.059 0.000 0.291 421 N C -0.401 175.123 175.510 0.023 0.000 1.079 421 N CA -0.160 52.896 53.050 0.010 0.000 0.893 421 N CB 1.551 40.029 38.487 -0.014 0.000 1.512 421 N HN 0.276 nan 8.380 nan 0.000 0.497 422 D N 0.409 120.825 120.400 0.027 0.000 2.339 422 D HA 0.234 4.839 4.640 -0.059 0.000 0.217 422 D C -0.169 176.143 176.300 0.020 0.000 1.050 422 D CA 0.656 54.679 54.000 0.038 0.000 0.856 422 D CB 0.565 41.399 40.800 0.056 0.000 0.922 422 D HN 0.376 nan 8.370 nan 0.000 0.518 423 S N -1.232 114.466 115.700 -0.004 0.000 2.767 423 S HA 0.769 5.204 4.470 -0.059 0.000 0.300 423 S C -0.066 174.515 174.600 -0.032 0.000 1.123 423 S CA -0.723 57.460 58.200 -0.028 0.000 0.992 423 S CB 1.815 64.981 63.200 -0.058 0.000 1.138 423 S HN 0.206 nan 8.310 nan 0.000 0.550 424 S N -0.466 115.202 115.700 -0.055 0.000 2.790 424 S HA 0.794 5.228 4.470 -0.059 0.000 0.292 424 S C -1.902 172.657 174.600 -0.069 0.000 1.197 424 S CA -0.696 57.477 58.200 -0.045 0.000 0.851 424 S CB 0.786 63.970 63.200 -0.027 0.000 1.217 424 S HN 0.439 nan 8.310 nan 0.000 0.526 425 L N 1.100 122.307 121.223 -0.028 0.000 2.401 425 L HA 0.822 5.126 4.340 -0.059 0.000 0.266 425 L C -1.783 175.122 176.870 0.060 0.000 0.991 425 L CA -0.013 54.830 54.840 0.005 0.000 0.818 425 L CB 1.955 44.045 42.059 0.052 0.000 1.321 425 L HN 1.008 nan 8.230 nan 0.000 0.413 426 D N 2.108 122.551 120.400 0.072 0.000 2.896 426 D HA 0.310 4.915 4.640 -0.059 0.000 0.241 426 D C -1.585 174.764 176.300 0.082 0.000 1.188 426 D CA -0.275 53.764 54.000 0.066 0.000 0.879 426 D CB 1.215 42.002 40.800 -0.021 0.000 1.553 426 D HN 0.270 nan 8.370 nan 0.000 0.515 427 F N 3.913 123.811 119.950 -0.087 0.000 2.420 427 F HA 0.366 4.858 4.527 -0.059 0.000 0.352 427 F C 0.068 175.750 175.800 -0.197 0.000 1.108 427 F CA -0.628 57.199 58.000 -0.288 0.000 1.162 427 F CB 0.766 39.478 39.000 -0.479 0.000 1.118 427 F HN 0.271 nan 8.300 nan 0.000 0.510 428 N N 5.819 123.962 118.700 -0.929 0.000 2.469 428 N HA 0.048 4.752 4.740 -0.059 0.000 0.239 428 N C 0.688 175.720 175.510 -0.796 0.000 1.053 428 N CA 0.099 52.776 53.050 -0.621 0.000 0.937 428 N CB 0.588 38.817 38.487 -0.430 0.000 1.163 428 N HN 0.811 nan 8.380 nan 0.000 0.509 429 E N 1.420 121.435 120.200 -0.307 0.000 2.085 429 E HA -0.173 4.141 4.350 -0.059 0.000 0.194 429 E C 1.047 177.592 176.600 -0.091 0.000 0.994 429 E CA 1.614 57.997 56.400 -0.028 0.000 0.801 429 E CB 0.160 29.912 29.700 0.087 0.000 0.743 429 E HN 0.618 nan 8.360 nan 0.000 0.453 430 T N 1.652 116.134 114.554 -0.121 0.000 2.569 430 T HA -0.175 4.139 4.350 -0.059 0.000 0.263 430 T C 1.720 176.353 174.700 -0.112 0.000 1.074 430 T CA 1.396 63.441 62.100 -0.092 0.000 1.176 430 T CB -0.203 68.612 68.868 -0.088 0.000 0.863 430 T HN 0.120 nan 8.240 nan 0.000 0.410 431 K N 0.737 121.037 120.400 -0.167 0.000 2.439 431 K HA 0.168 4.452 4.320 -0.059 0.000 0.197 431 K C 1.266 177.759 176.600 -0.178 0.000 1.041 431 K CA 0.433 56.629 56.287 -0.152 0.000 0.970 431 K CB -0.159 32.247 32.500 -0.157 0.000 0.773 431 K HN 0.495 nan 8.250 nan 0.000 0.479 432 G N 2.064 110.688 108.800 -0.293 0.000 2.333 432 G HA2 -0.224 3.701 3.960 -0.059 0.000 0.296 432 G HA3 -0.224 3.701 3.960 -0.059 0.000 0.296 432 G C -0.408 174.326 174.900 -0.275 0.000 1.059 432 G CA 0.468 45.432 45.100 -0.227 0.000 1.050 432 G HN 0.265 nan 8.290 nan 0.000 0.508 433 V N -0.402 119.073 119.914 -0.732 0.000 3.167 433 V HA 0.680 4.765 4.120 -0.059 0.000 0.293 433 V C -0.969 174.831 176.094 -0.491 0.000 1.379 433 V CA -1.730 60.374 62.300 -0.327 0.000 1.019 433 V CB 1.409 33.183 31.823 -0.082 0.000 1.115 433 V HN 0.551 nan 8.190 nan 0.000 0.442 434 Y N 3.418 123.734 120.300 0.026 0.000 2.393 434 Y HA 0.529 5.043 4.550 -0.059 0.000 0.338 434 Y C 0.794 176.732 175.900 0.063 0.000 1.029 434 Y CA 0.070 58.231 58.100 0.102 0.000 1.239 434 Y CB 0.577 39.176 38.460 0.231 0.000 1.170 434 Y HN 0.590 nan 8.280 nan 0.000 0.515 435 E N 3.228 123.482 120.200 0.090 0.000 2.202 435 E HA 0.308 4.623 4.350 -0.059 0.000 0.272 435 E C -0.659 175.912 176.600 -0.049 0.000 0.951 435 E CA -1.299 55.125 56.400 0.040 0.000 0.813 435 E CB 1.547 31.224 29.700 -0.039 0.000 1.151 435 E HN 0.526 nan 8.360 nan 0.000 0.398 436 K N -0.306 119.974 120.400 -0.200 0.000 2.107 436 K HA 0.452 4.736 4.320 -0.059 0.000 0.251 436 K C -0.656 175.833 176.600 -0.184 0.000 1.012 436 K CA -0.629 55.443 56.287 -0.360 0.000 0.920 436 K CB 0.837 32.926 32.500 -0.685 0.000 1.033 436 K HN 0.152 nan 8.250 nan 0.000 0.478 437 V N 1.500 121.316 119.914 -0.163 0.000 2.439 437 V HA 0.538 4.622 4.120 -0.059 0.000 0.277 437 V C 0.146 176.184 176.094 -0.093 0.000 1.008 437 V CA 0.270 62.507 62.300 -0.106 0.000 0.846 437 V CB 0.203 31.970 31.823 -0.093 0.000 1.031 437 V HN 1.196 nan 8.190 nan 0.000 0.441 438 G N 4.300 113.055 108.800 -0.075 0.000 2.342 438 G HA2 -0.041 3.884 3.960 -0.059 0.000 0.220 438 G HA3 -0.041 3.884 3.960 -0.059 0.000 0.220 438 G C -0.938 173.929 174.900 -0.055 0.000 1.243 438 G CA -0.836 44.234 45.100 -0.050 0.000 1.083 438 G HN 0.452 nan 8.290 nan 0.000 0.500 439 E N 0.760 120.936 120.200 -0.039 0.000 2.316 439 E HA 0.505 4.820 4.350 -0.059 0.000 0.275 439 E C 1.490 178.061 176.600 -0.048 0.000 1.029 439 E CA 0.357 56.739 56.400 -0.029 0.000 0.871 439 E CB 1.279 30.968 29.700 -0.019 0.000 1.022 439 E HN 1.009 nan 8.360 nan 0.000 0.418 440 A N 3.580 126.392 122.820 -0.013 0.000 1.892 440 A HA -0.222 4.062 4.320 -0.059 0.000 0.218 440 A C 2.160 179.784 177.584 0.067 0.000 1.188 440 A CA 2.292 54.357 52.037 0.048 0.000 0.631 440 A CB -0.650 18.445 19.000 0.158 0.000 0.822 440 A HN 0.631 nan 8.150 nan 0.000 0.447 441 T N -0.233 114.338 114.554 0.028 0.000 2.699 441 T HA -0.175 4.139 4.350 -0.059 0.000 0.268 441 T C 1.805 176.498 174.700 -0.012 0.000 1.036 441 T CA 1.780 63.884 62.100 0.007 0.000 1.147 441 T CB -0.275 68.568 68.868 -0.041 0.000 0.862 441 T HN 0.651 nan 8.240 nan 0.000 0.446 442 E N 0.226 120.402 120.200 -0.039 0.000 2.072 442 E HA -0.082 4.232 4.350 -0.059 0.000 0.190 442 E C 2.493 179.068 176.600 -0.042 0.000 0.982 442 E CA 1.245 57.617 56.400 -0.046 0.000 0.803 442 E CB -0.190 29.480 29.700 -0.051 0.000 0.755 442 E HN 0.374 nan 8.360 nan 0.000 0.453 443 T N 1.108 115.619 114.554 -0.071 0.000 2.803 443 T HA -0.173 4.142 4.350 -0.059 0.000 0.269 443 T C 1.937 176.639 174.700 0.003 0.000 1.052 443 T CA 1.094 63.118 62.100 -0.126 0.000 1.136 443 T CB -0.199 68.436 68.868 -0.388 0.000 0.864 443 T HN 0.236 nan 8.240 nan 0.000 0.467 444 A N 1.238 124.126 122.820 0.113 0.000 1.908 444 A HA -0.056 4.229 4.320 -0.059 0.000 0.218 444 A C 2.122 179.738 177.584 0.054 0.000 1.181 444 A CA 1.306 53.442 52.037 0.165 0.000 0.627 444 A CB -0.723 18.349 19.000 0.120 0.000 0.818 444 A HN 0.373 nan 8.150 nan 0.000 0.445 445 L N -0.483 120.745 121.223 0.009 0.000 2.141 445 L HA -0.086 4.219 4.340 -0.059 0.000 0.209 445 L C 2.674 179.524 176.870 -0.033 0.000 1.094 445 L CA 2.184 57.008 54.840 -0.027 0.000 0.763 445 L CB -1.165 40.869 42.059 -0.041 0.000 0.908 445 L HN 0.349 nan 8.230 nan 0.000 0.437 446 T N -1.254 113.285 114.554 -0.025 0.000 2.701 446 T HA -0.180 4.135 4.350 -0.059 0.000 0.263 446 T C 1.902 176.586 174.700 -0.027 0.000 1.040 446 T CA 1.951 64.032 62.100 -0.031 0.000 1.147 446 T CB -0.384 68.462 68.868 -0.037 0.000 0.865 446 T HN 0.585 nan 8.240 nan 0.000 0.426 447 T N 1.421 115.975 114.554 0.001 0.000 2.788 447 T HA -0.081 4.233 4.350 -0.059 0.000 0.268 447 T C 1.964 176.639 174.700 -0.042 0.000 1.044 447 T CA 1.084 63.176 62.100 -0.013 0.000 1.139 447 T CB -0.707 68.188 68.868 0.046 0.000 0.867 447 T HN 0.174 nan 8.240 nan 0.000 0.454 448 L N 2.516 123.717 121.223 -0.037 0.000 1.971 448 L HA -0.064 4.241 4.340 -0.059 0.000 0.215 448 L C 2.805 179.624 176.870 -0.084 0.000 1.072 448 L CA 2.409 57.211 54.840 -0.063 0.000 0.758 448 L CB -1.054 40.966 42.059 -0.064 0.000 0.889 448 L HN 0.342 nan 8.230 nan 0.000 0.433 449 V N -2.352 117.510 119.914 -0.086 0.000 2.568 449 V HA -0.190 3.895 4.120 -0.059 0.000 0.253 449 V C 2.336 178.377 176.094 -0.087 0.000 1.072 449 V CA 1.839 64.078 62.300 -0.101 0.000 1.084 449 V CB -0.860 30.905 31.823 -0.097 0.000 0.676 449 V HN 0.562 nan 8.190 nan 0.000 0.469 450 E N 1.016 121.172 120.200 -0.073 0.000 2.072 450 E HA -0.158 4.157 4.350 -0.059 0.000 0.191 450 E C 2.214 178.767 176.600 -0.078 0.000 0.985 450 E CA 1.647 58.005 56.400 -0.070 0.000 0.801 450 E CB -0.234 29.418 29.700 -0.080 0.000 0.750 450 E HN 0.723 nan 8.360 nan 0.000 0.452 451 K N 0.065 120.414 120.400 -0.084 0.000 2.025 451 K HA -0.011 4.273 4.320 -0.059 0.000 0.207 451 K C 2.311 178.858 176.600 -0.088 0.000 1.049 451 K CA 1.218 57.456 56.287 -0.082 0.000 0.933 451 K CB -0.132 32.320 32.500 -0.079 0.000 0.714 451 K HN 0.064 nan 8.250 nan 0.000 0.438 452 M N 0.583 120.117 119.600 -0.111 0.000 2.159 452 M HA -0.132 4.312 4.480 -0.059 0.000 0.263 452 M C 0.545 176.769 176.300 -0.126 0.000 1.063 452 M CA 0.654 55.871 55.300 -0.137 0.000 1.110 452 M CB -0.425 32.064 32.600 -0.183 0.000 1.374 452 M HN 0.154 nan 8.290 nan 0.000 0.411 453 N N 1.069 119.701 118.700 -0.113 0.000 2.686 453 N HA -0.132 4.573 4.740 -0.059 0.000 0.261 453 N C 0.489 175.918 175.510 -0.135 0.000 1.001 453 N CA 0.657 53.654 53.050 -0.089 0.000 0.764 453 N CB -0.588 37.869 38.487 -0.051 0.000 0.898 453 N HN 0.388 nan 8.380 nan 0.000 0.544 454 V N -2.739 117.017 119.914 -0.262 0.000 2.688 454 V HA -0.128 3.956 4.120 -0.059 0.000 0.256 454 V C 1.493 177.317 176.094 -0.450 0.000 1.084 454 V CA 1.593 63.640 62.300 -0.420 0.000 1.103 454 V CB -0.756 30.667 31.823 -0.666 0.000 0.688 454 V HN 0.256 nan 8.190 nan 0.000 0.480 455 F N 1.382 121.309 119.950 -0.039 0.000 2.647 455 F HA 0.471 4.963 4.527 -0.059 0.000 0.300 455 F C 0.823 176.607 175.800 -0.027 0.000 1.106 455 F CA -1.464 56.517 58.000 -0.032 0.000 1.313 455 F CB -0.953 38.028 39.000 -0.032 0.000 1.007 455 F HN 0.227 nan 8.300 nan 0.000 0.536 456 N N 1.224 119.976 118.700 0.087 0.000 2.607 456 N HA -0.186 4.519 4.740 -0.059 0.000 0.285 456 N C -0.275 175.273 175.510 0.063 0.000 1.151 456 N CA 0.857 53.938 53.050 0.051 0.000 0.749 456 N CB -1.260 37.252 38.487 0.043 0.000 0.923 456 N HN 0.131 nan 8.380 nan 0.000 0.552 457 T N 0.951 115.538 114.554 0.056 0.000 2.867 457 T HA 0.202 4.516 4.350 -0.059 0.000 0.282 457 T C 0.565 175.278 174.700 0.022 0.000 1.000 457 T CA -0.669 61.459 62.100 0.046 0.000 1.042 457 T CB 1.563 70.465 68.868 0.057 0.000 0.973 457 T HN 0.114 nan 8.240 nan 0.000 0.465 458 E N 1.987 122.196 120.200 0.015 0.000 2.341 458 E HA 0.110 4.424 4.350 -0.059 0.000 0.256 458 E C 0.951 177.553 176.600 0.004 0.000 1.125 458 E CA -0.140 56.264 56.400 0.007 0.000 0.939 458 E CB 0.363 30.066 29.700 0.004 0.000 0.991 458 E HN 0.501 nan 8.360 nan 0.000 0.458 459 V N 1.453 121.367 119.914 -0.000 0.000 3.612 459 V HA -0.013 4.072 4.120 -0.059 0.000 0.268 459 V C 2.003 178.092 176.094 -0.008 0.000 1.365 459 V CA 0.133 62.430 62.300 -0.004 0.000 1.044 459 V CB -0.109 31.709 31.823 -0.008 0.000 0.820 459 V HN 0.559 nan 8.190 nan 0.000 0.444 460 R N 1.344 121.840 120.500 -0.007 0.000 2.096 460 R HA -0.052 4.252 4.340 -0.059 0.000 0.235 460 R C 0.838 177.132 176.300 -0.010 0.000 1.127 460 R CA 1.916 58.011 56.100 -0.008 0.000 0.968 460 R CB -0.884 29.413 30.300 -0.006 0.000 0.861 460 R HN 0.492 nan 8.270 nan 0.000 0.440 461 N N 1.219 119.914 118.700 -0.008 0.000 2.843 461 N HA 0.218 4.922 4.740 -0.059 0.000 0.284 461 N C -0.724 174.779 175.510 -0.012 0.000 1.274 461 N CA 0.290 53.334 53.050 -0.010 0.000 1.045 461 N CB 0.369 38.852 38.487 -0.007 0.000 1.370 461 N HN 0.235 nan 8.380 nan 0.000 0.525 462 L N -0.479 120.734 121.223 -0.016 0.000 2.350 462 L HA 0.393 4.698 4.340 -0.059 0.000 0.260 462 L C 0.537 177.385 176.870 -0.037 0.000 1.015 462 L CA -0.875 53.953 54.840 -0.020 0.000 0.821 462 L CB 1.898 43.950 42.059 -0.012 0.000 1.370 462 L HN 0.015 nan 8.230 nan 0.000 0.416 463 S N -0.262 115.409 115.700 -0.049 0.000 2.645 463 S HA 0.311 4.745 4.470 -0.059 0.000 0.266 463 S C 0.782 175.298 174.600 -0.141 0.000 1.258 463 S CA -0.710 57.434 58.200 -0.092 0.000 0.990 463 S CB 1.303 64.451 63.200 -0.087 0.000 0.967 463 S HN 0.497 nan 8.310 nan 0.000 0.556 464 K N 0.455 120.674 120.400 -0.302 0.000 2.009 464 K HA -0.080 4.205 4.320 -0.059 0.000 0.210 464 K C 2.144 178.494 176.600 -0.418 0.000 1.049 464 K CA 1.386 57.327 56.287 -0.578 0.000 0.929 464 K CB -1.311 30.306 32.500 -1.471 0.000 0.714 464 K HN 0.512 nan 8.250 nan 0.000 0.440 465 V N 1.908 121.632 119.914 -0.316 0.000 2.332 465 V HA -0.252 3.833 4.120 -0.059 0.000 0.248 465 V C 1.833 177.941 176.094 0.023 0.000 1.055 465 V CA 1.939 64.207 62.300 -0.053 0.000 1.038 465 V CB -0.154 31.669 31.823 -0.000 0.000 0.651 465 V HN 0.357 nan 8.190 nan 0.000 0.450 466 E N -0.419 119.778 120.200 -0.005 0.000 2.158 466 E HA -0.178 4.137 4.350 -0.059 0.000 0.191 466 E C 2.308 178.931 176.600 0.038 0.000 0.982 466 E CA 0.852 57.264 56.400 0.019 0.000 0.823 466 E CB -0.156 29.544 29.700 0.001 0.000 0.766 466 E HN 0.405 nan 8.360 nan 0.000 0.468 467 R N 1.499 122.024 120.500 0.041 0.000 2.193 467 R HA -0.059 4.245 4.340 -0.059 0.000 0.229 467 R C 1.894 178.235 176.300 0.067 0.000 1.110 467 R CA 1.221 57.348 56.100 0.044 0.000 0.988 467 R CB -0.517 29.807 30.300 0.039 0.000 0.871 467 R HN 0.142 nan 8.270 nan 0.000 0.458 468 A N 0.389 123.317 122.820 0.179 0.000 1.883 468 A HA -0.153 4.131 4.320 -0.059 0.000 0.217 468 A C 1.536 179.164 177.584 0.074 0.000 1.186 468 A CA 1.901 54.056 52.037 0.197 0.000 0.624 468 A CB -0.288 18.923 19.000 0.352 0.000 0.822 468 A HN 0.506 nan 8.150 nan 0.000 0.444 469 N N -1.604 117.133 118.700 0.062 0.000 2.159 469 N HA 0.268 4.973 4.740 -0.059 0.000 0.217 469 N C 1.516 177.042 175.510 0.026 0.000 1.223 469 N CA 0.708 53.779 53.050 0.035 0.000 0.896 469 N CB 0.299 38.810 38.487 0.040 0.000 1.064 469 N HN 0.397 nan 8.380 nan 0.000 0.518 470 A N 1.510 124.345 122.820 0.025 0.000 1.891 470 A HA -0.301 3.984 4.320 -0.059 0.000 0.221 470 A C 2.426 180.024 177.584 0.024 0.000 1.394 470 A CA 2.109 54.160 52.037 0.022 0.000 0.730 470 A CB -1.343 17.666 19.000 0.015 0.000 0.845 470 A HN 0.434 nan 8.150 nan 0.000 0.471 471 C N -0.650 118.660 119.300 0.017 0.000 2.396 471 C HA -0.156 4.269 4.460 -0.059 0.000 0.277 471 C C 2.728 177.738 174.990 0.034 0.000 1.231 471 C CA 1.220 60.254 59.018 0.027 0.000 1.775 471 C CB -1.788 25.949 27.740 -0.005 0.000 2.036 471 C HN 0.671 nan 8.230 nan 0.000 0.484 472 N N 0.757 119.466 118.700 0.015 0.000 2.106 472 N HA -0.095 4.609 4.740 -0.059 0.000 0.188 472 N C 1.955 177.483 175.510 0.029 0.000 1.029 472 N CA 1.474 54.532 53.050 0.012 0.000 0.848 472 N CB -0.436 38.053 38.487 0.003 0.000 1.007 472 N HN 0.455 nan 8.380 nan 0.000 0.423 473 S N 0.736 116.455 115.700 0.032 0.000 2.365 473 S HA -0.100 4.334 4.470 -0.059 0.000 0.225 473 S C 2.281 176.901 174.600 0.033 0.000 1.039 473 S CA 0.965 59.185 58.200 0.034 0.000 1.033 473 S CB -0.394 62.826 63.200 0.033 0.000 0.887 473 S HN 0.096 nan 8.310 nan 0.000 0.447 474 V N 2.308 122.248 119.914 0.043 0.000 2.252 474 V HA -0.236 3.849 4.120 -0.059 0.000 0.249 474 V C 2.041 178.166 176.094 0.052 0.000 1.056 474 V CA 1.877 64.203 62.300 0.043 0.000 1.022 474 V CB -0.726 31.152 31.823 0.091 0.000 0.641 474 V HN 0.495 nan 8.190 nan 0.000 0.445 475 I N -0.611 120.025 120.570 0.110 0.000 2.493 475 I HA -0.209 3.925 4.170 -0.059 0.000 0.254 475 I C 2.609 178.758 176.117 0.053 0.000 1.160 475 I CA 1.301 62.678 61.300 0.127 0.000 1.445 475 I CB -0.471 37.594 38.000 0.109 0.000 1.086 475 I HN 0.251 nan 8.210 nan 0.000 0.433 476 R N 0.507 121.030 120.500 0.037 0.000 2.189 476 R HA -0.118 4.186 4.340 -0.059 0.000 0.223 476 R C 2.090 178.403 176.300 0.022 0.000 1.092 476 R CA 0.839 56.958 56.100 0.032 0.000 0.989 476 R CB -0.130 30.190 30.300 0.033 0.000 0.876 476 R HN 0.514 nan 8.270 nan 0.000 0.457 477 Q N -0.095 119.709 119.800 0.006 0.000 2.311 477 Q HA -0.042 4.263 4.340 -0.059 0.000 0.203 477 Q C 1.640 177.624 176.000 -0.027 0.000 0.954 477 Q CA 0.678 56.473 55.803 -0.013 0.000 0.885 477 Q CB 0.186 28.906 28.738 -0.029 0.000 0.963 477 Q HN 0.192 nan 8.270 nan 0.000 0.471 478 L N -0.491 120.713 121.223 -0.032 0.000 2.156 478 L HA -0.028 4.276 4.340 -0.059 0.000 0.208 478 L C 0.676 177.552 176.870 0.009 0.000 1.095 478 L CA 1.196 56.012 54.840 -0.040 0.000 0.770 478 L CB 0.159 42.188 42.059 -0.050 0.000 0.914 478 L HN 0.175 nan 8.230 nan 0.000 0.439 479 M N -0.862 118.763 119.600 0.040 0.000 2.591 479 M HA 0.304 4.748 4.480 -0.059 0.000 0.306 479 M C -0.544 175.788 176.300 0.052 0.000 1.190 479 M CA -0.513 54.827 55.300 0.067 0.000 0.889 479 M CB 1.922 34.614 32.600 0.153 0.000 1.728 479 M HN -0.162 nan 8.290 nan 0.000 0.458 480 K N 2.026 122.451 120.400 0.042 0.000 2.240 480 K HA 0.279 4.563 4.320 -0.059 0.000 0.271 480 K C -0.565 176.062 176.600 0.046 0.000 1.018 480 K CA -0.372 55.939 56.287 0.041 0.000 0.874 480 K CB 1.215 33.738 32.500 0.037 0.000 1.098 480 K HN 0.588 nan 8.250 nan 0.000 0.458 481 K N 4.667 125.097 120.400 0.050 0.000 2.262 481 K HA 0.017 4.301 4.320 -0.059 0.000 0.288 481 K C 0.502 177.138 176.600 0.060 0.000 1.090 481 K CA -0.213 56.099 56.287 0.041 0.000 0.918 481 K CB 0.701 33.230 32.500 0.048 0.000 1.139 481 K HN 0.597 nan 8.250 nan 0.000 0.462 482 E N 3.125 123.365 120.200 0.068 0.000 2.047 482 E HA -0.102 4.213 4.350 -0.059 0.000 0.191 482 E C 0.290 177.059 176.600 0.283 0.000 0.987 482 E CA 1.244 57.749 56.400 0.175 0.000 0.799 482 E CB -0.147 29.714 29.700 0.267 0.000 0.752 482 E HN 0.572 nan 8.360 nan 0.000 0.449 483 F N -2.467 117.509 119.950 0.044 0.000 2.842 483 F HA 0.422 4.913 4.527 -0.059 0.000 0.319 483 F C -0.827 174.988 175.800 0.025 0.000 1.159 483 F CA -1.252 56.750 58.000 0.003 0.000 0.902 483 F CB 1.236 40.195 39.000 -0.067 0.000 1.311 483 F HN -0.244 nan 8.300 nan 0.000 0.453 484 T N 0.633 115.289 114.554 0.171 0.000 2.863 484 T HA 0.651 4.965 4.350 -0.059 0.000 0.285 484 T C -1.113 173.663 174.700 0.127 0.000 1.009 484 T CA -0.739 61.406 62.100 0.075 0.000 0.989 484 T CB 1.394 70.315 68.868 0.088 0.000 1.004 484 T HN 0.866 nan 8.240 nan 0.000 0.455 485 L N 3.841 125.087 121.223 0.038 0.000 2.449 485 L HA 0.305 4.610 4.340 -0.059 0.000 0.255 485 L C 0.251 177.242 176.870 0.202 0.000 1.167 485 L CA -0.884 53.920 54.840 -0.060 0.000 1.090 485 L CB -0.387 41.500 42.059 -0.286 0.000 1.385 485 L HN 0.781 nan 8.230 nan 0.000 0.411 486 E N 0.847 121.198 120.200 0.252 0.000 2.864 486 E HA -0.220 4.095 4.350 -0.059 0.000 0.285 486 E C -0.183 176.603 176.600 0.310 0.000 0.965 486 E CA 0.517 57.077 56.400 0.267 0.000 0.985 486 E CB 0.187 30.026 29.700 0.232 0.000 1.000 486 E HN 0.291 nan 8.360 nan 0.000 0.475 487 F N 1.905 121.940 119.950 0.142 0.000 2.572 487 F HA 0.116 4.607 4.527 -0.059 0.000 0.370 487 F C 0.192 176.057 175.800 0.109 0.000 1.103 487 F CA 0.316 58.389 58.000 0.121 0.000 1.286 487 F CB 0.492 39.544 39.000 0.086 0.000 1.105 487 F HN 0.382 nan 8.300 nan 0.000 0.583 488 S N 5.736 120.994 115.700 -0.737 0.000 2.677 488 S HA 0.387 4.822 4.470 -0.059 0.000 0.283 488 S C 0.038 174.198 174.600 -0.733 0.000 1.159 488 S CA -1.103 56.707 58.200 -0.650 0.000 1.001 488 S CB 1.776 64.817 63.200 -0.265 0.000 1.032 488 S HN 0.867 nan 8.310 nan 0.000 0.487 489 R N 1.726 121.840 120.500 -0.644 0.000 2.397 489 R HA -0.066 4.239 4.340 -0.059 0.000 0.213 489 R C 1.305 177.526 176.300 -0.132 0.000 1.102 489 R CA 1.567 57.481 56.100 -0.310 0.000 1.040 489 R CB -0.370 29.841 30.300 -0.149 0.000 0.844 489 R HN 0.867 nan 8.270 nan 0.000 0.478 490 D N -0.001 120.312 120.400 -0.145 0.000 2.201 490 D HA -0.144 4.460 4.640 -0.059 0.000 0.209 490 D C 1.784 178.066 176.300 -0.030 0.000 0.961 490 D CA 0.390 54.345 54.000 -0.076 0.000 0.861 490 D CB -0.224 40.518 40.800 -0.097 0.000 0.997 490 D HN 0.106 nan 8.370 nan 0.000 0.486 491 R N 0.572 121.049 120.500 -0.038 0.000 2.073 491 R HA -0.046 4.259 4.340 -0.059 0.000 0.229 491 R C 0.364 176.722 176.300 0.097 0.000 1.120 491 R CA 0.749 56.869 56.100 0.033 0.000 0.967 491 R CB 0.127 