REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1vfp_1_B DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.218 55.300 -0.136 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.031 0.000 1.302 2 E N 0.768 120.863 120.200 -0.175 0.000 2.431 2 E HA 0.618 4.975 4.350 0.011 0.000 0.287 2 E C -1.012 175.554 176.600 -0.056 0.000 1.032 2 E CA 0.325 56.693 56.400 -0.054 0.000 0.839 2 E CB 1.675 31.363 29.700 -0.019 0.000 1.218 2 E HN 1.905 nan 8.360 nan 0.000 0.424 3 A N 1.753 124.616 122.820 0.072 0.000 2.826 3 A HA -0.290 4.036 4.320 0.011 0.000 0.274 3 A C 1.457 179.029 177.584 -0.019 0.000 1.443 3 A CA 1.760 53.867 52.037 0.117 0.000 0.833 3 A CB -2.284 16.705 19.000 -0.018 0.000 1.023 3 A HN 1.023 nan 8.150 nan 0.000 0.600 4 A N 0.186 123.034 122.820 0.046 0.000 2.032 4 A HA -0.172 4.154 4.320 0.011 0.000 0.221 4 A C 1.817 179.408 177.584 0.012 0.000 1.165 4 A CA 2.092 54.119 52.037 -0.016 0.000 0.645 4 A CB -0.955 18.058 19.000 0.022 0.000 0.807 4 A HN 1.605 nan 8.150 nan 0.000 0.453 5 H N 0.062 119.119 119.070 -0.022 0.000 2.457 5 H HA -0.064 4.499 4.556 0.011 0.000 0.294 5 H C 2.024 177.347 175.328 -0.007 0.000 1.064 5 H CA 1.770 57.814 56.048 -0.008 0.000 1.330 5 H CB -1.034 28.738 29.762 0.018 0.000 1.395 5 H HN 0.571 nan 8.280 nan 0.000 0.541 6 S N 0.661 115.924 115.700 -0.728 0.000 2.387 6 S HA -0.023 4.454 4.470 0.011 0.000 0.226 6 S C 1.053 175.522 174.600 -0.218 0.000 1.026 6 S CA -0.023 57.883 58.200 -0.491 0.000 0.972 6 S CB 0.027 62.929 63.200 -0.497 0.000 0.814 6 S HN 0.349 nan 8.310 nan 0.000 0.477 7 K N 1.827 122.123 120.400 -0.173 0.000 2.117 7 K HA 0.416 4.743 4.320 0.011 0.000 0.240 7 K C 0.504 177.071 176.600 -0.056 0.000 1.031 7 K CA -0.057 56.170 56.287 -0.099 0.000 0.909 7 K CB 0.730 33.171 32.500 -0.098 0.000 1.097 7 K HN 0.433 nan 8.250 nan 0.000 0.492 8 S N -1.067 114.614 115.700 -0.031 0.000 2.713 8 S HA 0.058 4.535 4.470 0.011 0.000 0.277 8 S C 1.415 176.018 174.600 0.006 0.000 1.168 8 S CA -0.119 58.075 58.200 -0.010 0.000 0.994 8 S CB 1.074 64.270 63.200 -0.007 0.000 1.054 8 S HN 0.715 nan 8.310 nan 0.000 0.555 9 T N -0.789 113.773 114.554 0.013 0.000 2.746 9 T HA -0.125 4.232 4.350 0.011 0.000 0.267 9 T C 1.303 176.025 174.700 0.035 0.000 1.039 9 T CA 1.654 63.769 62.100 0.025 0.000 1.142 9 T CB -0.899 67.981 68.868 0.020 0.000 0.866 9 T HN 0.684 nan 8.240 nan 0.000 0.444 10 E N 1.635 121.850 120.200 0.026 0.000 2.077 10 E HA -0.073 4.284 4.350 0.011 0.000 0.193 10 E C 2.388 179.013 176.600 0.043 0.000 0.989 10 E CA 1.373 57.792 56.400 0.031 0.000 0.800 10 E CB -0.307 29.405 29.700 0.019 0.000 0.746 10 E HN 0.706 nan 8.360 nan 0.000 0.452 11 E N 0.053 120.272 120.200 0.032 0.000 2.085 11 E HA -0.194 4.163 4.350 0.011 0.000 0.194 11 E C 2.154 178.796 176.600 0.070 0.000 0.994 11 E CA 1.299 57.721 56.400 0.036 0.000 0.801 11 E CB -0.285 29.418 29.700 0.005 0.000 0.743 11 E HN 0.299 nan 8.360 nan 0.000 0.453 12 C N 0.887 120.228 119.300 0.068 0.000 2.453 12 C HA -0.087 4.379 4.460 0.011 0.000 0.277 12 C C 2.697 177.826 174.990 0.231 0.000 1.262 12 C CA 0.322 59.415 59.018 0.124 0.000 1.718 12 C CB -0.967 26.839 27.740 0.110 0.000 2.031 12 C HN 0.365 nan 8.230 nan 0.000 0.480 13 L N 1.293 122.616 121.223 0.167 0.000 1.989 13 L HA -0.181 4.165 4.340 0.011 0.000 0.211 13 L C 2.949 179.923 176.870 0.172 0.000 1.071 13 L CA 1.743 56.686 54.840 0.172 0.000 0.749 13 L CB -0.963 41.155 42.059 0.098 0.000 0.890 13 L HN 0.342 nan 8.230 nan 0.000 0.431 14 A N -0.403 122.487 122.820 0.117 0.000 1.873 14 A HA -0.343 3.984 4.320 0.011 0.000 0.218 14 A C 2.230 179.859 177.584 0.074 0.000 1.193 14 A CA 2.109 54.195 52.037 0.082 0.000 0.629 14 A CB -1.265 17.770 19.000 0.059 0.000 0.826 14 A HN 0.525 nan 8.150 nan 0.000 0.447 15 Y N -1.279 118.985 120.300 -0.059 0.000 2.298 15 Y HA -0.205 4.352 4.550 0.011 0.000 0.287 15 Y C 1.498 177.233 175.900 -0.275 0.000 1.164 15 Y CA 2.000 59.974 58.100 -0.211 0.000 1.229 15 Y CB -0.198 38.052 38.460 -0.349 0.000 0.977 15 Y HN 0.303 nan 8.280 nan 0.000 0.538 16 F N -0.904 119.110 119.950 0.105 0.000 2.706 16 F HA 0.324 4.858 4.527 0.011 0.000 0.308 16 F C 1.466 177.309 175.800 0.070 0.000 1.095 16 F CA 0.205 58.250 58.000 0.076 0.000 1.244 16 F CB 0.553 39.661 39.000 0.181 0.000 1.063 16 F HN -0.041 nan 8.300 nan 0.000 0.582 17 G N 2.299 111.216 108.800 0.195 0.000 2.392 17 G HA2 -0.144 3.822 3.960 0.011 0.000 0.290 17 G HA3 -0.144 3.822 3.960 0.011 0.000 0.290 17 G C -0.794 174.189 174.900 0.139 0.000 1.032 17 G CA 0.135 45.312 45.100 0.127 0.000 1.269 17 G HN 0.187 nan 8.290 nan 0.000 0.511 18 V N -0.169 119.827 119.914 0.136 0.000 2.932 18 V HA 0.674 4.801 4.120 0.011 0.000 0.307 18 V C 0.296 176.430 176.094 0.067 0.000 1.147 18 V CA -0.772 61.587 62.300 0.099 0.000 0.951 18 V CB 2.282 34.171 31.823 0.110 0.000 1.031 18 V HN 0.560 nan 8.190 nan 0.000 0.426 19 S N 1.672 117.393 115.700 0.036 0.000 2.475 19 S HA 0.198 4.675 4.470 0.011 0.000 0.281 19 S C 1.011 175.604 174.600 -0.012 0.000 1.198 19 S CA -0.427 57.780 58.200 0.011 0.000 1.063 19 S CB 1.004 64.205 63.200 0.001 0.000 0.972 19 S HN 1.013 nan 8.310 nan 0.000 0.486 20 E N 1.726 121.911 120.200 -0.026 0.000 2.510 20 E HA -0.143 4.214 4.350 0.011 0.000 0.202 20 E C 1.232 177.731 176.600 -0.167 0.000 1.072 20 E CA 1.352 57.713 56.400 -0.066 0.000 0.883 20 E CB -0.320 29.350 29.700 -0.050 0.000 0.818 20 E HN 0.706 nan 8.360 nan 0.000 0.548 21 T N -4.149 110.316 114.554 -0.148 0.000 3.000 21 T HA 0.123 4.480 4.350 0.011 0.000 0.248 21 T C 1.801 176.407 174.700 -0.157 0.000 1.034 21 T CA 0.617 62.584 62.100 -0.221 0.000 1.060 21 T CB 0.240 69.034 68.868 -0.123 0.000 0.983 21 T HN 0.030 nan 8.240 nan 0.000 0.482 22 T N 0.850 115.371 114.554 -0.056 0.000 2.980 22 T HA 0.557 4.913 4.350 0.011 0.000 0.239 22 T C 1.075 175.812 174.700 0.062 0.000 1.011 22 T CA 0.900 63.010 62.100 0.016 0.000 1.171 22 T CB -0.536 68.341 68.868 0.015 0.000 0.873 22 T HN 0.972 nan 8.240 nan 0.000 0.431 23 G N 1.040 109.865 108.800 0.041 0.000 2.655 23 G HA2 0.027 3.993 3.960 0.011 0.000 0.680 23 G HA3 0.027 3.993 3.960 0.011 0.000 0.680 23 G C -1.090 173.826 174.900 0.026 0.000 1.302 23 G CA -1.051 44.084 45.100 0.058 0.000 0.872 23 G HN 0.351 nan 8.290 nan 0.000 0.540 24 L N 0.899 122.121 121.223 -0.001 0.000 2.482 24 L HA 0.521 4.868 4.340 0.011 0.000 0.273 24 L C 1.853 178.697 176.870 -0.043 0.000 1.228 24 L CA 0.809 55.620 54.840 -0.048 0.000 0.827 24 L CB 0.503 42.492 42.059 -0.117 0.000 1.099 24 L HN 1.195 nan 8.230 nan 0.000 0.494 25 T N -0.196 114.320 114.554 -0.063 0.000 2.907 25 T HA 0.391 4.748 4.350 0.011 0.000 0.284 25 T C -1.710 172.951 174.700 -0.064 0.000 1.004 25 T CA -1.728 60.345 62.100 -0.045 0.000 1.063 25 T CB 1.383 70.232 68.868 -0.031 0.000 0.992 25 T HN 0.541 nan 8.240 nan 0.000 0.483 26 P HA -0.222 nan 4.420 nan 0.000 0.217 26 P C 1.020 178.291 177.300 -0.049 0.000 1.148 26 P CA 1.282 64.358 63.100 -0.041 0.000 0.834 26 P CB 0.188 31.875 31.700 -0.022 0.000 0.783 27 D N -0.204 120.169 120.400 -0.045 0.000 2.103 27 D HA -0.145 4.502 4.640 0.011 0.000 0.199 27 D C 2.094 178.354 176.300 -0.068 0.000 0.978 27 D CA 0.991 54.968 54.000 -0.039 0.000 0.829 27 D CB -0.161 40.627 40.800 -0.021 0.000 0.981 27 D HN 0.164 nan 8.370 nan 0.000 0.464 28 Q N 0.169 119.900 119.800 -0.115 0.000 2.077 28 Q HA -0.138 4.209 4.340 0.011 0.000 0.206 28 Q C 2.495 178.241 176.000 -0.424 0.000 0.989 28 Q CA 1.249 56.897 55.803 -0.257 0.000 0.853 28 Q CB 0.038 28.592 28.738 -0.307 0.000 0.907 28 Q HN 0.208 nan 8.270 nan 0.000 0.418 29 V N 1.466 121.207 119.914 -0.288 0.000 2.332 29 V HA -0.302 3.825 4.120 0.011 0.000 0.248 29 V C 2.316 178.355 176.094 -0.091 0.000 1.055 29 V CA 1.998 64.179 62.300 -0.199 0.000 1.038 29 V CB -0.635 31.119 31.823 -0.114 0.000 0.651 29 V HN 0.363 nan 8.190 nan 0.000 0.450 30 K N 0.179 120.541 120.400 -0.064 0.000 2.026 30 K HA -0.224 4.102 4.320 0.011 0.000 0.208 30 K C 2.409 179.015 176.600 0.009 0.000 1.048 30 K CA 1.758 58.032 56.287 -0.022 0.000 0.929 30 K CB -0.111 32.381 32.500 -0.014 0.000 0.713 30 K HN 0.354 nan 8.250 nan 0.000 0.439 31 R N -0.477 120.041 120.500 0.030 0.000 2.062 31 R HA -0.086 4.261 4.340 0.011 0.000 0.231 31 R C 2.398 178.805 176.300 0.178 0.000 1.136 31 R