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 3ar6_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 0.000 176.254 176.300 -0.077 0.000 1.140 1 M CA 0.000 55.189 55.300 -0.185 0.000 0.988 1 M CB 0.000 32.414 32.600 -0.309 0.000 1.302 2 E N 0.709 120.880 120.200 -0.048 0.000 2.409 2 E HA -0.015 4.336 4.350 0.001 0.000 0.198 2 E C 0.762 177.379 176.600 0.028 0.000 1.024 2 E CA 1.283 57.691 56.400 0.012 0.000 0.861 2 E CB -0.056 29.661 29.700 0.028 0.000 0.788 2 E HN 0.659 nan 8.360 nan 0.000 0.521 3 A N 0.620 123.403 122.820 -0.062 0.000 2.460 3 A HA 0.619 4.940 4.320 0.001 0.000 0.258 3 A C 2.015 179.453 177.584 -0.243 0.000 1.300 3 A CA 0.440 52.409 52.037 -0.113 0.000 0.913 3 A CB -0.099 18.813 19.000 -0.147 0.000 1.031 3 A HN 0.269 nan 8.150 nan 0.000 0.512 4 A N 1.120 123.865 122.820 -0.125 0.000 1.927 4 A HA -0.279 4.041 4.320 0.001 0.000 0.220 4 A C 2.059 179.557 177.584 -0.143 0.000 1.185 4 A CA 1.934 53.905 52.037 -0.109 0.000 0.639 4 A CB -1.125 17.867 19.000 -0.013 0.000 0.820 4 A HN 0.912 nan 8.150 nan 0.000 0.451 5 H N 0.265 119.324 119.070 -0.018 0.000 2.426 5 H HA -0.133 4.423 4.556 0.001 0.000 0.298 5 H C 1.805 177.125 175.328 -0.014 0.000 1.107 5 H CA 2.004 58.045 56.048 -0.012 0.000 1.298 5 H CB -0.773 28.996 29.762 0.011 0.000 1.377 5 H HN 0.583 nan 8.280 nan 0.000 0.519 6 S N 0.154 115.341 115.700 -0.855 0.000 2.575 6 S HA 0.141 4.612 4.470 0.001 0.000 0.215 6 S C 0.687 175.154 174.600 -0.222 0.000 0.966 6 S CA -0.573 57.365 58.200 -0.436 0.000 0.911 6 S CB 0.371 63.288 63.200 -0.472 0.000 0.780 6 S HN 0.211 nan 8.310 nan 0.000 0.514 7 K N 2.338 122.619 120.400 -0.199 0.000 2.106 7 K HA 0.439 4.759 4.320 0.001 0.000 0.246 7 K C 0.331 176.891 176.600 -0.067 0.000 0.987 7 K CA -0.258 55.959 56.287 -0.118 0.000 0.904 7 K CB 1.363 33.791 32.500 -0.119 0.000 1.071 7 K HN 0.375 nan 8.250 nan 0.000 0.453 8 S N -0.782 114.893 115.700 -0.041 0.000 2.614 8 S HA 0.030 4.500 4.470 0.001 0.000 0.265 8 S C 1.391 175.988 174.600 -0.005 0.000 1.303 8 S CA -0.035 58.153 58.200 -0.021 0.000 1.000 8 S CB 0.779 63.971 63.200 -0.014 0.000 0.935 8 S HN 0.652 nan 8.310 nan 0.000 0.551 9 T N -0.482 114.074 114.554 0.004 0.000 2.788 9 T HA -0.112 4.238 4.350 0.001 0.000 0.268 9 T C 1.271 175.990 174.700 0.032 0.000 1.044 9 T CA 1.517 63.628 62.100 0.019 0.000 1.139 9 T CB -0.774 68.103 68.868 0.015 0.000 0.867 9 T HN 0.729 nan 8.240 nan 0.000 0.454 10 E N 1.721 121.935 120.200 0.022 0.000 2.072 10 E HA -0.073 4.278 4.350 0.001 0.000 0.191 10 E C 2.301 178.926 176.600 0.041 0.000 0.985 10 E CA 1.274 57.691 56.400 0.028 0.000 0.801 10 E CB -0.288 29.421 29.700 0.016 0.000 0.750 10 E HN 0.685 nan 8.360 nan 0.000 0.452 11 E N -0.179 120.039 120.200 0.029 0.000 2.204 11 E HA -0.135 4.215 4.350 0.001 0.000 0.194 11 E C 1.773 178.413 176.600 0.067 0.000 0.989 11 E CA 0.881 57.301 56.400 0.034 0.000 0.824 11 E CB -0.082 29.619 29.700 0.002 0.000 0.756 11 E HN 0.291 nan 8.360 nan 0.000 0.477 12 C N 0.292 119.639 119.300 0.078 0.000 2.505 12 C HA 0.034 4.495 4.460 0.001 0.000 0.279 12 C C 2.499 177.646 174.990 0.263 0.000 1.316 12 C CA 0.052 59.161 59.018 0.151 0.000 1.720 12 C CB -0.684 27.137 27.740 0.136 0.000 2.050 12 C HN 0.391 nan 8.230 nan 0.000 0.493 13 L N 1.314 122.645 121.223 0.180 0.000 2.046 13 L HA -0.143 4.197 4.340 0.001 0.000 0.208 13 L C 2.890 179.866 176.870 0.175 0.000 1.077 13 L CA 1.658 56.605 54.840 0.179 0.000 0.747 13 L CB -0.784 41.335 42.059 0.101 0.000 0.896 13 L HN 0.337 nan 8.230 nan 0.000 0.432 14 A N -0.580 122.314 122.820 0.124 0.000 1.858 14 A HA -0.298 4.023 4.320 0.001 0.000 0.216 14 A C 2.207 179.836 177.584 0.075 0.000 1.190 14 A CA 1.610 53.698 52.037 0.085 0.000 0.617 14 A CB -1.055 17.978 19.000 0.056 0.000 0.827 14 A HN 0.443 nan 8.150 nan 0.000 0.443 15 Y N -0.490 119.780 120.300 -0.051 0.000 2.102 15 Y HA -0.293 4.258 4.550 0.001 0.000 0.280 15 Y C 1.730 177.502 175.900 -0.214 0.000 1.178 15 Y CA 2.392 60.375 58.100 -0.196 0.000 1.146 15 Y CB -0.425 37.807 38.460 -0.379 0.000 0.968 15 Y HN 0.284 nan 8.280 nan 0.000 0.504 16 F N -0.204 119.821 119.950 0.125 0.000 2.789 16 F HA 0.261 4.788 4.527 0.001 0.000 0.300 16 F C 1.807 177.661 175.800 0.090 0.000 1.132 16 F CA 0.668 58.729 58.000 0.102 0.000 1.404 16 F CB -0.322 38.813 39.000 0.224 0.000 1.114 16 F HN 0.122 nan 8.300 nan 0.000 0.584 17 G N 1.676 110.588 108.800 0.186 0.000 2.314 17 G HA2 -0.191 3.770 3.960 0.001 0.000 0.292 17 G HA3 -0.191 3.770 3.960 0.001 0.000 0.292 17 G C -0.285 174.695 174.900 0.133 0.000 1.059 17 G CA 0.387 45.558 45.100 0.119 0.000 0.982 17 G HN 0.349 nan 8.290 nan 0.000 0.505 18 V N -0.502 119.504 119.914 0.154 0.000 2.815 18 V HA 0.864 4.984 4.120 0.001 0.000 0.314 18 V C 0.519 176.653 176.094 0.067 0.000 1.064 18 V CA 0.011 62.372 62.300 0.101 0.000 0.952 18 V CB 2.109 33.995 31.823 0.104 0.000 1.020 18 V HN 1.010 nan 8.190 nan 0.000 0.439 19 S N 3.107 118.829 115.700 0.036 0.000 2.475 19 S HA 0.257 4.727 4.470 0.001 0.000 0.281 19 S C 0.912 175.517 174.600 0.007 0.000 1.198 19 S CA 0.309 58.520 58.200 0.018 0.000 1.063 19 S CB 1.160 64.363 63.200 0.005 0.000 0.972 19 S HN 0.991 nan 8.310 nan 0.000 0.486 20 E N 3.082 123.282 120.200 -0.000 0.000 2.110 20 E HA -0.155 4.195 4.350 0.001 0.000 0.193 20 E C 1.623 178.183 176.600 -0.067 0.000 0.988 20 E CA 1.834 58.223 56.400 -0.019 0.000 0.804 20 E CB -0.232 29.457 29.700 -0.018 0.000 0.745 20 E HN 0.878 nan 8.360 nan 0.000 0.458 21 T N -2.403 112.110 114.554 -0.069 0.000 2.985 21 T HA -0.072 4.278 4.350 0.001 0.000 0.266 21 T C 2.010 176.648 174.700 -0.104 0.000 1.076 21 T CA 1.419 63.452 62.100 -0.111 0.000 1.135 21 T CB -0.159 68.661 68.868 -0.079 0.000 0.890 21 T HN 0.269 nan 8.240 nan 0.000 0.480 22 T N -1.761 112.765 114.554 -0.046 0.000 3.038 22 T HA 0.536 4.886 4.350 0.001 0.000 0.244 22 T C 1.339 176.055 174.700 0.026 0.000 1.016 22 T CA 0.813 62.905 62.100 -0.012 0.000 1.098 22 T CB -0.220 68.645 68.868 -0.005 0.000 0.954 22 T HN 1.220 nan 8.240 nan 0.000 0.469 23 G N 1.254 110.068 108.800 0.023 0.000 2.610 23 G HA2 -0.023 3.937 3.960 0.001 0.000 0.304 23 G HA3 -0.023 3.937 3.960 0.001 0.000 0.304 23 G C -0.889 174.012 174.900 0.001 0.000 1.309 23 G CA -0.549 44.573 45.100 0.036 0.000 0.906 23 G HN 0.651 nan 8.290 nan 0.000 0.521 24 L N 1.164 122.370 121.223 -0.028 0.000 2.417 24 L HA 0.508 4.849 4.340 0.001 0.000 0.268 24 L C 1.756 178.590 176.870 -0.060 0.000 1.158 24 L CA -0.039 54.755 54.840 -0.076 0.000 0.819 24 L CB 0.989 42.950 42.059 -0.164 0.000 1.112 24 L HN 1.005 nan 8.230 nan 0.000 0.458 25 T N -1.540 112.976 114.554 -0.064 0.000 2.849 25 T HA 0.235 4.586 4.350 0.001 0.000 0.284 25 T C -1.589 173.080 174.700 -0.052 0.000 1.004 25 T CA -1.653 60.422 62.100 -0.042 0.000 1.021 25 T CB 1.179 70.030 68.868 -0.028 0.000 1.013 25 T HN 0.471 nan 8.240 nan 0.000 0.527 26 P HA -0.101 nan 4.420 nan 0.000 0.219 26 P C 0.859 178.142 177.300 -0.028 0.000 1.146 26 P CA 1.235 64.319 63.100 -0.026 0.000 0.808 26 P CB 0.072 31.765 31.700 -0.013 0.000 0.779 27 D N -0.418 119.968 120.400 -0.025 0.000 2.183 27 D HA -0.122 4.519 4.640 0.001 0.000 0.203 27 D C 2.270 178.556 176.300 -0.024 0.000 0.969 27 D CA 0.967 54.958 54.000 -0.014 0.000 0.842 27 D CB -0.297 40.501 40.800 -0.004 0.000 0.957 27 D HN 0.109 nan 8.370 nan 0.000 0.484 28 Q N -0.442 119.313 119.800 -0.076 0.000 2.079 28 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 28 Q C 2.281 178.128 176.000 -0.257 0.000 0.974 28 Q CA 0.967 56.654 55.803 -0.193 0.000 0.840 28 Q CB 0.131 28.684 28.738 -0.308 0.000 0.898 28 Q HN 0.210 nan 8.270 nan 0.000 0.430 29 V N 1.404 121.219 119.914 -0.165 0.000 2.233 29 V HA -0.320 3.801 4.120 0.001 0.000 0.247 29 V C 2.077 178.172 176.094 0.001 0.000 1.050 29 V CA 2.008 64.257 62.300 -0.085 0.000 1.010 29 V CB -0.500 31.291 31.823 -0.053 0.000 0.637 29 V HN 0.327 nan 8.190 nan 0.000 0.444 30 K N -0.272 120.129 120.400 0.001 0.000 2.044 30 K HA -0.238 4.082 4.320 0.001 0.000 0.210 30 K C 2.351 178.975 176.600 0.041 0.000 1.049 30 K CA 1.890 58.186 56.287 0.016 0.000 0.927 30 K CB -0.321 32.186 32.500 0.011 0.000 0.713 30 K HN 0.378 nan 8.250 nan 0.000 0.443 31 R N -0.198 120.345 120.500 0.071 0.000 2.081 31 R HA -0.084 4.256 4.340 0.001 0.000 0.235 31 R C 2.252 178.662 176.300 0.182 0.000 1.131 31 R CA 1.377 57.543 56.100 0.111 0.000 0.960 31 R CB -0.287 30.100 30.300 0.144 0.000 0.856 31 R HN 0.460 nan 8.270 nan 0.000 0.436 32 H N -0.451 118.658 119.070 0.065 0.000 2.395 32 H HA -0.082 4.474 4.556 0.001 0.000 0.299 32 H C 1.952 177.365 175.328 0.142 0.000 1.070 32 H CA 0.771 56.925 56.048 0.177 0.000 1.356 32 H CB 0.205 30.098 29.762 0.219 0.000 1.401 32 H HN 0.051 nan 8.280 nan 0.000 0.524 33 L N 1.471 122.790 121.223 0.161 0.000 2.056 33 L HA -0.137 4.204 4.340 0.001 0.000 0.207 33 L C 2.308 179.147 176.870 -0.051 0.000 1.078 33 L CA 1.666 56.510 54.840 0.005 0.000 0.749 33 L CB -0.437 41.574 42.059 -0.079 0.000 0.901 33 L HN 0.102 nan 8.230 nan 0.000 0.433 34 E N -0.262 119.918 120.200 -0.032 0.000 2.150 34 E HA -0.243 4.107 4.350 0.001 0.000 0.193 34 E C 2.239 178.784 176.600 -0.091 0.000 0.985 34 E CA 1.447 57.816 56.400 -0.052 0.000 0.814 34 E CB -0.118 29.563 29.700 -0.032 0.000 0.752 34 E HN 0.488 nan 8.360 nan 0.000 0.466 35 K N -1.305 119.002 120.400 -0.156 0.000 2.067 35 K HA -0.084 4.236 4.320 0.001 0.000 0.203 35 K C 1.122 177.462 176.600 -0.435 0.000 1.048 35 K CA 1.052 57.120 56.287 -0.364 0.000 0.954 35 K CB -0.074 32.059 32.500 -0.611 0.000 0.737 35 K HN 0.177 nan 8.250 nan 0.000 0.444 36 Y N 0.137 120.440 120.300 0.005 0.000 2.449 36 Y HA 0.289 4.839 4.550 0.001 0.000 0.254 36 Y C 0.959 176.860 175.900 0.001 0.000 1.140 36 Y CA 0.203 58.312 58.100 0.016 0.000 1.272 36 Y CB 0.588 39.069 38.460 0.034 0.000 1.114 36 Y HN 0.312 nan 8.280 nan 0.000 0.525 37 G N 0.228 109.065 108.800 0.061 0.000 2.796 37 G HA2 -0.234 3.727 3.960 0.001 0.000 0.226 37 G HA3 -0.234 3.727 3.960 0.001 0.000 0.226 37 G C -0.620 174.265 174.900 -0.025 0.000 1.381 37 G CA -0.668 44.432 45.100 0.002 0.000 0.867 37 G HN 0.342 nan 8.290 nan 0.000 0.552 38 H N 0.041 119.155 119.070 0.074 0.000 2.679 38 H HA 0.230 4.786 4.556 0.001 0.000 0.369 38 H C 0.948 176.312 175.328 0.060 0.000 1.178 38 H CA 0.488 56.572 56.048 0.061 0.000 1.419 38 H CB 0.874 30.662 29.762 0.042 0.000 1.458 38 H HN 0.504 nan 8.280 nan 0.000 0.605 39 N N 2.015 120.824 118.700 0.181 0.000 2.807 39 N HA 0.016 4.757 4.740 0.001 0.000 0.259 39 N C -1.039 174.527 175.510 0.094 0.000 1.149 39 N CA -0.236 52.879 53.050 0.109 0.000 1.042 39 N CB -0.130 38.402 38.487 0.075 0.000 1.367 39 N HN 0.637 nan 8.380 nan 0.000 0.516 40 E N 0.695 120.950 120.200 0.092 0.000 2.388 40 E HA 0.231 4.582 4.350 0.001 0.000 0.281 40 E C -1.455 175.182 176.600 0.061 0.000 1.046 40 E CA -0.956 55.484 56.400 0.066 0.000 0.825 40 E CB 0.373 30.104 29.700 0.052 0.000 1.243 40 E HN -0.044 nan 8.360 nan 0.000 0.438 41 L N 2.202 123.454 121.223 0.048 0.000 2.417 41 L HA 0.356 4.697 4.340 0.001 0.000 0.268 41 L C -1.930 174.962 176.870 0.036 0.000 1.158 41 L CA -1.683 53.183 54.840 0.043 0.000 0.819 41 L CB -0.419 41.663 42.059 0.039 0.000 1.112 41 L HN 0.534 nan 8.230 nan 0.000 0.458 42 P HA 0.125 nan 4.420 nan 0.000 0.269 42 P C -1.017 176.294 177.300 0.018 0.000 1.215 42 P CA -0.472 62.645 63.100 0.028 0.000 0.780 42 P CB 0.493 32.209 31.700 0.028 0.000 0.898 43 A N 2.213 125.041 122.820 0.013 0.000 2.371 43 A HA 0.243 4.564 4.320 0.001 0.000 0.257 43 A C 0.624 178.211 177.584 0.004 0.000 1.089 43 A CA -0.580 51.460 52.037 0.005 0.000 0.794 43 A CB -0.300 18.700 19.000 0.001 0.000 1.029 43 A HN 0.661 nan 8.150 nan 0.000 0.488 44 E N 1.738 121.938 120.200 -0.000 0.000 2.437 44 E HA 0.046 4.397 4.350 0.001 0.000 0.263 44 E C 0.018 176.618 176.600 -0.000 0.000 1.030 44 E CA -0.277 56.122 56.400 -0.002 0.000 0.934 44 E CB 0.502 30.197 29.700 -0.008 0.000 0.943 44 E HN 0.637 nan 8.360 nan 0.000 0.444 45 E N 2.449 122.649 120.200 0.000 0.000 2.292 45 E HA 0.068 4.419 4.350 0.001 0.000 0.265 45 E C -0.107 176.494 176.600 0.002 0.000 1.093 45 E CA -0.315 56.087 56.400 0.003 0.000 0.922 45 E CB 0.225 29.927 29.700 0.003 0.000 1.001 45 E HN 0.630 nan 8.360 nan 0.000 0.444 46 G N 4.586 113.389 108.800 0.005 0.000 2.380 46 G HA2 -0.044 3.917 3.960 0.001 0.000 0.242 46 G HA3 -0.044 3.917 3.960 0.001 0.000 0.242 46 G C -0.425 174.482 174.900 0.012 0.000 1.298 46 G CA -0.229 44.875 45.100 0.007 0.000 0.878 46 G HN 0.522 nan 8.290 nan 0.000 0.542 47 K N 1.782 122.187 120.400 0.009 0.000 2.425 47 K HA 0.366 4.687 4.320 0.001 0.000 0.259 47 K C 0.563 177.178 176.600 0.026 0.000 0.978 47 K CA -0.546 55.748 56.287 0.012 0.000 0.883 47 K CB 0.797 33.295 32.500 -0.004 0.000 1.110 47 K HN 0.599 nan 8.250 nan 0.000 0.436 48 S N 3.498 119.229 115.700 0.051 0.000 2.579 48 S HA -0.008 4.462 4.470 0.001 0.000 0.275 48 S C 1.238 175.892 174.600 0.091 0.000 1.345 48 S CA -0.707 57.542 58.200 0.082 0.000 1.031 48 S CB 0.918 64.194 63.200 0.128 0.000 0.892 48 S HN 0.686 nan 8.310 nan 0.000 0.529 49 L N 2.207 123.495 121.223 0.108 0.000 2.127 49 L HA -0.017 4.323 4.340 0.001 0.000 0.211 49 L C 1.982 178.949 176.870 0.161 0.000 1.089 49 L CA 1.695 56.600 54.840 0.109 0.000 0.757 49 L CB -0.942 41.186 42.059 0.116 0.000 0.899 49 L HN 0.937 nan 8.230 nan 0.000 0.434 50 W N 0.603 121.916 121.300 0.022 0.000 2.381 50 W HA -0.204 4.456 4.660 0.001 0.000 0.301 50 W C 1.981 178.520 176.519 0.034 0.000 1.205 50 W CA 1.695 59.058 57.345 0.031 0.000 1.285 50 W CB 0.045 29.521 29.460 0.027 0.000 1.133 50 W HN 0.289 nan 8.180 nan 0.000 0.521 51 E N 0.491 120.676 120.200 -0.026 0.000 2.106 51 E HA -0.252 4.098 4.350 0.001 0.000 0.192 51 E C 2.025 178.532 176.600 -0.156 0.000 0.984 51 E CA 1.265 57.583 56.400 -0.138 0.000 0.806 51 E CB -0.502 29.195 29.700 -0.006 0.000 0.750 51 E HN 0.155 nan 8.360 nan 0.000 0.458 52 L N 0.475 121.645 121.223 -0.088 0.000 2.217 52 L HA -0.086 4.254 4.340 0.001 0.000 0.211 52 L C 1.983 178.773 176.870 -0.134 0.000 1.107 52 L CA 1.120 55.908 54.840 -0.086 0.000 0.783 52 L CB 0.140 42.176 42.059 -0.038 0.000 0.919 52 L HN -0.067 nan 8.230 nan 0.000 0.442 53 V N -0.754 119.059 119.914 -0.168 0.000 2.649 53 V HA -0.135 3.985 4.120 0.001 0.000 0.248 53 V C 2.318 178.241 176.094 -0.285 0.000 1.054 53 V CA 0.849 63.031 62.300 -0.197 0.000 1.073 53 V CB -0.251 31.510 31.823 -0.103 0.000 0.699 53 V HN 0.282 nan 8.190 nan 0.000 0.463 54 I N 0.268 120.589 120.570 -0.416 0.000 2.353 54 I HA -0.123 4.047 4.170 0.001 0.000 0.248 54 I C 2.374 178.392 176.117 -0.165 0.000 1.119 54 I CA 1.296 62.394 61.300 -0.336 0.000 1.417 54 I CB -1.133 36.544 38.000 -0.538 0.000 1.078 54 I HN 0.436 nan 8.210 nan 0.000 0.421 55 E N 0.405 120.498 120.200 -0.178 0.000 2.333 55 E HA -0.204 4.147 4.350 0.001 0.000 0.198 55 E C 1.980 178.492 176.600 -0.147 0.000 1.007 55 E CA 0.491 56.817 56.400 -0.124 0.000 0.845 55 E CB 0.047 29.685 29.700 -0.104 0.000 0.766 55 E HN 0.491 nan 8.360 nan 0.000 0.507 56 Q N -0.369 119.280 119.800 -0.252 0.000 2.123 56 Q HA -0.070 4.270 4.340 0.001 0.000 0.199 56 Q C 0.923 176.678 176.000 -0.408 0.000 0.966 56 Q CA 0.943 56.518 55.803 -0.379 0.000 0.845 56 Q CB -0.073 28.314 28.738 -0.586 0.000 0.907 56 Q HN 0.312 nan 8.270 nan 0.000 0.439 57 F N 0.737 120.632 119.950 -0.092 0.000 2.913 57 F HA 0.144 4.672 4.527 0.001 0.000 0.293 57 F C 1.655 177.415 175.800 -0.066 0.000 1.223 57 F CA -0.063 57.892 58.000 -0.075 0.000 1.393 57 F CB -0.073 38.874 39.000 -0.087 0.000 1.102 57 F HN 0.114 nan 8.300 nan 0.000 0.524 58 E N -0.140 120.079 120.200 0.033 0.000 2.340 58 E HA -0.047 4.303 4.350 0.001 0.000 0.198 58 E C 0.422 177.030 176.600 0.014 0.000 0.961 58 E CA -0.057 56.352 56.400 0.016 0.000 0.905 58 E CB 0.286 29.974 29.700 -0.020 0.000 0.884 58 E HN 0.299 nan 8.360 nan 0.000 0.491 59 D N 0.227 120.632 120.400 0.008 0.000 2.400 59 D HA -0.072 4.568 4.640 0.001 0.000 0.238 59 D C 1.182 177.494 176.300 0.020 0.000 1.157 59 D CA 0.129 54.135 54.000 0.010 0.000 0.889 59 D CB 0.958 41.761 40.800 0.005 0.000 1.199 59 D HN 0.106 nan 8.370 nan 0.000 0.436 60 L N 2.596 123.824 121.223 0.009 0.000 2.046 60 L HA -0.141 4.200 4.340 0.001 0.000 0.208 60 L C 2.076 178.947 176.870 0.002 0.000 1.077 60 L CA 0.886 55.726 54.840 -0.000 0.000 0.747 60 L CB -0.156 41.892 42.059 -0.018 0.000 0.896 60 L HN 0.592 nan 8.230 nan 0.000 0.432 61 L N -0.845 120.381 121.223 0.006 0.000 2.156 61 L HA -0.140 4.201 4.340 0.001 0.000 0.208 61 L C 2.502 179.391 176.870 0.031 0.000 1.095 61 L CA 0.832 55.678 54.840 0.010 0.000 0.770 61 L CB -0.597 41.475 42.059 0.022 0.000 0.914 61 L HN 0.252 nan 8.230 nan 0.000 0.439 62 V N -2.750 117.193 119.914 0.049 0.000 2.667 62 V HA -0.161 3.960 4.120 0.001 0.000 0.252 62 V C 2.446 178.609 176.094 0.114 0.000 1.065 62 V CA 1.061 63.416 62.300 0.093 0.000 1.083 62 V CB -0.721 31.166 31.823 0.107 0.000 0.692 62 V HN 0.342 nan 8.190 nan 0.000 0.468 63 R N 0.013 120.559 120.500 0.078 0.000 2.062 63 R HA 0.036 4.376 4.340 0.001 0.000 0.231 63 R C 2.420 178.732 176.300 0.021 0.000 1.136 63 R CA 1.778 57.907 56.100 0.049 0.000 0.948 63 R CB -0.434 29.883 30.300 0.029 0.000 0.845 63 R HN 0.386 nan 8.270 nan 0.000 0.430 64 I N 1.440 122.016 120.570 0.010 0.000 2.151 64 I HA -0.300 3.870 4.170 0.001 0.000 0.243 64 I C 2.388 178.509 176.117 0.006 0.000 1.080 64 I CA 1.657 62.954 61.300 -0.005 0.000 1.339 64 I CB -1.113 36.876 38.000 -0.019 0.000 1.039 64 I HN 0.219 nan 8.210 nan 0.000 0.409 65 L N -0.274 120.963 121.223 0.023 0.000 2.046 65 L HA -0.229 4.111 4.340 0.001 0.000 0.208 65 L C 2.598 179.488 176.870 0.033 0.000 1.077 65 L CA 0.864 55.724 54.840 0.033 0.000 0.747 65 L CB -0.633 41.455 42.059 0.048 0.000 0.896 65 L HN 0.243 nan 8.230 nan 0.000 0.432 66 L N -0.187 121.054 121.223 0.029 0.000 2.046 66 L HA -0.195 4.145 4.340 0.001 0.000 0.208 66 L C 2.286 179.151 176.870 -0.008 0.000 1.077 66 L CA 1.561 56.393 54.840 -0.013 0.000 0.747 66 L CB -0.547 41.465 42.059 -0.079 0.000 0.896 66 L HN 0.133 nan 8.230 nan 0.000 0.432 67 L N 0.102 121.325 121.223 0.001 0.000 2.046 67 L HA -0.075 4.265 4.340 0.001 0.000 0.208 67 L C 2.496 179.388 176.870 0.036 0.000 1.077 67 L CA 2.095 56.944 54.840 0.014 0.000 0.747 67 L CB -1.169 40.892 42.059 0.002 0.000 0.896 67 L HN 0.278 nan 8.230 nan 0.000 0.432 68 A N -0.485 122.352 122.820 0.029 0.000 1.933 68 A HA -0.101 4.220 4.320 0.001 0.000 0.218 68 A C 2.445 180.074 177.584 0.076 0.000 1.175 68 A CA 1.752 53.814 52.037 0.041 0.000 0.628 68 A CB -1.106 17.910 19.000 0.026 0.000 0.814 68 A HN 0.597 nan 8.150 nan 0.000 0.444 69 A N -0.995 121.867 122.820 0.069 0.000 1.930 69 A HA -0.125 4.196 4.320 0.001 0.000 0.217 69 A C 2.302 179.978 177.584 0.154 0.000 1.175 69 A CA 1.602 53.694 52.037 0.092 0.000 0.627 69 A CB -1.166 17.856 19.000 0.037 0.000 0.815 69 A HN 0.605 nan 8.150 nan 0.000 0.443 70 C N -0.278 119.101 119.300 0.131 0.000 2.473 70 C HA -0.073 4.387 4.460 0.001 0.000 0.279 70 C C 2.526 177.663 174.990 0.245 0.000 1.250 70 C CA 0.763 59.899 59.018 0.197 0.000 1.713 70 C CB -1.121 26.694 27.740 0.125 0.000 2.066 70 C HN 0.585 nan 8.230 nan 0.000 0.474 71 I N 1.377 122.061 120.570 0.189 0.000 2.151 71 I HA -0.188 3.982 4.170 0.001 0.000 0.243 71 I C 2.679 178.920 176.117 0.207 0.000 1.080 71 I CA 1.865 63.293 61.300 0.212 0.000 1.339 71 I CB -1.805 36.318 38.000 0.205 0.000 1.039 71 I HN 0.350 nan 8.210 nan 0.000 0.409 72 S N 0.114 115.931 115.700 0.195 0.000 2.419 72 S HA -0.175 4.295 4.470 0.001 0.000 0.233 72 S C 1.933 176.691 174.600 0.263 0.000 1.016 72 S CA 0.883 59.195 58.200 0.186 0.000 0.974 72 S CB -0.350 62.947 63.200 0.163 0.000 0.786 72 S HN 0.391 nan 8.310 nan 0.000 0.492 73 F N 1.636 121.691 119.950 0.176 0.000 2.179 73 F HA 0.151 4.678 4.527 0.001 0.000 0.292 73 F C 2.019 178.020 175.800 0.335 0.000 1.089 73 F CA 0.910 59.079 58.000 0.282 0.000 1.295 73 F CB -0.664 38.500 39.000 0.273 0.000 1.041 73 F HN 0.037 nan 8.300 nan 0.000 0.487 74 V N 0.335 120.352 119.914 0.171 0.000 2.427 74 V HA -0.230 3.890 4.120 0.001 0.000 0.248 74 V C 2.321 178.562 176.094 0.245 0.000 1.051 74 V CA 1.483 63.860 62.300 0.128 0.000 1.048 74 V CB -0.720 31.177 31.823 0.124 0.000 0.666 74 V HN 0.330 nan 8.190 nan 0.000 0.456 75 L N 0.480 121.796 121.223 0.156 0.000 2.217 75 L HA 0.080 4.421 4.340 0.001 0.000 0.211 75 L C 2.213 179.115 176.870 0.053 0.000 1.107 75 L CA 1.846 56.756 54.840 0.117 0.000 0.783 75 L CB -0.574 41.540 42.059 0.091 0.000 0.919 75 L HN 0.251 nan 8.230 nan 0.000 0.442 76 A N -2.222 120.563 122.820 -0.058 0.000 2.251 76 A HA -0.099 4.221 4.320 0.001 0.000 0.209 76 A C 1.927 179.177 177.584 -0.556 0.000 1.187 76 A CA 0.107 51.901 52.037 -0.404 0.000 0.823 76 A CB -0.775 17.844 19.000 -0.635 0.000 0.846 76 A HN 0.675 nan 8.150 nan 0.000 0.486 77 W N -0.834 120.266 121.300 -0.334 0.000 2.704 77 W HA 0.173 4.833 4.660 0.001 0.000 0.266 77 W C -0.577 175.635 176.519 -0.512 0.000 1.266 77 W CA 0.617 57.754 57.345 -0.347 0.000 1.377 77 W CB 0.253 29.439 29.460 -0.457 0.000 1.082 77 W HN 0.301 nan 8.180 nan 0.000 0.608 78 F N 1.609 121.623 119.950 0.108 0.000 2.908 78 F HA 0.284 4.811 4.527 0.001 0.000 0.328 78 F C 0.369 176.156 175.800 -0.022 0.000 1.211 78 F CA -0.586 57.449 58.000 0.058 0.000 1.291 78 F CB -0.729 38.321 39.000 0.083 0.000 0.962 78 F HN -0.266 nan 8.300 nan 0.000 0.505 79 E N 1.495 121.709 120.200 0.023 0.000 2.383 79 E HA 0.087 4.438 4.350 0.001 0.000 0.264 79 E C -0.169 176.425 176.600 -0.009 0.000 1.050 79 E CA -0.327 56.063 56.400 -0.016 0.000 0.896 79 E CB 0.779 30.412 29.700 -0.112 0.000 0.982 79 E HN 0.085 nan 8.360 nan 0.000 0.424 80 E N 2.084 122.286 120.200 0.004 0.000 2.167 80 E HA 0.401 4.752 4.350 0.001 0.000 0.284 80 E C 0.296 176.889 176.600 -0.011 0.000 1.016 80 E CA 0.065 56.468 56.400 0.005 0.000 0.817 80 E CB 1.279 30.990 29.700 0.019 0.000 1.080 80 E HN 0.820 nan 8.360 nan 0.000 0.397 81 G N 3.219 112.008 108.800 -0.018 0.000 2.253 81 G HA2 -0.147 3.814 3.960 0.001 0.000 0.190 81 G HA3 -0.147 3.814 3.960 0.001 0.000 0.190 81 G C -0.392 174.487 174.900 -0.034 0.000 1.274 81 G CA 0.146 45.233 45.100 -0.022 0.000 1.275 81 G HN 0.471 nan 8.290 nan 0.000 0.518 82 E N -0.041 120.136 120.200 -0.037 0.000 2.694 82 E HA 0.108 4.459 4.350 0.001 0.000 0.142 82 E C -0.243 176.333 176.600 -0.039 0.000 0.861 82 E CA 0.331 56.706 56.400 -0.042 0.000 1.387 82 E CB -0.353 29.326 29.700 -0.035 0.000 0.989 82 E HN 0.488 nan 8.360 nan 0.000 0.462 83 E N 1.325 121.500 120.200 -0.042 0.000 2.705 83 E HA 0.045 4.396 4.350 0.001 0.000 0.272 83 E C 1.070 177.645 176.600 -0.042 0.000 1.528 83 E CA 0.480 56.856 56.400 -0.040 0.000 1.750 83 E CB 0.331 30.007 29.700 -0.040 0.000 1.439 83 E HN 0.265 nan 8.360 nan 0.000 0.449 84 T N -0.123 114.413 114.554 -0.030 0.000 2.881 84 T HA -0.173 4.178 4.350 0.001 0.000 0.270 84 T C 1.612 176.324 174.700 0.022 0.000 1.068 84 T CA 0.828 62.933 62.100 0.009 0.000 1.131 84 T CB -0.153 68.731 68.868 0.027 0.000 0.871 84 T HN 0.378 nan 8.240 nan 0.000 0.479 85 I N 0.893 121.457 120.570 -0.011 0.000 2.493 85 I HA 0.060 4.231 4.170 0.001 0.000 0.254 85 I C 1.745 177.843 176.117 -0.032 0.000 1.160 85 I CA 1.406 62.692 61.300 -0.023 0.000 1.445 85 I CB -0.101 37.879 38.000 -0.033 0.000 1.086 85 I HN 0.245 nan 8.210 nan 0.000 0.433 86 T N -0.827 113.705 114.554 -0.036 0.000 3.487 86 T HA 0.617 4.967 4.350 0.001 0.000 0.287 86 T C 0.679 175.348 174.700 -0.052 0.000 1.004 86 T CA 0.282 62.349 62.100 -0.054 0.000 0.977 86 T CB -0.303 68.524 68.868 -0.068 0.000 1.180 86 T HN 0.291 nan 8.240 nan 0.000 0.490 87 A N 0.413 123.208 122.820 -0.041 0.000 2.182 87 A HA 0.463 4.783 4.320 0.001 0.000 0.222 87 A C 1.024 178.542 177.584 -0.109 0.000 1.904 87 A CA 0.033 51.999 52.037 -0.120 0.000 0.808 87 A CB -0.678 18.197 19.000 -0.209 0.000 1.404 87 A HN 0.440 nan 8.150 nan 0.000 0.587 88 F N 1.124 121.097 119.950 0.038 0.000 2.724 88 F HA -0.038 4.489 4.527 0.001 0.000 0.297 88 F C 1.974 177.850 175.800 0.127 0.000 1.200 88 F CA 0.415 58.486 58.000 0.118 0.000 1.468 88 F CB -0.357 38.715 39.000 0.121 0.000 1.116 88 F HN -0.003 nan 8.300 nan 0.000 0.599 89 V N -0.289 119.729 119.914 0.173 0.000 2.270 89 V HA -0.305 3.816 4.120 0.001 0.000 0.245 89 V C 2.417 178.621 176.094 0.184 0.000 1.043 89 V CA 2.171 64.549 62.300 0.129 0.000 1.014 89 V CB -0.603 31.220 31.823 -0.000 0.000 0.645 89 V HN 0.371 nan 8.190 nan 0.000 0.447 90 E N 1.122 121.395 120.200 0.121 0.000 2.035 90 E HA -0.235 4.115 4.350 0.001 0.000 0.204 90 E C -0.145 176.564 176.600 0.181 0.000 1.025 90 E CA 2.305 58.778 56.400 0.122 0.000 0.835 90 E CB -1.021 28.726 29.700 0.079 0.000 0.764 90 E HN 0.499 nan 8.360 nan 0.000 0.457 91 P HA -0.166 nan 4.420 nan 0.000 0.221 91 P C 1.257 178.702 177.300 0.241 0.000 1.145 91 P CA 1.080 64.338 63.100 0.265 0.000 0.795 91 P CB -0.206 31.748 31.700 0.423 0.000 0.775 92 F N 0.918 120.958 119.950 0.149 0.000 2.187 92 F HA -0.104 4.423 4.527 0.001 0.000 0.295 92 F C 2.213 178.059 175.800 0.075 0.000 1.091 92 F CA 1.029 59.089 58.000 0.100 0.000 1.308 92 F CB -0.653 38.409 39.000 0.104 0.000 1.030 92 F HN -0.331 nan 8.300 nan 0.000 0.487 93 V N 0.870 120.909 119.914 0.208 0.000 2.343 93 V HA -0.318 3.802 4.120 0.001 0.000 0.247 93 V C 2.390 178.506 176.094 0.036 0.000 1.051 93 V CA 2.036 64.409 62.300 0.120 0.000 1.036 93 V CB -0.680 31.235 31.823 0.154 0.000 0.654 93 V HN 0.327 nan 8.190 nan 0.000 0.451 94 I N -0.431 120.170 120.570 0.052 0.000 2.142 94 I HA -0.288 3.882 4.170 0.001 0.000 0.240 94 I C 2.459 178.569 176.117 -0.011 0.000 1.078 94 I CA 1.820 63.142 61.300 0.037 0.000 1.343 94 I CB -0.392 37.643 38.000 0.058 0.000 1.046 94 I HN 0.267 nan 8.210 nan 0.000 0.405 95 L N 0.626 121.812 121.223 -0.063 0.000 2.079 95 L HA -0.236 4.105 4.340 0.001 0.000 0.210 95 L C 2.520 179.289 176.870 -0.168 0.000 1.081 95 L CA 1.348 56.115 54.840 -0.122 0.000 0.752 95 L CB -0.099 41.839 42.059 -0.202 0.000 0.896 95 L HN 0.296 nan 8.230 nan 0.000 0.433 96 L N -0.612 120.451 121.223 -0.267 0.000 2.093 96 L HA -0.193 4.147 4.340 0.001 0.000 0.208 96 L C 2.316 179.134 176.870 -0.086 0.000 1.085 96 L CA 1.290 55.986 54.840 -0.239 0.000 0.755 96 L CB -0.120 41.773 42.059 -0.277 0.000 0.904 96 L HN 0.200 nan 8.230 nan 0.000 0.435 97 I N -0.394 120.152 120.570 -0.041 0.000 2.315 97 I HA -0.295 3.875 4.170 0.001 0.000 0.248 97 I C 2.298 178.415 176.117 -0.001 0.000 1.117 97 I CA 1.112 62.406 61.300 -0.010 0.000 1.404 97 I CB -0.227 37.780 38.000 0.011 0.000 1.071 97 I HN 0.278 nan 8.210 nan 0.000 0.419 98 L N 0.319 121.562 121.223 0.033 0.000 2.141 98 L HA -0.194 4.146 4.340 0.001 0.000 0.209 98 L C 2.461 179.368 176.870 0.063 0.000 1.094 98 L CA 1.324 56.227 54.840 0.105 0.000 0.763 98 L CB -0.351 41.876 42.059 0.279 0.000 0.908 98 L HN 0.232 nan 8.230 nan 0.000 0.437 99 I N -0.299 120.296 120.570 0.041 0.000 2.193 99 I HA -0.241 3.929 4.170 0.001 0.000 0.240 99 I C 2.825 178.927 176.117 -0.025 0.000 1.084 99 I CA 1.102 62.414 61.300 0.021 0.000 1.365 99 I CB -0.463 37.529 38.000 -0.014 0.000 1.064 99 I HN 0.172 nan 8.210 nan 0.000 0.410 100 A N 1.070 123.870 122.820 -0.034 0.000 1.908 100 A HA -0.302 4.019 4.320 0.001 0.000 0.218 100 A C 2.043 179.593 177.584 -0.057 0.000 1.181 100 A CA 2.496 54.507 52.037 -0.043 0.000 0.627 100 A CB -1.014 17.962 19.000 -0.040 0.000 0.818 100 A HN 0.511 nan 8.150 nan 0.000 0.445 101 N N 0.260 118.921 118.700 -0.064 0.000 2.061 101 N HA -0.133 4.607 4.740 0.001 0.000 0.193 101 N C 1.706 177.140 175.510 -0.127 0.000 1.030 101 N CA 2.313 55.311 53.050 -0.087 0.000 0.856 101 N CB -0.395 38.038 38.487 -0.091 0.000 1.023 101 N HN 0.374 nan 8.380 nan 0.000 0.424 102 A N 0.394 123.105 122.820 -0.183 0.000 1.898 102 A HA -0.018 4.303 4.320 0.001 0.000 0.216 102 A C 2.369 179.894 177.584 -0.098 0.000 1.181 102 A CA 1.126 53.024 52.037 -0.232 0.000 0.620 102 A CB -0.744 18.064 19.000 -0.320 0.000 0.819 102 A HN 0.406 nan 8.150 nan 0.000 0.442 103 I N -0.181 120.360 120.570 -0.049 0.000 2.208 103 I HA -0.249 3.921 4.170 0.001 0.000 0.245 103 I C 2.338 178.485 176.117 0.049 0.000 1.097 103 I CA 1.347 62.650 61.300 0.005 0.000 1.363 103 I CB -0.423 37.573 38.000 -0.007 0.000 1.051 103 I HN 0.163 nan 8.210 nan 0.000 0.413 104 V N 1.076 120.998 119.914 0.013 0.000 2.295 104 V HA -0.225 3.896 4.120 0.001 0.000 0.246 104 V C 2.632 178.812 176.094 0.142 0.000 1.049 104 V CA 2.207 64.546 62.300 0.066 0.000 1.024 104 V CB -1.552 30.270 31.823 -0.002 0.000 0.648 104 V HN 0.579 nan 8.190 nan 0.000 0.447 105 G N -0.109 108.713 108.800 0.037 0.000 2.440 105 G HA2 -0.209 3.751 3.960 0.001 0.000 0.218 105 G HA3 -0.209 3.751 3.960 0.001 0.000 0.218 105 G C 1.654 176.571 174.900 0.029 0.000 1.154 105 G CA 1.300 46.407 45.100 0.011 0.000 0.767 105 G HN 0.395 nan 8.290 nan 0.000 0.552 106 V N -0.490 119.443 119.914 0.032 0.000 2.427 106 V HA -0.114 4.007 4.120 0.001 0.000 0.248 106 V C 2.229 178.373 176.094 0.083 0.000 1.051 106 V CA 1.651 63.972 62.300 0.035 0.000 1.048 106 V CB -0.593 31.250 31.823 0.035 0.000 0.666 106 V HN 0.627 nan 8.190 nan 0.000 0.456 107 W N 1.185 122.463 121.300 -0.036 0.000 2.333 107 W HA -0.249 4.411 4.660 0.001 0.000 0.316 107 W C 2.564 179.069 176.519 -0.024 0.000 1.215 107 W CA 2.184 59.514 57.345 -0.025 0.000 1.278 107 W CB -0.409 29.037 29.460 -0.024 0.000 1.154 107 W HN 0.245 nan 8.180 nan 0.000 0.486 108 Q N -0.521 119.276 119.800 -0.005 0.000 2.096 108 Q HA -0.243 4.098 4.340 0.001 0.000 0.204 108 Q C 1.959 177.812 176.000 -0.245 0.000 0.982 108 Q CA 1.534 57.192 55.803 -0.242 0.000 0.850 108 Q CB -0.638 28.116 28.738 0.027 0.000 0.901 108 Q HN 0.210 nan 8.270 nan 0.000 0.422 109 E N 0.565 120.686 120.200 -0.131 0.000 2.516 109 E HA -0.114 4.237 4.350 0.001 0.000 0.199 109 E C 1.553 178.071 176.600 -0.136 0.000 1.069 109 E CA 0.418 56.751 56.400 -0.112 0.000 0.876 109 E CB 0.099 29.759 29.700 -0.067 0.000 0.843 109 E HN 0.237 nan 8.360 nan 0.000 0.530 110 R N 0.782 121.162 120.500 -0.201 0.000 2.074 110 R HA 0.002 4.342 4.340 0.001 0.000 0.218 110 R C 1.397 177.559 176.300 -0.229 0.000 1.137 110 R CA 0.892 56.880 56.100 -0.186 0.000 0.998 110 R CB -0.032 30.164 30.300 -0.173 0.000 0.895 110 R HN 0.080 nan 8.270 nan 0.000 0.442 111 N N 0.852 119.327 118.700 -0.375 0.000 2.421 111 N HA 0.018 4.759 4.740 0.001 0.000 0.201 111 N C -0.596 174.761 175.510 -0.255 0.000 1.198 111 N CA 0.163 53.013 53.050 -0.335 0.000 0.838 111 N CB 0.423 38.618 38.487 -0.487 0.000 1.011 111 N HN 0.108 nan 8.380 nan 0.000 0.463 112 A N 0.815 123.508 122.820 -0.212 0.000 2.310 112 A HA 0.541 4.862 4.320 0.001 0.000 0.299 112 A C -0.452 177.069 177.584 -0.105 0.000 1.147 112 A CA -0.551 51.397 52.037 -0.148 0.000 0.818 112 A CB 0.516 19.438 19.000 -0.130 0.000 1.096 112 A HN 0.407 nan 8.150 nan 0.000 0.495 113 E N 0.917 121.068 120.200 -0.081 0.000 2.248 113 E HA 0.483 4.834 4.350 0.001 0.000 0.267 113 E C -1.021 175.552 176.600 -0.046 0.000 0.877 113 E CA -0.924 55.439 56.400 -0.061 0.000 0.759 113 E CB 0.865 30.530 29.700 -0.057 0.000 1.182 113 E HN 0.668 nan 8.360 nan 0.000 0.418 114 N N 0.544 119.221 118.700 -0.037 0.000 2.473 114 N HA 0.474 5.215 4.740 0.001 0.000 0.291 114 N C 0.454 175.953 175.510 -0.018 0.000 1.083 114 N CA -0.477 52.557 53.050 -0.027 0.000 0.951 114 N CB 1.700 40.173 38.487 -0.024 0.000 1.164 114 N HN 0.505 nan 8.380 nan 0.000 0.480 115 A N 2.179 124.992 122.820 -0.011 0.000 1.948 115 A HA -0.165 4.156 4.320 0.001 0.000 0.220 115 A C 1.815 179.404 177.584 0.008 0.000 1.177 115 A CA 1.125 53.162 52.037 0.000 0.000 0.636 115 A CB -1.030 17.971 19.000 0.003 0.000 0.815 115 A HN 0.809 nan 8.150 nan 0.000 0.449 116 I N -0.532 120.041 120.570 0.004 0.000 2.099 116 I HA -0.234 3.937 4.170 0.001 0.000 0.239 116 I C 2.353 178.475 176.117 0.009 0.000 1.066 116 I CA 1.454 62.759 61.300 0.010 0.000 1.324 116 I CB -0.477 37.526 38.000 0.004 0.000 1.037 116 I HN 0.272 nan 8.210 nan 0.000 0.401 117 E N 0.801 120.998 120.200 -0.004 0.000 2.333 117 E HA -0.207 4.143 4.350 0.001 0.000 0.200 117 E C 2.067 178.655 176.600 -0.019 0.000 1.010 117 E CA 1.228 57.621 56.400 -0.012 0.000 0.841 117 E CB -0.154 29.534 29.700 -0.021 0.000 0.757 117 E HN 0.539 nan 8.360 nan 0.000 0.508 118 A N 0.268 123.080 122.820 -0.013 0.000 2.021 118 A HA 0.009 4.330 4.320 0.001 0.000 0.216 118 A C 2.240 179.816 177.584 -0.014 0.000 1.163 118 A CA 0.205 52.226 52.037 -0.027 0.000 0.676 118 A CB -0.299 18.694 19.000 -0.012 0.000 0.818 118 A HN 0.173 nan 8.150 nan 0.000 0.453 119 L N -0.492 120.761 121.223 0.050 0.000 2.131 119 L HA -0.169 4.171 4.340 0.001 0.000 0.210 119 L C 2.169 179.098 176.870 0.100 0.000 1.092 119 L CA 1.275 56.199 54.840 0.140 0.000 0.759 119 L CB -0.348 41.777 42.059 0.109 0.000 0.903 119 L HN 0.331 nan 8.230 nan 0.000 0.435 120 K N -0.073 120.339 120.400 0.020 0.000 2.519 120 K HA -0.209 4.112 4.320 0.001 0.000 0.196 120 K C 1.805 178.368 176.600 -0.062 0.000 1.041 120 K CA 0.659 56.944 56.287 -0.002 0.000 0.954 120 K CB -0.053 32.439 32.500 -0.012 0.000 0.774 120 K HN 0.332 nan 8.250 nan 0.000 0.480 121 E N 0.118 120.212 120.200 -0.176 0.000 2.347 121 E HA -0.154 4.196 4.350 0.001 0.000 0.196 121 E C 0.365 176.733 176.600 -0.387 0.000 1.008 121 E CA 0.814 57.015 56.400 -0.331 0.000 0.852 121 E CB 0.198 29.587 29.700 -0.519 0.000 0.783 121 E HN 0.372 nan 8.360 nan 0.000 0.505 122 Y N 1.079 121.381 120.300 0.004 0.000 2.493 122 Y HA 0.171 4.722 4.550 0.001 0.000 0.275 122 Y C -0.282 175.626 175.900 0.013 0.000 1.183 122 Y CA -0.059 58.047 58.100 0.010 0.000 1.258 122 Y CB 0.314 38.781 38.460 0.012 0.000 1.108 122 Y HN 0.045 nan 8.280 nan 0.000 0.521 123 E N 1.112 121.369 120.200 0.096 0.000 2.182 123 E HA 0.364 4.714 4.350 0.001 0.000 0.258 123 E C -2.884 173.737 176.600 0.035 0.000 0.879 123 E CA -2.330 54.112 56.400 0.071 0.000 0.754 123 E CB 1.455 31.190 29.700 0.059 0.000 1.162 123 E HN -0.037 nan 8.360 nan 0.000 0.419 124 P HA -0.055 nan 4.420 nan 0.000 0.270 124 P C 0.141 177.446 177.300 0.009 0.000 1.223 124 P CA -0.084 63.027 63.100 0.018 0.000 0.785 124 P CB 1.588 33.301 31.700 0.022 0.000 0.923 125 E N 0.759 120.959 120.200 -0.000 0.000 2.076 125 E HA -0.049 4.301 4.350 0.001 0.000 0.190 125 E C 0.287 176.885 176.600 -0.004 0.000 0.979 125 E CA 0.822 57.220 56.400 -0.005 0.000 0.807 125 E CB 0.086 29.780 29.700 -0.010 0.000 0.761 125 E HN 0.329 nan 8.360 nan 0.000 0.454 126 M N -0.036 119.561 119.600 -0.006 0.000 2.705 126 M HA 0.558 5.038 4.480 0.001 0.000 0.311 126 M C 0.218 176.511 176.300 -0.012 0.000 1.214 126 M CA -0.661 54.632 55.300 -0.011 0.000 0.920 126 M CB 1.501 34.092 32.600 -0.016 0.000 1.687 