30.461 30.300 0.056 0.000 0.862 491 R HN -0.057 nan 8.270 nan 0.000 0.436 492 K N -0.014 120.457 120.400 0.119 0.000 3.291 492 K HA -0.131 4.153 4.320 -0.059 0.000 0.290 492 K C -0.771 176.082 176.600 0.421 0.000 1.235 492 K CA 1.098 57.567 56.287 0.302 0.000 0.848 492 K CB -1.899 30.722 32.500 0.202 0.000 1.295 492 K HN 0.507 nan 8.250 nan 0.000 0.497 493 S N -1.490 114.481 115.700 0.452 0.000 2.688 493 S HA 0.813 5.248 4.470 -0.059 0.000 0.275 493 S C -0.629 174.266 174.600 0.490 0.000 1.175 493 S CA -0.972 57.468 58.200 0.400 0.000 0.818 493 S CB 3.121 66.461 63.200 0.232 0.000 1.157 493 S HN 0.248 nan 8.310 nan 0.000 0.482 494 M N 1.102 120.896 119.600 0.324 0.000 2.575 494 M HA 0.731 5.176 4.480 -0.059 0.000 0.284 494 M C -1.485 174.925 176.300 0.183 0.000 1.253 494 M CA -0.260 55.214 55.300 0.288 0.000 0.861 494 M CB 2.078 34.833 32.600 0.258 0.000 1.733 494 M HN 0.957 nan 8.290 nan 0.000 0.462 495 S N 1.437 117.228 115.700 0.151 0.000 2.618 495 S HA 0.912 5.346 4.470 -0.059 0.000 0.277 495 S C -2.056 172.565 174.600 0.035 0.000 1.138 495 S CA -0.540 57.714 58.200 0.089 0.000 0.844 495 S CB 2.281 65.530 63.200 0.082 0.000 1.127 495 S HN 0.620 nan 8.310 nan 0.000 0.474 496 V N 2.604 122.506 119.914 -0.021 0.000 2.851 496 V HA 0.441 4.526 4.120 -0.059 0.000 0.307 496 V C -1.840 174.112 176.094 -0.236 0.000 1.129 496 V CA -0.643 61.605 62.300 -0.087 0.000 0.932 496 V CB 2.006 33.848 31.823 0.031 0.000 1.024 496 V HN 0.897 nan 8.190 nan 0.000 0.426 497 Y N 4.246 124.183 120.300 -0.606 0.000 2.335 497 Y HA 0.665 5.180 4.550 -0.059 0.000 0.339 497 Y C -0.078 175.540 175.900 -0.469 0.000 0.987 497 Y CA -0.300 57.371 58.100 -0.714 0.000 1.140 497 Y CB 1.204 38.825 38.460 -1.398 0.000 1.173 497 Y HN 0.708 nan 8.280 nan 0.000 0.486 498 C N 3.569 122.547 119.300 -0.535 0.000 2.707 498 C HA 0.783 5.208 4.460 -0.059 0.000 0.313 498 C C -0.644 174.188 174.990 -0.263 0.000 1.209 498 C CA -0.877 57.982 59.018 -0.266 0.000 1.635 498 C CB 1.252 28.906 27.740 -0.142 0.000 2.206 498 C HN 0.889 nan 8.230 nan 0.000 0.485 499 S N 1.865 117.520 115.700 -0.075 0.000 2.536 499 S HA 0.736 5.171 4.470 -0.059 0.000 0.298 499 S C -3.098 171.493 174.600 -0.015 0.000 1.083 499 S CA -1.225 56.949 58.200 -0.044 0.000 0.995 499 S CB 1.625 64.843 63.200 0.029 0.000 1.058 499 S HN 0.634 nan 8.310 nan 0.000 0.488 500 P HA 0.218 nan 4.420 nan 0.000 0.271 500 P C 0.539 177.840 177.300 0.001 0.000 1.216 500 P CA -0.208 62.891 63.100 -0.002 0.000 0.771 500 P CB 1.005 32.700 31.700 -0.008 0.000 0.864 501 A N 5.317 128.137 122.820 -0.001 0.000 1.826 501 A HA -0.059 4.225 4.320 -0.059 0.000 0.214 501 A C 1.280 178.859 177.584 -0.010 0.000 1.212 501 A CA 1.309 53.344 52.037 -0.004 0.000 0.605 501 A CB -0.631 18.363 19.000 -0.009 0.000 0.861 501 A HN 0.523 nan 8.150 nan 0.000 0.447 502 K N -1.096 119.292 120.400 -0.019 0.000 2.842 502 K HA 0.441 4.725 4.320 -0.059 0.000 0.310 502 K C 0.425 177.014 176.600 -0.017 0.000 0.992 502 K CA 0.167 56.442 56.287 -0.020 0.000 1.207 502 K CB 0.187 32.669 32.500 -0.030 0.000 1.478 502 K HN 0.150 nan 8.250 nan 0.000 0.601 503 S N 0.415 116.103 115.700 -0.019 0.000 2.574 503 S HA 0.015 4.450 4.470 -0.059 0.000 0.242 503 S C 1.139 175.729 174.600 -0.018 0.000 0.982 503 S CA -0.232 57.959 58.200 -0.015 0.000 0.977 503 S CB 0.051 63.243 63.200 -0.013 0.000 0.814 503 S HN 0.558 nan 8.310 nan 0.000 0.464 504 S N 2.093 117.779 115.700 -0.024 0.000 2.388 504 S HA 0.128 4.563 4.470 -0.059 0.000 0.223 504 S C 1.507 176.097 174.600 -0.016 0.000 1.034 504 S CA 0.107 58.291 58.200 -0.026 0.000 0.963 504 S CB -0.085 63.088 63.200 -0.045 0.000 0.827 504 S HN 0.404 nan 8.310 nan 0.000 0.481 505 R N 0.296 120.788 120.500 -0.013 0.000 2.476 505 R HA 0.478 4.782 4.340 -0.059 0.000 0.276 505 R C 2.076 178.373 176.300 -0.006 0.000 0.941 505 R CA 0.475 56.574 56.100 -0.003 0.000 1.088 505 R CB 0.018 30.323 30.300 0.009 0.000 1.216 505 R HN 0.440 nan 8.270 nan 0.000 0.533 506 A N 1.633 124.448 122.820 -0.010 0.000 1.986 506 A HA -0.143 4.142 4.320 -0.059 0.000 0.220 506 A C 1.922 179.499 177.584 -0.011 0.000 1.171 506 A CA 1.866 53.897 52.037 -0.010 0.000 0.640 506 A CB -0.333 18.661 19.000 -0.009 0.000 0.811 506 A HN 0.310 nan 8.150 nan 0.000 0.451 507 A N -0.678 122.136 122.820 -0.009 0.000 2.426 507 A HA 0.434 4.718 4.320 -0.059 0.000 0.247 507 A C 0.992 178.568 177.584 -0.012 0.000 1.389 507 A CA 0.830 52.862 52.037 -0.009 0.000 1.129 507 A CB -0.507 18.488 19.000 -0.007 0.000 0.928 507 A HN 0.496 nan 8.150 nan 0.000 0.557 508 V N -2.071 117.833 119.914 -0.016 0.000 3.245 508 V HA 0.481 4.566 4.120 -0.059 0.000 0.246 508 V C 1.100 177.172 176.094 -0.036 0.000 1.487 508 V CA 0.443 62.729 62.300 -0.023 0.000 1.154 508 V CB -0.570 31.243 31.823 -0.017 0.000 0.971 508 V HN 1.276 nan 8.190 nan 0.000 0.443 509 G N 1.308 110.084 108.800 -0.039 0.000 2.566 509 G HA2 -0.144 3.781 3.960 -0.059 0.000 0.599 509 G HA3 -0.144 3.781 3.960 -0.059 0.000 0.599 509 G C -0.918 173.923 174.900 -0.098 0.000 1.292 509 G CA -0.375 44.693 45.100 -0.054 0.000 0.922 509 G HN 0.233 nan 8.290 nan 0.000 0.514 510 N N 0.842 119.462 118.700 -0.134 0.000 2.467 510 N HA 0.549 5.254 4.740 -0.059 0.000 0.262 510 N C 0.084 175.350 175.510 -0.406 0.000 1.234 510 N CA 0.092 52.976 53.050 -0.277 0.000 0.952 510 N CB 0.950 39.248 38.487 -0.313 0.000 1.158 510 N HN 0.540 nan 8.380 nan 0.000 0.463 511 K N 0.938 120.973 120.400 -0.609 0.000 2.444 511 K HA 0.493 4.778 4.320 -0.059 0.000 0.252 511 K C -0.605 175.398 176.600 -0.995 0.000 0.993 511 K CA -0.509 55.350 56.287 -0.712 0.000 0.847 511 K CB 2.125 34.200 32.500 -0.708 0.000 1.340 511 K HN 0.473 nan 8.250 nan 0.000 0.446 512 M N 1.801 120.899 119.600 -0.837 0.000 2.197 512 M HA 0.393 4.838 4.480 -0.059 0.000 0.301 512 M C -1.436 174.536 176.300 -0.547 0.000 0.987 512 M CA -0.691 54.220 55.300 -0.648 0.000 0.921 512 M CB 1.037 33.448 32.600 -0.315 0.000 1.569 512 M HN 0.328 nan 8.290 nan 0.000 0.431 513 F N 3.695 123.581 119.950 -0.106 0.000 2.385 513 F HA 0.546 5.038 4.527 -0.059 0.000 0.360 513 F C -0.079 175.699 175.800 -0.036 0.000 1.122 513 F CA -0.923 57.035 58.000 -0.069 0.000 1.090 513 F CB 0.750 39.706 39.000 -0.073 0.000 1.150 513 F HN 0.122 nan 8.300 nan 0.000 0.472 514 V N 3.297 123.304 119.914 0.155 0.000 2.732 514 V HA 0.742 4.827 4.120 -0.059 0.000 0.310 514 V C -0.538 175.605 176.094 0.083 0.000 1.053 514 V CA -1.170 61.196 62.300 0.110 0.000 0.957 514 V CB 2.041 33.924 31.823 0.100 0.000 1.018 514 V HN 0.752 nan 8.190 nan 0.000 0.452 515 K N 1.391 121.838 120.400 0.078 0.000 2.569 515 K HA 0.829 5.114 4.320 -0.059 0.000 0.259 515 K C -0.567 176.071 176.600 0.064 0.000 0.932 515 K CA -0.424 55.889 56.287 0.044 0.000 0.833 515 K CB 2.126 34.630 32.500 0.007 0.000 1.340 515 K HN 1.081 nan 8.250 nan 0.000 0.429 516 G N 0.717 109.554 108.800 0.061 0.000 2.500 516 G HA2 0.564 4.488 3.960 -0.059 0.000 0.299 516 G HA3 0.564 4.488 3.960 -0.059 0.000 0.299 516 G C -1.516 173.431 174.900 0.078 0.000 1.242 516 G CA -0.543 44.607 45.100 0.084 0.000 0.859 516 G HN 0.780 nan 8.290 nan 0.000 0.481 517 A N 0.689 123.576 122.820 0.111 0.000 2.454 517 A HA 0.606 4.891 4.320 -0.059 0.000 0.260 517 A C -0.815 176.827 177.584 0.096 0.000 1.106 517 A CA -0.350 51.747 52.037 0.100 0.000 0.780 517 A CB 0.230 19.302 19.000 0.120 0.000 1.044 517 A HN 0.297 nan 8.150 nan 0.000 0.498 518 P HA -0.262 nan 4.420 nan 0.000 0.219 518 P C 1.046 178.389 177.300 0.073 0.000 1.161 518 P CA 2.089 65.241 63.100 0.087 0.000 0.909 518 P CB 0.159 31.903 31.700 0.074 0.000 0.793 519 E N -0.983 119.254 120.200 0.063 0.000 2.065 519 E HA -0.181 4.133 4.350 -0.059 0.000 0.201 519 E C 2.329 178.964 176.600 0.058 0.000 1.016 519 E CA 1.803 58.234 56.400 0.050 0.000 0.818 519 E CB -1.412 28.320 29.700 0.053 0.000 0.749 519 E HN 0.275 nan 8.360 nan 0.000 0.453 520 G N 0.378 109.224 108.800 0.076 0.000 2.421 520 G HA2 -0.239 3.685 3.960 -0.059 0.000 0.216 520 G HA3 -0.239 3.685 3.960 -0.059 0.000 0.216 520 G C 1.763 176.713 174.900 0.085 0.000 1.171 520 G CA 1.061 46.209 45.100 0.081 0.000 0.775 520 G HN 0.172 nan 8.290 nan 0.000 0.543 521 V N 1.253 121.228 119.914 0.102 0.000 2.270 521 V HA -0.122 3.963 4.120 -0.059 0.000 0.245 521 V C 2.781 178.947 176.094 0.119 0.000 1.043 521 V CA 1.524 63.894 62.300 0.117 0.000 1.014 521 V CB -0.497 31.407 31.823 0.135 0.000 0.645 521 V HN 0.372 nan 8.190 nan 0.000 0.447 522 I N 0.478 121.115 120.570 0.113 0.000 2.315 522 I HA -0.280 3.854 4.170 -0.059 0.000 0.251 522 I C 2.120 178.254 176.117 0.029 0.000 1.125 522 I CA 1.559 62.899 61.300 0.067 0.000 1.392 522 I CB -0.457 37.529 38.000 -0.023 0.000 1.065 522 I HN 0.353 nan 8.210 nan 0.000 0.424 523 D N 0.739 121.158 120.400 0.032 0.000 2.183 523 D HA -0.074 4.531 4.640 -0.059 0.000 0.203 523 D C 1.572 177.884 176.300 0.020 0.000 0.969 523 D CA 0.946 54.956 54.000 0.016 0.000 0.842 523 D CB -0.094 40.719 40.800 0.020 0.000 0.957 523 D HN 0.340 nan 8.370 nan 0.000 0.484 524 R N -0.243 120.283 120.500 0.043 0.000 2.752 524 R HA 0.253 4.558 4.340 -0.059 0.000 0.279 524 R C -0.407 175.921 176.300 0.047 0.000 1.212 524 R CA -0.145 55.981 56.100 0.044 0.000 1.169 524 R CB -0.147 30.191 30.300 0.064 0.000 1.286 524 R HN 0.003 nan 8.270 nan 0.000 0.564 525 C N 0.990 120.311 119.300 0.034 0.000 2.301 525 C HA 0.314 4.738 4.460 -0.059 0.000 0.323 525 C C 0.916 175.866 174.990 -0.066 0.000 1.265 525 C CA -0.868 58.174 59.018 0.041 0.000 1.503 525 C CB 0.910 28.727 27.740 0.129 0.000 2.195 525 C HN 0.527 nan 8.230 nan 0.000 0.477 526 N N 0.920 119.492 118.700 -0.212 0.000 2.254 526 N HA 0.134 4.839 4.740 -0.059 0.000 0.190 526 N C -0.878 174.214 175.510 -0.697 0.000 1.107 526 N CA 0.583 53.337 53.050 -0.493 0.000 0.869 526 N CB 0.374 38.441 38.487 -0.700 0.000 0.983 526 N HN 0.689 nan 8.380 nan 0.000 0.487 527 Y N -0.516 119.829 120.300 0.075 0.000 2.524 527 Y HA 0.473 4.987 4.550 -0.059 0.000 0.347 527 Y C -0.106 175.870 175.900 0.127 0.000 1.005 527 Y CA -1.582 56.566 58.100 0.081 0.000 1.025 527 Y CB 1.461 39.962 38.460 0.067 0.000 1.275 527 Y HN -0.315 nan 8.280 nan 0.000 0.460 528 V N 0.035 120.122 119.914 0.288 0.000 2.495 528 V HA 0.687 4.771 4.120 -0.059 0.000 0.298 528 V C -0.343 175.890 176.094 0.233 0.000 1.031 528 V CA -1.247 61.230 62.300 0.295 0.000 0.871 528 V CB 1.562 33.527 31.823 0.237 0.000 0.988 528 V HN 0.814 nan 8.190 nan 0.000 0.432 529 R N 2.999 123.619 120.500 0.201 0.000 2.441 529 R HA 0.690 4.994 4.340 -0.059 0.000 0.284 529 R C -1.188 175.187 176.300 0.125 0.000 1.070 529 R CA -0.273 55.901 56.100 0.123 0.000 1.047 529 R CB 1.486 31.825 30.300 0.064 0.000 1.016 529 R HN 0.713 nan 8.270 nan 0.000 0.477 530 V N 5.753 125.728 119.914 0.101 0.000 2.380 530 V HA 0.430 4.515 4.120 -0.059 0.000 0.286 530 V C 0.983 177.131 176.094 0.090 0.000 1.015 530 V CA 0.157 62.519 62.300 0.103 0.000 0.834 530 V CB 0.536 32.415 31.823 0.094 0.000 1.009 530 V HN 1.151 nan 8.190 nan 0.000 0.428 531 G N 5.346 114.208 108.800 0.103 0.000 2.846 531 G HA2 -0.371 3.554 3.960 -0.059 0.000 0.317 531 G HA3 -0.371 3.554 3.960 -0.059 0.000 0.317 531 G C 0.931 175.870 174.900 0.065 0.000 1.210 531 G CA 1.423 46.580 45.100 0.094 0.000 0.972 531 G HN 1.425 nan 8.290 nan 0.000 0.567 532 T N -1.499 113.086 114.554 0.051 0.000 3.043 532 T HA 0.489 4.804 4.350 -0.059 0.000 0.272 532 T C 1.107 175.824 174.700 0.028 0.000 0.990 532 T CA 1.423 63.545 62.100 0.037 0.000 0.897 532 T CB 0.120 69.007 68.868 0.032 0.000 1.111 532 T HN 1.645 nan 8.240 nan 0.000 0.529 533 T N 0.229 114.804 114.554 0.035 0.000 2.810 533 T HA 0.589 4.903 4.350 -0.059 0.000 0.277 533 T C -0.208 174.510 174.700 0.029 0.000 0.973 533 T CA -0.915 61.201 62.100 0.026 0.000 0.949 533 T CB 1.676 70.565 68.868 0.035 0.000 1.075 533 T HN 0.420 nan 8.240 nan 0.000 0.537 534 R N -0.062 120.447 120.500 0.014 0.000 2.604 534 R HA 0.616 4.920 4.340 -0.059 0.000 0.281 534 R C -1.671 174.659 176.300 0.050 0.000 1.020 534 R CA -0.808 55.304 56.100 0.020 0.000 0.899 534 R CB 2.113 32.364 30.300 -0.082 0.000 1.205 534 R HN 0.833 nan 8.270 nan 0.000 0.450 535 V N 0.533 120.523 119.914 0.127 0.000 3.007 535 V HA 0.710 4.794 4.120 -0.059 0.000 0.311 535 V C -2.782 173.463 176.094 0.251 0.000 1.120 535 V CA -2.365 60.026 62.300 0.151 0.000 0.980 535 V CB 2.116 34.002 31.823 0.105 0.000 1.033 535 V HN 0.698 nan 8.190 nan 0.000 0.429 536 P HA 0.188 nan 4.420 nan 0.000 0.268 536 P C -0.374 176.971 177.300 0.075 0.000 1.205 536 P CA -0.204 63.010 63.100 0.190 0.000 0.771 536 P CB 0.773 32.553 31.700 0.133 0.000 0.858 537 M N 3.876 123.479 119.600 0.006 0.000 2.252 537 M HA 0.159 4.604 4.480 -0.059 0.000 0.348 537 M C 0.035 176.317 176.300 -0.030 0.000 1.334 537 M CA 1.011 56.300 55.300 -0.017 0.000 1.071 537 M CB -0.319 32.249 32.600 -0.053 0.000 1.763 537 M HN 0.515 nan 8.290 nan 0.000 0.452 538 T N 1.559 116.094 114.554 -0.032 0.000 2.907 538 T HA 0.723 5.037 4.350 -0.059 0.000 0.290 538 T C 0.934 175.604 174.700 -0.049 0.000 1.066 538 T CA -0.547 61.534 62.100 -0.032 0.000 1.012 538 T CB 1.162 70.019 68.868 -0.018 0.000 1.184 538 T HN 0.682 nan 8.240 nan 0.000 0.522 539 G N 0.882 109.657 108.800 -0.042 0.000 2.514 539 G HA2 -0.071 3.854 3.960 -0.059 0.000 0.217 539 G HA3 -0.071 3.854 3.960 -0.059 0.000 0.217 539 G C -0.939 173.924 174.900 -0.063 0.000 1.198 539 G CA 1.008 46.079 45.100 -0.048 0.000 0.780 539 G HN 0.654 nan 8.290 nan 0.000 0.565 540 P HA -0.087 nan 4.420 nan 0.000 0.215 540 P C 2.184 179.417 177.300 -0.110 0.000 1.157 540 P CA 1.348 64.404 63.100 -0.073 0.000 0.874 540 P CB -0.149 31.519 31.700 -0.053 0.000 0.790 541 V N 0.179 120.028 119.914 -0.107 0.000 2.295 541 V HA -0.255 3.830 4.120 -0.059 0.000 0.246 541 V C 2.468 178.461 176.094 -0.169 0.000 1.049 541 V CA 1.832 64.052 62.300 -0.134 0.000 1.024 541 V CB -1.082 30.683 31.823 -0.096 0.000 0.648 541 V HN 0.131 nan 8.190 nan 0.000 0.447 542 K N 0.071 120.382 120.400 -0.148 0.000 2.074 542 K HA -0.308 3.976 4.320 -0.059 0.000 0.209 542 K C 2.198 178.706 176.600 -0.154 0.000 1.048 542 K CA 2.176 58.365 56.287 -0.164 0.000 0.926 542 K CB -0.125 32.306 32.500 -0.116 0.000 0.713 542 K HN 0.488 nan 8.250 nan 0.000 0.444 543 E N 1.121 121.244 120.200 -0.127 0.000 2.038 543 E HA -0.220 4.094 4.350 -0.059 0.000 0.195 543 E C 1.928 178.436 176.600 -0.154 0.000 1.000 543 E CA 1.625 57.954 56.400 -0.119 0.000 0.803 543 E CB -0.038 29.604 29.700 -0.098 0.000 0.750 543 E HN 0.048 nan 8.360 nan 0.000 0.448 544 K N 0.367 120.657 120.400 -0.183 0.000 1.985 544 K HA -0.108 4.176 4.320 -0.059 0.000 0.210 544 K C 2.148 178.582 176.600 -0.276 0.000 1.047 544 K CA 1.357 57.501 56.287 -0.238 0.000 0.932 544 K CB -0.633 31.709 32.500 -0.264 0.000 0.716 544 K HN 0.235 nan 8.250 nan 0.000 0.439 545 I N 1.772 122.197 120.570 -0.241 0.000 2.074 545 I HA -0.363 3.771 4.170 -0.059 0.000 0.238 545 I C 2.523 178.567 176.117 -0.122 0.000 1.037 545 I CA 1.614 62.817 61.300 -0.161 0.000 1.301 545 I CB -1.451 36.349 38.000 -0.334 0.000 1.016 545 I HN 0.150 nan 8.210 nan 0.000 0.400 546 L N 0.833 121.972 121.223 -0.140 0.000 2.046 546 L HA -0.216 4.089 4.340 -0.059 0.000 0.208 546 L C 2.879 179.673 176.870 -0.127 0.000 1.077 546 L CA 1.806 56.583 54.840 -0.105 0.000 0.747 546 L CB -0.810 41.196 42.059 -0.089 0.000 0.896 546 L HN 0.383 nan 8.230 nan 0.000 0.432 547 S N -0.398 115.207 115.700 -0.158 0.000 2.370 547 S HA -0.158 4.277 4.470 -0.059 0.000 0.226 547 S C 1.892 176.359 174.600 -0.221 0.000 1.033 547 S CA 1.416 59.520 58.200 -0.160 0.000 1.011 547 S CB -0.977 62.127 63.200 -0.160 0.000 0.852 547 S HN 0.209 nan 8.310 nan 0.000 0.457 548 V N 2.320 122.020 119.914 -0.356 0.000 2.548 548 V HA -0.072 4.012 4.120 -0.059 0.000 0.249 548 V C 2.474 178.240 176.094 -0.547 0.000 1.055 548 V CA 1.049 63.006 62.300 -0.571 0.000 1.065 548 V CB -0.831 30.402 31.823 -0.982 0.000 0.681 548 V HN 0.435 nan 8.190 nan 0.000 0.462 549 I N 0.617 121.020 120.570 -0.278 0.000 2.179 549 I HA -0.256 3.878 4.170 -0.059 0.000 0.242 549 I C 2.448 178.546 176.117 -0.032 0.000 1.088 549 I CA 1.908 63.146 61.300 -0.102 0.000 1.357 549 I CB -1.170 36.828 38.000 -0.004 0.000 1.051 549 I HN 0.385 nan 8.210 nan 0.000 0.409 550 K N 1.164 121.531 120.400 -0.054 0.000 2.009 550 K HA -0.257 4.028 4.320 -0.059 0.000 0.210 550 K C 2.157 178.768 176.600 0.018 0.000 1.049 550 K CA 1.921 58.200 56.287 -0.013 0.000 0.929 550 K CB -0.175 32.303 32.500 -0.036 0.000 0.714 550 K HN 0.283 nan 8.250 nan 0.000 0.440 551 E N -0.286 119.900 120.200 -0.023 0.000 2.035 551 E HA -0.236 4.078 4.350 -0.059 0.000 0.204 551 E C 1.775 178.510 176.600 0.225 0.000 1.025 551 E CA 1.897 58.331 56.400 0.056 0.000 0.835 551 E CB -0.209 29.495 29.700 0.007 0.000 0.764 551 E HN 0.458 nan 8.360 nan 0.000 0.457 552 W N 0.276 121.594 121.300 0.030 0.000 2.342 552 W HA -0.031 4.594 4.660 -0.059 0.000 0.297 552 W C 2.368 178.907 176.519 0.033 0.000 1.213 552 W CA 1.045 58.414 57.345 0.041 0.000 1.251 552 W CB -1.433 28.073 29.460 0.076 0.000 1.136 552 W HN 0.284 nan 8.180 nan 0.000 0.526 553 G N 0.145 109.102 108.800 0.261 0.000 2.511 553 G HA2 -0.269 3.655 3.960 -0.059 0.000 0.216 553 G HA3 -0.269 3.655 3.960 -0.059 0.000 0.216 553 G C 1.352 176.317 174.900 0.108 0.000 1.218 553 G CA 2.414 47.608 45.100 0.157 0.000 0.788 553 G HN 0.282 nan 8.290 nan 0.000 0.560 554 T N -0.648 113.957 114.554 0.086 0.000 3.219 554 T HA 0.436 4.751 4.350 -0.059 0.000 0.249 554 T C 1.297 176.033 174.700 0.060 0.000 1.099 554 T CA 0.459 62.594 62.100 0.059 0.000 0.988 554 T CB 0.064 68.954 68.868 0.036 0.000 0.999 554 T HN 0.376 nan 8.240 nan 0.000 0.550 555 G N 0.995 109.847 108.800 0.087 0.000 2.631 555 G HA2 0.224 4.148 3.960 -0.059 0.000 0.271 555 G HA3 0.224 4.148 3.960 -0.059 0.000 0.271 555 G C 0.837 175.763 174.900 0.045 0.000 1.302 555 G CA -0.883 44.264 45.100 0.078 0.000 1.002 555 G HN 0.334 nan 8.290 nan 0.000 0.519 556 R N -0.867 119.650 120.500 0.029 0.000 2.152 556 R HA -0.063 4.242 4.340 -0.059 0.000 0.232 556 R C 1.015 177.317 176.300 0.003 0.000 1.117 556 R CA 1.327 57.434 56.100 0.012 0.000 0.981 556 R CB 0.077 30.378 30.300 0.003 0.000 0.870 556 R HN 0.413 nan 8.270 nan 0.000 0.451 557 D N -0.137 120.263 120.400 -0.000 0.000 2.339 557 D HA -0.024 4.581 4.640 -0.059 0.000 0.217 557 D C -0.011 176.290 176.300 0.001 0.000 1.050 557 D CA 0.695 54.685 54.000 -0.016 0.000 0.856 557 D CB 0.245 41.015 40.800 -0.050 0.000 0.922 557 D HN 0.195 nan 8.370 nan 0.000 0.518 558 T N -0.591 113.979 114.554 0.027 0.000 3.361 558 T HA -0.261 4.054 4.350 -0.059 0.000 0.417 558 T C 0.379 175.105 174.700 0.043 0.000 0.769 558 T CA 0.132 62.256 62.100 0.041 0.000 2.085 558 T CB -2.437 66.447 68.868 0.026 0.000 1.689 558 T HN 0.222 nan 8.240 nan 0.000 0.639 559 L N 0.566 121.829 121.223 0.067 0.000 2.380 559 L HA 0.361 4.666 4.340 -0.059 0.000 0.273 559 L C 1.299 178.227 176.870 0.098 0.000 1.138 559 L CA -0.686 54.194 54.840 0.067 0.000 0.832 559 L CB 0.698 42.798 42.059 0.068 0.000 1.124 559 L HN 0.463 nan 8.230 nan 0.000 0.454 560 R N 2.685 123.226 120.500 0.069 0.000 2.210 560 R HA 0.335 4.639 4.340 -0.059 0.000 0.338 560 R C -1.154 175.200 176.300 0.091 0.000 1.062 560 R CA -0.457 55.685 56.100 0.069 0.000 0.902 560 R CB 0.507 30.831 30.300 0.041 0.000 1.050 560 R HN 0.654 nan 8.270 nan 0.000 0.461 561 C N 4.599 123.969 119.300 0.116 0.000 2.365 561 C HA 0.625 5.050 4.460 -0.059 0.000 0.349 561 C C -0.748 174.292 174.990 0.084 0.000 1.191 561 C CA -0.796 58.304 59.018 0.136 0.000 2.114 561 C CB 1.058 28.910 27.740 0.188 0.000 2.367 561 C HN 0.713 nan 8.230 nan 0.000 0.530 562 L N 2.039 123.303 121.223 0.069 0.000 2.464 562 L HA 0.711 5.015 4.340 -0.059 0.000 0.266 562 L C 0.029 176.912 176.870 0.023 0.000 0.965 562 L CA -0.056 54.804 54.840 0.033 0.000 0.833 562 L CB 1.464 43.523 42.059 0.001 0.000 1.296 562 L HN 0.885 nan 8.230 nan 0.000 0.405 563 A N 4.242 127.087 122.820 0.042 0.000 2.279 563 A HA 0.883 5.168 4.320 -0.059 0.000 0.303 563 A C -1.303 176.270 177.584 -0.017 0.000 1.108 563 A CA -0.341 51.726 52.037 0.049 