CA 1.921 58.077 56.100 0.093 0.000 0.948 31 R CB -0.534 29.844 30.300 0.129 0.000 0.845 31 R HN 0.488 nan 8.270 nan 0.000 0.430 32 H N 0.207 119.312 119.070 0.058 0.000 2.390 32 H HA -0.146 4.417 4.556 0.011 0.000 0.298 32 H C 2.199 177.605 175.328 0.130 0.000 1.106 32 H CA 1.034 57.185 56.048 0.170 0.000 1.297 32 H CB -0.047 29.846 29.762 0.218 0.000 1.375 32 H HN 0.156 nan 8.280 nan 0.000 0.509 33 L N 0.549 121.859 121.223 0.145 0.000 2.131 33 L HA -0.183 4.164 4.340 0.011 0.000 0.210 33 L C 2.608 179.468 176.870 -0.016 0.000 1.092 33 L CA 1.202 56.033 54.840 -0.014 0.000 0.759 33 L CB -0.157 41.829 42.059 -0.120 0.000 0.903 33 L HN 0.389 nan 8.230 nan 0.000 0.435 34 E N 0.105 120.310 120.200 0.008 0.000 2.122 34 E HA -0.221 4.136 4.350 0.011 0.000 0.190 34 E C 2.097 178.666 176.600 -0.052 0.000 0.977 34 E CA 0.571 56.965 56.400 -0.010 0.000 0.820 34 E CB 0.225 29.922 29.700 -0.005 0.000 0.770 34 E HN 0.254 nan 8.360 nan 0.000 0.462 35 K N -0.924 119.406 120.400 -0.118 0.000 2.418 35 K HA -0.077 4.249 4.320 0.011 0.000 0.195 35 K C 0.360 176.654 176.600 -0.511 0.000 1.035 35 K CA 0.756 56.827 56.287 -0.360 0.000 1.003 35 K CB 0.291 32.459 32.500 -0.555 0.000 0.793 35 K HN 0.173 nan 8.250 nan 0.000 0.494 36 Y N -1.203 119.110 120.300 0.021 0.000 2.515 36 Y HA 0.260 4.817 4.550 0.011 0.000 0.267 36 Y C 0.657 176.566 175.900 0.015 0.000 1.058 36 Y CA 0.076 58.190 58.100 0.024 0.000 1.231 36 Y CB 1.220 39.697 38.460 0.028 0.000 1.350 36 Y HN 0.154 nan 8.280 nan 0.000 0.554 37 G N 0.610 109.482 108.800 0.120 0.000 2.796 37 G HA2 -0.254 3.713 3.960 0.011 0.000 0.226 37 G HA3 -0.254 3.713 3.960 0.011 0.000 0.226 37 G C -0.907 173.998 174.900 0.009 0.000 1.381 37 G CA -0.564 44.579 45.100 0.072 0.000 0.867 37 G HN 0.384 nan 8.290 nan 0.000 0.552 38 H N -0.292 118.820 119.070 0.069 0.000 2.615 38 H HA 0.390 4.953 4.556 0.011 0.000 0.363 38 H C 1.084 176.439 175.328 0.045 0.000 1.148 38 H CA 0.387 56.466 56.048 0.051 0.000 1.401 38 H CB 0.683 30.465 29.762 0.033 0.000 1.461 38 H HN 0.612 nan 8.280 nan 0.000 0.588 39 N N 2.558 121.338 118.700 0.134 0.000 2.892 39 N HA -0.022 4.725 4.740 0.011 0.000 0.300 39 N C -1.146 174.412 175.510 0.080 0.000 1.211 39 N CA -0.221 52.876 53.050 0.079 0.000 1.158 39 N CB -0.368 38.144 38.487 0.042 0.000 1.455 39 N HN 0.720 nan 8.380 nan 0.000 0.524 40 E N 0.631 120.883 120.200 0.086 0.000 2.392 40 E HA 0.351 4.708 4.350 0.011 0.000 0.279 40 E C -1.166 175.465 176.600 0.052 0.000 0.964 40 E CA -0.947 55.489 56.400 0.060 0.000 0.777 40 E CB 0.926 30.658 29.700 0.053 0.000 1.249 40 E HN 0.037 nan 8.360 nan 0.000 0.449 41 L N 1.047 122.291 121.223 0.036 0.000 2.416 41 L HA 0.497 4.844 4.340 0.011 0.000 0.262 41 L C -2.018 174.867 176.870 0.025 0.000 1.093 41 L CA -2.228 52.631 54.840 0.031 0.000 0.801 41 L CB 0.606 42.679 42.059 0.024 0.000 1.191 41 L HN 0.476 nan 8.230 nan 0.000 0.459 42 P HA 0.028 nan 4.420 nan 0.000 0.264 42 P C -0.717 176.589 177.300 0.011 0.000 1.193 42 P CA -0.240 62.871 63.100 0.017 0.000 0.763 42 P CB 0.527 32.237 31.700 0.017 0.000 0.810 43 A N 3.301 126.125 122.820 0.007 0.000 2.515 43 A HA -0.086 4.241 4.320 0.011 0.000 0.276 43 A C 0.735 178.320 177.584 0.003 0.000 1.104 43 A CA 0.225 52.264 52.037 0.003 0.000 0.822 43 A CB -0.845 18.154 19.000 -0.001 0.000 1.016 43 A HN 0.627 nan 8.150 nan 0.000 0.530 44 E N 3.057 123.260 120.200 0.004 0.000 1.979 44 E HA 0.089 4.446 4.350 0.011 0.000 0.285 44 E C 0.440 177.039 176.600 -0.001 0.000 1.188 44 E CA -0.184 56.218 56.400 0.002 0.000 1.214 44 E CB -0.060 29.642 29.700 0.003 0.000 1.210 44 E HN 0.819 nan 8.360 nan 0.000 0.477 45 E N 1.399 121.597 120.200 -0.003 0.000 2.435 45 E HA 0.096 4.453 4.350 0.011 0.000 0.256 45 E C 0.128 176.722 176.600 -0.010 0.000 1.245 45 E CA -0.019 56.376 56.400 -0.007 0.000 0.989 45 E CB 0.470 30.164 29.700 -0.010 0.000 0.983 45 E HN 0.519 nan 8.360 nan 0.000 0.480 46 G N 2.382 111.172 108.800 -0.017 0.000 2.209 46 G HA2 -0.080 3.887 3.960 0.011 0.000 0.271 46 G HA3 -0.080 3.887 3.960 0.011 0.000 0.271 46 G C -0.326 174.564 174.900 -0.017 0.000 1.111 46 G CA 0.240 45.327 45.100 -0.021 0.000 1.092 46 G HN 0.368 nan 8.290 nan 0.000 0.416 47 K N 1.133 121.527 120.400 -0.009 0.000 2.651 47 K HA 0.568 4.894 4.320 0.011 0.000 0.283 47 K C 1.048 177.651 176.600 0.005 0.000 1.018 47 K CA -0.304 55.984 56.287 0.001 0.000 1.127 47 K CB 0.545 33.049 32.500 0.007 0.000 1.501 47 K HN 0.372 nan 8.250 nan 0.000 0.608 48 S N 0.007 115.720 115.700 0.022 0.000 3.672 48 S HA -0.119 4.358 4.470 0.011 0.000 0.319 48 S C 0.686 175.311 174.600 0.042 0.000 1.151 48 S CA 0.280 58.497 58.200 0.028 0.000 0.911 48 S CB -1.636 61.562 63.200 -0.002 0.000 0.939 48 S HN 0.537 nan 8.310 nan 0.000 0.524 49 L N -0.206 121.056 121.223 0.065 0.000 2.021 49 L HA -0.101 4.246 4.340 0.011 0.000 0.215 49 L C 1.878 178.843 176.870 0.158 0.000 1.074 49 L CA 2.779 57.669 54.840 0.082 0.000 0.760 49 L CB -0.281 41.826 42.059 0.080 0.000 0.889 49 L HN 0.739 nan 8.230 nan 0.000 0.433 50 W N -0.336 120.957 121.300 -0.011 0.000 2.699 50 W HA 0.071 4.738 4.660 0.011 0.000 0.265 50 W C 2.354 178.875 176.519 0.002 0.000 1.210 50 W CA 0.603 57.948 57.345 0.000 0.000 1.414 50 W CB -0.022 29.442 29.460 0.006 0.000 1.043 50 W HN 0.123 nan 8.180 nan 0.000 0.599 51 E N 0.521 120.749 120.200 0.045 0.000 2.147 51 E HA -0.305 4.052 4.350 0.011 0.000 0.199 51 E C 1.970 178.452 176.600 -0.197 0.000 1.005 51 E CA 1.750 58.082 56.400 -0.114 0.000 0.810 51 E CB -0.656 29.040 29.700 -0.007 0.000 0.736 51 E HN 0.168 nan 8.360 nan 0.000 0.460 52 L N 0.378 121.522 121.223 -0.132 0.000 2.043 52 L HA -0.217 4.130 4.340 0.011 0.000 0.212 52 L C 2.312 179.053 176.870 -0.214 0.000 1.075 52 L CA 1.337 56.094 54.840 -0.138 0.000 0.752 52 L CB -0.541 41.467 42.059 -0.086 0.000 0.891 52 L HN 0.027 nan 8.230 nan 0.000 0.432 53 V N -0.566 119.188 119.914 -0.267 0.000 2.223 53 V HA -0.336 3.791 4.120 0.011 0.000 0.244 53 V C 2.331 178.191 176.094 -0.389 0.000 1.045 53 V CA 2.140 64.251 62.300 -0.315 0.000 1.000 53 V CB -0.482 31.160 31.823 -0.301 0.000 0.635 53 V HN 0.415 nan 8.190 nan 0.000 0.445 54 I N -0.186 120.085 120.570 -0.498 0.000 2.399 54 I HA -0.306 3.870 4.170 0.011 0.000 0.254 54 I C 2.513 178.498 176.117 -0.221 0.000 1.146 54 I CA 1.654 62.746 61.300 -0.347 0.000 1.412 54 I CB -0.125 37.533 38.000 -0.569 0.000 1.076 54 I HN 0.486 nan 8.210 nan 0.000 0.432 55 E N -0.045 120.004 120.200 -0.252 0.000 2.153 55 E HA -0.249 4.108 4.350 0.011 0.000 0.194 55 E C 2.023 178.486 176.600 -0.230 0.000 0.988 55 E CA 0.810 57.097 56.400 -0.189 0.000 0.811 55 E CB -0.025 29.578 29.700 -0.161 0.000 0.746 55 E HN 0.551 nan 8.360 nan 0.000 0.466 56 Q N -0.361 119.205 119.800 -0.388 0.000 2.226 56 Q HA -0.102 4.245 4.340 0.011 0.000 0.204 56 Q C 0.333 176.003 176.000 -0.551 0.000 0.975 56 Q CA 0.946 56.429 55.803 -0.534 0.000 0.866 56 Q CB -0.058 28.201 28.738 -0.799 0.000 0.915 56 Q HN 0.232 nan 8.270 nan 0.000 0.440 57 F N 0.521 120.410 119.950 -0.101 0.000 2.441 57 F HA 0.272 4.805 4.527 0.010 0.000 0.337 57 F C 1.030 176.781 175.800 -0.082 0.000 1.182 57 F CA -0.362 57.585 58.000 -0.088 0.000 1.279 57 F CB 0.409 39.349 39.000 -0.099 0.000 1.614 57 F HN -0.028 nan 8.300 nan 0.000 0.574 58 E N -0.665 119.563 120.200 0.047 0.000 2.684 58 E HA 0.008 4.365 4.350 0.011 0.000 0.204 58 E C -0.061 176.544 176.600 0.008 0.000 0.900 58 E CA -0.248 56.160 56.400 0.014 0.000 1.481 58 E CB 0.269 29.954 29.700 -0.024 0.000 1.468 58 E HN 0.342 nan 8.360 nan 0.000 0.778 59 D N 0.752 121.151 120.400 -0.002 0.000 2.390 59 D HA -0.077 4.569 4.640 0.011 0.000 0.236 59 D C 1.026 177.330 176.300 0.006 0.000 1.189 59 D CA -0.041 53.957 54.000 -0.003 0.000 0.887 59 D CB 0.909 41.703 40.800 -0.010 0.000 1.198 59 D HN -0.078 nan 8.370 nan 0.000 0.444 60 L N 3.313 124.534 121.223 -0.002 0.000 1.989 60 L HA -0.141 4.206 4.340 0.011 0.000 0.211 60 L C 1.874 178.742 176.870 -0.003 0.000 1.071 60 L CA 1.645 56.481 54.840 -0.006 0.000 0.749 60 L CB -0.594 41.456 42.059 -0.014 0.000 0.890 60 L HN 0.660 nan 8.230 nan 0.000 0.431 61 L N -0.832 120.387 121.223 -0.005 0.000 1.971 61 L HA -0.257 4.090 4.340 0.011 0.000 0.215 61 L C 2.598 179.478 176.870 0.016 0.000 1.072 61 L CA 1.961 56.800 54.840 -0.003 0.000 0.758 61 L CB -1.424 40.634 42.059 -0.002 0.000 0.889 61 L HN 0.410 nan 8.230 nan 0.000 0.433 62 V N -2.247 117.690 119.914 0.039 0.000 2.594 62 V HA -0.234 3.893 4.120 0.011 0.000 0.253 62 V C 2.492 178.623 176.094 0.062 0.000 1.069 62 V CA 1.434 63.782 62.300 0.080 0.000 1.082 62 V CB -0.834 31.076 31.823 0.146 0.000 0.680 62 V HN 0.376 nan 8.190 nan 0.000 0.469 63 R N -0.217 120.304 120.500 0.035 0.000 2.062 63 R HA -0.014 4.332 4.340 0.011 0.000 0.231 63 R C 2.417 178.709 176.300 -0.013 0.000 1.136 63 R CA 1.881 57.985 56.100 0.007 0.000 0.948 63 R CB -0.451 29.849 30.300 0.001 0.000 0.845 63 R HN 0.409 nan 8.270 nan 0.000 0.430 64 I N 1.166 121.730 120.570 -0.011 0.000 2.068 64 I HA -0.310 3.867 4.170 0.011 0.000 0.238 64 I C 2.394 178.497 176.117 -0.024 0.000 1.046 64 I CA 1.580 62.868 61.300 -0.020 0.000 1.306 64 I CB -1.104 36.884 38.000 -0.020 0.000 1.023 64 I HN 0.145 nan 8.210 nan 0.000 0.399 65 L N -0.273 120.940 121.223 -0.016 0.000 2.081 65 L HA -0.219 4.128 4.340 0.011 0.000 0.212 65 L C 2.400 179.250 176.870 -0.034 0.000 1.080 65 L CA 1.338 56.168 54.840 -0.018 0.000 0.754 65 L CB -0.872 41.189 42.059 0.002 0.000 0.893 65 L HN 0.197 nan 8.230 nan 0.000 0.433 66 L N -1.527 119.670 121.223 -0.043 0.000 2.265 66 L HA -0.162 4.185 4.340 0.011 0.000 0.215 66 L C 2.104 178.922 176.870 -0.086 0.000 1.117 66 L CA 1.301 56.086 54.840 -0.093 0.000 0.782 66 L CB -0.379 41.608 42.059 -0.120 0.000 0.914 66 L HN 0.226 nan 8.230 nan 0.000 0.441 67 L N -0.997 120.191 121.223 -0.058 0.000 2.102 67 L HA 0.110 4.457 4.340 0.011 0.000 0.202 67 L C 2.490 179.336 176.870 -0.039 0.000 1.076 67 L CA 1.722 56.532 54.840 -0.050 0.000 0.761 67 L CB -0.872 41.165 42.059 -0.036 0.000 0.921 67 L HN 0.154 nan 8.230 nan 0.000 0.444 68 A N -0.183 122.614 122.820 -0.038 0.000 1.986 68 A HA -0.191 4.136 4.320 0.011 0.000 0.220 68 A C 2.421 179.991 177.584 -0.023 0.000 1.171 68 A CA 1.891 53.903 52.037 -0.041 0.000 0.640 68 A CB -1.141 17.828 19.000 -0.052 0.000 0.811 68 A HN 0.577 nan 8.150 nan 0.000 0.451 69 A N -1.216 121.589 122.820 -0.024 0.000 1.933 69 A HA -0.154 4.173 4.320 0.011 0.000 0.218 69 A C 2.300 179.898 177.584 0.022 0.000 1.175 69 A CA 1.646 53.682 52.037 -0.002 0.000 0.628 69 A CB -1.178 17.792 19.000 -0.051 0.000 0.814 69 A HN 0.601 nan 8.150 nan 0.000 0.444 70 C N -0.747 118.538 119.300 -0.026 0.000 2.446 70 C HA -0.006 4.461 4.460 0.011 0.000 0.277 70 C C 2.569 177.579 174.990 0.034 0.000 1.275 70 C CA 0.756 59.757 59.018 -0.029 0.000 1.727 70 C CB -1.249 26.445 27.740 -0.077 0.000 2.010 70 C HN 0.620 nan 8.230 nan 0.000 0.486 71 I N 0.580 121.164 120.570 0.023 0.000 2.113 71 I HA -0.217 3.960 4.170 0.011 0.000 0.238 71 I C 2.715 178.865 176.117 0.055 0.000 1.070 71 I CA 1.918 63.245 61.300 0.046 0.000 1.332 71 I CB -0.808 37.226 38.000 0.057 0.000 1.044 71 I HN 0.272 nan 8.210 nan 0.000 0.402 72 S N 0.336 116.057 115.700 0.035 0.000 2.420 72 S HA -0.251 4.226 4.470 0.011 0.000 0.237 72 S C 1.939 176.544 174.600 0.009 0.000 1.023 72 S CA 1.537 59.749 58.200 0.019 0.000 0.991 72 S CB -0.455 62.755 63.200 0.016 0.000 0.792 72 S HN 0.419 nan 8.310 nan 0.000 0.488 73 F N 1.066 120.959 119.950 -0.096 0.000 2.335 73 F HA 0.152 4.685 4.527 0.011 0.000 0.296 73 F C 1.990 177.706 175.800 -0.141 0.000 1.091 73 F CA 0.739 58.640 58.000 -0.165 0.000 1.399 73 F CB -0.191 38.734 39.000 -0.125 0.000 1.067 73 F HN 0.050 nan 8.300 nan 0.000 0.520 74 V N 0.032 120.032 119.914 0.143 0.000 2.358 74 V HA -0.256 3.870 4.120 0.011 0.000 0.246 74 V C 2.204 178.309 176.094 0.018 0.000 1.047 74 V CA 1.374 63.703 62.300 0.049 0.000 1.035 74 V CB -0.676 31.114 31.823 -0.055 0.000 0.658 74 V HN 0.208 nan 8.190 nan 0.000 0.452 75 L N 0.482 121.717 121.223 0.020 0.000 2.362 75 L HA -0.028 4.319 4.340 0.011 0.000 0.219 75 L C 2.467 179.410 176.870 0.122 0.000 1.134 75 L CA 1.767 56.657 54.840 0.083 0.000 0.807 75 L CB -1.169 40.947 42.059 0.095 0.000 0.927 75 L HN 0.283 nan 8.230 nan 0.000 0.447 76 A N -1.745 121.060 122.820 -0.025 0.000 1.872 76 A HA -0.198 4.129 4.320 0.011 0.000 0.214 76 A C 2.002 179.725 177.584 0.232 0.000 1.187 76 A CA 1.048 53.009 52.037 -0.127 0.000 0.614 76 A CB -1.007 17.391 19.000 -1.003 0.000 0.826 76 A HN 0.500 nan 8.150 nan 0.000 0.442 77 W N -1.504 119.832 121.300 0.061 0.000 2.525 77 W HA 0.063 4.729 4.660 0.010 0.000 0.259 77 W C 0.636 177.397 176.519 0.402 0.000 1.253 77 W CA 0.685 58.217 57.345 0.312 0.000 1.262 77 W CB -0.190 29.488 29.460 0.364 0.000 1.122 77 W HN 0.307 nan 8.180 nan 0.000 0.607 78 F N -0.214 119.871 119.950 0.225 0.000 2.647 78 F HA 0.220 4.754 4.527 0.011 0.000 0.300 78 F C 0.386 176.243 175.800 0.095 0.000 1.106 78 F CA -0.304 57.782 58.000 0.144 0.000 1.313 78 F CB -0.402 38.681 39.000 0.137 0.000 1.007 78 F HN -0.361 nan 8.300 nan 0.000 0.536 79 E N 1.095 121.429 120.200 0.223 0.000 2.183 79 E HA 0.416 4.773 4.350 0.011 0.000 0.271 79 E C -0.802 175.836 176.600 0.063 0.000 0.919 79 E CA -0.216 56.268 56.400 0.140 0.000 0.781 79 E CB 1.042 30.829 29.700 0.144 0.000 1.140 79 E HN 0.280 nan 8.360 nan 0.000 0.402 80 E N 1.863 122.079 120.200 0.028 0.000 2.263 80 E HA 0.552 4.909 4.350 0.011 0.000 0.264 80 E C 0.488 177.072 176.600 -0.026 0.000 0.923 80 E CA -0.654 55.734 56.400 -0.020 0.000 0.802 80 E CB 1.612 31.289 29.700 -0.038 0.000 1.228 80 E HN 0.725 nan 8.360 nan 0.000 0.417 81 G N 1.872 110.641 108.800 -0.052 0.000 3.581 81 G HA2 -0.447 3.519 3.960 0.011 0.000 0.336 81 G HA3 -0.447 3.519 3.960 0.011 0.000 0.336 81 G C 0.716 175.586 174.900 -0.051 0.000 1.259 81 G CA 0.899 45.967 45.100 -0.053 0.000 1.001 81 G HN 0.671 nan 8.290 nan 0.000 0.662 82 E N 2.179 122.356 120.200 -0.038 0.000 2.489 82 E HA 0.237 4.594 4.350 0.011 0.000 0.193 82 E C 1.165 177.744 176.600 -0.035 0.000 1.057 82 E CA 0.920 57.297 56.400 -0.038 0.000 0.866 82 E CB 0.084 29.764 29.700 -0.035 0.000 0.916 82 E HN 0.834 nan 8.360 nan 0.000 0.500 83 E N -0.783 119.402 120.200 -0.026 0.000 3.313 83 E HA 0.114 4.470 4.350 0.011 0.000 0.164 83 E C 0.308 176.907 176.600 -0.002 0.000 0.947 83 E CA -0.032 56.356 56.400 -0.020 0.000 1.390 83 E CB 0.053 29.747 29.700 -0.010 0.000 1.058 83 E HN -0.171 nan 8.360 nan 0.000 0.436 84 T N 1.073 115.619 114.554 -0.015 0.000 2.881 84 T HA -0.064 4.292 4.350 0.011 0.000 0.270 84 T C 1.696 176.415 174.700 0.032 0.000 1.068 84 T CA 0.743 62.854 62.100 0.018 0.000 1.131 84 T CB -0.048 68.774 68.868 -0.077 0.000 0.871 84 T HN 0.242 nan 8.240 nan 0.000 0.479 85 I N 1.928 122.472 120.570 -0.042 0.000 2.163 85 I HA -0.094 4.083 4.170 0.011 0.000 0.240 85 I C 2.517 178.622 176.117 -0.020 0.000 1.081 85 I CA 1.439 62.707 61.300 -0.053 0.000 1.353 85 I CB -1.878 36.077 38.000 -0.075 0.000 1.054 85 I HN 0.208 nan 8.210 nan 0.000 0.407 86 T N 1.296 115.822 114.554 -0.047 0.000 3.077 86 T HA -0.011 4.346 4.350 0.011 0.000 0.269 86 T C 1.783 176.453 174.700 -0.050 0.000 1.146 86 T CA 1.094 63.136 62.100 -0.097 0.000 1.091 86 T CB -0.146 68.662 68.868 -0.100 0.000 0.892 86 T HN 0.462 nan 8.240 nan 0.000 0.533 87 A N 0.108 122.950 122.820 0.037 0.000 1.973 87 A HA 0.336 4.662 4.320 0.011 0.000 0.210 87 A C 1.577 179.184 177.584 0.038 0.000 1.200 87 A CA 0.170 52.239 52.037 0.054 0.000 0.707 87 A CB -0.426 18.638 19.000 0.107 0.000 0.862 87 A HN 0.428 nan 8.150 nan 0.000 0.461 88 F N -0.307 119.577 119.950 -0.111 0.000 2.661 88 F HA 0.019 4.552 4.527 0.011 0.000 0.298 88 F C 2.087 177.823 175.800 -0.106 0.000 1.137 88 F CA 0.584 58.500 58.000 -0.141 0.000 1.454 88 F CB 0.147 39.027 39.000 -0.199 0.000 1.103 88 F HN 0.034 nan 8.300 nan 0.000 0.577 89 V N -0.514 119.430 119.914 0.051 0.000 2.379 89 V HA -0.180 3.947 4.120 0.011 0.000 0.243 89 V C 2.059 178.223 176.094 0.116 0.000 1.035 89 V CA 1.397 63.716 62.300 0.031 0.000 1.035 89 V CB -0.443 31.336 31.823 -0.072 0.000 0.673 89 V HN 0.213 nan 8.190 nan 0.000 0.457 90 E N 0.787 121.012 120.200 0.042 0.000 2.095 90 E HA -0.268 4.088 4.350 0.011 0.000 0.212 90 E C -0.198 176.489 176.600 0.145 0.000 1.044 90 E CA 2.217 58.655 56.400 0.063 0.000 0.857 90 E CB -1.590 28.115 29.700 0.008 0.000 0.764 90 E HN 0.542 nan 8.360 nan 0.000 0.462 91 P HA -0.184 nan 4.420 nan 0.000 0.215 91 P C 1.246 178.715 177.300 0.283 0.000 1.157 91 P CA 