126 M HN 0.088 nan 8.290 nan 0.000 0.481 127 G N 0.813 109.600 108.800 -0.022 0.000 2.704 127 G HA2 0.662 4.623 3.960 0.001 0.000 0.293 127 G HA3 0.662 4.623 3.960 0.001 0.000 0.293 127 G C -1.698 173.167 174.900 -0.057 0.000 1.421 127 G CA -0.774 44.307 45.100 -0.031 0.000 0.870 127 G HN 0.549 nan 8.290 nan 0.000 0.492 128 K N 0.511 120.864 120.400 -0.078 0.000 2.394 128 K HA 0.596 4.916 4.320 0.001 0.000 0.260 128 K C -0.091 176.401 176.600 -0.180 0.000 0.967 128 K CA -0.706 55.499 56.287 -0.137 0.000 0.855 128 K CB 2.189 34.602 32.500 -0.146 0.000 1.101 128 K HN 0.570 nan 8.250 nan 0.000 0.433 129 V N -0.297 119.490 119.914 -0.211 0.000 3.158 129 V HA 0.586 4.707 4.120 0.001 0.000 0.315 129 V C -1.301 174.598 176.094 -0.324 0.000 1.148 129 V CA -0.897 61.288 62.300 -0.192 0.000 1.042 129 V CB 1.231 33.003 31.823 -0.085 0.000 1.101 129 V HN 0.566 nan 8.190 nan 0.000 0.448 130 Y N 0.737 121.022 120.300 -0.026 0.000 2.338 130 Y HA 0.752 5.303 4.550 0.001 0.000 0.328 130 Y C 0.358 176.240 175.900 -0.029 0.000 0.965 130 Y CA -0.488 57.599 58.100 -0.023 0.000 1.208 130 Y CB 1.741 40.190 38.460 -0.020 0.000 1.132 130 Y HN 0.598 nan 8.280 nan 0.000 0.469 131 R N 0.997 121.561 120.500 0.107 0.000 2.740 131 R HA 0.647 4.988 4.340 0.001 0.000 0.282 131 R C 0.782 177.111 176.300 0.048 0.000 0.969 131 R CA -0.484 55.645 56.100 0.048 0.000 0.918 131 R CB 1.766 32.070 30.300 0.006 0.000 1.175 131 R HN 0.786 nan 8.270 nan 0.000 0.464 132 A N 1.581 124.415 122.820 0.022 0.000 1.986 132 A HA -0.224 4.096 4.320 0.001 0.000 0.220 132 A C 1.381 178.974 177.584 0.015 0.000 1.171 132 A CA 2.113 54.160 52.037 0.016 0.000 0.640 132 A CB -0.515 18.486 19.000 0.002 0.000 0.811 132 A HN 0.883 nan 8.150 nan 0.000 0.451 133 D N -1.065 119.341 120.400 0.011 0.000 2.358 133 D HA 0.007 4.648 4.640 0.001 0.000 0.241 133 D C 0.633 176.942 176.300 0.015 0.000 1.094 133 D CA 0.408 54.413 54.000 0.009 0.000 0.907 133 D CB -0.177 40.624 40.800 0.003 0.000 0.893 133 D HN 0.516 nan 8.370 nan 0.000 0.528 134 R N -2.139 118.377 120.500 0.027 0.000 2.774 134 R HA 0.184 4.524 4.340 0.001 0.000 0.279 134 R C -0.192 176.144 176.300 0.060 0.000 1.022 134 R CA -0.692 55.429 56.100 0.035 0.000 0.855 134 R CB 0.680 30.998 30.300 0.029 0.000 1.279 134 R HN -0.174 nan 8.270 nan 0.000 0.485 135 K N 0.228 120.667 120.400 0.064 0.000 2.365 135 K HA 0.180 4.500 4.320 0.001 0.000 0.195 135 K C -0.010 176.679 176.600 0.148 0.000 1.079 135 K CA 0.651 56.987 56.287 0.082 0.000 0.979 135 K CB 0.548 33.074 32.500 0.044 0.000 0.929 135 K HN 0.506 nan 8.250 nan 0.000 0.523 136 S N 0.240 116.015 115.700 0.125 0.000 2.585 136 S HA 0.280 4.751 4.470 0.001 0.000 0.277 136 S C -0.013 174.645 174.600 0.097 0.000 1.241 136 S CA -0.874 57.413 58.200 0.146 0.000 1.041 136 S CB 1.539 64.780 63.200 0.067 0.000 0.987 136 S HN 0.028 nan 8.310 nan 0.000 0.512 137 V N 4.114 124.041 119.914 0.022 0.000 2.539 137 V HA 0.101 4.221 4.120 0.001 0.000 0.300 137 V C 0.192 176.134 176.094 -0.253 0.000 1.019 137 V CA 0.378 62.380 62.300 -0.497 0.000 1.160 137 V CB -0.322 31.106 31.823 -0.659 0.000 0.901 137 V HN 0.988 nan 8.190 nan 0.000 0.481 138 Q N 6.593 126.250 119.800 -0.239 0.000 2.293 138 Q HA 0.567 4.908 4.340 0.001 0.000 0.261 138 Q C -0.454 175.467 176.000 -0.132 0.000 0.960 138 Q CA -0.979 54.745 55.803 -0.131 0.000 0.882 138 Q CB 1.452 30.144 28.738 -0.077 0.000 1.275 138 Q HN 0.862 nan 8.270 nan 0.000 0.445 139 R N 2.953 123.397 120.500 -0.093 0.000 2.196 139 R HA 0.501 4.842 4.340 0.001 0.000 0.340 139 R C -0.164 176.106 176.300 -0.050 0.000 1.043 139 R CA -0.441 55.614 56.100 -0.076 0.000 0.883 139 R CB 0.149 30.412 30.300 -0.061 0.000 1.078 139 R HN 0.784 nan 8.270 nan 0.000 0.462 140 I N -1.665 118.878 120.570 -0.045 0.000 3.205 140 I HA 0.489 4.660 4.170 0.001 0.000 0.310 140 I C -0.501 175.606 176.117 -0.016 0.000 1.089 140 I CA -1.666 59.619 61.300 -0.025 0.000 1.023 140 I CB 1.389 39.378 38.000 -0.018 0.000 1.269 140 I HN 0.399 nan 8.210 nan 0.000 0.512 141 K N 1.646 122.044 120.400 -0.003 0.000 2.379 141 K HA 0.286 4.607 4.320 0.001 0.000 0.284 141 K C 0.987 177.594 176.600 0.011 0.000 1.044 141 K CA 0.299 56.586 56.287 0.001 0.000 0.974 141 K CB 1.427 33.928 32.500 0.001 0.000 0.962 141 K HN 0.747 nan 8.250 nan 0.000 0.474 142 A N 3.934 126.760 122.820 0.008 0.000 1.971 142 A HA -0.285 4.036 4.320 0.001 0.000 0.222 142 A C 2.132 179.739 177.584 0.038 0.000 1.182 142 A CA 2.056 54.103 52.037 0.017 0.000 0.649 142 A CB -0.504 18.506 19.000 0.017 0.000 0.818 142 A HN 0.925 nan 8.150 nan 0.000 0.458 143 R N -0.434 120.090 120.500 0.040 0.000 2.139 143 R HA -0.186 4.154 4.340 0.001 0.000 0.243 143 R C 0.559 176.952 176.300 0.156 0.000 1.145 143 R CA 1.960 58.101 56.100 0.067 0.000 0.976 143 R CB -0.286 30.018 30.300 0.006 0.000 0.866 143 R HN 0.492 nan 8.270 nan 0.000 0.449 144 D N -0.025 120.448 120.400 0.122 0.000 2.339 144 D HA 0.092 4.732 4.640 0.001 0.000 0.217 144 D C 0.461 176.807 176.300 0.077 0.000 1.050 144 D CA 0.149 54.238 54.000 0.149 0.000 0.856 144 D CB 0.243 41.107 40.800 0.106 0.000 0.922 144 D HN 0.284 nan 8.370 nan 0.000 0.518 145 I N 1.326 121.926 120.570 0.050 0.000 2.779 145 I HA 0.039 4.209 4.170 0.001 0.000 0.285 145 I C 0.594 176.720 176.117 0.015 0.000 1.134 145 I CA -0.235 61.073 61.300 0.013 0.000 1.398 145 I CB 1.068 39.067 38.000 -0.001 0.000 1.404 145 I HN -0.220 nan 8.210 nan 0.000 0.587 146 V N 2.665 122.570 119.914 -0.014 0.000 3.181 146 V HA 0.605 4.725 4.120 0.001 0.000 0.308 146 V C -2.876 173.144 176.094 -0.123 0.000 1.214 146 V CA -2.546 59.747 62.300 -0.012 0.000 1.053 146 V CB 1.558 33.428 31.823 0.079 0.000 1.069 146 V HN 0.443 nan 8.190 nan 0.000 0.441 147 P HA 0.436 nan 4.420 nan 0.000 0.268 147 P C 0.919 177.757 177.300 -0.770 0.000 1.205 147 P CA 1.951 64.713 63.100 -0.563 0.000 0.771 147 P CB 0.961 32.178 31.700 -0.805 0.000 0.858 148 G N 1.872 109.899 108.800 -1.287 0.000 2.317 148 G HA2 -0.212 3.748 3.960 0.001 0.000 0.227 148 G HA3 -0.212 3.748 3.960 0.001 0.000 0.227 148 G C 0.152 174.850 174.900 -0.336 0.000 1.042 148 G CA -0.259 44.236 45.100 -1.008 0.000 0.623 148 G HN 0.526 nan 8.290 nan 0.000 0.509 149 D N 1.188 121.446 120.400 -0.237 0.000 2.531 149 D HA 0.263 4.903 4.640 0.001 0.000 0.239 149 D C 0.561 176.818 176.300 -0.072 0.000 1.144 149 D CA 0.227 54.157 54.000 -0.117 0.000 0.869 149 D CB 0.543 41.289 40.800 -0.089 0.000 1.160 149 D HN 0.161 nan 8.370 nan 0.000 0.484 150 I N 3.429 123.995 120.570 -0.007 0.000 2.416 150 I HA 0.035 4.205 4.170 0.001 0.000 0.288 150 I C 0.320 176.481 176.117 0.073 0.000 1.051 150 I CA -0.023 61.308 61.300 0.051 0.000 1.375 150 I CB 1.071 39.132 38.000 0.102 0.000 1.407 150 I HN 0.024 nan 8.210 nan 0.000 0.516 151 V N 6.271 126.217 119.914 0.053 0.000 2.960 151 V HA 0.524 4.645 4.120 0.001 0.000 0.315 151 V C -0.327 175.800 176.094 0.054 0.000 1.087 151 V CA -0.866 61.446 62.300 0.021 0.000 0.982 151 V CB 2.205 34.016 31.823 -0.020 0.000 1.039 151 V HN 0.706 nan 8.190 nan 0.000 0.437 152 E N 1.542 121.746 120.200 0.006 0.000 2.234 152 E HA 0.716 5.067 4.350 0.001 0.000 0.266 152 E C -1.592 175.006 176.600 -0.003 0.000 0.877 152 E CA -0.538 55.882 56.400 0.033 0.000 0.758 152 E CB 2.241 31.963 29.700 0.035 0.000 1.170 152 E HN 0.638 nan 8.360 nan 0.000 0.415 153 V N 0.317 120.237 119.914 0.009 0.000 2.962 153 V HA 1.027 5.148 4.120 0.001 0.000 0.313 153 V C -0.934 175.164 176.094 0.006 0.000 1.099 153 V CA -0.464 61.835 62.300 -0.001 0.000 0.971 153 V CB 1.296 33.116 31.823 -0.006 0.000 1.028 153 V HN 0.799 nan 8.190 nan 0.000 0.430 154 A N 2.377 125.199 122.820 0.003 0.000 2.566 154 A HA 0.847 5.167 4.320 0.001 0.000 0.292 154 A C -0.270 177.318 177.584 0.007 0.000 1.112 154 A CA -0.332 51.709 52.037 0.007 0.000 0.707 154 A CB 1.706 20.711 19.000 0.008 0.000 1.302 154 A HN 2.273 nan 8.150 nan 0.000 0.409 155 V N 1.247 121.166 119.914 0.008 0.000 2.780 155 V HA 0.310 4.430 4.120 0.001 0.000 0.301 155 V C 1.444 177.544 176.094 0.010 0.000 1.168 155 V CA 2.799 65.105 62.300 0.010 0.000 1.305 155 V CB 0.211 32.040 31.823 0.010 0.000 0.858 155 V HN 2.766 nan 8.190 nan 0.000 0.502 156 G N 4.141 112.948 108.800 0.013 0.000 2.241 156 G HA2 -0.205 3.755 3.960 0.001 0.000 0.244 156 G HA3 -0.205 3.755 3.960 0.001 0.000 0.244 156 G C 0.045 174.953 174.900 0.015 0.000 0.998 156 G CA 0.241 45.349 45.100 0.013 0.000 0.621 156 G HN 0.824 nan 8.290 nan 0.000 0.519 157 D N 0.675 121.082 120.400 0.012 0.000 2.362 157 D HA 0.454 5.094 4.640 0.001 0.000 0.242 157 D C 0.411 176.724 176.300 0.022 0.000 1.132 157 D CA 0.238 54.245 54.000 0.012 0.000 0.907 157 D CB 1.094 41.897 40.800 0.005 0.000 1.195 157 D HN 0.356 nan 8.370 nan 0.000 0.429 158 K N 1.075 121.490 120.400 0.026 0.000 2.293 158 K HA 0.289 4.610 4.320 0.001 0.000 0.267 158 K C -0.902 175.720 176.600 0.037 0.000 1.010 158 K CA -0.722 55.591 56.287 0.043 0.000 0.875 158 K CB 0.948 33.480 32.500 0.054 0.000 1.106 158 K HN 0.104 nan 8.250 nan 0.000 0.450 159 V N 7.610 127.547 119.914 0.038 0.000 2.539 159 V HA -0.027 4.094 4.120 0.001 0.000 0.300 159 V C -1.193 174.923 176.094 0.036 0.000 1.019 159 V CA -0.638 61.678 62.300 0.027 0.000 1.160 159 V CB 0.717 32.555 31.823 0.025 0.000 0.901 159 V HN 0.868 nan 8.190 nan 0.000 0.481 160 P HA 0.144 nan 4.420 nan 0.000 0.231 160 P C 0.225 177.540 177.300 0.025 0.000 1.168 160 P CA 1.110 64.224 63.100 0.022 0.000 0.779 160 P CB 0.711 32.415 31.700 0.006 0.000 0.844 161 A N -0.732 122.098 122.820 0.018 0.000 2.536 161 A HA 0.476 4.797 4.320 0.001 0.000 0.293 161 A C -1.704 175.888 177.584 0.014 0.000 1.119 161 A CA -0.612 51.436 52.037 0.018 0.000 0.654 161 A CB 0.085 19.082 19.000 -0.004 0.000 1.291 161 A HN -0.219 nan 8.150 nan 0.000 0.439 162 D N 0.857 121.271 120.400 0.023 0.000 2.317 162 D HA 0.561 5.201 4.640 0.001 0.000 0.252 162 D C -0.578 175.701 176.300 -0.036 0.000 1.174 162 D CA 0.848 54.857 54.000 0.014 0.000 0.866 162 D CB 0.483 41.330 40.800 0.079 0.000 1.127 162 D HN 0.407 nan 8.370 nan 0.000 0.467 163 I N 1.951 122.471 120.570 -0.084 0.000 2.569 163 I HA 0.297 4.467 4.170 0.001 0.000 0.296 163 I C 0.263 176.327 176.117 -0.088 0.000 1.028 163 I CA -1.055 60.200 61.300 -0.075 0.000 1.082 163 I CB 1.922 39.882 38.000 -0.066 0.000 1.264 163 I HN -0.054 nan 8.210 nan 0.000 0.429 164 R N 5.707 126.179 120.500 -0.046 0.000 2.254 164 R HA 0.489 4.830 4.340 0.001 0.000 0.318 164 R C -0.838 175.445 176.300 -0.028 0.000 1.031 164 R CA -0.711 55.370 56.100 -0.031 0.000 0.905 164 R CB 0.734 31.037 30.300 0.005 0.000 1.050 164 R HN 0.553 nan 8.270 nan 0.000 0.456 165 I N 6.439 126.989 120.570 -0.034 0.000 2.436 165 I HA -0.060 4.110 4.170 0.001 0.000 0.289 165 I C 1.606 177.722 176.117 -0.002 0.000 1.083 165 I CA 0.040 61.328 61.300 -0.021 0.000 1.372 165 I CB 0.744 38.728 38.000 -0.027 0.000 1.408 165 I HN 0.492 nan 8.210 nan 0.000 0.516 166 L N 4.764 125.990 121.223 0.004 0.000 2.071 166 L HA 0.046 4.386 4.340 0.001 0.000 0.201 166 L C 0.788 177.662 176.870 0.007 0.000 1.076 166 L CA 0.775 55.620 54.840 0.009 0.000 0.755 166 L CB -0.210 41.856 42.059 0.011 0.000 0.915 166 L HN 0.763 nan 8.230 nan 0.000 0.445 167 S N -1.139 114.565 115.700 0.006 0.000 2.543 167 S HA 0.505 4.975 4.470 0.001 0.000 0.271 167 S C -0.873 173.732 174.600 0.008 0.000 1.148 167 S CA -0.748 57.455 58.200 0.006 0.000 0.914 167 S CB 1.611 64.811 63.200 -0.001 0.000 1.096 167 S HN 0.076 nan 8.310 nan 0.000 0.471 168 I N 3.848 124.424 120.570 0.010 0.000 2.291 168 I HA 0.277 4.447 4.170 0.001 0.000 0.290 168 I C 0.983 177.105 176.117 0.010 0.000 1.050 168 I CA -0.792 60.513 61.300 0.009 0.000 1.245 168 I CB 1.067 39.072 38.000 0.009 0.000 1.405 168 I HN 0.647 nan 8.210 nan 0.000 0.478 169 K N 3.298 123.705 120.400 0.011 0.000 2.097 169 K HA -0.040 4.281 4.320 0.001 0.000 0.205 169 K C 1.219 177.826 176.600 0.010 0.000 1.050 169 K CA 0.704 56.998 56.287 0.011 0.000 0.938 169 K CB -0.368 32.142 32.500 0.018 0.000 0.718 169 K HN 0.708 nan 8.250 nan 0.000 0.442 170 S N -0.093 115.613 115.700 0.011 0.000 2.633 170 S HA 0.083 4.554 4.470 0.001 0.000 0.257 170 S C 1.335 175.942 174.600 0.011 0.000 1.265 170 S CA -0.088 58.119 58.200 0.011 0.000 0.980 170 S CB 0.567 63.774 63.200 0.010 0.000 1.017 170 S HN 0.158 nan 8.310 nan 0.000 0.577 171 T N 0.854 115.415 114.554 0.013 0.000 2.985 171 T HA 0.167 4.518 4.350 0.001 0.000 0.266 171 T C 0.783 175.495 174.700 0.020 0.000 1.076 171 T CA 1.269 63.379 62.100 0.016 0.000 1.135 171 T CB -0.560 68.320 68.868 0.019 0.000 0.890 171 T HN 1.035 nan 8.240 nan 0.000 0.480 172 T N -0.514 114.049 114.554 0.015 0.000 2.942 172 T HA 0.583 4.934 4.350 0.001 0.000 0.327 172 T C -1.806 172.888 174.700 -0.009 0.000 1.360 172 T CA -1.068 61.036 62.100 0.006 0.000 1.055 172 T CB 1.699 70.578 68.868 0.020 0.000 1.261 172 T HN -0.026 nan 8.240 nan 0.000 0.485 173 L N 2.093 123.294 121.223 -0.036 0.000 2.305 173 L HA 0.708 5.049 4.340 0.001 0.000 0.284 173 L C -0.374 176.471 176.870 -0.042 0.000 1.013 173 L CA -0.485 54.333 54.840 -0.037 0.000 0.819 173 L CB 0.971 43.001 42.059 -0.048 0.000 1.227 173 L HN 0.693 nan 8.230 nan 0.000 0.417 174 R N 4.274 124.764 120.500 -0.017 0.000 2.494 174 R HA 0.755 5.095 4.340 0.001 0.000 0.305 174 R C -1.505 174.796 176.300 0.001 0.000 0.959 174 R CA -0.765 55.332 56.100 -0.005 0.000 0.864 174 R CB 2.209 32.515 30.300 0.009 0.000 1.159 174 R HN 0.478 nan 8.270 nan 0.000 0.446 175 V N 1.930 121.849 119.914 0.008 0.000 2.709 175 V HA 0.119 4.240 4.120 0.001 0.000 0.308 175 V C -0.628 175.487 176.094 0.034 0.000 1.062 175 V CA -0.921 61.390 62.300 0.018 0.000 0.901 175 V CB 2.321 34.152 31.823 0.013 0.000 1.003 175 V HN 0.626 nan 8.190 nan 0.000 0.425 176 D N 3.514 123.936 120.400 0.035 0.000 2.456 176 D HA 0.284 4.925 4.640 0.001 0.000 0.219 176 D C 0.670 176.996 176.300 0.043 0.000 1.126 176 D CA -0.257 53.765 54.000 0.037 0.000 0.890 176 D CB 0.992 41.811 40.800 0.032 0.000 1.025 176 D HN 0.660 nan 8.370 nan 0.000 0.511 177 Q N 1.963 121.794 119.800 0.051 0.000 2.172 177 Q HA 0.096 4.436 4.340 0.001 0.000 0.217 177 Q C 1.266 177.265 176.000 -0.001 0.000 0.832 177 Q CA -0.257 55.577 55.803 0.052 0.000 1.010 177 Q CB 0.243 29.067 28.738 0.143 0.000 1.133 177 Q HN 0.379 nan 8.270 nan 0.000 0.489 178 S N 2.241 117.940 115.700 -0.002 0.000 2.399 178 S HA -0.305 4.166 4.470 0.001 0.000 0.235 178 S C 2.000 176.569 174.600 -0.050 0.000 1.063 178 S CA 1.763 59.954 58.200 -0.016 0.000 1.070 178 S CB -1.042 62.156 63.200 -0.003 0.000 0.904 178 S HN 0.725 nan 8.310 nan 0.000 0.456 179 I N -1.493 119.025 120.570 -0.086 0.000 2.700 179 I HA 0.050 4.220 4.170 0.001 0.000 0.261 179 I C 2.046 178.056 176.117 -0.179 0.000 1.219 179 I CA 1.299 62.508 61.300 -0.151 0.000 1.463 179 I CB -0.282 37.539 38.000 -0.298 0.000 1.092 179 I HN 0.265 nan 8.210 nan 0.000 0.452 180 L N 0.558 121.682 121.223 -0.165 0.000 2.500 180 L HA 0.107 4.447 4.340 0.001 0.000 0.219 180 L C 2.128 178.888 176.870 -0.183 0.000 1.057 180 L CA 1.100 55.817 54.840 -0.205 0.000 0.854 180 L CB 0.055 41.948 42.059 -0.278 0.000 1.078 180 L HN 0.412 nan 8.230 nan 0.000 0.480 181 T N -4.722 109.755 114.554 -0.129 0.000 3.040 181 T HA 0.261 4.611 4.350 0.001 0.000 0.266 181 T C 1.322 175.995 174.700 -0.046 0.000 1.005 181 T CA 0.404 62.449 62.100 -0.092 0.000 0.906 181 T CB 0.854 69.684 68.868 -0.063 0.000 1.082 181 T HN 0.304 nan 8.240 nan 0.000 0.531 182 G N 1.752 110.526 108.800 -0.044 0.000 2.187 182 G HA2 -0.264 3.696 3.960 0.001 0.000 0.261 182 G HA3 -0.264 3.696 3.960 0.001 0.000 0.261 182 G C -0.243 174.653 174.900 -0.006 0.000 1.000 182 G CA 0.192 45.278 45.100 -0.023 0.000 0.718 182 G HN 0.674 nan 8.290 nan 0.000 0.519 183 E N 0.873 121.074 120.200 0.001 0.000 2.003 183 E HA 0.379 4.730 4.350 0.001 0.000 0.279 183 E C 1.739 178.347 176.600 0.013 0.000 1.132 183 E CA 0.178 56.588 56.400 0.016 0.000 0.888 183 E CB 0.543 30.265 29.700 0.037 0.000 1.056 183 E HN 0.474 nan 8.360 nan 0.000 0.399 184 S N 2.066 117.770 115.700 0.007 0.000 2.351 184 S HA -0.139 4.332 4.470 0.001 0.000 0.220 184 S C 1.184 175.790 174.600 0.010 0.000 1.035 184 S CA 0.493 58.697 58.200 0.006 0.000 1.031 184 S CB -0.374 62.827 63.200 0.001 0.000 0.928 184 S HN 0.259 nan 8.310 nan 0.000 0.433 185 V N 3.455 123.376 119.914 0.011 0.000 2.999 185 V HA 0.280 4.400 4.120 0.001 0.000 0.307 185 V C 0.938 177.049 176.094 0.028 0.000 1.084 185 V CA -0.191 62.119 62.300 0.017 0.000 1.155 185 V CB 0.415 32.250 31.823 0.020 0.000 0.975 185 V HN 0.706 nan 8.190 nan 0.000 0.490 186 S N 2.915 118.632 115.700 0.029 0.000 2.565 186 S HA 0.520 4.990 4.470 0.001 0.000 0.276 186 S C -0.342 174.283 174.600 0.042 0.000 1.326 186 S CA -0.537 57.683 58.200 0.033 0.000 1.045 186 S CB 1.242 64.458 63.200 0.027 0.000 0.918 186 S HN 1.234 nan 8.310 nan 0.000 0.505 187 V N 1.036 120.978 119.914 0.046 0.000 2.732 187 V HA 0.639 4.759 4.120 0.001 0.000 0.310 187 V C -0.058 176.051 176.094 0.025 0.000 1.053 187 V CA -1.298 61.035 62.300 0.055 0.000 0.957 187 V CB 0.736 32.604 31.823 0.075 0.000 1.018 187 V HN 0.920 nan 8.190 nan 0.000 0.452 188 I N 3.068 123.650 120.570 0.019 0.000 2.428 188 I HA 0.425 4.596 4.170 0.001 0.000 0.289 188 I C 0.280 176.301 176.117 -0.159 0.000 1.019 188 I CA -0.342 60.920 61.300 -0.063 0.000 1.351 188 I CB 1.076 39.049 38.000 -0.045 0.000 1.412 188 I HN 0.606 nan 8.210 nan 0.000 0.513 189 K N 5.400 125.659 120.400 -0.235 0.000 2.208 189 K HA 0.583 4.903 4.320 0.001 0.000 0.247 189 K C -0.648 175.702 176.600 -0.416 0.000 0.953 189 K CA -0.764 55.382 56.287 -0.236 0.000 0.837 189 K CB 1.875 34.304 32.500 -0.118 0.000 1.131 189 K HN 0.501 nan 8.250 nan 0.000 0.431 190 H N -0.618 118.454 119.070 0.004 0.000 2.906 190 H HA 0.268 4.825 4.556 0.001 0.000 0.337 190 H C 0.590 175.909 175.328 -0.015 0.000 1.257 190 H CA -0.333 55.714 56.048 -0.003 0.000 1.192 190 H CB 1.825 31.577 29.762 -0.017 0.000 1.912 190 H HN 0.675 nan 8.280 nan 0.000 0.573 191 T N -2.601 112.033 114.554 0.134 0.000 3.010 191 T HA 0.125 4.475 4.350 0.001 0.000 0.257 191 T C 0.319 175.039 174.700 0.032 0.000 1.020 191 T CA -0.291 61.842 62.100 0.056 0.000 0.938 191 T CB 0.506 69.396 68.868 0.038 0.000 1.049 191 T HN 0.254 nan 8.240 nan 0.000 0.522 192 E N 3.668 123.883 120.200 0.024 0.000 2.383 192 E HA 0.273 4.623 4.350 0.001 0.000 0.264 192 E C -2.371 174.225 176.600 -0.007 0.000 1.050 192 E CA -2.138 54.254 56.400 -0.014 0.000 0.896 192 E CB 0.680 30.343 29.700 -0.062 0.000 0.982 192 E HN 0.340 nan 8.360 nan 0.000 0.424 193 P HA 0.061 nan 4.420 nan 0.000 0.275 193 P C -0.348 176.955 177.300 0.005 0.000 1.228 193 P CA -0.211 62.883 63.100 -0.011 0.000 0.786 193 P CB 0.698 32.378 31.700 -0.033 0.000 0.927 194 V N 6.177 126.126 119.914 0.058 0.000 2.334 194 V HA 0.114 4.235 4.120 0.001 0.000 0.267 194 V C -0.710 175.444 176.094 0.100 0.000 1.040 194 V CA -1.465 60.897 62.300 0.102 0.000 0.866 194 V CB 0.877 32.820 31.823 0.200 0.000 1.019 194 V HN 0.576 nan 8.190 nan 0.000 0.468 195 P HA -0.160 nan 4.420 nan 0.000 0.217 195 P C 0.428 177.759 177.300 0.052 0.000 1.148 195 P CA 0.926 64.039 63.100 0.021 0.000 0.828 195 P CB 0.355 32.056 31.700 0.001 0.000 0.783 196 D N 0.485 120.943 120.400 0.096 0.000 2.346 196 D HA 0.075 4.715 4.640 0.001 0.000 0.260 196 D C -1.598 174.845 176.300 0.239 0.000 1.252 196 D CA -2.170 51.897 54.000 0.112 0.000 0.895 196 D CB 0.771 41.616 40.800 0.074 0.000 1.097 196 D HN 0.021 nan 8.370 nan 0.000 0.489 197 P HA -0.029 nan 4.420 nan 0.000 0.225 197 P C 0.488 177.915 177.300 0.212 0.000 1.148 197 P CA 0.851 64.060 63.100 0.181 0.000 0.779 197 P CB 0.305 32.039 31.700 0.057 0.000 0.780 198 R N -1.157 119.416 120.500 0.121 0.000 2.509 198 R HA 0.393 4.734 4.340 0.001 0.000 0.300 198 R C 0.393 176.684 176.300 -0.014 0.000 0.985 198 R CA -0.392 55.737 56.100 0.050 0.000 1.092 198 R CB 0.348 30.668 30.300 0.034 0.000 1.237 198 R HN 0.049 nan 8.270 nan 0.000 0.546 199 A N 1.796 124.583 122.820 -0.055 0.000 2.584 199 A HA 0.132 4.453 4.320 0.001 0.000 0.239 199 A C 0.916 178.411 177.584 -0.148 0.000 1.043 199 A CA -0.150 51.816 52.037 -0.119 0.000 0.756 199 A CB 0.068 18.956 19.000 -0.186 0.000 0.963 199 A HN 0.198 nan 8.150 nan 0.000 0.511 200 V N 1.771 121.637 119.914 -0.080 0.000 2.924 200 V HA 0.134 4.254 4.120 0.001 0.000 0.305 200 V C 1.170 177.219 176.094 -0.075 0.000 1.073 200 V CA -0.312 61.941 62.300 -0.079 0.000 1.098 200 V CB 0.264 32.058 31.823 -0.048 0.000 1.000 200 V HN 0.852 nan 8.190 nan 0.000 0.484 201 N N 1.940 120.577 118.700 -0.105 0.000 2.182 201 N HA -0.245 4.496 4.740 0.001 0.000 0.192 201 N C 1.645 177.194 175.510 0.066 0.000 1.007 201 N CA 2.174 55.178 53.050 -0.076 0.000 0.873 201 N CB -0.400 37.808 38.487 -0.465 0.000 0.998 201 N HN 0.861 nan 8.380 nan 0.000 0.436 202 Q N -0.144 119.669 119.800 0.021 0.000 2.291 202 Q HA -0.081 4.259 4.340 0.001 0.000 0.205 202 Q C 0.487 176.540 176.000 0.088 0.000 0.970 202 Q CA 0.900 56.747 55.803 0.073 0.000 0.876 202 Q CB 0.109 28.884 28.738 0.061 0.000 0.935 202 Q HN 0.377 nan 8.270 nan 0.000 0.455 203 D N 0.118 120.551 120.400 0.054 0.000 2.346 203 D HA -0.002 4.639 4.640 0.001 0.000 0.206 203 D C -0.102 176.223 176.300 0.042 0.000 1.001 203 D CA 0.523 54.546 54.000 0.039 0.000 0.871 203 D CB 0.250 41.054 40.800 0.006 0.000 0.943 203 D HN -0.014 nan 8.370 nan 0.000 0.518 204 K N 1.342 121.778 120.400 0.061 0.000 2.449 204 K HA 0.111 4.431 4.320 0.001 0.000 0.237 204 K C 0.788 177.430 176.600 0.070 0.000 1.265 204 K CA 0.024 56.351 56.287 0.067 0.000 1.193 204 K CB 0.230 32.805 32.500 0.124 0.000 1.515 204 K HN 0.021 nan 8.250 nan 0.000 0.259 205 K N 0.775 121.217 120.400 0.070 0.000 2.515 205 K HA -0.109 4.212 4.320 0.001 0.000 0.196 205 K C 0.739 177.358 176.600 0.032 0.000 1.038 205 K CA 0.892 57.219 56.287 0.066 0.000 0.967 205 K CB -0.024 32.550 32.500 0.125 0.000 0.780 205 K HN 0.413 nan 8.250 nan 0.000 0.483 206 N N -0.269 118.444 118.700 0.021 0.000 2.234 206 N HA 0.048 4.788 4.740 0.001 0.000 0.227 206 N C -0.286 175.182 175.510 -0.070 0.000 1.151 206 N CA -0.012 53.037 53.050 -0.002 0.000 0.865 206 N CB 0.396 38.901 38.487 0.029 0.000 1.066 206 N HN -0.115 nan 8.380 nan 0.000 0.515 207 M N 0.629 120.128 119.600 -0.168 0.000 2.535 207 M HA 0.453 4.933 4.480 0.001 0.000 0.314 207 M C -0.944 175.018 176.300 -0.564 0.000 1.153 207 M CA -0.615 54.473 55.300 -0.354 0.000 0.924 207 M CB 2.207 34.523 32.600 -0.474 0.000 1.710 207 M HN -0.057 nan 8.290 nan 0.000 0.451 208 L N 2.592 123.517 121.223 -0.497 0.000 2.325 208 L HA 0.526 4.866 4.340 0.001 0.000 0.281 208 L C -1.133 175.463 176.870 -0.458 0.000 1.004 208 L CA -0.477 54.120 54.840 -0.405 0.000 0.823 208 L CB 1.111 43.065 42.059 -0.176 0.000 1.236 208 L HN 0.451 nan 8.230 nan 0.000 0.415 209 F N 1.090 121.035 119.950 -0.008 0.000 2.404 209 F HA 0.225 4.753 4.527 0.001 0.000 0.345 209 F C 1.128 176.920 175.800 -0.012 0.000 1.110 209 F CA -0.280 57.712 58.000 -0.014 0.000 1.130 209 F CB 1.426 40.408 39.000 -0.030 0.000 1.129 209 F HN 0.374 nan 8.300 nan 0.000 0.500 210 S N 2.049 117.843 115.700 0.158 0.000 2.563 210 S HA 0.354 4.824 4.470 0.001 0.000 0.294 210 S C 1.113 175.774 174.600 0.102 0.000 1.279 210 S CA 0.921 59.181 58.200 0.100 0.000 1.069 210 S CB -0.090 63.160 63.200 0.084 0.000 0.828 210 S HN 1.195 nan 8.310 nan 0.000 0.497 211 G N 3.032 111.892 108.800 0.099 0.000 2.254 211 G HA2 -0.256 3.704 3.960 0.001 0.000 0.225 211 G HA3 -0.256 3.704 3.960 0.001 0.000 0.225 211 G C 0.372 175.323 174.900 0.085 0.000 1.003 211 G CA 0.482 45.652 45.100 0.117 0.000 0.622 211 G HN 1.355 nan 8.290 nan 0.000 0.507 212 T N -0.400 114.196 114.554 0.071 0.000 2.770 212 T HA 0.616 4.966 4.350 0.001 0.000 0.281 212 T C -0.056 174.683 174.700 0.065 0.000 0.981 212 T CA -0.054 62.083 62.100 0.062 0.000 0.955 212 T CB 1.478 70.402 68.868 0.093 0.000 1.060 212 T HN 0.301 nan 8.240 nan 0.000 0.531 213 N N 0.272 119.004 118.700 0.054 0.000 2.238 213 N HA 0.364 5.104 4.740 0.001 0.000 0.302 213 N C -0.899 174.629 175.510 0.031 0.000 1.072 213 N CA -0.696 52.380 53.050 0.045 0.000 0.792 213 N CB 1.696 40.212 38.487 0.049 0.000 1.425 213 N HN 0.507 nan 8.380 nan 0.000 0.478 214 I N 1.617 122.200 120.570 0.022 0.000 2.452 214 I HA 0.084 4.255 4.170 0.001 0.000 0.287 214 I C 1.483 177.610 176.117 0.016 0.000 1.079 214 I CA 0.053 61.361 61.300 0.013 0.000 1.387 214 I CB 0.521 38.526 38.000 0.007 0.000 1.404 214 I HN 0.633 nan 8.210 nan 0.000 0.522 215 A N 5.608 128.437 122.820 0.015 0.000 1.984 215 A HA 0.570 4.891 4.320 0.001 0.000 0.214 215 A C 0.960 178.553 177.584 0.014 0.000 1.173 215 A CA 0.915 52.962 52.037 0.017 0.000 0.673 215 A CB 0.195 19.206 19.000 0.019 0.000 0.830 215 A HN 0.816 nan 8.150 nan 0.000 0.453 216 A N -2.959 119.867 122.820 0.011 0.000 2.608 216 A HA 0.650 4.970 4.320 0.001 0.000 0.292 216 A C 0.283 177.871 177.584 0.007 0.000 1.066 216 A CA 0.131 52.175 52.037 0.011 0.000 0.676 216 A CB -0.053 18.956 19.000 0.013 0.000 1.277 216 A HN 2.139 nan 8.150 nan 0.000 0.413 217 G N 0.040 108.845 108.800 0.008 0.000 2.685 217 G HA2 0.289 4.249 3.960 0.001 0.000 0.387 217 G HA3 0.289 4.249 3.960 0.001 0.000 0.387 217 G C -0.574 174.331 174.900 0.008 0.000 1.324 217 G CA 0.018 45.123 45.100 0.007 0.000 0.878 217 G HN 1.243 nan 8.290 nan 0.000 0.527 218 K N -0.501 119.904 120.400 0.009 0.000 2.498 218 K HA 0.768 5.088 4.320 0.001 0.000 0.254 218 K C -0.463 176.145 176.600 0.014 0.000 0.933 218 K CA -0.160 56.135 56.287 0.014 0.000 0.806 218 K CB 1.799 34.311 32.500 0.021 0.000 1.301 218 K HN 1.955 nan 8.250 nan 0.000 0.432 219 A N 2.935 125.765 122.820 0.017 0.000 2.594 219 A HA 0.652 4.972 4.320 0.001 0.000 0.295 219 A C -2.183 175.419 177.584 0.030 0.000 1.071 219 A CA -0.728 51.319 52.037 0.015 0.000 0.685 219 A CB 1.535 20.534 19.000 -0.002 0.000 1.285 219 A HN 0.560 nan 8.150 nan 0.000 0.405 220 L N 0.989 122.231 121.223 0.032 0.000 2.346 220 L HA 0.938 5.279 4.340 0.001 0.000 0.274 220 L C 0.257 177.143 176.870 0.026 0.000 1.007 220 L CA 0.622 55.493 54.840 0.051 0.000 0.818 220 L CB 1.920 44.010 42.059 0.051 0.000 1.284 220 L HN 1.298 nan 8.230 nan 0.000 0.424 221 G N 3.898 112.714 108.800 0.027 0.000 2.663 221 G HA2 0.490 4.450 3.960 0.001 0.000 0.299 221 G HA3 0.490 4.450 3.960 0.001 0.000 0.299 221 G C -2.022 172.881 174.900 0.005 0.000 1.372 221 G CA -0.605 44.499 45.100 0.007 0.000 0.781 221 G HN 0.748 nan 8.290 nan 0.000 0.491 222 I N 0.479 121.046 120.570 -0.006 0.000 2.474 222 I HA 0.533 4.703 4.170 0.001 0.000 0.294 222 I C -0.319 175.759 176.117 -0.065 0.000 1.005 222 I CA -1.014 60.269 61.300 -0.028 0.000 1.113 222 I CB 1.940 39.948 38.000 0.014 0.000 1.289 222 I HN 0.253 nan 8.210 nan 0.000 0.436 223 V N 8.276 128.110 119.914 -0.133 0.000 2.485 223 V HA 0.104 4.225 4.120 0.001 0.000 0.287 223 V C 1.098 177.082 176.094 -0.182 0.000 1.022 223 V CA 0.749 62.958 62.300 -0.151 0.000 1.067 223 V CB 0.643 32.362 31.823 -0.174 0.000 0.967 223 V HN 0.975 nan 8.190 nan 0.000 0.479 224 A N 4.659 127.444 122.820 -0.058 0.000 1.924 224 A HA 0.286 4.607 4.320 0.001 0.000 0.211 224 A C 1.080 178.669 177.584 0.009 0.000 1.198 224 A CA 1.133 53.196 52.037 0.043 0.000 0.657 224 A CB 0.151 19.180 19.000 0.047 0.000 0.852 224 A HN 0.867 nan 8.150 nan 0.000 0.454 225 T N -3.427 111.111 114.554 -0.028 0.000 2.843 225 T HA 0.598 4.949 4.350 0.001 0.000 0.302 225 T C -0.472 174.213 174.700 -0.024 0.000 1.232 225 T CA 0.139 62.221 62.100 -0.030 0.000 1.009 225 T CB 1.585 70.467 68.868 0.022 0.000 1.254 225 T HN 0.758 nan 8.240 nan 0.000 0.504 226 T N -2.283 112.267 114.554 -0.006 0.000 2.696 226 T HA 0.805 5.156 4.350 0.001 0.000 0.291 226 T C 1.069 175.802 174.700 0.055 0.000 1.095 226 T CA 0.132 62.245 62.100 0.023 0.000 1.026 226 T CB 0.981 69.861 68.868 0.019 0.000 1.390 226 T HN 2.196 nan 8.240 nan 0.000 0.513 227 G N 0.340 109.179 108.800 0.065 0.000 2.634 227 G HA2 -0.327 3.633 3.960 0.001 0.000 0.309 227 G HA3 -0.327 3.633 3.960 0.001 0.000 0.309 227 G C 1.161 176.099 174.900 0.062 0.000 1.265 227 G CA 2.069 47.212 45.100 0.072 0.000 0.998 227 G HN 2.126 nan 8.290 nan 0.000 0.551 228 V N -2.028 117.923 119.914 0.062 0.000 3.510 228 V HA 0.311 4.432 4.120 0.001 0.000 0.270 228 V C 2.215 178.338 176.094 0.048 0.000 1.201 228 V CA 2.455 64.786 62.300 0.050 0.000 1.166 228 V CB 0.270 32.120 31.823 0.045 0.000 0.825 228 V HN 0.697 nan 8.190 nan 0.000 0.484 229 S N 0.890 116.625 115.700 0.058 0.000 2.528 229 S HA 0.048 4.518 4.470 0.001 0.000 0.219 229 S C 1.229 175.861 174.600 0.054 0.000 0.985 229 S CA 0.750 58.984 58.200 0.057 0.000 0.914 229 S CB -0.299 62.943 63.200 0.069 0.000 0.776 229 S HN 0.943 nan 8.310 nan 0.000 0.526 230 T N 0.461 115.048 114.554 0.055 0.000 2.698 230 T HA 0.242 4.593 4.350 0.001 0.000 0.295 230 T C 1.026 175.759 174.700 0.055 0.000 1.007 230 T CA -0.489 61.653 62.100 0.070 0.000 0.980 230 T CB 0.519 69.431 68.868 0.074 0.000 1.036 230 T HN -0.118 nan 8.240 nan 0.000 0.526 231 E N -0.143 120.097 120.200 0.067 0.000 2.072 231 E HA -0.046 4.305 4.350 0.001 0.000 0.191 231 E C 1.908 178.485 176.600 -0.039 0.000 0.985 231 E CA 0.831 57.222 56.400 -0.016 0.000 0.801 231 E CB -0.369 29.257 29.700 -0.122 0.000 0.750 231 E HN 0.718 nan 8.360 nan 0.000 0.452 232 I N 0.360 120.922 120.570 -0.014 0.000 2.546 232 I HA -0.095 4.075 4.170 0.001 0.000 0.255 232 I C 1.996 178.118 176.117 0.008 0.000 1.163 232 I CA 1.060 62.350 61.300 -0.017 0.000 1.457 232 I CB -0.040 37.961 38.000 0.002 0.000 1.092 232 I HN 0.052 nan 8.210 nan 0.000 0.434 233 G N 0.243 109.057 108.800 0.023 0.000 2.421 233 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 233 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 233 G C 1.676 176.585 174.900 0.016 0.000 1.143 233 G CA 0.320 45.438 45.100 0.028 0.000 0.784 233 G HN 0.288 nan 8.290 nan 0.000 0.541 234 K N -0.254 120.149 120.400 0.006 0.000 2.155 234 K HA 0.200 4.520 4.320 0.001 0.000 0.203 234 K C 2.259 178.848 176.600 -0.017 0.000 1.052 234 K CA 0.363 56.648 56.287 -0.005 0.000 0.948 234 K CB -0.095 32.398 32.500 -0.011 0.000 0.728 234 K HN 0.292 nan 8.250 nan 0.000 0.448 235 I N 0.732 121.287 120.570 -0.025 0.000 2.353 235 I HA -0.227 3.943 4.170 0.001 0.000 0.248 235 I C 2.576 178.684 176.117 -0.014 0.000 1.119 235 I CA 0.724 62.005 61.300 -0.030 0.000 1.417 235 I CB -0.099 37.875 38.000 -0.042 0.000 1.078 235 I HN 0.132 nan 8.210 nan 0.000 0.421 236 R N 1.186 121.686 120.500 -0.001 0.000 2.081 236 R HA -0.187 4.153 4.340 0.001 0.000 0.235 236 R C 1.480 177.782 176.300 0.004 0.000 1.131 236 R CA 1.889 57.994 56.100 0.008 0.000 0.960 236 R CB -0.455 29.857 30.300 0.020 0.000 0.856 236 R HN 0.302 nan 8.270 nan 0.000 0.436 237 D N 0.483 120.885 120.400 0.003 0.000 2.183 237 D HA -0.097 4.544 4.640 0.001 0.000 0.203 237 D C 2.034 178.330 176.300 -0.007 0.000 0.969 237 D CA 0.851 54.852 54.000 0.002 0.000 0.842 237 D CB -0.059 40.744 40.800 0.006 0.000 0.957 237 D HN 0.349 nan 8.370 nan 0.000 0.484 238 Q N -0.174 119.618 119.800 -0.013 0.000 2.050 238 Q HA -0.076 4.264 4.340 0.001 0.000 0.202 238 Q C 2.316 178.305 176.000 -0.019 0.000 0.980 238 Q CA 1.160 56.950 55.803 -0.021 0.000 0.840 238 Q CB -0.055 28.665 28.738 -0.030 0.000 0.898 238 Q HN 0.291 nan 8.270 nan 0.000 0.424 239 M N -0.155 119.435 119.600 -0.016 0.000 2.080 239 M HA -0.192 4.288 4.480 0.001 0.000 0.260 239 M C 2.368 178.661 176.300 -0.011 0.000 1.068 239 M CA 1.537 56.829 55.300 -0.013 0.000 1.109 239 M CB -0.383 32.212 32.600 -0.008 0.000 1.342 239 M HN 0.261 nan 8.290 nan 0.000 0.405 240 A N 0.355 123.171 122.820 -0.007 0.000 1.933 240 A HA -0.031 4.290 4.320 0.001 0.000 0.218 240 A C 2.229 179.808 177.584 -0.008 0.000 1.175 240 A CA 1.871 53.905 52.037 -0.005 0.000 0.628 240 A CB -0.846 18.154 19.000 -0.000 0.000 0.814 240 A HN 0.525 nan 8.150 nan 0.000 0.444 241 A N -1.012 121.802 122.820 -0.010 0.000 2.238 241 A HA 0.279 4.599 4.320 0.001 0.000 0.208 241 A C 0.881 178.456 177.584 -0.017 0.000 1.177 241 A CA 0.717 52.747 52.037 -0.012 0.000 0.804 241 A CB -0.571 18.421 19.000 -0.014 0.000 0.823 241 A HN 0.273 nan 8.150 nan 0.000 0.482 242 T N 2.058 116.602 114.554 -0.017 0.000 2.727 242 T HA 0.275 4.626 4.350 0.001 0.000 0.298 242 T C -0.361 174.329 174.700 -0.017 0.000 0.942 242 T CA -0.092 61.996 62.100 -0.020 0.000 0.997 242 T CB 0.481 69.336 68.868 -0.021 0.000 0.917 242 T HN 0.443 nan 8.240 nan 0.000 0.487 243 E N 3.497 123.687 120.200 -0.017 0.000 2.167 243 E HA 0.187 4.537 4.350 0.001 0.000 0.284 243 E C -0.085 176.506 176.600 -0.015 0.000 1.016 243 E CA -0.485 55.906 56.400 -0.015 0.000 0.817 243 E CB 1.119 30.811 29.700 -0.014 0.000 1.080 243 E HN 0.570 nan 8.360 nan 0.000 0.397 244 Q N 2.393 122.185 119.800 -0.014 0.000 2.230 244 Q HA 0.236 4.576 4.340 0.001 0.000 0.253 244 Q C -0.641 175.352 176.000 -0.012 0.000 0.919 244 Q CA -0.731 55.064 55.803 -0.013 0.000 0.908 244 Q CB 1.309 30.039 28.738 -0.014 0.000 1.245 244 Q HN 0.405 nan 8.270 nan 0.000 0.437 245 D N 1.474 121.867 120.400 -0.011 0.000 2.340 245 D HA 0.210 4.851 4.640 0.001 0.000 0.251 245 D C -0.243 176.052 176.300 -0.009 0.000 1.080 245 D CA -0.503 53.491 54.000 -0.009 0.000 0.971 245 D CB 0.932 41.727 40.800 -0.008 0.000 1.137 245 D HN 0.197 nan 8.370 nan 0.000 0.475 246 K N 0.130 120.526 120.400 -0.006 0.000 2.258 246 K HA 0.196 4.516 4.320 0.001 0.000 0.264 246 K C 0.579 177.174 176.600 -0.009 0.000 1.007 246 K CA -0.266 56.018 56.287 -0.005 0.000 0.941 246 K CB 0.378 32.879 32.500 0.001 0.000 0.966 246 K HN 0.495 nan 8.250 nan 0.000 0.480 247 T N -0.671 113.877 114.554 -0.011 0.000 2.802 247 T HA 0.056 4.407 4.350 0.001 0.000 0.305 247 T C -1.886 172.801 174.700 -0.023 0.000 1.053 247 T CA -1.473 60.613 62.100 -0.023 0.000 1.058 247 T CB 0.601 69.454 68.868 -0.025 0.000 0.988 247 T HN 0.258 nan 8.240 nan 0.000 0.539 248 P HA -0.070 nan 4.420 nan 0.000 0.215 248 P C 1.669 178.963 177.300 -0.011 0.000 1.153 248 P CA 0.354 63.431 63.100 -0.039 0.000 0.853 248 P CB -0.053 31.594 31.700 -0.089 0.000 0.788 249 L N -0.264 120.954 121.223 -0.008 0.000 2.056 249 L HA -0.176 4.164 4.340 0.001 0.000 0.207 249 L C 2.247 179.139 176.870 0.036 0.000 1.078 249 L CA 1.907 56.772 54.840 0.042 0.000 0.749 249 L CB -1.446 40.658 42.059 0.075 0.000 0.901 249 L HN -0.063 nan 8.230 nan 0.000 0.433 250 Q N -1.065 118.749 119.800 0.024 0.000 2.135 250 Q HA -0.260 4.081 4.340 0.001 0.000 0.204 250 Q C 2.237 178.258 176.000 0.034 0.000 0.981 250 Q CA 2.012 57.832 55.803 0.027 0.000 0.856 250 Q CB -0.178 28.570 28.738 0.016 0.000 0.902 250 Q HN 0.660 nan 8.270 nan 0.000 0.425 251 Q N 0.494 120.311 119.800 0.028 0.000 2.046 251 Q HA -0.146 4.195 