0.000 0.830 563 A CB 0.704 19.801 19.000 0.161 0.000 1.106 563 A HN 0.571 nan 8.150 nan 0.000 0.493 564 L N 0.437 121.588 121.223 -0.121 0.000 2.410 564 L HA 0.802 5.107 4.340 -0.059 0.000 0.270 564 L C 0.184 176.937 176.870 -0.195 0.000 0.983 564 L CA 0.171 54.926 54.840 -0.141 0.000 0.822 564 L CB 1.936 43.883 42.059 -0.186 0.000 1.285 564 L HN 0.997 nan 8.230 nan 0.000 0.409 565 A N 0.835 123.619 122.820 -0.059 0.000 2.588 565 A HA 0.970 5.254 4.320 -0.059 0.000 0.290 565 A C -0.861 176.770 177.584 0.078 0.000 1.136 565 A CA -0.188 51.836 52.037 -0.022 0.000 0.681 565 A CB 1.999 21.027 19.000 0.047 0.000 1.282 565 A HN 0.649 nan 8.150 nan 0.000 0.421 566 T N -1.060 113.548 114.554 0.091 0.000 2.903 566 T HA 0.699 5.013 4.350 -0.059 0.000 0.299 566 T C -0.913 173.812 174.700 0.043 0.000 1.093 566 T CA -0.784 61.377 62.100 0.102 0.000 1.002 566 T CB 1.701 70.677 68.868 0.180 0.000 1.127 566 T HN 0.551 nan 8.240 nan 0.000 0.488 567 R N 1.843 122.318 120.500 -0.042 0.000 2.280 567 R HA 0.221 4.526 4.340 -0.059 0.000 0.326 567 R C -0.047 176.204 176.300 -0.082 0.000 1.080 567 R CA -0.341 55.742 56.100 -0.027 0.000 1.002 567 R CB 0.549 30.822 30.300 -0.046 0.000 1.136 567 R HN 0.740 nan 8.270 nan 0.000 0.509 568 D N 0.767 121.151 120.400 -0.026 0.000 2.149 568 D HA -0.094 4.510 4.640 -0.059 0.000 0.198 568 D C -0.034 176.221 176.300 -0.075 0.000 0.990 568 D CA 1.660 55.625 54.000 -0.058 0.000 0.839 568 D CB 0.456 41.226 40.800 -0.050 0.000 0.948 568 D HN 0.323 nan 8.370 nan 0.000 0.460 569 T N 3.001 117.533 114.554 -0.038 0.000 3.241 569 T HA 0.261 4.575 4.350 -0.059 0.000 0.387 569 T C -2.407 172.287 174.700 -0.010 0.000 1.451 569 T CA -1.287 60.797 62.100 -0.028 0.000 1.363 569 T CB 2.260 71.130 68.868 0.004 0.000 1.074 569 T HN 0.018 nan 8.240 nan 0.000 0.598 570 P HA 0.332 nan 4.420 nan 0.000 0.272 570 P C -2.696 174.645 177.300 0.068 0.000 1.240 570 P CA -1.330 61.767 63.100 -0.005 0.000 0.791 570 P CB -0.013 31.614 31.700 -0.121 0.000 0.978 571 P HA 0.135 nan 4.420 nan 0.000 0.272 571 P C -0.265 177.086 177.300 0.085 0.000 1.240 571 P CA -0.060 63.084 63.100 0.072 0.000 0.791 571 P CB 0.259 31.976 31.700 0.028 0.000 0.978 572 K N 1.519 121.944 120.400 0.041 0.000 2.416 572 K HA 0.030 4.314 4.320 -0.059 0.000 0.283 572 K C 1.400 177.985 176.600 -0.025 0.000 1.037 572 K CA 0.115 56.421 56.287 0.032 0.000 0.995 572 K CB 0.305 32.813 32.500 0.013 0.000 0.938 572 K HN 0.357 nan 8.250 nan 0.000 0.475 573 R N 2.353 122.836 120.500 -0.028 0.000 2.204 573 R HA -0.269 4.035 4.340 -0.059 0.000 0.253 573 R C 0.779 176.956 176.300 -0.204 0.000 1.172 573 R CA 1.899 57.883 56.100 -0.194 0.000 0.994 573 R CB 0.188 30.381 30.300 -0.178 0.000 0.874 573 R HN 0.585 nan 8.270 nan 0.000 0.462 574 E N -0.060 120.067 120.200 -0.122 0.000 2.086 574 E HA -0.098 4.216 4.350 -0.059 0.000 0.190 574 E C 1.346 177.884 176.600 -0.104 0.000 0.975 574 E CA 1.029 57.362 56.400 -0.111 0.000 0.813 574 E CB 0.022 29.684 29.700 -0.064 0.000 0.768 574 E HN 0.401 nan 8.360 nan 0.000 0.457 575 E N 0.166 120.320 120.200 -0.078 0.000 2.501 575 E HA -0.093 4.221 4.350 -0.059 0.000 0.203 575 E C -0.100 176.449 176.600 -0.085 0.000 1.072 575 E CA 0.402 56.774 56.400 -0.046 0.000 0.885 575 E CB -0.190 29.504 29.700 -0.009 0.000 0.813 575 E HN 0.296 nan 8.360 nan 0.000 0.556 576 M N 1.285 120.754 119.600 -0.218 0.000 2.205 576 M HA 0.250 4.694 4.480 -0.059 0.000 0.344 576 M C -0.843 175.368 176.300 -0.149 0.000 1.085 576 M CA -0.603 54.465 55.300 -0.386 0.000 1.001 576 M CB 2.162 34.321 32.600 -0.735 0.000 1.626 576 M HN -0.274 nan 8.290 nan 0.000 0.442 577 V N 5.382 125.372 119.914 0.127 0.000 2.334 577 V HA 0.247 4.332 4.120 -0.059 0.000 0.281 577 V C 0.721 176.981 176.094 0.277 0.000 1.016 577 V CA -0.487 61.893 62.300 0.132 0.000 0.832 577 V CB 1.106 33.012 31.823 0.139 0.000 0.999 577 V HN 0.845 nan 8.190 nan 0.000 0.439 578 L N 3.075 124.394 121.223 0.160 0.000 2.660 578 L HA 0.047 4.351 4.340 -0.059 0.000 0.238 578 L C 2.067 179.119 176.870 0.303 0.000 1.161 578 L CA 0.032 55.071 54.840 0.330 0.000 0.937 578 L CB -0.669 41.435 42.059 0.075 0.000 1.122 578 L HN 0.796 nan 8.230 nan 0.000 0.435 579 D N 0.954 121.464 120.400 0.184 0.000 2.103 579 D HA -0.233 4.371 4.640 -0.059 0.000 0.190 579 D C 0.513 176.836 176.300 0.038 0.000 0.997 579 D CA 1.445 55.499 54.000 0.091 0.000 0.833 579 D CB 0.024 40.858 40.800 0.057 0.000 0.961 579 D HN 0.384 nan 8.370 nan 0.000 0.447 580 D N -1.672 118.708 120.400 -0.034 0.000 2.780 580 D HA 0.208 4.812 4.640 -0.059 0.000 0.242 580 D C 0.754 176.669 176.300 -0.641 0.000 1.135 580 D CA -0.143 53.725 54.000 -0.219 0.000 0.859 580 D CB 2.127 42.831 40.800 -0.160 0.000 1.530 580 D HN -0.045 nan 8.370 nan 0.000 0.493 581 S N 1.486 116.652 115.700 -0.889 0.000 2.528 581 S HA -0.198 4.236 4.470 -0.059 0.000 0.244 581 S C 1.663 175.732 174.600 -0.885 0.000 0.982 581 S CA 1.285 58.569 58.200 -1.527 0.000 0.953 581 S CB -0.550 62.227 63.200 -0.704 0.000 0.754 581 S HN 0.426 nan 8.310 nan 0.000 0.529 582 S N 1.263 116.654 115.700 -0.515 0.000 2.489 582 S HA 0.129 4.564 4.470 -0.059 0.000 0.228 582 S C 1.802 176.253 174.600 -0.248 0.000 0.995 582 S CA -0.211 57.814 58.200 -0.290 0.000 0.934 582 S CB -0.327 62.759 63.200 -0.191 0.000 0.771 582 S HN 0.510 nan 8.310 nan 0.000 0.522 583 R N -0.014 120.316 120.500 -0.284 0.000 2.276 583 R HA 0.282 4.587 4.340 -0.059 0.000 0.196 583 R C 1.515 177.624 176.300 -0.319 0.000 0.961 583 R CA 0.276 56.235 56.100 -0.235 0.000 1.024 583 R CB -0.409 29.829 30.300 -0.105 0.000 0.940 583 R HN 0.589 nan 8.270 nan 0.000 0.480 584 F N 0.625 120.406 119.950 -0.281 0.000 2.171 584 F HA -0.179 4.313 4.527 -0.059 0.000 0.300 584 F C 2.605 178.337 175.800 -0.113 0.000 1.090 584 F CA 0.434 58.357 58.000 -0.128 0.000 1.293 584 F CB -0.274 38.766 39.000 0.068 0.000 1.013 584 F HN -0.001 nan 8.300 nan 0.000 0.486 585 M N 0.370 120.022 119.600 0.087 0.000 2.202 585 M HA -0.215 4.229 4.480 -0.059 0.000 0.262 585 M C 2.111 178.424 176.300 0.021 0.000 1.063 585 M CA 1.613 56.950 55.300 0.061 0.000 1.097 585 M CB -0.181 32.433 32.600 0.023 0.000 1.382 585 M HN 0.014 nan 8.290 nan 0.000 0.413 586 E N -0.177 119.966 120.200 -0.096 0.000 2.106 586 E HA -0.165 4.149 4.350 -0.059 0.000 0.192 586 E C 1.677 178.326 176.600 0.082 0.000 0.984 586 E CA 1.328 57.689 56.400 -0.066 0.000 0.806 586 E CB -0.347 29.258 29.700 -0.158 0.000 0.750 586 E HN 0.608 nan 8.360 nan 0.000 0.458 587 Y N 0.979 121.359 120.300 0.133 0.000 2.421 587 Y HA -0.039 4.475 4.550 -0.059 0.000 0.292 587 Y C 0.938 176.895 175.900 0.094 0.000 1.136 587 Y CA 0.544 58.712 58.100 0.114 0.000 1.255 587 Y CB -0.295 38.234 38.460 0.116 0.000 0.991 587 Y HN 0.029 nan 8.280 nan 0.000 0.552 588 E N 0.231 120.567 120.200 0.227 0.000 2.280 588 E HA 0.184 4.498 4.350 -0.059 0.000 0.279 588 E C -0.009 176.665 176.600 0.123 0.000 1.325 588 E CA -0.098 56.397 56.400 0.159 0.000 1.486 588 E CB 0.270 30.062 29.700 0.153 0.000 1.466 588 E HN 0.001 nan 8.360 nan 0.000 0.473 589 T N -0.218 114.409 114.554 0.121 0.000 2.865 589 T HA 0.180 4.494 4.350 -0.059 0.000 0.294 589 T C -0.656 174.098 174.700 0.090 0.000 1.119 589 T CA -0.471 61.684 62.100 0.092 0.000 1.007 589 T CB 1.206 70.123 68.868 0.082 0.000 1.225 589 T HN 0.295 nan 8.240 nan 0.000 0.515 590 D N 0.715 121.152 120.400 0.062 0.000 2.723 590 D HA -0.138 4.467 4.640 -0.059 0.000 0.236 590 D C -0.239 176.134 176.300 0.122 0.000 1.138 590 D CA 0.741 54.778 54.000 0.062 0.000 0.676 590 D CB -1.521 39.340 40.800 0.102 0.000 1.069 590 D HN 0.460 nan 8.370 nan 0.000 0.430 591 L N -0.755 120.529 121.223 0.103 0.000 2.468 591 L HA 0.487 4.791 4.340 -0.059 0.000 0.254 591 L C 1.058 178.046 176.870 0.195 0.000 1.171 591 L CA -0.326 54.597 54.840 0.138 0.000 0.809 591 L CB 1.001 43.129 42.059 0.116 0.000 1.155 591 L HN -0.027 nan 8.230 nan 0.000 0.473 592 T N 0.766 115.441 114.554 0.202 0.000 2.815 592 T HA 0.294 4.608 4.350 -0.059 0.000 0.289 592 T C -0.550 174.253 174.700 0.172 0.000 1.000 592 T CA -0.345 61.899 62.100 0.241 0.000 0.958 592 T CB 0.701 69.698 68.868 0.215 0.000 0.944 592 T HN 0.255 nan 8.240 nan 0.000 0.442 593 F N 4.134 124.138 119.950 0.090 0.000 2.578 593 F HA 0.242 4.734 4.527 -0.059 0.000 0.376 593 F C 0.782 176.611 175.800 0.048 0.000 1.085 593 F CA 0.304 58.337 58.000 0.055 0.000 1.260 593 F CB 0.532 39.558 39.000 0.044 0.000 1.095 593 F HN 0.354 nan 8.300 nan 0.000 0.573 594 V N 4.590 123.897 119.914 -1.012 0.000 2.840 594 V HA 0.496 4.580 4.120 -0.059 0.000 0.234 594 V C 1.013 176.567 176.094 -0.900 0.000 1.159 594 V CA 0.692 62.590 62.300 -0.669 0.000 1.194 594 V CB 0.003 31.616 31.823 -0.350 0.000 0.971 594 V HN 1.015 nan 8.190 nan 0.000 0.494 595 G N -0.887 107.229 108.800 -1.140 0.000 2.488 595 G HA2 0.548 4.472 3.960 -0.059 0.000 0.301 595 G HA3 0.548 4.472 3.960 -0.059 0.000 0.301 595 G C -2.158 172.416 174.900 -0.543 0.000 1.339 595 G CA -0.166 44.510 45.100 -0.708 0.000 0.803 595 G HN 0.015 nan 8.290 nan 0.000 0.482 596 V N -0.617 118.947 119.914 -0.584 0.000 3.001 596 V HA 0.860 4.945 4.120 -0.059 0.000 0.314 596 V C -0.100 175.904 176.094 -0.150 0.000 1.099 596 V CA -0.596 61.469 62.300 -0.392 0.000 0.989 596 V CB 1.881 33.317 31.823 -0.645 0.000 1.040 596 V HN 1.459 nan 8.190 nan 0.000 0.434 597 V N -0.565 119.372 119.914 0.039 0.000 3.007 597 V HA 1.061 5.146 4.120 -0.059 0.000 0.311 597 V C -0.157 176.061 176.094 0.206 0.000 1.120 597 V CA -0.465 61.908 62.300 0.123 0.000 0.980 597 V CB 1.798 33.629 31.823 0.013 0.000 1.033 597 V HN 1.124 nan 8.190 nan 0.000 0.429 598 G N 4.160 113.042 108.800 0.137 0.000 2.609 598 G HA2 0.708 4.632 3.960 -0.059 0.000 0.308 598 G HA3 0.708 4.632 3.960 -0.059 0.000 0.308 598 G C -0.792 174.089 174.900 -0.033 0.000 1.369 598 G CA -0.898 44.261 45.100 0.099 0.000 0.958 598 G HN 1.103 nan 8.290 nan 0.000 0.499 599 M N 1.634 121.232 119.600 -0.003 0.000 2.662 599 M HA 0.811 5.256 4.480 -0.059 0.000 0.310 599 M C -0.828 175.451 176.300 -0.034 0.000 1.204 599 M CA -1.192 54.089 55.300 -0.033 0.000 0.891 599 M CB 2.186 34.779 32.600 -0.012 0.000 1.732 599 M HN 0.396 nan 8.290 nan 0.000 0.467 600 L N -0.219 120.972 121.223 -0.053 0.000 2.325 600 L HA 0.869 5.173 4.340 -0.059 0.000 0.278 600 L C -1.153 175.691 176.870 -0.043 0.000 1.023 600 L CA -0.100 54.711 54.840 -0.049 0.000 0.811 600 L CB 1.638 43.657 42.059 -0.066 0.000 1.249 600 L HN 0.818 nan 8.230 nan 0.000 0.431 601 D N 3.060 123.442 120.400 -0.030 0.000 2.472 601 D HA 0.369 4.973 4.640 -0.059 0.000 0.248 601 D C -2.719 173.565 176.300 -0.027 0.000 1.271 601 D CA -1.318 52.667 54.000 -0.025 0.000 0.888 601 D CB 1.177 41.974 40.800 -0.006 0.000 1.337 601 D HN 0.483 nan 8.370 nan 0.000 0.526 602 P HA 0.135 nan 4.420 nan 0.000 0.261 602 P C -2.449 174.830 177.300 -0.036 0.000 1.183 602 P CA -0.884 62.195 63.100 -0.035 0.000 0.761 602 P CB 0.253 31.930 31.700 -0.038 0.000 0.785 603 P HA 0.127 nan 4.420 nan 0.000 0.272 603 P C 0.074 177.340 177.300 -0.056 0.000 1.223 603 P CA -0.063 63.001 63.100 -0.060 0.000 0.784 603 P CB 0.785 32.444 31.700 -0.069 0.000 0.923 604 R N 1.741 122.199 120.500 -0.070 0.000 2.570 604 R HA 0.032 4.337 4.340 -0.059 0.000 0.277 604 R C 1.744 178.021 176.300 -0.039 0.000 1.039 604 R CA 0.040 56.113 56.100 -0.044 0.000 1.065 604 R CB 0.270 30.548 30.300 -0.036 0.000 0.964 604 R HN 0.461 nan 8.270 nan 0.000 0.428 605 K N 2.243 122.635 120.400 -0.014 0.000 2.032 605 K HA -0.192 4.092 4.320 -0.059 0.000 0.209 605 K C 1.662 178.265 176.600 0.005 0.000 1.048 605 K CA 1.645 57.928 56.287 -0.006 0.000 0.927 605 K CB 0.060 32.562 32.500 0.002 0.000 0.712 605 K HN 0.648 nan 8.250 nan 0.000 0.441 606 E N 1.484 121.701 120.200 0.028 0.000 2.418 606 E HA -0.098 4.216 4.350 -0.059 0.000 0.197 606 E C 1.839 178.487 176.600 0.081 0.000 1.026 606 E CA 0.737 57.173 56.400 0.059 0.000 0.862 606 E CB -0.345 29.408 29.700 0.087 0.000 0.799 606 E HN 0.075 nan 8.360 nan 0.000 0.518 607 V N 1.991 121.912 119.914 0.012 0.000 2.295 607 V HA -0.289 3.796 4.120 -0.059 0.000 0.246 607 V C 2.743 178.816 176.094 -0.034 0.000 1.049 607 V CA 2.143 64.396 62.300 -0.078 0.000 1.024 607 V CB -0.705 30.908 31.823 -0.350 0.000 0.648 607 V HN 0.286 nan 8.190 nan 0.000 0.447 608 M N 0.811 120.388 119.600 -0.039 0.000 2.110 608 M HA -0.183 4.262 4.480 -0.059 0.000 0.257 608 M C 2.062 178.371 176.300 0.015 0.000 1.071 608 M CA 2.735 58.022 55.300 -0.021 0.000 1.096 608 M CB -0.799 31.790 32.600 -0.018 0.000 1.300 608 M HN 0.352 nan 8.290 nan 0.000 0.411 609 G N -0.925 107.892 108.800 0.029 0.000 2.418 609 G HA2 -0.193 3.731 3.960 -0.059 0.000 0.217 609 G HA3 -0.193 3.731 3.960 -0.059 0.000 0.217 609 G C 1.406 176.343 174.900 0.061 0.000 1.158 609 G CA 1.047 46.170 45.100 0.039 0.000 0.771 609 G HN 0.573 nan 8.290 nan 0.000 0.545 610 S N 0.609 116.372 115.700 0.105 0.000 2.387 610 S HA -0.106 4.328 4.470 -0.059 0.000 0.230 610 S C 2.235 176.918 174.600 0.138 0.000 1.035 610 S CA 1.115 59.404 58.200 0.149 0.000 1.014 610 S CB -0.240 63.151 63.200 0.318 0.000 0.836 610 S HN 0.415 nan 8.310 nan 0.000 0.466 611 I N 1.073 121.719 120.570 0.127 0.000 2.315 611 I HA -0.186 3.949 4.170 -0.059 0.000 0.248 611 I C 2.721 178.867 176.117 0.048 0.000 1.117 611 I CA 1.036 62.389 61.300 0.088 0.000 1.404 611 I CB -0.359 37.660 38.000 0.032 0.000 1.071 611 I HN 0.265 nan 8.210 nan 0.000 0.419 612 Q N 1.543 121.365 119.800 0.038 0.000 1.967 612 Q HA -0.195 4.109 4.340 -0.059 0.000 0.202 612 Q C 2.071 178.086 176.000 0.025 0.000 0.985 612 Q CA 2.008 57.826 55.803 0.025 0.000 0.839 612 Q CB -0.487 28.264 28.738 0.022 0.000 0.906 612 Q HN 0.268 nan 8.270 nan 0.000 0.423 613 L N -0.081 121.159 121.223 0.029 0.000 2.129 613 L HA -0.238 4.066 4.340 -0.059 0.000 0.212 613 L C 2.604 179.484 176.870 0.018 0.000 1.087 613 L CA 1.451 56.304 54.840 0.021 0.000 0.757 613 L CB -1.241 40.831 42.059 0.021 0.000 0.896 613 L HN 0.402 nan 8.230 nan 0.000 0.434 614 C N -1.283 118.034 119.300 0.028 0.000 2.425 614 C HA -0.146 4.278 4.460 -0.059 0.000 0.277 614 C C 3.049 178.049 174.990 0.016 0.000 1.280 614 C CA 0.723 59.754 59.018 0.023 0.000 1.744 614 C CB -0.754 27.011 27.740 0.043 0.000 1.989 614 C HN 0.518 nan 8.230 nan 0.000 0.491 615 R N 0.878 121.388 120.500 0.018 0.000 2.066 615 R HA -0.111 4.194 4.340 -0.059 0.000 0.232 615 R C 1.761 178.066 176.300 0.007 0.000 1.131 615 R CA 1.833 57.940 56.100 0.012 0.000 0.955 615 R CB -0.345 29.963 30.300 0.013 0.000 0.851 615 R HN 0.467 nan 8.270 nan 0.000 0.432 616 D N 0.427 120.831 120.400 0.008 0.000 2.158 616 D HA -0.169 4.435 4.640 -0.059 0.000 0.197 616 D C 1.259 177.560 176.300 0.000 0.000 0.995 616 D CA 1.602 55.604 54.000 0.004 0.000 0.846 616 D CB -0.175 40.628 40.800 0.005 0.000 0.941 616 D HN 0.388 nan 8.370 nan 0.000 0.456 617 A N -0.067 122.753 122.820 0.000 0.000 2.276 617 A HA 0.400 4.684 4.320 -0.059 0.000 0.212 617 A C 1.612 179.193 177.584 -0.006 0.000 1.230 617 A CA 0.789 52.824 52.037 -0.004 0.000 0.844 617 A CB -0.561 18.435 19.000 -0.006 0.000 0.860 617 A HN 0.226 nan 8.150 nan 0.000 0.486 618 G N -0.339 108.459 108.800 -0.004 0.000 2.283 618 G HA2 -0.254 3.671 3.960 -0.059 0.000 0.280 618 G HA3 -0.254 3.671 3.960 -0.059 0.000 0.280 618 G C -0.013 174.885 174.900 -0.004 0.000 1.029 618 G CA 0.677 45.774 45.100 -0.005 0.000 0.840 618 G HN 0.568 nan 8.290 nan 0.000 0.505 619 I N -0.096 120.474 120.570 -0.000 0.000 2.377 619 I HA 0.407 4.541 4.170 -0.059 0.000 0.293 619 I C 0.947 177.071 176.117 0.012 0.000 0.987 619 I CA -0.929 60.372 61.300 0.002 0.000 1.185 619 I CB 1.337 39.337 38.000 -0.001 0.000 1.341 619 I HN -0.019 nan 8.210 nan 0.000 0.455 620 R N 4.126 124.635 120.500 0.016 0.000 2.459 620 R HA 0.577 4.881 4.340 -0.059 0.000 0.281 620 R C -1.077 175.244 176.300 0.034 0.000 1.050 620 R CA -0.518 55.596 56.100 0.023 0.000 1.055 620 R CB 1.746 32.063 30.300 0.028 0.000 1.045 620 R HN 0.365 nan 8.270 nan 0.000 0.495 621 V N 5.800 125.732 119.914 0.029 0.000 2.357 621 V HA 0.338 4.423 4.120 -0.059 0.000 0.281 621 V C -0.031 176.071 176.094 0.014 0.000 1.015 621 V CA -0.510 61.815 62.300 0.041 0.000 0.827 621 V CB 1.283 33.139 31.823 0.055 0.000 1.018 621 V HN 0.597 nan 8.190 nan 0.000 0.432 622 I N 4.819 125.421 120.570 0.052 0.000 2.428 622 I HA 0.479 4.614 4.170 -0.059 0.000 0.296 622 I C 0.098 176.259 176.117 0.073 0.000 0.985 622 I CA -0.332 61.017 61.300 0.081 0.000 1.260 622 I CB 1.660 39.764 38.000 0.173 0.000 1.389 622 I HN 0.493 nan 8.210 nan 0.000 0.484 623 M N 7.053 126.691 119.600 0.062 0.000 2.180 623 M HA 0.561 5.006 4.480 -0.059 0.000 0.350 623 M C -1.421 174.960 176.300 0.136 0.000 1.125 623 M CA -0.365 54.966 55.300 0.051 0.000 1.031 623 M CB 1.045 33.631 32.600 -0.022 0.000 1.623 623 M HN 0.487 nan 8.290 nan 0.000 0.451 624 I N 3.444 124.076 120.570 0.103 0.000 2.465 624 I HA 0.528 4.662 4.170 -0.059 0.000 0.291 624 I C -0.361 175.808 176.117 0.086 0.000 1.014 624 I CA -0.539 60.830 61.300 0.114 0.000 1.093 624 I CB 2.274 40.300 38.000 0.044 0.000 1.267 624 I HN 0.655 nan 8.210 nan 0.000 0.431 625 T N 2.342 116.957 114.554 0.102 0.000 2.840 625 T HA 0.433 4.747 4.350 -0.059 0.000 0.317 625 T C 0.584 175.346 174.700 0.103 0.000 1.401 625 T CA -0.080 62.072 62.100 0.088 0.000 1.028 625 T CB 1.732 70.645 68.868 0.076 0.000 1.317 625 T HN 0.766 nan 8.240 nan 0.000 0.495 626 G N 1.140 110.002 108.800 0.104 0.000 2.683 626 G HA2 0.124 4.048 3.960 -0.059 0.000 0.213 626 G HA3 0.124 4.048 3.960 -0.059 0.000 0.213 626 G C 0.542 175.513 174.900 0.118 0.000 1.142 626 G CA 0.078 45.252 45.100 0.123 0.000 0.793 626 G HN 0.699 nan 8.290 nan 0.000 0.534 627 D N 0.481 120.939 120.400 0.097 0.000 2.352 627 D HA -0.060 4.545 4.640 -0.059 0.000 0.238 627 D C 0.439 176.790 176.300 0.085 0.000 1.286 627 D CA -0.259 53.792 54.000 0.085 0.000 0.923 627 D CB 0.268 41.109 40.800 0.068 0.000 1.146 627 D HN 0.117 nan 8.370 nan 0.000 0.471 628 N N 1.421 120.167 118.700 0.077 0.000 2.458 628 N HA -0.112 4.593 4.740 -0.059 0.000 0.258 628 N C 0.933 176.481 175.510 0.063 0.000 1.219 628 N CA 0.075 53.167 53.050 0.071 0.000 0.902 628 N CB 0.717 39.245 38.487 0.068 0.000 1.076 628 N HN 0.360 nan 8.380 nan 0.000 0.455 629 K N 3.292 123.725 120.400 0.056 0.000 2.103 629 K HA -0.131 4.153 4.320 -0.059 0.000 0.207 629 K C 1.634 178.255 176.600 0.036 0.000 1.048 629 K CA 1.606 57.919 56.287 0.044 0.000 0.930 629 K CB -0.444 32.071 32.500 0.025 0.000 0.716 629 K HN 0.741 nan 8.250 nan 0.000 0.444 630 G N 0.172 108.991 108.800 0.032 0.000 2.511 630 G HA2 -0.321 3.604 3.960 -0.059 0.000 0.216 630 G HA3 -0.321 3.604 3.960 -0.059 0.000 0.216 630 G C 1.507 176.433 174.900 0.044 0.000 1.218 630 G CA 1.587 46.703 45.100 0.028 0.000 0.788 630 G HN 0.492 nan 8.290 nan 0.000 0.560 631 T N 0.436 115.023 114.554 0.055 0.000 2.881 631 T HA 0.152 4.466 4.350 -0.059 0.000 0.270 631 T C 2.518 177.250 174.700 0.054 0.000 1.068 631 T CA 1.939 64.074 62.100 0.058 0.000 1.131 631 T CB -0.356 68.553 68.868 0.068 0.000 0.871 631 T HN 0.342 nan 8.240 nan 0.000 0.479 632 A N 1.092 123.946 122.820 0.057 0.000 1.873 632 A HA 0.149 4.433 4.320 -0.059 0.000 0.215 632 A C 2.346 179.978 177.584 0.079 0.000 1.186 632 A CA 1.401 53.474 52.037 0.059 0.000 0.616 632 A CB -0.720 18.319 19.000 0.066 0.000 0.823 632 A HN 0.618 nan 8.150 nan 0.000 0.442 633 I N -0.284 120.346 120.570 0.099 0.000 2.315 633 I HA -0.234 3.900 4.170 -0.059 0.000 0.248 633 I C 2.942 179.146 176.117 0.145 0.000 1.117 633 I CA 0.797 62.200 61.300 0.171 0.000 1.404 633 I CB -0.279 37.775 38.000 0.091 0.000 1.071 633 I HN 0.365 nan 8.210 nan 0.000 0.419 634 A N 1.313 124.182 122.820 0.081 0.000 1.865 634 A HA -0.217 4.068 4.320 -0.059 0.000 0.217 634 A C 2.266 179.884 177.584 0.055 0.000 1.191 634 A CA 1.750 53.823 52.037 0.061 0.000 0.623 634 A CB -0.905 18.124 19.000 0.048 0.000 0.826 634 A HN 0.398 nan 8.150 nan 0.000 0.444 635 I N -0.910 119.685 120.570 0.041 0.000 2.394 635 I HA -0.276 3.859 4.170 -0.059 0.000 0.251 635 I C 2.445 178.562 176.117 0.000 0.000 1.136 635 I CA 0.745 62.053 61.300 