1.492 64.731 63.100 0.231 0.000 0.868 91 P CB -0.235 31.663 31.700 0.329 0.000 0.788 92 F N -0.224 119.803 119.950 0.129 0.000 2.408 92 F HA -0.091 4.442 4.527 0.010 0.000 0.300 92 F C 2.325 178.212 175.800 0.145 0.000 1.090 92 F CA 0.771 58.856 58.000 0.143 0.000 1.427 92 F CB -1.326 37.777 39.000 0.171 0.000 1.070 92 F HN -0.243 nan 8.300 nan 0.000 0.549 93 V N -0.594 119.514 119.914 0.324 0.000 3.129 93 V HA -0.154 3.973 4.120 0.011 0.000 0.259 93 V C 2.020 178.212 176.094 0.162 0.000 1.116 93 V CA 1.091 63.555 62.300 0.274 0.000 1.127 93 V CB -0.350 31.659 31.823 0.309 0.000 0.742 93 V HN 0.277 nan 8.190 nan 0.000 0.474 94 I N -1.072 119.572 120.570 0.123 0.000 2.628 94 I HA -0.036 4.141 4.170 0.011 0.000 0.255 94 I C 2.171 178.309 176.117 0.035 0.000 1.119 94 I CA 0.627 61.964 61.300 0.062 0.000 1.448 94 I CB -0.085 37.938 38.000 0.039 0.000 1.133 94 I HN 0.242 nan 8.210 nan 0.000 0.438 95 L N 0.556 121.785 121.223 0.009 0.000 2.083 95 L HA -0.182 4.164 4.340 0.011 0.000 0.209 95 L C 2.239 179.109 176.870 -0.001 0.000 1.083 95 L CA 1.623 56.429 54.840 -0.057 0.000 0.752 95 L CB -0.471 41.467 42.059 -0.201 0.000 0.899 95 L HN 0.140 nan 8.230 nan 0.000 0.433 96 L N -0.845 120.407 121.223 0.048 0.000 1.961 96 L HA -0.224 4.123 4.340 0.011 0.000 0.210 96 L C 2.341 179.248 176.870 0.063 0.000 1.072 96 L CA 1.708 56.593 54.840 0.075 0.000 0.749 96 L CB -0.808 41.326 42.059 0.126 0.000 0.889 96 L HN 0.257 nan 8.230 nan 0.000 0.432 97 I N -0.814 119.786 120.570 0.050 0.000 2.300 97 I HA -0.317 3.860 4.170 0.011 0.000 0.252 97 I C 2.353 178.504 176.117 0.057 0.000 1.119 97 I CA 1.603 62.923 61.300 0.032 0.000 1.384 97 I CB -0.303 37.705 38.000 0.013 0.000 1.062 97 I HN 0.301 nan 8.210 nan 0.000 0.426 98 L N 0.704 121.977 121.223 0.084 0.000 2.027 98 L HA -0.149 4.197 4.340 0.011 0.000 0.206 98 L C 2.415 179.399 176.870 0.190 0.000 1.074 98 L CA 1.776 56.708 54.840 0.153 0.000 0.745 98 L CB -0.564 41.604 42.059 0.182 0.000 0.898 98 L HN 0.146 nan 8.230 nan 0.000 0.433 99 I N -1.024 119.650 120.570 0.173 0.000 2.286 99 I HA -0.301 3.876 4.170 0.011 0.000 0.248 99 I C 2.503 178.674 176.117 0.090 0.000 1.115 99 I CA 1.082 62.485 61.300 0.172 0.000 1.392 99 I CB -0.562 37.514 38.000 0.128 0.000 1.065 99 I HN 0.258 nan 8.210 nan 0.000 0.418 100 A N 0.936 123.793 122.820 0.062 0.000 1.978 100 A HA -0.213 4.113 4.320 0.011 0.000 0.220 100 A C 2.019 179.605 177.584 0.003 0.000 1.170 100 A CA 1.901 53.953 52.037 0.026 0.000 0.636 100 A CB -0.519 18.489 19.000 0.014 0.000 0.810 100 A HN 0.437 nan 8.150 nan 0.000 0.448 101 N N -0.190 118.515 118.700 0.008 0.000 2.336 101 N HA 0.058 4.805 4.740 0.011 0.000 0.177 101 N C 1.878 177.351 175.510 -0.062 0.000 1.018 101 N CA 1.173 54.212 53.050 -0.019 0.000 0.878 101 N CB -0.507 37.977 38.487 -0.005 0.000 0.997 101 N HN 0.410 nan 8.380 nan 0.000 0.433 102 A N 1.537 124.301 122.820 -0.093 0.000 1.986 102 A HA -0.125 4.202 4.320 0.011 0.000 0.220 102 A C 2.176 179.704 177.584 -0.093 0.000 1.171 102 A CA 0.954 52.864 52.037 -0.212 0.000 0.640 102 A CB -0.562 18.263 19.000 -0.292 0.000 0.811 102 A HN 0.355 nan 8.150 nan 0.000 0.451 103 I N -0.749 119.816 120.570 -0.009 0.000 2.235 103 I HA -0.133 4.043 4.170 0.011 0.000 0.241 103 I C 2.081 178.242 176.117 0.074 0.000 1.085 103 I CA 1.259 62.596 61.300 0.062 0.000 1.378 103 I CB -0.090 37.960 38.000 0.083 0.000 1.076 103 I HN 0.123 nan 8.210 nan 0.000 0.415 104 V N 1.842 121.751 119.914 -0.009 0.000 2.453 104 V HA -0.249 3.878 4.120 0.011 0.000 0.252 104 V C 2.519 178.630 176.094 0.030 0.000 1.068 104 V CA 2.011 64.284 62.300 -0.045 0.000 1.070 104 V CB -1.779 29.992 31.823 -0.086 0.000 0.664 104 V HN 0.686 nan 8.190 nan 0.000 0.461 105 G N -0.790 108.011 108.800 0.002 0.000 2.456 105 G HA2 -0.180 3.787 3.960 0.011 0.000 0.213 105 G HA3 -0.180 3.787 3.960 0.011 0.000 0.213 105 G C 1.726 176.633 174.900 0.013 0.000 1.215 105 G CA 0.872 45.961 45.100 -0.018 0.000 0.805 105 G HN 0.329 nan 8.290 nan 0.000 0.537 106 V N 0.110 120.023 119.914 -0.002 0.000 2.568 106 V HA -0.105 4.022 4.120 0.011 0.000 0.253 106 V C 2.115 178.262 176.094 0.088 0.000 1.072 106 V CA 2.008 64.311 62.300 0.004 0.000 1.084 106 V CB -0.302 31.508 31.823 -0.021 0.000 0.676 106 V HN 0.604 nan 8.190 nan 0.000 0.469 107 W N 0.157 121.424 121.300 -0.055 0.000 2.444 107 W HA -0.124 4.541 4.660 0.009 0.000 0.308 107 W C 2.337 178.831 176.519 -0.042 0.000 1.183 107 W CA 1.815 59.136 57.345 -0.041 0.000 1.340 107 W CB -0.526 28.910 29.460 -0.040 0.000 1.138 107 W HN 0.305 nan 8.180 nan 0.000 0.510 108 Q N 0.930 120.924 119.800 0.323 0.000 2.096 108 Q HA -0.254 4.093 4.340 0.011 0.000 0.204 108 Q C 2.061 178.109 176.000 0.079 0.000 0.982 108 Q CA 2.499 58.414 55.803 0.188 0.000 0.850 108 Q CB -0.591 28.198 28.738 0.085 0.000 0.901 108 Q HN 0.239 nan 8.270 nan 0.000 0.422 109 E N -0.090 120.133 120.200 0.038 0.000 2.058 109 E HA -0.214 4.143 4.350 0.011 0.000 0.194 109 E C 1.897 178.483 176.600 -0.022 0.000 0.997 109 E CA 1.495 57.889 56.400 -0.010 0.000 0.801 109 E CB -0.137 29.545 29.700 -0.030 0.000 0.746 109 E HN 0.281 nan 8.360 nan 0.000 0.450 110 R N 0.055 120.534 120.500 -0.034 0.000 2.088 110 R HA -0.133 4.214 4.340 0.011 0.000 0.232 110 R C 2.222 178.479 176.300 -0.073 0.000 1.136 110 R CA 2.049 58.099 56.100 -0.084 0.000 0.926 110 R CB -0.474 29.722 30.300 -0.174 0.000 0.837 110 R HN 0.313 nan 8.270 nan 0.000 0.429 111 N N -0.226 118.441 118.700 -0.056 0.000 2.091 111 N HA -0.240 4.507 4.740 0.011 0.000 0.193 111 N C 1.777 177.279 175.510 -0.013 0.000 1.021 111 N CA 1.086 54.124 53.050 -0.020 0.000 0.862 111 N CB -0.173 38.353 38.487 0.065 0.000 1.018 111 N HN 0.319 nan 8.380 nan 0.000 0.429 112 A N 1.873 124.687 122.820 -0.010 0.000 1.834 112 A HA -0.238 4.089 4.320 0.011 0.000 0.216 112 A C 1.964 179.532 177.584 -0.026 0.000 1.203 112 A CA 1.658 53.683 52.037 -0.020 0.000 0.621 112 A CB -0.871 18.113 19.000 -0.027 0.000 0.841 112 A HN 0.300 nan 8.150 nan 0.000 0.446 113 E N -0.162 120.021 120.200 -0.030 0.000 2.108 113 E HA -0.280 4.077 4.350 0.011 0.000 0.203 113 E C 1.961 178.544 176.600 -0.027 0.000 1.022 113 E CA 1.698 58.080 56.400 -0.029 0.000 0.823 113 E CB -0.439 29.241 29.700 -0.032 0.000 0.744 113 E HN 0.751 nan 8.360 nan 0.000 0.456 114 N N 0.267 118.947 118.700 -0.033 0.000 2.039 114 N HA -0.181 4.566 4.740 0.011 0.000 0.193 114 N C 2.007 177.504 175.510 -0.022 0.000 1.044 114 N CA 0.891 53.923 53.050 -0.031 0.000 0.847 114 N CB -0.202 38.260 38.487 -0.042 0.000 1.030 114 N HN 0.127 nan 8.380 nan 0.000 0.422 115 A N 1.665 124.472 122.820 -0.022 0.000 1.903 115 A HA -0.185 4.142 4.320 0.011 0.000 0.219 115 A C 2.059 179.630 177.584 -0.022 0.000 1.191 115 A CA 1.305 53.329 52.037 -0.021 0.000 0.638 115 A CB -0.627 18.360 19.000 -0.020 0.000 0.823 115 A HN 0.204 nan 8.150 nan 0.000 0.451 116 I N -0.367 120.190 120.570 -0.021 0.000 2.202 116 I HA -0.143 4.034 4.170 0.011 0.000 0.242 116 I C 2.363 178.475 176.117 -0.008 0.000 1.091 116 I CA 1.294 62.583 61.300 -0.017 0.000 1.368 116 I CB -1.441 36.548 38.000 -0.018 0.000 1.058 116 I HN 0.334 nan 8.210 nan 0.000 0.410 117 E N 0.863 121.058 120.200 -0.009 0.000 2.333 117 E HA -0.128 4.229 4.350 0.011 0.000 0.198 117 E C 2.046 178.651 176.600 0.007 0.000 1.007 117 E CA 1.071 57.469 56.400 -0.002 0.000 0.845 117 E CB 0.163 29.859 29.700 -0.008 0.000 0.766 117 E HN 0.467 nan 8.360 nan 0.000 0.507 118 A N -0.183 122.639 122.820 0.004 0.000 2.044 118 A HA -0.001 4.325 4.320 0.011 0.000 0.213 118 A C 1.998 179.598 177.584 0.027 0.000 1.169 118 A CA 0.161 52.206 52.037 0.014 0.000 0.724 118 A CB -0.082 18.919 19.000 0.001 0.000 0.840 118 A HN 0.230 nan 8.150 nan 0.000 0.463 119 L N -0.141 121.086 121.223 0.007 0.000 2.240 119 L HA 0.056 4.403 4.340 0.011 0.000 0.211 119 L C 2.019 178.929 176.870 0.068 0.000 1.106 119 L CA 1.716 56.559 54.840 0.004 0.000 0.793 119 L CB -0.360 41.682 42.059 -0.029 0.000 0.927 119 L HN 0.285 nan 8.230 nan 0.000 0.446 120 K N -0.574 119.857 120.400 0.051 0.000 2.031 120 K HA -0.192 4.135 4.320 0.011 0.000 0.205 120 K C 1.908 178.554 176.600 0.076 0.000 1.049 120 K CA 1.313 57.634 56.287 0.056 0.000 0.939 120 K CB -0.151 32.367 32.500 0.030 0.000 0.717 120 K HN 0.129 nan 8.250 nan 0.000 