4.340 0.001 0.000 0.200 251 Q C 1.956 177.988 176.000 0.053 0.000 0.975 251 Q CA 1.146 56.968 55.803 0.033 0.000 0.836 251 Q CB 0.040 28.791 28.738 0.022 0.000 0.896 251 Q HN 0.226 nan 8.270 nan 0.000 0.428 252 K N 0.201 120.635 120.400 0.057 0.000 2.057 252 K HA -0.159 4.161 4.320 0.001 0.000 0.207 252 K C 1.901 178.570 176.600 0.115 0.000 1.049 252 K CA 0.970 57.305 56.287 0.081 0.000 0.931 252 K CB -0.059 32.483 32.500 0.070 0.000 0.714 252 K HN 0.030 nan 8.250 nan 0.000 0.440 253 L N 1.376 122.654 121.223 0.093 0.000 2.141 253 L HA -0.173 4.168 4.340 0.001 0.000 0.209 253 L C 1.595 178.573 176.870 0.179 0.000 1.094 253 L CA 1.702 56.620 54.840 0.129 0.000 0.763 253 L CB -0.410 41.692 42.059 0.072 0.000 0.908 253 L HN 0.149 nan 8.230 nan 0.000 0.437 254 D N -0.772 119.695 120.400 0.111 0.000 2.194 254 D HA -0.159 4.481 4.640 0.001 0.000 0.204 254 D C 2.053 178.400 176.300 0.078 0.000 0.964 254 D CA 1.103 55.152 54.000 0.082 0.000 0.846 254 D CB 0.156 40.985 40.800 0.048 0.000 0.962 254 D HN 0.596 nan 8.370 nan 0.000 0.490 255 E N -0.005 120.253 120.200 0.096 0.000 2.152 255 E HA -0.159 4.192 4.350 0.001 0.000 0.192 255 E C 2.021 178.678 176.600 0.096 0.000 0.983 255 E CA 0.399 56.846 56.400 0.079 0.000 0.818 255 E CB -0.545 29.205 29.700 0.083 0.000 0.758 255 E HN 0.208 nan 8.360 nan 0.000 0.467 256 F N 2.203 122.161 119.950 0.015 0.000 2.102 256 F HA 0.077 4.604 4.527 0.001 0.000 0.298 256 F C 2.154 177.955 175.800 0.001 0.000 1.105 256 F CA 2.017 60.023 58.000 0.010 0.000 1.239 256 F CB -0.681 38.321 39.000 0.004 0.000 0.991 256 F HN 0.074 nan 8.300 nan 0.000 0.474 257 G N 0.185 108.932 108.800 -0.089 0.000 2.421 257 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 257 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 257 G C 1.557 176.346 174.900 -0.184 0.000 1.171 257 G CA 0.835 45.827 45.100 -0.180 0.000 0.775 257 G HN 0.350 nan 8.290 nan 0.000 0.543 258 E N 0.466 120.606 120.200 -0.099 0.000 2.038 258 E HA -0.136 4.215 4.350 0.001 0.000 0.195 258 E C 2.737 179.268 176.600 -0.114 0.000 1.000 258 E CA 0.973 57.325 56.400 -0.080 0.000 0.803 258 E CB -0.333 29.345 29.700 -0.036 0.000 0.750 258 E HN 0.332 nan 8.360 nan 0.000 0.448 259 Q N 0.355 120.078 119.800 -0.128 0.000 2.170 259 Q HA -0.113 4.228 4.340 0.001 0.000 0.203 259 Q C 2.333 178.210 176.000 -0.205 0.000 0.976 259 Q CA 0.559 56.285 55.803 -0.128 0.000 0.858 259 Q CB -0.507 28.185 28.738 -0.077 0.000 0.907 259 Q HN 0.206 nan 8.270 nan 0.000 0.433 260 L N 0.961 121.962 121.223 -0.371 0.000 2.093 260 L HA -0.127 4.213 4.340 0.001 0.000 0.208 260 L C 2.127 178.857 176.870 -0.233 0.000 1.085 260 L CA 2.124 56.719 54.840 -0.409 0.000 0.755 260 L CB -0.641 40.998 42.059 -0.701 0.000 0.904 260 L HN 0.218 nan 8.230 nan 0.000 0.435 261 S N -1.655 113.935 115.700 -0.183 0.000 2.461 261 S HA -0.122 4.348 4.470 0.001 0.000 0.228 261 S C 1.989 176.529 174.600 -0.099 0.000 1.005 261 S CA 0.732 58.859 58.200 -0.121 0.000 0.942 261 S CB -0.308 62.836 63.200 -0.093 0.000 0.776 261 S HN 0.418 nan 8.310 nan 0.000 0.514 262 K N 1.786 122.126 120.400 -0.101 0.000 2.116 262 K HA 0.173 4.493 4.320 0.001 0.000 0.203 262 K C 1.756 178.309 176.600 -0.078 0.000 1.052 262 K CA 1.275 57.516 56.287 -0.076 0.000 0.952 262 K CB -0.745 31.716 32.500 -0.064 0.000 0.729 262 K HN 0.269 nan 8.250 nan 0.000 0.446 263 V N 0.960 120.816 119.914 -0.097 0.000 2.323 263 V HA -0.158 3.962 4.120 0.001 0.000 0.244 263 V C 2.247 178.277 176.094 -0.106 0.000 1.041 263 V CA 1.642 63.884 62.300 -0.098 0.000 1.025 263 V CB -0.366 31.394 31.823 -0.104 0.000 0.656 263 V HN 0.252 nan 8.190 nan 0.000 0.451 264 I N 1.340 121.846 120.570 -0.107 0.000 2.091 264 I HA -0.314 3.856 4.170 0.001 0.000 0.239 264 I C 2.779 178.846 176.117 -0.082 0.000 1.061 264 I CA 2.199 63.441 61.300 -0.097 0.000 1.317 264 I CB -0.595 37.349 38.000 -0.093 0.000 1.031 264 I HN 0.504 nan 8.210 nan 0.000 0.401 265 S N 0.881 116.537 115.700 -0.073 0.000 2.383 265 S HA -0.162 4.308 4.470 0.001 0.000 0.229 265 S C 2.063 176.636 174.600 -0.044 0.000 1.030 265 S CA 0.849 59.014 58.200 -0.057 0.000 1.002 265 S CB -0.645 62.521 63.200 -0.057 0.000 0.829 265 S HN 0.292 nan 8.310 nan 0.000 0.467 266 L N 1.516 122.704 121.223 -0.057 0.000 2.017 266 L HA 0.106 4.447 4.340 0.001 0.000 0.208 266 L C 2.473 179.307 176.870 -0.061 0.000 1.073 266 L CA 1.628 56.438 54.840 -0.052 0.000 0.745 266 L CB -1.096 40.925 42.059 -0.065 0.000 0.894 266 L HN 0.407 nan 8.230 nan 0.000 0.432 267 I N -1.351 119.150 120.570 -0.115 0.000 2.614 267 I HA -0.318 3.853 4.170 0.001 0.000 0.258 267 I C 2.585 178.706 176.117 0.007 0.000 1.189 267 I CA 0.545 61.737 61.300 -0.180 0.000 1.462 267 I CB -0.298 37.548 38.000 -0.257 0.000 1.092 267 I HN 0.315 nan 8.210 nan 0.000 0.442 268 C N -0.101 119.222 119.300 0.040 0.000 2.486 268 C HA -0.055 4.406 4.460 0.001 0.000 0.279 268 C C 2.854 177.994 174.990 0.251 0.000 1.302 268 C CA 0.271 59.380 59.018 0.152 0.000 1.720 268 C CB -0.438 27.345 27.740 0.072 0.000 2.030 268 C HN 0.326 nan 8.230 nan 0.000 0.490 269 V N 1.474 121.471 119.914 0.138 0.000 2.490 269 V HA -0.185 3.935 4.120 0.001 0.000 0.250 269 V C 2.637 178.887 176.094 0.260 0.000 1.061 269 V CA 2.115 64.508 62.300 0.154 0.000 1.064 269 V CB -1.204 30.656 31.823 0.061 0.000 0.670 269 V HN 0.596 nan 8.190 nan 0.000 0.461 270 A N 0.134 123.078 122.820 0.207 0.000 1.855 270 A HA -0.150 4.170 4.320 0.001 0.000 0.215 270 A C 2.330 180.134 177.584 0.367 0.000 1.191 270 A CA 1.947 54.136 52.037 0.253 0.000 0.613 270 A CB -0.805 18.297 19.000 0.170 0.000 0.829 270 A HN 0.328 nan 8.150 nan 0.000 0.442 271 V N -2.137 118.051 119.914 0.457 0.000 2.660 271 V HA -0.275 3.846 4.120 0.001 0.000 0.257 271 V C 2.079 178.391 176.094 0.364 0.000 1.088 271 V CA 1.947 64.513 62.300 0.443 0.000 1.106 271 V CB -0.978 31.142 31.823 0.496 0.000 0.686 271 V HN 0.813 nan 8.190 nan 0.000 0.481 272 W N 0.258 121.652 121.300 0.156 0.000 2.480 272 W HA 0.024 4.684 4.660 0.001 0.000 0.299 272 W C 2.034 178.566 176.519 0.023 0.000 1.187 272 W CA 0.899 58.259 57.345 0.025 0.000 1.347 272 W CB -0.091 29.335 29.460 -0.057 0.000 1.121 272 W HN 0.146 nan 8.180 nan 0.000 0.533 273 L N 0.724 122.039 121.223 0.154 0.000 2.456 273 L HA -0.099 4.241 4.340 0.001 0.000 0.224 273 L C 1.587 178.398 176.870 -0.099 0.000 1.148 273 L CA 0.750 55.564 54.840 -0.043 0.000 0.825 273 L CB -0.513 41.615 42.059 0.114 0.000 0.937 273 L HN 0.047 nan 8.230 nan 0.000 0.450 274 I N -1.255 119.300 120.570 -0.025 0.000 3.883 274 I HA -0.018 4.152 4.170 0.001 0.000 0.326 274 I C 0.745 176.814 176.117 -0.082 0.000 1.283 274 I CA 0.530 61.813 61.300 -0.029 0.000 1.161 274 I CB -0.064 37.958 38.000 0.037 0.000 1.012 274 I HN 0.260 nan 8.210 nan 0.000 0.421 275 N N 0.445 119.062 118.700 -0.138 0.000 2.377 275 N HA 0.309 5.049 4.740 0.001 0.000 0.259 275 N C 1.258 176.630 175.510 -0.229 0.000 1.332 275 N CA -0.043 52.937 53.050 -0.118 0.000 0.877 275 N CB 0.855 39.411 38.487 0.114 0.000 1.299 275 N HN 0.192 nan 8.380 nan 0.000 0.501 276 I N 0.008 120.340 120.570 -0.397 0.000 3.001 276 I HA -0.037 4.133 4.170 0.001 0.000 0.268 276 I C 2.338 178.299 176.117 -0.260 0.000 1.267 276 I CA 0.670 61.634 61.300 -0.559 0.000 1.472 276 I CB -0.113 37.491 38.000 -0.661 0.000 1.089 276 I HN 0.203 nan 8.210 nan 0.000 0.468 277 G N 0.131 108.805 108.800 -0.210 0.000 2.471 277 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 277 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 277 G C 1.414 176.278 174.900 -0.061 0.000 1.125 277 G CA 0.285 45.295 45.100 -0.149 0.000 0.775 277 G HN 0.386 nan 8.290 nan 0.000 0.548 278 H N -0.249 118.848 119.070 0.044 0.000 2.518 278 H HA -0.020 4.536 4.556 0.001 0.000 0.292 278 H C 1.677 177.037 175.328 0.053 0.000 1.068 278 H CA 0.521 56.585 56.048 0.027 0.000 1.275 278 H CB -0.153 29.583 29.762 -0.044 0.000 1.375 278 H HN 0.375 nan 8.280 nan 0.000 0.563 279 F N 0.610 120.539 119.950 -0.035 0.000 2.771 279 F HA -0.032 4.496 4.527 0.001 0.000 0.299 279 F C 1.734 177.536 175.800 0.003 0.000 1.177 279 F CA 0.363 58.344 58.000 -0.031 0.000 1.450 279 F CB 0.011 38.974 39.000 -0.062 0.000 1.114 279 F HN 0.139 nan 8.300 nan 0.000 0.587 280 N N -0.872 117.923 118.700 0.159 0.000 2.322 280 N HA -0.019 4.721 4.740 0.001 0.000 0.181 280 N C 0.019 175.584 175.510 0.091 0.000 1.088 280 N CA 0.210 53.320 53.050 0.100 0.000 0.885 280 N CB 0.169 38.688 38.487 0.055 0.000 1.013 280 N HN 0.140 nan 8.380 nan 0.000 0.472 281 D N 2.677 123.142 120.400 0.108 0.000 2.382 281 D HA 0.098 4.738 4.640 0.001 0.000 0.240 281 D C -1.847 174.535 176.300 0.136 0.000 1.146 281 D CA -0.688 53.385 54.000 0.122 0.000 0.897 281 D CB 0.513 41.411 40.800 0.163 0.000 1.197 281 D HN 0.137 nan 8.370 nan 0.000 0.432 282 P HA -0.064 nan 4.420 nan 0.000 0.266 282 P C 0.911 178.314 177.300 0.173 0.000 1.195 282 P CA -0.240 62.943 63.100 0.139 0.000 0.768 282 P CB 1.073 32.846 31.700 0.121 0.000 0.838 283 V N 3.797 123.789 119.914 0.130 0.000 2.295 283 V HA -0.178 3.942 4.120 0.001 0.000 0.246 283 V C 0.775 176.746 176.094 -0.205 0.000 1.049 283 V CA 1.587 63.899 62.300 0.020 0.000 1.024 283 V CB -1.275 30.459 31.823 -0.148 0.000 0.648 283 V HN 0.582 nan 8.190 nan 0.000 0.447 284 H N 0.322 119.340 119.070 -0.086 0.000 2.815 284 H HA 0.503 5.060 4.556 0.001 0.000 0.350 284 H C 0.823 176.095 175.328 -0.092 0.000 1.080 284 H CA 1.097 57.065 56.048 -0.133 0.000 1.433 284 H CB 0.235 29.945 29.762 -0.088 0.000 1.432 284 H HN 0.728 nan 8.280 nan 0.000 0.592 285 G N 1.129 109.914 108.800 -0.025 0.000 2.562 285 G HA2 0.178 4.139 3.960 0.001 0.000 0.250 285 G HA3 0.178 4.139 3.960 0.001 0.000 0.250 285 G C 0.394 175.311 174.900 0.028 0.000 1.269 285 G CA -0.240 44.857 45.100 -0.005 0.000 0.919 285 G HN 1.565 nan 8.290 nan 0.000 0.574 286 G N -2.502 106.347 108.800 0.081 0.000 2.846 286 G HA2 0.254 4.215 3.960 0.001 0.000 0.660 286 G HA3 0.254 4.215 3.960 0.001 0.000 0.660 286 G C 0.273 175.270 174.900 0.162 0.000 1.464 286 G CA 0.508 45.698 45.100 0.150 0.000 0.891 286 G HN 2.079 nan 8.290 nan 0.000 0.552 287 S N 0.890 116.675 115.700 0.142 0.000 3.812 287 S HA 0.272 4.742 4.470 0.001 0.000 0.195 287 S C 1.074 175.766 174.600 0.153 0.000 1.460 287 S CA 0.106 58.373 58.200 0.112 0.000 1.052 287 S CB -0.085 63.143 63.200 0.046 0.000 1.385 287 S HN 0.511 nan 8.310 nan 0.000 0.490 288 W N 1.377 122.640 121.300 -0.062 0.000 2.332 288 W HA -0.103 4.557 4.660 0.001 0.000 0.321 288 W C 1.992 178.477 176.519 -0.056 0.000 1.219 288 W CA 0.464 57.764 57.345 -0.074 0.000 1.277 288 W CB -0.587 28.826 29.460 -0.078 0.000 1.161 288 W HN 0.514 nan 8.180 nan 0.000 0.476 289 I N 0.715 121.409 120.570 0.207 0.000 2.315 289 I HA -0.190 3.981 4.170 0.001 0.000 0.248 289 I C 2.209 178.360 176.117 0.057 0.000 1.117 289 I CA 1.640 62.993 61.300 0.088 0.000 1.404 289 I CB -0.495 37.538 38.000 0.054 0.000 1.071 289 I HN -0.089 nan 8.210 nan 0.000 0.419 290 R N 0.007 120.549 120.500 0.069 0.000 2.280 290 R HA 0.063 4.403 4.340 0.001 0.000 0.207 290 R C 2.088 178.439 176.300 0.085 0.000 1.043 290 R CA 0.831 56.971 56.100 0.066 0.000 1.006 290 R CB -0.490 29.840 30.300 0.050 0.000 0.885 290 R HN 0.522 nan 8.270 nan 0.000 0.467 291 G N 0.730 109.565 108.800 0.057 0.000 2.441 291 G HA2 -0.088 3.872 3.960 0.001 0.000 0.212 291 G HA3 -0.088 3.872 3.960 0.001 0.000 0.212 291 G C 1.540 176.548 174.900 0.179 0.000 1.164 291 G CA 0.491 45.623 45.100 0.054 0.000 0.811 291 G HN 0.301 nan 8.290 nan 0.000 0.535 292 A N 1.197 124.086 122.820 0.116 0.000 1.883 292 A HA -0.006 4.315 4.320 0.001 0.000 0.217 292 A C 2.361 180.101 177.584 0.260 0.000 1.186 292 A CA 1.347 53.494 52.037 0.184 0.000 0.624 292 A CB -0.460 18.542 19.000 0.003 0.000 0.822 292 A HN 0.352 nan 8.150 nan 0.000 0.444 293 I N -1.941 118.700 120.570 0.119 0.000 2.264 293 I HA -0.292 3.879 4.170 0.001 0.000 0.248 293 I C 2.476 178.737 176.117 0.240 0.000 1.111 293 I CA 1.880 63.250 61.300 0.117 0.000 1.382 293 I CB -0.458 37.586 38.000 0.073 0.000 1.060 293 I HN 0.560 nan 8.210 nan 0.000 0.418 294 Y N 0.742 121.136 120.300 0.156 0.000 2.165 294 Y HA -0.363 4.187 4.550 0.001 0.000 0.286 294 Y C 2.566 178.597 175.900 0.219 0.000 1.155 294 Y CA 1.817 60.011 58.100 0.157 0.000 1.164 294 Y CB -0.572 37.964 38.460 0.127 0.000 0.978 294 Y HN 0.198 nan 8.280 nan 0.000 0.513 295 Y N -0.511 119.915 120.300 0.209 0.000 2.133 295 Y HA -0.219 4.331 4.550 0.001 0.000 0.287 295 Y C 1.962 177.912 175.900 0.083 0.000 1.134 295 Y CA 1.856 60.032 58.100 0.127 0.000 1.133 295 Y CB -1.084 37.530 38.460 0.257 0.000 0.987 295 Y HN 0.091 nan 8.280 nan 0.000 0.502 296 F N 0.890 120.813 119.950 -0.045 0.000 2.202 296 F HA -0.179 4.348 4.527 0.001 0.000 0.301 296 F C 2.402 178.100 175.800 -0.170 0.000 1.082 296 F CA 1.725 59.648 58.000 -0.130 0.000 1.313 296 F CB -0.615 38.397 39.000 0.020 0.000 1.024 296 F HN 0.023 nan 8.300 nan 0.000 0.495 297 K N 0.456 120.876 120.400 0.033 0.000 2.097 297 K HA -0.128 4.193 4.320 0.001 0.000 0.205 297 K C 2.041 178.551 176.600 -0.150 0.000 1.050 297 K CA 1.595 57.855 56.287 -0.046 0.000 0.938 297 K CB -0.310 32.163 32.500 -0.044 0.000 0.718 297 K HN 0.414 nan 8.250 nan 0.000 0.442 298 I N -2.879 117.523 120.570 -0.281 0.000 2.761 298 I HA 0.013 4.183 4.170 0.001 0.000 0.261 298 I C 2.051 178.023 176.117 -0.240 0.000 1.198 298 I CA 0.812 61.959 61.300 -0.256 0.000 1.482 298 I CB -0.167 37.662 38.000 -0.286 0.000 1.100 298 I HN -0.104 nan 8.210 nan 0.000 0.445 299 A N 1.835 124.444 122.820 -0.352 0.000 1.855 299 A HA -0.068 4.252 4.320 0.001 0.000 0.215 299 A C 2.398 179.879 177.584 -0.172 0.000 1.191 299 A CA 2.074 53.908 52.037 -0.337 0.000 0.613 299 A CB -1.093 17.607 19.000 -0.499 0.000 0.829 299 A HN 0.306 nan 8.150 nan 0.000 0.442 300 V N 0.084 119.930 119.914 -0.114 0.000 2.255 300 V HA -0.294 3.826 4.120 0.001 0.000 0.247 300 V C 3.084 179.157 176.094 -0.034 0.000 1.051 300 V CA 2.159 64.434 62.300 -0.041 0.000 1.018 300 V CB -1.389 30.438 31.823 0.007 0.000 0.641 300 V HN 0.622 nan 8.190 nan 0.000 0.445 301 A N -0.311 122.484 122.820 -0.042 0.000 1.940 301 A HA -0.185 4.135 4.320 0.001 0.000 0.219 301 A C 2.258 179.826 177.584 -0.026 0.000 1.176 301 A CA 1.879 53.903 52.037 -0.023 0.000 0.631 301 A CB -0.571 18.412 19.000 -0.029 0.000 0.814 301 A HN 0.419 nan 8.150 nan 0.000 0.446 302 L N -0.405 120.787 121.223 -0.052 0.000 2.017 302 L HA -0.153 4.187 4.340 0.001 0.000 0.208 302 L C 2.696 179.541 176.870 -0.042 0.000 1.073 302 L CA 2.513 57.325 54.840 -0.045 0.000 0.745 302 L CB -1.363 40.653 42.059 -0.072 0.000 0.894 302 L HN 0.415 nan 8.230 nan 0.000 0.432 303 A N -0.891 121.900 122.820 -0.048 0.000 1.898 303 A HA -0.118 4.203 4.320 0.001 0.000 0.216 303 A C 2.267 179.843 177.584 -0.014 0.000 1.181 303 A CA 1.684 53.699 52.037 -0.037 0.000 0.620 303 A CB -0.737 18.241 19.000 -0.037 0.000 0.819 303 A HN 0.324 nan 8.150 nan 0.000 0.442 304 V N -0.162 119.750 119.914 -0.002 0.000 2.427 304 V HA -0.200 3.920 4.120 0.001 0.000 0.248 304 V C 2.958 179.060 176.094 0.013 0.000 1.051 304 V CA 1.805 64.114 62.300 0.016 0.000 1.048 304 V CB -1.184 30.657 31.823 0.031 0.000 0.666 304 V HN 0.587 nan 8.190 nan 0.000 0.456 305 A N -0.114 122.708 122.820 0.004 0.000 1.968 305 A HA 0.067 4.387 4.320 0.001 0.000 0.217 305 A C 2.371 179.952 177.584 -0.005 0.000 1.169 305 A CA 1.688 53.725 52.037 0.000 0.000 0.638 305 A CB -0.517 18.483 19.000 0.000 0.000 0.812 305 A HN 0.530 nan 8.150 nan 0.000 0.446 306 A N -0.215 122.599 122.820 -0.010 0.000 1.897 306 A HA 0.204 4.524 4.320 0.001 0.000 0.215 306 A C 0.898 178.498 177.584 0.027 0.000 1.181 306 A CA 0.496 52.528 52.037 -0.009 0.000 0.620 306 A CB -0.299 18.676 19.000 -0.042 0.000 0.821 306 A HN 0.338 nan 8.150 nan 0.000 0.443 307 I N 1.563 122.146 120.570 0.023 0.000 2.517 307 I HA 0.149 4.320 4.170 0.001 0.000 0.285 307 I C -2.401 173.746 176.117 0.051 0.000 1.106 307 I CA -2.642 58.691 61.300 0.054 0.000 1.402 307 I CB 0.139 38.160 38.000 0.034 0.000 1.399 307 I HN 0.110 nan 8.210 nan 0.000 0.535 308 P HA 0.229 nan 4.420 nan 0.000 0.247 308 P C 0.137 177.442 177.300 0.007 0.000 1.756 308 P CA -0.320 62.787 63.100 0.011 0.000 1.117 308 P CB 0.516 32.208 31.700 -0.014 0.000 1.869 309 E N 1.878 122.079 120.200 0.001 0.000 2.209 309 E HA -0.117 4.233 4.350 0.001 0.000 0.196 309 E C 2.119 178.705 176.600 -0.023 0.000 0.993 309 E CA 1.714 58.114 56.400 -0.001 0.000 0.819 309 E CB -0.523 29.180 29.700 0.005 0.000 0.745 309 E HN 0.517 nan 8.360 nan 0.000 0.477 310 G N -0.234 108.539 108.800 -0.045 0.000 3.088 310 G HA2 -0.026 3.934 3.960 0.001 0.000 0.217 310 G HA3 -0.026 3.934 3.960 0.001 0.000 0.217 310 G C 1.261 176.118 174.900 -0.071 0.000 1.159 310 G CA -0.153 44.906 45.100 -0.069 0.000 0.760 310 G HN 0.156 nan 8.290 nan 0.000 0.550 311 L N 2.153 123.348 121.223 -0.047 0.000 2.012 311 L HA 0.041 4.382 4.340 0.001 0.000 0.210 311 L C 0.158 177.021 176.870 -0.013 0.000 1.073 311 L CA 2.096 56.921 54.840 -0.025 0.000 0.748 311 L CB -0.909 41.141 42.059 -0.014 0.000 0.891 311 L HN 0.044 nan 8.230 nan 0.000 0.431 312 P HA -0.174 nan 4.420 nan 0.000 0.215 312 P C 1.449 178.731 177.300 -0.030 0.000 1.153 312 P CA 2.156 65.252 63.100 -0.007 0.000 0.853 312 P CB -0.217 31.480 31.700 -0.005 0.000 0.788 313 A N -0.208 122.578 122.820 -0.057 0.000 1.969 313 A HA -0.077 4.243 4.320 0.001 0.000 0.218 313 A C 2.432 179.942 177.584 -0.124 0.000 1.169 313 A CA 1.490 53.479 52.037 -0.081 0.000 0.635 313 A CB -1.548 17.399 19.000 -0.089 0.000 0.810 313 A HN 0.066 nan 8.150 nan 0.000 0.445 314 V N 0.182 119.996 119.914 -0.166 0.000 2.427 314 V HA -0.227 3.894 4.120 0.001 0.000 0.248 314 V C 2.378 178.301 176.094 -0.285 0.000 1.051 314 V CA 1.766 63.870 62.300 -0.326 0.000 1.048 314 V CB -0.634 30.900 31.823 -0.480 0.000 0.666 314 V HN 0.562 nan 8.190 nan 0.000 0.456 315 I N 0.064 120.597 120.570 -0.061 0.000 2.179 315 I HA -0.236 3.934 4.170 0.001 0.000 0.242 315 I C 2.588 178.722 176.117 0.028 0.000 1.088 315 I CA 1.895 63.256 61.300 0.101 0.000 1.357 315 I CB -0.680 37.395 38.000 0.124 0.000 1.051 315 I HN 0.313 nan 8.210 nan 0.000 0.409 316 T N 0.114 114.663 114.554 -0.009 0.000 2.684 316 T HA -0.182 4.169 4.350 0.001 0.000 0.267 316 T C 1.877 176.556 174.700 -0.034 0.000 1.036 316 T CA 2.146 64.240 62.100 -0.010 0.000 1.148 316 T CB -0.418 68.443 68.868 -0.012 0.000 0.863 316 T HN 0.365 nan 8.240 nan 0.000 0.436 317 T N 0.848 115.354 114.554 -0.080 0.000 2.788 317 T HA -0.135 4.215 4.350 0.001 0.000 0.268 317 T C 2.255 176.881 174.700 -0.123 0.000 1.044 317 T CA 1.229 63.267 62.100 -0.103 0.000 1.139 317 T CB -0.722 68.060 68.868 -0.144 0.000 0.867 317 T HN 0.553 nan 8.240 nan 0.000 0.454 318 C N 0.912 120.121 119.300 -0.151 0.000 2.450 318 C HA 0.111 4.571 4.460 0.001 0.000 0.279 318 C C 2.410 177.371 174.990 -0.049 0.000 1.335 318 C CA 0.144 59.073 59.018 -0.149 0.000 1.749 318 C CB -1.447 26.246 27.740 -0.079 0.000 1.963 318 C HN 0.319 nan 8.230 nan 0.000 0.501 319 L N 1.661 122.880 121.223 -0.007 0.000 2.072 319 L HA 0.114 4.454 4.340 0.001 0.000 0.205 319 L C 2.890 179.763 176.870 0.006 0.000 1.079 319 L CA 2.176 57.024 54.840 0.013 0.000 0.752 319 L CB -1.521 40.554 42.059 0.027 0.000 0.906 319 L HN 0.416 nan 8.230 nan 0.000 0.436 320 A N -0.652 122.167 122.820 -0.001 0.000 1.877 320 A HA -0.168 4.153 4.320 0.001 0.000 0.216 320 A C 2.297 179.885 177.584 0.007 0.000 1.186 320 A CA 1.585 53.627 52.037 0.008 0.000 0.620 320 A CB -0.738 18.266 19.000 0.007 0.000 0.822 320 A HN 0.376 nan 8.150 nan 0.000 0.443 321 L N -0.797 120.424 121.223 -0.004 0.000 2.046 321 L HA -0.131 4.209 4.340 0.001 0.000 0.208 321 L C 2.814 179.698 176.870 0.023 0.000 1.077 321 L CA 1.180 56.031 54.840 0.017 0.000 0.747 321 L CB -0.933 41.147 42.059 0.035 0.000 0.896 321 L HN 0.511 nan 8.230 nan 0.000 0.432 322 G N -0.926 107.879 108.800 0.009 0.000 2.408 322 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 322 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 322 G C 1.596 176.505 174.900 0.015 0.000 1.150 322 G CA 1.106 46.215 45.100 0.015 0.000 0.776 322 G HN 0.239 nan 8.290 nan 0.000 0.542 323 T N 0.638 115.200 114.554 0.014 0.000 2.708 323 T HA -0.083 4.268 4.350 0.001 0.000 0.266 323 T C 2.515 177.223 174.700 0.015 0.000 1.037 323 T CA 1.058 63.166 62.100 0.013 0.000 1.146 323 T CB -0.135 68.742 68.868 0.016 0.000 0.865 323 T HN 0.256 nan 8.240 nan 0.000 0.435 324 R N 0.558 121.069 120.500 0.018 0.000 2.096 324 R HA 0.013 4.353 4.340 0.001 0.000 0.235 324 R C 2.660 178.970 176.300 0.017 0.000 1.127 324 R CA 0.978 57.089 56.100 0.018 0.000 0.968 324 R CB -0.227 30.085 30.300 0.021 0.000 0.861 324 R HN 0.294 nan 8.270 nan 0.000 0.440 325 R N 0.914 121.426 120.500 0.019 0.000 2.075 325 R HA -0.042 4.298 4.340 0.001 0.000 0.232 325 R C 2.202 178.510 176.300 0.013 0.000 1.126 325 R CA 1.256 57.367 56.100 0.018 0.000 0.963 325 R CB -0.029 30.286 30.300 0.025 0.000 0.858 325 R HN 0.159 nan 8.270 nan 0.000 0.435 326 M N 0.070 119.676 119.600 0.010 0.000 2.159 326 M HA -0.094 4.387 4.480 0.001 0.000 0.263 326 M C 2.477 178.778 176.300 0.002 0.000 1.063 326 M CA 1.594 56.896 55.300 0.003 0.000 1.110 326 M CB -0.306 32.294 32.600 -0.000 0.000 1.374 326 M HN 0.275 nan 8.290 nan 0.000 0.411 327 A N 0.934 123.757 122.820 0.005 0.000 1.892 327 A HA -0.200 4.120 4.320 0.001 0.000 0.218 327 A C 2.145 179.732 177.584 0.005 0.000 1.188 327 A CA 1.701 53.741 52.037 0.005 0.000 0.631 327 A CB -0.588 18.417 19.000 0.009 0.000 0.822 327 A HN 0.345 nan 8.150 nan 0.000 0.447 328 K N 0.016 120.421 120.400 0.007 0.000 2.211 328 K HA -0.131 4.190 4.320 0.001 0.000 0.204 328 K C 1.103 177.706 176.600 0.005 0.000 1.047 328 K CA 1.430 57.721 56.287 0.008 0.000 0.935 328 K CB -0.228 32.278 32.500 0.010 0.000 0.728 328 K HN 0.552 nan 8.250 nan 0.000 0.452 329 K N 0.829 121.230 120.400 0.002 0.000 2.469 329 K HA 0.088 4.409 4.320 0.001 0.000 0.201 329 K C -0.183 176.413 176.600 -0.006 0.000 1.028 329 K CA -0.161 56.125 56.287 -0.002 0.000 1.170 329 K CB 0.186 32.683 32.500 -0.005 0.000 0.874 329 K HN 0.084 nan 8.250 nan 0.000 0.507 330 N N -0.348 118.350 118.700 -0.003 0.000 2.878 330 N HA -0.167 4.574 4.740 0.001 0.000 0.247 330 N C -0.707 174.798 175.510 -0.008 0.000 1.021 330 N CA 1.145 54.193 53.050 -0.004 0.000 0.873 330 N CB -1.105 37.380 38.487 -0.003 0.000 1.128 330 N HN 0.327 nan 8.380 nan 0.000 0.571 331 A N 0.905 123.718 122.820 -0.011 0.000 2.256 331 A HA 0.665 4.985 4.320 0.001 0.000 0.317 331 A C 0.403 177.982 177.584 -0.008 0.000 1.318 331 A CA -0.451 51.577 52.037 -0.015 0.000 0.894 331 A CB 0.364 19.350 19.000 -0.024 0.000 1.165 331 A HN 0.239 nan 8.150 nan 0.000 0.525 332 I N 3.776 124.342 120.570 -0.006 0.000 2.291 332 I HA 0.198 4.369 4.170 0.001 0.000 0.290 332 I C -0.404 175.711 176.117 -0.004 0.000 1.050 332 I CA -0.539 60.760 61.300 -0.003 0.000 1.245 332 I CB 1.276 39.276 38.000 -0.001 0.000 1.405 332 I HN 0.262 nan 8.210 nan 0.000 0.478 333 V N 7.684 127.597 119.914 -0.002 0.000 2.461 333 V HA 0.257 4.377 4.120 0.001 0.000 0.275 333 V C 1.201 177.294 176.094 -0.001 0.000 1.047 333 V CA -0.258 62.040 62.300 -0.003 0.000 0.955 333 V CB 1.221 33.043 31.823 -0.001 0.000 0.988 333 V HN 0.744 nan 8.190 nan 0.000 0.471 334 R N 2.002 122.499 120.500 -0.005 0.000 2.175 334 R HA 0.148 4.488 4.340 0.001 0.000 0.202 334 R C 0.789 177.084 176.300 -0.008 0.000 1.018 334 R CA 0.272 56.367 56.100 -0.008 0.000 1.029 334 R CB 0.338 30.631 30.300 -0.012 0.000 0.959 334 R HN 0.557 nan 8.270 nan 0.000 0.480 335 S N 1.166 116.862 115.700 -0.007 0.000 2.498 335 S HA 0.205 4.675 4.470 0.001 0.000 0.324 335 S C 1.125 175.726 174.600 0.001 0.000 1.071 335 S CA -0.609 57.588 58.200 -0.005 0.000 1.113 335 S CB 0.673 63.868 63.200 -0.010 0.000 0.976 335 S HN 0.039 nan 8.310 nan 0.000 0.462 336 L N 6.050 127.279 121.223 0.009 0.000 2.013 336 L HA 0.010 4.350 4.340 0.001 0.000 0.212 336 L C -0.720 176.159 176.870 0.014 0.000 1.073 336 L CA 1.977 56.827 54.840 0.016 0.000 0.753 336 L CB -2.799 39.275 42.059 0.025 0.000 0.890 336 L HN 0.486 nan 8.230 nan 0.000 0.432 337 P HA -0.078 nan 4.420 nan 0.000 0.223 337 P C 1.773 179.072 177.300 -0.003 0.000 1.144 337 P CA 1.016 64.121 63.100 0.008 0.000 0.783 337 P CB 0.054 31.757 31.700 0.005 0.000 0.771 338 S N -0.541 115.156 115.700 -0.006 0.000 2.423 338 S HA -0.122 4.348 4.470 0.001 0.000 0.231 338 S C 1.986 176.574 174.600 -0.019 0.000 1.014 338 S CA 1.309 59.500 58.200 -0.015 0.000 0.965 338 S CB -1.405 61.787 63.200 -0.014 0.000 0.785 338 S HN 0.151 nan 8.310 nan 0.000 0.495 339 V N 1.685 121.594 119.914 -0.008 0.000 2.278 339 V HA -0.303 3.818 4.120 0.001 0.000 0.251 339 V C 2.248 178.332 176.094 -0.016 0.000 1.062 339 V CA 2.347 64.644 62.300 -0.005 0.000 1.038 339 V CB -1.032 30.799 31.823 0.014 0.000 0.646 339 V HN 0.602 nan 8.190 nan 0.000 0.447 340 E N 0.999 121.184 120.200 -0.024 0.000 2.077 340 E HA -0.222 4.128 4.350 0.001 0.000 0.193 340 E C 2.176 178.695 176.600 -0.134 0.000 0.989 340 E CA 2.153 58.498 56.400 -0.091 0.000 0.800 340 E CB -0.439 29.188 29.700 -0.122 0.000 0.746 340 E HN 0.750 nan 8.360 nan 0.000 0.452 341 T N 1.718 116.216 114.554 -0.092 0.000 2.759 341 T HA -0.180 4.171 4.350 0.001 0.000 0.269 341 T C 1.840 176.500 174.700 -0.067 0.000 1.042 341 T CA 1.151 63.202 62.100 -0.082 0.000 1.140 341 T CB -0.294 68.543 68.868 -0.052 0.000 0.864 341 T HN 0.102 nan 8.240 nan 0.000 0.455 342 L N 1.691 122.882 121.223 -0.053 0.000 2.046 342 L HA 0.144 4.485 4.340 0.001 0.000 0.208 342 L C 2.616 179.456 176.870 -0.050 0.000 1.077 342 L CA 1.778 56.590 54.840 -0.045 0.000 0.747 342 L CB -1.171 40.865 42.059 -0.038 0.000 0.896 342 L HN 0.330 nan 8.230 nan 0.000 0.432 343 G N -1.905 106.861 108.800 -0.057 0.000 2.443 343 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 343 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 343 G C 1.336 176.195 174.900 -0.068 0.000 1.131 343 G CA 0.924 45.993 45.100 -0.052 0.000 0.775 343 G HN 0.530 nan 8.290 nan 0.000 0.547 344 C N 1.252 120.496 119.300 -0.093 0.000 2.697 344 C HA 0.236 4.696 4.460 0.001 0.000 0.267 344 C C 1.343 176.305 174.990 -0.047 0.000 1.278 344 C CA -0.828 58.139 59.018 -0.085 0.000 1.708 344 C CB -1.230 26.442 27.740 -0.115 0.000 1.860 344 C HN 0.253 nan 8.230 nan 0.000 0.589 345 T N 2.051 116.582 114.554 -0.038 0.000 2.891 345 T HA 0.058 4.408 4.350 0.001 0.000 0.296 345 T C 1.194 175.890 174.700 -0.006 0.000 1.025 345 T CA 0.960 63.048 62.100 -0.019 0.000 1.149 345 T CB 0.498 69.353 68.868 -0.022 0.000 1.007 345 T HN 0.711 nan 8.240 nan 0.000 0.528 346 S N 1.306 117.011 115.700 0.008 0.000 2.554 346 S HA 0.321 4.791 4.470 0.001 0.000 0.227 346 S C 0.280 174.898 174.600 0.030 0.000 1.050 346 S CA -0.423 57.788 58.200 0.017 0.000 0.927 346 S CB 0.496 63.709 63.200 0.021 0.000 0.859 346 S HN 0.422 nan 8.310 nan 0.000 0.494 347 V N 2.288 122.225 119.914 0.038 0.000 2.623 347 V HA 0.530 4.651 4.120 0.001 0.000 0.304 347 V C -1.160 174.971 176.094 0.063 0.000 1.054 347 V CA -0.713 61.620 62.300 0.055 0.000 0.882 347 V CB 1.740 33.603 31.823 0.067 0.000 1.002 347 V HN 0.382 nan 8.190 nan 0.000 0.424 348 I N 3.723 124.345 120.570 0.088 0.000 2.354 348 I HA 0.381 4.551 4.170 0.001 0.000 0.286 348 I C -0.412 175.790 176.117 0.142 0.000 1.007 348 I CA -0.180 61.190 61.300 0.117 0.000 1.167 348 I CB 1.398 39.497 38.000 0.166 0.000 1.320 348 I HN 0.530 nan 8.210 nan 0.000 0.458 349 C N 4.435 123.803 119.300 0.114 0.000 2.303 349 C HA 0.491 4.952 4.460 0.001 0.000 0.341 349 C C 0.700 175.757 174.990 0.111 0.000 1.244 349 C CA -0.297 58.784 59.018 0.104 0.000 1.765 349 C CB 0.099 27.885 27.740 0.078 0.000 2.379 349 C HN 0.757 nan 8.230 nan 0.000 0.530 350 S N 2.665 118.425 115.700 0.100 0.000 2.532 350 S HA 0.336 4.806 4.470 0.001 0.000 0.299 350 S C -0.666 173.956 174.600 0.037 0.000 1.105 350 S CA -0.554 57.708 58.200 0.102 0.000 1.018 350 S CB 0.493 63.791 63.200 0.164 0.000 1.021 350 S HN 0.757 nan 8.310 nan 0.000 0.483 351 D N 3.060 123.486 120.400 0.044 0.000 2.399 351 D HA 0.083 4.724 4.640 0.001 0.000 0.241 351 D C 0.890 177.191 176.300 0.002 0.000 1.133 351 D CA -0.042 53.971 54.000 0.022 0.000 0.890 351 D CB 0.983 41.799 40.800 0.025 0.000 1.201 351 D HN 0.562 nan 8.370 nan 0.000 0.432 352 K N 0.588 120.980 120.400 -0.013 0.000 2.029 352 K HA -0.040 4.280 4.320 0.001 0.000 0.205 352 K C 0.217 176.807 176.600 -0.016 0.000 1.042 352 K CA 0.586 56.851 56.287 -0.036 0.000 0.949 352 K CB -0.018 32.458 32.500 -0.039 0.000 0.740 352 K HN 0.312 nan 8.250 nan 0.000 0.442 353 T N 1.009 115.562 114.554 -0.001 0.000 2.758 353 T HA 0.155 4.505 4.350 0.001 0.000 0.281 353 T C 0.695 175.405 174.700 0.018 0.000 0.963 353 T CA 0.789 62.894 62.100 0.008 0.000 1.201 353 T CB 0.321 69.196 68.868 0.012 0.000 0.906 353 T HN 0.629 nan 8.240 nan 0.000 0.528 354 G N 3.395 112.207 108.800 0.019 0.000 2.217 354 G HA2 -0.313 3.648 3.960 0.001 0.000 0.246 354 G HA3 -0.313 3.648 3.960 0.001 0.000 0.246 354 G C 0.937 175.860 174.900 0.037 0.000 0.990 354 G CA 0.521 45.639 45.100 0.029 0.000 0.627 354 G HN 0.675 nan 8.290 nan 0.000 0.522 355 T N -0.228 114.351 114.554 0.041 0.000 3.085 355 T HA 0.351 4.701 4.350 0.001 0.000 0.241 355 T C 2.280 177.028 174.700 0.081 0.000 0.988 355 T CA 0.969 63.115 62.100 0.077 0.000 1.117 355 T CB 0.103 69.028 68.868 0.094 0.000 0.978 355 T HN 0.166 nan 8.240 nan 0.000 0.454 356 L N 1.443 122.669 121.223 0.005 0.000 2.298 356 L HA 0.216 4.557 4.340 0.001 0.000 0.209 356 L C 1.426 178.271 176.870 -0.041 0.000 1.084 356 L CA 0.555 55.353 54.840 -0.070 0.000 0.816 356 L CB -0.025 41.926 42.059 -0.180 0.000 0.967 356 L HN 0.366 nan 8.230 nan 0.000 0.460 357 T N -5.202 109.338 114.554 -0.022 0.000 2.938 357 T HA 0.215 4.566 4.350 0.001 0.000 0.285 357 T C 0.933 175.633 174.700 -0.001 0.000 1.028 357 T CA 0.072 62.162 62.100 -0.018 0.000 1.005 357 T CB 1.544 70.400 68.868 -0.020 0.000 1.157 357 T HN 0.090 nan 8.240 nan 0.000 0.550 358 T N -2.010 112.540 114.554 -0.007 0.000 3.065 358 T HA 0.179 4.529 4.350 0.001 0.000 0.252 358 T C 1.020 175.728 174.700 0.014 0.000 1.099 358 T CA 0.553 62.654 62.100 0.000 0.000 1.063 358 T CB -0.885 67.972 68.868 -0.018 0.000 0.948 358 T HN 0.929 nan 8.240 nan 0.000 0.506 359 N N 0.565 119.275 118.700 0.017 0.000 2.800 359 N HA -0.156 4.585 4.740 0.001 0.000 0.250 359 N C -1.049 174.508 175.510 0.079 0.000 1.078 359 N CA 0.222 53.300 53.050 0.048 0.000 0.804 359 N CB -0.484 38.039 38.487 0.059 0.000 1.135 359 N HN 0.457 nan 8.380 nan 0.000 0.565 360 Q N 1.073 120.869 119.800 -0.006 0.000 2.431 360 Q HA 0.269 4.610 4.340 0.001 0.000 0.249 360 Q C -0.461 175.419 176.000 -0.201 0.000 1.025 360 Q CA -0.077 55.630 55.803 -0.160 0.000 0.835 360 Q CB 1.432 30.036 28.738 -0.224 0.000 1.207 360 Q HN 0.313 nan 8.270 nan 0.000 0.490 361 M N 2.183 121.717 119.600 -0.110 0.000 2.233 361 M HA 0.293 4.773 4.480 0.001 0.000 0.355 361 M C -0.542 175.694 176.300 -0.107 0.000 1.191 361 M CA 0.025 55.307 55.300 -0.031 0.000 1.101 361 M CB 1.225 33.899 32.600 0.124 0.000 1.592 361 M HN 0.510 nan 8.290 nan 0.000 0.461 362 S N 3.289 118.936 115.700 -0.089 0.000 2.536 362 S HA 0.707 5.178 4.470 0.001 0.000 0.271 362 S C -1.183 173.382 174.600 -0.060 0.000 1.134 362 S CA -1.081 57.068 58.200 -0.086 0.000 0.897 362 S CB 1.078 64.192 63.200 -0.144 0.000 1.094 362 S HN 0.488 nan 8.310 nan 0.000 0.473 363 V N 2.514 122.401 119.914 -0.045 0.000 2.555 363 V HA 0.186 4.307 4.120 0.001 0.000 0.286 363 V C 0.724 176.768 176.094 -0.082 0.000 1.044 363 V CA -0.300 61.969 62.300 -0.051 0.000 1.026 363 V CB 0.549 32.350 31.823 -0.036 0.000 0.981 363 V HN 1.198 nan 8.190 nan 0.000 0.480 364 C N 3.660 122.888 119.300 -0.120 0.000 2.964 364 C HA 0.342 4.803 4.460 0.001 0.000 0.358 364 C C 0.932 175.797 174.990 -0.208 0.000 1.289 364 C CA -0.264 58.659 59.018 -0.159 0.000 1.856 364 C CB -0.505 27.119 27.740 -0.192 0.000 2.488 364 C HN 0.848 nan 8.230 nan 0.000 0.604 365 K N 0.543 120.778 120.400 -0.276 0.000 2.495 365 K HA 0.750 5.071 4.320 0.001 0.000 0.268 365 K C -0.997 175.586 176.600 -0.029 0.000 1.008 365 K CA -0.303 55.780 56.287 -0.340 0.000 0.882 365 K CB 2.192 33.988 32.500 -1.173 0.000 1.443 365 K HN 0.284 nan 8.250 nan 0.000 0.447 366 M N 0.224 120.033 119.600 0.348 0.000 2.660 366 M HA 0.541 5.021 4.480 0.001 0.000 0.281 366 M C -2.006 174.709 176.300 0.692 0.000 1.131 366 M CA -0.871 54.717 55.300 0.479 0.000 0.858 366 M CB 1.620 34.317 32.600 0.162 0.000 1.732 366 M HN 0.639 nan 8.290 nan 0.000 0.516 367 F N 1.775 121.953 119.950 0.379 0.000 2.662 367 F HA 0.948 5.476 4.527 0.001 0.000 0.312 367 F C -1.684 174.238 175.800 0.203 0.000 1.113 367 F CA -0.984 57.188 58.000 0.287 0.000 0.951 367 F CB 1.395 40.489 39.000 0.157 0.000 1.344 367 F HN 0.834 nan 8.300 nan 0.000 0.462 368 I N -0.162 120.711 120.570 0.504 0.000 3.191 368 I HA 0.578 4.749 4.170 0.001 0.000 0.313 368 I C -1.246 175.122 176.117 0.419 0.000 1.193 368 I CA -1.407 60.100 61.300 0.346 0.000 0.968 368 I CB 2.196 40.325 38.000 0.214 0.000 1.262 368 I HN 0.493 nan 8.210 nan 0.000 0.456 369 I N 2.070 122.857 120.570 0.361 0.000 2.496 369 I HA 0.098 4.268 4.170 0.001 0.000 0.285 369 I C 0.515 176.754 176.117 0.203 0.000 1.080 369 I CA 0.523 61.987 61.300 0.274 0.000 1.404 369 I CB 0.716 38.870 38.000 0.257 0.000 1.403 369 I HN 0.844 nan 8.210 nan 0.000 0.539 370 D N 4.411 124.903 120.400 0.154 0.000 2.197 370 D HA 0.002 4.642 4.640 0.001 0.000 0.212 370 D C 0.242 176.612 176.300 0.117 0.000 0.963 370 D CA 1.123 55.204 54.000 0.135 0.000 0.864 370 D CB 0.575 41.429 40.800 0.090 0.000 1.009 370 D HN 0.674 nan 8.370 nan 0.000 0.479 371 K N -1.628 118.832 120.400 0.100 0.000 2.625 371 K HA 0.513 4.833 4.320 0.001 0.000 0.284 371 K C -2.075 174.578 176.600 0.089 0.000 0.984 371 K CA -0.955 55.387 56.287 0.092 0.000 0.865 371 K CB 1.679 34.228 32.500 0.081 0.000 1.468 371 K HN -0.196 nan 8.250 nan 0.000 0.407 372 V N 1.421 121.388 119.914 0.087 0.000 2.623 372 V HA 0.527 4.647 4.120 0.001 0.000 0.304 372 V C -1.541 174.601 176.094 0.080 0.000 1.054 372 V CA -0.404 61.946 62.300 0.082 0.000 0.882 372 V CB 1.778 33.643 31.823 0.071 0.000 1.002 372 V HN 0.897 nan 8.190 nan 0.000 0.424 373 D N 3.145 123.600 120.400 0.092 0.000 2.328 373 D HA 0.533 5.173 4.640 0.001 0.000 0.243 373 D C 0.603 176.907 176.300 0.008 0.000 1.324 373 D CA 1.035 55.083 54.000 0.079 0.000 0.966 373 D CB 1.390 42.276 40.800 0.142 0.000 1.324 373 D HN 0.881 nan 8.370 nan 0.000 0.549 374 G N 4.076 112.852 108.800 -0.041 0.000 2.596 374 G HA2 -0.353 3.607 3.960 0.001 0.000 0.304 374 G HA3 -0.353 3.607 3.960 0.001 0.000 0.304 374 G C 