0.012 0.000 1.425 635 I CB -0.439 37.559 38.000 -0.002 0.000 1.079 635 I HN 0.389 nan 8.210 nan 0.000 0.425 636 C N 0.763 120.077 119.300 0.024 0.000 2.425 636 C HA -0.119 4.306 4.460 -0.059 0.000 0.277 636 C C 2.947 177.952 174.990 0.025 0.000 1.280 636 C CA 0.883 59.878 59.018 -0.039 0.000 1.744 636 C CB -1.093 26.597 27.740 -0.083 0.000 1.989 636 C HN 0.428 nan 8.230 nan 0.000 0.491 637 R N 0.149 120.727 120.500 0.131 0.000 2.092 637 R HA -0.097 4.207 4.340 -0.059 0.000 0.231 637 R C 2.351 178.681 176.300 0.050 0.000 1.119 637 R CA 1.185 57.360 56.100 0.124 0.000 0.970 637 R CB -0.324 30.041 30.300 0.108 0.000 0.864 637 R HN 0.430 nan 8.270 nan 0.000 0.440 638 R N 1.564 122.080 120.500 0.027 0.000 2.096 638 R HA -0.078 4.226 4.340 -0.059 0.000 0.235 638 R C 2.026 178.317 176.300 -0.016 0.000 1.127 638 R CA 1.440 57.542 56.100 0.004 0.000 0.968 638 R CB -0.159 30.139 30.300 -0.002 0.000 0.861 638 R HN 0.380 nan 8.270 nan 0.000 0.440 639 I N -4.329 116.219 120.570 -0.036 0.000 3.728 639 I HA 0.429 4.563 4.170 -0.059 0.000 0.307 639 I C 0.983 177.069 176.117 -0.052 0.000 1.276 639 I CA 0.574 61.837 61.300 -0.061 0.000 1.285 639 I CB 0.626 38.561 38.000 -0.110 0.000 1.038 639 I HN 0.278 nan 8.210 nan 0.000 0.445 640 G N 1.900 110.679 108.800 -0.034 0.000 2.184 640 G HA2 -0.218 3.706 3.960 -0.059 0.000 0.206 640 G HA3 -0.218 3.706 3.960 -0.059 0.000 0.206 640 G C 0.661 175.532 174.900 -0.049 0.000 0.995 640 G CA 0.236 45.324 45.100 -0.020 0.000 0.651 640 G HN 0.424 nan 8.290 nan 0.000 0.511 641 I N -0.352 120.135 120.570 -0.139 0.000 2.546 641 I HA 0.223 4.357 4.170 -0.059 0.000 0.255 641 I C 0.827 176.778 176.117 -0.277 0.000 1.163 641 I CA 1.070 62.190 61.300 -0.300 0.000 1.457 641 I CB -0.053 37.624 38.000 -0.538 0.000 1.092 641 I HN 0.195 nan 8.210 nan 0.000 0.434 642 F N -0.351 119.590 119.950 -0.015 0.000 2.565 642 F HA 0.492 4.983 4.527 -0.059 0.000 0.313 642 F C 0.778 176.567 175.800 -0.018 0.000 1.091 642 F CA -1.233 56.755 58.000 -0.020 0.000 0.915 642 F CB 1.552 40.534 39.000 -0.029 0.000 1.208 642 F HN -0.233 nan 8.300 nan 0.000 0.453 643 G N 1.256 110.171 108.800 0.191 0.000 2.441 643 G HA2 0.057 3.981 3.960 -0.059 0.000 0.243 643 G HA3 0.057 3.981 3.960 -0.059 0.000 0.243 643 G C 0.647 175.583 174.900 0.059 0.000 1.281 643 G CA -0.216 44.937 45.100 0.087 0.000 0.854 643 G HN 0.936 nan 8.290 nan 0.000 0.560 644 E N 1.340 121.564 120.200 0.040 0.000 2.197 644 E HA -0.222 4.093 4.350 -0.059 0.000 0.205 644 E C 0.764 177.367 176.600 0.004 0.000 1.029 644 E CA 1.511 57.925 56.400 0.024 0.000 0.828 644 E CB 0.093 29.801 29.700 0.015 0.000 0.737 644 E HN 0.566 nan 8.360 nan 0.000 0.464 645 N N 0.531 119.227 118.700 -0.006 0.000 2.365 645 N HA 0.031 4.736 4.740 -0.059 0.000 0.257 645 N C -0.970 174.512 175.510 -0.046 0.000 1.287 645 N CA -0.038 52.996 53.050 -0.026 0.000 0.882 645 N CB 0.889 39.364 38.487 -0.021 0.000 1.250 645 N HN 0.206 nan 8.380 nan 0.000 0.507 646 E N 1.595 121.762 120.200 -0.055 0.000 2.338 646 E HA 0.022 4.337 4.350 -0.059 0.000 0.272 646 E C -0.423 176.077 176.600 -0.166 0.000 1.029 646 E CA -0.403 55.944 56.400 -0.088 0.000 0.872 646 E CB 0.867 30.532 29.700 -0.059 0.000 1.015 646 E HN -0.034 nan 8.360 nan 0.000 0.417 647 E N 3.388 123.498 120.200 -0.149 0.000 2.265 647 E HA 0.035 4.350 4.350 -0.059 0.000 0.272 647 E C 0.016 176.456 176.600 -0.267 0.000 1.067 647 E CA -0.053 56.240 56.400 -0.178 0.000 0.900 647 E CB 1.031 30.657 29.700 -0.123 0.000 1.017 647 E HN 0.379 nan 8.360 nan 0.000 0.431 648 V N 2.044 121.737 119.914 -0.368 0.000 3.380 648 V HA 0.422 4.506 4.120 -0.059 0.000 0.307 648 V C 1.531 177.401 176.094 -0.372 0.000 1.434 648 V CA 0.368 62.360 62.300 -0.513 0.000 1.075 648 V CB 0.078 31.305 31.823 -0.994 0.000 0.954 648 V HN 0.588 nan 8.190 nan 0.000 0.444 649 A N 0.955 123.611 122.820 -0.274 0.000 2.204 649 A HA -0.262 4.022 4.320 -0.059 0.000 0.220 649 A C 1.763 179.185 177.584 -0.270 0.000 1.165 649 A CA 2.448 54.340 52.037 -0.241 0.000 0.671 649 A CB -0.506 18.393 19.000 -0.168 0.000 0.792 649 A HN 0.725 nan 8.150 nan 0.000 0.473 650 D N -2.246 118.007 120.400 -0.245 0.000 2.500 650 D HA 0.105 4.710 4.640 -0.059 0.000 0.218 650 D C 1.410 177.612 176.300 -0.164 0.000 1.140 650 D CA 0.091 53.976 54.000 -0.192 0.000 0.830 650 D CB 0.137 40.888 40.800 -0.082 0.000 1.055 650 D HN 0.340 nan 8.370 nan 0.000 0.512 651 R N 0.030 120.411 120.500 -0.199 0.000 2.546 651 R HA 0.600 4.904 4.340 -0.059 0.000 0.320 651 R C -0.520 175.730 176.300 -0.084 0.000 1.021 651 R CA -0.096 55.972 56.100 -0.054 0.000 1.088 651 R CB 1.602 31.932 30.300 0.051 0.000 1.278 651 R HN 0.007 nan 8.270 nan 0.000 0.557 652 A N 0.495 123.090 122.820 -0.375 0.000 2.437 652 A HA 0.645 4.929 4.320 -0.059 0.000 0.293 652 A C -1.578 175.636 177.584 -0.616 0.000 1.038 652 A CA -0.531 51.299 52.037 -0.345 0.000 0.708 652 A CB 0.870 19.764 19.000 -0.176 0.000 1.251 652 A HN 0.160 nan 8.150 nan 0.000 0.409 653 Y N 0.005 120.120 120.300 -0.309 0.000 2.634 653 Y HA 0.751 5.265 4.550 -0.059 0.000 0.340 653 Y C 0.800 176.684 175.900 -0.028 0.000 1.058 653 Y CA -0.239 57.785 58.100 -0.126 0.000 1.081 653 Y CB 2.455 40.900 38.460 -0.024 0.000 1.295 653 Y HN 0.732 nan 8.280 nan 0.000 0.487 654 T N -2.671 112.024 114.554 0.234 0.000 2.863 654 T HA 0.421 4.736 4.350 -0.059 0.000 0.285 654 T C 1.067 175.878 174.700 0.186 0.000 1.009 654 T CA -0.306 61.895 62.100 0.169 0.000 0.989 654 T CB 1.524 70.466 68.868 0.124 0.000 1.004 654 T HN 0.869 nan 8.240 nan 0.000 0.455 655 G N 1.820 110.678 108.800 0.097 0.000 2.550 655 G HA2 -0.342 3.583 3.960 -0.059 0.000 0.222 655 G HA3 -0.342 3.583 3.960 -0.059 0.000 0.222 655 G C 1.496 176.462 174.900 0.111 0.000 1.113 655 G CA 1.246 46.297 45.100 -0.082 0.000 0.748 655 G HN 0.793 nan 8.290 nan 0.000 0.585 656 R N 0.699 121.299 120.500 0.167 0.000 2.070 656 R HA -0.012 4.293 4.340 -0.059 0.000 0.232 656 R C 2.548 178.952 176.300 0.173 0.000 1.138 656 R CA 2.057 58.257 56.100 0.166 0.000 0.936 656 R CB -0.728 29.650 30.300 0.130 0.000 0.839 656 R HN 0.507 nan 8.270 nan 0.000 0.429 657 E N -0.658 119.661 120.200 0.198 0.000 2.070 657 E HA -0.240 4.074 4.350 -0.059 0.000 0.197 657 E C 1.844 178.592 176.600 0.246 0.000 1.004 657 E CA 1.655 58.198 56.400 0.240 0.000 0.805 657 E CB -0.364 29.535 29.700 0.331 0.000 0.744 657 E HN 0.326 nan 8.360 nan 0.000 0.451 658 F N 2.163 122.157 119.950 0.074 0.000 2.065 658 F HA -0.268 4.223 4.527 -0.059 0.000 0.298 658 F C 1.822 177.595 175.800 -0.045 0.000 1.112 658 F CA 1.833 59.785 58.000 -0.079 0.000 1.212 658 F CB -0.034 38.926 39.000 -0.067 0.000 0.975 658 F HN -0.082 nan 8.300 nan 0.000 0.476 659 D N 0.286 120.818 120.400 0.219 0.000 2.221 659 D HA -0.177 4.427 4.640 -0.059 0.000 0.204 659 D C 1.743 178.067 176.300 0.040 0.000 0.982 659 D CA 1.412 55.501 54.000 0.149 0.000 0.857 659 D CB -0.583 40.365 40.800 0.247 0.000 0.934 659 D HN 0.373 nan 8.370 nan 0.000 0.475 660 D N -0.089 120.337 120.400 0.044 0.000 2.264 660 D HA -0.026 4.578 4.640 -0.059 0.000 0.208 660 D C 0.741 177.023 176.300 -0.030 0.000 0.966 660 D CA 0.243 54.256 54.000 0.023 0.000 0.864 660 D CB 0.036 40.867 40.800 0.052 0.000 0.933 660 D HN 0.251 nan 8.370 nan 0.000 0.499 661 L N 1.967 123.128 121.223 -0.104 0.000 2.452 661 L HA 0.208 4.513 4.340 -0.059 0.000 0.267 661 L C -1.882 174.894 176.870 -0.158 0.000 1.188 661 L CA -1.665 53.079 54.840 -0.159 0.000 0.821 661 L CB 0.175 42.048 42.059 -0.309 0.000 1.102 661 L HN -0.129 nan 8.230 nan 0.000 0.470 662 P HA 0.044 nan 4.420 nan 0.000 0.274 662 P C 0.622 177.841 177.300 -0.136 0.000 1.231 662 P CA -0.622 62.421 63.100 -0.095 0.000 0.790 662 P CB 0.932 32.593 31.700 -0.064 0.000 0.951 663 L N 2.378 123.552 121.223 -0.081 0.000 2.011 663 L HA -0.292 4.013 4.340 -0.059 0.000 0.225 663 L C 2.692 179.482 176.870 -0.133 0.000 1.084 663 L CA 2.771 57.579 54.840 -0.053 0.000 0.791 663 L CB -2.573 39.505 42.059 0.031 0.000 0.898 663 L HN 0.498 nan 8.230 nan 0.000 0.440 664 A N -1.299 121.462 122.820 -0.097 0.000 1.986 664 A HA -0.200 4.084 4.320 -0.059 0.000 0.220 664 A C 2.130 179.614 177.584 -0.166 0.000 1.171 664 A CA 1.669 53.644 52.037 -0.103 0.000 0.640 664 A CB -0.374 18.591 19.000 -0.057 0.000 0.811 664 A HN 0.491 nan 8.150 nan 0.000 0.451 665 E N -0.224 119.858 120.200 -0.196 0.000 2.285 665 E HA -0.111 4.203 4.350 -0.059 0.000 0.194 665 E C 2.142 178.508 176.600 -0.389 0.000 0.997 665 E CA 0.771 57.036 56.400 -0.225 0.000 0.845 665 E CB -0.271 29.321 29.700 -0.180 0.000 0.782 665 E HN 0.801 nan 8.360 nan 0.000 0.491 666 Q N 0.412 119.856 119.800 -0.593 0.000 2.016 666 Q HA -0.084 4.220 4.340 -0.059 0.000 0.200 666 Q C 2.348 177.808 176.000 -0.900 0.000 0.978 666 Q CA 0.983 56.180 55.803 -1.011 0.000 0.833 666 Q CB -0.201 27.842 28.738 -1.158 0.000 0.895 666 Q HN 0.104 nan 8.270 nan 0.000 0.427 667 R N 0.927 120.728 120.500 -1.165 0.000 2.112 667 R HA -0.253 4.051 4.340 -0.059 0.000 0.242 667 R C 2.109 178.322 176.300 -0.145 0.000 1.137 667 R CA 1.910 57.503 56.100 -0.844 0.000 0.944 667 R CB -0.083 29.966 30.300 -0.419 0.000 0.857 667 R HN 0.133 nan 8.270 nan 0.000 0.435 668 E N 0.171 120.303 120.200 -0.114 0.000 2.058 668 E HA -0.142 4.173 4.350 -0.059 0.000 0.194 668 E C 1.698 178.290 176.600 -0.014 0.000 0.997 668 E CA 1.826 58.219 56.400 -0.013 0.000 0.801 668 E CB -0.306 29.373 29.700 -0.035 0.000 0.746 668 E HN 0.466 nan 8.360 nan 0.000 0.450 669 A N -0.388 122.397 122.820 -0.059 0.000 2.076 669 A HA -0.198 4.087 4.320 -0.059 0.000 0.220 669 A C 2.458 180.207 177.584 0.275 0.000 1.160 669 A CA 1.441 53.510 52.037 0.053 0.000 0.653 669 A CB -0.909 17.976 19.000 -0.192 0.000 0.801 669 A HN 0.492 nan 8.150 nan 0.000 0.455 670 C N -0.240 119.216 119.300 0.261 0.000 2.435 670 C HA -0.047 4.377 4.460 -0.059 0.000 0.279 670 C C 2.601 177.726 174.990 0.225 0.000 1.321 670 C CA 1.057 60.278 59.018 0.339 0.000 1.752 670 C CB -1.007 26.885 27.740 0.255 0.000 1.959 670 C HN 0.770 nan 8.230 nan 0.000 0.500 671 R N 0.812 121.366 120.500 0.089 0.000 2.317 671 R HA 0.124 4.428 4.340 -0.059 0.000 0.208 671 R C 1.772 178.087 176.300 0.024 0.000 0.914 671 R CA 0.412 56.502 56.100 -0.016 0.000 1.060 671 R CB -0.274 29.869 30.300 -0.263 0.000 1.015 671 R HN 0.544 nan 8.270 nan 0.000 0.498 672 R N 0.582 121.142 120.500 0.099 0.000 2.167 672 R HA 0.281 4.585 4.340 -0.059 0.000 0.195 672 R C 0.136 176.530 176.300 0.156 0.000 1.027 672 R CA 0.567 56.730 56.100 0.105 0.000 1.114 672 R CB 0.382 30.741 30.300 0.100 0.000 1.075 672 R HN 0.161 nan 8.270 nan 0.000 0.538 673 A N 0.220 123.174 122.820 0.225 0.000 2.425 673 A HA 0.260 4.544 4.320 -0.059 0.000 0.249 673 A C 0.249 177.944 177.584 0.184 0.000 1.084 673 A CA -0.375 51.758 52.037 0.160 0.000 0.781 673 A CB 0.646 19.637 19.000 -0.016 0.000 1.019 673 A HN 0.597 nan 8.150 nan 0.000 0.490 674 C N 0.501 119.878 119.300 0.128 0.000 3.243 674 C HA 0.421 4.845 4.460 -0.059 0.000 0.286 674 C C 0.353 175.321 174.990 -0.037 0.000 1.373 674 C CA -0.318 58.728 59.018 0.047 0.000 1.749 674 C CB -1.423 26.252 27.740 -0.108 0.000 2.313 674 C HN 0.839 nan 8.230 nan 0.000 0.644 675 C N 1.380 120.656 119.300 -0.039 0.000 2.716 675 C HA 0.706 5.130 4.460 -0.059 0.000 0.366 675 C C -1.709 173.162 174.990 -0.199 0.000 1.073 675 C CA -0.510 58.497 59.018 -0.018 0.000 1.260 675 C CB -0.477 27.313 27.740 0.085 0.000 1.755 675 C HN 0.398 nan 8.230 nan 0.000 0.475 676 F N 4.694 124.681 119.950 0.062 0.000 2.477 676 F HA 0.747 5.239 4.527 -0.059 0.000 0.335 676 F C 0.534 176.351 175.800 0.029 0.000 1.130 676 F CA -0.110 57.914 58.000 0.040 0.000 0.948 676 F CB 1.785 40.747 39.000 -0.063 0.000 1.154 676 F HN 0.850 nan 8.300 nan 0.000 0.439 677 A N 2.373 125.298 122.820 0.176 0.000 2.346 677 A HA 0.803 5.087 4.320 -0.059 0.000 0.313 677 A C 0.356 178.019 177.584 0.132 0.000 1.140 677 A CA -0.919 51.197 52.037 0.131 0.000 0.826 677 A CB 1.013 20.068 19.000 0.093 0.000 1.332 677 A HN 0.755 nan 8.150 nan 0.000 0.457 678 R N -1.370 119.203 120.500 0.123 0.000 3.387 678 R HA -0.147 4.157 4.340 -0.059 0.000 0.254 678 R C -0.465 175.931 176.300 0.160 0.000 1.006 678 R CA 0.754 56.934 56.100 0.132 0.000 0.677 678 R CB -2.299 28.073 30.300 0.120 0.000 1.063 678 R HN 0.593 nan 8.270 nan 0.000 0.453 679 V N 0.823 120.835 119.914 0.163 0.000 2.532 679 V HA 0.205 4.290 4.120 -0.059 0.000 0.295 679 V C 0.860 177.080 176.094 0.211 0.000 1.041 679 V CA -0.522 61.908 62.300 0.218 0.000 0.926 679 V CB 1.855 33.746 31.823 0.114 0.000 0.992 679 V HN 0.216 nan 8.190 nan 0.000 0.457 680 E N 7.079 127.439 120.200 0.267 0.000 2.312 680 E HA 0.288 4.602 4.350 -0.059 0.000 0.259 680 E C -1.732 174.872 176.600 0.007 0.000 1.122 680 E CA -1.619 54.810 56.400 0.049 0.000 0.922 680 E CB 0.665 30.305 29.700 -0.101 0.000 1.109 680 E HN 0.478 nan 8.360 nan 0.000 0.442 681 P HA -0.187 nan 4.420 nan 0.000 0.222 681 P C 1.331 178.599 177.300 -0.053 0.000 1.147 681 P CA 1.358 64.442 63.100 -0.027 0.000 0.790 681 P CB 0.183 31.865 31.700 -0.029 0.000 0.780 682 S N -1.209 114.428 115.700 -0.106 0.000 2.414 682 S HA -0.149 4.285 4.470 -0.059 0.000 0.227 682 S C 1.904 176.454 174.600 -0.083 0.000 1.022 682 S CA 0.603 58.730 58.200 -0.122 0.000 0.958 682 S CB -1.548 61.543 63.200 -0.182 0.000 0.797 682 S HN 0.256 nan 8.310 nan 0.000 0.493 683 H N 1.164 120.195 119.070 -0.066 0.000 2.395 683 H HA 0.135 4.656 4.556 -0.059 0.000 0.299 683 H C 2.267 177.477 175.328 -0.196 0.000 1.070 683 H CA 1.298 57.272 56.048 -0.125 0.000 1.356 683 H CB 0.100 29.778 29.762 -0.140 0.000 1.401 683 H HN 0.389 nan 8.280 nan 0.000 0.524 684 K N 0.183 120.575 120.400 -0.015 0.000 1.991 684 K HA -0.177 4.108 4.320 -0.059 0.000 0.212 684 K C 2.524 179.072 176.600 -0.086 0.000 1.049 684 K CA 1.420 57.660 56.287 -0.079 0.000 0.932 684 K CB -0.321 32.157 32.500 -0.036 0.000 0.717 684 K HN 0.076 nan 8.250 nan 0.000 0.441 685 S N 1.260 116.924 115.700 -0.060 0.000 2.359 685 S HA -0.258 4.177 4.470 -0.059 0.000 0.222 685 S C 2.048 176.598 174.600 -0.083 0.000 1.038 685 S CA 1.900 60.062 58.200 -0.064 0.000 1.051 685 S CB -0.190 62.974 63.200 -0.060 0.000 0.944 685 S HN 0.260 nan 8.310 nan 0.000 0.433 686 K N 0.213 120.563 120.400 -0.082 0.000 2.034 686 K HA -0.145 4.139 4.320 -0.059 0.000 0.214 686 K C 2.130 178.679 176.600 -0.084 0.000 1.051 686 K CA 2.055 58.268 56.287 -0.123 0.000 0.931 686 K CB -0.454 32.041 32.500 -0.008 0.000 0.715 686 K HN 0.514 nan 8.250 nan 0.000 0.446 687 I N 0.426 120.949 120.570 -0.079 0.000 2.151 687 I HA -0.329 3.806 4.170 -0.059 0.000 0.243 687 I C 2.215 178.323 176.117 -0.016 0.000 1.080 687 I CA 1.186 62.424 61.300 -0.103 0.000 1.339 687 I CB -0.188 37.510 38.000 -0.503 0.000 1.039 687 I HN 0.047 nan 8.210 nan 0.000 0.409 688 V N 0.481 120.362 119.914 -0.055 0.000 2.343 688 V HA -0.310 3.775 4.120 -0.059 0.000 0.247 688 V C 2.456 178.553 176.094 0.005 0.000 1.051 688 V CA 2.175 64.465 62.300 -0.018 0.000 1.036 688 V CB -0.616 31.188 31.823 -0.032 0.000 0.654 688 V HN 0.510 nan 8.190 nan 0.000 0.451 689 E N -0.708 119.466 120.200 -0.043 0.000 2.051 689 E HA -0.251 4.064 4.350 -0.059 0.000 0.192 689 E C 2.250 178.845 176.600 -0.007 0.000 0.991 689 E CA 1.649 58.005 56.400 -0.074 0.000 0.799 689 E CB -0.235 29.357 29.700 -0.180 0.000 0.748 689 E HN 0.641 nan 8.360 nan 0.000 0.449 690 Y N 0.226 120.546 120.300 0.034 0.000 2.165 690 Y HA -0.206 4.308 4.550 -0.059 0.000 0.286 690 Y C 2.184 178.165 175.900 0.136 0.000 1.155 690 Y CA 0.887 59.026 58.100 0.066 0.000 1.164 690 Y CB -0.456 38.083 38.460 0.133 0.000 0.978 690 Y HN 0.179 nan 8.280 nan 0.000 0.513 691 L N -0.021 121.383 121.223 0.301 0.000 2.265 691 L HA -0.197 4.107 4.340 -0.059 0.000 0.215 691 L C 1.910 178.909 176.870 0.216 0.000 1.117 691 L CA 1.699 56.699 54.840 0.266 0.000 0.782 691 L CB -0.782 41.366 42.059 0.148 0.000 0.914 691 L HN 0.337 nan 8.230 nan 0.000 0.441 692 Q N -2.025 117.853 119.800 0.130 0.000 2.402 692 Q HA -0.005 4.300 4.340 -0.059 0.000 0.206 692 Q C 2.040 178.063 176.000 0.038 0.000 0.919 692 Q CA 0.865 56.711 55.803 0.071 0.000 0.923 692 Q CB 0.088 28.840 28.738 0.024 0.000 1.048 692 Q HN 0.595 nan 8.270 nan 0.000 0.515 693 S N -0.545 115.156 115.700 0.001 0.000 2.555 693 S HA -0.092 4.342 4.470 -0.059 0.000 0.230 693 S C 0.851 175.307 174.600 -0.240 0.000 0.978 693 S CA 0.518 58.639 58.200 -0.132 0.000 0.934 693 S CB -0.129 62.959 63.200 -0.185 0.000 0.766 693 S HN 0.340 nan 8.310 nan 0.000 0.533 694 Y N 1.666 121.994 120.300 0.047 0.000 2.658 694 Y HA 0.305 4.819 4.550 -0.059 0.000 0.276 694 Y C -0.086 175.825 175.900 0.019 0.000 1.167 694 Y CA -1.264 56.856 58.100 0.033 0.000 1.230 694 Y CB -0.347 38.135 38.460 0.037 0.000 1.144 694 Y HN 0.110 nan 8.280 nan 0.000 0.529 695 D N 1.197 121.660 120.400 0.106 0.000 2.686 695 D HA -0.226 4.378 4.640 -0.059 0.000 0.235 695 D C -0.204 176.137 176.300 0.068 0.000 1.160 695 D CA 0.995 55.033 54.000 0.065 0.000 0.645 695 D CB -0.707 40.121 40.800 0.046 0.000 1.039 695 D HN 0.519 nan 8.370 nan 0.000 0.423 696 E N -0.411 119.837 120.200 0.081 0.000 2.249 696 E HA 0.486 4.800 4.350 -0.059 0.000 0.263 696 E C 0.387 177.005 176.600 0.030 0.000 0.950 696 E CA -1.081 55.352 56.400 0.055 0.000 0.827 696 E CB 1.497 31.241 29.700 0.072 0.000 1.220 696 E HN -0.035 nan 8.360 nan 0.000 0.411 697 I N 2.324 122.901 120.570 0.011 0.000 2.291 697 I HA 0.153 4.288 4.170 -0.059 0.000 0.290 697 I C -0.053 176.066 176.117 0.002 0.000 1.050 697 I CA -0.100 61.198 61.300 -0.003 0.000 1.245 697 I CB 0.237 38.223 38.000 -0.023 0.000 1.405 697 I HN 0.323 nan 8.210 nan 0.000 0.478 698 T N 5.763 120.321 114.554 0.007 0.000 2.837 698 T HA 0.693 5.007 4.350 -0.059 0.000 0.285 698 T C 0.268 174.966 174.700 -0.002 0.000 0.984 698 T CA -0.492 61.614 62.100 0.010 0.000 1.049 698 T CB 1.793 70.672 68.868 0.019 0.000 0.947 698 T HN 0.677 nan 8.240 nan 0.000 0.472 699 A N 3.183 126.002 122.820 -0.002 0.000 2.340 699 A HA 0.861 5.146 4.320 -0.059 0.000 0.331 699 A C -0.622 176.963 177.584 0.002 0.000 1.140 699 A CA -0.849 51.182 52.037 -0.010 0.000 0.801 699 A CB 1.255 20.240 19.000 -0.023 0.000 1.234 699 A HN 0.737 nan 8.150 nan 0.000 0.469 700 M N 1.770 121.370 119.600 0.000 0.000 2.326 700 M HA 0.570 5.014 4.480 -0.059 0.000 0.306 700 M C -1.007 175.305 176.300 0.021 0.000 1.054 700 M CA 0.010 55.317 55.300 0.013 0.000 0.922 700 M CB 1.937 34.539 32.600 0.004 0.000 1.632 700 M HN 0.577 nan 8.290 nan 0.000 0.436 701 T N 2.933 117.517 114.554 0.051 0.000 2.809 701 T HA 0.922 5.236 4.350 -0.059 0.000 0.284 701 T C -0.149 174.602 174.700 0.085 0.000 0.992 701 T CA -0.711 61.434 62.100 0.075 0.000 0.957 701 T CB 1.340 70.296 68.868 0.146 0.000 0.942 701 T HN 0.883 nan 8.240 nan 0.000 0.439 702 G N 1.057 109.897 108.800 0.067 0.000 2.721 702 G HA2 0.632 4.557 3.960 -0.059 0.000 0.296 702 G HA3 0.632 4.557 3.960 -0.059 0.000 0.296 702 G C -0.728 174.206 174.900 0.057 0.000 1.383 702 G CA -0.698 44.438 45.100 0.061 0.000 0.788 702 G HN 0.578 nan 8.290 nan 0.000 0.500 703 D N -1.855 118.576 120.400 0.052 0.000 2.266 703 D HA 0.183 4.788 4.640 -0.059 0.000 0.304 703 D C 0.988 177.314 176.300 0.044 0.000 1.080 703 D CA 0.695 54.724 54.000 0.048 0.000 0.850 703 D CB 0.332 41.163 40.800 0.052 0.000 1.515 703 D HN 0.771 nan 8.370 nan 0.000 0.531 704 G N 0.957 109.785 108.800 0.046 0.000 2.521 704 G HA2 0.443 4.368 3.960 -0.059 0.000 0.323 704 G HA3 0.443 4.368 3.960 -0.059 0.000 0.323 704 G C 1.151 176.076 174.900 0.041 0.000 1.211 704 G CA -0.057 45.072 45.100 0.048 0.000 0.979 704 G HN 0.190 nan 8.290 nan 0.000 0.490 705 V N -0.894 119.046 119.914 0.044 0.000 2.970 705 V HA -0.076 4.009 4.120 -0.059 0.000 0.260 705 V C 1.818 177.928 176.094 0.027 0.000 1.100 705 V CA 1.626 63.945 62.300 0.032 0.000 1.122 705 V CB -0.691 31.152 31.823 0.033 0.000 0.721 705 V HN 0.707 nan 8.190 nan 0.000 0.483 706 N N -0.166 118.557 118.700 0.039 0.000 2.461 706 N HA -0.084 4.620 4.740 -0.059 0.000 0.188 706 N C 0.715 176.239 175.510 0.023 0.000 1.134 706 N CA 1.046 54.114 53.050 0.031 0.000 0.878 706 N CB -0.083 38.437 38.487 