0.438 121 E N 0.579 120.821 120.200 0.070 0.000 2.331 121 E HA -0.212 4.144 4.350 0.011 0.000 0.199 121 E C 1.319 177.983 176.600 0.106 0.000 1.008 121 E CA 0.859 57.298 56.400 0.066 0.000 0.843 121 E CB -0.197 29.535 29.700 0.053 0.000 0.761 121 E HN 0.247 nan 8.360 nan 0.000 0.507 122 Y N 1.443 121.739 120.300 -0.008 0.000 2.169 122 Y HA -0.151 4.405 4.550 0.011 0.000 0.219 122 Y C 0.603 176.498 175.900 -0.008 0.000 0.994 122 Y CA 1.928 60.024 58.100 -0.007 0.000 0.986 122 Y CB -0.687 37.770 38.460 -0.005 0.000 0.961 122 Y HN 0.035 nan 8.280 nan 0.000 0.518 123 E N 3.174 123.304 120.200 -0.116 0.000 2.220 123 E HA 0.108 4.464 4.350 0.011 0.000 0.272 123 E C -2.303 174.244 176.600 -0.087 0.000 1.099 123 E CA -1.798 54.483 56.400 -0.199 0.000 0.907 123 E CB 0.064 29.720 29.700 -0.073 0.000 1.022 123 E HN 0.219 nan 8.360 nan 0.000 0.428 124 P HA 0.001 nan 4.420 nan 0.000 0.269 124 P C -0.688 176.587 177.300 -0.041 0.000 1.209 124 P CA 0.100 63.163 63.100 -0.061 0.000 0.776 124 P CB 0.809 32.466 31.700 -0.072 0.000 0.876 125 E N 1.601 121.788 120.200 -0.022 0.000 2.373 125 E HA 0.181 4.538 4.350 0.011 0.000 0.267 125 E C 0.211 176.800 176.600 -0.018 0.000 1.032 125 E CA -0.145 56.247 56.400 -0.014 0.000 0.889 125 E CB 0.424 30.123 29.700 -0.003 0.000 0.984 125 E HN 0.378 nan 8.360 nan 0.000 0.425 126 M N 0.840 120.428 119.600 -0.020 0.000 2.811 126 M HA 0.583 5.070 4.480 0.011 0.000 0.303 126 M C 0.179 176.466 176.300 -0.021 0.000 1.227 126 M CA -0.702 54.583 55.300 -0.025 0.000 0.874 126 M CB 1.558 34.138 32.600 -0.034 0.000 1.681 126 M HN 0.593 nan 8.290 nan 0.000 0.500 127 G N 0.675 109.459 108.800 -0.027 0.000 2.696 127 G HA2 0.600 4.567 3.960 0.011 0.000 0.295 127 G HA3 0.600 4.567 3.960 0.011 0.000 0.295 127 G C -1.537 173.338 174.900 -0.041 0.000 1.398 127 G CA -0.778 44.306 45.100 -0.027 0.000 0.920 127 G HN 0.550 nan 8.290 nan 0.000 0.492 128 K N 0.681 121.055 120.400 -0.043 0.000 2.240 128 K HA 0.599 4.925 4.320 0.011 0.000 0.271 128 K C -0.186 176.373 176.600 -0.068 0.000 1.018 128 K CA -0.680 55.564 56.287 -0.071 0.000 0.874 128 K CB 2.044 34.502 32.500 -0.069 0.000 1.098 128 K HN 0.572 nan 8.250 nan 0.000 0.458 129 V N 0.014 119.864 119.914 -0.106 0.000 3.130 129 V HA 0.540 4.667 4.120 0.011 0.000 0.310 129 V C -1.519 174.482 176.094 -0.155 0.000 1.158 129 V CA -1.087 61.175 62.300 -0.063 0.000 1.029 129 V CB 1.312 33.120 31.823 -0.024 0.000 1.057 129 V HN 0.625 nan 8.190 nan 0.000 0.436 130 Y N 1.145 121.435 120.300 -0.017 0.000 2.352 130 Y HA 0.840 5.397 4.550 0.011 0.000 0.339 130 Y C 0.543 176.432 175.900 -0.018 0.000 0.992 130 Y CA -0.365 57.728 58.100 -0.012 0.000 1.100 130 Y CB 2.023 40.479 38.460 -0.006 0.000 1.192 130 Y HN 0.616 nan 8.280 nan 0.000 0.458 131 R N 0.962 121.537 120.500 0.125 0.000 2.698 131 R HA 0.542 4.889 4.340 0.011 0.000 0.275 131 R C 0.392 176.728 176.300 0.061 0.000 1.001 131 R CA -0.531 55.606 56.100 0.062 0.000 0.896 131 R CB 1.811 32.118 30.300 0.012 0.000 1.218 131 R HN 0.793 nan 8.270 nan 0.000 0.462 132 A N 1.216 124.059 122.820 0.038 0.000 1.958 132 A HA -0.282 4.045 4.320 0.011 0.000 0.221 132 A C 1.585 179.185 177.584 0.027 0.000 1.178 132 A CA 2.394 54.450 52.037 0.032 0.000 0.642 132 A CB -0.608 18.401 19.000 0.015 0.000 0.816 132 A HN 0.942 nan 8.150 nan 0.000 0.453 133 D N -1.019 119.390 120.400 0.015 0.000 2.248 133 D HA -0.176 4.470 4.640 0.011 0.000 0.191 133 D C 0.899 177.209 176.300 0.016 0.000 1.013 133 D CA 1.530 55.536 54.000 0.010 0.000 0.883 133 D CB 0.053 40.853 40.800 0.001 0.000 0.915 133 D HN 0.621 nan 8.370 nan 0.000 0.448 134 R N -1.871 118.645 120.500 0.026 0.000 2.707 134 R HA 0.350 4.697 4.340 0.011 0.000 0.272 134 R C 0.522 176.856 176.300 0.057 0.000 1.011 134 R CA -0.775 55.343 56.100 0.030 0.000 0.893 134 R CB 1.265 31.574 30.300 0.015 0.000 1.233 134 R HN -0.189 nan 8.270 nan 0.000 0.464 135 K N 0.376 120.811 120.400 0.059 0.000 2.155 135 K HA 0.080 4.407 4.320 0.011 0.000 0.203 135 K C 0.490 177.166 176.600 0.127 0.000 1.052 135 K CA 0.912 57.253 56.287 0.090 0.000 0.948 135 K CB 0.194 32.734 32.500 0.066 0.000 0.728 135 K HN 0.279 nan 8.250 nan 0.000 0.448 136 S N 0.518 116.255 115.700 0.061 0.000 2.617 136 S HA 0.178 4.654 4.470 0.011 0.000 0.283 136 S C -0.673 173.825 174.600 -0.170 0.000 1.189 136 S CA -0.775 57.431 58.200 0.010 0.000 1.036 136 S CB 1.971 65.175 63.200 0.007 0.000 1.014 136 S HN 0.088 nan 8.310 nan 0.000 0.522 137 V N 3.910 123.568 119.914 -0.427 0.000 2.694 137 V HA 0.189 4.316 4.120 0.011 0.000 0.306 137 V C -0.217 175.688 176.094 -0.315 0.000 1.054 137 V CA 0.576 62.452 62.300 -0.707 0.000 1.161 137 V CB 0.142 31.501 31.823 -0.774 0.000 0.916 137 V HN 0.918 nan 8.190 nan 0.000 0.490 138 Q N 5.852 125.498 119.800 -0.257 0.000 2.359 138 Q HA 0.696 5.043 4.340 0.011 0.000 0.275 138 Q C -0.825 175.104 176.000 -0.118 0.000 1.082 138 Q CA -1.146 54.574 55.803 -0.139 0.000 0.849 138 Q CB 1.931 30.616 28.738 -0.089 0.000 1.377 138 Q HN 0.745 nan 8.270 nan 0.000 0.452 139 R N 0.201 120.649 120.500 -0.088 0.000 2.536 139 R HA 0.735 5.081 4.340 0.011 0.000 0.279 139 R C -0.847 175.416 176.300 -0.062 0.000 1.001 139 R CA -0.587 55.468 56.100 -0.075 0.000 1.027 139 R CB 1.152 31.409 30.300 -0.072 0.000 1.096 139 R HN 0.679 nan 8.270 nan 0.000 0.502 140 I N -0.619 119.921 120.570 -0.050 0.000 2.947 140 I HA 0.167 4.343 4.170 0.011 0.000 0.301 140 I C -1.386 174.715 176.117 -0.027 0.000 1.453 140 I CA -0.897 60.381 61.300 -0.037 0.000 0.984 140 I CB 2.020 40.002 38.000 -0.030 0.000 1.333 140 I HN 0.422 nan 8.210 nan 0.000 0.475 141 K N 3.974 124.363 120.400 -0.018 0.000 2.451 141 K HA 0.344 4.671 4.320 0.011 0.000 0.280 141 K C 1.031 177.634 176.600 0.005 0.000 1.020 141 K CA 0.605 56.886 56.287 -0.010 0.000 1.008 141 K CB 0.734 33.232 32.500 -0.003 0.000 0.917 141 K HN 0.700 nan 8.250 nan 0.000 0.478 142 A N 4.552 127.373 122.820 0.002 0.000 1.986 142 A HA -0.236 4.090 4.320 0.011 0.000 0.220 142 A C 1.996 179.599 177.584 0.031 0.000 1.171 142 A CA 1.659 53.701 52.037 0.009 0.000 0.640 142 A CB -0.466 18.537 19.000 0.006 0.000 0.811 142 A HN 0.917 nan 8.150 nan 0.000 0.451 143 R N -0.757 119.772 120.500 0.048 0.000 2.193 143 R HA -0.094 4.253 4.340 0.011 0.000 0.229 143 R C 0.415 176.812 176.300 0.162 0.000 1.110 143 R CA 1.546 57.706 56.100 0.099 0.000 0.988 143 R CB -0.518 29.832 30.300 0.083 0.000 0.871 143 R HN 0.303 nan 8.270 nan 0.000 0.458 144 D N 1.132 121.602 120.400 0.117 0.000 2.347 144 D HA 0.118 4.764 4.640 0.011 0.000 0.213 144 D C 0.765 177.073 176.300 0.013 0.000 0.985 144 D CA 0.276 54.330 54.000 0.091 0.000 0.879 144 D CB 0.093 40.934 40.800 0.068 0.000 0.919 144 D HN 0.255 nan 8.370 nan 0.000 0.526 145 I N 1.729 122.306 120.570 0.011 0.000 2.710 145 I HA -0.049 4.128 4.170 0.011 0.000 0.286 145 I C 0.557 176.658 176.117 -0.027 0.000 1.181 145 I CA -0.025 61.265 61.300 -0.016 0.000 1.430 145 I CB 0.657 38.646 38.000 -0.017 0.000 1.367 145 I HN -0.225 nan 8.210 nan 0.000 0.577 146 V N 4.259 124.146 119.914 -0.044 0.000 3.001 146 V HA 0.602 4.729 4.120 0.011 0.000 0.314 146 V C -2.647 173.357 176.094 -0.151 0.000 1.099 146 V CA -2.474 59.800 62.300 -0.045 0.000 0.989 146 V CB 1.633 33.498 31.823 0.070 0.000 1.040 146 V HN 0.520 nan 8.190 nan 0.000 0.434 147 P HA 0.397 nan 4.420 nan 0.000 0.271 147 P C 0.633 177.437 177.300 -0.826 0.000 1.233 147 P CA 1.480 64.267 63.100 -0.521 0.000 0.764 147 P CB 0.937 32.267 31.700 -0.617 0.000 0.825 148 G N 3.825 112.107 108.800 -0.863 0.000 3.638 148 G HA2 -0.139 3.827 3.960 0.011 0.000 0.196 148 G HA3 -0.139 3.827 3.960 0.011 0.000 0.196 148 G C -0.403 174.326 174.900 -0.285 0.000 1.315 148 G CA -0.121 44.458 45.100 -0.869 0.000 0.944 148 G HN 0.620 nan 8.290 nan 0.000 0.434 149 D N 1.945 122.250 120.400 -0.160 0.000 2.382 149 D HA 0.445 5.092 4.640 0.011 0.000 0.240 149 D C 0.264 176.542 176.300 -0.037 0.000 1.146 149 D CA -0.446 53.513 54.000 -0.067 0.000 0.897 149 D CB 0.818 41.590 40.800 -0.047 0.000 1.197 149 D HN 0.196 nan 8.370 nan 0.000 0.432 150 I N 0.982 121.568 120.570 0.027 0.000 2.496 150 I HA 0.113 4.290 4.170 0.011 0.000 0.285 150 I C 0.080 176.262 176.117 0.108 0.000 1.080 150 I CA -0.349 60.991 61.300 0.066 0.000 1.404 150 I CB 1.012 39.063 38.000 