0.736 175.535 174.900 -0.169 0.000 1.189 374 G CA 0.534 45.559 45.100 -0.124 0.000 0.986 374 G HN 0.511 nan 8.290 nan 0.000 0.548 375 D N 0.810 120.999 120.400 -0.352 0.000 2.363 375 D HA 0.167 4.808 4.640 0.001 0.000 0.220 375 D C 0.620 176.815 176.300 -0.175 0.000 0.994 375 D CA 0.621 54.436 54.000 -0.309 0.000 0.890 375 D CB -0.021 40.540 40.800 -0.397 0.000 0.906 375 D HN 0.129 nan 8.370 nan 0.000 0.530 376 F N 0.773 120.717 119.950 -0.010 0.000 2.404 376 F HA 0.340 4.867 4.527 0.001 0.000 0.339 376 F C 0.586 176.379 175.800 -0.011 0.000 1.105 376 F CA -1.728 56.264 58.000 -0.012 0.000 1.087 376 F CB 1.186 40.182 39.000 -0.007 0.000 1.143 376 F HN -0.196 nan 8.300 nan 0.000 0.491 377 C N 2.623 122.038 119.300 0.192 0.000 2.985 377 C HA 0.816 5.276 4.460 0.001 0.000 0.332 377 C C -0.950 174.064 174.990 0.041 0.000 1.164 377 C CA -0.360 58.712 59.018 0.089 0.000 1.347 377 C CB 0.845 28.611 27.740 0.044 0.000 1.764 377 C HN 1.021 nan 8.230 nan 0.000 0.489 378 S N 5.441 121.158 115.700 0.029 0.000 2.541 378 S HA 0.831 5.302 4.470 0.001 0.000 0.280 378 S C -1.255 173.347 174.600 0.004 0.000 1.112 378 S CA -0.686 57.511 58.200 -0.004 0.000 0.925 378 S CB 1.114 64.313 63.200 -0.002 0.000 1.067 378 S HN 0.868 nan 8.310 nan 0.000 0.479 379 L N 1.869 123.066 121.223 -0.043 0.000 2.331 379 L HA 0.603 4.943 4.340 0.001 0.000 0.268 379 L C 0.249 177.104 176.870 -0.024 0.000 1.015 379 L CA -0.896 53.931 54.840 -0.022 0.000 0.807 379 L CB 1.418 43.364 42.059 -0.188 0.000 1.293 379 L HN 0.890 nan 8.230 nan 0.000 0.451 380 N N 0.333 119.053 118.700 0.033 0.000 2.851 380 N HA 0.178 4.918 4.740 0.001 0.000 0.248 380 N C -1.057 174.332 175.510 -0.202 0.000 1.221 380 N CA -0.347 52.629 53.050 -0.124 0.000 0.847 380 N CB 0.607 39.083 38.487 -0.019 0.000 1.150 380 N HN 0.581 nan 8.380 nan 0.000 0.507 381 E N 1.545 121.621 120.200 -0.206 0.000 2.354 381 E HA 0.219 4.569 4.350 0.001 0.000 0.269 381 E C -0.881 175.525 176.600 -0.323 0.000 1.036 381 E CA 0.159 56.558 56.400 -0.001 0.000 0.876 381 E CB 1.018 30.786 29.700 0.114 0.000 1.009 381 E HN 0.300 nan 8.360 nan 0.000 0.416 382 F N -0.041 119.979 119.950 0.115 0.000 2.640 382 F HA 0.457 4.984 4.527 0.001 0.000 0.324 382 F C 0.177 175.976 175.800 -0.001 0.000 1.077 382 F CA -0.838 57.168 58.000 0.009 0.000 0.965 382 F CB 2.033 40.999 39.000 -0.057 0.000 1.351 382 F HN 0.233 nan 8.300 nan 0.000 0.487 383 S N 1.562 117.362 115.700 0.167 0.000 2.599 383 S HA 0.812 5.282 4.470 0.001 0.000 0.294 383 S C -1.416 173.200 174.600 0.026 0.000 1.094 383 S CA -0.595 57.624 58.200 0.032 0.000 0.931 383 S CB 1.850 65.044 63.200 -0.010 0.000 1.093 383 S HN 0.284 nan 8.310 nan 0.000 0.488 384 I N 2.141 122.694 120.570 -0.028 0.000 2.647 384 I HA 0.415 4.585 4.170 0.001 0.000 0.295 384 I C 0.248 176.335 176.117 -0.050 0.000 1.078 384 I CA -0.663 60.614 61.300 -0.037 0.000 1.048 384 I CB 1.548 39.516 38.000 -0.053 0.000 1.239 384 I HN 0.722 nan 8.210 nan 0.000 0.421 385 T N 0.205 114.732 114.554 -0.044 0.000 2.929 385 T HA 0.839 5.189 4.350 0.001 0.000 0.284 385 T C 0.189 174.854 174.700 -0.058 0.000 1.014 385 T CA -0.595 61.476 62.100 -0.049 0.000 1.051 385 T CB 1.883 70.730 68.868 -0.036 0.000 1.028 385 T HN 1.413 nan 8.240 nan 0.000 0.485 386 G N 0.733 109.495 108.800 -0.064 0.000 3.444 386 G HA2 0.158 4.119 3.960 0.001 0.000 0.685 386 G HA3 0.158 4.119 3.960 0.001 0.000 0.685 386 G C 0.139 174.981 174.900 -0.097 0.000 1.145 386 G CA -0.199 44.856 45.100 -0.075 0.000 0.973 386 G HN 1.623 nan 8.290 nan 0.000 0.525 387 S N -0.247 115.390 115.700 -0.105 0.000 2.572 387 S HA 0.509 4.979 4.470 0.001 0.000 0.228 387 S C 1.038 175.518 174.600 -0.199 0.000 0.963 387 S CA 0.950 59.068 58.200 -0.137 0.000 0.939 387 S CB 0.251 63.385 63.200 -0.111 0.000 0.804 387 S HN 1.950 nan 8.310 nan 0.000 0.480 388 T N -1.763 112.680 114.554 -0.185 0.000 2.950 388 T HA 0.546 4.897 4.350 0.001 0.000 0.288 388 T C 0.202 174.760 174.700 -0.236 0.000 1.035 388 T CA -0.713 61.251 62.100 -0.225 0.000 1.028 388 T CB 0.550 69.354 68.868 -0.107 0.000 1.109 388 T HN 0.034 nan 8.240 nan 0.000 0.514 389 Y N 0.676 120.937 120.300 -0.065 0.000 2.571 389 Y HA 0.340 4.890 4.550 0.001 0.000 0.294 389 Y C 1.919 177.680 175.900 -0.231 0.000 1.141 389 Y CA -0.041 58.007 58.100 -0.086 0.000 1.308 389 Y CB -1.064 37.392 38.460 -0.008 0.000 1.002 389 Y HN 0.876 nan 8.280 nan 0.000 0.551 390 A N 2.218 124.892 122.820 -0.243 0.000 2.498 390 A HA 0.112 4.433 4.320 0.001 0.000 0.239 390 A C -1.384 175.990 177.584 -0.350 0.000 1.068 390 A CA -0.977 50.682 52.037 -0.630 0.000 0.766 390 A CB -0.145 18.578 19.000 -0.463 0.000 1.003 390 A HN 0.120 nan 8.150 nan 0.000 0.497 391 P HA 0.006 nan 4.420 nan 0.000 0.269 391 P C -0.466 176.764 177.300 -0.118 0.000 1.461 391 P CA 0.496 63.497 63.100 -0.165 0.000 0.809 391 P CB -0.265 31.365 31.700 -0.117 0.000 1.503 392 E N 0.653 120.777 120.200 -0.127 0.000 2.081 392 E HA 0.559 4.909 4.350 0.001 0.000 0.281 392 E C 0.685 177.245 176.600 -0.066 0.000 0.986 392 E CA -0.524 55.831 56.400 -0.076 0.000 0.796 392 E CB 0.950 30.614 29.700 -0.059 0.000 1.085 392 E HN 0.179 nan 8.360 nan 0.000 0.398 393 G N 2.699 111.469 108.800 -0.051 0.000 2.320 393 G HA2 0.263 4.223 3.960 0.001 0.000 0.297 393 G HA3 0.263 4.223 3.960 0.001 0.000 0.297 393 G C -1.749 173.128 174.900 -0.038 0.000 1.344 393 G CA -0.900 44.172 45.100 -0.046 0.000 0.851 393 G HN 0.500 nan 8.290 nan 0.000 0.567 394 E N -1.360 118.821 120.200 -0.032 0.000 2.392 394 E HA 0.614 4.964 4.350 0.001 0.000 0.279 394 E C -1.112 175.478 176.600 -0.016 0.000 0.964 394 E CA -1.042 55.344 56.400 -0.023 0.000 0.777 394 E CB 2.037 31.731 29.700 -0.009 0.000 1.249 394 E HN 0.505 nan 8.360 nan 0.000 0.449 395 V N 2.027 121.932 119.914 -0.015 0.000 2.953 395 V HA 0.483 4.603 4.120 0.001 0.000 0.304 395 V C 0.140 176.276 176.094 0.070 0.000 1.073 395 V CA -0.225 62.078 62.300 0.005 0.000 1.064 395 V CB 0.472 32.255 31.823 -0.067 0.000 1.047 395 V HN 0.558 nan 8.190 nan 0.000 0.478 396 L N 2.020 123.324 121.223 0.136 0.000 2.540 396 L HA 0.673 5.013 4.340 0.001 0.000 0.256 396 L C -0.849 176.117 176.870 0.159 0.000 1.001 396 L CA -0.843 54.077 54.840 0.132 0.000 0.843 396 L CB 2.145 44.241 42.059 0.061 0.000 1.436 396 L HN 0.491 nan 8.230 nan 0.000 0.410 397 K N 1.066 121.513 120.400 0.079 0.000 2.471 397 K HA 0.437 4.758 4.320 0.001 0.000 0.252 397 K C -0.428 176.151 176.600 -0.036 0.000 0.938 397 K CA -0.497 55.752 56.287 -0.063 0.000 0.796 397 K CB 1.291 33.684 32.500 -0.178 0.000 1.161 397 K HN 0.796 nan 8.250 nan 0.000 0.425 398 N N 3.829 122.496 118.700 -0.055 0.000 2.725 398 N HA -0.222 4.518 4.740 0.001 0.000 0.249 398 N C -1.023 174.480 175.510 -0.011 0.000 1.103 398 N CA 0.810 53.841 53.050 -0.032 0.000 0.707 398 N CB -0.632 37.837 38.487 -0.030 0.000 1.043 398 N HN 0.920 nan 8.380 nan 0.000 0.553 399 D N -1.923 118.474 120.400 -0.005 0.000 3.028 399 D HA -0.177 4.463 4.640 0.001 0.000 0.207 399 D C 0.075 176.383 176.300 0.014 0.000 1.100 399 D CA 1.207 55.208 54.000 0.003 0.000 0.995 399 D CB -0.513 40.285 40.800 -0.004 0.000 1.108 399 D HN 0.561 nan 8.370 nan 0.000 0.421 400 K N 1.506 121.921 120.400 0.025 0.000 2.265 400 K HA 0.306 4.626 4.320 0.001 0.000 0.267 400 K C -2.583 174.054 176.600 0.062 0.000 0.994 400 K CA -1.646 54.664 56.287 0.038 0.000 0.860 400 K CB 1.829 34.352 32.500 0.039 0.000 1.099 400 K HN -0.213 nan 8.250 nan 0.000 0.448 401 P HA -0.026 nan 4.420 nan 0.000 0.266 401 P C -0.391 176.964 177.300 0.091 0.000 1.215 401 P CA -0.091 63.047 63.100 0.064 0.000 0.763 401 P CB 0.353 32.076 31.700 0.039 0.000 0.806 402 I N 1.286 121.935 120.570 0.132 0.000 3.264 402 I HA 0.601 4.771 4.170 0.001 0.000 0.309 402 I C -0.399 175.806 176.117 0.147 0.000 1.099 402 I CA -1.936 59.472 61.300 0.180 0.000 0.989 402 I CB 1.602 39.805 38.000 0.339 0.000 1.250 402 I HN 0.241 nan 8.210 nan 0.000 0.478 403 R N 1.387 121.988 120.500 0.168 0.000 2.198 403 R HA 0.368 4.708 4.340 0.001 0.000 0.339 403 R C 0.467 176.859 176.300 0.154 0.000 1.020 403 R CA -0.096 56.065 56.100 0.103 0.000 0.864 403 R CB 1.115 31.451 30.300 0.059 0.000 1.105 403 R HN 0.865 nan 8.270 nan 0.000 0.463 404 S N 2.850 118.576 115.700 0.043 0.000 2.359 404 S HA -0.161 4.310 4.470 0.001 0.000 0.224 404 S C 1.821 176.444 174.600 0.038 0.000 1.035 404 S CA 1.716 59.904 58.200 -0.020 0.000 1.018 404 S CB -0.211 62.886 63.200 -0.172 0.000 0.876 404 S HN 0.897 nan 8.310 nan 0.000 0.448 405 G N 0.595 109.369 108.800 -0.043 0.000 2.516 405 G HA2 -0.283 3.678 3.960 0.001 0.000 0.221 405 G HA3 -0.283 3.678 3.960 0.001 0.000 0.221 405 G C 1.108 175.993 174.900 -0.026 0.000 1.107 405 G CA 0.856 45.910 45.100 -0.076 0.000 0.747 405 G HN 0.566 nan 8.290 nan 0.000 0.567 406 Q N -0.857 118.938 119.800 -0.008 0.000 2.482 406 Q HA 0.154 4.494 4.340 0.001 0.000 0.209 406 Q C -0.572 175.199 176.000 -0.381 0.000 0.961 406 Q CA -0.064 55.635 55.803 -0.174 0.000 0.945 406 Q CB -0.034 28.566 28.738 -0.230 0.000 1.012 406 Q HN 0.398 nan 8.270 nan 0.000 0.515 407 F N 0.093 120.036 119.950 -0.011 0.000 2.496 407 F HA 0.241 4.768 4.527 0.001 0.000 0.341 407 F C 0.463 176.249 175.800 -0.022 0.000 1.134 407 F CA -1.090 56.921 58.000 0.018 0.000 0.968 407 F CB 1.553 40.590 39.000 0.062 0.000 1.205 407 F HN -0.093 nan 8.300 nan 0.000 0.436 408 D N 2.474 122.949 120.400 0.124 0.000 2.116 408 D HA -0.173 4.468 4.640 0.001 0.000 0.193 408 D C 2.275 178.612 176.300 0.062 0.000 0.998 408 D CA 1.753 55.794 54.000 0.070 0.000 0.836 408 D CB -0.229 40.608 40.800 0.062 0.000 0.951 408 D HN 0.805 nan 8.370 nan 0.000 0.449 409 G N 1.218 110.085 108.800 0.112 0.000 2.469 409 G HA2 -0.238 3.723 3.960 0.001 0.000 0.219 409 G HA3 -0.238 3.723 3.960 0.001 0.000 0.219 409 G C 1.802 176.697 174.900 -0.009 0.000 1.150 409 G CA 0.415 45.557 45.100 0.069 0.000 0.763 409 G HN 0.264 nan 8.290 nan 0.000 0.561 410 L N 0.179 121.395 121.223 -0.012 0.000 2.141 410 L HA -0.054 4.286 4.340 0.001 0.000 0.209 410 L C 2.967 179.730 176.870 -0.178 0.000 1.094 410 L CA 0.303 55.056 54.840 -0.144 0.000 0.763 410 L CB -0.459 41.459 42.059 -0.235 0.000 0.908 410 L HN 0.109 nan 8.230 nan 0.000 0.437 411 V N 0.114 119.937 119.914 -0.153 0.000 2.343 411 V HA -0.296 3.825 4.120 0.001 0.000 0.247 411 V C 2.479 178.453 176.094 -0.201 0.000 1.051 411 V CA 2.002 64.156 62.300 -0.242 0.000 1.036 411 V CB -0.346 31.363 31.823 -0.189 0.000 0.654 411 V HN 0.494 nan 8.190 nan 0.000 0.451 412 E N -0.319 119.798 120.200 -0.139 0.000 2.106 412 E HA -0.195 4.156 4.350 0.001 0.000 0.192 412 E C 2.271 178.732 176.600 -0.231 0.000 0.984 412 E CA 0.870 57.169 56.400 -0.167 0.000 0.806 412 E CB -0.107 29.532 29.700 -0.103 0.000 0.750 412 E HN 0.399 nan 8.360 nan 0.000 0.458 413 L N 1.115 122.218 121.223 -0.199 0.000 2.013 413 L HA -0.191 4.149 4.340 0.001 0.000 0.212 413 L C 2.263 179.000 176.870 -0.222 0.000 1.073 413 L CA 2.488 57.201 54.840 -0.211 0.000 0.753 413 L CB -1.415 40.528 42.059 -0.193 0.000 0.890 413 L HN 0.208 nan 8.230 nan 0.000 0.432 414 A N -1.225 121.460 122.820 -0.225 0.000 1.969 414 A HA -0.150 4.170 4.320 0.001 0.000 0.218 414 A C 2.170 179.623 177.584 -0.217 0.000 1.169 414 A CA 1.884 53.794 52.037 -0.213 0.000 0.635 414 A CB -0.875 17.984 19.000 -0.236 0.000 0.810 414 A HN 0.548 nan 8.150 nan 0.000 0.445 415 T N 0.749 115.144 114.554 -0.265 0.000 2.622 415 T HA -0.156 4.194 4.350 0.001 0.000 0.266 415 T C 1.819 176.255 174.700 -0.439 0.000 1.047 415 T CA 1.654 63.559 62.100 -0.326 0.000 1.159 415 T CB -0.501 68.113 68.868 -0.423 0.000 0.863 415 T HN 0.434 nan 8.240 nan 0.000 0.422 416 I N 0.997 121.248 120.570 -0.532 0.000 2.118 416 I HA -0.257 3.913 4.170 0.001 0.000 0.241 416 I C 2.790 178.784 176.117 -0.204 0.000 1.070 416 I CA 1.154 62.197 61.300 -0.429 0.000 1.327 416 I CB -0.690 37.131 38.000 -0.299 0.000 1.034 416 I HN 0.343 nan 8.210 nan 0.000 0.405 417 C N 0.761 119.959 119.300 -0.170 0.000 2.411 417 C HA -0.161 4.300 4.460 0.001 0.000 0.279 417 C C 3.163 178.104 174.990 -0.081 0.000 1.288 417 C CA 0.897 59.852 59.018 -0.104 0.000 1.764 417 C CB -1.414 26.264 27.740 -0.103 0.000 1.974 417 C HN 0.627 nan 8.230 nan 0.000 0.498 418 A N 0.155 122.913 122.820 -0.103 0.000 1.872 418 A HA 0.008 4.328 4.320 0.001 0.000 0.214 418 A C 2.096 179.660 177.584 -0.032 0.000 1.187 418 A CA 1.285 53.285 52.037 -0.062 0.000 0.614 418 A CB -0.459 18.503 19.000 -0.062 0.000 0.826 418 A HN 0.568 nan 8.150 nan 0.000 0.442 419 L N -1.289 119.909 121.223 -0.042 0.000 2.102 419 L HA -0.033 4.307 4.340 0.001 0.000 0.202 419 L C 1.719 178.628 176.870 0.065 0.000 1.076 419 L CA 0.441 55.303 54.840 0.037 0.000 0.761 419 L CB -0.374 41.757 42.059 0.121 0.000 0.921 419 L HN 0.441 nan 8.230 nan 0.000 0.444 420 C N 2.653 121.989 119.300 0.060 0.000 3.424 420 C HA 0.206 4.666 4.460 0.001 0.000 0.577 420 C C 0.272 175.288 174.990 0.044 0.000 1.086 420 C CA -0.282 58.782 59.018 0.077 0.000 1.153 420 C CB -2.537 25.257 27.740 0.089 0.000 1.411 420 C HN 0.351 nan 8.230 nan 0.000 0.636 421 N N 1.252 119.975 118.700 0.039 0.000 2.406 421 N HA 0.216 4.956 4.740 0.001 0.000 0.283 421 N C -0.713 174.814 175.510 0.028 0.000 1.074 421 N CA -0.224 52.840 53.050 0.024 0.000 0.916 421 N CB 1.610 40.100 38.487 0.004 0.000 1.639 421 N HN 0.305 nan 8.380 nan 0.000 0.485 422 D N 0.519 120.934 120.400 0.025 0.000 2.368 422 D HA 0.253 4.893 4.640 0.001 0.000 0.218 422 D C -0.277 176.028 176.300 0.009 0.000 1.112 422 D CA 0.435 54.451 54.000 0.026 0.000 0.834 422 D CB 0.585 41.408 40.800 0.038 0.000 0.953 422 D HN 0.305 nan 8.370 nan 0.000 0.505 423 S N -0.882 114.815 115.700 -0.004 0.000 2.751 423 S HA 0.783 5.253 4.470 0.001 0.000 0.310 423 S C 0.045 174.633 174.600 -0.019 0.000 1.128 423 S CA -0.632 57.555 58.200 -0.022 0.000 0.931 423 S CB 2.223 65.394 63.200 -0.048 0.000 1.177 423 S HN 0.190 nan 8.310 nan 0.000 0.530 424 S N -0.433 115.250 115.700 -0.029 0.000 2.790 424 S HA 0.751 5.221 4.470 0.001 0.000 0.292 424 S C -1.782 172.810 174.600 -0.014 0.000 1.197 424 S CA -0.892 57.302 58.200 -0.011 0.000 0.851 424 S CB 0.303 63.508 63.200 0.008 0.000 1.217 424 S HN 0.496 nan 8.310 nan 0.000 0.526 425 L N 0.803 122.047 121.223 0.034 0.000 2.354 425 L HA 0.781 5.121 4.340 0.001 0.000 0.269 425 L C -1.441 175.507 176.870 0.130 0.000 1.005 425 L CA -0.518 54.378 54.840 0.093 0.000 0.819 425 L CB 1.915 44.066 42.059 0.153 0.000 1.311 425 L HN 0.900 nan 8.230 nan 0.000 0.423 426 D N 0.628 121.126 120.400 0.163 0.000 2.934 426 D HA 0.270 4.910 4.640 0.001 0.000 0.230 426 D C -1.481 174.852 176.300 0.054 0.000 1.204 426 D CA -0.383 53.680 54.000 0.105 0.000 0.873 426 D CB 1.730 42.552 40.800 0.036 0.000 1.645 426 D HN 0.223 nan 8.370 nan 0.000 0.502 427 F N 4.359 124.172 119.950 -0.229 0.000 2.406 427 F HA 0.342 4.869 4.527 0.001 0.000 0.358 427 F C 0.176 175.819 175.800 -0.263 0.000 1.161 427 F CA -0.806 56.893 58.000 -0.502 0.000 1.185 427 F CB -0.030 38.645 39.000 -0.541 0.000 1.421 427 F HN 0.271 nan 8.300 nan 0.000 0.576 428 N N 4.630 123.001 118.700 -0.547 0.000 2.438 428 N HA -0.063 4.678 4.740 0.001 0.000 0.267 428 N C 0.962 176.103 175.510 -0.615 0.000 1.222 428 N CA 0.328 53.129 53.050 -0.415 0.000 0.930 428 N CB 0.661 38.994 38.487 -0.256 0.000 1.083 428 N HN 0.615 nan 8.380 nan 0.000 0.476 429 E N 2.439 122.406 120.200 -0.387 0.000 2.152 429 E HA -0.076 4.275 4.350 0.001 0.000 0.192 429 E C 1.203 177.681 176.600 -0.203 0.000 0.983 429 E CA 1.031 57.254 56.400 -0.295 0.000 0.818 429 E CB -0.170 29.471 29.700 -0.098 0.000 0.758 429 E HN 0.640 nan 8.360 nan 0.000 0.467 430 T N 1.365 115.823 114.554 -0.159 0.000 2.803 430 T HA -0.125 4.226 4.350 0.001 0.000 0.269 430 T C 1.574 176.208 174.700 -0.110 0.000 1.052 430 T CA 1.425 63.462 62.100 -0.104 0.000 1.136 430 T CB 0.047 68.868 68.868 -0.079 0.000 0.864 430 T HN -0.008 nan 8.240 nan 0.000 0.467 431 K N -0.439 119.866 120.400 -0.159 0.000 2.367 431 K HA 0.404 4.725 4.320 0.001 0.000 0.195 431 K C 1.528 178.030 176.600 -0.163 0.000 1.060 431 K CA 0.559 56.768 56.287 -0.130 0.000 1.022 431 K CB 0.266 32.701 32.500 -0.108 0.000 0.894 431 K HN 0.261 nan 8.250 nan 0.000 0.540 432 G N 0.658 109.277 108.800 -0.302 0.000 2.184 432 G HA2 -0.295 3.666 3.960 0.001 0.000 0.264 432 G HA3 -0.295 3.666 3.960 0.001 0.000 0.264 432 G C 0.519 175.206 174.900 -0.355 0.000 0.975 432 G CA 0.654 45.569 45.100 -0.309 0.000 0.642 432 G HN 0.239 nan 8.290 nan 0.000 0.536 433 V N -3.918 115.774 119.914 -0.371 0.000 5.546 433 V HA 0.969 5.089 4.120 0.001 0.000 0.279 433 V C 0.238 176.193 176.094 -0.232 0.000 1.521 433 V CA -1.548 60.705 62.300 -0.078 0.000 0.732 433 V CB 0.577 32.454 31.823 0.090 0.000 1.397 433 V HN 0.357 nan 8.190 nan 0.000 0.420 434 Y N -0.493 119.819 120.300 0.020 0.000 2.536 434 Y HA 0.764 5.315 4.550 0.001 0.000 0.347 434 Y C -0.067 175.878 175.900 0.075 0.000 1.000 434 Y CA -0.758 57.390 58.100 0.081 0.000 1.051 434 Y CB 1.926 40.500 38.460 0.190 0.000 1.259 434 Y HN 0.609 nan 8.280 nan 0.000 0.468 435 E N 1.566 121.876 120.200 0.183 0.000 2.272 435 E HA 0.281 4.632 4.350 0.001 0.000 0.269 435 E C -1.304 175.287 176.600 -0.016 0.000 0.877 435 E CA -1.287 55.166 56.400 0.089 0.000 0.755 435 E CB 2.196 31.906 29.700 0.016 0.000 1.192 435 E HN 0.534 nan 8.360 nan 0.000 0.422 436 K N 0.479 120.767 120.400 -0.187 0.000 2.412 436 K HA 0.185 4.506 4.320 0.001 0.000 0.281 436 K C -0.390 176.100 176.600 -0.183 0.000 1.027 436 K CA -0.292 55.753 56.287 -0.403 0.000 0.989 436 K CB 0.576 32.656 32.500 -0.701 0.000 0.935 436 K HN 0.103 nan 8.250 nan 0.000 0.475 437 V N 3.585 123.415 119.914 -0.140 0.000 2.192 437 V HA 0.439 4.560 4.120 0.001 0.000 0.264 437 V C 0.646 176.697 176.094 -0.072 0.000 1.155 437 V CA 0.309 62.565 62.300 -0.072 0.000 1.005 437 V CB -0.566 31.236 31.823 -0.034 0.000 1.201 437 V HN 1.134 nan 8.190 nan 0.000 0.468 438 G N 3.168 111.921 108.800 -0.078 0.000 2.260 438 G HA2 0.060 4.020 3.960 0.001 0.000 0.250 438 G HA3 0.060 4.020 3.960 0.001 0.000 0.250 438 G C -0.717 174.140 174.900 -0.071 0.000 1.340 438 G CA -0.575 44.490 45.100 -0.059 0.000 1.056 438 G HN 0.558 nan 8.290 nan 0.000 0.471 439 E N 0.721 120.887 120.200 -0.057 0.000 2.392 439 E HA 0.605 4.956 4.350 0.001 0.000 0.264 439 E C 1.448 178.008 176.600 -0.067 0.000 1.024 439 E CA 1.026 57.395 56.400 -0.052 0.000 0.903 439 E CB 1.177 30.847 29.700 -0.049 0.000 0.963 439 E HN 1.297 nan 8.360 nan 0.000 0.432 440 A N 3.341 126.143 122.820 -0.031 0.000 1.933 440 A HA -0.171 4.149 4.320 0.001 0.000 0.218 440 A C 2.056 179.680 177.584 0.067 0.000 1.175 440 A CA 2.120 54.174 52.037 0.029 0.000 0.628 440 A CB -0.785 18.282 19.000 0.112 0.000 0.814 440 A HN 0.744 nan 8.150 nan 0.000 0.444 441 T N -0.193 114.374 114.554 0.022 0.000 2.777 441 T HA -0.106 4.245 4.350 0.001 0.000 0.266 441 T C 1.785 176.489 174.700 0.006 0.000 1.040 441 T CA 1.529 63.639 62.100 0.017 0.000 1.141 441 T CB -0.209 68.644 68.868 -0.024 0.000 0.868 441 T HN 0.635 nan 8.240 nan 0.000 0.444 442 E N 0.661 120.849 120.200 -0.021 0.000 2.072 442 E HA -0.092 4.259 4.350 0.001 0.000 0.191 442 E C 2.447 179.034 176.600 -0.023 0.000 0.985 442 E CA 1.319 57.705 56.400 -0.023 0.000 0.801 442 E CB -0.226 29.457 29.700 -0.029 0.000 0.750 442 E HN 0.390 nan 8.360 nan 0.000 0.452 443 T N 1.169 115.689 114.554 -0.056 0.000 2.759 443 T HA -0.182 4.168 4.350 0.001 0.000 0.269 443 T C 1.991 176.707 174.700 0.026 0.000 1.042 443 T CA 1.156 63.199 62.100 -0.096 0.000 1.140 443 T CB -0.223 68.433 68.868 -0.354 0.000 0.864 443 T HN 0.239 nan 8.240 nan 0.000 0.455 444 A N 1.304 124.195 122.820 0.118 0.000 1.940 444 A HA -0.038 4.282 4.320 0.001 0.000 0.219 444 A C 2.150 179.768 177.584 0.056 0.000 1.176 444 A CA 1.181 53.312 52.037 0.156 0.000 0.631 444 A CB -0.689 18.387 19.000 0.126 0.000 0.814 444 A HN 0.333 nan 8.150 nan 0.000 0.446 445 L N -0.200 121.036 121.223 0.021 0.000 2.017 445 L HA -0.114 4.226 4.340 0.001 0.000 0.208 445 L C 2.741 179.601 176.870 -0.017 0.000 1.073 445 L CA 2.406 57.239 54.840 -0.011 0.000 0.745 445 L CB -1.627 40.420 42.059 -0.020 0.000 0.894 445 L HN 0.388 nan 8.230 nan 0.000 0.432 446 T N -1.154 113.394 114.554 -0.009 0.000 2.665 446 T HA -0.229 4.122 4.350 0.001 0.000 0.268 446 T C 1.839 176.535 174.700 -0.006 0.000 1.035 446 T CA 2.085 64.179 62.100 -0.010 0.000 1.151 446 T CB -0.479 68.384 68.868 -0.008 0.000 0.862 446 T HN 0.345 nan 8.240 nan 0.000 0.438 447 T N 2.283 116.846 114.554 0.015 0.000 2.684 447 T HA -0.066 4.284 4.350 0.001 0.000 0.267 447 T C 1.911 176.595 174.700 -0.027 0.000 1.036 447 T CA 1.073 63.175 62.100 0.005 0.000 1.148 447 T CB -0.553 68.347 68.868 0.053 0.000 0.863 447 T HN 0.140 nan 8.240 nan 0.000 0.436 448 L N 1.458 122.664 121.223 -0.029 0.000 2.013 448 L HA -0.079 4.261 4.340 0.001 0.000 0.212 448 L C 2.428 179.253 176.870 -0.074 0.000 1.073 448 L CA 1.557 56.364 54.840 -0.056 0.000 0.753 448 L CB -0.857 41.167 42.059 -0.057 0.000 0.890 448 L HN 0.089 nan 8.230 nan 0.000 0.432 449 V N -0.089 119.784 119.914 -0.069 0.000 2.392 449 V HA -0.253 3.868 4.120 0.001 0.000 0.249 449 V C 2.663 178.715 176.094 -0.070 0.000 1.059 449 V CA 1.850 64.101 62.300 -0.081 0.000 1.051 449 V CB -0.705 31.079 31.823 -0.065 0.000 0.658 449 V HN 0.491 nan 8.190 nan 0.000 0.455 450 E N 0.264 120.434 120.200 -0.051 0.000 2.047 450 E HA -0.168 4.182 4.350 0.001 0.000 0.191 450 E C 2.252 178.820 176.600 -0.054 0.000 0.987 450 E CA 1.052 57.426 56.400 -0.042 0.000 0.799 450 E CB -0.249 29.430 29.700 -0.035 0.000 0.752 450 E HN 0.598 nan 8.360 nan 0.000 0.449 451 K N 0.176 120.538 120.400 -0.063 0.000 2.148 451 K HA -0.001 4.319 4.320 0.001 0.000 0.204 451 K C 2.280 178.835 176.600 -0.076 0.000 1.050 451 K CA 1.034 57.282 56.287 -0.065 0.000 0.942 451 K CB -0.111 32.349 32.500 -0.067 0.000 0.724 451 K HN 0.098 nan 8.250 nan 0.000 0.446 452 M N 0.492 120.033 119.600 -0.099 0.000 2.132 452 M HA -0.105 4.376 4.480 0.001 0.000 0.263 452 M C 0.550 176.777 176.300 -0.122 0.000 1.065 452 M CA 0.565 55.786 55.300 -0.132 0.000 1.122 452 M CB -0.372 32.124 32.600 -0.173 0.000 1.365 452 M HN 0.165 nan 8.290 nan 0.000 0.411 453 N N 1.443 120.077 118.700 -0.109 0.000 2.669 453 N HA -0.130 4.610 4.740 0.001 0.000 0.266 453 N C 0.481 175.904 175.510 -0.146 0.000 1.024 453 N CA 0.570 53.566 53.050 -0.091 0.000 0.766 453 N CB -0.351 38.109 38.487 -0.045 0.000 0.898 453 N HN 0.345 nan 8.380 nan 0.000 0.548 454 V N -2.052 117.689 119.914 -0.288 0.000 2.568 454 V HA -0.110 4.011 4.120 0.001 0.000 0.253 454 V C 1.101 176.878 176.094 -0.529 0.000 1.072 454 V CA 1.490 63.496 62.300 -0.490 0.000 1.084 454 V CB -0.648 30.698 31.823 -0.795 0.000 0.676 454 V HN 0.281 nan 8.190 nan 0.000 0.469 455 F N 1.546 121.480 119.950 -0.026 0.000 2.664 455 F HA 0.500 5.028 4.527 0.001 0.000 0.322 455 F C 0.605 176.395 175.800 -0.016 0.000 1.324 455 F CA -1.902 56.086 58.000 -0.020 0.000 1.154 455 F CB -1.074 37.913 39.000 -0.021 0.000 1.236 455 F HN 0.072 nan 8.300 nan 0.000 0.532 456 N N 1.958 120.721 118.700 0.104 0.000 3.044 456 N HA -0.174 4.567 4.740 0.001 0.000 0.308 456 N C 0.090 175.641 175.510 0.067 0.000 1.097 456 N CA 0.895 53.983 53.050 0.062 0.000 0.828 456 N CB -0.129 38.387 38.487 0.048 0.000 0.968 456 N HN 0.303 nan 8.380 nan 0.000 0.623 457 T N 1.009 115.598 114.554 0.060 0.000 2.943 457 T HA 0.198 4.548 4.350 0.001 0.000 0.284 457 T C 0.557 175.273 174.700 0.026 0.000 1.015 457 T CA -0.687 61.442 62.100 0.048 0.000 1.042 457 T CB 1.817 70.719 68.868 0.056 0.000 1.055 457 T HN 0.090 nan 8.240 nan 0.000 0.500 458 E N 2.849 123.060 120.200 0.019 0.000 1.861 458 E HA 0.149 4.499 4.350 0.001 0.000 0.263 458 E C 1.260 177.864 176.600 0.007 0.000 1.137 458 E CA -0.108 56.299 56.400 0.011 0.000 0.944 458 E CB 0.414 30.118 29.700 0.007 0.000 1.092 458 E HN 0.532 nan 8.360 nan 0.000 0.420 459 V N 1.588 121.505 119.914 0.006 0.000 2.878 459 V HA -0.087 4.033 4.120 0.001 0.000 0.250 459 V C 1.864 177.955 176.094 -0.005 0.000 1.075 459 V CA 0.749 63.051 62.300 0.002 0.000 1.096 459 V CB -0.457 31.367 31.823 0.002 0.000 0.724 459 V HN 0.437 nan 8.190 nan 0.000 0.467 460 R N 1.379 121.877 120.500 -0.005 0.000 2.328 460 R HA 0.028 4.369 4.340 0.001 0.000 0.207 460 R C 1.185 177.479 176.300 -0.010 0.000 1.056 460 R CA 1.659 57.754 56.100 -0.008 0.000 1.016 460 R CB -1.096 29.201 30.300 -0.006 0.000 0.872 460 R HN 0.658 nan 8.270 nan 0.000 0.471 461 N N 0.376 119.071 118.700 -0.008 0.000 2.336 461 N HA 0.159 4.900 4.740 0.001 0.000 0.189 461 N C -0.199 175.303 175.510 -0.013 0.000 1.113 461 N CA -0.162 52.883 53.050 -0.009 0.000 0.858 461 N CB 0.292 38.776 38.487 -0.005 0.000 0.970 461 N HN 0.118 nan 8.380 nan 0.000 0.471 462 L N -0.475 120.737 121.223 -0.018 0.000 2.260 462 L HA 0.434 4.774 4.340 0.001 0.000 0.265 462 L C 0.680 177.522 176.870 -0.047 0.000 1.015 462 L CA -0.912 53.913 54.840 -0.026 0.000 0.826 462 L CB 1.367 43.416 42.059 -0.018 0.000 1.373 462 L HN -0.018 nan 8.230 nan 0.000 0.450 463 S N -0.742 114.918 115.700 -0.067 0.000 2.666 463 S HA 0.290 4.760 4.470 0.001 0.000 0.279 463 S C 0.496 174.982 174.600 -0.190 0.000 1.149 463 S CA -0.517 57.610 58.200 -0.122 0.000 1.020 463 S CB 0.970 64.097 63.200 -0.121 0.000 1.127 463 S HN 0.452 nan 8.310 nan 0.000 0.537 464 K N -0.253 119.908 120.400 -0.399 0.000 2.486 464 K HA 0.258 4.579 4.320 0.001 0.000 0.194 464 K C 1.197 177.441 176.600 -0.594 0.000 1.033 464 K CA 0.534 56.413 56.287 -0.680 0.000 1.004 464 K CB -0.497 31.014 32.500 -1.649 0.000 0.798 464 K HN 0.435 nan 8.250 nan 0.000 0.495 465 V N -0.652 119.073 119.914 -0.315 0.000 3.523 465 V HA 0.070 4.191 4.120 0.001 0.000 0.255 465 V C 1.546 177.634 176.094 -0.010 0.000 1.226 465 V CA 0.518 62.775 62.300 -0.072 0.000 1.092 465 V CB 0.186 32.017 31.823 0.013 0.000 0.817 465 V HN 0.201 nan 8.190 nan 0.000 0.458 466 E N 1.332 121.512 120.200 -0.034 0.000 2.075 466 E HA -0.098 4.252 4.350 0.001 0.000 0.190 466 E C 2.113 178.722 176.600 0.015 0.000 0.969 466 E CA 0.757 57.155 56.400 -0.004 0.000 0.815 466 E CB -0.014 29.677 29.700 -0.016 0.000 0.776 466 E HN 0.588 nan 8.360 nan 0.000 0.457 467 R N 0.859 121.366 120.500 0.010 0.000 2.346 467 R HA 0.164 4.504 4.340 0.001 0.000 0.199 467 R C 1.600 177.942 176.300 0.070 0.000 1.015 467 R CA 0.789 56.906 56.100 0.029 0.000 1.058 467 R CB -0.051 30.257 30.300 0.013 0.000 0.921 467 R HN -0.017 nan 8.270 nan 0.000 0.475 468 A N 1.020 123.908 122.820 0.113 0.000 2.119 468 A HA -0.017 4.303 4.320 0.001 0.000 0.217 468 A C 0.856 178.507 177.584 0.112 0.000 1.153 468 A CA 0.777 52.931 52.037 0.195 0.000 0.692 468 A CB -0.062 19.092 19.000 0.256 0.000 0.799 468 A HN 0.498 nan 8.150 nan 0.000 0.458 469 N N -1.686 117.056 118.700 0.070 0.000 2.301 469 N HA 0.266 5.006 4.740 0.001 0.000 0.247 469 N C 1.055 176.586 175.510 0.035 0.000 1.347 469 N CA 0.664 53.742 53.050 0.047 0.000 0.844 469 N CB 0.578 39.092 38.487 0.044 0.000 1.332 469 N HN 0.295 nan 8.380 nan 0.000 0.494 470 A N 0.674 123.514 122.820 0.033 0.000 1.836 470 A HA -0.176 4.144 4.320 0.001 0.000 0.215 470 A C 2.180 179.783 177.584 0.033 0.000 1.214 470 A CA 1.552 53.606 52.037 0.028 0.000 0.636 470 A CB -1.027 17.986 19.000 0.022 0.000 0.847 470 A HN 0.423 nan 8.150 nan 0.000 0.451 471 C N -0.027 119.290 119.300 0.028 0.000 2.422 471 C HA -0.043 4.417 4.460 0.001 0.000 0.286 471 C C 2.604 177.617 174.990 0.039 0.000 1.412 471 C CA 0.820 59.860 59.018 0.037 0.000 1.786 471 C CB -1.736 26.006 27.740 0.003 0.000 1.835 471 C HN 0.584 nan 8.230 nan 0.000 0.533 472 N N 0.856 119.572 118.700 0.026 0.000 2.148 472 N HA -0.062 4.679 4.740 0.001 0.000 0.186 472 N C 1.904 177.434 175.510 0.034 0.000 1.031 472 N CA 1.199 54.261 53.050 0.022 0.000 0.848 472 N CB -0.350 38.145 38.487 0.015 0.000 1.005 472 N HN 0.391 nan 8.380 nan 0.000 0.427 473 S N 0.931 116.651 115.700 0.033 0.000 2.402 473 S HA -0.078 4.393 4.470 0.001 0.000 0.233 473 S C 2.250 176.871 174.600 0.035 0.000 1.030 473 S CA 0.684 58.903 58.200 0.031 0.000 1.003 473 S CB -0.270 62.945 63.200 0.026 0.000 0.813 473 S HN 0.090 nan 8.310 nan 0.000 0.477 474 V N 2.070 122.016 119.914 0.053 0.000 2.295 474 V HA -0.169 3.952 4.120 0.001 0.000 0.246 474 V C 2.047 178.187 176.094 0.077 0.000 1.049 474 V CA 1.616 63.955 62.300 0.065 0.000 1.024 474 V CB -0.630 31.273 31.823 0.134 0.000 0.648 474 V HN 0.483 nan 8.190 nan 0.000 0.447 475 I N -0.463 120.179 120.570 0.120 0.000 2.394 475 I HA -0.220 3.950 4.170 0.001 0.000 0.251 475 I C 2.715 178.870 176.117 0.063 0.000 1.136 475 I CA 1.349 62.724 61.300 0.125 0.000 1.425 475 I CB -0.443 37.610 38.000 0.089 0.000 1.079 475 I HN 0.263 nan 8.210 nan 0.000 0.425 476 R N 0.582 121.109 120.500 0.045 0.000 2.070 476 R HA -0.157 4.183 4.340 0.001 0.000 0.233 476 R C 2.113 178.429 176.300 0.027 0.000 1.137 476 R CA 1.057 57.179 56.100 0.037 0.000 0.945 476 R CB -0.439 29.880 30.300 0.030 0.000 0.845 476 R HN 0.322 nan 8.270 nan 0.000 0.430 477 Q N 0.546 120.354 119.800 0.014 0.000 2.522 477 Q HA -0.131 4.209 4.340 0.001 0.000 0.216 477 Q C 1.703 177.695 176.000 -0.012 0.000 0.986 477 Q CA 1.060 56.862 55.803 -0.002 0.000 0.901 477 Q CB -0.002 28.727 28.738 -0.014 0.000 0.954 477 Q HN 0.262 nan 8.270 nan 0.000 0.502 478 L N -1.407 119.814 121.223 -0.004 0.000 2.262 478 L HA 0.105 4.446 4.340 0.001 0.000 0.197 478 L C 0.822 177.705 176.870 0.022 0.000 1.073 478 L CA 1.015 55.849 54.840 -0.010 0.000 0.800 478 L CB 0.048 42.098 42.059 -0.015 0.000 0.987 478 L HN 0.119 nan 8.230 nan 0.000 0.470 479 M N 0.435 120.068 119.600 0.054 0.000 2.364 479 M HA 0.258 4.739 4.480 0.001 0.000 0.334 479 M C -0.399 175.933 176.300 0.054 0.000 1.107 479 M CA -0.230 55.115 55.300 0.074 0.000 0.988 479 M CB 1.541 34.247 32.600 0.177 0.000 1.673 479 M HN -0.028 nan 8.290 nan 0.000 0.441 480 K N 3.140 123.557 120.400 0.028 0.000 2.248 480 K HA 0.209 4.530 4.320 0.001 0.000 0.281 480 K C -0.375 176.233 176.600 0.014 0.000 1.054 480 K CA -0.332 55.969 56.287 0.023 0.000 0.903 480 K CB 0.974 33.485 32.500 0.019 0.000 1.077 480 K HN 0.590 nan 8.250 nan 0.000 0.474 481 K N 4.946 125.360 120.400 0.022 0.000 2.310 481 K HA 0.017 4.337 4.320 0.001 0.000 0.290 481 K C 0.345 176.949 176.600 0.007 0.000 1.077 481 K CA -0.249 56.041 56.287 0.005 0.000 0.922 481 K CB 0.761 33.277 32.500 0.027 0.000 1.057 481 K HN 0.607 nan 8.250 nan 0.000 0.479 482 E N 3.875 124.059 120.200 -0.026 0.000 2.014 482 E HA -0.016 4.335 4.350 0.001 0.000 0.190 482 E C 0.354 177.010 176.600 0.093 0.000 0.980 482 E CA 1.044 57.459 56.400 0.024 0.000 0.807 482 E CB -0.101 29.608 29.700 0.016 0.000 0.770 482 E HN 0.582 nan 8.360 nan 0.000 0.451 483 F N -0.948 119.021 119.950 0.032 0.000 2.662 483 F HA 0.575 5.103 4.527 0.001 0.000 0.312 483 F C -0.584 175.224 175.800 0.014 0.000 1.113 483 F CA -1.290 56.710 58.000 -0.001 0.000 0.951 483 F CB 1.690 40.651 39.000 -0.065 0.000 1.344 483 F HN -0.230 nan 8.300 nan 0.000 0.462 484 T N 1.235 115.945 114.554 0.260 0.000 2.824 484 T HA 0.604 4.954 4.350 0.001 0.000 0.282 484 T C -1.087 173.705 174.700 0.153 0.000 0.993 484 T CA -0.709 61.481 62.100 0.150 0.000 0.967 484 T CB 1.098 70.031 68.868 0.108 0.000 0.960 484 T HN 0.826 nan 8.240 nan 0.000 0.441 485 L N 4.285 125.526 121.223 0.031 0.000 2.328 485 L HA 0.337 4.678 4.340 0.001 0.000 0.280 485 L C 0.365 177.286 176.870 0.084 0.000 1.111 485 L CA -0.979 53.725 54.840 -0.227 0.000 0.909 485 L CB -0.082 41.619 42.059 -0.598 0.000 1.277 485 L HN 0.744 nan 8.230 nan 0.000 0.433 486 E N 1.737 122.092 120.200 0.258 0.000 2.492 486 E HA -0.093 4.258 4.350 0.001 0.000 0.266 486 E C -0.290 176.520 176.600 0.349 0.000 1.047 486 E CA -0.126 56.460 56.400 0.309 0.000 0.968 486 E CB 0.255 30.144 29.700 0.315 0.000 0.960 486 E HN 0.289 nan 8.360 nan 0.000 0.452 487 F N 1.225 121.283 119.950 0.180 0.000 2.563 487 F HA 0.167 4.695 4.527 0.001 0.000 0.363 487 F C 0.288 176.186 175.800 0.163 0.000 1.123 487 F CA 0.558 58.652 58.000 0.157 0.000 1.307 487 F CB 0.664 39.731 39.000 0.112 0.000 1.115 487 F HN 0.289 nan 8.300 nan 0.000 0.592 488 S N 5.531 120.797 115.700 -0.723 0.000 2.571 488 S HA 0.382 4.852 4.470 0.001 0.000 0.284 488 S C 0.727 174.889 174.600 -0.732 0.000 1.128 488 S CA -0.866 57.065 58.200 -0.449 0.000 0.970 488 S CB 1.371 64.467 63.200 -0.173 0.000 1.039 488 S HN 0.855 nan 8.310 nan 0.000 0.485 489 R N 1.824 122.139 120.500 -0.309 0.000 2.139 489 R HA -0.164 4.176 4.340 0.001 0.000 0.243 489 R C 1.292 177.523 176.300 -0.114 0.000 1.145 489 R CA 2.464 58.491 56.100 -0.121 0.000 0.976 489 R CB -0.388 29.947 30.300 0.057 0.000 0.866 489 R HN 0.828 nan 8.270 nan 0.000 0.449 490 D N 0.007 120.338 120.400 -0.115 0.000 2.123 490 D HA -0.189 4.451 4.640 0.001 0.000 0.200 490 D C 1.818 178.071 176.300 -0.078 0.000 0.976 490 D CA 1.004 54.963 54.000 -0.069 0.000 0.831 490 D CB -0.214 40.552 40.800 -0.056 0.000 0.974 490 D HN 0.309 nan 8.370 nan 0.000 0.469 491 R N 0.360 120.783 120.500 -0.129 0.000 2.223 491 R HA 0.168 4.508 4.340 0.001 0.000 0.198 491 R C 0.264 176.507 176.300 -0.094 0.000 0.984 491 R CA 0.001 56.050 56.100 -0.085 0.000 1.018 491 R CB -0.323 29.946 30.300 -0.052 0.000 0.945 491 R HN -0.102 nan 8.270 nan 0.000 0.479 492 K N 1.422 121.670 120.400 -0.253 0.000 3.096 492 K HA -0.178 4.143 4.320 0.001 0.000 0.266 492 K C -0.974 175.692 176.600 0.111 0.000 1.043 492 K CA 0.766 56.978 56.287 -0.126 0.000 0.758 492 K CB -1.618 30.949 32.500 0.112 0.000 1.260 492 K HN 0.682 nan 8.250 nan 0.000 0.481 493 S N -1.203 114.470 115.700 -0.045 0.000 2.615 493 S HA 0.804 5.274 4.470 0.001 0.000 0.269 493 S C -0.633 174.089 174.600 0.203 0.000 1.161 493 S CA -0.930 57.390 58.200 0.198 0.000 0.817 493 S CB 2.399 65.678 63.200 0.133 0.000 1.131 493 S HN 0.414 nan 8.310 nan 0.000 0.467 494 M N -0.119 119.634 119.600 0.256 0.000 2.755 494 M HA 0.915 5.396 4.480 0.001 0.000 0.273 494 M C -1.347 175.046 176.300 0.154 0.000 1.278 494 M CA -0.600 54.835 55.300 0.226 0.000 0.819 494 M CB 1.950 34.728 32.600 0.297 0.000 1.694 494 M HN 1.336 nan 8.290 nan 0.000 0.460 495 S N -0.013 115.756 115.700 0.115 0.000 2.595 495 S HA 0.761 5.232 4.470 0.001 0.000 0.270 495 S C -1.145 173.481 174.600 0.043 0.000 1.145 495 S CA -0.377 57.872 58.200 0.082 0.000 0.825 495 S CB 1.313 64.552 63.200 0.065 0.000 1.107 495 S HN 1.704 nan 8.310 nan 0.000 0.461 496 V N -0.728 119.193 119.914 0.012 0.000 2.735 496 V HA 0.792 4.912 4.120 0.001 0.000 0.310 496 V C -1.242 174.717 176.094 -0.224 0.000 1.061 496 V CA -0.935 61.329 62.300 -0.060 0.000 0.913 496 V CB 1.347 33.183 31.823 0.021 0.000 1.005 496 V HN 1.049 nan 8.190 nan 0.000 0.428 497 Y N 3.101 123.047 120.300 -0.590 0.000 2.335 497 Y HA 0.730 5.280 4.550 