0.055 0.000 0.972 706 N HN 0.557 nan 8.380 nan 0.000 0.456 707 D N 0.002 120.416 120.400 0.023 0.000 2.441 707 D HA 0.241 4.846 4.640 -0.059 0.000 0.210 707 D C 1.666 177.971 176.300 0.008 0.000 1.102 707 D CA 0.120 54.130 54.000 0.018 0.000 0.840 707 D CB 0.550 41.367 40.800 0.028 0.000 0.990 707 D HN 0.263 nan 8.370 nan 0.000 0.505 708 A N 2.336 125.160 122.820 0.007 0.000 1.859 708 A HA -0.153 4.131 4.320 -0.059 0.000 0.217 708 A C -0.306 177.273 177.584 -0.008 0.000 1.198 708 A CA 1.624 53.662 52.037 0.001 0.000 0.629 708 A CB -1.580 17.420 19.000 0.000 0.000 0.830 708 A HN 0.142 nan 8.150 nan 0.000 0.446 709 P HA -0.219 nan 4.420 nan 0.000 0.213 709 P C 1.891 179.177 177.300 -0.023 0.000 1.176 709 P CA 2.331 65.417 63.100 -0.023 0.000 0.919 709 P CB -0.273 31.408 31.700 -0.031 0.000 0.791 710 A N -0.670 122.136 122.820 -0.023 0.000 1.884 710 A HA -0.245 4.039 4.320 -0.059 0.000 0.219 710 A C 2.306 179.881 177.584 -0.016 0.000 1.197 710 A CA 2.099 54.122 52.037 -0.023 0.000 0.637 710 A CB -1.874 17.113 19.000 -0.021 0.000 0.827 710 A HN 0.118 nan 8.150 nan 0.000 0.450 711 L N -1.026 120.193 121.223 -0.008 0.000 2.129 711 L HA -0.262 4.042 4.340 -0.059 0.000 0.212 711 L C 2.646 179.510 176.870 -0.011 0.000 1.087 711 L CA 1.943 56.779 54.840 -0.005 0.000 0.757 711 L CB -0.394 41.665 42.059 0.001 0.000 0.896 711 L HN 0.419 nan 8.230 nan 0.000 0.434 712 K N -0.287 120.105 120.400 -0.014 0.000 2.007 712 K HA -0.178 4.106 4.320 -0.059 0.000 0.206 712 K C 2.168 178.756 176.600 -0.020 0.000 1.047 712 K CA 0.942 57.220 56.287 -0.016 0.000 0.937 712 K CB -0.069 32.420 32.500 -0.017 0.000 0.718 712 K HN -0.063 nan 8.250 nan 0.000 0.438 713 K N 1.451 121.837 120.400 -0.024 0.000 2.074 713 K HA -0.101 4.184 4.320 -0.059 0.000 0.209 713 K C 0.572 177.159 176.600 -0.022 0.000 1.048 713 K CA 1.232 57.502 56.287 -0.028 0.000 0.926 713 K CB -0.531 31.947 32.500 -0.036 0.000 0.713 713 K HN 0.222 nan 8.250 nan 0.000 0.444 714 A N 0.523 123.332 122.820 -0.018 0.000 2.455 714 A HA -0.029 4.256 4.320 -0.059 0.000 0.244 714 A C 1.093 178.668 177.584 -0.015 0.000 1.099 714 A CA 0.295 52.324 52.037 -0.014 0.000 0.786 714 A CB -0.004 18.989 19.000 -0.011 0.000 1.051 714 A HN 0.391 nan 8.150 nan 0.000 0.508 715 E N -0.879 119.313 120.200 -0.014 0.000 2.072 715 E HA 0.045 4.359 4.350 -0.059 0.000 0.190 715 E C 0.330 176.919 176.600 -0.019 0.000 0.982 715 E CA 0.988 57.379 56.400 -0.016 0.000 0.803 715 E CB 0.177 29.866 29.700 -0.017 0.000 0.755 715 E HN 0.461 nan 8.360 nan 0.000 0.453 716 I N 0.039 120.597 120.570 -0.020 0.000 2.534 716 I HA 0.437 4.571 4.170 -0.059 0.000 0.288 716 I C -0.771 175.334 176.117 -0.021 0.000 1.077 716 I CA -0.645 60.641 61.300 -0.023 0.000 1.051 716 I CB 1.436 39.417 38.000 -0.030 0.000 1.234 716 I HN 0.027 nan 8.210 nan 0.000 0.425 717 G N 7.951 116.740 108.800 -0.019 0.000 2.343 717 G HA2 0.677 4.601 3.960 -0.059 0.000 0.319 717 G HA3 0.677 4.601 3.960 -0.059 0.000 0.319 717 G C -0.954 173.936 174.900 -0.017 0.000 1.126 717 G CA -0.418 44.674 45.100 -0.014 0.000 0.889 717 G HN 0.519 nan 8.290 nan 0.000 0.457 718 I N 1.758 122.319 120.570 -0.015 0.000 2.418 718 I HA 0.566 4.700 4.170 -0.059 0.000 0.287 718 I C 0.346 176.464 176.117 0.002 0.000 1.008 718 I CA -0.714 60.573 61.300 -0.021 0.000 1.104 718 I CB 2.119 40.088 38.000 -0.051 0.000 1.264 718 I HN 0.547 nan 8.210 nan 0.000 0.438 719 A N 7.169 129.992 122.820 0.007 0.000 2.337 719 A HA 0.842 5.127 4.320 -0.059 0.000 0.331 719 A C -0.299 177.303 177.584 0.030 0.000 1.137 719 A CA -0.768 51.282 52.037 0.023 0.000 0.807 719 A CB 1.288 20.299 19.000 0.019 0.000 1.250 719 A HN 0.586 nan 8.150 nan 0.000 0.468 720 M N 1.964 121.591 119.600 0.046 0.000 2.217 720 M HA 0.155 4.599 4.480 -0.059 0.000 0.354 720 M C 1.604 177.930 176.300 0.043 0.000 1.225 720 M CA 0.147 55.479 55.300 0.053 0.000 1.137 720 M CB 0.450 33.089 32.600 0.065 0.000 1.576 720 M HN 0.962 nan 8.290 nan 0.000 0.461 721 G N 1.727 110.554 108.800 0.044 0.000 2.440 721 G HA2 -0.191 3.733 3.960 -0.059 0.000 0.218 721 G HA3 -0.191 3.733 3.960 -0.059 0.000 0.218 721 G C 1.189 176.114 174.900 0.042 0.000 1.154 721 G CA 1.221 46.348 45.100 0.044 0.000 0.767 721 G HN 0.753 nan 8.290 nan 0.000 0.552 722 S N 0.298 116.025 115.700 0.045 0.000 2.710 722 S HA 0.486 4.920 4.470 -0.059 0.000 0.224 722 S C 1.103 175.726 174.600 0.038 0.000 0.948 722 S CA 0.166 58.390 58.200 0.040 0.000 0.949 722 S CB 0.199 63.426 63.200 0.044 0.000 0.778 722 S HN 0.492 nan 8.310 nan 0.000 0.498 723 G N 1.441 110.264 108.800 0.038 0.000 2.532 723 G HA2 0.498 4.423 3.960 -0.059 0.000 0.291 723 G HA3 0.498 4.423 3.960 -0.059 0.000 0.291 723 G C 0.112 175.030 174.900 0.030 0.000 1.349 723 G CA -0.200 44.922 45.100 0.037 0.000 1.038 723 G HN 0.485 nan 8.290 nan 0.000 0.518 724 T N -2.936 111.636 114.554 0.030 0.000 2.802 724 T HA 0.416 4.731 4.350 -0.059 0.000 0.305 724 T C 1.544 176.258 174.700 0.023 0.000 1.053 724 T CA 0.489 62.604 62.100 0.026 0.000 1.058 724 T CB 1.279 70.164 68.868 0.029 0.000 0.988 724 T HN 0.855 nan 8.240 nan 0.000 0.539 725 A N 1.172 124.004 122.820 0.020 0.000 1.898 725 A HA 0.102 4.387 4.320 -0.059 0.000 0.214 725 A C 2.464 180.058 177.584 0.017 0.000 1.183 725 A CA 1.259 53.307 52.037 0.018 0.000 0.622 725 A CB -1.223 17.786 19.000 0.016 0.000 0.824 725 A HN 1.226 nan 8.150 nan 0.000 0.444 726 V N -0.131 119.794 119.914 0.018 0.000 2.453 726 V HA -0.216 3.868 4.120 -0.059 0.000 0.252 726 V C 2.416 178.518 176.094 0.014 0.000 1.068 726 V CA 2.575 64.885 62.300 0.015 0.000 1.070 726 V CB -0.843 30.989 31.823 0.016 0.000 0.664 726 V HN 0.558 nan 8.190 nan 0.000 0.461 727 A N -0.120 122.711 122.820 0.018 0.000 1.897 727 A HA -0.102 4.183 4.320 -0.059 0.000 0.215 727 A C 2.246 179.839 177.584 0.015 0.000 1.181 727 A CA 1.649 53.697 52.037 0.018 0.000 0.620 727 A CB -0.522 18.493 19.000 0.025 0.000 0.821 727 A HN 0.619 nan 8.150 nan 0.000 0.443 728 K N -0.693 119.717 120.400 0.016 0.000 2.063 728 K HA -0.111 4.173 4.320 -0.059 0.000 0.208 728 K C 2.062 178.666 176.600 0.008 0.000 1.048 728 K CA 1.752 58.047 56.287 0.013 0.000 0.928 728 K CB -0.497 32.012 32.500 0.015 0.000 0.713 728 K HN 0.417 nan 8.250 nan 0.000 0.442 729 T N 1.052 115.611 114.554 0.008 0.000 2.720 729 T HA -0.149 4.165 4.350 -0.059 0.000 0.268 729 T C 1.567 176.267 174.700 0.001 0.000 1.037 729 T CA 1.522 63.625 62.100 0.005 0.000 1.144 729 T CB -0.158 68.713 68.868 0.006 0.000 0.864 729 T HN 0.329 nan 8.240 nan 0.000 0.444 730 A N 0.923 123.743 122.820 0.001 0.000 2.412 730 A HA 0.479 4.764 4.320 -0.059 0.000 0.253 730 A C 0.692 178.274 177.584 -0.003 0.000 1.334 730 A CA -0.239 51.797 52.037 -0.002 0.000 0.929 730 A CB 0.048 19.047 19.000 -0.002 0.000 0.983 730 A HN 0.289 nan 8.150 nan 0.000 0.508 731 S N -0.942 114.756 115.700 -0.003 0.000 2.542 731 S HA 0.404 4.838 4.470 -0.059 0.000 0.293 731 S C 0.205 174.799 174.600 -0.010 0.000 1.089 731 S CA -0.464 57.732 58.200 -0.006 0.000 0.961 731 S CB 1.702 64.901 63.200 -0.002 0.000 1.062 731 S HN 0.371 nan 8.310 nan 0.000 0.483 732 E N 1.016 121.207 120.200 -0.015 0.000 2.318 732 E HA 0.240 4.554 4.350 -0.059 0.000 0.193 732 E C 0.224 176.811 176.600 -0.020 0.000 0.998 732 E CA 0.575 56.965 56.400 -0.018 0.000 0.859 732 E CB 0.316 30.003 29.700 -0.022 0.000 0.812 732 E HN 0.494 nan 8.360 nan 0.000 0.492 733 M N -0.153 119.434 119.600 -0.021 0.000 2.575 733 M HA 0.442 4.887 4.480 -0.059 0.000 0.284 733 M C -1.771 174.519 176.300 -0.017 0.000 1.253 733 M CA -0.904 54.382 55.300 -0.024 0.000 0.861 733 M CB 2.122 34.700 32.600 -0.036 0.000 1.733 733 M HN -0.315 nan 8.290 nan 0.000 0.462 734 V N 4.303 124.209 119.914 -0.014 0.000 2.569 734 V HA 0.351 4.435 4.120 -0.059 0.000 0.301 734 V C -0.573 175.519 176.094 -0.004 0.000 1.044 734 V CA -0.602 61.696 62.300 -0.003 0.000 0.874 734 V CB 1.908 33.735 31.823 0.006 0.000 1.002 734 V HN 0.780 nan 8.190 nan 0.000 0.424 735 L N 4.483 125.706 121.223 0.000 0.000 2.399 735 L HA 0.289 4.594 4.340 -0.059 0.000 0.257 735 L C 1.876 178.759 176.870 0.022 0.000 1.236 735 L CA -0.049 54.792 54.840 0.002 0.000 1.144 735 L CB 0.276 42.337 42.059 0.003 0.000 1.379 735 L HN 0.866 nan 8.230 nan 0.000 0.414 736 A N 1.278 124.111 122.820 0.022 0.000 1.940 736 A HA -0.300 3.984 4.320 -0.059 0.000 0.221 736 A C 1.994 179.614 177.584 0.060 0.000 1.190 736 A CA 2.385 54.450 52.037 0.048 0.000 0.647 736 A CB -0.334 18.697 19.000 0.053 0.000 0.821 736 A HN 0.694 nan 8.150 nan 0.000 0.457 737 D N -1.985 118.438 120.400 0.037 0.000 2.219 737 D HA -0.088 4.516 4.640 -0.059 0.000 0.205 737 D C 0.158 176.490 176.300 0.053 0.000 0.970 737 D CA 1.257 55.282 54.000 0.042 0.000 0.851 737 D CB -0.058 40.749 40.800 0.012 0.000 0.943 737 D HN 0.382 nan 8.370 nan 0.000 0.488 738 D N -0.999 119.432 120.400 0.052 0.000 3.070 738 D HA -0.201 4.403 4.640 -0.059 0.000 0.210 738 D C -0.545 175.808 176.300 0.089 0.000 1.103 738 D CA 0.389 54.431 54.000 0.070 0.000 0.980 738 D CB -1.845 38.996 40.800 0.068 0.000 1.100 738 D HN 0.308 nan 8.370 nan 0.000 0.423 739 N N 0.542 119.283 118.700 0.068 0.000 2.399 739 N HA 0.049 4.753 4.740 -0.059 0.000 0.259 739 N C 0.859 176.431 175.510 0.104 0.000 1.160 739 N CA -0.057 53.041 53.050 0.081 0.000 0.946 739 N CB -0.171 38.341 38.487 0.042 0.000 1.156 739 N HN 0.026 nan 8.380 nan 0.000 0.489 740 F N 3.248 123.198 119.950 0.001 0.000 2.154 740 F HA -0.233 4.259 4.527 -0.059 0.000 0.301 740 F C 2.197 177.995 175.800 -0.004 0.000 1.087 740 F CA 1.392 59.391 58.000 -0.001 0.000 1.274 740 F CB -0.159 38.840 39.000 -0.002 0.000 1.009 740 F HN 0.485 nan 8.300 nan 0.000 0.485 741 S N -0.555 115.199 115.700 0.090 0.000 2.380 741 S HA -0.278 4.157 4.470 -0.059 0.000 0.229 741 S C 1.946 176.499 174.600 -0.077 0.000 1.043 741 S CA 1.929 60.136 58.200 0.011 0.000 1.038 741 S CB -0.868 62.357 63.200 0.041 0.000 0.872 741 S HN 0.503 nan 8.310 nan 0.000 0.456 742 T N 2.442 116.951 114.554 -0.076 0.000 2.760 742 T HA -0.108 4.206 4.350 -0.059 0.000 0.269 742 T C 1.621 176.240 174.700 -0.135 0.000 1.047 742 T CA 1.292 63.340 62.100 -0.085 0.000 1.139 742 T CB -0.532 68.296 68.868 -0.067 0.000 0.855 742 T HN 0.393 nan 8.240 nan 0.000 0.471 743 I N 0.642 121.069 120.570 -0.239 0.000 2.286 743 I HA -0.168 3.967 4.170 -0.059 0.000 0.248 743 I C 2.428 178.431 176.117 -0.190 0.000 1.115 743 I CA 0.861 61.998 61.300 -0.270 0.000 1.392 743 I CB -0.534 37.173 38.000 -0.489 0.000 1.065 743 I HN 0.119 nan 8.210 nan 0.000 0.418 744 V N 1.149 120.962 119.914 -0.169 0.000 2.261 744 V HA -0.313 3.771 4.120 -0.059 0.000 0.246 744 V C 2.767 178.821 176.094 -0.067 0.000 1.047 744 V CA 2.086 64.330 62.300 -0.093 0.000 1.015 744 V CB -1.192 30.600 31.823 -0.052 0.000 0.642 744 V HN 0.510 nan 8.190 nan 0.000 0.446 745 A N -0.006 122.778 122.820 -0.060 0.000 2.024 745 A HA -0.134 4.151 4.320 -0.059 0.000 0.220 745 A C 2.333 179.888 177.584 -0.050 0.000 1.164 745 A CA 2.095 54.105 52.037 -0.044 0.000 0.643 745 A CB -0.699 18.278 19.000 -0.038 0.000 0.806 745 A HN 0.626 nan 8.150 nan 0.000 0.451 746 A N -0.886 121.894 122.820 -0.066 0.000 2.066 746 A HA 0.143 4.427 4.320 -0.059 0.000 0.218 746 A C 2.111 179.662 177.584 -0.055 0.000 1.157 746 A CA 1.464 53.463 52.037 -0.062 0.000 0.670 746 A CB -0.483 18.471 19.000 -0.076 0.000 0.804 746 A HN 0.340 nan 8.150 nan 0.000 0.453 747 V N -0.354 119.527 119.914 -0.056 0.000 2.407 747 V HA -0.194 3.890 4.120 -0.059 0.000 0.245 747 V C 2.426 178.501 176.094 -0.032 0.000 1.041 747 V CA 2.024 64.296 62.300 -0.046 0.000 1.040 747 V CB -0.508 31.287 31.823 -0.047 0.000 0.671 747 V HN 0.771 nan 8.190 nan 0.000 0.455 748 E N 0.168 120.351 120.200 -0.028 0.000 2.038 748 E HA -0.269 4.045 4.350 -0.059 0.000 0.195 748 E C 2.270 178.862 176.600 -0.014 0.000 1.000 748 E CA 1.559 57.949 56.400 -0.016 0.000 0.803 748 E CB -0.084 29.608 29.700 -0.014 0.000 0.750 748 E HN 0.468 nan 8.360 nan 0.000 0.448 749 E N -0.256 119.930 120.200 -0.023 0.000 2.085 749 E HA -0.169 4.145 4.350 -0.059 0.000 0.194 749 E C 2.029 178.617 176.600 -0.020 0.000 0.994 749 E CA 1.187 57.570 56.400 -0.027 0.000 0.801 749 E CB -0.568 29.109 29.700 -0.039 0.000 0.743 749 E HN 0.469 nan 8.360 nan 0.000 0.453 750 G N 0.914 109.702 108.800 -0.020 0.000 2.418 750 G HA2 -0.277 3.647 3.960 -0.059 0.000 0.217 750 G HA3 -0.277 3.647 3.960 -0.059 0.000 0.217 750 G C 1.735 176.645 174.900 0.018 0.000 1.158 750 G CA 0.673 45.766 45.100 -0.011 0.000 0.771 750 G HN 0.203 nan 8.290 nan 0.000 0.545 751 R N 0.377 120.886 120.500 0.014 0.000 2.075 751 R HA 0.078 4.383 4.340 -0.059 0.000 0.232 751 R C 3.055 179.403 176.300 0.079 0.000 1.126 751 R CA 1.100 57.226 56.100 0.044 0.000 0.963 751 R CB -0.361 29.951 30.300 0.021 0.000 0.858 751 R HN 0.345 nan 8.270 nan 0.000 0.435 752 A N 1.335 124.178 122.820 0.039 0.000 1.902 752 A HA -0.137 4.147 4.320 -0.059 0.000 0.217 752 A C 2.159 179.757 177.584 0.023 0.000 1.181 752 A CA 1.179 53.232 52.037 0.028 0.000 0.623 752 A CB -0.521 18.480 19.000 0.002 0.000 0.818 752 A HN 0.179 nan 8.150 nan 0.000 0.443 753 I N -1.940 118.638 120.570 0.013 0.000 2.194 753 I HA -0.309 3.825 4.170 -0.059 0.000 0.246 753 I C 2.466 178.605 176.117 0.037 0.000 1.093 753 I CA 1.918 63.214 61.300 -0.006 0.000 1.355 753 I CB -0.378 37.612 38.000 -0.015 0.000 1.046 753 I HN 0.545 nan 8.210 nan 0.000 0.413 754 Y N 1.902 122.182 120.300 -0.034 0.000 2.133 754 Y HA -0.257 4.258 4.550 -0.058 0.000 0.287 754 Y C 2.284 178.182 175.900 -0.002 0.000 1.134 754 Y CA 1.868 59.956 58.100 -0.020 0.000 1.133 754 Y CB -0.642 37.809 38.460 -0.015 0.000 0.987 754 Y HN 0.190 nan 8.280 nan 0.000 0.502 755 N N -0.099 118.636 118.700 0.058 0.000 2.060 755 N HA -0.267 4.437 4.740 -0.059 0.000 0.195 755 N C 1.350 176.833 175.510 -0.045 0.000 1.028 755 N CA 1.378 54.426 53.050 -0.004 0.000 0.861 755 N CB -0.316 38.203 38.487 0.053 0.000 1.029 755 N HN 0.390 nan 8.380 nan 0.000 0.428 756 N N 0.897 119.580 118.700 -0.028 0.000 2.104 756 N HA -0.090 4.615 4.740 -0.059 0.000 0.190 756 N C 1.689 177.186 175.510 -0.021 0.000 1.024 756 N CA 0.972 54.015 53.050 -0.013 0.000 0.853 756 N CB -0.303 38.165 38.487 -0.031 0.000 1.008 756 N HN 0.230 nan 8.380 nan 0.000 0.424 757 M N 1.016 120.553 119.600 -0.104 0.000 2.106 757 M HA -0.134 4.311 4.480 -0.059 0.000 0.259 757 M C 1.646 177.902 176.300 -0.073 0.000 1.068 757 M CA 1.358 56.580 55.300 -0.130 0.000 1.100 757 M CB -0.663 31.811 32.600 -0.210 0.000 1.351 757 M HN 0.094 nan 8.290 nan 0.000 0.404 758 K N 0.032 120.325 120.400 -0.179 0.000 1.984 758 K HA -0.143 4.142 4.320 -0.059 0.000 0.209 758 K C 1.934 178.563 176.600 0.048 0.000 1.046 758 K CA 1.273 57.495 56.287 -0.108 0.000 0.934 758 K CB -0.732 31.669 32.500 -0.165 0.000 0.717 758 K HN 0.263 nan 8.250 nan 0.000 0.438 759 Q N 0.026 119.862 119.800 0.059 0.000 2.248 759 Q HA -0.129 4.176 4.340 -0.059 0.000 0.208 759 Q C 1.761 177.854 176.000 0.154 0.000 0.984 759 Q CA 1.206 57.069 55.803 0.099 0.000 0.875 759 Q CB -0.394 28.389 28.738 0.075 0.000 0.910 759 Q HN 0.328 nan 8.270 nan 0.000 0.433 760 F N -0.366 119.591 119.950 0.012 0.000 2.094 760 F HA -0.026 4.462 4.527 -0.065 0.000 0.291 760 F C 1.699 177.537 175.800 0.063 0.000 1.109 760 F CA 0.992 59.020 58.000 0.046 0.000 1.221 760 F CB -0.229 38.782 39.000 0.019 0.000 1.014 760 F HN -0.013 nan 8.300 nan 0.000 0.473 761 I N 0.561 121.345 120.570 0.356 0.000 2.423 761 I HA -0.292 3.842 4.170 -0.059 0.000 0.254 761 I C 2.619 178.668 176.117 -0.114 0.000 1.151 761 I CA 1.015 62.419 61.300 0.173 0.000 1.421 761 I CB -0.566 37.548 38.000 0.191 0.000 1.079 761 I HN 0.203 nan 8.210 nan 0.000 0.431 762 R N 0.629 121.093 120.500 -0.059 0.000 2.066 762 R HA -0.216 4.089 4.340 -0.059 0.000 0.232 762 R C 2.347 178.518 176.300 -0.214 0.000 1.131 762 R CA 1.798 57.807 56.100 -0.151 0.000 0.955 762 R CB -0.701 29.678 30.300 0.132 0.000 0.851 762 R HN 0.356 nan 8.270 nan 0.000 0.432 763 Y N 1.005 121.172 120.300 -0.221 0.000 2.092 763 Y HA -0.217 4.297 4.550 -0.060 0.000 0.282 763 Y C 2.149 177.865 175.900 -0.307 0.000 1.126 763 Y CA 1.647 59.606 58.100 -0.236 0.000 1.111 763 Y CB -0.754 37.571 38.460 -0.225 0.000 0.987 763 Y HN 0.015 nan 8.280 nan 0.000 0.489 764 L N -0.139 120.827 121.223 -0.429 0.000 2.129 764 L HA -0.252 4.053 4.340 -0.059 0.000 0.212 764 L C 2.045 178.661 176.870 -0.423 0.000 1.087 764 L CA 1.592 56.137 54.840 -0.493 0.000 0.757 764 L CB -0.726 41.073 42.059 -0.434 0.000 0.896 764 L HN 0.371 nan 8.230 nan 0.000 0.434 765 I N -1.841 118.471 120.570 -0.430 0.000 2.429 765 I HA -0.119 4.015 4.170 -0.059 0.000 0.247 765 I C 2.493 178.355 176.117 -0.425 0.000 1.099 765 I CA 1.280 62.325 61.300 -0.425 0.000 1.422 765 I CB -0.653 37.000 38.000 -0.578 0.000 1.112 765 I HN 0.274 nan 8.210 nan 0.000 0.430 766 S N -1.132 114.285 115.700 -0.472 0.000 2.500 766 S HA -0.068 4.366 4.470 -0.059 0.000 0.239 766 S C 1.882 176.306 174.600 -0.292 0.000 0.989 766 S CA 1.414 59.431 58.200 -0.306 0.000 0.951 766 S CB -0.360 62.719 63.200 -0.202 0.000 0.759 766 S HN 0.324 nan 8.310 nan 0.000 0.523 767 S N 2.154 117.614 115.700 -0.400 0.000 2.438 767 S HA 0.169 4.603 4.470 -0.059 0.000 0.220 767 S C 1.601 176.027 174.600 -0.290 0.000 1.045 767 S CA 0.312 58.279 58.200 -0.389 0.000 0.940 767 S CB -0.553 62.255 63.200 -0.653 0.000 0.863 767 S HN 0.492 nan 8.310 nan 0.000 0.539 768 N N 1.628 120.148 118.700 -0.300 0.000 2.417 768 N HA -0.055 4.650 4.740 -0.059 0.000 0.187 768 N C 1.349 176.761 175.510 -0.164 0.000 1.027 768 N CA 0.495 53.420 53.050 -0.208 0.000 0.891 768 N CB -0.407 37.964 38.487 -0.194 0.000 0.956 768 N HN 0.134 nan 8.380 nan 0.000 0.442 769 V N -0.358 119.448 119.914 -0.179 0.000 2.453 769 V HA -0.094 3.990 4.120 -0.059 0.000 0.247 769 V C 2.283 178.301 176.094 -0.127 0.000 1.048 769 V CA 1.904 64.114 62.300 -0.151 0.000 1.049 769 V CB -1.000 30.721 31.823 -0.170 0.000 0.672 769 V HN 0.374 nan 8.190 nan 0.000 0.457 770 G N -0.340 108.383 108.800 -0.128 0.000 2.432 770 G HA2 -0.214 3.710 3.960 -0.059 0.000 0.219 770 G HA3 -0.214 3.710 3.960 -0.059 0.000 0.219 770 G C 1.317 176.171 174.900 -0.077 0.000 1.135 770 G CA 0.599 45.639 45.100 -0.099 0.000 0.767 770 G HN 0.597 nan 8.290 nan 0.000 0.550 771 E N -0.127 120.023 120.200 -0.083 0.000 2.515 771 E HA 0.033 4.348 4.350 -0.059 0.000 0.201 771 E C 1.991 178.578 176.600 -0.021 0.000 1.071 771 E CA 0.222 56.591 56.400 -0.052 0.000 0.880 771 E CB 0.240 29.901 29.700 -0.065 0.000 0.828 771 E HN 0.451 nan 8.360 nan 0.000 0.540 772 V N -0.062 119.829 119.914 -0.038 0.000 2.911 772 V HA -0.084 4.001 4.120 -0.059 0.000 0.237 772 V C 1.971 178.070 176.094 0.009 0.000 1.156 772 V CA 0.736 63.022 62.300 -0.023 0.000 1.180 772 V CB 0.440 32.195 31.823 -0.114 0.000 0.932 772 V HN 0.232 nan 8.190 nan 0.000 0.483 773 V N -1.806 118.085 119.914 -0.037 0.000 3.590 773 V HA -0.058 4.026 4.120 -0.059 0.000 0.272 773 V C 1.736 177.849 176.094 0.032 0.000 1.233 773 V CA 1.601 63.898 62.300 -0.006 0.000 1.182 773 V CB -1.098 30.697 31.823 -0.048 0.000 0.901 773 V HN 0.602 nan 8.190 nan 0.000 0.485 774 C N -0.711 118.614 119.300 0.042 0.000 2.689 774 C HA 0.345 4.769 4.460 -0.059 0.000 0.336 774 C C 2.166 177.203 174.990 0.079 0.000 1.304 774 C CA 0.174 59.211 59.018 0.032 0.000 1.860 774 C CB -0.215 27.524 27.740 -0.002 0.000 2.405 774 C HN 0.515 nan 8.230 nan 0.000 0.557 775 I N 0.676 121.333 120.570 0.144 0.000 2.584 775 I HA 0.078 4.213 4.170 -0.059 0.000 0.255 775 I C 1.948 178.189 176.117 0.208 0.000 1.145 775 I CA 1.540 62.948 61.300 0.180 0.000 1.462 775 I CB -1.296 36.850 38.000 0.243 0.000 1.102 775 I HN 0.223 nan 8.210 nan 0.000 0.433 776 F N 0.395 120.354 119.950 0.015 0.000 2.317 776 F HA 0.047 4.534 4.527 -0.066 0.000 0.293 776 F C 2.328 178.135 175.800 0.012 0.000 1.085 776 F CA 0.532 58.543 58.000 0.019 0.000 1.390 776 F CB -0.702 38.309 39.000 0.018 0.000 1.077 776 F HN -0.114 nan 8.300 nan 0.000 0.517 777 L N 0.066 121.396 121.223 0.178 0.000 2.191 777 L HA -0.196 4.109 4.340 -0.059 0.000 0.212 777 L C 2.366 179.266 176.870 0.049 0.000 1.103 777 L CA 