0.086 0.000 1.403 150 I HN 0.198 nan 8.210 nan 0.000 0.539 151 V N 6.258 126.218 119.914 0.077 0.000 2.769 151 V HA 0.474 4.601 4.120 0.011 0.000 0.312 151 V C -0.132 176.017 176.094 0.091 0.000 1.061 151 V CA -0.866 61.472 62.300 0.065 0.000 0.931 151 V CB 1.993 33.824 31.823 0.012 0.000 1.010 151 V HN 0.741 nan 8.190 nan 0.000 0.433 152 E N 2.428 122.675 120.200 0.079 0.000 2.207 152 E HA 0.784 5.140 4.350 0.011 0.000 0.270 152 E C -1.577 175.044 176.600 0.035 0.000 0.927 152 E CA -0.579 55.871 56.400 0.084 0.000 0.799 152 E CB 2.276 32.041 29.700 0.108 0.000 1.172 152 E HN 0.635 nan 8.360 nan 0.000 0.404 153 V N -0.459 119.475 119.914 0.034 0.000 3.012 153 V HA 0.976 5.103 4.120 0.011 0.000 0.307 153 V C -1.134 174.975 176.094 0.025 0.000 1.166 153 V CA -0.427 61.884 62.300 0.018 0.000 0.974 153 V CB 1.042 32.869 31.823 0.007 0.000 1.040 153 V HN 0.864 nan 8.190 nan 0.000 0.428 154 A N 2.190 125.024 122.820 0.023 0.000 2.583 154 A HA 0.897 5.224 4.320 0.011 0.000 0.289 154 A C -0.357 177.246 177.584 0.031 0.000 1.151 154 A CA -0.541 51.515 52.037 0.032 0.000 0.695 154 A CB 1.587 20.610 19.000 0.038 0.000 1.290 154 A HN 1.992 nan 8.150 nan 0.000 0.419 155 V N 0.959 120.898 119.914 0.042 0.000 2.742 155 V HA 0.279 4.406 4.120 0.011 0.000 0.302 155 V C 1.711 177.828 176.094 0.038 0.000 1.133 155 V CA 2.026 64.351 62.300 0.042 0.000 1.284 155 V CB -0.575 31.284 31.823 0.060 0.000 0.850 155 V HN 2.473 nan 8.190 nan 0.000 0.494 156 G N 3.081 111.899 108.800 0.030 0.000 2.258 156 G HA2 -0.203 3.764 3.960 0.011 0.000 0.233 156 G HA3 -0.203 3.764 3.960 0.011 0.000 0.233 156 G C 0.049 174.962 174.900 0.022 0.000 1.006 156 G CA 0.123 45.239 45.100 0.028 0.000 0.620 156 G HN 0.688 nan 8.290 nan 0.000 0.511 157 D N 0.814 121.225 120.400 0.019 0.000 2.361 157 D HA 0.449 5.096 4.640 0.011 0.000 0.239 157 D C 0.549 176.857 176.300 0.013 0.000 1.200 157 D CA 0.374 54.382 54.000 0.014 0.000 0.915 157 D CB 1.098 41.904 40.800 0.010 0.000 1.170 157 D HN 0.341 nan 8.370 nan 0.000 0.444 158 K N 0.703 121.110 120.400 0.012 0.000 2.240 158 K HA 0.259 4.586 4.320 0.011 0.000 0.271 158 K C -1.202 175.405 176.600 0.012 0.000 1.018 158 K CA -0.648 55.648 56.287 0.014 0.000 0.874 158 K CB 0.914 33.423 32.500 0.014 0.000 1.098 158 K HN 0.059 nan 8.250 nan 0.000 0.458 159 V N 8.499 128.422 119.914 0.015 0.000 2.493 159 V HA 0.054 4.181 4.120 0.011 0.000 0.292 159 V C -1.235 174.866 176.094 0.013 0.000 1.016 159 V CA -0.905 61.400 62.300 0.008 0.000 1.097 159 V CB 0.854 32.680 31.823 0.005 0.000 0.947 159 V HN 0.901 nan 8.190 nan 0.000 0.479 160 P HA 0.052 nan 4.420 nan 0.000 0.221 160 P C 0.269 177.574 177.300 0.009 0.000 1.150 160 P CA 1.300 64.404 63.100 0.006 0.000 0.800 160 P CB 0.647 32.346 31.700 -0.002 0.000 0.787 161 A N -0.961 121.861 122.820 0.003 0.000 2.564 161 A HA 0.408 4.735 4.320 0.011 0.000 0.291 161 A C -1.538 176.046 177.584 -0.000 0.000 1.102 161 A CA -0.654 51.387 52.037 0.006 0.000 0.660 161 A CB 0.081 19.074 19.000 -0.012 0.000 1.283 161 A HN -0.212 nan 8.150 nan 0.000 0.430 162 D N 1.702 122.110 120.400 0.013 0.000 2.342 162 D HA 0.385 5.032 4.640 0.011 0.000 0.260 162 D C -0.281 175.988 176.300 -0.052 0.000 1.278 162 D CA 0.631 54.630 54.000 -0.003 0.000 0.910 162 D CB 0.203 41.043 40.800 0.068 0.000 1.079 162 D HN 0.291 nan 8.370 nan 0.000 0.496 163 I N 2.205 122.713 120.570 -0.104 0.000 2.460 163 I HA 0.241 4.418 4.170 0.011 0.000 0.298 163 I C 0.639 176.693 176.117 -0.105 0.000 0.989 163 I CA -0.821 60.427 61.300 -0.086 0.000 1.173 163 I CB 1.308 39.264 38.000 -0.074 0.000 1.338 163 I HN 0.038 nan 8.210 nan 0.000 0.456 164 R N 6.330 126.801 120.500 -0.047 0.000 2.204 164 R HA 0.437 4.783 4.340 0.011 0.000 0.341 164 R C -0.421 175.865 176.300 -0.022 0.000 1.035 164 R CA -0.746 55.338 56.100 -0.028 0.000 0.887 164 R CB 0.034 30.345 30.300 0.019 0.000 1.114 164 R HN 0.554 nan 8.270 nan 0.000 0.473 165 I N 6.056 126.604 120.570 -0.037 0.000 2.826 165 I HA -0.198 3.979 4.170 0.011 0.000 0.295 165 I C 1.361 177.478 176.117 -0.000 0.000 1.213 165 I CA 0.436 61.723 61.300 -0.022 0.000 1.436 165 I CB 0.561 38.545 38.000 -0.026 0.000 1.348 165 I HN 0.533 nan 8.210 nan 0.000 0.570 166 L N 4.085 125.310 121.223 0.004 0.000 2.467 166 L HA 0.183 4.530 4.340 0.011 0.000 0.213 166 L C 0.686 177.560 176.870 0.007 0.000 1.053 166 L CA 0.495 55.340 54.840 0.008 0.000 0.847 166 L CB 0.416 42.478 42.059 0.005 0.000 1.075 166 L HN 0.669 nan 8.230 nan 0.000 0.479 167 S N -0.343 115.361 115.700 0.007 0.000 2.562 167 S HA 0.492 4.969 4.470 0.011 0.000 0.274 167 S C -1.107 173.504 174.600 0.019 0.000 1.160 167 S CA -0.576 57.631 58.200 0.012 0.000 0.933 167 S CB 1.165 64.367 63.200 0.003 0.000 1.100 167 S HN 0.064 nan 8.310 nan 0.000 0.468 168 I N 4.007 124.593 120.570 0.026 0.000 2.304 168 I HA 0.360 4.537 4.170 0.011 0.000 0.291 168 I C 0.056 176.201 176.117 0.047 0.000 1.018 168 I CA -0.552 60.768 61.300 0.032 0.000 1.260 168 I CB 1.269 39.288 38.000 0.031 0.000 1.390 168 I HN 0.501 nan 8.210 nan 0.000 0.475 169 K N 4.798 125.231 120.400 0.054 0.000 3.173 169 K HA 0.215 4.541 4.320 0.011 0.000 0.255 169 K C -0.653 176.000 176.600 0.088 0.000 1.235 169 K CA -0.153 56.176 56.287 0.070 0.000 1.250 169 K CB -0.075 32.468 32.500 0.071 0.000 1.382 169 K HN 0.731 nan 8.250 nan 0.000 0.421 170 S N -3.696 112.058 115.700 0.091 0.000 2.627 170 S HA 0.062 4.538 4.470 0.011 0.000 0.268 170 S C 0.936 175.603 174.600 0.111 0.000 1.130 170 S CA -0.433 57.837 58.200 0.115 0.000 0.819 170 S CB 0.641 63.909 63.200 0.114 0.000 1.100 170 S HN 0.145 nan 8.310 nan 0.000 0.465 171 T N -0.767 113.878 114.554 0.152 0.000 2.867 171 T HA 0.185 4.541 4.350 0.011 0.000 0.268 171 T C 0.693 175.461 174.700 0.114 0.000 1.057 171 T CA 1.686 63.875 62.100 0.149 0.000 1.136 171 T CB -0.638 68.400 68.868 0.283 0.000 0.874 171 T HN 0.887 nan 8.240 nan 0.000 0.466 172 T N 1.171 115.785 114.554 0.100 0.000 2.903 172 T HA 0.662 5.018 4.350 0.011 0.000 0.299 172 T C -1.707 173.006 174.700 0.022 0.000 1.093 172 T CA -0.764 61.365 62.100 0.048 0.000 1.002 172 T CB 2.131 71.019 68.868 0.034 0.000 1.127 172 T HN 0.204 nan 8.240 nan 0.000 0.488 173 L N 2.607 123.816 121.223 -0.023 0.000 2.485 173 L HA 0.499 4.846 4.340 0.011 0.000 0.260 173 L C -0.675 176.161 176.870 -0.057 0.000 0.998 173 L CA -0.367 54.455 54.840 -0.032 0.000 0.883 173 L CB 0.612 42.647 42.059 -0.040 0.000 1.196 173 L HN 0.508 nan 8.230 nan 0.000 0.443 174 R N 3.459 123.939 120.500 -0.034 0.000 2.428 174 R HA 0.825 5.172 4.340 0.011 0.000 0.294 174 R C -1.104 175.182 176.300 -0.023 0.000 1.000 174 R CA -0.879 55.200 56.100 -0.036 0.000 0.960 174 R CB 2.155 32.440 30.300 -0.026 0.000 1.076 174 R HN 0.347 nan 8.270 nan 0.000 0.475 175 V N 1.058 120.960 119.914 -0.019 0.000 2.914 175 V HA 0.175 4.302 4.120 0.011 0.000 0.314 175 V C -0.814 175.288 176.094 0.012 0.000 1.084 175 V CA -0.874 61.424 62.300 -0.002 0.000 0.963 175 V CB 2.306 34.128 31.823 -0.001 0.000 1.025 175 V HN 0.700 nan 8.190 nan 0.000 0.432 176 D N 2.183 122.595 120.400 0.020 0.000 2.427 176 D HA 0.412 5.059 4.640 0.011 0.000 0.226 176 D C 0.430 176.754 176.300 0.039 0.000 1.076 176 D CA -0.336 53.677 54.000 0.022 0.000 0.849 176 D CB 1.242 42.051 40.800 0.014 0.000 1.052 176 D HN 0.636 nan 8.370 nan 0.000 0.515 177 Q N 1.953 121.781 119.800 0.046 0.000 2.135 177 Q HA 0.110 4.457 4.340 0.011 0.000 0.222 177 Q C 1.207 177.218 176.000 0.019 0.000 0.808 177 Q CA -0.243 55.596 55.803 0.061 0.000 1.049 177 Q CB 0.359 29.171 28.738 0.124 0.000 1.168 177 Q HN 0.386 nan 8.270 nan 0.000 0.483 178 S N 1.442 117.147 115.700 0.009 0.000 2.389 178 S HA -0.277 4.200 4.470 0.011 0.000 0.231 178 S C 1.765 176.357 174.600 -0.015 0.000 1.052 178 S CA 1.307 59.503 58.200 -0.006 0.000 1.053 178 S CB -0.654 62.543 63.200 -0.005 0.000 0.886 178 S HN 0.579 nan 8.310 nan 0.000 0.456 179 I N -0.158 120.407 120.570 -0.008 0.000 2.657 179 I HA -0.089 4.088 4.170 0.011 0.000 0.261 179 I C 1.963 178.060 176.117 -0.033 0.000 1.212 179 I CA 1.218 62.510 61.300 -0.014 0.000 1.453 179 I CB -0.047 37.953 38.000 -0.001 0.000 1.092 179 I HN 0.410 nan 8.210 nan 0.000 0.452 180 L N -0.868 120.326 121.223 -0.049 0.000 2.777 180 L HA -0.018 4.329 4.340 0.011 0.000 0.172 180 L C 