0.001 0.000 0.339 497 Y C -0.130 175.434 175.900 -0.560 0.000 0.987 497 Y CA -0.547 57.097 58.100 -0.760 0.000 1.140 497 Y CB 1.010 38.550 38.460 -1.534 0.000 1.173 497 Y HN 0.984 nan 8.280 nan 0.000 0.486 498 C N 3.967 122.872 119.300 -0.658 0.000 2.634 498 C HA 0.772 5.232 4.460 0.001 0.000 0.313 498 C C -0.617 174.166 174.990 -0.346 0.000 1.198 498 C CA -0.922 57.875 59.018 -0.369 0.000 1.605 498 C CB 0.996 28.568 27.740 -0.280 0.000 2.196 498 C HN 0.886 nan 8.230 nan 0.000 0.486 499 S N 2.197 117.822 115.700 -0.124 0.000 2.513 499 S HA 0.728 5.198 4.470 0.001 0.000 0.299 499 S C -2.949 171.630 174.600 -0.035 0.000 1.087 499 S CA -1.157 57.001 58.200 -0.070 0.000 1.012 499 S CB 1.608 64.820 63.200 0.020 0.000 1.044 499 S HN 0.636 nan 8.310 nan 0.000 0.485 500 P HA 0.163 nan 4.420 nan 0.000 0.268 500 P C 0.353 177.652 177.300 -0.002 0.000 1.208 500 P CA -0.159 62.936 63.100 -0.008 0.000 0.777 500 P CB 0.750 32.444 31.700 -0.011 0.000 0.875 501 A N 2.489 125.308 122.820 -0.000 0.000 1.973 501 A HA -0.013 4.307 4.320 0.001 0.000 0.210 501 A C 2.055 179.636 177.584 -0.006 0.000 1.200 501 A CA 0.865 52.902 52.037 -0.001 0.000 0.707 501 A CB -0.678 18.321 19.000 -0.001 0.000 0.862 501 A HN 0.444 nan 8.150 nan 0.000 0.461 502 K N 0.916 121.309 120.400 -0.012 0.000 2.360 502 K HA 0.035 4.356 4.320 0.001 0.000 0.201 502 K C -0.160 176.434 176.600 -0.011 0.000 1.046 502 K CA 1.106 57.383 56.287 -0.016 0.000 0.945 502 K CB -0.218 32.269 32.500 -0.023 0.000 0.750 502 K HN 0.290 nan 8.250 nan 0.000 0.464 503 S N 0.453 116.149 115.700 -0.007 0.000 2.328 503 S HA 0.090 4.561 4.470 0.001 0.000 0.204 503 S C 0.664 175.264 174.600 -0.001 0.000 1.475 503 S CA -0.189 58.008 58.200 -0.005 0.000 1.148 503 S CB 1.009 64.206 63.200 -0.006 0.000 1.077 503 S HN 0.412 nan 8.310 nan 0.000 0.479 504 S N 2.525 118.225 115.700 0.000 0.000 2.378 504 S HA -0.097 4.373 4.470 0.001 0.000 0.221 504 S C 0.966 175.570 174.600 0.006 0.000 1.037 504 S CA 0.774 58.976 58.200 0.003 0.000 1.069 504 S CB -0.201 63.000 63.200 0.002 0.000 1.006 504 S HN 0.459 nan 8.310 nan 0.000 0.423 505 R N 2.644 123.147 120.500 0.004 0.000 3.436 505 R HA 0.683 5.024 4.340 0.001 0.000 0.247 505 R C -0.614 175.689 176.300 0.005 0.000 1.434 505 R CA 0.095 56.199 56.100 0.006 0.000 1.543 505 R CB -0.256 30.047 30.300 0.004 0.000 1.289 505 R HN 0.545 nan 8.270 nan 0.000 0.664 506 A N 0.248 123.072 122.820 0.006 0.000 2.342 506 A HA 0.664 4.984 4.320 0.001 0.000 0.323 506 A C 0.782 178.372 177.584 0.009 0.000 1.125 506 A CA -0.449 51.591 52.037 0.005 0.000 0.785 506 A CB 1.443 20.443 19.000 0.000 0.000 1.221 506 A HN 0.490 nan 8.150 nan 0.000 0.463 507 A N 2.007 124.832 122.820 0.008 0.000 2.208 507 A HA 0.466 4.786 4.320 0.001 0.000 0.209 507 A C 0.657 178.248 177.584 0.012 0.000 1.161 507 A CA 1.177 53.221 52.037 0.012 0.000 0.782 507 A CB -0.318 18.688 19.000 0.010 0.000 0.816 507 A HN 1.018 nan 8.150 nan 0.000 0.477 508 V N -4.222 115.694 119.914 0.004 0.000 3.076 508 V HA 0.778 4.898 4.120 0.001 0.000 0.311 508 V C 1.261 177.344 176.094 -0.018 0.000 1.346 508 V CA -0.178 62.119 62.300 -0.004 0.000 1.056 508 V CB 0.719 32.538 31.823 -0.007 0.000 1.093 508 V HN 0.919 nan 8.190 nan 0.000 0.468 509 G N 0.439 109.217 108.800 -0.036 0.000 2.179 509 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 509 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 509 G C -0.016 174.823 174.900 -0.103 0.000 0.990 509 G CA 0.189 45.258 45.100 -0.052 0.000 0.646 509 G HN 0.722 nan 8.290 nan 0.000 0.517 510 N N 1.059 119.676 118.700 -0.137 0.000 2.530 510 N HA 0.492 5.233 4.740 0.001 0.000 0.273 510 N C -0.387 174.862 175.510 -0.435 0.000 1.173 510 N CA 0.111 52.982 53.050 -0.297 0.000 0.967 510 N CB 0.535 38.862 38.487 -0.267 0.000 1.109 510 N HN 0.018 nan 8.380 nan 0.000 0.453 511 K N 2.059 122.058 120.400 -0.668 0.000 2.464 511 K HA 0.398 4.719 4.320 0.001 0.000 0.253 511 K C -0.942 175.027 176.600 -1.051 0.000 0.933 511 K CA -0.452 55.389 56.287 -0.743 0.000 0.801 511 K CB 2.403 34.476 32.500 -0.712 0.000 1.271 511 K HN 0.472 nan 8.250 nan 0.000 0.430 512 M N 2.202 121.351 119.600 -0.751 0.000 2.268 512 M HA 0.409 4.890 4.480 0.001 0.000 0.344 512 M C -1.032 175.006 176.300 -0.437 0.000 1.106 512 M CA -0.698 54.252 55.300 -0.583 0.000 1.010 512 M CB 0.718 33.168 32.600 -0.251 0.000 1.649 512 M HN 0.298 nan 8.290 nan 0.000 0.443 513 F N 2.967 122.853 119.950 -0.107 0.000 2.411 513 F HA 0.534 5.061 4.527 0.001 0.000 0.352 513 F C -0.147 175.632 175.800 -0.034 0.000 1.123 513 F CA -1.063 56.895 58.000 -0.069 0.000 1.044 513 F CB 0.905 39.861 39.000 -0.073 0.000 1.135 513 F HN 0.129 nan 8.300 nan 0.000 0.461 514 V N 3.628 123.643 119.914 0.170 0.000 2.581 514 V HA 0.569 4.689 4.120 0.001 0.000 0.303 514 V C -0.332 175.812 176.094 0.084 0.000 1.041 514 V CA -1.117 61.250 62.300 0.113 0.000 0.907 514 V CB 2.009 33.891 31.823 0.098 0.000 0.994 514 V HN 0.676 nan 8.190 nan 0.000 0.442 515 K N 1.816 122.275 120.400 0.099 0.000 2.501 515 K HA 0.764 5.084 4.320 0.001 0.000 0.252 515 K C -0.466 176.220 176.600 0.143 0.000 0.934 515 K CA -0.078 56.261 56.287 0.086 0.000 0.797 515 K CB 2.313 34.855 32.500 0.071 0.000 1.270 515 K HN 1.057 nan 8.250 nan 0.000 0.431 516 G N 1.003 109.884 108.800 0.136 0.000 2.320 516 G HA2 0.442 4.402 3.960 0.001 0.000 0.296 516 G HA3 0.442 4.402 3.960 0.001 0.000 0.296 516 G C -1.553 173.449 174.900 0.170 0.000 1.306 516 G CA -0.428 44.794 45.100 0.203 0.000 0.836 516 G HN 0.672 nan 8.290 nan 0.000 0.517 517 A N 0.583 123.527 122.820 0.206 0.000 2.546 517 A HA 0.535 4.855 4.320 0.001 0.000 0.243 517 A C -0.612 177.052 177.584 0.133 0.000 1.063 517 A CA 0.441 52.575 52.037 0.161 0.000 0.757 517 A CB -0.106 18.997 19.000 0.172 0.000 0.991 517 A HN 0.388 nan 8.150 nan 0.000 0.503 518 P HA -0.240 nan 4.420 nan 0.000 0.214 518 P C 1.499 178.861 177.300 0.103 0.000 1.172 518 P CA 1.681 64.853 63.100 0.120 0.000 0.925 518 P CB 0.094 31.861 31.700 0.111 0.000 0.793 519 E N -0.873 119.376 120.200 0.081 0.000 2.068 519 E HA -0.225 4.125 4.350 0.001 0.000 0.207 519 E C 2.210 178.846 176.600 0.060 0.000 1.032 519 E CA 1.958 58.394 56.400 0.060 0.000 0.839 519 E CB -1.051 28.679 29.700 0.050 0.000 0.758 519 E HN 0.219 nan 8.360 nan 0.000 0.457 520 G N 0.454 109.294 108.800 0.066 0.000 2.446 520 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 520 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 520 G C 1.728 176.670 174.900 0.070 0.000 1.168 520 G CA 1.209 46.344 45.100 0.059 0.000 0.771 520 G HN 0.218 nan 8.290 nan 0.000 0.551 521 V N 1.273 121.243 119.914 0.095 0.000 2.295 521 V HA -0.165 3.956 4.120 0.001 0.000 0.246 521 V C 2.785 178.955 176.094 0.126 0.000 1.049 521 V CA 1.622 63.990 62.300 0.113 0.000 1.024 521 V CB -0.420 31.482 31.823 0.132 0.000 0.648 521 V HN 0.400 nan 8.190 nan 0.000 0.447 522 I N 0.012 120.658 120.570 0.128 0.000 2.394 522 I HA -0.196 3.974 4.170 0.001 0.000 0.251 522 I C 2.163 178.310 176.117 0.050 0.000 1.136 522 I CA 1.329 62.693 61.300 0.107 0.000 1.425 522 I CB -0.460 37.568 38.000 0.046 0.000 1.079 522 I HN 0.322 nan 8.210 nan 0.000 0.425 523 D N 0.887 121.310 120.400 0.039 0.000 2.219 523 D HA -0.096 4.544 4.640 0.001 0.000 0.205 523 D C 2.007 178.316 176.300 0.015 0.000 0.970 523 D CA 0.970 54.979 54.000 0.016 0.000 0.851 523 D CB -0.076 40.733 40.800 0.014 0.000 0.943 523 D HN 0.288 nan 8.370 nan 0.000 0.488 524 R N -0.492 120.028 120.500 0.035 0.000 2.320 524 R HA 0.147 4.487 4.340 0.001 0.000 0.211 524 R C 0.051 176.370 176.300 0.033 0.000 0.931 524 R CA -0.173 55.946 56.100 0.031 0.000 1.071 524 R CB 0.201 30.529 30.300 0.047 0.000 1.025 524 R HN 0.043 nan 8.270 nan 0.000 0.495 525 C N 1.084 120.409 119.300 0.040 0.000 2.347 525 C HA 0.261 4.721 4.460 0.001 0.000 0.353 525 C C 1.124 176.081 174.990 -0.054 0.000 1.273 525 C CA -0.766 58.280 59.018 0.047 0.000 1.861 525 C CB 0.704 28.525 27.740 0.135 0.000 2.420 525 C HN 0.476 nan 8.230 nan 0.000 0.542 526 N N 0.562 119.154 118.700 -0.181 0.000 2.227 526 N HA 0.151 4.891 4.740 0.001 0.000 0.196 526 N C -0.878 174.262 175.510 -0.617 0.000 1.142 526 N CA 0.449 53.227 53.050 -0.453 0.000 0.887 526 N CB 0.441 38.515 38.487 -0.690 0.000 1.022 526 N HN 0.678 nan 8.380 nan 0.000 0.500 527 Y N -0.657 119.690 120.300 0.079 0.000 2.545 527 Y HA 0.543 5.094 4.550 0.001 0.000 0.348 527 Y C -0.157 175.823 175.900 0.132 0.000 1.002 527 Y CA -1.009 57.142 58.100 0.086 0.000 1.039 527 Y CB 1.644 40.149 38.460 0.074 0.000 1.271 527 Y HN -0.421 nan 8.280 nan 0.000 0.467 528 V N 2.558 122.656 119.914 0.306 0.000 2.487 528 V HA 0.500 4.620 4.120 0.001 0.000 0.298 528 V C -0.444 175.790 176.094 0.234 0.000 1.028 528 V CA -1.052 61.418 62.300 0.283 0.000 0.860 528 V CB 1.770 33.717 31.823 0.207 0.000 0.991 528 V HN 0.669 nan 8.190 nan 0.000 0.427 529 R N 3.524 124.157 120.500 0.221 0.000 2.308 529 R HA 0.598 4.938 4.340 0.001 0.000 0.305 529 R C -1.186 175.205 176.300 0.152 0.000 1.053 529 R CA -0.166 56.022 56.100 0.146 0.000 0.957 529 R CB 1.246 31.606 30.300 0.099 0.000 1.022 529 R HN 0.512 nan 8.270 nan 0.000 0.461 530 V N 6.302 126.290 119.914 0.123 0.000 2.289 530 V HA 0.454 4.574 4.120 0.001 0.000 0.272 530 V C 0.937 177.095 176.094 0.107 0.000 1.026 530 V CA 0.321 62.696 62.300 0.125 0.000 0.807 530 V CB 0.223 32.113 31.823 0.112 0.000 1.044 530 V HN 1.155 nan 8.190 nan 0.000 0.443 531 G N 4.959 113.830 108.800 0.118 0.000 2.536 531 G HA2 -0.336 3.624 3.960 0.001 0.000 0.277 531 G HA3 -0.336 3.624 3.960 0.001 0.000 0.277 531 G C 0.967 175.912 174.900 0.075 0.000 1.155 531 G CA 0.933 46.096 45.100 0.105 0.000 0.960 531 G HN 1.136 nan 8.290 nan 0.000 0.544 532 T N -1.061 113.528 114.554 0.059 0.000 3.014 532 T HA 0.424 4.774 4.350 0.001 0.000 0.250 532 T C 1.542 176.264 174.700 0.036 0.000 1.060 532 T CA 1.759 63.885 62.100 0.044 0.000 1.040 532 T CB -0.208 68.682 68.868 0.036 0.000 0.971 532 T HN 1.787 nan 8.240 nan 0.000 0.497 533 T N 0.336 114.915 114.554 0.042 0.000 2.729 533 T HA 0.480 4.831 4.350 0.001 0.000 0.298 533 T C -0.101 174.621 174.700 0.036 0.000 1.013 533 T CA -0.875 61.244 62.100 0.032 0.000 0.957 533 T CB 1.211 70.102 68.868 0.038 0.000 1.130 533 T HN 0.439 nan 8.240 nan 0.000 0.526 534 R N -0.154 120.360 120.500 0.022 0.000 2.626 534 R HA 0.594 4.935 4.340 0.001 0.000 0.274 534 R C -1.702 174.624 176.300 0.043 0.000 1.031 534 R CA -0.737 55.378 56.100 0.026 0.000 0.898 534 R CB 2.113 32.378 30.300 -0.058 0.000 1.222 534 R HN 0.854 nan 8.270 nan 0.000 0.455 535 V N 0.013 119.995 119.914 0.113 0.000 3.159 535 V HA 0.722 4.842 4.120 0.001 0.000 0.308 535 V C -2.759 173.484 176.094 0.248 0.000 1.190 535 V CA -2.235 60.149 62.300 0.139 0.000 1.037 535 V CB 2.079 33.964 31.823 0.104 0.000 1.060 535 V HN 0.700 nan 8.190 nan 0.000 0.437 536 P HA 0.214 nan 4.420 nan 0.000 0.271 536 P C -0.523 176.837 177.300 0.099 0.000 1.218 536 P CA -0.226 63.000 63.100 0.210 0.000 0.780 536 P CB 0.737 32.516 31.700 0.131 0.000 0.901 537 M N 2.758 122.374 119.600 0.026 0.000 2.219 537 M HA 0.194 4.675 4.480 0.001 0.000 0.353 537 M C -0.636 175.653 176.300 -0.019 0.000 1.304 537 M CA 1.247 56.546 55.300 -0.002 0.000 1.115 537 M CB -0.397 32.178 32.600 -0.041 0.000 1.664 537 M HN 0.285 nan 8.290 nan 0.000 0.459 538 T N 3.617 118.160 114.554 -0.019 0.000 2.916 538 T HA 0.577 4.927 4.350 0.001 0.000 0.292 538 T C 1.083 175.759 174.700 -0.040 0.000 1.064 538 T CA -0.396 61.689 62.100 -0.026 0.000 1.011 538 T CB 1.547 70.405 68.868 -0.017 0.000 1.152 538 T HN 0.772 nan 8.240 nan 0.000 0.510 539 G N 1.418 110.194 108.800 -0.040 0.000 2.491 539 G HA2 -0.130 3.830 3.960 0.001 0.000 0.218 539 G HA3 -0.130 3.830 3.960 0.001 0.000 0.218 539 G C -0.988 173.884 174.900 -0.047 0.000 1.180 539 G CA 0.936 46.010 45.100 -0.044 0.000 0.774 539 G HN 0.552 nan 8.290 nan 0.000 0.562 540 P HA -0.060 nan 4.420 nan 0.000 0.216 540 P C 2.014 179.287 177.300 -0.044 0.000 1.150 540 P CA 0.977 64.053 63.100 -0.040 0.000 0.843 540 P CB -0.089 31.588 31.700 -0.037 0.000 0.787 541 V N -0.141 119.746 119.914 -0.046 0.000 2.591 541 V HA -0.167 3.953 4.120 0.001 0.000 0.249 541 V C 2.444 178.472 176.094 -0.111 0.000 1.053 541 V CA 1.515 63.779 62.300 -0.060 0.000 1.068 541 V CB -0.955 30.844 31.823 -0.039 0.000 0.689 541 V HN 0.143 nan 8.190 nan 0.000 0.462 542 K N -0.006 120.330 120.400 -0.107 0.000 2.031 542 K HA -0.158 4.163 4.320 0.001 0.000 0.205 542 K C 2.236 178.766 176.600 -0.117 0.000 1.049 542 K CA 1.180 57.388 56.287 -0.133 0.000 0.939 542 K CB -0.030 32.411 32.500 -0.098 0.000 0.717 542 K HN 0.301 nan 8.250 nan 0.000 0.438 543 E N 1.201 121.349 120.200 -0.087 0.000 2.085 543 E HA -0.201 4.150 4.350 0.001 0.000 0.194 543 E C 1.934 178.474 176.600 -0.099 0.000 0.994 543 E CA 0.936 57.289 56.400 -0.079 0.000 0.801 543 E CB -0.074 29.590 29.700 -0.060 0.000 0.743 543 E HN 0.150 nan 8.360 nan 0.000 0.453 544 K N 0.853 121.188 120.400 -0.108 0.000 2.032 544 K HA -0.101 4.220 4.320 0.001 0.000 0.209 544 K C 2.284 178.767 176.600 -0.195 0.000 1.048 544 K CA 0.874 57.077 56.287 -0.140 0.000 0.927 544 K CB -0.586 31.842 32.500 -0.120 0.000 0.712 544 K HN 0.178 nan 8.250 nan 0.000 0.441 545 I N 0.884 121.349 120.570 -0.175 0.000 2.142 545 I HA -0.318 3.853 4.170 0.001 0.000 0.240 545 I C 2.335 178.396 176.117 -0.093 0.000 1.078 545 I CA 1.090 62.312 61.300 -0.130 0.000 1.343 545 I CB -0.318 37.525 38.000 -0.263 0.000 1.046 545 I HN 0.066 nan 8.210 nan 0.000 0.405 546 L N -0.010 121.153 121.223 -0.100 0.000 2.046 546 L HA -0.233 4.108 4.340 0.001 0.000 0.208 546 L C 2.791 179.609 176.870 -0.086 0.000 1.077 546 L CA 1.477 56.278 54.840 -0.066 0.000 0.747 546 L CB -0.720 41.305 42.059 -0.056 0.000 0.896 546 L HN 0.306 nan 8.230 nan 0.000 0.432 547 S N 0.017 115.647 115.700 -0.116 0.000 2.359 547 S HA -0.188 4.283 4.470 0.001 0.000 0.223 547 S C 1.942 176.435 174.600 -0.177 0.000 1.039 547 S CA 1.871 59.995 58.200 -0.125 0.000 1.042 547 S CB -0.284 62.837 63.200 -0.131 0.000 0.915 547 S HN 0.193 nan 8.310 nan 0.000 0.439 548 V N 1.539 121.271 119.914 -0.303 0.000 2.548 548 V HA -0.050 4.070 4.120 0.001 0.000 0.249 548 V C 2.279 178.075 176.094 -0.497 0.000 1.055 548 V CA 1.608 63.606 62.300 -0.504 0.000 1.065 548 V CB -0.625 30.649 31.823 -0.915 0.000 0.681 548 V HN 0.506 nan 8.190 nan 0.000 0.462 549 I N -0.010 120.417 120.570 -0.238 0.000 2.252 549 I HA -0.235 3.935 4.170 0.001 0.000 0.245 549 I C 2.565 178.695 176.117 0.021 0.000 1.102 549 I CA 1.633 62.894 61.300 -0.064 0.000 1.385 549 I CB -0.351 37.673 38.000 0.039 0.000 1.064 549 I HN 0.259 nan 8.210 nan 0.000 0.414 550 K N 1.011 121.406 120.400 -0.009 0.000 2.057 550 K HA -0.285 4.035 4.320 0.001 0.000 0.207 550 K C 2.096 178.733 176.600 0.062 0.000 1.049 550 K CA 1.952 58.255 56.287 0.026 0.000 0.931 550 K CB -0.039 32.459 32.500 -0.002 0.000 0.714 550 K HN 0.080 nan 8.250 nan 0.000 0.440 551 E N 0.153 120.381 120.200 0.047 0.000 2.077 551 E HA -0.187 4.164 4.350 0.001 0.000 0.193 551 E C 1.596 178.363 176.600 0.278 0.000 0.989 551 E CA 1.669 58.142 56.400 0.121 0.000 0.800 551 E CB -0.308 29.450 29.700 0.096 0.000 0.746 551 E HN 0.404 nan 8.360 nan 0.000 0.452 552 W N -0.082 121.242 121.300 0.041 0.000 2.418 552 W HA 0.233 4.893 4.660 0.001 0.000 0.292 552 W C 2.325 178.871 176.519 0.045 0.000 1.213 552 W CA 1.225 58.601 57.345 0.052 0.000 1.283 552 W CB -1.094 28.421 29.460 0.091 0.000 1.119 552 W HN 0.278 nan 8.180 nan 0.000 0.542 553 G N -1.723 107.241 108.800 0.275 0.000 2.539 553 G HA2 -0.070 3.891 3.960 0.001 0.000 0.215 553 G HA3 -0.070 3.891 3.960 0.001 0.000 0.215 553 G C 1.330 176.298 174.900 0.113 0.000 1.141 553 G CA 1.271 46.474 45.100 0.171 0.000 0.806 553 G HN 0.185 nan 8.290 nan 0.000 0.533 554 T N 0.116 114.731 114.554 0.103 0.000 2.990 554 T HA 0.320 4.670 4.350 0.001 0.000 0.250 554 T C 1.426 176.163 174.700 0.063 0.000 1.041 554 T CA 0.313 62.454 62.100 0.068 0.000 1.010 554 T CB 0.629 69.527 68.868 0.049 0.000 1.003 554 T HN 0.319 nan 8.240 nan 0.000 0.499 555 G N 0.728 109.578 108.800 0.084 0.000 2.535 555 G HA2 0.280 4.241 3.960 0.001 0.000 0.282 555 G HA3 0.280 4.241 3.960 0.001 0.000 0.282 555 G C 0.577 175.507 174.900 0.052 0.000 1.350 555 G CA -0.693 44.449 45.100 0.069 0.000 1.039 555 G HN 0.221 nan 8.290 nan 0.000 0.509 556 R N -0.477 120.044 120.500 0.036 0.000 2.293 556 R HA -0.028 4.312 4.340 0.001 0.000 0.219 556 R C 1.299 177.600 176.300 0.002 0.000 1.091 556 R CA 0.994 57.104 56.100 0.016 0.000 1.004 556 R CB 0.077 30.382 30.300 0.008 0.000 0.865 556 R HN 0.423 nan 8.270 nan 0.000 0.469 557 D N 0.452 120.855 120.400 0.005 0.000 2.269 557 D HA -0.094 4.546 4.640 0.001 0.000 0.208 557 D C 0.652 176.940 176.300 -0.020 0.000 0.963 557 D CA 1.591 55.568 54.000 -0.037 0.000 0.864 557 D CB -0.174 40.572 40.800 -0.089 0.000 0.936 557 D HN 0.303 nan 8.370 nan 0.000 0.505 558 T N -1.003 113.563 114.554 0.019 0.000 3.708 558 T HA -0.256 4.095 4.350 0.001 0.000 0.375 558 T C 0.147 174.861 174.700 0.024 0.000 0.763 558 T CA 0.276 62.391 62.100 0.026 0.000 1.915 558 T CB -2.536 66.336 68.868 0.007 0.000 1.783 558 T HN 0.175 nan 8.240 nan 0.000 0.734 559 L N 0.018 121.271 121.223 0.050 0.000 2.325 559 L HA 0.571 4.912 4.340 0.001 0.000 0.279 559 L C 0.974 177.902 176.870 0.097 0.000 1.054 559 L CA -1.284 53.587 54.840 0.051 0.000 0.804 559 L CB 1.385 43.461 42.059 0.029 0.000 1.200 559 L HN 0.327 nan 8.230 nan 0.000 0.436 560 R N 1.834 122.378 120.500 0.073 0.000 2.248 560 R HA 0.337 4.677 4.340 0.001 0.000 0.328 560 R C -1.176 175.194 176.300 0.117 0.000 1.067 560 R CA -0.406 55.744 56.100 0.083 0.000 0.924 560 R CB 0.438 30.769 30.300 0.051 0.000 1.013 560 R HN 0.643 nan 8.270 nan 0.000 0.454 561 C N 5.124 124.514 119.300 0.150 0.000 2.365 561 C HA 0.527 4.987 4.460 0.001 0.000 0.351 561 C C -0.756 174.308 174.990 0.123 0.000 1.240 561 C CA -0.799 58.327 59.018 0.180 0.000 2.062 561 C CB 0.710 28.586 27.740 0.226 0.000 2.387 561 C HN 0.631 nan 8.230 nan 0.000 0.537 562 L N 2.761 124.045 121.223 0.102 0.000 2.381 562 L HA 0.653 4.994 4.340 0.001 0.000 0.274 562 L C 0.293 177.185 176.870 0.038 0.000 0.988 562 L CA -0.249 54.633 54.840 0.069 0.000 0.824 562 L CB 1.276 43.361 42.059 0.043 0.000 1.263 562 L HN 0.864 nan 8.230 nan 0.000 0.410 563 A N 5.082 127.936 122.820 0.057 0.000 2.327 563 A HA 0.809 5.129 4.320 0.001 0.000 0.283 563 A C -0.853 176.701 177.584 -0.050 0.000 1.127 563 A CA -0.314 51.744 52.037 0.036 0.000 0.810 563 A CB 0.356 19.458 19.000 0.169 0.000 1.066 563 A HN 0.640 nan 8.150 nan 0.000 0.492 564 L N 1.575 122.667 121.223 -0.219 0.000 2.356 564 L HA 0.750 5.090 4.340 0.001 0.000 0.277 564 L C 0.288 176.992 176.870 -0.278 0.000 0.996 564 L CA -0.224 54.492 54.840 -0.205 0.000 0.822 564 L CB 1.892 43.812 42.059 -0.231 0.000 1.256 564 L HN 0.855 nan 8.230 nan 0.000 0.413 565 A N 1.835 124.595 122.820 -0.100 0.000 2.530 565 A HA 0.971 5.292 4.320 0.001 0.000 0.288 565 A C -0.841 176.780 177.584 0.062 0.000 1.172 565 A CA -0.551 51.461 52.037 -0.042 0.000 0.733 565 A CB 2.176 21.203 19.000 0.044 0.000 1.320 565 A HN 0.501 nan 8.150 nan 0.000 0.419 566 T N 0.938 115.551 114.554 0.098 0.000 2.916 566 T HA 0.434 4.784 4.350 0.001 0.000 0.298 566 T C -0.749 174.009 174.700 0.095 0.000 1.031 566 T CA -0.547 61.644 62.100 0.152 0.000 0.993 566 T CB 1.220 70.206 68.868 0.197 0.000 1.045 566 T HN 0.491 nan 8.240 nan 0.000 0.454 567 R N 2.555 123.071 120.500 0.026 0.000 2.235 567 R HA 0.176 4.516 4.340 0.001 0.000 0.338 567 R C 0.058 176.342 176.300 -0.028 0.000 1.087 567 R CA -0.272 55.840 56.100 0.020 0.000 0.948 567 R CB 0.536 30.831 30.300 -0.008 0.000 1.099 567 R HN 0.675 nan 8.270 nan 0.000 0.483 568 D N 1.005 121.419 120.400 0.023 0.000 2.117 568 D HA -0.085 4.555 4.640 0.001 0.000 0.197 568 D C -0.022 176.253 176.300 -0.042 0.000 0.987 568 D CA 1.671 55.660 54.000 -0.018 0.000 0.829 568 D CB 0.457 41.242 40.800 -0.025 0.000 0.961 568 D HN 0.349 nan 8.370 nan 0.000 0.460 569 T N 3.334 117.886 114.554 -0.003 0.000 3.253 569 T HA 0.275 4.626 4.350 0.001 0.000 0.391 569 T C -2.405 172.307 174.700 0.018 0.000 1.527 569 T CA -1.275 60.825 62.100 0.000 0.000 1.268 569 T CB 2.063 70.948 68.868 0.028 0.000 1.126 569 T HN 0.035 nan 8.240 nan 0.000 0.620 570 P HA 0.325 nan 4.420 nan 0.000 0.278 570 P C -2.429 174.938 177.300 0.112 0.000 1.238 570 P CA -1.525 61.592 63.100 0.028 0.000 0.794 570 P CB 0.195 31.825 31.700 -0.117 0.000 0.955 571 P HA 0.030 nan 4.420 nan 0.000 0.270 571 P C -0.181 177.203 177.300 0.140 0.000 1.221 571 P CA 0.136 63.313 63.100 0.129 0.000 0.788 571 P CB 0.584 32.354 31.700 0.116 0.000 0.904 572 K N 1.033 121.481 120.400 0.080 0.000 2.436 572 K HA -0.013 4.308 4.320 0.001 0.000 0.275 572 K C 1.574 178.169 176.600 -0.007 0.000 0.999 572 K CA -0.146 56.177 56.287 0.060 0.000 0.980 572 K CB 0.339 32.858 32.500 0.032 0.000 0.919 572 K HN 0.311 nan 8.250 nan 0.000 0.484 573 R N 3.015 123.491 120.500 -0.040 0.000 2.112 573 R HA -0.240 4.101 4.340 0.001 0.000 0.242 573 R C 1.061 177.257 176.300 -0.174 0.000 1.137 573 R CA 2.305 58.294 56.100 -0.185 0.000 0.944 573 R CB -0.277 29.936 30.300 -0.146 0.000 0.857 573 R HN 0.693 nan 8.270 nan 0.000 0.435 574 E N 0.645 120.783 120.200 -0.103 0.000 2.204 574 E HA -0.124 4.226 4.350 0.001 0.000 0.195 574 E C 1.102 177.646 176.600 -0.093 0.000 0.990 574 E CA 1.190 57.533 56.400 -0.094 0.000 0.821 574 E CB -0.104 29.565 29.700 -0.051 0.000 0.750 574 E HN 0.398 nan 8.360 nan 0.000 0.477 575 E N -0.072 120.079 120.200 -0.080 0.000 2.403 575 E HA 0.128 4.479 4.350 0.001 0.000 0.187 575 E C -0.127 176.415 176.600 -0.098 0.000 1.073 575 E CA 0.198 56.567 56.400 -0.051 0.000 0.888 575 E CB -0.166 29.532 29.700 -0.003 0.000 1.035 575 E HN 0.363 nan 8.360 nan 0.000 0.471 576 M N 0.502 119.966 119.600 -0.226 0.000 2.253 576 M HA 0.242 4.722 4.480 0.001 0.000 0.314 576 M C -0.464 175.677 176.300 -0.264 0.000 1.019 576 M CA -0.711 54.336 55.300 -0.422 0.000 0.932 576 M CB 2.805 34.956 32.600 -0.748 0.000 1.606 576 M HN -0.342 nan 8.290 nan 0.000 0.430 577 V N 5.633 125.529 119.914 -0.029 0.000 2.276 577 V HA 0.109 4.230 4.120 0.001 0.000 0.249 577 V C 0.838 176.987 176.094 0.092 0.000 1.160 577 V CA -0.083 62.239 62.300 0.035 0.000 1.042 577 V CB -0.410 31.477 31.823 0.106 0.000 1.224 577 V HN 0.784 nan 8.190 nan 0.000 0.496 578 L N 3.546 124.722 121.223 -0.078 0.000 2.855 578 L HA 0.079 4.420 4.340 0.001 0.000 0.257 578 L C 0.801 177.744 176.870 0.123 0.000 1.206 578 L CA 0.480 55.303 54.840 -0.029 0.000 1.042 578 L CB -0.890 40.954 42.059 -0.358 0.000 1.321 578 L HN 0.787 nan 8.230 nan 0.000 0.417 579 D N -3.903 116.533 120.400 0.060 0.000 2.516 579 D HA -0.006 4.635 4.640 0.001 0.000 0.241 579 D C 0.255 176.374 176.300 -0.301 0.000 1.246 579 D CA -0.353 53.623 54.000 -0.039 0.000 0.808 579 D CB 0.324 41.145 40.800 0.035 0.000 1.147 579 D HN -0.003 nan 8.370 nan 0.000 0.527 580 D N 0.772 121.005 120.400 -0.278 0.000 2.456 580 D HA 0.117 4.757 4.640 0.001 0.000 0.287 580 D C 1.305 177.186 176.300 -0.698 0.000 1.186 580 D CA -0.215 53.561 54.000 -0.374 0.000 0.916 580 D CB 0.865 41.568 40.800 -0.163 0.000 1.029 580 D HN -0.007 nan 8.370 nan 0.000 0.498 581 S N 0.974 115.978 115.700 -1.160 0.000 2.428 581 S HA -0.327 4.143 4.470 0.001 0.000 0.240 581 S C 1.944 176.010 174.600 -0.891 0.000 1.036 581 S CA 1.531 58.733 58.200 -1.664 0.000 1.009 581 S CB -0.688 61.995 63.200 -0.861 0.000 0.803 581 S HN 0.425 nan 8.310 nan 0.000 0.486 582 S N 1.922 117.321 115.700 -0.501 0.000 2.469 582 S HA -0.032 4.438 4.470 0.001 0.000 0.238 582 S C 1.602 176.058 174.600 -0.241 0.000 0.998 582 S CA 0.552 58.583 58.200 -0.282 0.000 0.957 582 S CB -0.451 62.633 63.200 -0.194 0.000 0.764 582 S HN 0.734 nan 8.310 nan 0.000 0.514 583 R N -0.990 119.345 120.500 -0.275 0.000 2.397 583 R HA 0.326 4.667 4.340 0.001 0.000 0.241 583 R C 0.728 176.827 176.300 -0.334 0.000 0.914 583 R CA -0.221 55.696 56.100 -0.305 0.000 1.071 583 R CB -0.073 30.049 30.300 -0.297 0.000 1.116 583 R HN 0.317 nan 8.270 nan 0.000 0.524 584 F N 1.486 121.307 119.950 -0.215 0.000 2.134 584 F HA -0.114 4.414 4.527 0.001 0.000 0.299 584 F C 2.329 178.087 175.800 -0.071 0.000 1.097 584 F CA 0.880 58.863 58.000 -0.028 0.000 1.264 584 F CB -0.625 38.414 39.000 0.065 0.000 1.001 584 F HN 0.002 nan 8.300 nan 0.000 0.479 585 M N 0.064 119.720 119.600 0.093 0.000 2.202 585 M HA -0.242 4.238 4.480 0.001 0.000 0.262 585 M C 2.232 178.523 176.300 -0.016 0.000 1.063 585 M CA 1.750 57.070 55.300 0.035 0.000 1.097 585 M CB -0.283 32.313 32.600 -0.006 0.000 1.382 585 M HN 0.220 nan 8.290 nan 0.000 0.413 586 E N -0.488 119.627 120.200 -0.141 0.000 2.077 586 E HA -0.223 4.127 4.350 0.001 0.000 0.193 586 E C 1.507 178.060 176.600 -0.079 0.000 0.989 586 E CA 1.524 57.812 56.400 -0.186 0.000 0.800 586 E CB -0.141 29.337 29.700 -0.370 0.000 0.746 586 E HN 0.647 nan 8.360 nan 0.000 0.452 587 Y N 0.732 121.102 120.300 0.117 0.000 2.439 587 Y HA 0.040 4.591 4.550 0.001 0.000 0.292 587 Y C 0.898 176.852 175.900 0.090 0.000 1.130 587 Y CA 0.656 58.822 58.100 0.110 0.000 1.254 587 Y CB 0.054 38.589 38.460 0.125 0.000 1.000 587 Y HN 0.053 nan 8.280 nan 0.000 0.554 588 E N 0.704 121.020 120.200 0.193 0.000 2.434 588 E HA 0.142 4.492 4.350 0.001 0.000 0.243 588 E C 0.067 176.726 176.600 0.099 0.000 1.250 588 E CA -0.147 56.335 56.400 0.137 0.000 1.568 588 E CB -0.052 29.722 29.700 0.124 0.000 1.435 588 E HN 0.247 nan 8.360 nan 0.000 0.432 589 T N -2.936 111.676 114.554 0.098 0.000 2.927 589 T HA 0.296 4.647 4.350 0.001 0.000 0.286 589 T C 0.223 174.968 174.700 0.075 0.000 1.040 589 T CA -0.869 61.272 62.100 0.068 0.000 1.010 589 T CB 1.376 70.273 68.868 0.049 0.000 1.177 589 T HN 0.048 nan 8.240 nan 0.000 0.546 590 D N -0.297 120.130 120.400 0.045 0.000 2.689 590 D HA -0.136 4.505 4.640 0.001 0.000 0.237 590 D C -0.484 175.880 176.300 0.107 0.000 1.148 590 D CA 0.444 54.469 54.000 0.043 0.000 0.656 590 D CB -1.590 39.261 40.800 0.085 0.000 1.050 590 D HN 0.615 nan 8.370 nan 0.000 0.426 591 L N -0.688 120.590 121.223 0.092 0.000 2.454 591 L HA 0.540 4.880 4.340 0.001 0.000 0.256 591 L C 1.062 178.056 176.870 0.207 0.000 1.136 591 L CA -0.532 54.394 54.840 0.143 0.000 0.804 591 L CB 1.218 43.348 42.059 0.119 0.000 1.181 591 L HN -0.041 nan 8.230 nan 0.000 0.469 592 T N 0.893 115.581 114.554 0.224 0.000 2.786 592 T HA 0.302 4.652 4.350 0.001 0.000 0.283 592 T C -0.607 174.215 174.700 0.204 0.000 0.992 592 T CA -0.301 61.959 62.100 0.265 0.000 0.954 592 T CB 0.596 69.601 68.868 0.229 0.000 0.934 592 T HN 0.236 nan 8.240 nan 0.000 0.440 593 F N 4.547 124.558 119.950 0.102 0.000 2.504 593 F HA 0.276 4.804 4.527 0.001 0.000 0.369 593 F C 0.852 176.685 175.800 0.054 0.000 1.082 593 F CA 0.128 58.166 58.000 0.063 0.000 1.216 593 F CB 0.497 39.530 39.000 0.056 0.000 1.108 593 F HN 0.353 nan 8.300 nan 0.000 0.554 594 V N 4.947 124.473 119.914 -0.647 0.000 2.627 594 V HA 0.453 4.573 4.120 0.001 0.000 0.239 594 V C 1.125 176.816 176.094 -0.672 0.000 1.077 594 V CA 0.932 62.966 62.300 -0.443 0.000 1.103 594 V CB -0.152 31.498 31.823 -0.289 0.000 0.802 594 V HN 0.988 nan 8.190 nan 0.000 0.482 595 G N -0.998 107.148 108.800 -1.090 0.000 2.490 595 G HA2 0.531 4.491 3.960 0.001 0.000 0.308 595 G HA3 0.531 4.491 3.960 0.001 0.000 0.308 595 G C -2.184 172.286 174.900 -0.717 0.000 1.286 595 G CA -0.133 44.477 45.100 -0.817 0.000 0.825 595 G HN 0.016 nan 8.290 nan 0.000 0.479 596 V N 0.045 119.575 119.914 -0.640 0.000 2.808 596 V HA 0.698 4.819 4.120 0.001 0.000 0.308 596 V C -0.234 175.776 176.094 -0.139 0.000 1.099 596 V CA -0.659 61.386 62.300 -0.425 0.000 0.920 596 V CB 1.663 33.087 31.823 -0.665 0.000 1.014 596 V HN 1.294 nan 8.190 nan 0.000 0.425 597 V N 0.853 120.784 119.914 0.028 0.000 2.680 597 V HA 1.041 5.161 4.120 0.001 0.000 0.309 597 V C 0.220 176.436 176.094 0.204 0.000 1.052 597 V CA -0.515 61.859 62.300 0.123 0.000 0.908 597 V CB 1.669 33.507 31.823 0.023 0.000 1.001 597 V HN 1.021 nan 8.190 nan 0.000 0.431 598 G N 5.241 114.161 108.800 0.200 0.000 2.557 598 G HA2 0.691 4.651 3.960 0.001 0.000 0.310 598 G HA3 0.691 4.651 3.960 0.001 0.000 0.310 598 G C -0.674 174.222 174.900 -0.007 0.000 1.328 598 G CA -0.873 44.313 45.100 0.143 0.000 0.945 598 G HN 1.064 nan 8.290 nan 0.000 0.494 599 M N 1.651 121.258 119.600 0.012 0.000 2.664 599 M HA 0.846 5.326 4.480 0.001 0.000 0.314 599 M C -1.584 174.702 176.300 -0.024 0.000 1.200 599 M CA -1.218 54.071 55.300 -0.019 0.000 0.916 599 M CB 2.510 35.111 32.600 0.002 0.000 1.717 599 M HN 0.342 nan 8.290 nan 0.000 0.470 600 L N 1.514 122.710 121.223 -0.045 0.000 2.365 600 L HA 0.586 4.927 4.340 0.001 0.000 0.273 600 L C -1.517 175.326 176.870 -0.044 0.000 1.000 600 L CA 0.128 54.941 54.840 -0.046 0.000 0.819 600 L CB 1.871 43.890 42.059 -0.068 0.000 1.284 600 L HN 0.814 nan 8.230 nan 0.000 0.418 601 D N 6.389 126.771 120.400 -0.031 0.000 2.477 601 D HA 0.365 5.005 4.640 0.001 0.000 0.239 601 D C -2.550 173.729 176.300 -0.036 0.000 1.102 601 D CA -1.931 52.053 54.000 -0.028 0.000 0.901 601 D CB 1.057 41.852 40.800 -0.008 0.000 1.026 601 D HN 0.319 nan 8.370 nan 0.000 0.515 602 P HA 0.181 nan 4.420 nan 0.000 0.268 602 P C -2.616 174.661 177.300 -0.038 0.000 1.205 602 P CA -1.142 61.930 63.100 -0.046 0.000 0.771 602 P CB 0.406 32.072 31.700 -0.056 0.000 0.858 603 P HA 0.191 nan 4.420 nan 0.000 0.269 603 P C 0.223 177.509 177.300 -0.023 0.000 1.209 603 P CA 0.016 63.094 63.100 -0.037 0.000 0.776 603 P CB 0.368 32.042 31.700 -0.043 0.000 0.876 604 R N 2.207 122.701 120.500 -0.011 0.000 2.698 604 R HA -0.040 4.300 4.340 0.001 0.000 0.266 604 R C 1.796 178.100 176.300 0.006 0.000 1.026 604 R CA 0.513 56.617 56.100 0.007 0.000 1.102 604 R CB 0.064 30.386 30.300 0.035 0.000 0.978 604 R HN 0.493 nan 8.270 nan 0.000 0.436 605 K N 1.629 122.033 120.400 0.007 0.000 2.097 605 K HA -0.170 4.150 4.320 0.001 0.000 0.206 605 K C 0.344 176.954 176.600 0.016 0.000 1.049 605 K CA 1.793 58.083 56.287 0.005 0.000 0.933 605 K CB 0.050 32.551 32.500 0.003 0.000 0.717 605 K HN 0.488 nan 8.250 nan 0.000 0.442 606 E N 1.408 121.625 120.200 0.029 0.000 2.489 606 E HA -0.049 4.302 4.350 0.001 0.000 0.193 606 E C 1.867 178.510 176.600 0.071 0.000 1.057 606 E CA 0.590 57.015 56.400 0.042 0.000 0.866 606 E CB 0.276 30.001 29.700 0.041 0.000 0.916 606 E HN 0.351 nan 8.360 nan 0.000 0.500 607 V N -1.718 118.241 119.914 0.075 0.000 2.548 607 V HA -0.197 3.924 4.120 0.001 0.000 0.249 607 V C 1.918 178.048 176.094 0.061 0.000 1.055 607 V CA 1.035 63.401 62.300 0.109 0.000 1.065 607 V CB -0.473 31.373 31.823 0.039 0.000 0.681 607 V HN 0.146 nan 8.190 nan 0.000 0.462 608 M N 1.762 121.375 119.600 0.022 0.000 2.080 608 M HA -0.066 4.414 4.480 0.001 0.000 0.260 608 M C 2.412 178.729 176.300 0.028 0.000 1.068 608 M CA 2.374 57.679 55.300 0.008 0.000 1.109 608 M CB -1.887 30.714 32.600 0.001 0.000 1.342 608 M HN 0.540 nan 8.290 nan 0.000 0.405 609 G N -0.175 108.647 108.800 0.038 0.000 2.402 609 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 609 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 609 G C 1.672 176.609 174.900 0.060 0.000 1.162 609 G CA 1.016 46.140 45.100 0.039 0.000 0.777 609 G HN 0.492 nan 8.290 nan 0.000 0.539 610 S N 0.732 116.489 115.700 0.095 0.000 2.400 610 S HA -0.060 4.411 4.470 0.001 0.000 0.232 610 S C 2.199 176.911 174.600 0.186 0.000 1.025 610 S CA 0.674 58.955 58.200 0.135 0.000 0.993 610 S CB -0.123 63.197 63.200 0.200 0.000 0.808 610 S HN 0.264 nan 8.310 nan 0.000 0.478 611 I N 1.435 122.106 120.570 0.169 0.000 2.493 611 I HA -0.087 4.083 4.170 0.001 0.000 0.254 611 I C 2.529 178.688 176.117 0.070 0.000 1.160 611 I CA 1.101 62.472 61.300 0.119 0.000 1.445 611 I CB -0.961 37.044 38.000 0.009 0.000 1.086 611 I HN 0.311 nan 8.210 nan 0.000 0.433 612 Q N 0.628 120.460 119.800 0.053 0.000 2.049 612 Q HA -0.048 4.292 4.340 0.001 0.000 0.198 612 Q C 2.467 178.489 176.000 0.036 0.000 0.971 612 Q CA 1.032 56.856 55.803 0.035 0.000 0.833 612 Q CB -0.238 28.516 28.738 0.026 0.000 0.896 612 Q HN 0.472 nan 8.270 nan 0.000 0.434 613 L N -0.193 121.055 121.223 0.040 0.000 2.043 613 L HA -0.288 4.052 4.340 0.001 0.000 0.212 613 L C 2.581 179.469 176.870 0.030 0.000 1.075 613 L CA 1.149 56.007 54.840 0.029 0.000 0.752 613 L CB -0.459 41.613 42.059 0.022 0.000 0.891 613 L HN 0.287 nan 8.230 nan 0.000 0.432 614 C N -0.524 118.807 119.300 0.051 0.000 2.425 614 C HA -0.130 4.331 4.460 0.001 0.000 0.277 614 C C 2.824 177.837 174.990 0.039 0.000 1.280 614 C CA 0.559 59.608 59.018 0.052 0.000 1.744 614 C CB -1.007 26.794 27.740 0.103 0.000 1.989 614 C HN 0.458 nan 8.230 nan 0.000 0.491 615 R N 0.859 121.381 120.500 0.036 0.000 2.092 615 R HA -0.082 4.258 4.340 0.001 0.000 0.231 615 R C 1.468 177.780 176.300 0.020 0.000 1.119 615 R CA 1.306 57.421 56.100 0.025 0.000 0.970 615 R CB -0.340 29.974 30.300 0.022 0.000 0.864 615 R HN 0.544 nan 8.270 nan 0.000 0.440 616 D N 0.500 120.912 120.400 0.019 0.000 2.277 616 D HA -0.023 4.617 4.640 0.001 0.000 0.208 616 D C 1.209 177.516 176.300 0.013 0.000 0.962 616 D CA 0.911 54.919 54.000 0.015 0.000 0.865 616 D CB 0.183 40.991 40.800 0.014 0.000 0.939 616 D HN 0.243 nan 8.370 nan 0.000 0.510 617 A N -0.195 122.634 122.820 0.014 0.000 2.345 617 A HA 0.466 4.786 4.320 0.001 0.000 0.225 617 A C 1.625 179.215 177.584 0.011 0.000 1.243 617 A CA 0.648 52.691 52.037 0.010 0.000 0.875 617 A CB -0.084 18.920 19.000 0.007 0.000 0.929 617 A HN 0.159 nan 8.150 nan 0.000 0.502 618 G N -0.303 108.505 108.800 0.014 0.000 2.198 618 G HA2 -0.237 3.724 3.960 0.001 0.000 0.260 618 G HA3 -0.237 3.724 3.960 0.001 0.000 0.260 618 G C -0.008 174.901 174.900 0.016 0.000 1.025 618 G CA 0.512 45.620 45.100 0.014 0.000 0.769 618 G HN 0.518 nan 8.290 nan 0.000 0.507 619 I N 0.377 120.959 120.570 0.021 0.000 2.321 619 I HA 0.361 4.531 4.170 0.001 0.000 0.291 619 I C 1.026 177.166 176.117 0.038 0.000 0.998 619 I CA -0.883 60.434 61.300 0.027 0.000 1.227 619 I CB 1.250 39.266 38.000 0.028 0.000 1.368 619 I HN 0.033 nan 8.210 nan 0.000 0.466 620 R N 4.707 125.228 120.500 0.036 0.000 2.490 620 R HA 0.504 4.844 4.340 0.001 0.000 0.280 620 R C -1.156 175.176 176.300 0.054 0.000 1.077 620 R CA -0.313 55.807 56.100 0.034 0.000 1.065 620 R CB 1.253 31.570 30.300 0.028 0.000 1.003 620 R HN 0.399 nan 8.270 nan 0.000 0.470 621 V N 6.354 126.288 119.914 0.033 0.000 2.407 621 V HA 0.370 4.491 4.120 0.001 0.000 0.291 621 V C -0.024 176.052 176.094 -0.030 0.000 1.018 621 V CA -0.581 61.744 62.300 0.041 0.000 0.842 621 V CB 1.656 33.497 31.823 0.030 0.000 0.996 621 V HN 0.630 nan 8.190 nan 0.000 0.426 622 I N 5.457 126.036 120.570 