1.836 56.730 54.840 0.090 0.000 0.769 777 L CB -0.525 41.566 42.059 0.053 0.000 0.908 777 L HN 0.331 nan 8.230 nan 0.000 0.438 778 T N -3.537 111.041 114.554 0.041 0.000 2.937 778 T HA 0.047 4.361 4.350 -0.059 0.000 0.260 778 T C 1.671 176.368 174.700 -0.006 0.000 1.051 778 T CA 0.558 62.666 62.100 0.012 0.000 1.141 778 T CB -0.374 68.499 68.868 0.010 0.000 0.879 778 T HN 0.313 nan 8.240 nan 0.000 0.459 779 A N 0.593 123.392 122.820 -0.034 0.000 2.252 779 A HA 0.732 5.016 4.320 -0.059 0.000 0.207 779 A C 2.166 179.721 177.584 -0.049 0.000 1.194 779 A CA 0.797 52.786 52.037 -0.079 0.000 0.809 779 A CB -0.798 18.068 19.000 -0.222 0.000 0.814 779 A HN 0.700 nan 8.150 nan 0.000 0.482 780 A N -0.752 122.065 122.820 -0.006 0.000 2.011 780 A HA 0.347 4.631 4.320 -0.059 0.000 0.204 780 A C 1.591 179.187 177.584 0.020 0.000 1.520 780 A CA 0.327 52.374 52.037 0.016 0.000 0.819 780 A CB -0.250 18.776 19.000 0.045 0.000 1.087 780 A HN 0.316 nan 8.150 nan 0.000 0.526 781 L N -0.055 121.179 121.223 0.018 0.000 2.549 781 L HA 0.065 4.370 4.340 -0.059 0.000 0.229 781 L C 1.828 178.701 176.870 0.005 0.000 1.158 781 L CA 0.835 55.680 54.840 0.009 0.000 0.842 781 L CB -0.384 41.680 42.059 0.009 0.000 0.952 781 L HN 0.708 nan 8.230 nan 0.000 0.452 782 G N -0.227 108.589 108.800 0.025 0.000 2.199 782 G HA2 -0.279 3.645 3.960 -0.059 0.000 0.254 782 G HA3 -0.279 3.645 3.960 -0.059 0.000 0.254 782 G C 0.500 175.410 174.900 0.015 0.000 0.982 782 G CA 0.024 45.169 45.100 0.075 0.000 0.632 782 G HN 0.226 nan 8.290 nan 0.000 0.529 783 L N 2.054 123.235 121.223 -0.070 0.000 2.473 783 L HA 0.226 4.530 4.340 -0.059 0.000 0.280 783 L C -0.767 175.824 176.870 -0.465 0.000 1.266 783 L CA -0.961 53.766 54.840 -0.189 0.000 0.824 783 L CB -0.360 41.676 42.059 -0.037 0.000 1.091 783 L HN 0.123 nan 8.230 nan 0.000 0.534 784 P HA 0.059 nan 4.420 nan 0.000 0.274 784 P C -0.856 176.371 177.300 -0.123 0.000 1.256 784 P CA -0.572 62.152 63.100 -0.625 0.000 0.795 784 P CB 0.412 31.953 31.700 -0.264 0.000 1.038 785 E N 0.109 120.324 120.200 0.025 0.000 2.708 785 E HA -0.035 4.279 4.350 -0.059 0.000 0.260 785 E C 0.994 177.621 176.600 0.045 0.000 0.937 785 E CA 0.474 56.925 56.400 0.085 0.000 0.953 785 E CB 0.109 29.898 29.700 0.147 0.000 0.915 785 E HN 0.490 nan 8.360 nan 0.000 0.487 786 A N 4.246 127.085 122.820 0.031 0.000 2.063 786 A HA 0.217 4.501 4.320 -0.059 0.000 0.211 786 A C 0.714 178.298 177.584 0.001 0.000 1.177 786 A CA 0.424 52.463 52.037 0.003 0.000 0.759 786 A CB 0.505 19.506 19.000 0.001 0.000 0.857 786 A HN 0.483 nan 8.150 nan 0.000 0.468 787 L N -0.437 120.801 121.223 0.025 0.000 2.540 787 L HA 0.563 4.867 4.340 -0.059 0.000 0.256 787 L C -0.781 176.110 176.870 0.036 0.000 1.001 787 L CA -0.975 53.881 54.840 0.027 0.000 0.843 787 L CB 2.249 44.325 42.059 0.029 0.000 1.436 787 L HN 0.423 nan 8.230 nan 0.000 0.410 788 I N -2.549 118.040 120.570 0.031 0.000 3.133 788 I HA 0.585 4.720 4.170 -0.059 0.000 0.311 788 I C -2.282 173.815 176.117 -0.033 0.000 1.072 788 I CA -2.256 59.055 61.300 0.020 0.000 1.015 788 I CB 1.754 39.788 38.000 0.057 0.000 1.233 788 I HN 0.284 nan 8.210 nan 0.000 0.473 789 P HA -0.161 nan 4.420 nan 0.000 0.211 789 P C 1.782 179.064 177.300 -0.031 0.000 1.181 789 P CA 1.534 64.575 63.100 -0.098 0.000 0.929 789 P CB -0.074 31.548 31.700 -0.130 0.000 0.789 790 V N -0.899 118.989 119.914 -0.045 0.000 2.453 790 V HA -0.301 3.784 4.120 -0.059 0.000 0.252 790 V C 2.549 178.690 176.094 0.078 0.000 1.068 790 V CA 1.941 64.208 62.300 -0.056 0.000 1.070 790 V CB -1.482 30.189 31.823 -0.253 0.000 0.664 790 V HN 0.143 nan 8.190 nan 0.000 0.461 791 Q N -0.430 119.422 119.800 0.087 0.000 2.046 791 Q HA -0.104 4.201 4.340 -0.059 0.000 0.200 791 Q C 2.246 178.377 176.000 0.219 0.000 0.975 791 Q CA 1.648 57.562 55.803 0.184 0.000 0.836 791 Q CB -0.201 28.599 28.738 0.104 0.000 0.896 791 Q HN 0.595 nan 8.270 nan 0.000 0.428 792 L N -0.113 121.181 121.223 0.119 0.000 1.976 792 L HA -0.220 4.085 4.340 -0.059 0.000 0.209 792 L C 2.227 179.166 176.870 0.115 0.000 1.071 792 L CA 1.054 55.948 54.840 0.089 0.000 0.746 792 L CB -0.536 41.540 42.059 0.029 0.000 0.890 792 L HN 0.308 nan 8.230 nan 0.000 0.432 793 L N -1.168 120.124 121.223 0.116 0.000 2.137 793 L HA -0.320 3.985 4.340 -0.059 0.000 0.213 793 L C 2.440 179.437 176.870 0.212 0.000 1.085 793 L CA 1.586 56.504 54.840 0.129 0.000 0.760 793 L CB -0.672 41.462 42.059 0.126 0.000 0.893 793 L HN 0.584 nan 8.230 nan 0.000 0.434 794 W N 0.817 122.199 121.300 0.137 0.000 2.407 794 W HA -0.142 4.479 4.660 -0.065 0.000 0.305 794 W C 2.216 178.797 176.519 0.104 0.000 1.196 794 W CA 1.745 59.206 57.345 0.194 0.000 1.311 794 W CB -0.077 29.579 29.460 0.327 0.000 1.135 794 W HN -0.031 nan 8.180 nan 0.000 0.514 795 V N 1.551 121.546 119.914 0.134 0.000 2.469 795 V HA -0.361 3.723 4.120 -0.059 0.000 0.251 795 V C 2.109 178.126 176.094 -0.128 0.000 1.064 795 V CA 2.360 64.639 62.300 -0.035 0.000 1.066 795 V CB -1.668 30.169 31.823 0.023 0.000 0.667 795 V HN 0.227 nan 8.190 nan 0.000 0.461 796 N N 1.020 119.675 118.700 -0.075 0.000 2.028 796 N HA -0.179 4.525 4.740 -0.059 0.000 0.194 796 N C 1.797 177.229 175.510 -0.129 0.000 1.050 796 N CA 1.991 54.993 53.050 -0.080 0.000 0.848 796 N CB -0.460 38.009 38.487 -0.030 0.000 1.038 796 N HN 0.484 nan 8.380 nan 0.000 0.423 797 L N -0.255 120.870 121.223 -0.163 0.000 2.349 797 L HA -0.055 4.249 4.340 -0.059 0.000 0.220 797 L C 0.906 177.583 176.870 -0.321 0.000 1.130 797 L CA 0.952 55.666 54.840 -0.210 0.000 0.791 797 L CB 0.118 42.051 42.059 -0.209 0.000 0.918 797 L HN 0.113 nan 8.230 nan 0.000 0.444 798 V N -1.536 118.128 119.914 -0.417 0.000 3.621 798 V HA -0.005 4.080 4.120 -0.059 0.000 0.263 798 V C 2.083 178.062 176.094 -0.191 0.000 1.272 798 V CA 1.140 63.211 62.300 -0.382 0.000 1.080 798 V CB 0.327 31.797 31.823 -0.588 0.000 0.816 798 V HN 0.681 nan 8.190 nan 0.000 0.451 799 T N -4.216 110.255 114.554 -0.138 0.000 2.978 799 T HA 0.086 4.401 4.350 -0.059 0.000 0.248 799 T C 0.842 175.568 174.700 0.043 0.000 1.018 799 T CA 0.423 62.508 62.100 -0.026 0.000 1.026 799 T CB 0.131 68.957 68.868 -0.071 0.000 1.032 799 T HN 0.275 nan 8.240 nan 0.000 0.485 800 D N 1.442 121.825 120.400 -0.029 0.000 2.424 800 D HA 0.408 5.012 4.640 -0.059 0.000 0.220 800 D C 1.185 177.488 176.300 0.005 0.000 1.150 800 D CA -0.023 53.970 54.000 -0.011 0.000 0.831 800 D CB 0.456 41.227 40.800 -0.047 0.000 0.981 800 D HN 0.574 nan 8.370 nan 0.000 0.500 801 G N -0.270 108.520 108.800 -0.016 0.000 3.182 801 G HA2 0.197 4.122 3.960 -0.059 0.000 0.167 801 G HA3 0.197 4.122 3.960 -0.059 0.000 0.167 801 G C 1.179 176.080 174.900 0.001 0.000 1.537 801 G CA -0.461 44.630 45.100 -0.014 0.000 1.046 801 G HN 0.110 nan 8.290 nan 0.000 0.580 802 L N 0.956 122.163 121.223 -0.026 0.000 2.081 802 L HA -0.097 4.208 4.340 -0.059 0.000 0.212 802 L C -0.120 176.726 176.870 -0.041 0.000 1.080 802 L CA 1.417 56.236 54.840 -0.035 0.000 0.754 802 L CB -1.362 40.662 42.059 -0.059 0.000 0.893 802 L HN 0.278 nan 8.230 nan 0.000 0.433 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 1.363 178.546 177.300 -0.195 0.000 1.146 803 P CA 1.716 64.745 63.100 -0.119 0.000 0.808 803 P CB 0.051 31.683 31.700 -0.114 0.000 0.779 804 A N -1.247 121.510 122.820 -0.105 0.000 1.878 804 A HA -0.083 4.201 4.320 -0.059 0.000 0.213 804 A C 2.178 179.903 177.584 0.234 0.000 1.192 804 A CA 1.868 53.855 52.037 -0.084 0.000 0.619 804 A CB -1.652 17.322 19.000 -0.043 0.000 0.837 804 A HN 0.108 nan 8.150 nan 0.000 0.446 805 T N 0.741 115.434 114.554 0.232 0.000 2.746 805 T HA -0.047 4.267 4.350 -0.059 0.000 0.267 805 T C 2.094 176.915 174.700 0.202 0.000 1.039 805 T CA 1.474 63.711 62.100 0.227 0.000 1.142 805 T CB -0.453 68.479 68.868 0.106 0.000 0.866 805 T HN 0.561 nan 8.240 nan 0.000 0.444 806 A N 0.883 123.749 122.820 0.076 0.000 2.186 806 A HA 0.021 4.306 4.320 -0.059 0.000 0.219 806 A C 2.035 179.745 177.584 0.210 0.000 1.159 806 A CA 0.824 52.893 52.037 0.054 0.000 0.680 806 A CB -0.680 18.305 19.000 -0.024 0.000 0.787 806 A HN 0.353 nan 8.150 nan 0.000 0.467 807 L N -0.668 120.661 121.223 0.176 0.000 2.376 807 L HA 0.042 4.346 4.340 -0.059 0.000 0.219 807 L C 2.301 179.285 176.870 0.189 0.000 1.133 807 L CA 1.414 56.347 54.840 0.155 0.000 0.816 807 L CB -0.658 41.486 42.059 0.141 0.000 0.933 807 L HN 0.359 nan 8.230 nan 0.000 0.449 808 G N -2.486 106.450 108.800 0.226 0.000 2.848 808 G HA2 -0.151 3.774 3.960 -0.059 0.000 0.208 808 G HA3 -0.151 3.774 3.960 -0.059 0.000 0.208 808 G C 0.948 175.776 174.900 -0.120 0.000 1.152 808 G CA -0.038 45.078 45.100 0.026 0.000 0.789 808 G HN 0.385 nan 8.290 nan 0.000 0.531 809 F N 0.190 120.132 119.950 -0.014 0.000 2.639 809 F HA 0.311 4.801 4.527 -0.061 0.000 0.302 809 F C 0.344 176.178 175.800 0.058 0.000 1.097 809 F CA -1.033 56.972 58.000 0.008 0.000 1.294 809 F CB 0.284 39.286 39.000 0.003 0.000 1.027 809 F HN -0.125 nan 8.300 nan 0.000 0.550 810 N N 2.331 121.120 118.700 0.149 0.000 2.497 810 N HA 0.146 4.851 4.740 -0.059 0.000 0.268 810 N C -2.436 173.111 175.510 0.062 0.000 1.171 810 N CA -1.232 51.878 53.050 0.101 0.000 0.948 810 N CB 0.200 38.727 38.487 0.065 0.000 1.069 810 N HN -0.083 nan 8.380 nan 0.000 0.460 811 P HA 0.108 nan 4.420 nan 0.000 0.271 811 P C -2.378 174.936 177.300 0.023 0.000 1.233 811 P CA -0.720 62.405 63.100 0.042 0.000 0.789 811 P CB -0.012 31.711 31.700 0.039 0.000 0.951 812 P HA 0.110 nan 4.420 nan 0.000 0.277 812 P C -0.534 176.775 177.300 0.014 0.000 1.240 812 P CA -0.073 63.036 63.100 0.016 0.000 0.798 812 P CB 0.673 32.381 31.700 0.013 0.000 0.979 813 D N 1.256 121.666 120.400 0.017 0.000 2.390 813 D HA -0.008 4.597 4.640 -0.059 0.000 0.236 813 D C 1.345 177.650 176.300 0.009 0.000 1.189 813 D CA 0.140 54.147 54.000 0.013 0.000 0.887 813 D CB 0.868 41.679 40.800 0.020 0.000 1.198 813 D HN 0.367 nan 8.370 nan 0.000 0.444 814 L N 1.154 122.380 121.223 0.005 0.000 2.749 814 L HA -0.096 4.209 4.340 -0.059 0.000 0.245 814 L C 0.916 177.789 176.870 0.005 0.000 1.156 814 L CA 0.713 55.556 54.840 0.004 0.000 0.890 814 L CB -0.304 41.756 42.059 0.001 0.000 1.036 814 L HN 0.403 nan 8.230 nan 0.000 0.441 815 D N -1.995 118.409 120.400 0.007 0.000 2.755 815 D HA -0.061 4.543 4.640 -0.059 0.000 0.293 815 D C 1.206 177.510 176.300 0.007 0.000 1.642 815 D CA -0.205 53.798 54.000 0.005 0.000 0.825 815 D CB -0.722 40.079 40.800 0.002 0.000 1.303 815 D HN 0.214 nan 8.370 nan 0.000 0.434 816 I N -0.029 120.547 120.570 0.011 0.000 2.567 816 I HA -0.114 4.020 4.170 -0.059 0.000 0.257 816 I C 0.768 176.890 176.117 0.008 0.000 1.184 816 I CA 1.046 62.355 61.300 0.015 0.000 1.451 816 I CB 0.195 38.207 38.000 0.019 0.000 1.089 816 I HN -0.060 nan 8.210 nan 0.000 0.441 817 M N -0.197 119.406 119.600 0.005 0.000 2.560 817 M HA 0.164 4.608 4.480 -0.059 0.000 0.297 817 M C -0.219 176.081 176.300 0.000 0.000 1.201 817 M CA 0.494 55.795 55.300 0.001 0.000 0.973 817 M CB -0.520 32.080 32.600 0.000 0.000 1.401 817 M HN 0.068 nan 8.290 nan 0.000 0.497 818 D N -0.226 120.174 120.400 -0.000 0.000 2.540 818 D HA 0.162 4.767 4.640 -0.059 0.000 0.229 818 D C 0.410 176.707 176.300 -0.005 0.000 1.250 818 D CA -0.006 53.993 54.000 -0.002 0.000 0.817 818 D CB 1.038 41.837 40.800 -0.002 0.000 1.060 818 D HN 0.130 nan 8.370 nan 0.000 0.508 819 R N 1.642 122.139 120.500 -0.005 0.000 2.599 819 R HA 0.438 4.743 4.340 -0.059 0.000 0.295 819 R C -2.620 173.673 176.300 -0.010 0.000 0.963 819 R CA -1.907 54.188 56.100 -0.008 0.000 0.883 819 R CB 1.476 31.774 30.300 -0.004 0.000 1.171 819 R HN -0.189 nan 8.270 nan 0.000 0.450 820 P HA 0.016 nan 4.420 nan 0.000 0.269 820 P C -2.482 174.805 177.300 -0.021 0.000 1.211 820 P CA -0.692 62.398 63.100 -0.017 0.000 0.781 820 P CB -0.142 31.547 31.700 -0.019 0.000 0.877 821 P HA 0.100 nan 4.420 nan 0.000 0.269 821 P C 0.058 177.329 177.300 -0.049 0.000 1.209 821 P CA 0.005 63.082 63.100 -0.039 0.000 0.776 821 P CB 0.575 32.252 31.700 -0.038 0.000 0.876 822 R N 2.079 122.534 120.500 -0.076 0.000 2.442 822 R HA 0.179 4.483 4.340 -0.059 0.000 0.291 822 R C -0.164 176.079 176.300 -0.094 0.000 1.069 822 R CA -0.211 55.834 56.100 -0.092 0.000 1.022 822 R CB 0.084 30.285 30.300 -0.165 0.000 0.976 822 R HN 0.425 nan 8.270 nan 0.000 0.443 823 S N 6.177 121.840 115.700 -0.062 0.000 2.552 823 S HA 0.020 4.454 4.470 -0.059 0.000 0.289 823 S C -1.693 172.868 174.600 -0.066 0.000 1.304 823 S CA -0.936 57.236 58.200 -0.047 0.000 1.063 823 S CB 1.117 64.302 63.200 -0.026 0.000 0.848 823 S HN 0.622 nan 8.310 nan 0.000 0.499 824 P HA -0.017 nan 4.420 nan 0.000 0.223 824 P C 0.970 178.247 177.300 -0.038 0.000 1.151 824 P CA 0.766 63.832 63.100 -0.057 0.000 0.787 824 P CB 0.230 31.908 31.700 -0.036 0.000 0.788 825 K N -0.351 120.036 120.400 -0.023 0.000 2.361 825 K HA 0.030 4.314 4.320 -0.059 0.000 0.196 825 K C 0.723 177.320 176.600 -0.004 0.000 1.039 825 K CA 0.100 56.381 56.287 -0.009 0.000 1.001 825 K CB -0.388 32.111 32.500 -0.002 0.000 0.795 825 K HN 0.342 nan 8.250 nan 0.000 0.495 826 E N 3.611 123.804 120.200 -0.012 0.000 2.608 826 E HA -0.044 4.270 4.350 -0.059 0.000 0.259 826 E C -2.029 174.585 176.600 0.024 0.000 0.951 826 E CA -1.126 55.277 56.400 0.004 0.000 0.945 826 E CB 0.436 30.134 29.700 -0.003 0.000 0.916 826 E HN -0.034 nan 8.360 nan 0.000 0.477 827 P HA -0.077 nan 4.420 nan 0.000 0.271 827 P C 0.582 177.918 177.300 0.060 0.000 1.216 827 P CA -0.278 62.844 63.100 0.037 0.000 0.776 827 P CB 0.960 32.675 31.700 0.026 0.000 0.881 828 L N 4.114 125.363 121.223 0.043 0.000 2.013 828 L HA -0.067 4.238 4.340 -0.059 0.000 0.212 828 L C 0.957 177.819 176.870 -0.013 0.000 1.073 828 L CA 1.867 56.725 54.840 0.030 0.000 0.753 828 L CB -0.508 41.496 42.059 -0.092 0.000 0.890 828 L HN 0.344 nan 8.230 nan 0.000 0.432 829 I N 0.140 120.690 120.570 -0.032 0.000 2.411 829 I HA 0.223 4.357 4.170 -0.059 0.000 0.284 829 I C 0.260 176.386 176.117 0.014 0.000 1.012 829 I CA -0.556 60.740 61.300 -0.007 0.000 1.119 829 I CB 1.214 39.222 38.000 0.013 0.000 1.261 829 I HN 0.094 nan 8.210 nan 0.000 0.448 830 S N 3.744 119.467 115.700 0.037 0.000 2.593 830 S HA 0.271 4.706 4.470 -0.059 0.000 0.269 830 S C 1.384 176.028 174.600 0.072 0.000 1.334 830 S CA -0.045 58.196 58.200 0.068 0.000 1.015 830 S CB 1.572 64.843 63.200 0.118 0.000 0.912 830 S HN 0.784 nan 8.310 nan 0.000 0.541 831 G N 1.130 109.992 108.800 0.102 0.000 2.459 831 G HA2 -0.244 3.680 3.960 -0.059 0.000 0.217 831 G HA3 -0.244 3.680 3.960 -0.059 0.000 0.217 831 G C 1.182 176.204 174.900 0.204 0.000 1.183 831 G CA 0.769 45.950 45.100 0.135 0.000 0.776 831 G HN 0.938 nan 8.290 nan 0.000 0.552 832 W N 0.512 121.835 121.300 0.039 0.000 2.341 832 W HA -0.111 4.515 4.660 -0.057 0.000 0.283 832 W C 1.749 178.305 176.519 0.062 0.000 1.215 832 W CA 0.805 58.187 57.345 0.062 0.000 1.211 832 W CB -0.136 29.342 29.460 0.030 0.000 1.131 832 W HN 0.176 nan 8.180 nan 0.000 0.552 833 L N 0.010 121.164 121.223 -0.116 0.000 2.072 833 L HA -0.125 4.180 4.340 -0.059 0.000 0.205 833 L C 2.402 178.741 176.870 -0.884 0.000 1.079 833 L CA 1.662 56.207 54.840 -0.492 0.000 0.752 833 L CB -1.799 40.046 42.059 -0.356 0.000 0.906 833 L HN -0.102 nan 8.230 nan 0.000 0.436 834 F N -0.920 118.640 119.950 -0.650 0.000 2.250 834 F HA -0.289 4.201 4.527 -0.062 0.000 0.301 834 F C 2.333 177.979 175.800 -0.257 0.000 1.077 834 F CA 1.064 58.785 58.000 -0.466 0.000 1.348 834 F CB -0.341 38.582 39.000 -0.128 0.000 1.040 834 F HN 0.140 nan 8.300 nan 0.000 0.509 835 F N 0.957 120.719 119.950 -0.314 0.000 2.084 835 F HA -0.117 4.375 4.527 -0.058 0.000 0.296 835 F C 2.634 178.162 175.800 -0.453 0.000 1.111 835 F CA 1.851 59.649 58.000 -0.337 0.000 1.224 835 F CB -0.723 38.092 39.000 -0.309 0.000 0.991 835 F HN -0.129 nan 8.300 nan 0.000 0.471 836 R N -0.228 119.904 120.500 -0.612 0.000 2.117 836 R HA -0.237 4.068 4.340 -0.059 0.000 0.243 836 R C 2.114 178.235 176.300 -0.297 0.000 1.143 836 R CA 2.177 57.947 56.100 -0.550 0.000 0.968 836 R CB -1.206 28.825 30.300 -0.449 0.000 0.863 836 R HN 0.392 nan 8.270 nan 0.000 0.444 837 Y N -0.484 119.570 120.300 -0.411 0.000 2.133 837 Y HA -0.131 4.385 4.550 -0.055 0.000 0.287 837 Y C 2.198 177.823 175.900 -0.458 0.000 1.134 837 Y CA 1.031 58.901 58.100 -0.383 0.000 1.133 837 Y CB -0.737 37.504 38.460 -0.365 0.000 0.987 837 Y HN 0.018 nan 8.280 nan 0.000 0.502 838 M N -0.245 119.091 119.600 -0.439 0.000 2.175 838 M HA -0.082 4.363 4.480 -0.059 0.000 0.264 838 M C 2.412 178.476 176.300 -0.394 0.000 1.063 838 M CA 1.338 56.382 55.300 -0.427 0.000 1.119 838 M CB -1.813 30.504 32.600 -0.472 0.000 1.377 838 M HN 0.247 nan 8.290 nan 0.000 0.415 839 A N 1.132 123.598 122.820 -0.590 0.000 1.851 839 A HA -0.164 4.120 4.320 -0.059 0.000 0.216 839 A C 2.212 179.627 177.584 -0.282 0.000 1.195 839 A CA 1.620 53.320 52.037 -0.561 0.000 0.622 839 A CB -0.667 17.817 19.000 -0.861 0.000 0.831 839 A HN 0.357 nan 8.150 nan 0.000 0.444 840 I N -0.350 120.073 120.570 -0.245 0.000 2.162 840 I HA -0.139 3.995 4.170 -0.059 0.000 0.238 840 I C 2.828 178.894 176.117 -0.085 0.000 1.076 840 I CA 1.581 62.804 61.300 -0.128 0.000 1.353 840 I CB -2.100 35.825 38.000 -0.125 0.000 1.063 840 I HN 0.375 nan 8.210 nan 0.000 0.408 841 G N 0.688 109.402 108.800 -0.144 0.000 2.517 841 G HA2 -0.243 3.681 3.960 -0.059 0.000 0.222 841 G HA3 -0.243 3.681 3.960 -0.059 0.000 0.222 841 G C 1.657 176.491 174.900 -0.109 0.000 1.109 841 G CA 1.146 46.160 45.100 -0.143 0.000 0.746 841 G HN 0.524 nan 8.290 nan 0.000 0.576 842 G N -0.407 108.331 108.800 -0.102 0.000 2.404 842 G HA2 -0.118 3.806 3.960 -0.059 0.000 0.213 842 G HA3 -0.118 3.806 3.960 -0.059 0.000 0.213 842 G C 1.553 176.437 174.900 -0.027 0.000 1.189 842 G CA 0.892 45.949 45.100 -0.073 0.000 0.796 842 G HN 0.417 nan 8.290 nan 0.000 0.532 843 Y N 2.087 122.321 120.300 -0.109 0.000 2.097 843 Y HA -0.250 4.265 4.550 -0.060 0.000 0.282 843 Y C 2.898 178.755 175.900 -0.072 0.000 1.152 843 Y CA 2.642 60.694 58.100 -0.081 0.000 1.136 843 Y CB -0.436 37.974 38.460 -0.083 0.000 0.975 843 Y HN 0.112 nan 8.280 nan 0.000 0.498 844 V N -1.107 118.850 119.914 0.071 0.000 2.392 844 V HA -0.175 3.910 4.120 -0.059 0.000 0.249 844 V C 2.338 178.347 176.094 -0.141 0.000 1.059 844 V CA 2.076 64.353 62.300 -0.040 0.000 1.051 844 V CB -1.867 29.957 31.823 0.001 0.000 0.658 844 V HN 0.485 nan 8.190 nan 0.000 0.455 845 G N -0.391 108.340 108.800 -0.115 0.000 2.421 845 G HA2 0.036 3.961 3.960 -0.059 0.000 0.217 845 G HA3 0.036 3.961 3.960 -0.059 0.000 0.217 845 G C 1.607 176.438 174.900 -0.116 0.000 1.143 845 G CA 0.923 45.964 45.100 -0.098 0.000 0.784 845 G HN 0.896 nan 8.290 nan 0.000 0.541 846 A N 0.629 123.347 122.820 -0.171 0.000 2.030 846 A HA 0.586 4.870 4.320 -0.059 0.000 0.215 846 A C 2.522 179.951 177.584 -0.258 0.000 1.164 846 A CA 1.371 53.303 52.037 -0.175 0.000 0.697 846 A CB -0.246 18.659 19.000 -0.158 0.000 0.827 846 A HN 0.577 nan 8.150 nan 0.000 0.457 847 A N -0.900 121.661 122.820 -0.432 0.000 2.209 847 A HA 0.099 4.384 4.320 -0.059 0.000 0.212 847 A C 1.982 179.430 177.584 -0.228 0.000 1.158 847 A CA 1.772 53.534 52.037 -0.458 0.000 0.742 847 A CB -0.593 17.963 19.000 -0.740 0.000 0.790 847 A HN 0.368 nan 8.150 nan 0.000 0.472 848 T N -0.715 113.740 114.554 -0.166 0.000 2.953 848 T HA -0.026 4.288 4.350 -0.059 0.000 0.247 848 T C 2.044 176.704 174.700 -0.067 0.000 1.029 848 T CA 1.392 63.431 62.100 -0.103 0.000 1.144 848 T CB -0.427 68.392 68.868 -0.081 0.000 0.870 848 T HN 0.511 nan 8.240 nan 0.000 0.446 849 V N 0.846 120.727 119.914 -0.055 0.000 2.427 849 V HA 0.103 4.187 4.120 -0.059 0.000 0.248 849 V C 2.503 178.602 176.094 0.009 0.000 1.051 849 V CA 1.924 64.214 62.300 -0.016 0.000 1.048 849 V CB -1.561 30.258 31.823 -0.008 0.000 0.666 849 V HN 0.452 nan 8.190 nan 0.000 0.456 850 G N -0.610 108.180 108.800 -0.016 0.000 2.559 850 G HA2 0.116 4.041 3.960 -0.059 0.000 0.216 850 G HA3 0.116 4.041 3.960 -0.059 0.000 0.216 850 G C 1.466 176.415 174.900 0.081 0.000 1.126 850 G CA 0.916 46.031 45.100 0.026 0.000 0.778 850 G HN 0.883 nan 8.290 nan 