2.380 179.182 176.870 -0.114 0.000 1.179 180 L CA 1.052 55.830 54.840 -0.104 0.000 0.859 180 L CB -0.288 41.664 42.059 -0.179 0.000 1.269 180 L HN 0.206 nan 8.230 nan 0.000 0.511 181 T N -2.843 111.646 114.554 -0.108 0.000 3.072 181 T HA 0.032 4.389 4.350 0.011 0.000 0.266 181 T C 1.436 176.105 174.700 -0.052 0.000 1.127 181 T CA 0.975 63.023 62.100 -0.087 0.000 1.107 181 T CB 0.059 68.893 68.868 -0.056 0.000 0.910 181 T HN 0.649 nan 8.240 nan 0.000 0.513 182 G N 2.129 110.904 108.800 -0.041 0.000 2.328 182 G HA2 -0.328 3.638 3.960 0.011 0.000 0.256 182 G HA3 -0.328 3.638 3.960 0.011 0.000 0.256 182 G C -0.002 174.887 174.900 -0.020 0.000 1.014 182 G CA 0.248 45.331 45.100 -0.029 0.000 0.620 182 G HN 0.989 nan 8.290 nan 0.000 0.530 183 E N 1.637 121.827 120.200 -0.016 0.000 2.328 183 E HA 0.447 4.804 4.350 0.011 0.000 0.265 183 E C 1.553 178.149 176.600 -0.006 0.000 1.057 183 E CA 0.437 56.832 56.400 -0.009 0.000 0.916 183 E CB 0.962 30.659 29.700 -0.004 0.000 0.993 183 E HN 0.593 nan 8.360 nan 0.000 0.446 184 S N 3.540 119.235 115.700 -0.009 0.000 2.348 184 S HA -0.129 4.348 4.470 0.011 0.000 0.221 184 S C 1.194 175.790 174.600 -0.007 0.000 1.033 184 S CA 0.604 58.799 58.200 -0.009 0.000 1.010 184 S CB -0.554 62.639 63.200 -0.012 0.000 0.891 184 S HN 0.410 nan 8.310 nan 0.000 0.442 185 V N 3.696 123.605 119.914 -0.008 0.000 2.901 185 V HA 0.152 4.279 4.120 0.011 0.000 0.307 185 V C 0.870 176.961 176.094 -0.005 0.000 1.084 185 V CA 0.100 62.395 62.300 -0.009 0.000 1.184 185 V CB 0.333 32.150 31.823 -0.009 0.000 0.941 185 V HN 0.719 nan 8.190 nan 0.000 0.493 186 S N 4.166 119.862 115.700 -0.008 0.000 2.505 186 S HA 0.437 4.914 4.470 0.011 0.000 0.276 186 S C -0.377 174.218 174.600 -0.008 0.000 1.274 186 S CA -0.707 57.489 58.200 -0.006 0.000 1.053 186 S CB 0.952 64.145 63.200 -0.010 0.000 0.919 186 S HN 1.124 nan 8.310 nan 0.000 0.490 187 V N 2.377 122.289 119.914 -0.003 0.000 2.644 187 V HA 0.563 4.690 4.120 0.011 0.000 0.295 187 V C 0.143 176.214 176.094 -0.038 0.000 1.053 187 V CA -1.116 61.179 62.300 -0.008 0.000 0.987 187 V CB 0.342 32.172 31.823 0.012 0.000 1.006 187 V HN 0.886 nan 8.190 nan 0.000 0.472 188 I N 4.114 124.648 120.570 -0.060 0.000 2.519 188 I HA 0.399 4.576 4.170 0.011 0.000 0.287 188 I C 0.482 176.438 176.117 -0.268 0.000 1.047 188 I CA -0.275 60.937 61.300 -0.147 0.000 1.381 188 I CB 0.978 38.897 38.000 -0.136 0.000 1.417 188 I HN 0.673 nan 8.210 nan 0.000 0.540 189 K N 5.180 125.368 120.400 -0.353 0.000 2.238 189 K HA 0.622 4.948 4.320 0.011 0.000 0.239 189 K C -0.700 175.528 176.600 -0.621 0.000 0.987 189 K CA -0.806 55.261 56.287 -0.366 0.000 0.857 189 K CB 1.987 34.385 32.500 -0.170 0.000 1.154 189 K HN 0.528 nan 8.250 nan 0.000 0.439 190 H N -0.937 118.132 119.070 -0.001 0.000 2.943 190 H HA 0.209 4.772 4.556 0.011 0.000 0.323 190 H C 0.477 175.804 175.328 -0.003 0.000 1.296 190 H CA -0.346 55.702 56.048 0.000 0.000 1.155 190 H CB 1.603 31.367 29.762 0.003 0.000 1.882 190 H HN 0.687 nan 8.280 nan 0.000 0.553 191 T N -2.894 111.745 114.554 0.141 0.000 3.001 191 T HA 0.130 4.486 4.350 0.011 0.000 0.251 191 T C 0.214 174.947 174.700 0.055 0.000 1.040 191 T CA -0.267 61.874 62.100 0.068 0.000 0.985 191 T CB 0.102 68.997 68.868 0.044 0.000 1.011 191 T HN 0.441 nan 8.240 nan 0.000 0.509 192 E N 4.074 124.311 120.200 0.063 0.000 2.452 192 E HA 0.181 4.538 4.350 0.011 0.000 0.261 192 E C -2.330 174.290 176.600 0.034 0.000 0.987 192 E CA -1.442 54.973 56.400 0.026 0.000 0.926 192 E CB 0.202 29.897 29.700 -0.008 0.000 0.934 192 E HN 0.384 nan 8.360 nan 0.000 0.452 193 P HA 0.013 nan 4.420 nan 0.000 0.276 193 P C -0.800 176.511 177.300 0.018 0.000 1.244 193 P CA -0.330 62.776 63.100 0.011 0.000 0.801 193 P CB 0.957 32.647 31.700 -0.016 0.000 1.006 194 V N 3.766 123.699 119.914 0.032 0.000 2.313 194 V HA 0.228 4.355 4.120 0.011 0.000 0.278 194 V C -1.499 174.593 176.094 -0.003 0.000 1.017 194 V CA -2.571 59.764 62.300 0.060 0.000 0.823 194 V CB 1.247 33.167 31.823 0.161 0.000 1.010 194 V HN 0.443 nan 8.190 nan 0.000 0.443 195 P HA -0.117 nan 4.420 nan 0.000 0.219 195 P C 0.417 177.695 177.300 -0.036 0.000 1.146 195 P CA 0.721 63.794 63.100 -0.044 0.000 0.808 195 P CB 0.148 31.834 31.700 -0.023 0.000 0.779 196 D N 1.463 121.876 120.400 0.021 0.000 2.349 196 D HA 0.012 4.659 4.640 0.011 0.000 0.266 196 D C -1.039 175.323 176.300 0.102 0.000 1.293 196 D CA -1.860 52.171 54.000 0.053 0.000 0.926 196 D CB 0.798 41.643 40.800 0.076 0.000 1.090 196 D HN 0.151 nan 8.370 nan 0.000 0.502 197 P HA -0.079 nan 4.420 nan 0.000 0.226 197 P C 0.542 177.954 177.300 0.186 0.000 1.153 197 P CA 0.553 63.697 63.100 0.072 0.000 0.777 197 P CB 0.451 32.152 31.700 0.001 0.000 0.794 198 R N -0.430 120.148 120.500 0.129 0.000 2.633 198 R HA 0.427 4.774 4.340 0.011 0.000 0.348 198 R C 0.513 176.856 176.300 0.071 0.000 1.100 198 R CA -0.421 55.731 56.100 0.087 0.000 1.068 198 R CB 0.510 30.839 30.300 0.047 0.000 1.351 198 R HN 0.084 nan 8.270 nan 0.000 0.575 199 A N 0.634 123.525 122.820 0.117 0.000 2.406 199 A HA 0.308 4.634 4.320 0.011 0.000 0.243 199 A C 0.445 178.019 177.584 -0.016 0.000 1.082 199 A CA -0.221 51.853 52.037 0.063 0.000 0.786 199 A CB 0.497 19.569 19.000 0.119 0.000 1.029 199 A HN 0.075 nan 8.150 nan 0.000 0.495 200 V N 1.861 121.765 119.914 -0.017 0.000 2.743 200 V HA 0.086 4.213 4.120 0.011 0.000 0.301 200 V C 1.348 177.409 176.094 -0.054 0.000 1.057 200 V CA -0.124 62.147 62.300 -0.048 0.000 1.006 200 V CB 0.987 32.789 31.823 -0.036 0.000 1.024 200 V HN 1.053 nan 8.190 nan 0.000 0.473 201 N N 1.300 119.932 118.700 -0.114 0.000 2.132 201 N HA -0.253 4.494 4.740 0.011 0.000 0.191 201 N C 1.447 176.966 175.510 0.015 0.000 1.015 201 N CA 1.477 54.444 53.050 -0.138 0.000 0.864 201 N CB -0.086 38.103 38.487 -0.496 0.000 1.006 201 N HN 0.733 nan 8.380 nan 0.000 0.430 202 Q N -0.050 119.740 119.800 -0.017 0.000 2.500 202 Q HA -0.050 4.296 4.340 0.011 0.000 0.213 202 Q C 0.424 176.455 176.000 0.053 0.000 0.974 202 Q CA 0.627 56.445 55.803 0.025 0.000 0.918 202 Q CB 0.314 29.051 28.738 -0.002 0.000 0.980 202 Q HN 0.441 nan 8.270 nan 0.000 0.505 203 D N 0.373 120.807 120.400 0.056 0.000 2.423 203 D HA 0.024 4.671 4.640 0.011 0.000 0.208 203 D C -0.084 176.273 176.300 0.095 0.000 1.068 203 D CA 0.256 54.297 54.000 0.067 0.000 0.860 203 D CB 0.413 41.246 40.800 0.055 0.000 0.992 203 D HN 0.123 nan 8.370 nan 0.000 0.504 204 K N 1.940 122.407 120.400 0.111 0.000 2.243 204 K HA 0.138 4.465 4.320 0.011 0.000 0.232 204 K C 0.763 177.420 176.600 0.095 0.000 1.237 204 K CA 0.052 56.410 56.287 0.117 0.000 1.161 204 K CB 0.272 32.837 32.500 0.110 0.000 1.505 204 K HN -0.060 nan 8.250 nan 0.000 0.271 205 K N 1.277 121.735 120.400 0.096 0.000 2.589 205 K HA -0.078 4.249 4.320 0.011 0.000 0.192 205 K C 0.702 177.327 176.600 0.041 0.000 1.029 205 K CA 0.551 56.883 56.287 0.075 0.000 1.031 205 K CB -0.075 32.517 32.500 0.153 0.000 0.821 205 K HN 0.424 nan 8.250 nan 0.000 0.502 206 N N -0.132 118.588 118.700 0.033 0.000 2.291 206 N HA 0.061 4.808 4.740 0.011 0.000 0.244 206 N C -0.307 175.169 175.510 -0.056 0.000 1.216 206 N CA -0.125 52.932 53.050 0.013 0.000 0.879 206 N CB 0.463 38.984 38.487 0.056 0.000 1.167 206 N HN -0.114 nan 8.380 nan 0.000 0.515 207 M N 0.650 120.157 119.600 -0.154 0.000 2.644 207 M HA 0.509 4.996 4.480 0.011 0.000 0.304 207 M C -1.087 174.890 176.300 -0.539 0.000 1.215 207 M CA -0.561 54.531 55.300 -0.347 0.000 0.871 207 M CB 2.400 34.725 32.600 -0.459 0.000 1.740 207 M HN -0.072 nan 8.290 nan 0.000 0.464 208 L N 1.818 122.695 121.223 -0.576 0.000 2.381 208 L HA 0.557 4.904 4.340 0.011 0.000 0.274 208 L C -1.376 175.165 176.870 -0.548 0.000 0.988 208 L CA -0.465 54.097 54.840 -0.462 0.000 0.824 208 L CB 1.719 43.656 42.059 -0.203 0.000 1.263 208 L HN 0.467 nan 8.230 nan 0.000 0.410 209 F N 0.666 120.608 119.950 -0.013 0.000 2.404 209 F HA 0.312 4.846 4.527 0.011 0.000 0.339 209 F C 1.013 176.807 175.800 -0.011 0.000 1.105 209 F CA -0.497 57.494 58.000 -0.015 0.000 1.087 209 F CB 1.732 40.720 39.000 -0.020 0.000 1.143 209 F HN 0.355 nan 8.300 nan 0.000 0.491 210 S N 1.672 117.469 115.700 0.162 0.000 2.546 210 S HA 0.386 4.862 4.470 0.011 0.000 0.290 210 S C 1.033 175.687 174.600 0.090 0.000 1.290 210 