0.015 0.000 2.354 622 I HA 0.474 4.644 4.170 0.001 0.000 0.292 622 I C -0.034 176.077 176.117 -0.009 0.000 0.989 622 I CA -0.307 60.998 61.300 0.009 0.000 1.188 622 I CB 1.670 39.747 38.000 0.128 0.000 1.342 622 I HN 0.556 nan 8.210 nan 0.000 0.457 623 M N 7.544 127.099 119.600 -0.074 0.000 2.157 623 M HA 0.527 5.008 4.480 0.001 0.000 0.354 623 M C -1.294 175.021 176.300 0.026 0.000 1.170 623 M CA -0.323 54.933 55.300 -0.073 0.000 1.060 623 M CB 1.044 33.547 32.600 -0.160 0.000 1.615 623 M HN 0.475 nan 8.290 nan 0.000 0.460 624 I N 4.093 124.690 120.570 0.044 0.000 2.362 624 I HA 0.406 4.577 4.170 0.001 0.000 0.289 624 I C -0.223 175.918 176.117 0.040 0.000 0.994 624 I CA -0.355 60.992 61.300 0.079 0.000 1.158 624 I CB 1.911 39.947 38.000 0.060 0.000 1.315 624 I HN 0.681 nan 8.210 nan 0.000 0.451 625 T N 2.763 117.348 114.554 0.050 0.000 2.843 625 T HA 0.462 4.812 4.350 0.001 0.000 0.302 625 T C 0.712 175.439 174.700 0.045 0.000 1.232 625 T CA -0.221 61.899 62.100 0.033 0.000 1.009 625 T CB 1.774 70.652 68.868 0.016 0.000 1.254 625 T HN 0.695 nan 8.240 nan 0.000 0.504 626 G N 0.986 109.808 108.800 0.037 0.000 2.880 626 G HA2 0.149 4.109 3.960 0.001 0.000 0.209 626 G HA3 0.149 4.109 3.960 0.001 0.000 0.209 626 G C 0.313 175.243 174.900 0.050 0.000 1.157 626 G CA -0.074 45.053 45.100 0.045 0.000 0.779 626 G HN 0.730 nan 8.290 nan 0.000 0.539 627 D N 1.089 121.514 120.400 0.042 0.000 2.390 627 D HA 0.009 4.649 4.640 0.001 0.000 0.236 627 D C 0.591 176.926 176.300 0.058 0.000 1.189 627 D CA 0.190 54.218 54.000 0.046 0.000 0.887 627 D CB 0.632 41.453 40.800 0.036 0.000 1.198 627 D HN 0.446 nan 8.370 nan 0.000 0.444 628 N N -0.198 118.540 118.700 0.063 0.000 2.371 628 N HA -0.034 4.706 4.740 0.001 0.000 0.243 628 N C 0.804 176.348 175.510 0.057 0.000 1.287 628 N CA -0.559 52.531 53.050 0.067 0.000 0.911 628 N CB 1.295 39.824 38.487 0.070 0.000 1.142 628 N HN 0.285 nan 8.380 nan 0.000 0.451 629 K N 0.357 120.788 120.400 0.052 0.000 2.009 629 K HA -0.158 4.163 4.320 0.001 0.000 0.210 629 K C 2.010 178.631 176.600 0.034 0.000 1.049 629 K CA 1.693 58.004 56.287 0.040 0.000 0.929 629 K CB -0.880 31.636 32.500 0.027 0.000 0.714 629 K HN 0.788 nan 8.250 nan 0.000 0.440 630 G N -0.256 108.563 108.800 0.032 0.000 2.442 630 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 630 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 630 G C 1.369 176.296 174.900 0.044 0.000 1.141 630 G CA 1.478 46.596 45.100 0.031 0.000 0.763 630 G HN 0.352 nan 8.290 nan 0.000 0.554 631 T N 1.063 115.647 114.554 0.050 0.000 3.014 631 T HA 0.260 4.610 4.350 0.001 0.000 0.263 631 T C 2.748 177.473 174.700 0.042 0.000 1.078 631 T CA 0.954 63.085 62.100 0.051 0.000 1.135 631 T CB -0.078 68.824 68.868 0.057 0.000 0.895 631 T HN 0.364 nan 8.240 nan 0.000 0.480 632 A N 1.493 124.338 122.820 0.042 0.000 1.873 632 A HA 0.022 4.343 4.320 0.001 0.000 0.215 632 A C 2.206 179.819 177.584 0.048 0.000 1.186 632 A CA 1.068 53.126 52.037 0.034 0.000 0.616 632 A CB -0.671 18.352 19.000 0.039 0.000 0.823 632 A HN 0.492 nan 8.150 nan 0.000 0.442 633 I N -0.223 120.398 120.570 0.086 0.000 2.163 633 I HA -0.262 3.909 4.170 0.001 0.000 0.240 633 I C 3.001 179.201 176.117 0.138 0.000 1.081 633 I CA 1.047 62.449 61.300 0.170 0.000 1.353 633 I CB -0.440 37.629 38.000 0.114 0.000 1.054 633 I HN 0.345 nan 8.210 nan 0.000 0.407 634 A N 1.054 123.920 122.820 0.077 0.000 1.948 634 A HA -0.212 4.109 4.320 0.001 0.000 0.220 634 A C 2.296 179.904 177.584 0.040 0.000 1.177 634 A CA 1.731 53.803 52.037 0.058 0.000 0.636 634 A CB -0.914 18.115 19.000 0.047 0.000 0.815 634 A HN 0.431 nan 8.150 nan 0.000 0.449 635 I N -1.086 119.497 120.570 0.022 0.000 2.315 635 I HA -0.271 3.899 4.170 0.001 0.000 0.248 635 I C 2.481 178.572 176.117 -0.043 0.000 1.117 635 I CA 0.801 62.093 61.300 -0.013 0.000 1.404 635 I CB -0.399 37.586 38.000 -0.026 0.000 1.071 635 I HN 0.390 nan 8.210 nan 0.000 0.419 636 C N 0.785 120.056 119.300 -0.049 0.000 2.432 636 C HA -0.146 4.315 4.460 0.001 0.000 0.277 636 C C 2.923 177.870 174.990 -0.070 0.000 1.249 636 C CA 0.880 59.803 59.018 -0.158 0.000 1.725 636 C CB -1.143 26.390 27.740 -0.345 0.000 2.028 636 C HN 0.424 nan 8.230 nan 0.000 0.477 637 R N 0.408 120.951 120.500 0.072 0.000 2.091 637 R HA -0.178 4.163 4.340 0.001 0.000 0.238 637 R C 2.366 178.679 176.300 0.023 0.000 1.136 637 R CA 1.666 57.820 56.100 0.090 0.000 0.959 637 R CB -0.461 29.898 30.300 0.099 0.000 0.856 637 R HN 0.569 nan 8.270 nan 0.000 0.437 638 R N 1.811 122.313 120.500 0.003 0.000 2.096 638 R HA -0.111 4.229 4.340 0.001 0.000 0.235 638 R C 2.086 178.368 176.300 -0.031 0.000 1.127 638 R CA 1.700 57.792 56.100 -0.013 0.000 0.968 638 R CB -0.237 30.053 30.300 -0.017 0.000 0.861 638 R HN 0.423 nan 8.270 nan 0.000 0.440 639 I N -3.734 116.802 120.570 -0.057 0.000 3.793 639 I HA 0.443 4.613 4.170 0.001 0.000 0.315 639 I C 0.892 176.967 176.117 -0.070 0.000 1.275 639 I CA 0.536 61.792 61.300 -0.073 0.000 1.214 639 I CB 0.809 38.739 38.000 -0.118 0.000 1.018 639 I HN 0.338 nan 8.210 nan 0.000 0.439 640 G N 1.901 110.668 108.800 -0.056 0.000 2.195 640 G HA2 -0.255 3.706 3.960 0.001 0.000 0.224 640 G HA3 -0.255 3.706 3.960 0.001 0.000 0.224 640 G C 0.719 175.579 174.900 -0.066 0.000 0.990 640 G CA 0.307 45.383 45.100 -0.039 0.000 0.639 640 G HN 0.438 nan 8.290 nan 0.000 0.514 641 I N -0.304 120.169 120.570 -0.160 0.000 2.286 641 I HA 0.099 4.269 4.170 0.001 0.000 0.248 641 I C 0.853 176.825 176.117 -0.242 0.000 1.115 641 I CA 1.124 62.252 61.300 -0.287 0.000 1.392 641 I CB -0.168 37.526 38.000 -0.510 0.000 1.065 641 I HN 0.111 nan 8.210 nan 0.000 0.418 642 F N -0.058 119.864 119.950 -0.046 0.000 2.561 642 F HA 0.554 5.081 4.527 0.001 0.000 0.321 642 F C 0.862 176.642 175.800 -0.034 0.000 1.065 642 F CA -1.689 56.285 58.000 -0.043 0.000 0.934 642 F CB 0.800 39.769 39.000 -0.051 0.000 1.215 642 F HN -0.261 nan 8.300 nan 0.000 0.471 643 G N 0.294 109.208 108.800 0.189 0.000 2.569 643 G HA2 0.135 4.095 3.960 0.001 0.000 0.249 643 G HA3 0.135 4.095 3.960 0.001 0.000 0.249 643 G C 0.681 175.619 174.900 0.063 0.000 1.216 643 G CA -0.283 44.867 45.100 0.083 0.000 0.845 643 G HN 0.839 nan 8.290 nan 0.000 0.568 644 E N 0.230 120.452 120.200 0.036 0.000 2.267 644 E HA -0.116 4.234 4.350 0.001 0.000 0.197 644 E C 0.781 177.385 176.600 0.007 0.000 0.998 644 E CA 1.111 57.525 56.400 0.024 0.000 0.830 644 E CB 0.136 29.845 29.700 0.014 0.000 0.751 644 E HN 0.515 nan 8.360 nan 0.000 0.491 645 N N 0.460 119.157 118.700 -0.005 0.000 2.167 645 N HA 0.008 4.749 4.740 0.001 0.000 0.234 645 N C -1.062 174.420 175.510 -0.048 0.000 1.312 645 N CA 0.045 53.080 53.050 -0.025 0.000 0.861 645 N CB 0.650 39.125 38.487 -0.020 0.000 1.217 645 N HN 0.251 nan 8.380 nan 0.000 0.504 646 E N 0.804 120.972 120.200 -0.055 0.000 2.354 646 E HA 0.157 4.507 4.350 0.001 0.000 0.269 646 E C -0.084 176.416 176.600 -0.167 0.000 1.036 646 E CA -0.413 55.934 56.400 -0.088 0.000 0.876 646 E CB 1.183 30.844 29.700 -0.065 0.000 1.009 646 E HN -0.158 nan 8.360 nan 0.000 0.416 647 E N 2.493 122.598 120.200 -0.157 0.000 2.344 647 E HA 0.042 4.392 4.350 0.001 0.000 0.270 647 E C -0.088 176.333 176.600 -0.298 0.000 1.021 647 E CA -0.139 56.145 56.400 -0.193 0.000 0.887 647 E CB 1.471 31.091 29.700 -0.133 0.000 0.997 647 E HN 0.559 nan 8.360 nan 0.000 0.429 648 V N 1.560 121.232 119.914 -0.405 0.000 3.172 648 V HA 0.391 4.511 4.120 0.001 0.000 0.343 648 V C 1.206 177.042 176.094 -0.430 0.000 1.429 648 V CA 0.257 62.202 62.300 -0.591 0.000 1.149 648 V CB 0.098 31.107 31.823 -1.356 0.000 1.106 648 V HN 0.519 nan 8.190 nan 0.000 0.526 649 A N 2.009 124.649 122.820 -0.299 0.000 1.978 649 A HA -0.185 4.135 4.320 0.001 0.000 0.220 649 A C 1.673 179.055 177.584 -0.337 0.000 1.170 649 A CA 2.164 54.039 52.037 -0.270 0.000 0.636 649 A CB -0.408 18.484 19.000 -0.181 0.000 0.810 649 A HN 0.847 nan 8.150 nan 0.000 0.448 650 D N -2.015 118.239 120.400 -0.242 0.000 2.525 650 D HA 0.132 4.773 4.640 0.001 0.000 0.229 650 D C 0.820 177.099 176.300 -0.035 0.000 1.202 650 D CA -0.154 53.763 54.000 -0.138 0.000 0.828 650 D CB -0.076 40.729 40.800 0.009 0.000 1.008 650 D HN 0.496 nan 8.370 nan 0.000 0.493 651 R N -0.393 119.999 120.500 -0.180 0.000 2.539 651 R HA 0.407 4.747 4.340 0.001 0.000 0.342 651 R C -0.160 176.151 176.300 0.018 0.000 0.941 651 R CA -0.159 55.947 56.100 0.010 0.000 1.146 651 R CB 1.723 32.034 30.300 0.019 0.000 1.541 651 R HN 0.107 nan 8.270 nan 0.000 0.525 652 A N 0.829 123.483 122.820 -0.277 0.000 2.375 652 A HA 0.703 5.024 4.320 0.001 0.000 0.295 652 A C -1.592 175.707 177.584 -0.475 0.000 1.066 652 A CA -0.447 51.466 52.037 -0.207 0.000 0.722 652 A CB 0.819 19.776 19.000 -0.071 0.000 1.206 652 A HN 0.148 nan 8.150 nan 0.000 0.435 653 Y N 0.356 120.579 120.300 -0.130 0.000 2.524 653 Y HA 0.608 5.158 4.550 0.001 0.000 0.347 653 Y C 0.918 176.874 175.900 0.094 0.000 1.005 653 Y CA -0.372 57.743 58.100 0.023 0.000 1.025 653 Y CB 2.406 40.956 38.460 0.150 0.000 1.275 653 Y HN 0.770 nan 8.280 nan 0.000 0.460 654 T N -2.273 112.433 114.554 0.252 0.000 2.902 654 T HA 0.392 4.743 4.350 0.001 0.000 0.280 654 T C 1.307 176.112 174.700 0.174 0.000 0.992 654 T CA -0.148 62.060 62.100 0.179 0.000 1.015 654 T CB 1.452 70.401 68.868 0.134 0.000 1.044 654 T HN 0.837 nan 8.240 nan 0.000 0.520 655 G N 0.690 109.534 108.800 0.074 0.000 2.440 655 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 655 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 655 G C 1.691 176.687 174.900 0.160 0.000 1.154 655 G CA 0.261 45.328 45.100 -0.054 0.000 0.767 655 G HN 0.625 nan 8.290 nan 0.000 0.552 656 R N 0.945 121.553 120.500 0.180 0.000 2.070 656 R HA -0.036 4.304 4.340 0.001 0.000 0.233 656 R C 2.523 178.938 176.300 0.191 0.000 1.137 656 R CA 1.738 57.944 56.100 0.178 0.000 0.945 656 R CB -0.896 29.484 30.300 0.133 0.000 0.845 656 R HN 0.563 nan 8.270 nan 0.000 0.430 657 E N -0.994 119.331 120.200 0.209 0.000 2.118 657 E HA -0.213 4.137 4.350 0.001 0.000 0.195 657 E C 1.841 178.605 176.600 0.273 0.000 0.992 657 E CA 1.359 57.901 56.400 0.237 0.000 0.804 657 E CB -0.308 29.565 29.700 0.289 0.000 0.741 657 E HN 0.257 nan 8.360 nan 0.000 0.458 658 F N 1.975 122.005 119.950 0.132 0.000 2.234 658 F HA -0.148 4.379 4.527 0.001 0.000 0.299 658 F C 1.648 177.488 175.800 0.066 0.000 1.087 658 F CA 1.281 59.309 58.000 0.045 0.000 1.340 658 F CB 0.198 39.188 39.000 -0.017 0.000 1.031 658 F HN -0.107 nan 8.300 nan 0.000 0.500 659 D N -0.120 120.441 120.400 0.268 0.000 2.224 659 D HA -0.127 4.514 4.640 0.001 0.000 0.205 659 D C 1.518 177.855 176.300 0.062 0.000 0.965 659 D CA 1.046 55.160 54.000 0.189 0.000 0.852 659 D CB -0.349 40.600 40.800 0.249 0.000 0.947 659 D HN 0.338 nan 8.370 nan 0.000 0.494 660 D N 0.138 120.575 120.400 0.063 0.000 2.269 660 D HA 0.020 4.660 4.640 0.001 0.000 0.208 660 D C 0.621 176.909 176.300 -0.020 0.000 0.963 660 D CA 0.260 54.279 54.000 0.033 0.000 0.864 660 D CB 0.184 41.020 40.800 0.058 0.000 0.936 660 D HN 0.185 nan 8.370 nan 0.000 0.505 661 L N 2.315 123.485 121.223 -0.088 0.000 2.380 661 L HA 0.244 4.584 4.340 0.001 0.000 0.273 661 L C -1.901 174.868 176.870 -0.168 0.000 1.138 661 L CA -1.752 52.996 54.840 -0.154 0.000 0.832 661 L CB 0.559 42.439 42.059 -0.297 0.000 1.124 661 L HN -0.107 nan 8.230 nan 0.000 0.454 662 P HA 0.030 nan 4.420 nan 0.000 0.272 662 P C 0.692 177.918 177.300 -0.124 0.000 1.230 662 P CA -0.574 62.473 63.100 -0.089 0.000 0.788 662 P CB 1.046 32.712 31.700 -0.056 0.000 0.949 663 L N 2.115 123.299 121.223 -0.065 0.000 2.103 663 L HA -0.275 4.065 4.340 0.001 0.000 0.215 663 L C 2.721 179.545 176.870 -0.077 0.000 1.080 663 L CA 2.800 57.626 54.840 -0.024 0.000 0.764 663 L CB -1.952 40.140 42.059 0.054 0.000 0.890 663 L HN 0.487 nan 8.230 nan 0.000 0.435 664 A N -1.077 121.702 122.820 -0.068 0.000 1.902 664 A HA -0.209 4.112 4.320 0.001 0.000 0.217 664 A C 2.228 179.735 177.584 -0.127 0.000 1.181 664 A CA 1.711 53.705 52.037 -0.071 0.000 0.623 664 A CB -0.457 18.519 19.000 -0.040 0.000 0.818 664 A HN 0.540 nan 8.150 nan 0.000 0.443 665 E N -0.417 119.690 120.200 -0.154 0.000 2.208 665 E HA -0.156 4.194 4.350 0.001 0.000 0.193 665 E C 2.179 178.586 176.600 -0.321 0.000 0.988 665 E CA 0.884 57.175 56.400 -0.180 0.000 0.828 665 E CB -0.142 29.472 29.700 -0.144 0.000 0.763 665 E HN 0.724 nan 8.360 nan 0.000 0.478 666 Q N 0.463 119.970 119.800 -0.488 0.000 2.119 666 Q HA -0.141 4.200 4.340 0.001 0.000 0.201 666 Q C 2.206 177.755 176.000 -0.752 0.000 0.972 666 Q CA 0.906 56.227 55.803 -0.804 0.000 0.847 666 Q CB -0.107 28.059 28.738 -0.952 0.000 0.903 666 Q HN 0.133 nan 8.270 nan 0.000 0.433 667 R N 1.018 121.018 120.500 -0.833 0.000 2.070 667 R HA -0.195 4.145 4.340 0.001 0.000 0.233 667 R C 1.934 178.197 176.300 -0.060 0.000 1.137 667 R CA 1.594 57.319 56.100 -0.625 0.000 0.945 667 R CB 0.033 30.174 30.300 -0.265 0.000 0.845 667 R HN 0.073 nan 8.270 nan 0.000 0.430 668 E N 0.140 120.316 120.200 -0.040 0.000 2.077 668 E HA -0.127 4.223 4.350 0.001 0.000 0.193 668 E C 1.748 178.341 176.600 -0.013 0.000 0.989 668 E CA 1.546 57.966 56.400 0.034 0.000 0.800 668 E CB -0.196 29.508 29.700 0.007 0.000 0.746 668 E HN 0.485 nan 8.360 nan 0.000 0.452 669 A N -0.260 122.512 122.820 -0.080 0.000 1.948 669 A HA -0.255 4.066 4.320 0.001 0.000 0.220 669 A C 2.407 180.026 177.584 0.059 0.000 1.177 669 A CA 1.694 53.678 52.037 -0.089 0.000 0.636 669 A CB -0.944 17.841 19.000 -0.360 0.000 0.815 669 A HN 0.484 nan 8.150 nan 0.000 0.449 670 C N -0.468 118.918 119.300 0.143 0.000 2.468 670 C HA 0.011 4.472 4.460 0.001 0.000 0.277 670 C C 2.785 177.839 174.990 0.108 0.000 1.400 670 C CA 0.727 59.897 59.018 0.253 0.000 1.770 670 C CB -1.242 26.706 27.740 0.346 0.000 1.905 670 C HN 0.789 nan 8.230 nan 0.000 0.519 671 R N 2.144 122.616 120.500 -0.046 0.000 2.148 671 R HA -0.083 4.258 4.340 0.001 0.000 0.223 671 R C 1.941 178.164 176.300 -0.129 0.000 1.088 671 R CA 1.616 57.547 56.100 -0.282 0.000 0.985 671 R CB -0.391 29.507 30.300 -0.671 0.000 0.880 671 R HN 0.664 nan 8.270 nan 0.000 0.451 672 R N -0.023 120.456 120.500 -0.035 0.000 2.344 672 R HA 0.392 4.732 4.340 0.001 0.000 0.209 672 R C 0.336 176.670 176.300 0.058 0.000 0.886 672 R CA 0.228 56.334 56.100 0.009 0.000 1.040 672 R CB 0.346 30.657 30.300 0.020 0.000 1.114 672 R HN 0.083 nan 8.270 nan 0.000 0.547 673 A N 0.705 123.562 122.820 0.063 0.000 2.407 673 A HA 0.330 4.650 4.320 0.001 0.000 0.248 673 A C 0.413 177.971 177.584 -0.043 0.000 1.082 673 A CA -0.372 51.670 52.037 0.008 0.000 0.785 673 A CB 0.473 19.367 19.000 -0.176 0.000 1.020 673 A HN 0.521 nan 8.150 nan 0.000 0.489 674 C N 0.205 119.473 119.300 -0.054 0.000 3.785 674 C HA 0.376 4.837 4.460 0.001 0.000 0.312 674 C C 0.314 175.145 174.990 -0.265 0.000 1.566 674 C CA -0.426 58.496 59.018 -0.159 0.000 1.837 674 C CB -1.212 26.377 27.740 -0.252 0.000 2.826 674 C HN 0.842 nan 8.230 nan 0.000 0.667 675 C N 1.617 120.773 119.300 -0.240 0.000 2.505 675 C HA 0.727 5.187 4.460 0.001 0.000 0.342 675 C C -1.655 173.170 174.990 -0.276 0.000 1.121 675 C CA -0.373 58.533 59.018 -0.186 0.000 1.306 675 C CB -0.561 27.161 27.740 -0.029 0.000 1.897 675 C HN 0.432 nan 8.230 nan 0.000 0.446 676 F N 4.635 124.590 119.950 0.009 0.000 2.460 676 F HA 0.658 5.185 4.527 0.001 0.000 0.341 676 F C 0.537 176.327 175.800 -0.017 0.000 1.130 676 F CA -0.219 57.772 58.000 -0.014 0.000 0.962 676 F CB 1.625 40.568 39.000 -0.095 0.000 1.171 676 F HN 0.781 nan 8.300 nan 0.000 0.436 677 A N 3.799 126.722 122.820 0.172 0.000 2.304 677 A HA 0.766 5.086 4.320 0.001 0.000 0.323 677 A C 0.097 177.744 177.584 0.105 0.000 1.195 677 A CA -0.879 51.225 52.037 0.110 0.000 0.826 677 A CB 0.558 19.607 19.000 0.082 0.000 1.184 677 A HN 0.863 nan 8.150 nan 0.000 0.496 678 R N -0.479 120.074 120.500 0.089 0.000 2.877 678 R HA -0.127 4.213 4.340 0.001 0.000 0.275 678 R C -0.273 176.087 176.300 0.100 0.000 0.924 678 R CA 0.848 57.003 56.100 0.092 0.000 0.715 678 R CB -2.198 28.160 30.300 0.097 0.000 1.761 678 R HN 1.186 nan 8.270 nan 0.000 0.498 679 V N -2.036 117.938 119.914 0.101 0.000 2.960 679 V HA 0.671 4.792 4.120 0.001 0.000 0.315 679 V C 0.493 176.727 176.094 0.233 0.000 1.087 679 V CA -1.144 61.272 62.300 0.193 0.000 0.982 679 V CB 2.524 34.354 31.823 0.012 0.000 1.039 679 V HN 0.132 nan 8.190 nan 0.000 0.437 680 E N 2.093 122.486 120.200 0.322 0.000 2.292 680 E HA 0.428 4.779 4.350 0.001 0.000 0.258 680 E C -2.010 174.567 176.600 -0.039 0.000 1.115 680 E CA -2.394 54.022 56.400 0.027 0.000 0.929 680 E CB 0.922 30.562 29.700 -0.100 0.000 1.161 680 E HN 0.469 nan 8.360 nan 0.000 0.453 681 P HA -0.177 nan 4.420 nan 0.000 0.216 681 P C 1.336 178.572 177.300 -0.107 0.000 1.150 681 P CA 1.983 65.034 63.100 -0.081 0.000 0.837 681 P CB 0.130 31.775 31.700 -0.092 0.000 0.786 682 S N -1.616 113.985 115.700 -0.165 0.000 2.400 682 S HA -0.276 4.195 4.470 0.001 0.000 0.232 682 S C 1.754 176.253 174.600 -0.168 0.000 1.025 682 S CA 1.426 59.517 58.200 -0.182 0.000 0.993 682 S CB -1.791 61.271 63.200 -0.229 0.000 0.808 682 S HN 0.317 nan 8.310 nan 0.000 0.478 683 H N 1.561 120.565 119.070 -0.110 0.000 2.352 683 H HA 0.029 4.586 4.556 0.001 0.000 0.299 683 H C 2.360 177.536 175.328 -0.254 0.000 1.097 683 H CA 1.683 57.609 56.048 -0.204 0.000 1.311 683 H CB -0.065 29.519 29.762 -0.296 0.000 1.377 683 H HN 0.394 nan 8.280 nan 0.000 0.504 684 K N 0.104 120.454 120.400 -0.083 0.000 2.074 684 K HA -0.150 4.171 4.320 0.001 0.000 0.209 684 K C 2.513 179.062 176.600 -0.086 0.000 1.048 684 K CA 1.436 57.659 56.287 -0.106 0.000 0.926 684 K CB -0.122 32.336 32.500 -0.070 0.000 0.713 684 K HN 0.105 nan 8.250 nan 0.000 0.444 685 S N 0.842 116.497 115.700 -0.076 0.000 2.356 685 S HA -0.121 4.349 4.470 0.001 0.000 0.223 685 S C 1.730 176.278 174.600 -0.087 0.000 1.032 685 S CA 1.348 59.504 58.200 -0.073 0.000 1.005 685 S CB -0.015 63.140 63.200 -0.075 0.000 0.867 685 S HN 0.257 nan 8.310 nan 0.000 0.449 686 K N 0.509 120.859 120.400 -0.084 0.000 2.097 686 K HA -0.002 4.319 4.320 0.001 0.000 0.206 686 K C 1.936 178.507 176.600 -0.048 0.000 1.049 686 K CA 1.152 57.370 56.287 -0.115 0.000 0.933 686 K CB -0.305 32.222 32.500 0.044 0.000 0.717 686 K HN 0.323 nan 8.250 nan 0.000 0.442 687 I N 0.540 121.097 120.570 -0.021 0.000 2.163 687 I HA -0.304 3.867 4.170 0.001 0.000 0.243 687 I C 2.203 178.371 176.117 0.085 0.000 1.085 687 I CA 1.116 62.431 61.300 0.024 0.000 1.347 687 I CB -0.284 37.588 38.000 -0.214 0.000 1.044 687 I HN -0.070 nan 8.210 nan 0.000 0.408 688 V N 0.596 120.516 119.914 0.009 0.000 2.287 688 V HA -0.309 3.811 4.120 0.001 0.000 0.248 688 V C 2.378 178.485 176.094 0.021 0.000 1.053 688 V CA 2.098 64.411 62.300 0.021 0.000 1.027 688 V CB -0.676 31.141 31.823 -0.010 0.000 0.646 688 V HN 0.445 nan 8.190 nan 0.000 0.447 689 E N -0.963 119.204 120.200 -0.056 0.000 2.085 689 E HA -0.248 4.102 4.350 0.001 0.000 0.194 689 E C 2.182 178.758 176.600 -0.040 0.000 0.994 689 E CA 1.834 58.169 56.400 -0.107 0.000 0.801 689 E CB -0.261 29.291 29.700 -0.247 0.000 0.743 689 E HN 0.678 nan 8.360 nan 0.000 0.453 690 Y N 0.099 120.447 120.300 0.079 0.000 2.242 690 Y HA -0.150 4.401 4.550 0.001 0.000 0.291 690 Y C 2.026 178.050 175.900 0.206 0.000 1.137 690 Y CA 0.625 58.800 58.100 0.124 0.000 1.181 690 Y CB -0.270 38.311 38.460 0.201 0.000 0.989 690 Y HN 0.043 nan 8.280 nan 0.000 0.527 691 L N -0.240 121.192 121.223 0.349 0.000 2.109 691 L HA -0.169 4.171 4.340 0.001 0.000 0.207 691 L C 2.139 179.152 176.870 0.237 0.000 1.086 691 L CA 1.578 56.608 54.840 0.317 0.000 0.760 691 L CB -1.094 41.087 42.059 0.202 0.000 0.910 691 L HN 0.251 nan 8.230 nan 0.000 0.437 692 Q N -1.150 118.733 119.800 0.138 0.000 2.291 692 Q HA -0.113 4.227 4.340 0.001 0.000 0.205 692 Q C 2.066 178.097 176.000 0.052 0.000 0.970 692 Q CA 1.320 57.170 55.803 0.077 0.000 0.876 692 Q CB -0.188 28.568 28.738 0.030 0.000 0.935 692 Q HN 0.612 nan 8.270 nan 0.000 0.455 693 S N -0.895 114.822 115.700 0.029 0.000 2.607 693 S HA -0.059 4.411 4.470 0.001 0.000 0.224 693 S C 0.789 175.257 174.600 -0.219 0.000 0.969 693 S CA 0.293 58.431 58.200 -0.104 0.000 0.927 693 S CB 0.010 63.120 63.200 -0.151 0.000 0.772 693 S HN 0.360 nan 8.310 nan 0.000 0.533 694 Y N 1.331 121.673 120.300 0.069 0.000 2.612 694 Y HA 0.314 4.865 4.550 0.001 0.000 0.250 694 Y C 0.298 176.223 175.900 0.042 0.000 1.175 694 Y CA -0.888 57.245 58.100 0.056 0.000 1.205 694 Y CB 0.224 38.722 38.460 0.064 0.000 1.201 694 Y HN 0.161 nan 8.280 nan 0.000 0.532 695 D N -0.252 120.231 120.400 0.139 0.000 3.079 695 D HA -0.179 4.461 4.640 0.001 0.000 0.214 695 D C -0.370 175.983 176.300 0.088 0.000 1.145 695 D CA 0.801 54.854 54.000 0.089 0.000 0.958 695 D CB -0.594 40.249 40.800 0.071 0.000 1.117 695 D HN 0.399 nan 8.370 nan 0.000 0.416 696 E N -0.037 120.235 120.200 0.120 0.000 2.415 696 E HA 0.170 4.521 4.350 0.001 0.000 0.262 696 E C 0.654 177.288 176.600 0.057 0.000 1.038 696 E CA 0.035 56.488 56.400 0.089 0.000 0.921 696 E CB 0.689 30.455 29.700 0.110 0.000 0.950 696 E HN 0.152 nan 8.360 nan 0.000 0.438 697 I N 2.280 122.871 120.570 0.035 0.000 2.307 697 I HA 0.064 4.235 4.170 0.001 0.000 0.287 697 I C 0.177 176.307 176.117 0.022 0.000 1.054 697 I CA 0.067 61.376 61.300 0.016 0.000 1.218 697 I CB 0.895 38.891 38.000 -0.007 0.000 1.398 697 I HN 0.152 nan 8.210 nan 0.000 0.475 698 T N 5.614 120.185 114.554 0.028 0.000 2.837 698 T HA 0.741 5.091 4.350 0.001 0.000 0.285 698 T C 0.047 174.760 174.700 0.021 0.000 0.984 698 T CA -0.589 61.531 62.100 0.034 0.000 1.049 698 T CB 1.266 70.162 68.868 0.047 0.000 0.947 698 T HN 0.586 nan 8.240 nan 0.000 0.472 699 A N 3.523 126.358 122.820 0.025 0.000 2.304 699 A HA 0.809 5.129 4.320 0.001 0.000 0.323 699 A C -0.494 177.110 177.584 0.034 0.000 1.195 699 A CA -0.777 51.270 52.037 0.017 0.000 0.826 699 A CB 0.792 19.795 19.000 0.006 0.000 1.184 699 A HN 0.769 nan 8.150 nan 0.000 0.496 700 M N 2.812 122.427 119.600 0.025 0.000 2.327 700 M HA 0.523 5.004 4.480 0.001 0.000 0.298 700 M C -0.030 176.285 176.300 0.026 0.000 1.065 700 M CA -0.061 55.256 55.300 0.029 0.000 0.916 700 M CB 1.992 34.600 32.600 0.014 0.000 1.630 700 M HN 0.776 nan 8.290 nan 0.000 0.442 701 T N 1.385 115.962 114.554 0.038 0.000 2.902 701 T HA 1.003 5.354 4.350 0.001 0.000 0.280 701 T C 0.152 174.864 174.700 0.021 0.000 0.992 701 T CA -0.137 61.984 62.100 0.035 0.000 1.015 701 T CB 1.474 70.378 68.868 0.060 0.000 1.044 701 T HN 1.120 nan 8.240 nan 0.000 0.520 702 G N -0.021 108.789 108.800 0.016 0.000 2.523 702 G HA2 0.518 4.478 3.960 0.001 0.000 0.291 702 G HA3 0.518 4.478 3.960 0.001 0.000 0.291 702 G C -0.843 174.061 174.900 0.008 0.000 1.450 702 G CA -0.168 44.936 45.100 0.006 0.000 0.790 702 G HN 0.749 nan 8.290 nan 0.000 0.496 703 D N -1.595 118.806 120.400 0.002 0.000 2.042 703 D HA 0.164 4.804 4.640 0.001 0.000 0.351 703 D C 1.121 177.421 176.300 0.000 0.000 1.053 703 D CA 0.793 54.796 54.000 0.006 0.000 0.903 703 D CB 0.003 40.809 40.800 0.010 0.000 1.749 703 D HN 0.887 nan 8.370 nan 0.000 0.537 704 G N 0.931 109.722 108.800 -0.016 0.000 2.547 704 G HA2 0.400 4.361 3.960 0.001 0.000 0.291 704 G HA3 0.400 4.361 3.960 0.001 0.000 0.291 704 G C 1.066 175.940 174.900 -0.044 0.000 1.211 704 G CA -0.246 44.833 45.100 -0.035 0.000 0.950 704 G HN -0.039 nan 8.290 nan 0.000 0.504 705 V N 1.297 121.164 119.914 -0.079 0.000 2.568 705 V HA -0.176 3.944 4.120 0.001 0.000 0.253 705 V C 2.569 178.616 176.094 -0.077 0.000 1.072 705 V CA 1.947 64.199 62.300 -0.080 0.000 1.084 705 V CB -0.533 31.183 31.823 -0.178 0.000 0.676 705 V HN 0.858 nan 8.190 nan 0.000 0.469 706 N N -0.598 118.046 118.700 -0.094 0.000 2.550 706 N HA -0.128 4.612 4.740 0.001 0.000 0.186 706 N C 1.015 176.486 175.510 -0.066 0.000 1.110 706 N CA 1.043 54.038 53.050 -0.092 0.000 0.912 706 N CB -0.256 38.163 38.487 -0.112 0.000 0.968 706 N HN 0.460 nan 8.380 nan 0.000 0.448 707 D N 0.816 121.187 120.400 -0.049 0.000 2.327 707 D HA 0.156 4.796 4.640 0.001 0.000 0.205 707 D C 1.815 178.098 176.300 -0.029 0.000 0.989 707 D CA 0.401 54.380 54.000 -0.035 0.000 0.873 707 D CB 0.155 40.941 40.800 -0.023 0.000 0.955 707 D HN 0.292 nan 8.370 nan 0.000 0.515 708 A N 2.403 125.208 122.820 -0.025 0.000 1.896 708 A HA -0.194 4.126 4.320 0.001 0.000 0.220 708 A C -0.247 177.324 177.584 -0.021 0.000 1.206 708 A CA 1.734 53.761 52.037 -0.016 0.000 0.647 708 A CB -1.647 17.348 19.000 -0.009 0.000 0.828 708 A HN 0.186 nan 8.150 nan 0.000 0.455 709 P HA -0.172 nan 4.420 nan 0.000 0.214 709 P C 1.820 179.101 177.300 -0.032 0.000 1.163 709 P CA 2.196 65.277 63.100 -0.032 0.000 0.889 709 P CB -0.208 31.467 31.700 -0.042 0.000 0.790 710 A N -0.651 122.147 122.820 -0.036 0.000 1.877 710 A HA -0.175 4.145 4.320 0.001 0.000 0.216 710 A C 2.282 179.853 177.584 -0.022 0.000 1.186 710 A CA 1.530 53.547 52.037 -0.033 0.000 0.620 710 A CB -1.750 17.227 19.000 -0.038 0.000 0.822 710 A HN 0.093 nan 8.150 nan 0.000 0.443 711 L N -0.748 120.464 121.223 -0.018 0.000 2.081 711 L HA -0.248 4.092 4.340 0.001 0.000 0.212 711 L C 2.661 179.523 176.870 -0.012 0.000 1.080 711 L CA 2.081 56.915 54.840 -0.011 0.000 0.754 711 L CB -0.379 41.675 42.059 -0.008 0.000 0.893 711 L HN 0.494 nan 8.230 nan 0.000 0.433 712 K N 0.390 120.782 120.400 -0.015 0.000 2.103 712 K HA -0.197 4.123 4.320 0.001 0.000 0.204 712 K C 2.224 178.814 176.600 -0.016 0.000 1.052 712 K CA 1.135 57.413 56.287 -0.015 0.000 0.945 712 K CB 0.110 32.601 32.500 -0.015 0.000 0.722 712 K HN 0.062 nan 8.250 nan 0.000 0.443 713 K N 0.540 120.929 120.400 -0.020 0.000 2.025 713 K HA -0.012 4.309 4.320 0.001 0.000 0.207 713 K C 0.223 176.814 176.600 -0.015 0.000 1.049 713 K CA 0.841 57.115 56.287 -0.021 0.000 0.933 713 K CB -0.167 32.315 32.500 -0.029 0.000 0.714 713 K HN 0.218 nan 8.250 nan 0.000 0.438 714 A N 1.348 124.161 122.820 -0.011 0.000 2.531 714 A HA -0.021 4.300 4.320 0.001 0.000 0.236 714 A C 0.532 178.113 177.584 -0.005 0.000 1.062 714 A CA -0.064 51.971 52.037 -0.003 0.000 0.760 714 A CB 0.277 19.278 19.000 0.001 0.000 0.995 714 A HN 0.369 nan 8.150 nan 0.000 0.501 715 E N 0.684 120.883 120.200 -0.003 0.000 2.160 715 E HA -0.097 4.254 4.350 0.001 0.000 0.195 715 E C -0.271 176.322 176.600 -0.012 0.000 0.991 715 E CA 1.431 57.826 56.400 -0.008 0.000 0.810 715 E CB -0.188 29.506 29.700 -0.009 0.000 0.742 715 E HN 0.617 nan 8.360 nan 0.000 0.466 716 I N 0.184 120.749 120.570 -0.009 0.000 2.521 716 I HA 0.291 4.462 4.170 0.001 0.000 0.277 716 I C 0.155 176.268 176.117 -0.007 0.000 1.054 716 I CA -0.524 60.769 61.300 -0.011 0.000 1.117 716 I CB 1.886 39.876 38.000 -0.016 0.000 1.217 716 I HN -0.122 nan 8.210 nan 0.000 0.469 717 G N 6.667 115.463 108.800 -0.007 0.000 2.370 717 G HA2 0.648 4.608 3.960 0.001 0.000 0.272 717 G HA3 0.648 4.608 3.960 0.001 0.000 0.272 717 G C -0.371 174.527 174.900 -0.004 0.000 1.208 717 G CA -0.227 44.870 45.100 -0.004 0.000 0.856 717 G HN 0.489 nan 8.290 nan 0.000 0.500 718 I N 1.941 122.512 120.570 0.001 0.000 2.410 718 I HA 0.469 4.639 4.170 0.001 0.000 0.286 718 I C 0.481 176.602 176.117 0.007 0.000 1.009 718 I CA -0.662 60.639 61.300 0.001 0.000 1.111 718 I CB 1.893 39.894 38.000 0.001 0.000 1.262 718 I HN 0.554 nan 8.210 nan 0.000 0.443 719 A N 7.364 130.187 122.820 0.005 0.000 2.294 719 A HA 0.833 5.153 4.320 0.001 0.000 0.330 719 A C -0.240 177.351 177.584 0.012 0.000 1.133 719 A CA -0.695 51.347 52.037 0.009 0.000 0.836 719 A CB 1.036 20.040 19.000 0.008 0.000 1.190 719 A HN 0.579 nan 8.150 nan 0.000 0.492 720 M N 1.685 121.294 119.600 0.016 0.000 2.211 720 M HA 0.218 4.698 4.480 0.001 0.000 0.356 720 M C 1.554 177.864 176.300 0.016 0.000 1.216 720 M CA -0.308 55.003 55.300 0.019 0.000 1.134 720 M CB 0.555 33.168 32.600 0.022 0.000 1.564 720 M HN 0.902 nan 8.290 nan 0.000 0.463 721 G N 1.223 110.032 108.800 0.015 0.000 2.432 721 G HA2 -0.147 3.814 3.960 0.001 0.000 0.219 721 G HA3 -0.147 3.814 3.960 0.001 0.000 0.219 721 G C 1.183 176.092 174.900 0.015 0.000 1.135 721 G CA 1.052 46.160 45.100 0.013 0.000 0.767 721 G HN 0.746 nan 8.290 nan 0.000 0.550 722 S N -0.002 115.709 115.700 0.017 0.000 2.671 722 S HA 0.457 4.927 4.470 0.001 0.000 0.220 722 S C 1.162 175.775 174.600 0.021 0.000 0.951 722 S CA 0.184 58.395 58.200 0.019 0.000 0.932 722 S CB 0.293 63.505 63.200 0.020 0.000 0.777 722 S HN 0.445 nan 8.310 nan 0.000 0.508 723 G N 1.431 110.244 108.800 0.021 0.000 2.568 723 G HA2 0.510 4.470 3.960 0.001 0.000 0.293 723 G HA3 0.510 4.470 3.960 0.001 0.000 0.293 723 G C -0.019 174.900 174.900 0.033 0.000 1.347 723 G CA -0.238 44.877 45.100 0.024 0.000 1.039 723 G HN 0.453 nan 8.290 nan 0.000 0.523 724 T N -2.698 111.881 114.554 0.041 0.000 2.856 724 T HA 0.412 4.762 4.350 0.001 0.000 0.306 724 T C 1.561 176.299 174.700 0.063 0.000 1.062 724 T CA 0.431 62.574 62.100 0.072 0.000 1.083 724 T CB 1.390 70.317 68.868 0.098 0.000 0.984 724 T HN 0.880 nan 8.240 nan 0.000 0.542 725 A N 1.639 124.501 122.820 0.071 0.000 2.014 725 A HA 0.096 4.416 4.320 0.001 0.000 0.218 725 A C 2.331 179.943 177.584 0.046 0.000 1.163 725 A CA 1.077 53.137 52.037 0.039 0.000 0.652 725 A CB -0.956 18.051 19.000 0.011 0.000 0.808 725 A HN 0.737 nan 8.150 nan 0.000 0.449 726 V N -0.090 119.879 119.914 0.093 0.000 2.295 726 V HA -0.252 3.868 4.120 0.001 0.000 0.246 726 V C 3.064 179.187 176.094 0.049 0.000 1.049 726 V CA 1.924 64.278 62.300 0.090 0.000 1.024 726 V CB -1.206 30.719 31.823 0.169 0.000 0.648 726 V HN 0.596 nan 8.190 nan 0.000 0.447 727 A N -0.170 122.675 122.820 0.043 0.000 1.902 727 A HA -0.250 4.070 4.320 0.001 0.000 0.217 727 A C 2.273 179.866 177.584 0.015 0.000 1.181 727 A CA 2.054 54.103 52.037 0.021 0.000 0.623 727 A CB -0.427 18.583 19.000 0.016 0.000 0.818 727 A HN 0.574 nan 8.150 nan 0.000 0.443 728 K N -0.514 119.896 120.400 0.017 0.000 1.985 728 K HA -0.138 4.183 4.320 0.001 0.000 0.210 728 K C 2.185 178.787 176.600 0.002 0.000 1.047 728 K CA 1.930 58.221 56.287 0.008 0.000 0.932 728 K CB -0.712 31.793 32.500 0.007 0.000 0.716 728 K HN 0.694 nan 8.250 nan 0.000 0.439 729 T N -0.846 113.710 114.554 0.002 0.000 2.946 729 T HA -0.067 4.284 4.350 0.001 0.000 0.271 729 T C 1.704 176.401 174.700 -0.006 0.000 1.104 729 T CA 1.114 63.210 62.100 -0.006 0.000 1.114 729 T CB -0.144 68.720 68.868 -0.007 0.000 0.867 729 T HN 0.205 nan 8.240 nan 0.000 0.513 730 A N 1.049 123.869 122.820 -0.000 0.000 2.308 730 A HA 0.525 4.845 4.320 0.001 0.000 0.217 730 A C 1.296 178.877 177.584 -0.006 0.000 1.216 730 A CA 0.017 52.052 52.037 -0.003 0.000 0.864 730 A CB -0.024 18.976 19.000 -0.000 0.000 0.902 730 A HN 0.650 nan 8.150 nan 0.000 0.499 731 S N -1.294 114.402 115.700 -0.005 0.000 2.621 731 S HA 0.551 5.021 4.470 0.001 0.000 0.302 731 S C 0.211 174.805 174.600 -0.009 0.000 1.093 731 S CA -0.418 57.778 58.200 -0.006 0.000 1.017 731 S CB 1.562 64.760 63.200 -0.003 0.000 1.077 731 S HN 0.069 nan 8.310 nan 0.000 0.517 732 E N 0.413 120.607 120.200 -0.010 0.000 2.170 732 E HA 0.268 4.619 4.350 0.001 0.000 0.191 732 E C 0.346 176.939 176.600 -0.011 0.000 0.981 732 E CA 0.748 57.141 56.400 -0.012 0.000 0.830 732 E CB 0.071 29.763 29.700 -0.013 0.000 0.775 732 E HN 0.728 nan 8.360 nan 0.000 0.470 733 M N -0.285 119.308 119.600 -0.011 0.000 2.550 733 M HA 0.440 4.920 4.480 0.001 0.000 0.292 733 M C -1.765 174.530 176.300 -0.008 0.000 1.221 733 M CA -0.828 54.465 55.300 -0.011 0.000 0.873 733 M CB 2.093 34.683 32.600 -0.017 0.000 1.727 733 M HN -0.292 nan 8.290 nan 0.000 0.459 734 V N 4.504 124.414 119.914 -0.007 0.000 2.531 734 V HA 0.438 4.559 4.120 0.001 0.000 0.301 734 V C -0.718 175.374 176.094 -0.003 0.000 1.034 734 V CA -0.710 61.589 62.300 -0.002 0.000 0.865 734 V CB 1.895 33.718 31.823 0.000 0.000 0.995 734 V HN 0.770 nan 8.190 nan 0.000 0.424 735 L N 4.188 125.411 121.223 -0.000 0.000 2.282 735 L HA 0.407 4.748 4.340 0.001 0.000 0.287 735 L C 1.608 178.481 176.870 0.005 0.000 1.075 735 L CA -0.290 54.550 54.840 -0.001 0.000 0.839 735 L CB 0.996 43.056 42.059 0.002 0.000 1.219 735 L HN 0.828 nan 8.230 nan 0.000 0.434 736 A N 2.653 125.475 122.820 0.003 0.000 2.024 736 A HA -0.204 4.117 4.320 0.001 0.000 0.220 736 A C 1.596 179.185 177.584 0.009 0.000 1.164 736 A CA 1.943 53.983 52.037 0.006 0.000 0.643 736 A CB -0.310 18.693 19.000 0.004 0.000 0.806 736 A HN 0.881 nan 8.150 nan 0.000 0.451 737 D N -2.844 117.562 120.400 0.010 0.000 2.398 737 D HA 0.109 4.749 4.640 0.001 0.000 0.210 737 D C -0.212 176.102 176.300 0.022 0.000 1.094 737 D CA 0.583 54.592 54.000 0.015 0.000 0.839 737 D CB -0.213 40.595 40.800 0.013 0.000 0.963 737 D HN 0.250 nan 8.370 nan 0.000 0.506 738 D N -0.122 120.292 120.400 0.023 0.000 3.006 738 D HA -0.241 4.399 4.640 0.001 0.000 0.208 738 D C -0.188 176.143 176.300 0.051 0.000 1.116 738 D CA 0.817 54.837 54.000 0.034 0.000 0.998 738 D CB -2.118 38.703 40.800 0.035 0.000 1.124 738 D HN 0.556 nan 8.370 nan 0.000 0.413 739 N N -0.543 118.185 118.700 0.046 0.000 2.497 739 N HA 0.150 4.891 4.740 0.001 0.000 0.268 739 N C 1.161 176.728 175.510 0.095 0.000 1.171 739 N CA -0.348 52.745 53.050 0.071 0.000 0.948 739 N CB 0.267 38.783 38.487 0.047 0.000 1.069 739 N HN -0.029 nan 8.380 nan 0.000 0.460 740 F N 3.188 123.135 119.950 -0.005 0.000 2.126 740 F HA -0.201 4.326 4.527 0.001 0.000 0.299 740 F C 2.217 178.013 175.800 -0.006 0.000 1.096 740 F CA 1.468 59.464 58.000 -0.006 0.000 1.255 740 F CB -0.252 38.741 39.000 -0.011 0.000 0.997 740 F HN 0.470 nan 8.300 nan 0.000 0.479 741 S N -0.351 115.371 115.700 0.038 0.000 2.387 741 S HA -0.224 4.246 4.470 0.001 0.000 0.230 741 S C 1.910 176.427 174.600 -0.138 0.000 1.035 741 S CA 1.802 59.964 58.200 -0.063 0.000 1.014 741 S CB -0.724 62.497 63.200 0.036 0.000 0.836 741 S HN 0.530 nan 8.310 nan 0.000 0.466 742 T N 2.384 116.881 114.554 -0.095 0.000 2.849 742 T HA -0.027 4.323 4.350 0.001 0.000 0.270 742 T C 1.616 176.233 174.700 -0.140 0.000 1.066 742 T CA 0.990 63.039 62.100 -0.086 0.000 1.130 742 T CB -0.384 68.455 68.868 -0.048 0.000 0.864 742 T HN 0.366 nan 8.240 nan 0.000 0.481 743 I N 0.571 120.995 120.570 -0.243 0.000 2.133 743 I HA -0.145 4.025 4.170 0.001 0.000 0.238 743 I C 2.486 178.436 176.117 -0.278 0.000 1.074 743 I CA 0.962 62.090 61.300 -0.287 0.000 1.342 743 I CB -0.605 37.113 38.000 -0.471 0.000 1.053 743 I HN 0.064 nan 8.210 nan 0.000 0.404 744 V N 1.340 121.025 119.914 -0.382 0.000 2.324 744 V HA -0.343 3.777 4.120 0.001 0.000 0.250 744 V C 2.718 178.734 176.094 -0.131 0.000 1.060 744 V CA 2.148 64.303 62.300 -0.242 0.000 1.042 744 V CB -1.171 30.521 31.823 -0.218 0.000 0.650 744 V HN 0.534 nan 8.190 nan 0.000 0.450 745 A N -0.268 122.484 122.820 -0.114 0.000 1.972 