0.000 0.543 851 A N 0.561 123.401 122.820 0.033 0.000 1.973 851 A HA 0.615 4.900 4.320 -0.059 0.000 0.210 851 A C 2.625 180.285 177.584 0.127 0.000 1.200 851 A CA 1.354 53.424 52.037 0.054 0.000 0.707 851 A CB -0.410 18.553 19.000 -0.062 0.000 0.862 851 A HN 0.509 nan 8.150 nan 0.000 0.461 852 A N 0.008 122.852 122.820 0.040 0.000 2.015 852 A HA 0.266 4.550 4.320 -0.059 0.000 0.219 852 A C 2.328 179.942 177.584 0.050 0.000 1.163 852 A CA 1.827 53.848 52.037 -0.025 0.000 0.646 852 A CB -0.643 18.321 19.000 -0.059 0.000 0.806 852 A HN 0.868 nan 8.150 nan 0.000 0.448 853 A N -1.531 121.386 122.820 0.161 0.000 1.874 853 A HA -0.014 4.270 4.320 -0.059 0.000 0.214 853 A C 1.923 179.668 177.584 0.268 0.000 1.189 853 A CA 1.198 53.381 52.037 0.243 0.000 0.615 853 A CB -0.973 18.131 19.000 0.174 0.000 0.830 853 A HN 0.790 nan 8.150 nan 0.000 0.443 854 W N -0.270 121.080 121.300 0.084 0.000 2.290 854 W HA -0.299 4.325 4.660 -0.060 0.000 0.318 854 W C 2.001 178.585 176.519 0.108 0.000 1.248 854 W CA 2.442 59.844 57.345 0.095 0.000 1.263 854 W CB -0.489 29.029 29.460 0.097 0.000 1.147 854 W HN 0.515 nan 8.180 nan 0.000 0.494 855 W N -0.060 121.334 121.300 0.157 0.000 2.333 855 W HA -0.212 4.414 4.660 -0.057 0.000 0.316 855 W C 2.409 178.832 176.519 -0.160 0.000 1.215 855 W CA 2.698 59.976 57.345 -0.112 0.000 1.278 855 W CB -1.296 28.120 29.460 -0.074 0.000 1.154 855 W HN -0.055 nan 8.180 nan 0.000 0.486 856 F N -0.170 119.811 119.950 0.051 0.000 2.154 856 F HA -0.388 4.103 4.527 -0.060 0.000 0.301 856 F C 2.203 177.789 175.800 -0.357 0.000 1.087 856 F CA 1.283 59.188 58.000 -0.159 0.000 1.274 856 F CB -0.323 38.704 39.000 0.045 0.000 1.009 856 F HN -0.093 nan 8.300 nan 0.000 0.485 857 M N -1.066 118.434 119.600 -0.166 0.000 2.018 857 M HA -0.087 4.358 4.480 -0.059 0.000 0.190 857 M C 1.603 177.606 176.300 -0.494 0.000 1.341 857 M CA 0.712 55.775 55.300 -0.394 0.000 1.140 857 M CB -1.683 30.689 32.600 -0.379 0.000 0.956 857 M HN -0.020 nan 8.290 nan 0.000 0.429 858 Y N 2.318 122.205 120.300 -0.690 0.000 2.715 858 Y HA 0.258 4.772 4.550 -0.060 0.000 0.332 858 Y C 0.413 175.764 175.900 -0.915 0.000 1.213 858 Y CA -0.793 56.903 58.100 -0.674 0.000 1.304 858 Y CB -1.328 36.836 38.460 -0.494 0.000 1.041 858 Y HN 0.309 nan 8.280 nan 0.000 0.502 859 A N 1.409 123.576 122.820 -1.088 0.000 2.535 859 A HA -0.010 4.275 4.320 -0.059 0.000 0.290 859 A C 1.511 178.668 177.584 -0.712 0.000 1.270 859 A CA 0.421 51.800 52.037 -1.096 0.000 0.937 859 A CB -0.650 17.750 19.000 -1.001 0.000 1.096 859 A HN 0.759 nan 8.150 nan 0.000 0.534 860 E N 1.934 121.718 120.200 -0.693 0.000 1.964 860 E HA -0.221 4.094 4.350 -0.059 0.000 0.209 860 E C 0.922 177.380 176.600 -0.236 0.000 0.988 860 E CA 1.453 57.611 56.400 -0.403 0.000 0.875 860 E CB -0.103 29.416 29.700 -0.302 0.000 0.813 860 E HN 0.728 nan 8.360 nan 0.000 0.533 861 D N -0.124 120.192 120.400 -0.139 0.000 2.349 861 D HA 0.021 4.625 4.640 -0.059 0.000 0.224 861 D C -0.172 176.081 176.300 -0.079 0.000 1.029 861 D CA 0.226 54.180 54.000 -0.077 0.000 0.879 861 D CB -0.220 40.570 40.800 -0.017 0.000 0.906 861 D HN 0.233 nan 8.370 nan 0.000 0.528 862 G N 2.338 111.050 108.800 -0.146 0.000 2.378 862 G HA2 0.235 4.160 3.960 -0.059 0.000 0.255 862 G HA3 0.235 4.160 3.960 -0.059 0.000 0.255 862 G C -2.136 172.590 174.900 -0.289 0.000 1.270 862 G CA -0.806 44.213 45.100 -0.134 0.000 0.876 862 G HN 0.094 nan 8.290 nan 0.000 0.521 863 P HA 0.097 nan 4.420 nan 0.000 0.285 863 P C 0.866 177.839 177.300 -0.544 0.000 1.282 863 P CA 0.728 63.714 63.100 -0.190 0.000 0.778 863 P CB 0.285 32.020 31.700 0.058 0.000 1.222 864 G N -1.284 107.323 108.800 -0.322 0.000 2.386 864 G HA2 -0.146 3.778 3.960 -0.059 0.000 0.295 864 G HA3 -0.146 3.778 3.960 -0.059 0.000 0.295 864 G C 0.026 174.666 174.900 -0.434 0.000 0.979 864 G CA -0.030 44.865 45.100 -0.342 0.000 1.193 864 G HN 0.424 nan 8.290 nan 0.000 0.508 865 V N 0.183 119.911 119.914 -0.310 0.000 2.732 865 V HA 0.881 4.965 4.120 -0.059 0.000 0.297 865 V C 0.806 176.807 176.094 -0.155 0.000 1.060 865 V CA 0.555 62.696 62.300 -0.264 0.000 1.038 865 V CB 1.544 33.251 31.823 -0.193 0.000 1.003 865 V HN 0.981 nan 8.190 nan 0.000 0.481 866 T N 2.181 116.656 114.554 -0.132 0.000 2.658 866 T HA 0.562 4.876 4.350 -0.059 0.000 0.305 866 T C -2.411 172.252 174.700 -0.062 0.000 1.551 866 T CA -0.380 61.663 62.100 -0.095 0.000 0.985 866 T CB 1.244 69.990 68.868 -0.203 0.000 1.731 866 T HN 0.433 nan 8.240 nan 0.000 0.486 867 Y N 2.046 122.114 120.300 -0.387 0.000 2.330 867 Y HA 0.403 4.918 4.550 -0.058 0.000 0.324 867 Y C 0.843 176.300 175.900 -0.738 0.000 1.093 867 Y CA -0.341 57.337 58.100 -0.703 0.000 1.103 867 Y CB 0.967 38.929 38.460 -0.830 0.000 1.183 867 Y HN 0.912 nan 8.280 nan 0.000 0.433 868 H N 0.539 119.598 119.070 -0.018 0.000 4.211 868 H HA -0.329 4.191 4.556 -0.060 0.000 0.187 868 H C 0.982 176.256 175.328 -0.090 0.000 0.900 868 H CA 1.807 57.829 56.048 -0.043 0.000 1.223 868 H CB -1.000 28.762 29.762 -0.001 0.000 1.072 868 H HN 0.795 nan 8.280 nan 0.000 0.354 869 Q N 0.740 120.481 119.800 -0.097 0.000 2.439 869 Q HA -0.015 4.289 4.340 -0.059 0.000 0.211 869 Q C 1.999 177.930 176.000 -0.115 0.000 0.978 869 Q CA 1.041 56.748 55.803 -0.160 0.000 0.897 869 Q CB -0.085 28.419 28.738 -0.391 0.000 0.956 869 Q HN 0.328 nan 8.270 nan 0.000 0.483 870 L N 0.390 121.541 121.223 -0.121 0.000 2.129 870 L HA -0.201 4.104 4.340 -0.059 0.000 0.212 870 L C 2.286 179.157 176.870 0.002 0.000 1.087 870 L CA 1.814 56.594 54.840 -0.100 0.000 0.757 870 L CB -1.179 40.820 42.059 -0.099 0.000 0.896 870 L HN 0.179 nan 8.230 nan 0.000 0.434 871 T N -1.782 112.737 114.554 -0.059 0.000 2.720 871 T HA -0.155 4.159 4.350 -0.059 0.000 0.268 871 T C 0.672 175.367 174.700 -0.007 0.000 1.037 871 T CA 1.224 63.262 62.100 -0.104 0.000 1.144 871 T CB -0.428 68.243 68.868 -0.328 0.000 0.864 871 T HN 0.279 nan 8.240 nan 0.000 0.444 872 H N 1.011 120.172 119.070 0.151 0.000 2.741 872 H HA 0.288 4.809 4.556 -0.059 0.000 0.261 872 H C 0.385 175.807 175.328 0.157 0.000 1.365 872 H CA -0.901 55.218 56.048 0.118 0.000 1.266 872 H CB -0.360 29.458 29.762 0.094 0.000 1.485 872 H HN 0.527 nan 8.280 nan 0.000 0.529 873 F N -0.427 119.517 119.950 -0.010 0.000 2.717 873 F HA 0.305 4.796 4.527 -0.060 0.000 0.297 873 F C 1.160 176.679 175.800 -0.468 0.000 1.113 873 F CA -0.172 57.722 58.000 -0.176 0.000 1.319 873 F CB 0.348 39.227 39.000 -0.201 0.000 1.097 873 F HN 0.090 nan 8.300 nan 0.000 0.595 874 M N 0.925 119.868 119.600 -1.095 0.000 2.493 874 M HA 0.189 4.633 4.480 -0.059 0.000 0.244 874 M C 0.637 176.658 176.300 -0.465 0.000 1.182 874 M CA 0.354 55.089 55.300 -0.943 0.000 0.981 874 M CB 0.176 32.209 32.600 -0.944 0.000 1.551 874 M HN 0.304 nan 8.290 nan 0.000 0.476 875 Q N -0.395 119.228 119.800 -0.295 0.000 2.247 875 Q HA 0.058 4.363 4.340 -0.059 0.000 0.211 875 Q C 1.763 177.610 176.000 -0.256 0.000 0.861 875 Q CA 0.173 55.859 55.803 -0.196 0.000 0.949 875 Q CB 0.372 29.050 28.738 -0.100 0.000 1.115 875 Q HN 0.742 nan 8.270 nan 0.000 0.507 876 c N -1.316 117.073 118.600 -0.352 0.000 2.539 876 c HA 0.140 4.675 4.570 -0.059 0.000 0.271 876 c C 2.045 175.877 174.090 -0.430 0.000 1.412 876 c CA -0.153 55.790 56.329 -0.643 0.000 1.729 876 c CB -1.304 40.809 42.510 -0.663 0.000 1.739 876 c HN 0.214 nan 8.230 nan 0.000 0.570 877 T N 0.854 115.249 114.554 -0.264 0.000 3.023 877 T HA -0.037 4.278 4.350 -0.059 0.000 0.266 877 T C 1.582 176.197 174.700 -0.140 0.000 1.093 877 T CA 1.678 63.667 62.100 -0.186 0.000 1.129 877 T CB -0.029 68.764 68.868 -0.125 0.000 0.899 877 T HN 0.767 nan 8.240 nan 0.000 0.491 878 E N -0.253 119.882 120.200 -0.107 0.000 2.717 878 E HA 0.080 4.394 4.350 -0.059 0.000 0.204 878 E C 0.171 176.784 176.600 0.022 0.000 0.911 878 E CA -0.038 56.342 56.400 -0.035 0.000 1.370 878 E CB 0.671 30.337 29.700 -0.056 0.000 1.315 878 E HN 0.114 nan 8.360 nan 0.000 0.643 879 D N 1.579 121.957 120.400 -0.037 0.000 2.458 879 D HA 0.037 4.642 4.640 -0.059 0.000 0.258 879 D C -1.000 175.218 176.300 -0.136 0.000 1.134 879 D CA -0.275 53.690 54.000 -0.060 0.000 0.915 879 D CB 0.223 40.983 40.800 -0.066 0.000 1.028 879 D HN 0.234 nan 8.370 nan 0.000 0.508 880 H N 2.730 121.591 119.070 -0.349 0.000 2.439 880 H HA 0.336 4.857 4.556 -0.059 0.000 0.239 880 H C -2.137 173.175 175.328 -0.026 0.000 1.432 880 H CA -1.700 53.989 56.048 -0.598 0.000 1.373 880 H CB 0.741 29.991 29.762 -0.852 0.000 1.463 880 H HN 0.217 nan 8.280 nan 0.000 0.530 881 P HA -0.093 nan 4.420 nan 0.000 0.204 881 P C 0.776 178.195 177.300 0.198 0.000 1.215 881 P CA 0.768 63.923 63.100 0.091 0.000 0.908 881 P CB 0.374 32.145 31.700 0.118 0.000 0.738 882 H N -0.984 118.205 119.070 0.198 0.000 2.460 882 H HA -0.015 4.505 4.556 -0.059 0.000 0.297 882 H C 0.475 175.875 175.328 0.120 0.000 1.103 882 H CA 0.278 56.389 56.048 0.105 0.000 1.292 882 H CB -1.694 28.086 29.762 0.030 0.000 1.376 882 H HN 0.083 nan 8.280 nan 0.000 0.531 883 F N 2.075 122.118 119.950 0.155 0.000 2.514 883 F HA -0.126 4.365 4.527 -0.060 0.000 0.399 883 F C 1.851 177.701 175.800 0.084 0.000 1.011 883 F CA 0.432 58.504 58.000 0.119 0.000 1.109 883 F CB 0.010 39.110 39.000 0.167 0.000 0.980 883 F HN 0.325 nan 8.300 nan 0.000 0.538 884 E N 2.672 122.962 120.200 0.150 0.000 2.233 884 E HA -0.210 4.105 4.350 -0.059 0.000 0.199 884 E C 1.851 178.526 176.600 0.125 0.000 1.004 884 E CA 1.286 57.743 56.400 0.095 0.000 0.819 884 E CB -0.109 29.614 29.700 0.039 0.000 0.738 884 E HN 0.991 nan 8.360 nan 0.000 0.478 885 G N -0.244 108.672 108.800 0.193 0.000 2.296 885 G HA2 -0.192 3.733 3.960 -0.059 0.000 0.188 885 G HA3 -0.192 3.733 3.960 -0.059 0.000 0.188 885 G C 0.141 175.125 174.900 0.141 0.000 1.000 885 G CA 0.022 45.228 45.100 0.176 0.000 0.672 885 G HN 0.172 nan 8.290 nan 0.000 0.483 886 L N 2.597 123.896 121.223 0.128 0.000 2.578 886 L HA 0.131 4.435 4.340 -0.059 0.000 0.279 886 L C 0.338 177.285 176.870 0.128 0.000 1.227 886 L CA -0.202 54.700 54.840 0.102 0.000 0.900 886 L CB 0.172 42.276 42.059 0.075 0.000 1.144 886 L HN 0.195 nan 8.230 nan 0.000 0.496 887 D N 1.702 122.160 120.400 0.097 0.000 3.450 887 D HA -0.210 4.394 4.640 -0.059 0.000 0.202 887 D C 0.770 177.153 176.300 0.137 0.000 1.070 887 D CA 0.484 54.538 54.000 0.090 0.000 0.743 887 D CB 0.474 41.319 40.800 0.076 0.000 1.157 887 D HN 0.721 nan 8.370 nan 0.000 0.557 888 c N 3.204 121.868 118.600 0.107 0.000 2.526 888 c HA -0.035 4.499 4.570 -0.059 0.000 0.286 888 c C 1.400 175.679 174.090 0.315 0.000 1.416 888 c CA 0.038 56.468 56.329 0.168 0.000 1.671 888 c CB -1.300 41.203 42.510 -0.013 0.000 1.650 888 c HN 0.563 nan 8.230 nan 0.000 0.590 889 E N -0.463 119.846 120.200 0.183 0.000 2.734 889 E HA 0.159 4.473 4.350 -0.059 0.000 0.211 889 E C 1.339 177.921 176.600 -0.031 0.000 0.991 889 E CA -0.175 56.231 56.400 0.010 0.000 1.065 889 E CB 0.065 29.735 29.700 -0.050 0.000 1.047 889 E HN 0.788 nan 8.360 nan 0.000 0.470 890 I N 0.931 121.602 120.570 0.169 0.000 3.251 890 I HA -0.087 4.047 4.170 -0.059 0.000 0.277 890 I C 1.185 177.528 176.117 0.376 0.000 1.268 890 I CA 0.421 61.872 61.300 0.252 0.000 1.449 890 I CB 0.060 38.226 38.000 0.277 0.000 1.083 890 I HN 0.185 nan 8.210 nan 0.000 0.464 891 F N 0.498 120.603 119.950 0.258 0.000 2.804 891 F HA 0.226 4.717 4.527 -0.061 0.000 0.303 891 F C 1.104 177.109 175.800 0.341 0.000 1.154 891 F CA 0.102 58.292 58.000 0.317 0.000 1.401 891 F CB -0.526 38.655 39.000 0.301 0.000 1.106 891 F HN 0.045 nan 8.300 nan 0.000 0.568 892 E N 0.828 120.905 120.200 -0.204 0.000 2.758 892 E HA 0.372 4.687 4.350 -0.059 0.000 0.215 892 E C 0.339 176.883 176.600 -0.093 0.000 0.985 892 E CA -0.334 55.930 56.400 -0.227 0.000 1.102 892 E CB 0.802 30.216 29.700 -0.477 0.000 1.042 892 E HN 0.355 nan 8.360 nan 0.000 0.480 893 A N 2.649 125.475 122.820 0.009 0.000 2.425 893 A HA 0.216 4.500 4.320 -0.059 0.000 0.249 893 A C -1.329 176.137 177.584 -0.197 0.000 1.084 893 A CA -0.979 51.022 52.037 -0.060 0.000 0.781 893 A CB 0.179 19.197 19.000 0.031 0.000 1.019 893 A HN -0.034 nan 8.150 nan 0.000 0.490 894 P HA -0.106 nan 4.420 nan 0.000 0.224 894 P C 0.809 177.861 177.300 -0.414 0.000 1.157 894 P CA 0.818 63.768 63.100 -0.250 0.000 0.799 894 P CB 0.190 31.780 31.700 -0.183 0.000 0.809 895 E N 0.591 120.432 120.200 -0.600 0.000 2.086 895 E HA -0.183 4.132 4.350 -0.059 0.000 0.205 895 E C -0.386 175.547 176.600 -1.110 0.000 1.027 895 E CA 1.924 57.735 56.400 -0.981 0.000 0.830 895 E CB -2.296 26.426 29.700 -1.630 0.000 0.751 895 E HN 0.404 nan 8.360 nan 0.000 0.456 896 P HA -0.157 nan 4.420 nan 0.000 0.213 896 P C 1.807 178.838 177.300 -0.448 0.000 1.170 896 P CA 1.547 64.174 63.100 -0.789 0.000 0.898 896 P CB -0.195 30.987 31.700 -0.863 0.000 0.787 897 M N -1.263 118.128 119.600 -0.348 0.000 2.084 897 M HA -0.158 4.287 4.480 -0.059 0.000 0.259 897 M C 2.038 178.215 176.300 -0.204 0.000 1.072 897 M CA 2.416 57.591 55.300 -0.208 0.000 1.107 897 M CB -1.903 30.611 32.600 -0.143 0.000 1.299 897 M HN -0.087 nan 8.290 nan 0.000 0.413 898 T N 0.538 114.948 114.554 -0.241 0.000 2.869 898 T HA -0.141 4.174 4.350 -0.059 0.000 0.270 898 T C 1.704 176.233 174.700 -0.285 0.000 1.082 898 T CA 1.009 62.973 62.100 -0.227 0.000 1.123 898 T CB -0.147 68.569 68.868 -0.253 0.000 0.856 898 T HN 0.252 nan 8.240 nan 0.000 0.499 899 M N 0.307 119.710 119.600 -0.329 0.000 2.447 899 M HA 0.259 4.704 4.480 -0.059 0.000 0.264 899 M C 2.310 178.469 176.300 -0.236 0.000 1.095 899 M CA 0.594 55.704 55.300 -0.317 0.000 1.125 899 M CB -0.725 31.708 32.600 -0.277 0.000 1.389 899 M HN 0.318 nan 8.290 nan 0.000 0.459 900 A N -0.705 122.005 122.820 -0.182 0.000 1.920 900 A HA 0.009 4.293 4.320 -0.059 0.000 0.209 900 A C 1.913 179.439 177.584 -0.096 0.000 1.229 900 A CA 0.331 52.294 52.037 -0.124 0.000 0.671 900 A CB -0.728 18.214 19.000 -0.096 0.000 0.886 900 A HN 0.372 nan 8.150 nan 0.000 0.461 901 L N 0.409 121.591 121.223 -0.067 0.000 2.129 901 L HA -0.153 4.151 4.340 -0.059 0.000 0.212 901 L C 2.318 179.184 176.870 -0.007 0.000 1.087 901 L CA 2.422 57.266 54.840 0.007 0.000 0.757 901 L CB -0.351 41.756 42.059 0.081 0.000 0.896 901 L HN 0.295 nan 8.230 nan 0.000 0.434 902 S N -1.712 113.951 115.700 -0.061 0.000 2.377 902 S HA -0.089 4.345 4.470 -0.059 0.000 0.223 902 S C 1.913 176.466 174.600 -0.078 0.000 1.030 902 S CA 1.116 59.265 58.200 -0.085 0.000 0.970 902 S CB -0.221 62.687 63.200 -0.487 0.000 0.830 902 S HN 0.313 nan 8.310 nan 0.000 0.473 903 V N 2.104 121.951 119.914 -0.112 0.000 2.295 903 V HA -0.154 3.931 4.120 -0.059 0.000 0.246 903 V C 2.255 178.324 176.094 -0.043 0.000 1.049 903 V CA 1.409 63.672 62.300 -0.062 0.000 1.024 903 V CB -0.611 31.156 31.823 -0.093 0.000 0.648 903 V HN 0.308 nan 8.190 nan 0.000 0.447 904 L N -0.195 120.991 121.223 -0.061 0.000 1.944 904 L HA -0.193 4.112 4.340 -0.059 0.000 0.218 904 L C 2.419 179.250 176.870 -0.065 0.000 1.075 904 L CA 2.070 56.874 54.840 -0.059 0.000 0.767 904 L CB -0.899 41.130 42.059 -0.051 0.000 0.890 904 L HN 0.125 nan 8.230 nan 0.000 0.434 905 V N -0.636 119.217 119.914 -0.101 0.000 2.220 905 V HA -0.440 3.645 4.120 -0.059 0.000 0.250 905 V C 2.477 178.526 176.094 -0.074 0.000 1.056 905 V CA 2.587 64.799 62.300 -0.146 0.000 1.016 905 V CB -1.119 30.490 31.823 -0.356 0.000 0.639 905 V HN 0.632 nan 8.190 nan 0.000 0.446 906 T N -0.238 114.298 114.554 -0.030 0.000 2.653 906 T HA -0.270 4.045 4.350 -0.059 0.000 0.268 906 T C 1.820 176.543 174.700 0.039 0.000 1.035 906 T CA 2.270 64.396 62.100 0.043 0.000 1.154 906 T CB -0.400 68.557 68.868 0.149 0.000 0.862 906 T HN 0.441 nan 8.240 nan 0.000 0.441 907 I N 0.588 121.175 120.570 0.030 0.000 2.394 907 I HA -0.143 3.991 4.170 -0.059 0.000 0.251 907 I C 2.456 178.592 176.117 0.032 0.000 1.136 907 I CA 1.464 62.789 61.300 0.043 0.000 1.425 907 I CB -0.137 37.894 38.000 0.053 0.000 1.079 907 I HN 0.336 nan 8.210 nan 0.000 0.425 908 E N 0.229 120.431 120.200 0.004 0.000 2.106 908 E HA -0.221 4.093 4.350 -0.059 0.000 0.192 908 E C 2.157 178.837 176.600 0.133 0.000 0.984 908 E CA 1.123 57.529 56.400 0.009 0.000 0.806 908 E CB -0.099 29.568 29.700 -0.054 0.000 0.750 908 E HN 0.444 nan 8.360 nan 0.000 0.458 909 M N 0.343 119.990 119.600 0.079 0.000 2.159 909 M HA -0.143 4.302 4.480 -0.059 0.000 0.263 909 M C 2.429 178.770 176.300 0.069 0.000 1.063 909 M CA 0.994 56.335 55.300 0.069 0.000 1.110 909 M CB -1.180 31.434 32.600 0.023 0.000 1.374 909 M HN 0.254 nan 8.290 nan 0.000 0.411 910 C N 0.156 119.495 119.300 0.064 0.000 2.435 910 C HA -0.091 4.334 4.460 -0.059 0.000 0.279 910 C C 2.489 177.520 174.990 0.068 0.000 1.321 910 C CA 0.875 59.925 59.018 0.052 0.000 1.752 910 C CB -1.538 26.229 27.740 0.046 0.000 1.959 910 C HN 0.588 nan 8.230 nan 0.000 0.500 911 N N 1.205 119.971 118.700 0.110 0.000 2.309 911 N HA -0.040 4.664 4.740 -0.059 0.000 0.182 911 N C 1.696 177.357 175.510 0.252 0.000 1.018 911 N CA 1.403 54.539 53.050 0.143 0.000 0.876 911 N CB -0.218 38.318 38.487 0.082 0.000 0.972 911 N HN 0.464 nan 8.380 nan 0.000 0.434 912 A N 0.410 123.376 122.820 0.244 0.000 1.933 912 A HA -0.051 4.233 4.320 -0.059 0.000 0.218 912 A C 2.069 179.612 177.584 -0.068 0.000 1.175 912 A CA 0.873 52.838 52.037 -0.119 0.000 0.628 912 A CB -0.732 18.078 19.000 -0.317 0.000 0.814 912 A HN 0.355 nan 8.150 nan 0.000 0.444 913 L N -0.017 121.198 121.223 -0.014 0.000 2.549 913 L HA -0.112 4.192 4.340 -0.059 0.000 0.230 913 L C 1.452 178.318 176.870 -0.007 0.000 1.162 913 L CA 0.494 55.322 54.840 -0.019 0.000 0.834 913 L CB -0.477 41.577 42.059 -0.007 0.000 0.947 913 L HN 0.383 nan 8.230 nan 0.000 0.452 914 N N -1.184 117.530 118.700 0.023 0.000 2.353 914 N HA 0.002 4.707 4.740 -0.059 0.000 0.185 914 N C 1.297 176.833 175.510 0.043 0.000 1.098 914 N CA 0.379 53.449 53.050 0.033 0.000 0.872 914 N CB 0.591 39.105 38.487 0.044 0.000 0.970 914 N HN 0.094 nan 8.380 nan 0.000 0.467 915 S N 0.439 116.159 115.700 0.033 0.000 2.597 915 S HA 0.275 4.709 4.470 -0.059 0.000 0.224 915 S C 1.537 176.143 174.600 0.011 0.000 0.955 915 S CA -0.230 57.991 58.200 0.034 0.000 0.933 915 S CB 0.233 63.445 63.200 0.020 0.000 0.788 915 S HN 0.240 nan 8.310 nan 0.000 0.488 916 L N 0.923 122.144 121.223 -0.003 0.000 2.610 916 L HA 0.201 4.506 4.340 -0.059 0.000 0.232 916 L C 1.014 177.885 176.870 0.002 0.000 1.149 916 L CA 0.174 55.008 54.840 -0.010 0.000 0.872 916 L CB 0.070 42.104 42.059 -0.042 0.000 0.992 916 L HN 0.271 nan 8.230 nan 0.000 0.447 917 S N -1.913 113.799 115.700 0.021 0.000 2.669 917 S HA 0.122 4.557 4.470 -0.059 0.000 0.266 917 S C 0.092 174.727 174.600 0.058 0.000 1.149 917 S CA -0.539 57.681 58.200 0.033 0.000 0.842 917 S CB 1.204 64.416 63.200 0.020 0.000 1.160 917 S HN 0.148 nan 8.310 nan 0.000 0.487 918 E N 0.039 120.282 120.200 0.072 0.000 2.306 918 E HA 0.299 4.614 4.350 -0.059 0.000 0.201 918 E C 0.823 177.498 176.600 0.126 0.000 0.874 918 E CA 0.250 56.713 56.400 0.104 0.000 0.972 918 E CB 0.106 29.873 29.700 0.111 0.000 0.957 918 E HN 0.678 nan 8.360 nan 0.000 0.492 919 N N -0.534 118.226 118.700 0.100 0.000 2.168 919 N HA 0.064 4.769 4.740 -0.059 0.000 0.216 919 N C -0.430 175.124 175.510 0.073 0.000 1.259 919 N CA -0.277 52.835 53.050 0.103 0.000 0.902 919 N CB 0.953 39.488 38.487 0.080 0.000 1.079 919 N HN -0.054 nan 8.380 nan 0.000 0.507 920 Q N 1.409 121.240 119.800 0.053 0.000 2.314 920 Q HA 0.138 4.443 4.340 -0.059 0.000 0.258 920 Q C 0.014 176.036 176.000 0.037 0.000 0.954 920 Q CA 0.166 55.990 55.803 0.034 0.000 0.890 920 Q CB 1.636 30.382 28.738 0.013 0.000 1.210 920 Q HN 0.062 nan 8.270 nan 0.000 0.410 921 S N 1.724 117.449 115.700 0.041 0.000 2.573 921 S HA 0.035 4.470 4.470 -0.059 0.000 0.277 921 S C 1.132 175.729 174.600 -0.006 0.000 1.346 921 S CA -0.349 57.875 58.200 0.040 0.000 1.034 921 S CB 0.331 63.565 63.200 0.055 0.000 0.879 921 S HN 0.693 nan 8.310 nan 0.000 0.528 922 L N 3.325 124.540 121.223 -0.013 0.000 2.622 922 L HA 0.032 4.336 4.340 -0.059 0.000 0.233 922 L C 1.798 178.613 176.870 -0.092 0.000 1.156 922 L CA 0.523 55.328 54.840 -0.057 0.000 0.866 922 L CB -0.170 41.867 42.059 -0.037 0.000 0.980 922 L HN 0.785 nan 8.230 nan 0.000 0.448 923 M N -1.430 118.139 119.600 -0.051 0.000 2.534 923 M HA 0.018 4.463 4.480 -0.059 0.000 0.263 923 M C 1.940 178.204 176.300 -0.060 0.000 1.152 923 M CA 1.119 56.391 55.300 -0.047 0.000 1.145 923 M CB 0.080 32.682 32.600 0.003 0.000 1.333 923 M HN -0.098 nan 8.290 nan 0.000 0.477 924 R N -0.193 120.279 120.500 -0.047 0.000 2.080 924 R HA 0.222 4.526 4.340 -0.059 0.000 0.222 924 R C 0.103 176.348 176.300 -0.092 0.000 1.107 924 R CA 1.078 57.153 56.100 -0.041 0.000 0.980 924 R CB 0.144 30.437 30.300 -0.011 0.000 0.879 924 R HN 0.212 nan 8.270 nan 0.000 0.439 925 M N 2.248 121.774 119.600 -0.123 0.000 2.741 925 M HA 0.331 4.775 4.480 -0.059 0.000 0.283 925 M C -2.305 173.811 176.300 -0.307 0.000 1.176 925 M CA -2.133 53.062 55.300 -0.175 0.000 1.139 925 M CB 1.338 33.875 32.600 -0.105 0.000 1.234 925 M HN -0.209 nan 8.290 nan 0.000 0.497 926 P HA -0.080 nan 4.420 nan 0.000 0.268 926 P C -1.667 175.188 177.300 -0.741 0.000 1.189 926 P CA -0.337 62.165 63.100 -0.997 0.000 0.771 926 P CB 0.016 30.369 31.700 -2.246 0.000 0.822 927 P HA -0.129 nan 4.420 nan 0.000 0.221 927 P C 0.728 177.962 177.300 -0.111 0.000 1.150 927 P CA 1.469 64.454 63.100 -0.193 0.000 0.800 927 P CB -0.326 31.351 31.700 -0.038 0.000 0.787 928 W N -0.415 120.871 121.300 -0.023 0.000 3.204 928 W HA 0.225 4.849 4.660 -0.059 0.000 0.249 928 W C 1.035 177.532 176.519 -0.037 0.000 1.322 928 W CA -0.262 57.059 57.345 -0.041 0.000 1.593 928 W CB -1.748 27.685 29.460 -0.045 0.000 1.122 928 W HN -0.336 nan 8.180 nan 0.000 0.710 929 V N 1.740 121.513 119.914 -0.235 0.000 2.626 929 V HA -0.199 3.886 4.120 -0.059 0.000 0.252 929 V C 1.043 177.138 176.094 0.001 0.000 1.067 929 V CA 1.757 63.981 62.300 -0.126 0.000 1.081 929 V CB -0.739 30.973 31.823 -0.186 0.000 0.686 929 V HN 0.339 nan 8.190 nan 0.000 0.468 930 N N 0.706 119.410 118.700 0.008 0.000 2.898 930 N HA 0.173 4.878 4.740 -0.059 0.000 0.245 930 N C 0.818 176.332 175.510 0.008 0.000 1.185 930 N CA -0.231 52.855 53.050 0.060 0.000 0.879 930 N CB 0.683 39.221 38.487 0.086 0.000 1.157 930 N HN 0.024 nan 8.380 nan 0.000 0.503 931 I N 0.906 121.418 120.570 -0.097 0.000 2.194 931 I HA -0.270 3.864 4.170 -0.059 0.000 0.246 931 I C 1.439 177.398 176.117 -0.262 0.000 1.093 931 I CA 1.320 62.480 61.300 -0.234 0.000 1.355 931 I CB -0.803 36.929 38.000 -0.447 0.000 1.046 931 I HN 0.540 nan 8.210 nan 0.000 0.413 932 W N 0.487 121.751 121.300 -0.060 0.000 2.331 932 W HA -0.227 4.397 4.660 -0.059 0.000 0.291 932 W C 2.478 178.917 176.519 -0.134 0.000 1.214 932 W CA 0.241 57.496 57.345 -0.150 0.000 1.228 932 W CB -0.661 28.635 29.460 -0.273 0.000 1.135 932 W HN 0.126 nan 8.180 nan 0.000 0.537 933 L N 0.127 121.407 121.223 0.095 0.000 2.044 933 L HA -0.090 4.214 4.340 -0.059 0.000 0.205 933 L C 2.155 179.018 176.870 -0.012 0.000 1.075 933 L CA 1.760 56.612 54.840 0.021 0.000 0.747 933 L CB -1.001 41.060 42.059 0.003 0.000 0.903 933 L HN -0.017 nan 8.230 nan 0.000 0.435 934 L N -0.526 120.688 121.223 -0.015 0.000 1.970 934 L HA -0.172 4.132 4.340 -0.059 0.000 0.212 934 L C 2.569 179.421 176.870 -0.030 0.000 1.071 934 L CA 1.592 56.421 54.840 -0.019 0.000 0.751 934 L CB -1.745 40.307 42.059 -0.013 0.000 0.889 934 L HN 0.466 nan 8.230 nan 0.000 0.432 935 G N -1.210 107.561 108.800 -0.049 0.000 2.475 935 G HA2 -0.301 3.624 3.960 -0.059 0.000 0.220 935 G HA3 -0.301 3.624 3.960 -0.059 0.000 0.220 935 G C 1.815 176.704 174.900 -0.018 0.000 1.125 935 G CA 1.152 46.226 45.100 -0.043 0.000 0.755 935 G HN 0.341 nan 8.290 nan 0.000 0.565 936 S N -0.213 115.479 115.700 -0.013 0.000 2.368 936 S HA 0.008 4.442 4.470 -0.059 0.000 0.224 936 S C 2.357 176.938 174.600 -0.031 0.000 1.029 936 S CA 0.739 58.924 58.200 -0.025 0.000 0.988 936 S CB -0.201 62.976 63.200 -0.038 0.000 0.838 936 S HN 0.403 nan 8.310 nan 0.000 0.462 937 I N 0.740 121.292 120.570 -0.030 0.000 2.113 937 I HA -0.234 3.901 4.170 -0.059 0.000 0.238 937 I C 2.506 178.619 176.117 -0.006 0.000 1.070 937 I CA 1.012 62.299 61.300 -0.022 0.000 1.332 937 I CB -0.677 37.312 38.000 -0.018 0.000 1.044 937 I HN 0.380 nan 8.210 nan 0.000 0.402 938 C N 0.554 119.850 119.300 -0.005 0.000 2.385 938 C HA -0.217 4.208 4.460 -0.059 0.000 0.275 938 C C 2.789 177.789 174.990 0.017 0.000 1.207 938 C CA 0.921 59.941 59.018 0.003 0.000 1.760 938 C CB -1.182 26.549 27.740 -0.015 0.000 2.051 938 C HN 0.541 nan 8.230 nan 0.000 0.467 939 L N 1.056 122.283 121.223 0.006 0.000 2.012 939 L HA -0.112 4.192 4.340 -0.059 0.000 0.210 939 L C 2.544 179.431 176.870 0.028 0.000 1.073 939 L CA 2.304 57.153 54.840 0.015 0.000 0.748 939 L CB -1.138 40.921 42.059 -0.000 0.000 0.891 939 L HN 0.272 nan 8.230 nan 0.000 0.431 940 S N -1.198 114.504 115.700 0.003 0.000 2.370 940 S HA -0.218 4.217 4.470 -0.059 0.000 0.226 940 S C 1.945 176.575 174.600 0.049 0.000 1.033 940 S CA 1.798 59.990 58.200 -0.013 0.000 1.011 940 S CB -0.308 62.861 63.200 -0.051 0.000 0.852 940 S HN 0.484 nan 8.310 nan 0.000 0.457 941 M N 1.214 120.853 119.600 0.065 0.000 2.059 941 M HA -0.042 4.403 4.480 -0.059 0.000 0.259 941 M C 2.256 178.697 176.300 0.235 0.000 1.072 941 M CA 1.586 56.958 55.300 0.120 0.000 1.117 941 M CB -0.843 31.828 32.600 0.118 0.000 1.320 941 M HN 0.159 nan 8.290 nan 0.000 0.408 942 S N 0.249 116.066 115.700 0.195 0.000 2.380 942 S HA -0.185 4.250 4.470 -0.059 0.000 0.229 942 S C 1.726 176.451 174.600 0.209 0.000 1.043 942 S CA 1.441 59.754 58.200 0.187 0.000 1.038 942 S CB -0.648 62.604 63.200 0.086 0.000 0.872 942 S HN 0.366 nan 8.310 nan 0.000 0.456 943 L N 0.510 121.856 121.223 0.204 0.000 2.265 943 L HA -0.050 4.255 4.340 -0.059 0.000 0.215 943 L C 1.980 179.138 176.870 0.481 0.000 1.117 943 L CA 1.626 56.633 54.840 0.278 0.000 0.782 943 L CB -0.598 41.580 42.059 0.197 0.000 0.914 943 L HN 0.360 nan 8.230 nan 0.000 0.441 944 H N -2.148 117.114 119.070 0.320 0.000 2.306 944 H HA -0.054 4.466 4.556 -0.061 0.000 0.307 944 H C 1.975 177.362 175.328 0.098 0.000 1.061 944 H CA 1.451 57.692 56.048 0.321 0.000 1.359 944 H CB -0.260 29.622 29.762 0.200 0.000 1.407 944 H HN 0.177 nan 8.280 nan 0.000 0.517 945 F N -0.079 119.916 119.950 0.075 0.000 2.192 945 F HA -0.178 4.314 4.527 -0.057 0.000 0.301 945 F C 2.236 177.966 175.800 -0.116 0.000 1.079 945 F CA 0.791 58.725 58.000 -0.111 0.000 1.303 945 F CB -0.541 38.316 39.000 -0.239 0.000 1.024 945 F HN 0.203 nan 8.300 nan 0.000 0.494 946 L N -0.801 120.495 121.223 0.123 0.000 2.083 946 L HA -0.169 4.135 4.340 -0.059 0.000 0.209 946 L C 2.112 178.945 176.870 -0.061 0.000 1.083 946 L CA 1.286 56.160 54.840 0.056 0.000 0.752 946 L CB -0.778 41.328 42.059 0.078 0.000 0.899 946 L HN 0.041 nan 8.230 nan 0.000 0.433 947 I N -1.499 118.922 120.570 -0.249 0.000 3.001 947 I HA -0.180 3.955 4.170 -0.059 0.000 0.268 947 I C 1.822 177.692 176.117 -0.412 0.000 1.267 947 I CA 1.126 62.070 61.300 -0.594 0.000 1.472 947 I CB -0.028 37.172 38.000 -1.332 0.000 1.089 947 I HN 0.152 nan 8.210 nan 0.000 0.468 948 L N -2.064 119.068 121.223 -0.153 0.000 2.470 948 L HA 0.028 4.333 4.340 -0.059 0.000 0.219 948 L C 0.990 178.013 176.870 0.256 0.000 1.071 948 L CA 0.330 55.203 54.840 0.055 0.000 0.850 948 L CB -0.101 42.104 42.059 0.243 0.000 1.040 948 L HN 0.123 nan 8.230 nan 0.000 0.475 949 Y N -0.886 119.399 120.300 -0.026 0.000 2.531 949 Y HA 0.253 4.767 4.550 -0.060 0.000 0.249 949 Y C 0.444 176.333 175.900 -0.018 0.000 1.168 949 Y CA -0.649 57.453 58.100 0.003 0.000 1.226 949 Y CB 0.477 38.963 38.460 0.044 0.000 1.177 949 Y HN -0.259 nan 8.280 nan 0.000 0.527 950 V N 1.071 121.036 119.914 0.086 0.000 2.259 950 V HA 0.089 4.174 4.120 -0.059 0.000 0.267 950 V C 0.745 176.840 176.094 0.001 0.000 1.051 950 V CA -0.738 61.585 62.300 0.038 0.000 0.830 950 V CB 0.638 32.476 31.823 0.025 0.000 1.080 950 V HN 0.190 nan 8.190 nan 0.000 0.467 951 D N 5.706 126.102 120.400 -0.007 0.000 4.742 951 D HA -0.265 4.340 4.640 -0.059 0.000 0.284 951 D C -0.642 175.647 176.300 -0.018 0.000 1.470 951 D CA 3.021 57.008 54.000 -0.022 0.000 0.932 951 D CB -0.475 40.315 40.800 -0.017 0.000 0.901 951 D HN 0.481 nan 8.370 nan 0.000 0.689 952 P HA -0.092 nan 4.420 nan 0.000 0.215 952 P C 1.541 178.853 177.300 0.021 0.000 1.153 952 P CA 0.864 63.965 63.100 0.003 0.000 0.853 952 P CB 0.029 31.734 31.700 0.009 0.000 0.788 953 L N 0.502 121.734 121.223 0.014 0.000 1.943 953 L HA -0.106 4.199 4.340 -0.059 0.000 0.215 953 L C -0.450 176.450 176.870 0.049 0.000 1.074 953 L CA 2.852 57.710 54.840 0.030 0.000 0.759 953 L CB -2.876 39.101 42.059 -0.136 0.000 0.888 953 L HN 0.077 nan 8.230 nan 0.000 0.433 954 P HA -0.276 nan 4.420 nan 0.000 0.218 954 P C 1.922 179.219 177.300 -0.005 0.000 1.147 954 P CA 1.918 64.983 63.100 -0.059 0.000 0.827 954 P CB -0.166 31.480 31.700 -0.090 0.000 0.778 955 M N -0.655 118.948 119.600 0.003 0.000 2.098 955 M HA -0.077 4.367 4.480 -0.059 0.000 0.262 955 M C 2.258 178.563 176.300 0.008 0.000 1.072 955 M CA 1.665 56.961 55.300 -0.007 0.000 1.133 955 M CB -0.479 32.111 32.600 -0.017 0.000 1.344 955 M HN -0.202 nan 8.290 nan 0.000 0.414 956 I N -0.064 120.533 120.570 0.045 0.000 2.335 956 I HA -0.274 3.861 4.170 -0.059 0.000 0.251 956 I C 1.164 177.212 176.117 -0.114 0.000 1.129 956 I CA 1.250 62.541 61.300 -0.016 0.000 1.402 956 I CB -0.431 37.580 38.000 0.017 0.000 1.069 956 I HN 0.191 nan 8.210 nan 0.000 0.424 957 F N 1.603 121.480 119.950 -0.123 0.000 2.664 957 F HA 0.155 4.647 4.527 -0.059 0.000 0.301 957 F C 0.837 176.563 175.800 -0.123 0.000 1.126 957 F CA -0.348 57.566 58.000 -0.144 0.000 1.373 957 F CB -0.303 38.540 39.000 -0.261 0.000 1.042 957 F HN -0.104 nan 8.300 nan 0.000 0.535 958 K N 0.519 120.924 120.400 0.010 0.000 3.003 958 K HA -0.217 4.068 4.320 -0.059 0.000 0.257 958 K C -0.312 176.259 176.600 -0.048 0.000 0.958 958 K CA 0.570 56.839 56.287 -0.031 0.000 0.707 958 K CB -2.240 30.236 32.500 -0.040 0.000 1.279 958 K HN 0.396 nan 8.250 nan 0.000 0.479 959 L N -0.696 120.500 121.223 -0.045 0.000 2.298 959 L HA 0.567 4.871 4.340 -0.059 0.000 0.268 959 L C 0.157 176.954 176.870 -0.122 0.000 1.010 959 L CA -1.089 53.690 54.840 -0.101 0.000 0.812 959 L CB 1.596 43.585 42.059 -0.116 0.000 1.331 959 L HN -0.013 nan 8.230 nan 0.000 0.450 960 K N 0.471 120.776 120.400 -0.158 0.000 2.565 960 K HA 0.579 4.864 4.320 -0.059 0.000 0.251 960 K C -0.893 175.610 176.600 -0.161 0.000 0.956 960 K CA -0.526 55.668 56.287 -0.155 0.000 0.809 960 K CB 1.909 34.312 32.500 -0.162 0.000 1.267 960 K HN 0.678 nan 8.250 nan 0.000 0.438 961 A N 3.152 125.881 122.820 -0.151 0.000 2.639 961 A HA 0.072 4.357 4.320 -0.059 0.000 0.229 961 A C -0.502 177.040 177.584 -0.069 0.000 1.062 961 A CA 0.374 52.344 52.037 -0.112 0.000 0.761 961 A CB -0.041 18.735 19.000 -0.373 0.000 0.988 961 A HN 0.513 nan 8.150 nan 0.000 0.510 962 L N 1.633 122.880 121.223 0.040 0.000 2.344 962 L HA 0.342 4.647 4.340 -0.059 0.000 0.272 962 L C 0.512 177.474 176.870 0.154 0.000 1.035 962 L CA -0.168 54.645 54.840 -0.043 0.000 0.807 962 L CB 1.126 42.932 42.059 -0.422 0.000 1.237 962 L HN 0.673 nan 8.230 nan 0.000 0.442 963 D N 0.978 121.451 120.400 0.122 0.000 2.382 963 D HA 0.066 4.670 4.640 -0.059 0.000 0.240 963 D C 0.923 177.389 176.300 0.277 0.000 1.146 963 D CA -0.124 53.984 54.000 0.180 0.000 0.897 963 D CB 1.137 42.030 40.800 0.155 0.000 1.197 963 D HN 0.281 nan 8.370 nan 0.000 0.432 964 L N 1.450 122.826 121.223 0.256 0.000 2.642 964 L HA -0.074 4.230 4.340 -0.059 0.000 0.236 964 L C 2.009 179.017 176.870 0.229 0.000 1.169 964 L CA 1.161 56.159 54.840 0.263 0.000 0.851 964 L CB -0.661 41.503 42.059 0.174 0.000 0.968 964 L HN 0.347 nan 8.230 nan 0.000 0.453 965 T N -2.743 111.937 114.554 0.210 0.000 3.026 965 T HA 0.005 4.319 4.350 -0.059 0.000 0.245 965 T C 1.745 176.553 174.700 0.180 0.000 1.004 965 T CA 0.113 62.321 62.100 0.179 0.000 1.069 965 T CB 0.200 69.162 68.868 0.157 0.000 1.005 965 T HN 0.265 nan 8.240 nan 0.000 0.472 966 Q N 0.063 119.971 119.800 0.181 0.000 2.167 966 Q HA -0.067 4.237 4.340 -0.059 0.000 0.202 966 Q C 1.805 177.815 176.000 0.017 0.000 0.970 966 Q CA 1.218 57.086 55.803 0.108 0.000 0.855 966 Q CB -0.142 28.651 28.738 0.092 0.000 0.911 966 Q HN 0.576 nan 8.270 nan 0.000 0.438 967 W N 0.893 122.237 121.300 0.074 0.000 2.358 967 W HA -0.119 4.504 4.660 -0.061 0.000 0.303 967 W C 1.770 178.303 176.519 0.024 0.000 1.208 967 W CA 0.582 57.966 57.345 0.065 0.000 1.274 967 W CB -0.042 29.501 29.460 0.139 0.000 1.138 967 W HN 0.091 nan 8.180 nan 0.000 0.515 968 L N -0.043 121.349 121.223 0.282 0.000 2.349 968 L HA -0.242 4.063 4.340 -0.059 0.000 0.220 968 L C 2.278 179.176 176.870 0.047 0.000 1.130 968 L CA 0.657 55.590 54.840 0.155 0.000 0.791 968 L CB -0.485 41.648 42.059 0.123 0.000 0.918 968 L HN 0.106 nan 8.230 nan 0.000 0.444 969 M N -1.096 118.476 119.600 -0.045 0.000 2.288 969 M HA -0.063 4.381 4.480 -0.059 0.000 0.266 969 M C 1.872 178.051 176.300 -0.202 0.000 1.072 969 M CA 1.584 56.723 55.300 -0.268 0.000 1.132 969 M CB -0.110 32.115 32.600 -0.626 0.000 1.386 969 M HN -0.061 nan 8.290 nan 0.000 0.432 970 V N -0.198 119.674 119.914 -0.071 0.000 2.283 970 V HA -0.191 3.894 4.120 -0.059 0.000 0.243 970 V C 2.096 178.228 176.094 0.063 0.000 1.039 970 V CA 1.158 63.452 62.300 -0.011 0.000 1.016 970 V CB -0.826 31.043 31.823 0.077 0.000 0.650 970 V HN 0.360 nan 8.190 nan 0.000 0.449 971 L N 0.076 121.380 121.223 0.136 0.000 2.549 971 L HA -0.109 4.195 4.340 -0.059 0.000 0.230 971 L C 2.155 179.059 176.870 0.057 0.000 1.162 971 L CA 1.679 56.583 54.840 0.108 0.000 0.834 971 L CB -0.821 41.308 42.059 0.117 0.000 0.947 971 L HN 0.299 nan 8.230 nan 0.000 0.452 972 K N -1.016 119.396 120.400 0.020 0.000 2.244 972 K HA 0.055 4.339 4.320 -0.059 0.000 0.200 972 K C 1.844 178.447 176.600 0.005 0.000 1.052 972 K CA 0.254 56.542 56.287 0.001 0.000 0.980 972 K CB 0.295 32.771 32.500 -0.040 0.000 0.838 972 K HN 0.106 nan 8.250 nan 0.000 0.481 973 I N 1.029 121.587 120.570 -0.021 0.000 3.228 973 I HA -0.024 4.111 4.170 -0.059 0.000 0.279 973 I C 1.225 177.400 176.117 0.096 0.000 1.221 973 I CA 0.950 62.255 61.300 0.009 0.000 1.458 973 I CB 0.051 37.997 38.000 -0.090 0.000 1.105 973 I HN 0.066 nan 8.210 nan 0.000 0.445 974 S N 0.643 116.388 115.700 0.076 0.000 2.412 974 S HA 0.023 4.458 4.470 -0.059 0.000 0.223 974 S C 1.849 176.510 174.600 0.102 0.000 1.048 974 S CA 0.068 58.333 58.200 0.107 0.000 0.954 974 S CB -0.191 63.055 63.200 0.076 0.000 0.840 974 S HN 0.280 nan 8.310 nan 0.000 0.503 975 L N 3.367 124.632 121.223 0.070 0.000 2.089 975 L HA -0.072 4.233 4.340 -0.059 0.000 0.213 975 L C -0.983 175.898 176.870 0.018 0.000 1.079 975 L CA 1.968 56.834 54.840 0.044 0.000 0.758 975 L CB -1.967 40.117 42.059 0.041 0.000 0.891 975 L HN 0.222 nan 8.230 nan 0.000 0.433 976 P HA -0.111 nan 4.420 nan 0.000 0.230 976 P C 1.913 179.107 177.300 -0.177 0.000 1.158 976 P CA 0.654 63.726 63.100 -0.046 0.000 0.769 976 P CB -0.067 31.634 31.700 0.002 0.000 0.807 977 V N 0.314 120.141 119.914 -0.145 0.000 2.490 977 V HA -0.199 3.885 4.120 -0.059 0.000 0.250 977 V C 2.267 178.268 176.094 -0.154 0.000 1.061 977 V CA 1.378 63.534 62.300 -0.240 0.000 1.064 977 V CB -0.948 30.851 31.823 -0.041 0.000 0.670 977 V HN -0.081 nan 8.190 nan 0.000 0.461 978 I N 1.044 121.567 120.570 -0.078 0.000 2.208 978 I HA -0.155 3.979 4.170 -0.059 0.000 0.245 978 I C 2.644 178.726 176.117 -0.057 0.000 1.097 978 I CA 1.906 63.178 61.300 -0.046 0.000 1.363 978 I CB -2.064 35.925 38.000 -0.019 0.000 1.051 978 I HN 0.424 nan 8.210 nan 0.000 0.413 979 G N 0.903 109.654 108.800 -0.082 0.000 2.402 979 G HA2 -0.216 3.708 3.960 -0.059 0.000 0.216 979 G HA3 -0.216 3.708 3.960 -0.059 0.000 0.216 979 G C 1.746 176.593 174.900 -0.090 0.000 1.162 979 G CA 0.569 45.623 45.100 -0.076 0.000 0.777 979 G HN 0.339 nan 8.290 nan 0.000 0.539 980 L N 0.899 122.024 121.223 -0.164 0.000 2.012 980 L HA -0.074 4.230 4.340 -0.059 0.000 0.210 980 L C 2.077 178.899 176.870 -0.080 0.000 1.073 980 L CA 2.654 57.395 54.840 -0.167 0.000 0.748 980 L CB -0.546 41.322 42.059 -0.319 0.000 0.891 980 L HN 0.164 nan 8.230 nan 0.000 0.431 981 D N -0.947 119.410 120.400 -0.072 0.000 2.123 981 D HA -0.193 4.412 4.640 -0.059 0.000 0.200 981 D C 2.097 178.424 176.300 0.046 0.000 0.976 981 D CA 0.977 54.970 54.000 -0.012 0.000 0.831 981 D CB 0.130 40.922 40.800 -0.014 0.000 0.974 981 D HN 0.464 nan 8.370 nan 0.000 0.469 982 E N 0.163 120.380 120.200 0.028 0.000 2.118 982 E HA -0.130 4.184 4.350 -0.059 0.000 0.195 982 E C 2.163 178.827 176.600 0.106 0.000 0.992 982 E CA 0.983 57.418 56.400 0.058 0.000 0.804 982 E CB -0.276 29.436 29.700 0.020 0.000 0.741 982 E HN 0.400 nan 8.360 nan 0.000 0.458 983 I N -0.310 120.307 120.570 0.079 0.000 2.333 983 I HA -0.204 3.930 4.170 -0.059 0.000 0.246 983 I C 2.212 178.473 176.117 0.240 0.000 1.106 983 I CA 0.594 61.965 61.300 0.118 0.000 1.411 983 I CB -0.201 37.827 38.000 0.047 0.000 1.082 983 I HN 0.127 nan 8.210 nan 0.000 0.420 984 L N 0.661 122.017 121.223 0.222 0.000 2.079 984 L HA -0.238 4.066 4.340 -0.059 0.000 0.210 984 L C 2.572 179.715 176.870 0.455 0.000 1.081 984 L CA 1.548 56.603 54.840 0.359 0.000 0.752 984 L CB -0.538 41.648 42.059 0.213 0.000 0.896 984 L HN 0.214 nan 8.230 nan 0.000 0.433 985 K N -0.559 120.031 120.400 0.317 0.000 2.057 985 K HA -0.218 4.066 4.320 -0.059 0.000 0.207 985 K C 2.051 178.809 176.600 0.264 0.000 1.049 985 K CA 1.521 57.978 56.287 0.285 0.000 0.931 985 K CB -0.326 32.291 32.500 0.195 0.000 0.714 985 K HN 0.097 nan 8.250 nan 0.000 0.440 986 F N 1.896 121.921 119.950 0.125 0.000 2.250 986 F HA -0.186 4.305 4.527 -0.060 0.000 0.301 986 F C 1.687 177.545 175.800 0.097 0.000 1.077 986 F CA 1.116 59.169 58.000 0.089 0.000 1.348 986 F CB 0.019 39.059 39.000 0.068 0.000 1.040 986 F HN -0.052 nan 8.300 nan 0.000 0.509 987 I N -0.352 120.372 120.570 0.256 0.000 2.185 987 I HA -0.196 3.939 4.170 -0.059 0.000 0.235 987 I C 2.684 178.777 176.117 -0.040 0.000 1.069 987 I CA 1.060 62.455 61.300 0.158 0.000 1.354 987 I CB -1.098 37.071 38.000 0.281 0.000 1.093 987 I HN 0.067 nan 8.210 nan 0.000 0.411 988 A N 0.797 123.561 122.820 -0.093 0.000 2.076 988 A HA -0.249 4.035 4.320 -0.059 0.000 0.220 988 A C 2.390 179.860 177.584 -0.189 0.000 1.160 988 A CA 1.934 53.765 52.037 -0.343 0.000 0.653 988 A CB -0.726 18.219 19.000 -0.092 0.000 0.801 988 A HN 0.457 nan 8.150 nan 0.000 0.455 989 R N -0.929 119.505 120.500 -0.111 0.000 2.052 989 R HA -0.015 4.289 4.340 -0.059 0.000 0.224 989 R C 1.781 177.947 176.300 -0.222 0.000 1.149 989 R CA 1.284 57.300 56.100 -0.140 0.000 0.962 989 R CB -0.294 29.942 30.300 -0.106 0.000 0.856 989 R HN 0.471 nan 8.270 nan 0.000 0.433 990 N N -0.551 117.940 118.700 -0.348 0.000 2.305 990 N HA -0.113 4.592 4.740 -0.059 0.000 0.179 990 N C 1.597 176.986 175.510 -0.203 0.000 1.019 990 N CA 0.836 53.671 53.050 -0.359 0.000 0.869 990 N CB -0.213 37.858 38.487 -0.692 0.000 1.000 990 N HN 0.184 nan 8.380 nan 0.000 0.431 991 Y N 2.392 122.521 120.300 -0.285 0.000 2.109 991 Y HA -0.015 4.499 4.550 -0.060 0.000 0.281 991 Y C 2.094 177.860 175.900 -0.223 0.000 1.113 991 Y CA 1.250 59.226 58.100 -0.207 0.000 1.098 991 Y CB -0.703 37.654 38.460 -0.171 0.000 0.996 991 Y HN -0.134 nan 8.280 nan 0.000 0.485 992 L N 0.201 121.125 121.223 -0.498 0.000 1.863 992 L HA -0.103 4.202 4.340 -0.059 0.000 0.225 992 L C 1.673 178.308 176.870 -0.392 0.000 1.098 992 L CA 1.269 55.757 54.840 -0.588 0.000 0.814 992 L CB -1.101 40.613 42.059 -0.574 0.000 0.888 992 L HN 0.322 nan 8.230 nan 0.000 0.431 993 E N -0.154 119.870 120.200 -0.292 0.000 3.136 993 E HA 0.374 4.689 4.350 -0.059 0.000 0.271 993 E C 0.451 176.945 176.600 -0.177 0.000 1.454 993 E CA -0.175 56.104 56.400 -0.202 0.000 1.194 993 E CB -0.096 29.515 29.700 -0.148 0.000 1.175 993 E HN 0.468 nan 8.360 nan 0.000 0.726 994 G N 0.000 108.722 108.800 -0.130 0.000 5.446 994 G HA2 0.000 3.924 3.960 -0.059 0.000 0.244 994 G HA3 0.000 3.924 3.960 -0.059 0.000 0.244 994 G CA 0.000 45.033 45.100 -0.112 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925