745 A HA -0.044 4.276 4.320 0.001 0.000 0.219 745 A C 2.371 179.922 177.584 -0.056 0.000 1.169 745 A CA 1.933 53.931 52.037 -0.065 0.000 0.635 745 A CB -0.605 18.365 19.000 -0.051 0.000 0.810 745 A HN 0.587 nan 8.150 nan 0.000 0.446 746 A N -0.769 122.007 122.820 -0.072 0.000 1.968 746 A HA 0.120 4.440 4.320 0.001 0.000 0.217 746 A C 2.164 179.719 177.584 -0.048 0.000 1.169 746 A CA 1.439 53.443 52.037 -0.054 0.000 0.638 746 A CB -0.646 18.318 19.000 -0.060 0.000 0.812 746 A HN 0.316 nan 8.150 nan 0.000 0.446 747 V N 0.094 119.969 119.914 -0.065 0.000 2.358 747 V HA -0.253 3.867 4.120 0.001 0.000 0.246 747 V C 2.518 178.593 176.094 -0.031 0.000 1.047 747 V CA 2.285 64.554 62.300 -0.052 0.000 1.035 747 V CB -0.573 31.212 31.823 -0.065 0.000 0.658 747 V HN 0.800 nan 8.190 nan 0.000 0.452 748 E N 0.243 120.425 120.200 -0.030 0.000 2.051 748 E HA -0.312 4.038 4.350 0.001 0.000 0.192 748 E C 2.180 178.778 176.600 -0.003 0.000 0.991 748 E CA 1.671 58.063 56.400 -0.013 0.000 0.799 748 E CB -0.121 29.571 29.700 -0.013 0.000 0.748 748 E HN 0.571 nan 8.360 nan 0.000 0.449 749 E N -0.072 120.124 120.200 -0.007 0.000 2.130 749 E HA -0.147 4.204 4.350 0.001 0.000 0.196 749 E C 1.820 178.426 176.600 0.010 0.000 0.998 749 E CA 1.680 58.081 56.400 0.003 0.000 0.806 749 E CB -0.710 28.988 29.700 -0.003 0.000 0.738 749 E HN 0.386 nan 8.360 nan 0.000 0.459 750 G N -0.042 108.759 108.800 0.002 0.000 2.408 750 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 750 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 750 G C 1.641 176.562 174.900 0.035 0.000 1.150 750 G CA 0.659 45.765 45.100 0.011 0.000 0.776 750 G HN 0.187 nan 8.290 nan 0.000 0.542 751 R N 0.428 120.944 120.500 0.027 0.000 2.073 751 R HA 0.019 4.359 4.340 0.001 0.000 0.234 751 R C 3.013 179.351 176.300 0.064 0.000 1.134 751 R CA 1.216 57.346 56.100 0.049 0.000 0.952 751 R CB -0.387 29.929 30.300 0.026 0.000 0.850 751 R HN 0.335 nan 8.270 nan 0.000 0.433 752 A N 0.905 123.747 122.820 0.037 0.000 1.969 752 A HA -0.105 4.216 4.320 0.001 0.000 0.218 752 A C 2.087 179.683 177.584 0.019 0.000 1.169 752 A CA 1.111 53.163 52.037 0.026 0.000 0.635 752 A CB -0.379 18.634 19.000 0.022 0.000 0.810 752 A HN 0.193 nan 8.150 nan 0.000 0.445 753 I N -2.400 118.190 120.570 0.033 0.000 2.333 753 I HA -0.174 3.996 4.170 0.001 0.000 0.246 753 I C 2.401 178.525 176.117 0.011 0.000 1.106 753 I CA 1.173 62.486 61.300 0.022 0.000 1.411 753 I CB -0.338 37.682 38.000 0.034 0.000 1.082 753 I HN 0.470 nan 8.210 nan 0.000 0.420 754 Y N 2.425 122.682 120.300 -0.072 0.000 2.145 754 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 754 Y C 2.431 178.252 175.900 -0.131 0.000 1.145 754 Y CA 1.596 59.635 58.100 -0.103 0.000 1.148 754 Y CB -0.451 37.964 38.460 -0.075 0.000 0.981 754 Y HN 0.188 nan 8.280 nan 0.000 0.507 755 N N 0.585 119.204 118.700 -0.137 0.000 2.104 755 N HA -0.202 4.539 4.740 0.001 0.000 0.190 755 N C 1.376 176.726 175.510 -0.266 0.000 1.024 755 N CA 1.618 54.547 53.050 -0.201 0.000 0.853 755 N CB -0.606 37.844 38.487 -0.063 0.000 1.008 755 N HN 0.430 nan 8.380 nan 0.000 0.424 756 N N 0.761 119.340 118.700 -0.202 0.000 2.142 756 N HA 0.008 4.748 4.740 0.001 0.000 0.186 756 N C 1.809 177.072 175.510 -0.413 0.000 1.023 756 N CA 0.652 53.591 53.050 -0.186 0.000 0.852 756 N CB -0.268 38.175 38.487 -0.073 0.000 0.998 756 N HN 0.312 nan 8.380 nan 0.000 0.424 757 M N 0.688 119.924 119.600 -0.606 0.000 2.149 757 M HA -0.132 4.349 4.480 0.001 0.000 0.261 757 M C 1.839 177.388 176.300 -1.253 0.000 1.064 757 M CA 1.327 55.844 55.300 -1.305 0.000 1.102 757 M CB -0.180 31.977 32.600 -0.739 0.000 1.369 757 M HN 0.093 nan 8.290 nan 0.000 0.408 758 K N -0.161 119.721 120.400 -0.864 0.000 2.063 758 K HA -0.180 4.140 4.320 0.001 0.000 0.208 758 K C 2.095 178.450 176.600 -0.409 0.000 1.048 758 K CA 1.171 57.075 56.287 -0.638 0.000 0.928 758 K CB -0.120 32.041 32.500 -0.566 0.000 0.713 758 K HN 0.317 nan 8.250 nan 0.000 0.442 759 Q N 0.017 119.617 119.800 -0.334 0.000 2.084 759 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 759 Q C 1.964 177.937 176.000 -0.045 0.000 0.978 759 Q CA 1.468 57.187 55.803 -0.140 0.000 0.844 759 Q CB -0.314 28.369 28.738 -0.091 0.000 0.898 759 Q HN 0.479 nan 8.270 nan 0.000 0.426 760 F N -1.865 118.036 119.950 -0.081 0.000 2.710 760 F HA 0.214 4.742 4.527 0.001 0.000 0.298 760 F C 1.686 177.471 175.800 -0.024 0.000 1.137 760 F CA -0.056 57.934 58.000 -0.017 0.000 1.444 760 F CB -0.595 38.365 39.000 -0.066 0.000 1.111 760 F HN -0.087 nan 8.300 nan 0.000 0.580 761 I N 0.534 121.020 120.570 -0.140 0.000 2.400 761 I HA -0.082 4.088 4.170 0.001 0.000 0.248 761 I C 2.439 178.464 176.117 -0.152 0.000 1.109 761 I CA 0.615 61.840 61.300 -0.124 0.000 1.425 761 I CB -0.301 37.519 38.000 -0.301 0.000 1.094 761 I HN 0.030 nan 8.210 nan 0.000 0.425 762 R N -0.191 120.221 120.500 -0.147 0.000 2.115 762 R HA -0.190 4.150 4.340 0.001 0.000 0.230 762 R C 2.310 178.443 176.300 -0.279 0.000 1.111 762 R CA 1.346 57.329 56.100 -0.195 0.000 0.976 762 R CB -0.523 29.786 30.300 0.015 0.000 0.870 762 R HN 0.350 nan 8.270 nan 0.000 0.445 763 Y N 1.698 121.883 120.300 -0.192 0.000 2.163 763 Y HA -0.125 4.425 4.550 0.001 0.000 0.288 763 Y C 1.882 177.684 175.900 -0.163 0.000 1.136 763 Y CA 1.297 59.305 58.100 -0.153 0.000 1.147 763 Y CB -0.288 38.152 38.460 -0.034 0.000 0.987 763 Y HN -0.100 nan 8.280 nan 0.000 0.509 764 L N -0.579 120.489 121.223 -0.258 0.000 2.072 764 L HA -0.156 4.184 4.340 0.001 0.000 0.205 764 L C 2.467 179.150 176.870 -0.311 0.000 1.079 764 L CA 1.218 55.847 54.840 -0.351 0.000 0.752 764 L CB -0.469 41.505 42.059 -0.143 0.000 0.906 764 L HN 0.209 nan 8.230 nan 0.000 0.436 765 I N -0.751 119.644 120.570 -0.291 0.000 2.315 765 I HA -0.297 3.874 4.170 0.001 0.000 0.248 765 I C 2.846 178.778 176.117 -0.308 0.000 1.117 765 I CA 1.269 62.401 61.300 -0.280 0.000 1.404 765 I CB -0.181 37.599 38.000 -0.368 0.000 1.071 765 I HN 0.268 nan 8.210 nan 0.000 0.419 766 S N 0.643 116.061 115.700 -0.470 0.000 2.359 766 S HA -0.237 4.233 4.470 0.001 0.000 0.224 766 S C 2.323 176.736 174.600 -0.312 0.000 1.035 766 S CA 2.130 60.012 58.200 -0.530 0.000 1.018 766 S CB -0.451 62.251 63.200 -0.830 0.000 0.876 766 S HN 0.596 nan 8.310 nan 0.000 0.448 767 S N 1.267 116.769 115.700 -0.330 0.000 2.399 767 S HA -0.113 4.357 4.470 0.001 0.000 0.231 767 S C 1.604 176.108 174.600 -0.161 0.000 1.022 767 S CA 1.539 59.590 58.200 -0.249 0.000 0.983 767 S CB -1.084 61.912 63.200 -0.341 0.000 0.803 767 S HN 0.737 nan 8.310 nan 0.000 0.480 768 N N 1.200 119.809 118.700 -0.151 0.000 2.142 768 N HA 0.002 4.742 4.740 0.001 0.000 0.186 768 N C 1.662 177.136 175.510 -0.060 0.000 1.023 768 N CA 1.254 54.257 53.050 -0.079 0.000 0.852 768 N CB -0.474 37.993 38.487 -0.034 0.000 0.998 768 N HN 0.227 nan 8.380 nan 0.000 0.424 769 V N 0.694 120.558 119.914 -0.082 0.000 2.252 769 V HA -0.240 3.880 4.120 0.001 0.000 0.249 769 V C 2.392 178.460 176.094 -0.045 0.000 1.056 769 V CA 2.240 64.499 62.300 -0.068 0.000 1.022 769 V CB -1.317 30.444 31.823 -0.104 0.000 0.641 769 V HN 0.472 nan 8.190 nan 0.000 0.445 770 G N -0.972 107.796 108.800 -0.053 0.000 2.446 770 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 770 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 770 G C 1.461 176.352 174.900 -0.015 0.000 1.168 770 G CA 0.967 46.051 45.100 -0.026 0.000 0.771 770 G HN 0.575 nan 8.290 nan 0.000 0.551 771 E N -0.253 119.931 120.200 -0.026 0.000 2.085 771 E HA -0.115 4.235 4.350 0.001 0.000 0.194 771 E C 2.734 179.339 176.600 0.008 0.000 0.994 771 E CA 1.093 57.485 56.400 -0.012 0.000 0.801 771 E CB -0.123 29.564 29.700 -0.021 0.000 0.743 771 E HN 0.317 nan 8.360 nan 0.000 0.453 772 V N 0.584 120.502 119.914 0.006 0.000 2.358 772 V HA -0.224 3.896 4.120 0.001 0.000 0.246 772 V C 2.311 178.453 176.094 0.080 0.000 1.047 772 V CA 1.212 63.528 62.300 0.026 0.000 1.035 772 V CB -0.313 31.508 31.823 -0.004 0.000 0.658 772 V HN 0.143 nan 8.190 nan 0.000 0.452 773 V N -0.476 119.481 119.914 0.071 0.000 2.282 773 V HA -0.363 3.758 4.120 0.001 0.000 0.249 773 V C 2.622 178.782 176.094 0.111 0.000 1.057 773 V CA 2.420 64.791 62.300 0.119 0.000 1.032 773 V CB -0.829 31.036 31.823 0.070 0.000 0.645 773 V HN 0.820 nan 8.190 nan 0.000 0.447 774 C N 0.113 119.447 119.300 0.057 0.000 2.413 774 C HA -0.161 4.299 4.460 0.001 0.000 0.276 774 C C 2.541 177.561 174.990 0.051 0.000 1.248 774 C CA 1.019 60.059 59.018 0.036 0.000 1.742 774 C CB -1.049 26.699 27.740 0.015 0.000 2.017 774 C HN 0.528 nan 8.230 nan 0.000 0.481 775 I N 0.011 120.621 120.570 0.068 0.000 2.353 775 I HA -0.017 4.153 4.170 0.001 0.000 0.248 775 I C 2.309 178.499 176.117 0.121 0.000 1.119 775 I CA 1.457 62.798 61.300 0.067 0.000 1.417 775 I CB -1.600 36.429 38.000 0.048 0.000 1.078 775 I HN 0.336 nan 8.210 nan 0.000 0.421 776 F N 1.527 121.480 119.950 0.005 0.000 2.259 776 F HA -0.067 4.461 4.527 0.001 0.000 0.298 776 F C 2.297 178.121 175.800 0.040 0.000 1.088 776 F CA 1.113 59.126 58.000 0.023 0.000 1.358 776 F CB -0.295 38.718 39.000 0.021 0.000 1.040 776 F HN -0.114 nan 8.300 nan 0.000 0.505 777 L N -0.643 120.544 121.223 -0.060 0.000 2.027 777 L HA -0.172 4.168 4.340 0.001 0.000 0.206 777 L C 2.030 178.837 176.870 -0.104 0.000 1.074 777 L CA 1.787 56.547 54.840 -0.134 0.000 0.745 777 L CB -0.636 41.408 42.059 -0.025 0.000 0.898 777 L HN 0.085 nan 8.230 nan 0.000 0.433 778 T N -1.162 113.379 114.554 -0.022 0.000 3.509 778 T HA 0.192 4.542 4.350 0.001 0.000 0.250 778 T C 0.772 175.511 174.700 0.064 0.000 1.076 778 T CA 0.696 62.815 62.100 0.030 0.000 0.966 778 T CB -0.089 68.811 68.868 0.055 0.000 1.046 778 T HN 0.443 nan 8.240 nan 0.000 0.591 779 A N -0.803 122.011 122.820 -0.010 0.000 2.263 779 A HA 0.750 5.070 4.320 0.001 0.000 0.200 779 A C 2.020 179.597 177.584 -0.012 0.000 1.428 779 A CA 0.562 52.634 52.037 0.058 0.000 1.050 779 A CB -0.260 18.769 19.000 0.049 0.000 1.226 779 A HN 0.499 nan 8.150 nan 0.000 0.501 780 A N -0.442 122.258 122.820 -0.199 0.000 2.115 780 A HA 0.433 4.753 4.320 0.001 0.000 0.211 780 A C 1.495 179.020 177.584 -0.098 0.000 1.169 780 A CA 0.559 52.471 52.037 -0.209 0.000 0.787 780 A CB -0.219 18.529 19.000 -0.421 0.000 0.858 780 A HN 0.333 nan 8.150 nan 0.000 0.474 781 L N -0.667 120.517 121.223 -0.066 0.000 2.628 781 L HA 0.210 4.550 4.340 0.001 0.000 0.229 781 L C 1.541 178.414 176.870 0.005 0.000 1.137 781 L CA 0.414 55.236 54.840 -0.029 0.000 0.909 781 L CB -0.169 41.878 42.059 -0.020 0.000 1.137 781 L HN 0.507 nan 8.230 nan 0.000 0.470 782 G N 1.375 110.202 108.800 0.044 0.000 2.296 782 G HA2 -0.303 3.657 3.960 0.001 0.000 0.282 782 G HA3 -0.303 3.657 3.960 0.001 0.000 0.282 782 G C 0.282 175.216 174.900 0.056 0.000 1.014 782 G CA 0.350 45.486 45.100 0.060 0.000 0.812 782 G HN 0.300 nan 8.290 nan 0.000 0.508 783 L N -0.224 121.050 121.223 0.085 0.000 2.439 783 L HA 0.434 4.774 4.340 0.001 0.000 0.261 783 L C -1.585 175.362 176.870 0.128 0.000 1.153 783 L CA -2.272 52.603 54.840 0.058 0.000 0.808 783 L CB 0.772 42.858 42.059 0.046 0.000 1.126 783 L HN -0.097 nan 8.230 nan 0.000 0.460 784 P HA 0.042 nan 4.420 nan 0.000 0.272 784 P C -0.989 176.407 177.300 0.160 0.000 1.223 784 P CA -0.482 62.701 63.100 0.139 0.000 0.784 784 P CB 0.367 32.078 31.700 0.018 0.000 0.923 785 E N 1.158 121.458 120.200 0.167 0.000 2.652 785 E HA -0.074 4.276 4.350 0.001 0.000 0.255 785 E C 0.804 177.462 176.600 0.097 0.000 0.952 785 E CA 0.450 56.913 56.400 0.104 0.000 0.947 785 E CB 0.371 30.116 29.700 0.075 0.000 0.912 785 E HN 0.452 nan 8.360 nan 0.000 0.489 786 A N 4.586 127.449 122.820 0.072 0.000 1.997 786 A HA 0.137 4.458 4.320 0.001 0.000 0.212 786 A C 0.776 178.374 177.584 0.024 0.000 1.178 786 A CA 0.471 52.541 52.037 0.055 0.000 0.698 786 A CB 0.467 19.496 19.000 0.048 0.000 0.842 786 A HN 0.493 nan 8.150 nan 0.000 0.458 787 L N 0.612 121.851 121.223 0.027 0.000 2.431 787 L HA 0.557 4.898 4.340 0.001 0.000 0.266 787 L C -0.840 176.050 176.870 0.034 0.000 0.978 787 L CA -0.762 54.094 54.840 0.026 0.000 0.822 787 L CB 2.249 44.321 42.059 0.021 0.000 1.310 787 L HN 0.425 nan 8.230 nan 0.000 0.409 788 I N -0.549 120.049 120.570 0.048 0.000 2.693 788 I HA 0.542 4.712 4.170 0.001 0.000 0.303 788 I C -1.840 174.323 176.117 0.076 0.000 1.025 788 I CA -2.169 59.162 61.300 0.052 0.000 1.086 788 I CB 2.051 40.081 38.000 0.050 0.000 1.268 788 I HN 0.326 nan 8.210 nan 0.000 0.440 789 P HA -0.284 nan 4.420 nan 0.000 0.219 789 P C 1.742 179.123 177.300 0.136 0.000 1.161 789 P CA 1.614 64.765 63.100 0.085 0.000 0.909 789 P CB 0.091 31.833 31.700 0.069 0.000 0.793 790 V N -0.155 119.848 119.914 0.147 0.000 2.568 790 V HA -0.267 3.854 4.120 0.001 0.000 0.253 790 V C 2.551 178.899 176.094 0.424 0.000 1.072 790 V CA 2.061 64.496 62.300 0.225 0.000 1.084 790 V CB -1.019 30.857 31.823 0.088 0.000 0.676 790 V HN 0.150 nan 8.190 nan 0.000 0.469 791 Q N -0.753 119.242 119.800 0.324 0.000 2.096 791 Q HA -0.034 4.306 4.340 0.001 0.000 0.197 791 Q C 2.236 178.372 176.000 0.226 0.000 0.964 791 Q CA 1.487 57.458 55.803 0.279 0.000 0.838 791 Q CB -0.160 28.670 28.738 0.152 0.000 0.906 791 Q HN 0.553 nan 8.270 nan 0.000 0.444 792 L N 0.568 121.889 121.223 0.164 0.000 1.994 792 L HA -0.213 4.127 4.340 0.001 0.000 0.208 792 L C 2.371 179.320 176.870 0.132 0.000 1.071 792 L CA 1.093 56.001 54.840 0.113 0.000 0.745 792 L CB -0.547 41.556 42.059 0.073 0.000 0.892 792 L HN 0.243 nan 8.230 nan 0.000 0.431 793 L N -0.965 120.359 121.223 0.167 0.000 2.043 793 L HA -0.297 4.043 4.340 0.001 0.000 0.212 793 L C 2.531 179.515 176.870 0.189 0.000 1.075 793 L CA 1.591 56.527 54.840 0.160 0.000 0.752 793 L CB -0.639 41.531 42.059 0.184 0.000 0.891 793 L HN 0.583 nan 8.230 nan 0.000 0.432 794 W N 0.312 121.680 121.300 0.113 0.000 2.381 794 W HA -0.161 4.500 4.660 0.001 0.000 0.301 794 W C 2.092 178.614 176.519 0.005 0.000 1.205 794 W CA 1.523 58.910 57.345 0.069 0.000 1.285 794 W CB -0.244 29.202 29.460 -0.025 0.000 1.133 794 W HN -0.067 nan 8.180 nan 0.000 0.521 795 V N 2.208 122.217 119.914 0.158 0.000 2.343 795 V HA -0.335 3.785 4.120 0.001 0.000 0.247 795 V C 2.052 178.101 176.094 -0.076 0.000 1.051 795 V CA 2.251 64.571 62.300 0.034 0.000 1.036 795 V CB -0.929 30.932 31.823 0.064 0.000 0.654 795 V HN 0.138 nan 8.190 nan 0.000 0.451 796 N N -0.368 118.301 118.700 -0.052 0.000 2.409 796 N HA -0.018 4.723 4.740 0.001 0.000 0.179 796 N C 1.352 176.797 175.510 -0.108 0.000 1.032 796 N CA 0.844 53.847 53.050 -0.079 0.000 0.898 796 N CB -0.012 38.450 38.487 -0.042 0.000 0.971 796 N HN 0.309 nan 8.380 nan 0.000 0.441 797 L N -0.809 120.329 121.223 -0.141 0.000 2.388 797 L HA 0.178 4.518 4.340 0.001 0.000 0.209 797 L C 1.760 178.466 176.870 -0.272 0.000 1.061 797 L CA 0.544 55.281 54.840 -0.172 0.000 0.834 797 L CB -0.029 41.950 42.059 -0.134 0.000 1.029 797 L HN -0.121 nan 8.230 nan 0.000 0.473 798 V N -2.405 117.237 119.914 -0.452 0.000 3.050 798 V HA -0.012 4.109 4.120 0.001 0.000 0.223 798 V C 2.147 178.016 176.094 -0.375 0.000 1.162 798 V CA 1.228 63.189 62.300 -0.566 0.000 1.247 798 V CB -0.522 30.563 31.823 -1.231 0.000 1.125 798 V HN 0.211 nan 8.190 nan 0.000 0.508 799 T N 0.907 115.224 114.554 -0.395 0.000 2.620 799 T HA -0.275 4.076 4.350 0.001 0.000 0.267 799 T C 1.475 176.155 174.700 -0.034 0.000 1.044 799 T CA 2.451 64.491 62.100 -0.101 0.000 1.161 799 T CB -0.405 68.473 68.868 0.017 0.000 0.862 799 T HN 0.432 nan 8.240 nan 0.000 0.438 800 D N 0.226 120.594 120.400 -0.052 0.000 2.249 800 D HA 0.128 4.769 4.640 0.001 0.000 0.205 800 D C 2.317 178.643 176.300 0.043 0.000 0.962 800 D CA 0.788 54.804 54.000 0.027 0.000 0.860 800 D CB -0.803 39.935 40.800 -0.104 0.000 0.955 800 D HN 0.454 nan 8.370 nan 0.000 0.505 801 G N 1.169 109.927 108.800 -0.069 0.000 2.440 801 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 801 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 801 G C 1.475 176.321 174.900 -0.090 0.000 1.154 801 G CA 0.390 45.429 45.100 -0.103 0.000 0.767 801 G HN 0.164 nan 8.290 nan 0.000 0.552 802 L N 1.260 122.449 121.223 -0.056 0.000 2.017 802 L HA -0.008 4.333 4.340 0.001 0.000 0.208 802 L C 0.357 177.222 176.870 -0.008 0.000 1.073 802 L CA 1.759 56.585 54.840 -0.024 0.000 0.745 802 L CB -2.159 39.906 42.059 0.009 0.000 0.894 802 L HN 0.160 nan 8.230 nan 0.000 0.432 803 P HA -0.092 nan 4.420 nan 0.000 0.216 803 P C 1.717 178.954 177.300 -0.104 0.000 1.153 803 P CA 1.763 64.846 63.100 -0.029 0.000 0.848 803 P CB 0.028 31.730 31.700 0.003 0.000 0.787 804 A N -0.851 121.966 122.820 -0.006 0.000 1.883 804 A HA -0.216 4.104 4.320 0.001 0.000 0.217 804 A C 2.265 179.627 177.584 -0.370 0.000 1.186 804 A CA 2.579 54.575 52.037 -0.069 0.000 0.624 804 A CB -1.946 17.031 19.000 -0.039 0.000 0.822 804 A HN 0.149 nan 8.150 nan 0.000 0.444 805 T N 0.250 114.583 114.554 -0.369 0.000 2.708 805 T HA -0.044 4.306 4.350 0.001 0.000 0.266 805 T C 2.235 176.682 174.700 -0.422 0.000 1.037 805 T CA 1.715 63.534 62.100 -0.469 0.000 1.146 805 T CB -0.523 68.173 68.868 -0.286 0.000 0.865 805 T HN 0.628 nan 8.240 nan 0.000 0.435 806 A N 1.272 124.012 122.820 -0.133 0.000 1.940 806 A HA -0.038 4.282 4.320 0.001 0.000 0.219 806 A C 2.260 179.842 177.584 -0.002 0.000 1.176 806 A CA 1.294 53.384 52.037 0.088 0.000 0.631 806 A CB -0.950 18.162 19.000 0.187 0.000 0.814 806 A HN 0.505 nan 8.150 nan 0.000 0.446 807 L N -0.622 120.558 121.223 -0.070 0.000 2.265 807 L HA -0.141 4.200 4.340 0.001 0.000 0.215 807 L C 2.628 179.499 176.870 0.002 0.000 1.117 807 L CA 0.704 55.536 54.840 -0.014 0.000 0.782 807 L CB -0.558 41.504 42.059 0.006 0.000 0.914 807 L HN 0.521 nan 8.230 nan 0.000 0.441 808 G N -0.477 108.236 108.800 -0.146 0.000 2.443 808 G HA2 -0.230 3.731 3.960 0.001 0.000 0.219 808 G HA3 -0.230 3.731 3.960 0.001 0.000 0.219 808 G C 1.009 175.722 174.900 -0.312 0.000 1.131 808 G CA 0.172 45.148 45.100 -0.206 0.000 0.775 808 G HN 0.291 nan 8.290 nan 0.000 0.547 809 F N 1.104 120.992 119.950 -0.104 0.000 2.732 809 F HA 0.297 4.824 4.527 0.001 0.000 0.303 809 F C 0.724 176.501 175.800 -0.038 0.000 1.110 809 F CA -1.419 56.484 58.000 -0.162 0.000 1.355 809 F CB -0.621 38.129 39.000 -0.418 0.000 1.081 809 F HN -0.119 nan 8.300 nan 0.000 0.565 810 N N 3.365 122.134 118.700 0.114 0.000 2.356 810 N HA -0.003 4.738 4.740 0.001 0.000 0.252 810 N C -2.327 173.232 175.510 0.081 0.000 1.241 810 N CA -1.077 52.026 53.050 0.088 0.000 0.861 810 N CB 0.005 38.511 38.487 0.031 0.000 1.075 810 N HN 0.011 nan 8.380 nan 0.000 0.461 811 P HA 0.092 nan 4.420 nan 0.000 0.268 811 P C -2.430 174.894 177.300 0.040 0.000 1.205 811 P CA -0.752 62.389 63.100 0.067 0.000 0.771 811 P CB -0.063 31.676 31.700 0.065 0.000 0.858 812 P HA 0.180 nan 4.420 nan 0.000 0.277 812 P C -0.488 176.822 177.300 0.018 0.000 1.240 812 P CA -0.147 62.966 63.100 0.023 0.000 0.798 812 P CB 0.707 32.422 31.700 0.025 0.000 0.979 813 D N 1.518 121.924 120.400 0.011 0.000 2.424 813 D HA 0.051 4.691 4.640 0.001 0.000 0.244 813 D C 1.616 177.922 176.300 0.010 0.000 1.134 813 D CA -0.095 53.910 54.000 0.008 0.000 0.881 813 D CB 0.848 41.650 40.800 0.003 0.000 1.191 813 D HN 0.296 nan 8.370 nan 0.000 0.445 814 L N 1.464 122.693 121.223 0.009 0.000 2.187 814 L HA -0.177 4.163 4.340 0.001 0.000 0.213 814 L C 1.570 178.445 176.870 0.008 0.000 1.100 814 L CA 1.075 55.921 54.840 0.010 0.000 0.765 814 L CB -0.242 41.822 42.059 0.009 0.000 0.904 814 L HN 0.422 nan 8.230 nan 0.000 0.437 815 D N -0.910 119.494 120.400 0.006 0.000 2.427 815 D HA -0.036 4.605 4.640 0.001 0.000 0.224 815 D C 1.803 178.107 176.300 0.007 0.000 1.157 815 D CA -0.148 53.855 54.000 0.006 0.000 0.828 815 D CB 0.113 40.915 40.800 0.003 0.000 0.974 815 D HN 0.093 nan 8.370 nan 0.000 0.498 816 I N 0.669 121.245 120.570 0.009 0.000 2.145 816 I HA -0.238 3.933 4.170 0.001 0.000 0.244 816 I C 1.688 177.811 176.117 0.010 0.000 1.075 816 I CA 1.189 62.496 61.300 0.011 0.000 1.332 816 I CB -0.318 37.690 38.000 0.013 0.000 1.033 816 I HN 0.162 nan 8.210 nan 0.000 0.410 817 M N -0.137 119.468 119.600 0.008 0.000 2.571 817 M HA 0.050 4.531 4.480 0.001 0.000 0.235 817 M C 0.234 176.538 176.300 0.007 0.000 1.216 817 M CA 0.523 55.826 55.300 0.006 0.000 0.979 817 M CB -0.815 31.788 32.600 0.004 0.000 1.616 817 M HN 0.072 nan 8.290 nan 0.000 0.469 818 D N 1.081 121.485 120.400 0.007 0.000 2.479 818 D HA 0.167 4.808 4.640 0.001 0.000 0.218 818 D C 0.428 176.732 176.300 0.007 0.000 1.177 818 D CA 0.149 54.153 54.000 0.007 0.000 0.830 818 D CB 1.065 41.868 40.800 0.005 0.000 1.014 818 D HN 0.394 nan 8.370 nan 0.000 0.503 819 R N 0.642 121.146 120.500 0.008 0.000 2.837 819 R HA 0.565 4.906 4.340 0.001 0.000 0.271 819 R C -2.962 173.343 176.300 0.009 0.000 0.993 819 R CA -1.679 54.426 56.100 0.008 0.000 0.931 819 R CB 0.947 31.253 30.300 0.010 0.000 1.206 819 R HN -0.256 nan 8.270 nan 0.000 0.474 820 P HA 0.136 nan 4.420 nan 0.000 0.271 820 P C -2.417 174.888 177.300 0.007 0.000 1.233 820 P CA -1.107 61.998 63.100 0.009 0.000 0.789 820 P CB -0.505 31.201 31.700 0.010 0.000 0.951 821 P HA 0.140 nan 4.420 nan 0.000 0.268 821 P C 0.306 177.603 177.300 -0.006 0.000 1.205 821 P CA 0.119 63.217 63.100 -0.004 0.000 0.771 821 P CB 0.283 31.980 31.700 -0.005 0.000 0.858 822 R N 2.286 122.777 120.500 -0.015 0.000 2.679 822 R HA 0.141 4.481 4.340 0.001 0.000 0.268 822 R C 0.200 176.484 176.300 -0.026 0.000 1.044 822 R CA 0.079 56.171 56.100 -0.014 0.000 1.105 822 R CB 0.218 30.500 30.300 -0.030 0.000 0.989 822 R HN 0.432 nan 8.270 nan 0.000 0.447 823 S N 3.813 119.508 115.700 -0.008 0.000 2.523 823 S HA 0.197 4.668 4.470 0.001 0.000 0.275 823 S C -1.689 172.897 174.600 -0.023 0.000 1.281 823 S CA -1.632 56.564 58.200 -0.006 0.000 1.050 823 S CB 1.272 64.480 63.200 0.012 0.000 0.937 823 S HN 0.527 nan 8.310 nan 0.000 0.492 824 P HA -0.070 nan 4.420 nan 0.000 0.218 824 P C 0.782 178.071 177.300 -0.018 0.000 1.148 824 P CA 1.027 64.099 63.100 -0.046 0.000 0.822 824 P CB 0.163 31.843 31.700 -0.033 0.000 0.784 825 K N -0.109 120.293 120.400 0.004 0.000 2.487 825 K HA -0.010 4.310 4.320 0.001 0.000 0.192 825 K C 0.644 177.266 176.600 0.036 0.000 1.027 825 K CA 0.098 56.398 56.287 0.021 0.000 1.054 825 K CB -0.589 31.925 32.500 0.024 0.000 0.824 825 K HN 0.393 nan 8.250 nan 0.000 0.510 826 E N 3.646 123.867 120.200 0.036 0.000 2.406 826 E HA 0.002 4.352 4.350 0.001 0.000 0.258 826 E C -2.119 174.529 176.600 0.080 0.000 1.043 826 E CA -1.510 54.925 56.400 0.058 0.000 0.929 826 E CB 0.517 30.254 29.700 0.063 0.000 0.969 826 E HN -0.040 nan 8.360 nan 0.000 0.462 827 P HA 0.006 nan 4.420 nan 0.000 0.278 827 P C 0.238 177.599 177.300 0.102 0.000 1.238 827 P CA -0.311 62.847 63.100 0.098 0.000 0.794 827 P CB 1.068 32.832 31.700 0.108 0.000 0.955 828 L N 2.083 123.360 121.223 0.089 0.000 2.217 828 L HA 0.096 4.436 4.340 0.001 0.000 0.211 828 L C 1.151 178.068 176.870 0.077 0.000 1.107 828 L CA 1.508 56.381 54.840 0.055 0.000 0.783 828 L CB -0.519 41.535 42.059 -0.008 0.000 0.919 828 L HN 0.399 nan 8.230 nan 0.000 0.442 829 I N -1.122 119.519 120.570 0.118 0.000 2.586 829 I HA 0.385 4.555 4.170 0.001 0.000 0.288 829 I C -0.658 175.616 176.117 0.261 0.000 1.147 829 I CA -0.237 61.165 61.300 0.170 0.000 1.047 829 I CB 1.859 39.952 38.000 0.153 0.000 1.244 829 I HN -0.015 nan 8.210 nan 0.000 0.429 830 S N 3.068 118.931 115.700 0.271 0.000 2.655 830 S HA 0.861 5.331 4.470 0.001 0.000 0.266 830 S C 0.069 174.820 174.600 0.251 0.000 1.149 830 S CA -0.342 58.039 58.200 0.301 0.000 0.818 830 S CB 1.147 64.456 63.200 0.181 0.000 1.130 830 S HN 1.363 nan 8.310 nan 0.000 0.476 831 G N 1.312 110.218 108.800 0.176 0.000 2.627 831 G HA2 -0.371 3.590 3.960 0.001 0.000 0.312 831 G HA3 -0.371 3.590 3.960 0.001 0.000 0.312 831 G C 0.803 175.866 174.900 0.271 0.000 1.299 831 G CA 0.749 45.959 45.100 0.182 0.000 0.989 831 G HN 1.332 nan 8.290 nan 0.000 0.547 832 W N -0.175 121.190 121.300 0.109 0.000 2.364 832 W HA -0.054 4.606 4.660 0.001 0.000 0.281 832 W C 2.278 178.881 176.519 0.141 0.000 1.219 832 W CA 1.985 59.412 57.345 0.136 0.000 1.220 832 W CB -0.184 29.316 29.460 0.068 0.000 1.127 832 W HN 0.419 nan 8.180 nan 0.000 0.556 833 L N 0.244 121.515 121.223 0.080 0.000 2.179 833 L HA -0.077 4.263 4.340 0.001 0.000 0.208 833 L C 2.253 179.009 176.870 -0.190 0.000 1.096 833 L CA 1.624 56.361 54.840 -0.172 0.000 0.779 833 L CB -1.413 40.593 42.059 -0.087 0.000 0.922 833 L HN -0.092 nan 8.230 nan 0.000 0.443 834 F N -0.569 119.340 119.950 -0.069 0.000 2.075 834 F HA -0.251 4.276 4.527 0.001 0.000 0.297 834 F C 2.308 178.076 175.800 -0.054 0.000 1.113 834 F CA 1.841 59.847 58.000 0.011 0.000 1.218 834 F CB -0.737 38.304 39.000 0.068 0.000 0.984 834 F HN 0.198 nan 8.300 nan 0.000 0.472 835 F N 1.204 121.219 119.950 0.109 0.000 2.126 835 F HA -0.181 4.346 4.527 0.001 0.000 0.299 835 F C 2.505 178.108 175.800 -0.328 0.000 1.096 835 F CA 1.841 59.769 58.000 -0.120 0.000 1.255 835 F CB -0.567 38.215 39.000 -0.363 0.000 0.997 835 F HN -0.149 nan 8.300 nan 0.000 0.479 836 R N -1.159 119.010 120.500 -0.551 0.000 2.083 836 R HA -0.217 4.124 4.340 0.001 0.000 0.237 836 R C 2.125 178.193 176.300 -0.387 0.000 1.137 836 R CA 1.969 57.714 56.100 -0.592 0.000 0.951 836 R CB -0.771 29.166 30.300 -0.605 0.000 0.851 836 R HN 0.319 nan 8.270 nan 0.000 0.434 837 Y N 0.027 120.170 120.300 -0.261 0.000 2.439 837 Y HA -0.047 4.504 4.550 0.001 0.000 0.292 837 Y C 2.156 177.906 175.900 -0.249 0.000 1.130 837 Y CA 0.688 58.650 58.100 -0.229 0.000 1.254 837 Y CB -0.263 38.058 38.460 -0.231 0.000 1.000 837 Y HN 0.066 nan 8.280 nan 0.000 0.554 838 M N -1.192 118.311 119.600 -0.161 0.000 2.123 838 M HA -0.126 4.354 4.480 0.001 0.000 0.263 838 M C 2.540 178.720 176.300 -0.201 0.000 1.069 838 M CA 1.503 56.705 55.300 -0.163 0.000 1.133 838 M CB -0.445 32.077 32.600 -0.129 0.000 1.356 838 M HN 0.234 nan 8.290 nan 0.000 0.415 839 A N 1.069 123.648 122.820 -0.402 0.000 1.865 839 A HA -0.185 4.136 4.320 0.001 0.000 0.217 839 A C 1.923 179.443 177.584 -0.106 0.000 1.191 839 A CA 1.561 53.395 52.037 -0.338 0.000 0.623 839 A CB -0.887 17.789 19.000 -0.539 0.000 0.826 839 A HN 0.407 nan 8.150 nan 0.000 0.444 840 I N 0.087 120.610 120.570 -0.078 0.000 2.264 840 I HA -0.200 3.971 4.170 0.001 0.000 0.248 840 I C 2.617 178.785 176.117 0.086 0.000 1.111 840 I CA 1.497 62.820 61.300 0.040 0.000 1.382 840 I CB -2.100 35.950 38.000 0.085 0.000 1.060 840 I HN 0.364 nan 8.210 nan 0.000 0.418 841 G N 0.641 109.455 108.800 0.023 0.000 2.402 841 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 841 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 841 G C 1.763 176.682 174.900 0.031 0.000 1.162 841 G CA 0.766 45.874 45.100 0.012 0.000 0.777 841 G HN 0.463 nan 8.290 nan 0.000 0.539 842 G N -0.148 108.669 108.800 0.028 0.000 2.418 842 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 842 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 842 G C 1.621 176.551 174.900 0.050 0.000 1.158 842 G CA 1.087 46.211 45.100 0.039 0.000 0.771 842 G HN 0.394 nan 8.290 nan 0.000 0.545 843 Y N 1.263 121.549 120.300 -0.023 0.000 2.097 843 Y HA -0.185 4.365 4.550 0.001 0.000 0.282 843 Y C 2.910 178.806 175.900 -0.007 0.000 1.152 843 Y CA 1.838 59.930 58.100 -0.013 0.000 1.136 843 Y CB -0.396 38.055 38.460 -0.015 0.000 0.975 843 Y HN 0.039 nan 8.280 nan 0.000 0.498 844 V N -0.124 119.832 119.914 0.071 0.000 2.490 844 V HA -0.267 3.853 4.120 0.001 0.000 0.250 844 V C 2.538 178.593 176.094 -0.065 0.000 1.061 844 V CA 1.863 64.161 62.300 -0.004 0.000 1.064 844 V CB -1.495 30.354 31.823 0.043 0.000 0.670 844 V HN 0.643 nan 8.190 nan 0.000 0.461 845 G N -0.691 108.085 108.800 -0.039 0.000 2.422 845 G HA2 -0.095 3.865 3.960 0.001 0.000 0.218 845 G HA3 -0.095 3.865 3.960 0.001 0.000 0.218 845 G C 1.666 176.531 174.900 -0.058 0.000 1.140 845 G CA 0.961 46.045 45.100 -0.026 0.000 0.775 845 G HN 0.600 nan 8.290 nan 0.000 0.545 846 A N 0.973 123.724 122.820 -0.116 0.000 1.903 846 A HA 0.522 4.843 4.320 0.001 0.000 0.213 846 A C 2.747 180.219 177.584 -0.187 0.000 1.185 846 A CA 1.587 53.543 52.037 -0.135 0.000 0.628 846 A CB -0.646 18.263 19.000 -0.152 0.000 0.830 846 A HN 0.641 nan 8.150 nan 0.000 0.446 847 A N 0.089 122.718 122.820 -0.318 0.000 1.978 847 A HA -0.128 4.192 4.320 0.001 0.000 0.220 847 A C 2.369 179.863 177.584 -0.150 0.000 1.170 847 A CA 2.600 54.460 52.037 -0.296 0.000 0.636 847 A CB -1.158 17.613 19.000 -0.382 0.000 0.810 847 A HN 0.689 nan 8.150 nan 0.000 0.448 848 T N -3.434 111.056 114.554 -0.106 0.000 2.939 848 T HA 0.004 4.354 4.350 0.001 0.000 0.254 848 T C 1.700 176.385 174.700 -0.024 0.000 1.041 848 T CA 1.094 63.158 62.100 -0.059 0.000 1.142 848 T CB -0.674 68.169 68.868 -0.042 0.000 0.874 848 T HN 0.046 nan 8.240 nan 0.000 0.452 849 V N 2.205 122.110 119.914 -0.016 0.000 2.343 849 V HA -0.008 4.113 4.120 0.001 0.000 0.247 849 V C 3.064 179.186 176.094 0.047 0.000 1.051 849 V CA 1.938 64.250 62.300 0.021 0.000 1.036 849 V CB -1.518 30.314 31.823 0.014 0.000 0.654 849 V HN 0.679 nan 8.190 nan 0.000 0.451 850 G N -0.223 108.587 108.800 0.017 0.000 2.459 850 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 850 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 850 G C 1.817 176.787 174.900 0.117 0.000 1.183 850 G CA 1.146 46.276 45.100 0.050 0.000 0.776 850 G HN 0.611 nan 8.290 nan 0.000 0.552 851 A N 1.089 123.934 122.820 0.042 0.000 1.927 851 A HA 0.092 4.412 4.320 0.001 0.000 0.220 851 A C 2.791 180.507 177.584 0.219 0.000 1.185 851 A CA 2.728 54.806 52.037 0.068 0.000 0.639 851 A CB -0.788 18.180 19.000 -0.054 0.000 0.820 851 A HN 0.899 nan 8.150 nan 0.000 0.451 852 A N -0.620 122.284 122.820 0.140 0.000 1.897 852 A HA 0.309 4.629 4.320 0.001 0.000 0.215 852 A C 2.451 180.192 177.584 0.261 0.000 1.181 852 A CA 1.699 53.814 52.037 0.131 0.000 0.620 852 A CB -0.923 18.135 19.000 0.096 0.000 0.821 852 A HN 1.116 nan 8.150 nan 0.000 0.443 853 A N -1.864 121.124 122.820 0.281 0.000 2.067 853 A HA -0.090 4.230 4.320 0.001 0.000 0.219 853 A C 1.859 179.630 177.584 0.310 0.000 1.158 853 A CA 1.298 53.515 52.037 0.300 0.000 0.661 853 A CB -0.761 18.359 19.000 0.200 0.000 0.801 853 A HN 0.874 nan 8.150 nan 0.000 0.452 854 W N -1.311 120.073 121.300 0.140 0.000 2.476 854 W HA -0.043 4.618 4.660 0.001 0.000 0.281 854 W C 1.772 178.373 176.519 0.136 0.000 1.230 854 W CA 1.171 58.603 57.345 0.145 0.000 1.287 854 W CB -0.285 29.214 29.460 0.064 0.000 1.108 854 W HN 0.460 nan 8.180 nan 0.000 0.567 855 W N -0.427 120.808 121.300 -0.109 0.000 2.494 855 W HA -0.040 4.620 4.660 0.001 0.000 0.286 855 W C 1.655 177.914 176.519 -0.434 0.000 1.218 855 W CA 1.360 58.440 57.345 -0.441 0.000 1.313 855 W CB -0.747 28.517 29.460 -0.327 0.000 1.105 855 W HN -0.190 nan 8.180 nan 0.000 0.561 856 F N 0.047 119.993 119.950 -0.007 0.000 2.451 856 F HA -0.046 4.481 4.527 0.001 0.000 0.299 856 F C 1.818 177.385 175.800 -0.388 0.000 1.101 856 F CA 1.197 59.067 58.000 -0.216 0.000 1.436 856 F CB -0.467 38.432 39.000 -0.168 0.000 1.074 856 F HN -0.130 nan 8.300 nan 0.000 0.553 857 M N -2.392 117.080 119.600 -0.213 0.000 2.332 857 M HA 0.185 4.665 4.480 0.001 0.000 0.209 857 M C -0.376 175.612 176.300 -0.520 0.000 1.547 857 M CA -0.435 54.629 55.300 -0.394 0.000 1.863 857 M CB -0.536 31.783 32.600 -0.469 0.000 1.098 857 M HN -0.362 nan 8.290 nan 0.000 0.896 858 Y N 1.644 121.702 120.300 -0.403 0.000 2.691 858 Y HA 0.373 4.923 4.550 0.001 0.000 0.359 858 Y C 0.126 175.543 175.900 -0.804 0.000 1.292 858 Y CA -0.718 57.124 58.100 -0.430 0.000 1.822 858 Y CB -1.795 36.521 38.460 -0.240 0.000 1.481 858 Y HN 0.275 nan 8.280 nan 0.000 0.461 859 A N 1.559 124.009 122.820 -0.617 0.000 2.587 859 A HA 0.667 4.988 4.320 0.001 0.000 0.293 859 A C 0.517 177.831 177.584 -0.450 0.000 1.087 859 A CA -0.862 50.693 52.037 -0.803 0.000 0.692 859 A CB 1.445 19.755 19.000 -1.150 0.000 1.291 859 A HN 0.383 nan 8.150 nan 0.000 0.407 860 E N 0.094 120.110 120.200 -0.307 0.000 2.447 860 E HA 0.029 4.379 4.350 0.001 0.000 0.195 860 E C -0.256 176.247 176.600 -0.162 0.000 1.028 860 E CA 0.649 56.955 56.400 -0.157 0.000 0.876 860 E CB 0.483 30.164 29.700 -0.033 0.000 0.885 860 E HN 0.663 nan 8.360 nan 0.000 0.500 861 D N -0.321 119.936 120.400 -0.239 0.000 2.500 861 D HA 0.137 4.778 4.640 0.001 0.000 0.218 861 D C 0.828 176.908 176.300 -0.367 0.000 1.140 861 D CA 0.205 54.108 54.000 -0.162 0.000 0.830 861 D CB 1.432 42.256 40.800 0.040 0.000 1.055 861 D HN 0.001 nan 8.370 nan 0.000 0.512 862 G N 1.069 109.363 108.800 -0.844 0.000 2.735 862 G HA2 0.499 4.459 3.960 0.001 0.000 0.301 862 G HA3 0.499 4.459 3.960 0.001 0.000 0.301 862 G C -2.769 171.597 174.900 -0.891 0.000 1.279 862 G CA -1.502 42.737 45.100 -1.435 0.000 1.019 862 G HN -0.278 nan 8.290 nan 0.000 0.497 863 P HA 0.088 nan 4.420 nan 0.000 0.253 863 P C 0.828 177.899 177.300 -0.382 0.000 1.159 863 P CA 0.467 63.324 63.100 -0.406 0.000 0.779 863 P CB 0.509 32.049 31.700 -0.268 0.000 0.745 864 G N 3.124 111.755 108.800 -0.283 0.000 3.375 864 G HA2 0.121 4.081 3.960 0.001 0.000 0.247 864 G HA3 0.121 4.081 3.960 0.001 0.000 0.247 864 G C 0.419 175.202 174.900 -0.195 0.000 1.343 864 G CA -0.276 44.672 45.100 -0.254 0.000 1.368 864 G HN 0.509 nan 8.290 nan 0.000 0.549 865 V N 0.151 119.952 119.914 -0.190 0.000 2.008 865 V HA 0.332 4.452 4.120 0.001 0.000 0.262 865 V C 0.790 176.798 176.094 -0.144 0.000 1.580 865 V CA -0.534 61.724 62.300 -0.070 0.000 1.515 865 V CB -1.226 30.570 31.823 -0.044 0.000 1.474 865 V HN 0.266 nan 8.190 nan 0.000 0.504 866 T N -0.149 114.221 114.554 -0.308 0.000 2.916 866 T HA 0.288 4.639 4.350 0.001 0.000 0.303 866 T C 0.305 174.882 174.700 -0.206 0.000 1.025 866 T CA 0.202 61.906 62.100 -0.659 0.000 1.142 866 T CB -0.008 68.346 68.868 -0.858 0.000 0.947 866 T HN 0.807 nan 8.240 nan 0.000 0.544 867 Y N -0.551 119.648 120.300 -0.167 0.000 4.705 867 Y HA -0.280 4.270 4.550 0.001 0.000 0.226 867 Y C 1.702 177.659 175.900 0.095 0.000 1.039 867 Y CA 1.224 59.346 58.100 0.038 0.000 1.968 867 Y CB -2.739 35.755 38.460 0.056 0.000 1.614 867 Y HN 0.969 nan 8.280 nan 0.000 0.619 868 H N 1.452 120.583 119.070 0.102 0.000 2.489 868 H HA -0.047 4.509 4.556 0.001 0.000 0.293 868 H C 0.391 175.875 175.328 0.261 0.000 1.066 868 H CA 2.036 58.181 56.048 0.161 0.000 1.305 868 H CB 0.170 29.985 29.762 0.087 0.000 1.386 868 H HN 0.628 nan 8.280 nan 0.000 0.551 869 Q N -0.363 119.638 119.800 0.335 0.000 2.449 869 Q HA -0.162 4.179 4.340 0.001 0.000 0.300 869 Q C 0.965 177.134 176.000 0.282 0.000 1.317 869 Q CA 0.580 56.508 55.803 0.209 0.000 0.836 869 Q CB -1.171 27.582 28.738 0.024 0.000 0.935 869 Q HN 0.415 nan 8.270 nan 0.000 0.305 870 L N 0.820 122.104 121.223 0.103 0.000 2.465 870 L HA -0.105 4.236 4.340 0.001 0.000 0.224 870 L C 1.961 178.884 176.870 0.087 0.000 1.145 870 L CA 1.218 56.084 54.840 0.043 0.000 0.834 870 L CB -0.420 41.486 42.059 -0.255 0.000 0.944 870 L HN 0.696 nan 8.230 nan 0.000 0.451 871 T N -1.812 112.759 114.554 0.029 0.000 2.652 871 T HA -0.199 4.151 4.350 0.001 0.000 0.267 871 T C 1.771 176.505 174.700 0.056 0.000 1.039 871 T CA 1.298 63.388 62.100 -0.017 0.000 1.153 871 T CB -0.350 68.446 68.868 -0.120 0.000 0.863 871 T HN 0.355 nan 8.240 nan 0.000 0.428 872 H N 1.075 120.261 119.070 0.193 0.000 2.272 872 H HA -0.077 4.480 4.556 0.001 0.000 0.289 872 H C 0.879 176.431 175.328 0.374 0.000 1.100 872 H CA 1.908 58.111 56.048 0.258 0.000 1.209 872 H CB -0.409 29.554 29.762 0.336 0.000 1.348 872 H HN 0.556 nan 8.280 nan 0.000 0.481 873 F N -3.763 116.312 119.950 0.208 0.000 2.817 873 F HA 0.475 5.003 4.527 0.001 0.000 0.317 873 F C -0.262 175.541 175.800 0.005 0.000 1.168 873 F CA -1.190 56.859 58.000 0.082 0.000 0.911 873 F CB 1.070 40.107 39.000 0.062 0.000 1.337 873 F HN -0.191 nan 8.300 nan 0.000 0.464 874 M N 0.245 119.699 119.600 -0.244 0.000 2.622 874 M HA 0.097 4.578 4.480 0.001 0.000 0.456 874 M C 0.515 176.651 176.300 -0.274 0.000 1.168 874 M CA 0.185 55.174 55.300 -0.518 0.000 0.930 874 M CB 0.894 33.352 32.600 -0.237 0.000 1.919 874 M HN 0.842 nan 8.290 nan 0.000 0.640 875 Q N 0.170 119.995 119.800 0.042 0.000 2.062 875 Q HA 0.026 4.366 4.340 0.001 0.000 0.196 875 Q C 0.987 177.055 176.000 0.114 0.000 0.967 875 Q CA 0.958 56.823 55.803 0.104 0.000 0.832 875 Q CB 0.197 29.038 28.738 0.172 0.000 0.899 875 Q HN 0.538 nan 8.270 nan 0.000 0.442 876 c N 1.193 120.020 118.600 0.379 0.000 3.547 876 c HA -0.150 4.421 4.570 0.001 0.000 0.299 876 c C 0.693 174.847 174.090 0.106 0.000 1.148 876 c CA 0.778 57.288 56.329 0.301 0.000 2.364 876 c CB -1.797 40.721 42.510 0.015 0.000 1.453 876 c HN 0.723 nan 8.230 nan 0.000 0.549 877 T N 0.369 114.945 114.554 0.036 0.000 3.100 877 T HA 0.104 4.455 4.350 0.001 0.000 0.255 877 T C 1.247 175.872 174.700 -0.125 0.000 0.893 877 T CA 0.685 62.763 62.100 -0.037 0.000 0.882 877 T CB 0.082 68.936 68.868 -0.023 0.000 1.266 877 T HN 0.694 nan 8.240 nan 0.000 0.528 878 E N 1.157 121.218 120.200 -0.231 0.000 2.389 878 E HA 0.082 4.432 4.350 0.001 0.000 0.199 878 E C -0.384 175.953 176.600 -0.438 0.000 0.978 878 E CA 0.190 56.358 56.400 -0.388 0.000 0.912 878 E CB 0.250 29.643 29.700 -0.512 0.000 0.907 878 E HN 0.248 nan 8.360 nan 0.000 0.494 879 D N 0.209 120.407 120.400 -0.336 0.000 2.811 879 D HA -0.215 4.426 4.640 0.001 0.000 0.231 879 D C 0.664 176.806 176.300 -0.264 0.000 1.157 879 D CA 0.561 54.450 54.000 -0.184 0.000 0.716 879 D CB -1.129 39.616 40.800 -0.092 0.000 1.077 879 D HN 0.333 nan 8.370 nan 0.000 0.428 880 H N -0.970 117.881 119.070 -0.366 0.000 2.319 880 H HA -0.096 4.461 4.556 0.001 0.000 0.297 880 H C -0.125 175.043 175.328 -0.267 0.000 1.097 880 H CA 1.953 57.792 56.048 -0.349 0.000 1.285 880 H CB -0.868 28.677 29.762 -0.362 0.000 1.368 880 H HN 0.459 nan 8.280 nan 0.000 0.495 881 P HA -0.098 nan 4.420 nan 0.000 0.213 881 P C 0.447 177.931 177.300 0.307 0.000 1.169 881 P CA 1.074 64.260 63.100 0.144 0.000 0.885 881 P CB -0.116 31.727 31.700 0.238 0.000 0.779 882 H N -0.951 118.247 119.070 0.213 0.000 2.819 882 H HA 0.182 4.739 4.556 0.001 0.000 0.303 882 H C 0.615 176.015 175.328 0.120 0.000 1.058 882 H CA -0.130 56.049 56.048 0.219 0.000 1.471 882 H CB -0.172 29.708 29.762 0.196 0.000 1.480 882 H HN -0.115 nan 8.280 nan 0.000 0.517 883 F N 1.679 121.535 119.950 -0.156 0.000 2.615 883 F HA 0.117 4.645 4.527 0.001 0.000 0.297 883 F C 0.755 176.465 175.800 -0.150 0.000 1.124 883 F CA 0.548 58.473 58.000 -0.125 0.000 1.451 883 F CB 0.557 39.492 39.000 -0.109 0.000 1.103 883 F HN 0.536 nan 8.300 nan 0.000 0.569 884 E N -0.552 119.575 120.200 -0.122 0.000 2.522 884 E HA 0.486 4.837 4.350 0.001 0.000 0.315 884 E C -0.676 175.902 176.600 -0.036 0.000 0.917 884 E CA -0.263 56.101 56.400 -0.061 0.000 0.796 884 E CB 0.793 30.476 29.700 -0.028 0.000 1.323 884 E HN 0.141 nan 8.360 nan 0.000 0.397 885 G N 2.314 111.199 108.800 0.142 0.000 2.321 885 G HA2 0.338 4.298 3.960 0.001 0.000 0.298 885 G HA3 0.338 4.298 3.960 0.001 0.000 0.298 885 G C -1.765 173.242 174.900 0.178 0.000 1.385 885 G CA -0.860 44.388 45.100 0.246 0.000 0.856 885 G HN 0.370 nan 8.290 nan 0.000 0.584 886 L N 1.710 123.007 121.223 0.123 0.000 2.489 886 L HA 0.528 4.868 4.340 0.001 0.000 0.257 886 L C -1.405 175.491 176.870 0.044 0.000 1.215 886 L CA -0.508 54.374 54.840 0.070 0.000 0.915 886 L CB 1.560 43.648 42.059 0.048 0.000 1.146 886 L HN 0.658 nan 8.230 nan 0.000 0.494 887 D N 1.087 121.502 120.400 0.026 0.000 2.633 887 D HA 0.205 4.845 4.640 0.001 0.000 0.198 887 D C -0.790 175.496 176.300 -0.023 0.000 1.273 887 D CA -0.244 53.760 54.000 0.006 0.000 0.830 887 D CB 2.220 43.028 40.800 0.012 0.000 1.771 887 D HN 0.365 nan 8.370 nan 0.000 0.547 888 c N 2.698 121.281 118.600 -0.028 0.000 4.259 888 c HA 0.063 4.634 4.570 0.001 0.000 0.404 888 c C 1.637 175.698 174.090 -0.048 0.000 1.673 888 c CA 0.193 56.458 56.329 -0.108 0.000 2.002 888 c CB -0.121 42.273 42.510 -0.193 0.000 3.094 888 c HN 0.753 nan 8.230 nan 0.000 0.681 889 E N 2.267 122.482 120.200 0.025 0.000 2.512 889 E HA -0.028 4.323 4.350 0.001 0.000 0.195 889 E C 1.463 178.162 176.600 0.165 0.000 1.083 889 E CA 0.654 57.096 56.400 0.069 0.000 0.873 889 E CB -0.350 29.377 29.700 0.045 0.000 0.897 889 E HN 0.812 nan 8.360 nan 0.000 0.514 890 I N -2.790 117.929 120.570 0.248 0.000 2.676 890 I HA -0.063 4.107 4.170 0.001 0.000 0.259 890 I C 1.175 177.590 176.117 0.497 0.000 1.194 890 I CA 0.408 61.913 61.300 0.343 0.000 1.473 890 I CB -0.400 37.814 38.000 0.356 0.000 1.096 890 I HN -0.120 nan 8.210 nan 0.000 0.443 891 F N 2.196 122.218 119.950 0.120 0.000 2.529 891 F HA -0.050 4.477 4.527 0.001 0.000 0.297 891 F C 1.997 177.895 175.800 0.163 0.000 1.114 891 F CA 1.090 59.108 58.000 0.031 0.000 1.467 891 F CB -0.535 38.351 39.000 -0.189 0.000 1.096 891 F HN 0.272 nan 8.300 nan 0.000 0.586 892 E N -0.646 119.732 120.200 0.298 0.000 2.583 892 E HA 0.294 4.644 4.350 0.001 0.000 0.213 892 E C 0.716 177.370 176.600 0.090 0.000 0.989 892 E CA -0.207 56.295 56.400 0.169 0.000 0.991 892 E CB 0.344 30.110 29.700 0.110 0.000 1.040 892 E HN 0.135 nan 8.360 nan 0.000 0.481 893 A N 3.033 125.914 122.820 0.101 0.000 2.540 893 A HA 0.052 4.373 4.320 0.001 0.000 0.239 893 A C -1.342 176.087 177.584 -0.259 0.000 1.061 893 A CA -0.751 51.232 52.037 -0.090 0.000 0.758 893 A CB 0.065 18.980 19.000 -0.142 0.000 0.991 893 A HN -0.013 nan 8.150 nan 0.000 0.502 894 P HA -0.043 nan 4.420 nan 0.000 0.236 894 P C 0.494 177.515 177.300 -0.465 0.000 1.177 894 P CA 0.772 63.700 63.100 -0.288 0.000 0.773 894 P CB 0.379 31.959 31.700 -0.200 0.000 0.878 895 E N 1.501 121.260 120.200 -0.735 0.000 2.031 895 E HA -0.107 4.243 4.350 0.001 0.000 0.193 895 E C -0.412 175.509 176.600 -1.132 0.000 0.994 895 E CA 1.866 57.652 56.400 -1.023 0.000 0.800 895 E CB -2.140 26.638 29.700 -1.537 0.000 0.752 895 E HN 0.401 nan 8.360 nan 0.000 0.447 896 P HA -0.180 nan 4.420 nan 0.000 0.215 896 P C 1.342 178.399 177.300 -0.404 0.000 1.153 896 P CA 1.578 64.185 63.100 -0.821 0.000 0.853 896 P CB -0.035 31.075 31.700 -0.983 0.000 0.788 897 M N -0.830 118.565 119.600 -0.342 0.000 2.159 897 M HA -0.084 4.397 4.480 0.001 0.000 0.263 897 M C 2.058 178.237 176.300 -0.202 0.000 1.063 897 M CA 2.000 57.187 55.300 -0.189 0.000 1.110 897 M CB -1.369 31.152 32.600 -0.132 0.000 1.374 897 M HN -0.062 nan 8.290 nan 0.000 0.411 898 T N 0.469 114.852 114.554 -0.284 0.000 2.929 898 T HA -0.069 4.281 4.350 0.001 0.000 0.271 898 T C 1.794 176.320 174.700 -0.290 0.000 1.085 898 T CA 0.914 62.846 62.100 -0.280 0.000 1.125 898 T CB -0.009 68.653 68.868 -0.343 0.000 0.874 898 T HN 0.257 nan 8.240 nan 0.000 0.494 899 M N 0.918 120.352 119.600 -0.277 0.000 2.160 899 M HA 0.169 4.649 4.480 0.001 0.000 0.264 899 M C 2.875 179.071 176.300 -0.172 0.000 1.073 899 M CA 1.087 56.249 55.300 -0.229 0.000 1.142 899 M CB -1.416 31.124 32.600 -0.101 0.000 1.358 899 M HN 0.296 nan 8.290 nan 0.000 0.422 900 A N 0.430 123.175 122.820 -0.126 0.000 1.883 900 A HA -0.190 4.131 4.320 0.001 0.000 0.217 900 A C 2.231 179.763 177.584 -0.085 0.000 1.186 900 A CA 1.606 53.594 52.037 -0.083 0.000 0.624 900 A CB -1.046 17.924 19.000 -0.051 0.000 0.822 900 A HN 0.413 nan 8.150 nan 0.000 0.444 901 L N -0.066 121.105 121.223 -0.088 0.000 2.046 901 L HA -0.086 4.255 4.340 0.001 0.000 0.208 901 L C 2.492 179.297 176.870 -0.107 0.000 1.077 901 L CA 2.511 57.314 54.840 -0.062 0.000 0.747 901 L CB -0.505 41.541 42.059 -0.021 0.000 0.896 901 L HN 0.287 nan 8.230 nan 0.000 0.432 902 S N -1.457 114.158 115.700 -0.142 0.000 2.423 902 S HA -0.111 4.359 4.470 0.001 0.000 0.231 902 S C 1.935 176.453 174.600 -0.137 0.000 1.014 902 S CA 1.145 59.223 58.200 -0.203 0.000 0.965 902 S CB -0.255 62.654 63.200 -0.485 0.000 0.785 902 S HN 0.325 nan 8.310 nan 0.000 0.495 903 V N 1.538 121.379 119.914 -0.120 0.000 2.323 903 V HA -0.082 4.039 4.120 0.001 0.000 0.244 903 V C 2.189 178.263 176.094 -0.034 0.000 1.041 903 V CA 1.317 63.579 62.300 -0.064 0.000 1.025 903 V CB -0.519 31.254 31.823 -0.083 0.000 0.656 903 V HN 0.367 nan 8.190 nan 0.000 0.451 904 L N 0.009 121.202 121.223 -0.051 0.000 1.989 904 L HA -0.132 4.208 4.340 0.001 0.000 0.211 904 L C 2.394 179.246 176.870 -0.031 0.000 1.071 904 L CA 2.002 56.822 54.840 -0.034 0.000 0.749 904 L CB -0.674 41.362 42.059 -0.037 0.000 0.890 904 L HN 0.122 nan 8.230 nan 0.000 0.431 905 V N -0.429 119.436 119.914 -0.082 0.000 2.252 905 V HA -0.378 3.742 4.120 0.001 0.000 0.249 905 V C 2.493 178.586 176.094 -0.002 0.000 1.056 905 V CA 2.470 64.716 62.300 -0.091 0.000 1.022 905 V CB -1.234 30.394 31.823 -0.325 0.000 0.641 905 V HN 0.602 nan 8.190 nan 0.000 0.445 906 T N 0.114 114.686 114.554 0.030 0.000 2.684 906 T HA -0.146 4.204 4.350 0.001 0.000 0.267 906 T C 1.839 176.596 174.700 0.095 0.000 1.036 906 T CA 1.876 64.039 62.100 0.105 0.000 1.148 906 T CB -0.321 68.648 68.868 0.168 0.000 0.863 906 T HN 0.322 nan 8.240 nan 0.000 0.436 907 I N 1.004 121.623 120.570 0.081 0.000 2.208 907 I HA -0.163 4.008 4.170 0.001 0.000 0.245 907 I C 2.696 178.877 176.117 0.108 0.000 1.097 907 I CA 1.209 62.570 61.300 0.102 0.000 1.363 907 I CB -0.343 37.720 38.000 0.106 0.000 1.051 907 I HN 0.181 nan 8.210 nan 0.000 0.413 908 E N 0.199 120.454 120.200 0.091 0.000 2.150 908 E HA -0.165 4.186 4.350 0.001 0.000 0.193 908 E C 2.181 178.915 176.600 0.224 0.000 0.985 908 E CA 1.014 57.498 56.400 0.140 0.000 0.814 908 E CB -0.149 29.585 29.700 0.058 0.000 0.752 908 E HN 0.413 nan 8.360 nan 0.000 0.466 909 M N -0.313 119.373 119.600 0.144 0.000 2.200 909 M HA -0.101 4.380 4.480 0.001 0.000 0.265 909 M C 2.399 178.753 176.300 0.090 0.000 1.066 909 M CA 0.770 56.139 55.300 0.116 0.000 1.127 909 M CB -1.115 31.542 32.600 0.095 0.000 1.379 909 M HN 0.158 nan 8.290 nan 0.000 0.420 910 C N 0.175 119.533 119.300 0.096 0.000 2.457 910 C HA -0.071 4.390 4.460 0.001 0.000 0.278 910 C C 2.461 177.498 174.990 0.078 0.000 1.309 910 C CA 0.784 59.846 59.018 0.072 0.000 1.735 910 C CB -1.388 26.396 27.740 0.073 0.000 1.992 910 C HN 0.578 nan 8.230 nan 0.000 0.493 911 N N 0.817 119.600 118.700 0.138 0.000 2.459 911 N HA 0.001 4.741 4.740 0.001 0.000 0.181 911 N C 1.607 177.216 175.510 0.165 0.000 1.046 911 N CA 1.067 54.229 53.050 0.186 0.000 0.904 911 N CB -0.096 38.537 38.487 0.243 0.000 0.964 911 N HN 0.482 nan 8.380 nan 0.000 0.444 912 A N 0.107 122.949 122.820 0.038 0.000 1.897 912 A HA -0.011 4.310 4.320 0.001 0.000 0.215 912 A C 2.088 179.551 177.584 -0.202 0.000 1.181 912 A CA 0.754 52.543 52.037 -0.412 0.000 0.620 912 A CB -0.577 18.186 19.000 -0.395 0.000 0.821 912 A HN 0.291 nan 8.150 nan 0.000 0.443 913 L N 0.005 121.181 121.223 -0.078 0.000 2.083 913 L HA -0.175 4.166 4.340 0.001 0.000 0.209 913 L C 1.862 178.707 176.870 -0.042 0.000 1.083 913 L CA 1.024 55.830 54.840 -0.057 0.000 0.752 913 L CB -0.609 41.431 42.059 -0.031 0.000 0.899 913 L HN 0.399 nan 8.230 nan 0.000 0.433 914 N N -0.602 118.096 118.700 -0.004 0.000 2.520 914 N HA -0.091 4.649 4.740 0.001 0.000 0.185 914 N C 1.538 177.065 175.510 0.029 0.000 1.068 914 N CA 0.850 53.913 53.050 0.022 0.000 0.911 914 N CB 0.095 38.619 38.487 0.061 0.000 0.961 914 N HN 0.192 nan 8.380 nan 0.000 0.446 915 S N 0.440 116.140 115.700 0.001 0.000 2.556 915 S HA 0.255 4.725 4.470 0.001 0.000 0.216 915 S C 1.868 176.447 174.600 -0.036 0.000 0.970 915 S CA -0.317 57.884 58.200 0.002 0.000 0.912 915 S CB 0.369 63.554 63.200 -0.026 0.000 0.790 915 S HN 0.223 nan 8.310 nan 0.000 0.504 916 L N 0.703 121.897 121.223 -0.049 0.000 2.046 916 L HA 0.000 4.341 4.340 0.001 0.000 0.208 916 L C 1.278 178.128 176.870 -0.033 0.000 1.077 916 L CA 0.843 55.656 54.840 -0.046 0.000 0.747 916 L CB -0.032 41.991 42.059 -0.060 0.000 0.896 916 L HN 0.241 nan 8.230 nan 0.000 0.432 917 S N -1.909 113.775 115.700 -0.026 0.000 2.548 917 S HA 0.153 4.623 4.470 0.001 0.000 0.286 917 S C 0.538 175.137 174.600 -0.002 0.000 1.098 917 S CA -0.774 57.414 58.200 -0.019 0.000 0.930 917 S CB 1.964 65.148 63.200 -0.027 0.000 1.070 917 S HN 0.223 nan 8.310 nan 0.000 0.480 918 E N 2.428 122.628 120.200 0.000 0.000 2.046 918 E HA -0.012 4.338 4.350 0.001 0.000 0.190 918 E C 0.718 177.330 176.600 0.019 0.000 0.982 918 E CA 1.113 57.522 56.400 0.015 0.000 0.800 918 E CB -0.047 29.660 29.700 0.011 0.000 0.756 918 E HN 0.806 nan 8.360 nan 0.000 0.449 919 N N -0.516 118.188 118.700 0.007 0.000 2.170 919 N HA 0.054 4.794 4.740 0.001 0.000 0.222 919 N C -0.706 174.795 175.510 -0.016 0.000 1.218 919 N CA -0.312 52.740 53.050 0.004 0.000 0.889 919 N CB 0.871 39.351 38.487 -0.012 0.000 1.083 919 N HN -0.032 nan 8.380 nan 0.000 0.520 920 Q N 1.177 120.966 119.800 -0.018 0.000 2.257 920 Q HA 0.217 4.557 4.340 0.001 0.000 0.255 920 Q C -0.164 175.823 176.000 -0.021 0.000 0.920 920 Q CA -0.060 55.725 55.803 -0.029 0.000 0.927 920 Q CB 1.852 30.568 28.738 -0.037 0.000 1.229 920 Q HN 0.029 nan 8.270 nan 0.000 0.433 921 S N 1.848 117.539 115.700 -0.015 0.000 2.568 921 S HA 0.080 4.550 4.470 0.001 0.000 0.282 921 S C 1.318 175.895 174.600 -0.040 0.000 1.338 921 S CA -0.321 57.878 58.200 -0.002 0.000 1.045 921 S CB 0.341 63.556 63.200 0.025 0.000 0.873 921 S HN 0.654 nan 8.310 nan 0.000 0.516 922 L N 3.812 125.006 121.223 -0.049 0.000 2.549 922 L HA -0.097 4.243 4.340 0.001 0.000 0.230 922 L C 1.956 178.748 176.870 -0.130 0.000 1.162 922 L CA 0.401 55.176 54.840 -0.107 0.000 0.834 922 L CB -0.311 41.691 42.059 -0.096 0.000 0.947 922 L HN 0.688 nan 8.230 nan 0.000 0.452 923 M N -1.311 118.249 119.600 -0.067 0.000 2.248 923 M HA -0.033 4.447 4.480 0.001 0.000 0.265 923 M C 2.297 178.568 176.300 -0.048 0.000 1.079 923 M CA 1.373 56.647 55.300 -0.043 0.000 1.150 923 M CB -0.793 31.809 32.600 0.003 0.000 1.366 923 M HN 0.149 nan 8.290 nan 0.000 0.433 924 R N -0.187 120.286 120.500 -0.044 0.000 2.062 924 R HA 0.101 4.441 4.340 0.001 0.000 0.229 924 R C 1.068 177.326 176.300 -0.070 0.000 1.128 924 R CA 0.733 56.809 56.100 -0.039 0.000 0.960 924 R CB -0.263 30.017 30.300 -0.033 0.000 0.855 924 R HN 0.320 nan 8.270 nan 0.000 0.432 925 M N 2.290 121.828 119.600 -0.103 0.000 2.268 925 M HA 0.307 4.787 4.480 0.001 0.000 0.340 925 M C -2.486 173.659 176.300 -0.258 0.000 1.099 925 M CA -2.105 53.109 55.300 -0.142 0.000 1.053 925 M CB 1.621 34.164 32.600 -0.096 0.000 1.284 925 M HN -0.217 nan 8.290 nan 0.000 0.410 926 P HA 0.126 nan 4.420 nan 0.000 0.271 926 P C -2.340 174.510 177.300 -0.751 0.000 1.233 926 P CA -0.743 61.847 63.100 -0.850 0.000 0.789 926 P CB 0.130 30.806 31.700 -1.706 0.000 0.951 927 P HA -0.135 nan 4.420 nan 0.000 0.217 927 P C 0.708 177.904 177.300 -0.173 0.000 1.150 927 P CA 1.272 64.192 63.100 -0.300 0.000 0.832 927 P CB -0.451 31.157 31.700 -0.154 0.000 0.787 928 W N -1.545 119.759 121.300 0.007 0.000 2.747 928 W HA 0.041 4.701 4.660 0.001 0.000 0.244 928 W C 1.061 177.588 176.519 0.012 0.000 1.270 928 W CA -0.022 57.324 57.345 0.001 0.000 1.333 928 W CB -2.073 27.382 29.460 -0.009 0.000 1.139 928 W HN -0.282 nan 8.180 nan 0.000 0.662 929 V N 1.644 121.535 119.914 -0.038 0.000 2.720 929 V HA -0.209 3.911 4.120 0.001 0.000 0.256 929 V C 0.770 176.921 176.094 0.095 0.000 1.082 929 V CA 1.896 64.215 62.300 0.031 0.000 1.101 929 V CB -0.839 30.944 31.823 -0.066 0.000 0.693 929 V HN 0.356 nan 8.190 nan 0.000 0.479 930 N N 0.169 118.930 118.700 0.101 0.000 2.648 930 N HA 0.179 4.919 4.740 0.001 0.000 0.261 930 N C 0.525 176.130 175.510 0.158 0.000 1.138 930 N CA -0.342 52.806 53.050 0.163 0.000 0.804 930 N CB 0.930 39.508 38.487 0.153 0.000 1.237 930 N HN -0.046 nan 8.380 nan 0.000 0.532 931 I N 1.047 121.682 120.570 0.108 0.000 2.423 931 I HA -0.181 3.990 4.170 0.001 0.000 0.254 931 I C 1.462 177.551 176.117 -0.047 0.000 1.151 931 I CA 0.945 62.235 61.300 -0.016 0.000 1.421 931 I CB -0.731 37.174 38.000 -0.158 0.000 1.079 931 I HN 0.527 nan 8.210 nan 0.000 0.431 932 W N 0.591 121.905 121.300 0.024 0.000 2.358 932 W HA -0.199 4.461 4.660 0.001 0.000 0.303 932 W C 2.491 179.048 176.519 0.063 0.000 1.208 932 W CA 0.492 57.860 57.345 0.038 0.000 1.274 932 W CB -0.870 28.649 29.460 0.098 0.000 1.138 932 W HN 0.070 nan 8.180 nan 0.000 0.515 933 L N 0.360 121.754 121.223 0.284 0.000 1.994 933 L HA -0.168 4.173 4.340 0.001 0.000 0.208 933 L C 2.130 179.054 176.870 0.090 0.000 1.071 933 L CA 1.886 56.815 54.840 0.148 0.000 0.745 933 L CB -1.251 40.859 42.059 0.086 0.000 0.892 933 L HN 0.013 nan 8.230 nan 0.000 0.431 934 L N -0.696 120.572 121.223 0.075 0.000 1.989 934 L HA -0.170 4.170 4.340 0.001 0.000 0.211 934 L C 2.572 179.463 176.870 0.035 0.000 1.071 934 L CA 1.513 56.383 54.840 0.049 0.000 0.749 934 L CB -1.674 40.417 42.059 0.053 0.000 0.890 934 L HN 0.469 nan 8.230 nan 0.000 0.431 935 G N -0.079 108.732 108.800 0.019 0.000 2.442 935 G HA2 -0.314 3.646 3.960 0.001 0.000 0.219 935 G HA3 -0.314 3.646 3.960 0.001 0.000 0.219 935 G C 1.813 176.739 174.900 0.044 0.000 1.141 935 G CA 1.172 46.272 45.100 -0.001 0.000 0.763 935 G HN 0.525 nan 8.290 nan 0.000 0.554 936 S N 0.612 116.365 115.700 0.088 0.000 2.383 936 S HA -0.026 4.444 4.470 0.001 0.000 0.227 936 S C 2.337 176.978 174.600 0.069 0.000 1.026 936 S CA 1.064 59.320 58.200 0.094 0.000 0.981 936 S CB -0.385 62.885 63.200 0.116 0.000 0.818 936 S HN 0.354 nan 8.310 nan 0.000 0.472 937 I N 1.444 122.049 120.570 0.059 0.000 2.208 937 I HA -0.211 3.960 4.170 0.001 0.000 0.245 937 I C 2.603 178.755 176.117 0.060 0.000 1.097 937 I CA 1.115 62.450 61.300 0.058 0.000 1.363 937 I CB -0.715 37.313 38.000 0.047 0.000 1.051 937 I HN 0.423 nan 8.210 nan 0.000 0.413 938 C N 0.207 119.530 119.300 0.039 0.000 2.429 938 C HA -0.146 4.314 4.460 0.001 0.000 0.277 938 C C 2.739 177.754 174.990 0.041 0.000 1.262 938 C CA 0.355 59.386 59.018 0.021 0.000 1.733 938 C CB -0.994 26.742 27.740 -0.006 0.000 2.010 938 C HN 0.516 nan 8.230 nan 0.000 0.483 939 L N 1.315 122.568 121.223 0.051 0.000 2.046 939 L HA -0.099 4.241 4.340 0.001 0.000 0.208 939 L C 2.474 179.408 176.870 0.107 0.000 1.077 939 L CA 2.029 56.910 54.840 0.067 0.000 0.747 939 L CB -0.844 41.253 42.059 0.063 0.000 0.896 939 L HN 0.221 nan 8.230 nan 0.000 0.432 940 S N -0.894 114.872 115.700 0.110 0.000 2.368 940 S HA -0.116 4.355 4.470 0.001 0.000 0.224 940 S C 1.893 176.631 174.600 0.230 0.000 1.029 940 S CA 1.514 59.802 58.200 0.147 0.000 0.988 940 S CB -0.227 63.039 63.200 0.111 0.000 0.838 940 S HN 0.380 nan 8.310 nan 0.000 0.462 941 M N 1.760 121.487 119.600 0.212 0.000 2.175 941 M HA -0.024 4.457 4.480 0.001 0.000 0.264 941 M C 2.432 178.982 176.300 0.418 0.000 1.063 941 M CA 1.365 56.860 55.300 0.325 0.000 1.119 941 M CB -1.808 30.921 32.600 0.216 0.000 1.377 941 M HN 0.454 nan 8.290 nan 0.000 0.415 942 S N 0.006 115.836 115.700 0.215 0.000 2.423 942 S HA -0.047 4.423 4.470 0.001 0.000 0.231 942 S C 1.968 176.726 174.600 0.264 0.000 1.014 942 S CA 0.796 59.092 58.200 0.160 0.000 0.965 942 S CB -0.770 62.455 63.200 0.042 0.000 0.785 942 S HN 0.482 nan 8.310 nan 0.000 0.495 943 L N 0.306 121.711 121.223 0.303 0.000 2.240 943 L HA 0.065 4.405 4.340 0.001 0.000 0.211 943 L C 2.776 179.884 176.870 0.398 0.000 1.106 943 L CA 1.199 56.258 54.840 0.364 0.000 0.793 943 L CB -0.515 41.796 42.059 0.419 0.000 0.927 943 L HN 0.369 nan 8.230 nan 0.000 0.446 944 H N -0.046 119.211 119.070 0.312 0.000 2.363 944 H HA -0.127 4.430 4.556 0.001 0.000 0.301 944 H C 1.831 177.216 175.328 0.094 0.000 1.074 944 H CA 1.593 57.749 56.048 0.180 0.000 1.354 944 H CB -0.083 29.819 29.762 0.232 0.000 1.397 944 H HN 0.152 nan 8.280 nan 0.000 0.516 945 F N -0.564 119.433 119.950 0.078 0.000 2.502 945 F HA -0.020 4.507 4.527 0.001 0.000 0.298 945 F C 2.159 177.979 175.800 0.033 0.000 1.111 945 F CA 0.412 58.427 58.000 0.025 0.000 1.445 945 F CB -0.291 38.683 39.000 -0.043 0.000 1.081 945 F HN 0.221 nan 8.300 nan 0.000 0.558 946 L N 0.926 122.253 121.223 0.173 0.000 2.044 946 L HA -0.085 4.255 4.340 0.001 0.000 0.205 946 L C 2.124 179.002 176.870 0.013 0.000 1.075 946 L CA 1.676 56.582 54.840 0.110 0.000 0.747 946 L CB -0.660 41.478 42.059 0.132 0.000 0.903 946 L HN 0.260 nan 8.230 nan 0.000 0.435 947 I N -3.716 116.754 120.570 -0.166 0.000 3.444 947 I HA -0.072 4.098 4.170 0.001 0.000 0.287 947 I C 1.588 177.581 176.117 -0.208 0.000 1.302 947 I CA 0.719 61.845 61.300 -0.290 0.000 1.368 947 I CB -0.298 37.210 38.000 -0.820 0.000 1.048 947 I HN 0.203 nan 8.210 nan 0.000 0.487 948 L N -0.793 120.346 121.223 -0.140 0.000 2.316 948 L HA 0.083 4.423 4.340 0.001 0.000 0.207 948 L C 1.966 178.782 176.870 -0.089 0.000 1.070 948 L CA 0.717 55.469 54.840 -0.146 0.000 0.820 948 L CB -0.208 41.746 42.059 -0.175 0.000 0.992 948 L HN 0.183 nan 8.230 nan 0.000 0.466 949 Y N -0.694 119.570 120.300 -0.060 0.000 2.422 949 Y HA 0.112 4.662 4.550 0.001 0.000 0.291 949 Y C 1.391 177.291 175.900 -0.001 0.000 1.144 949 Y CA -0.396 57.700 58.100 -0.006 0.000 1.208 949 Y CB -0.138 38.350 38.460 0.048 0.000 1.195 949 Y HN -0.328 nan 8.280 nan 0.000 0.535 950 V N 3.668 123.682 119.914 0.167 0.000 2.278 950 V HA -0.127 3.993 4.120 0.001 0.000 0.235 950 V C 0.664 176.790 176.094 0.052 0.000 1.281 950 V CA 0.096 62.455 62.300 0.098 0.000 1.351 950 V CB -1.258 30.617 31.823 0.087 0.000 1.411 950 V HN 0.435 nan 8.190 nan 0.000 0.491 951 D N 4.264 124.685 120.400 0.034 0.000 4.742 951 D HA -0.280 4.361 4.640 0.001 0.000 0.284 951 D C -0.324 175.976 176.300 0.000 0.000 1.470 951 D CA 2.459 56.461 54.000 0.004 0.000 0.932 951 D CB -1.623 39.180 40.800 0.005 0.000 0.901 951 D HN 0.468 nan 8.370 nan 0.000 0.689 952 P HA -0.129 nan 4.420 nan 0.000 0.217 952 P C 1.960 179.260 177.300 0.001 0.000 1.151 952 P CA 1.015 64.116 63.100 0.002 0.000 0.849 952 P CB -0.138 31.570 31.700 0.013 0.000 0.787 953 L N -0.242 120.999 121.223 0.031 0.000 2.007 953 L HA -0.032 4.309 4.340 0.001 0.000 0.205 953 L C -0.252 176.681 176.870 0.106 0.000 1.073 953 L CA 1.708 56.600 54.840 0.087 0.000 0.744 953 L CB -2.538 39.573 42.059 0.086 0.000 0.898 953 L HN 0.050 nan 8.230 nan 0.000 0.435 954 P HA -0.260 nan 4.420 nan 0.000 0.218 954 P C 1.711 178.999 177.300 -0.021 0.000 1.146 954 P CA 1.865 64.951 63.100 -0.022 0.000 0.813 954 P CB -0.065 31.581 31.700 -0.090 0.000 0.778 955 M N -0.706 118.875 119.600 -0.032 0.000 2.160 955 M HA -0.052 4.428 4.480 0.001 0.000 0.264 955 M C 2.263 178.521 176.300 -0.070 0.000 1.073 955 M CA 1.459 56.729 55.300 -0.050 0.000 1.142 955 M CB -0.513 32.057 32.600 -0.050 0.000 1.358 955 M HN -0.223 nan 8.290 nan 0.000 0.422 956 I N 0.238 120.742 120.570 -0.110 0.000 2.248 956 I HA -0.309 3.861 4.170 0.001 0.000 0.248 956 I C 1.386 177.286 176.117 -0.362 0.000 1.107 956 I CA 1.497 62.647 61.300 -0.251 0.000 1.373 956 I CB -0.327 37.458 38.000 -0.359 0.000 1.055 956 I HN 0.240 nan 8.210 nan 0.000 0.418 957 F N 0.487 120.381 119.950 -0.094 0.000 2.727 957 F HA 0.117 4.645 4.527 0.001 0.000 0.302 957 F C 0.845 176.585 175.800 -0.099 0.000 1.097 957 F CA -0.091 57.848 58.000 -0.103 0.000 1.330 957 F CB -0.022 38.872 39.000 -0.177 0.000 1.084 957 F HN -0.186 nan 8.300 nan 0.000 0.578 958 K N 0.661 121.077 120.400 0.027 0.000 3.125 958 K HA -0.163 4.157 4.320 0.001 0.000 0.268 958 K C -0.790 175.777 176.600 -0.055 0.000 1.078 958 K CA 0.344 56.617 56.287 -0.022 0.000 0.775 958 K CB -1.965 30.526 32.500 -0.015 0.000 1.253 958 K HN 0.269 nan 8.250 nan 0.000 0.486 959 L N -0.412 120.772 121.223 -0.064 0.000 2.304 959 L HA 0.614 4.954 4.340 0.001 0.000 0.268 959 L C 0.192 176.950 176.870 -0.187 0.000 1.010 959 L CA -1.134 53.620 54.840 -0.143 0.000 0.813 959 L CB 1.634 43.596 42.059 -0.162 0.000 1.315 959 L HN -0.065 nan 8.230 nan 0.000 0.445 960 K N 1.508 121.759 120.400 -0.248 0.000 2.619 960 K HA 0.458 4.778 4.320 0.001 0.000 0.251 960 K C -1.102 175.324 176.600 -0.291 0.000 0.987 960 K CA -0.435 55.698 56.287 -0.257 0.000 0.844 960 K CB 1.901 34.250 32.500 -0.252 0.000 1.237 960 K HN 0.680 nan 8.250 nan 0.000 0.447 961 A N 5.204 127.824 122.820 -0.334 0.000 2.616 961 A HA 0.052 4.372 4.320 0.001 0.000 0.234 961 A C 0.152 177.624 177.584 -0.187 0.000 1.024 961 A CA 0.476 52.311 52.037 -0.337 0.000 0.758 961 A CB -0.104 18.527 19.000 -0.616 0.000 0.939 961 A HN 0.677 nan 8.150 nan 0.000 0.510 962 L N 1.279 122.431 121.223 -0.118 0.000 2.416 962 L HA 0.372 4.712 4.340 0.001 0.000 0.262 962 L C 0.407 177.361 176.870 0.140 0.000 1.093 962 L CA -0.710 54.071 54.840 -0.099 0.000 0.801 962 L CB 1.244 43.034 42.059 -0.448 0.000 1.191 962 L HN 0.915 nan 8.230 nan 0.000 0.459 963 D N 0.039 120.527 120.400 0.147 0.000 2.253 963 D HA 0.129 4.770 4.640 0.001 0.000 0.249 963 D C 0.688 177.169 176.300 0.303 0.000 1.049 963 D CA -0.530 53.600 54.000 0.216 0.000 0.929 963 D CB 1.320 42.226 40.800 0.175 0.000 1.176 963 D HN 0.324 nan 8.370 nan 0.000 0.437 964 L N 2.585 123.977 121.223 0.281 0.000 2.189 964 L HA -0.128 4.212 4.340 0.001 0.000 0.214 964 L C 1.741 178.763 176.870 0.253 0.000 1.097 964 L CA 2.020 57.026 54.840 0.275 0.000 0.764 964 L CB -0.812 41.354 42.059 0.178 0.000 0.900 964 L HN 0.619 nan 8.230 nan 0.000 0.436 965 T N -1.014 113.673 114.554 0.221 0.000 2.896 965 T HA -0.111 4.240 4.350 0.001 0.000 0.263 965 T C 1.724 176.558 174.700 0.224 0.000 1.050 965 T CA 1.362 63.587 62.100 0.209 0.000 1.140 965 T CB -0.046 68.950 68.868 0.213 0.000 0.877 965 T HN 0.534 nan 8.240 nan 0.000 0.457 966 Q N -0.591 119.358 119.800 0.247 0.000 2.172 966 Q HA -0.050 4.291 4.340 0.001 0.000 0.200 966 Q C 1.990 178.008 176.000 0.031 0.000 0.964 966 Q CA 0.961 56.875 55.803 0.186 0.000 0.855 966 Q CB -0.180 28.669 28.738 0.184 0.000 0.918 966 Q HN 0.600 nan 8.270 nan 0.000 0.444 967 W N 0.608 121.943 121.300 0.058 0.000 2.409 967 W HA -0.100 4.560 4.660 0.000 0.000 0.299 967 W C 1.689 178.213 176.519 0.010 0.000 1.203 967 W CA 0.112 57.483 57.345 0.043 0.000 1.298 967 W CB 0.099 29.614 29.460 0.093 0.000 1.127 967 W HN 0.099 nan 8.180 nan 0.000 0.528 968 L N -0.265 121.130 121.223 0.286 0.000 2.191 968 L HA -0.203 4.137 4.340 0.001 0.000 0.212 968 L C 2.253 179.146 176.870 0.038 0.000 1.103 968 L CA 1.532 56.464 54.840 0.153 0.000 0.769 968 L CB -1.042 41.087 42.059 0.117 0.000 0.908 968 L HN 0.038 nan 8.230 nan 0.000 0.438 969 M N -1.995 117.559 119.600 -0.076 0.000 2.419 969 M HA -0.025 4.456 4.480 0.001 0.000 0.264 969 M C 1.876 178.030 176.300 -0.243 0.000 1.082 969 M CA 1.299 56.419 55.300 -0.300 0.000 1.119 969 M CB -0.278 31.853 32.600 -0.782 0.000 1.398 969 M HN -0.019 nan 8.290 nan 0.000 0.453 970 V N 0.164 120.016 119.914 -0.105 0.000 2.239 970 V HA -0.251 3.869 4.120 0.001 0.000 0.242 970 V C 2.329 178.454 176.094 0.052 0.000 1.038 970 V CA 1.903 64.176 62.300 -0.044 0.000 1.002 970 V CB -0.779 31.056 31.823 0.021 0.000 0.641 970 V HN 0.496 nan 8.190 nan 0.000 0.449 971 L N -0.278 121.038 121.223 0.155 0.000 2.129 971 L HA -0.275 4.066 4.340 0.001 0.000 0.212 971 L C 2.559 179.468 176.870 0.066 0.000 1.087 971 L CA 1.818 56.736 54.840 0.130 0.000 0.757 971 L CB -0.688 41.454 42.059 0.138 0.000 0.896 971 L HN 0.344 nan 8.230 nan 0.000 0.434 972 K N 0.566 120.981 120.400 0.024 0.000 2.026 972 K HA -0.144 4.176 4.320 0.001 0.000 0.208 972 K C 2.058 178.661 176.600 0.004 0.000 1.048 972 K CA 1.352 57.638 56.287 -0.002 0.000 0.929 972 K CB -0.014 32.454 32.500 -0.053 0.000 0.713 972 K HN 0.244 nan 8.250 nan 0.000 0.439 973 I N 0.001 120.555 120.570 -0.027 0.000 2.333 973 I HA -0.203 3.968 4.170 0.001 0.000 0.246 973 I C 2.144 178.319 176.117 0.095 0.000 1.106 973 I CA 0.671 61.967 61.300 -0.008 0.000 1.411 973 I CB -0.125 37.814 38.000 -0.101 0.000 1.082 973 I HN 0.095 nan 8.210 nan 0.000 0.420 974 S N 1.160 116.911 115.700 0.085 0.000 2.343 974 S HA -0.085 4.385 4.470 0.001 0.000 0.212 974 S C 1.986 176.668 174.600 0.137 0.000 1.033 974 S CA 0.806 59.085 58.200 0.131 0.000 1.004 974 S CB -0.423 62.842 63.200 0.109 0.000 0.977 974 S HN 0.221 nan 8.310 nan 0.000 0.427 975 L N 2.417 123.698 121.223 0.097 0.000 2.113 975 L HA -0.171 4.169 4.340 0.001 0.000 0.221 975 L C -0.603 176.295 176.870 0.047 0.000 1.084 975 L CA 2.069 56.950 54.840 0.069 0.000 0.787 975 L CB -2.812 39.282 42.059 0.057 0.000 0.893 975 L HN 0.308 nan 8.230 nan 0.000 0.440 976 P HA -0.141 nan 4.420 nan 0.000 0.219 976 P C 2.014 179.236 177.300 -0.130 0.000 1.146 976 P CA 1.041 64.142 63.100 0.003 0.000 0.808 976 P CB -0.104 31.639 31.700 0.072 0.000 0.779 977 V N 0.243 120.071 119.914 -0.144 0.000 2.453 977 V HA -0.229 3.891 4.120 0.001 0.000 0.252 977 V C 2.408 178.414 176.094 -0.146 0.000 1.068 977 V CA 1.440 63.563 62.300 -0.295 0.000 1.070 977 V CB -1.002 30.783 31.823 -0.064 0.000 0.664 977 V HN -0.031 nan 8.190 nan 0.000 0.461 978 I N 0.290 120.826 120.570 -0.057 0.000 2.286 978 I HA -0.144 4.026 4.170 0.001 0.000 0.248 978 I C 2.483 178.579 176.117 -0.035 0.000 1.115 978 I CA 1.568 62.853 61.300 -0.025 0.000 1.392 978 I CB -0.865 37.133 38.000 -0.003 0.000 1.065 978 I HN 0.447 nan 8.210 nan 0.000 0.418 979 G N 0.776 109.543 108.800 -0.053 0.000 2.421 979 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 979 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 979 G C 1.612 176.479 174.900 -0.054 0.000 1.143 979 G CA 0.212 45.287 45.100 -0.042 0.000 0.784 979 G HN 0.235 nan 8.290 nan 0.000 0.541 980 L N 1.113 122.261 121.223 -0.125 0.000 2.017 980 L HA -0.012 4.329 4.340 0.001 0.000 0.208 980 L C 2.077 178.923 176.870 -0.041 0.000 1.073 980 L CA 2.588 57.349 54.840 -0.133 0.000 0.745 980 L CB -0.761 41.108 42.059 -0.318 0.000 0.894 980 L HN 0.209 nan 8.230 nan 0.000 0.432 981 D N -1.076 119.303 120.400 -0.035 0.000 2.144 981 D HA -0.199 4.441 4.640 0.001 0.000 0.200 981 D C 2.085 178.429 176.300 0.073 0.000 0.978 981 D CA 0.922 54.935 54.000 0.022 0.000 0.833 981 D CB 0.118 40.931 40.800 0.022 0.000 0.961 981 D HN 0.413 nan 8.370 nan 0.000 0.470 982 E N -0.147 120.086 120.200 0.055 0.000 2.085 982 E HA -0.147 4.204 4.350 0.001 0.000 0.194 982 E C 2.059 178.748 176.600 0.148 0.000 0.994 982 E CA 0.988 57.439 56.400 0.086 0.000 0.801 982 E CB -0.137 29.594 29.700 0.052 0.000 0.743 982 E HN 0.418 nan 8.360 nan 0.000 0.453 983 I N -0.084 120.559 120.570 0.121 0.000 2.252 983 I HA -0.256 3.914 4.170 0.001 0.000 0.245 983 I C 2.118 178.410 176.117 0.292 0.000 1.102 983 I CA 0.820 62.217 61.300 0.162 0.000 1.385 983 I CB -0.272 37.789 38.000 0.102 0.000 1.064 983 I HN 0.131 nan 8.210 nan 0.000 0.414 984 L N 0.478 121.877 121.223 0.294 0.000 2.131 984 L HA -0.191 4.150 4.340 0.001 0.000 0.210 984 L C 2.534 179.711 176.870 0.512 0.000 1.092 984 L CA 1.378 56.513 54.840 0.491 0.000 0.759 984 L CB -0.564 41.678 42.059 0.306 0.000 0.903 984 L HN 0.190 nan 8.230 nan 0.000 0.435 985 K N -0.455 120.127 120.400 0.304 0.000 2.057 985 K HA -0.165 4.155 4.320 0.001 0.000 0.206 985 K C 2.104 178.785 176.600 0.135 0.000 1.050 985 K CA 1.324 57.733 56.287 0.204 0.000 0.935 985 K CB -0.224 32.350 32.500 0.125 0.000 0.715 985 K HN 0.086 nan 8.250 nan 0.000 0.439 986 F N 1.941 121.919 119.950 0.047 0.000 2.161 986 F HA -0.197 4.330 4.527 0.001 0.000 0.300 986 F C 1.859 177.611 175.800 -0.080 0.000 1.089 986 F CA 1.347 59.337 58.000 -0.017 0.000 1.282 986 F CB -0.017 38.997 39.000 0.023 0.000 1.010 986 F HN -0.082 nan 8.300 nan 0.000 0.485 987 I N -0.189 120.517 120.570 0.226 0.000 2.315 987 I HA -0.251 3.920 4.170 0.001 0.000 0.248 987 I C 2.604 178.497 176.117 -0.373 0.000 1.117 987 I CA 1.034 62.351 61.300 0.029 0.000 1.404 987 I CB -0.887 37.118 38.000 0.009 0.000 1.071 987 I HN 0.189 nan 8.210 nan 0.000 0.419 988 A N 0.727 123.311 122.820 -0.394 0.000 1.969 988 A HA -0.126 4.195 4.320 0.001 0.000 0.218 988 A C 2.399 179.794 177.584 -0.316 0.000 1.169 988 A CA 1.163 52.927 52.037 -0.455 0.000 0.635 988 A CB -0.415 18.477 19.000 -0.180 0.000 0.810 988 A HN 0.298 nan 8.150 nan 0.000 0.445 989 R N -0.933 119.373 120.500 -0.324 0.000 2.119 989 R HA -0.026 4.314 4.340 0.001 0.000 0.222 989 R C 1.315 177.334 176.300 -0.468 0.000 1.088 989 R CA 1.552 57.435 56.100 -0.361 0.000 0.984 989 R CB -0.091 29.973 30.300 -0.393 0.000 0.884 989 R HN 0.595 nan 8.270 nan 0.000 0.447 990 N N -1.282 117.017 118.700 -0.669 0.000 2.571 990 N HA -0.009 4.732 4.740 0.001 0.000 0.195 990 N C 0.098 175.189 175.510 -0.699 0.000 1.040 990 N CA 0.606 53.172 53.050 -0.806 0.000 0.890 990 N CB 0.180 37.906 38.487 -1.269 0.000 1.233 990 N HN 0.076 nan 8.380 nan 0.000 0.435 991 Y N 0.818 120.996 120.300 -0.202 0.000 2.718 991 Y HA 0.487 5.038 4.550 0.001 0.000 0.322 991 Y C -0.343 175.422 175.900 -0.225 0.000 1.122 991 Y CA -0.173 57.821 58.100 -0.176 0.000 1.348 991 Y CB -0.188 38.186 38.460 -0.144 0.000 1.174 991 Y HN -0.093 nan 8.280 nan 0.000 0.523 992 L N 1.094 122.211 121.223 -0.176 0.000 2.457 992 L HA 0.355 4.696 4.340 0.001 0.000 0.259 992 L C -0.807 175.980 176.870 -0.139 0.000 1.377 992 L CA -0.277 54.458 54.840 -0.175 0.000 0.887 992 L CB 0.858 42.748 42.059 -0.281 0.000 1.085 992 L HN -0.010 nan 8.230 nan 0.000 0.509 993 E N 1.049 121.191 120.200 -0.097 0.000 2.320 993 E HA 0.918 5.268 4.350 0.001 0.000 0.264 993 E C -0.085 176.484 176.600 -0.052 0.000 0.923 993 E CA -0.689 55.663 56.400 -0.080 0.000 0.796 993 E CB 3.054 32.705 29.700 -0.082 0.000 1.262 993 E HN 0.438 nan 8.360 nan 0.000 0.428 994 G N 0.000 108.774 108.800 -0.043 0.000 5.446 994 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 994 G CA 0.000 45.083 45.100 -0.029 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925