S CA 0.813 59.067 58.200 0.090 0.000 1.069 210 S CB -0.100 63.140 63.200 0.067 0.000 0.846 210 S HN 1.218 nan 8.310 nan 0.000 0.495 211 G N 3.154 111.991 108.800 0.061 0.000 2.284 211 G HA2 -0.244 3.723 3.960 0.011 0.000 0.216 211 G HA3 -0.244 3.723 3.960 0.011 0.000 0.216 211 G C 0.371 175.300 174.900 0.049 0.000 1.009 211 G CA 0.385 45.513 45.100 0.048 0.000 0.625 211 G HN 1.443 nan 8.290 nan 0.000 0.501 212 T N -0.030 114.567 114.554 0.071 0.000 2.788 212 T HA 0.632 4.988 4.350 0.011 0.000 0.280 212 T C -0.002 174.723 174.700 0.041 0.000 0.984 212 T CA 0.031 62.169 62.100 0.064 0.000 0.972 212 T CB 1.630 70.562 68.868 0.108 0.000 1.039 212 T HN 0.305 nan 8.240 nan 0.000 0.530 213 N N -0.191 118.528 118.700 0.032 0.000 2.328 213 N HA 0.479 5.226 4.740 0.011 0.000 0.299 213 N C -1.216 174.304 175.510 0.016 0.000 1.179 213 N CA -0.784 52.279 53.050 0.021 0.000 0.793 213 N CB 1.322 39.820 38.487 0.018 0.000 1.366 213 N HN 0.488 nan 8.380 nan 0.000 0.493 214 I N 1.481 122.059 120.570 0.013 0.000 2.337 214 I HA 0.169 4.346 4.170 0.011 0.000 0.291 214 I C 1.393 177.517 176.117 0.011 0.000 1.046 214 I CA -0.017 61.289 61.300 0.009 0.000 1.324 214 I CB 0.733 38.740 38.000 0.010 0.000 1.409 214 I HN 0.713 nan 8.210 nan 0.000 0.494 215 A N 5.157 127.981 122.820 0.006 0.000 2.016 215 A HA 0.652 4.979 4.320 0.011 0.000 0.217 215 A C 0.988 178.575 177.584 0.005 0.000 1.162 215 A CA 1.161 53.200 52.037 0.004 0.000 0.662 215 A CB -0.048 18.951 19.000 -0.003 0.000 0.812 215 A HN 0.782 nan 8.150 nan 0.000 0.450 216 A N -3.371 119.453 122.820 0.007 0.000 2.586 216 A HA 0.633 4.959 4.320 0.011 0.000 0.291 216 A C 0.396 177.993 177.584 0.022 0.000 1.062 216 A CA 0.132 52.177 52.037 0.014 0.000 0.666 216 A CB -0.285 18.716 19.000 0.002 0.000 1.281 216 A HN 2.125 nan 8.150 nan 0.000 0.421 217 G N -0.066 108.759 108.800 0.043 0.000 2.828 217 G HA2 0.222 4.189 3.960 0.011 0.000 0.463 217 G HA3 0.222 4.189 3.960 0.011 0.000 0.463 217 G C -0.382 174.549 174.900 0.051 0.000 1.394 217 G CA 0.277 45.409 45.100 0.053 0.000 0.862 217 G HN 1.401 nan 8.290 nan 0.000 0.540 218 K N -0.553 119.881 120.400 0.055 0.000 2.469 218 K HA 0.800 5.127 4.320 0.011 0.000 0.254 218 K C -0.379 176.248 176.600 0.044 0.000 0.939 218 K CA -0.217 56.101 56.287 0.052 0.000 0.812 218 K CB 1.828 34.368 32.500 0.067 0.000 1.301 218 K HN 2.069 nan 8.250 nan 0.000 0.433 219 A N 2.983 125.827 122.820 0.039 0.000 2.604 219 A HA 0.581 4.908 4.320 0.011 0.000 0.295 219 A C -2.144 175.464 177.584 0.040 0.000 1.067 219 A CA -0.772 51.284 52.037 0.032 0.000 0.683 219 A CB 1.360 20.366 19.000 0.010 0.000 1.281 219 A HN 0.670 nan 8.150 nan 0.000 0.407 220 L N 1.091 122.336 121.223 0.037 0.000 2.346 220 L HA 0.928 5.275 4.340 0.011 0.000 0.274 220 L C 0.192 177.074 176.870 0.019 0.000 1.007 220 L CA 0.206 55.074 54.840 0.045 0.000 0.818 220 L CB 2.088 44.169 42.059 0.036 0.000 1.284 220 L HN 1.258 nan 8.230 nan 0.000 0.424 221 G N 3.952 112.764 108.800 0.021 0.000 2.645 221 G HA2 0.391 4.357 3.960 0.011 0.000 0.292 221 G HA3 0.391 4.357 3.960 0.011 0.000 0.292 221 G C -2.172 172.732 174.900 0.008 0.000 1.415 221 G CA -0.529 44.574 45.100 0.006 0.000 0.785 221 G HN 0.458 nan 8.290 nan 0.000 0.483 222 I N 1.242 121.817 120.570 0.007 0.000 2.377 222 I HA 0.484 4.661 4.170 0.011 0.000 0.293 222 I C 0.054 176.156 176.117 -0.025 0.000 0.987 222 I CA -0.718 60.584 61.300 0.002 0.000 1.185 222 I CB 1.492 39.526 38.000 0.057 0.000 1.341 222 I HN 0.194 nan 8.210 nan 0.000 0.455 223 V N 8.785 128.647 119.914 -0.086 0.000 2.485 223 V HA 0.123 4.250 4.120 0.011 0.000 0.287 223 V C 1.281 177.311 176.094 -0.108 0.000 1.022 223 V CA 0.463 62.698 62.300 -0.109 0.000 1.067 223 V CB 0.593 32.324 31.823 -0.152 0.000 0.967 223 V HN 0.968 nan 8.190 nan 0.000 0.479 224 A N 4.837 127.644 122.820 -0.021 0.000 1.871 224 A HA 0.249 4.575 4.320 0.011 0.000 0.211 224 A C 1.072 178.668 177.584 0.020 0.000 1.207 224 A CA 1.207 53.282 52.037 0.063 0.000 0.620 224 A CB 0.089 19.120 19.000 0.052 0.000 0.860 224 A HN 0.859 nan 8.150 nan 0.000 0.450 225 T N -3.031 111.511 114.554 -0.021 0.000 2.894 225 T HA 0.577 4.934 4.350 0.011 0.000 0.309 225 T C -0.409 174.269 174.700 -0.036 0.000 1.208 225 T CA 0.081 62.158 62.100 -0.038 0.000 1.016 225 T CB 1.590 70.468 68.868 0.016 0.000 1.192 225 T HN 0.727 nan 8.240 nan 0.000 0.491 226 T N -1.385 113.144 114.554 -0.042 0.000 2.645 226 T HA 0.836 5.193 4.350 0.011 0.000 0.273 226 T C 1.168 175.883 174.700 0.026 0.000 0.960 226 T CA 0.184 62.277 62.100 -0.010 0.000 1.051 226 T CB 0.968 69.820 68.868 -0.026 0.000 1.366 226 T HN 2.100 nan 8.240 nan 0.000 0.536 227 G N 0.100 108.924 108.800 0.041 0.000 2.652 227 G HA2 -0.308 3.658 3.960 0.011 0.000 0.318 227 G HA3 -0.308 3.658 3.960 0.011 0.000 0.318 227 G C 1.020 175.949 174.900 0.050 0.000 1.295 227 G CA 1.241 46.374 45.100 0.056 0.000 0.999 227 G HN 1.610 nan 8.290 nan 0.000 0.548 228 V N 0.579 120.525 119.914 0.054 0.000 2.970 228 V HA -0.011 4.116 4.120 0.011 0.000 0.260 228 V C 2.696 178.816 176.094 0.044 0.000 1.100 228 V CA 2.511 64.838 62.300 0.045 0.000 1.122 228 V CB -0.022 31.828 31.823 0.045 0.000 0.721 228 V HN 0.617 nan 8.190 nan 0.000 0.483 229 S N 0.258 115.989 115.700 0.052 0.000 2.603 229 S HA -0.027 4.449 4.470 0.011 0.000 0.229 229 S C 1.156 175.783 174.600 0.046 0.000 0.972 229 S CA 0.700 58.931 58.200 0.051 0.000 0.935 229 S CB -0.525 62.713 63.200 0.063 0.000 0.769 229 S HN 0.842 nan 8.310 nan 0.000 0.536 230 T N 0.207 114.788 114.554 0.045 0.000 2.898 230 T HA 0.257 4.614 4.350 0.011 0.000 0.301 230 T C 0.880 175.607 174.700 0.044 0.000 1.049 230 T CA -0.462 61.672 62.100 0.057 0.000 1.095 230 T CB 0.839 69.743 68.868 0.060 0.000 0.976 230 T HN -0.059 nan 8.240 nan 0.000 0.539 231 E N 0.484 120.721 120.200 0.061 0.000 2.219 231 E HA -0.107 4.249 4.350 0.011 0.000 0.198 231 E C 1.399 177.967 176.600 -0.054 0.000 0.998 231 E CA 1.001 57.389 56.400 -0.020 0.000 0.818 231 E CB -0.283 29.358 29.700 -0.098 0.000 0.741 231 E HN 0.781 nan 8.360 nan 0.000 0.477 232 I N -1.893 118.670 120.570 -0.012 0.000 3.854 232 I HA 0.144 4.321 4.170 0.011 0.000 0.312 232 I C 1.699 177.814 176.117 -0.002 0.000 1.273 232 I CA 0.601 61.891 61.300 -0.018 0.000 1.298 232 I CB 0.206 38.208 38.000 0.003 0.000 1.071 232 I HN 0.159 nan 8.210 nan 0.000 0.428 233 G N 0.613 109.420 108.800 0.012 0.000 2.650 233 G HA2 -0.111 3.856 3.960 0.011 0.000 0.214 233 G HA3 -0.111 3.856 3.960 0.011 0.000 0.214 233 G C 1.531 176.437 174.900 0.010 0.000 1.136 233 G CA 0.220 45.330 45.100 0.016 0.000 0.789 233 G HN 0.303 nan 8.290 nan 0.000 0.536 234 K N -0.096 120.304 120.400 0.001 0.000 2.168 234 K HA 0.187 4.513 4.320 0.011 0.000 0.201 234 K C 1.498 178.092 176.600 -0.011 0.000 1.049 234 K CA 0.070 56.355 56.287 -0.003 0.000 0.974 234 K CB 0.167 32.663 32.500 -0.007 0.000 0.792 234 K HN 0.149 nan 8.250 nan 0.000 0.463 235 I N 3.394 123.951 120.570 -0.021 0.000 3.620 235 I HA -0.038 4.138 4.170 0.011 0.000 0.305 235 I C 0.543 176.651 176.117 -0.016 0.000 1.243 235 I CA 0.340 61.625 61.300 -0.025 0.000 1.196 235 I CB -1.959 36.016 38.000 -0.042 0.000 1.004 235 I HN 0.172 nan 8.210 nan 0.000 0.487 236 R N 0.456 120.952 120.500 -0.008 0.000 2.905 236 R HA -0.051 4.296 4.340 0.011 0.000 0.273 236 R C 1.006 177.304 176.300 -0.003 0.000 1.033 236 R CA -0.089 56.009 56.100 -0.003 0.000 1.182 236 R CB 0.217 30.519 30.300 0.003 0.000 1.097 236 R HN -0.078 nan 8.270 nan 0.000 0.504 237 D N -0.014 120.385 120.400 -0.001 0.000 2.190 237 D HA -0.238 4.409 4.640 0.011 0.000 0.200 237 D C 1.830 178.131 176.300 0.002 0.000 0.992 237 D CA 1.509 55.508 54.000 -0.001 0.000 0.854 237 D CB 0.080 40.880 40.800 0.000 0.000 0.936 237 D HN 0.661 nan 8.370 nan 0.000 0.462 238 Q N -1.062 118.740 119.800 0.003 0.000 2.364 238 Q HA 0.014 4.361 4.340 0.011 0.000 0.207 238 Q C 0.700 176.702 176.000 0.004 0.000 0.970 238 Q CA 1.041 56.847 55.803 0.005 0.000 0.888 238 Q CB 0.147 28.889 28.738 0.007 0.000 0.951 238 Q HN 0.285 nan 8.270 nan 0.000 0.469 239 M N -1.388 118.212 119.600 0.001 0.000 2.414 239 M HA 0.501 4.988 4.480 0.011 0.000 0.393 239 M C -0.805 175.491 176.300 -0.006 0.000 1.055 239 M CA 0.044 55.343 55.300 -0.002 0.000 0.937 239 M CB 0.888 33.486 32.600 -0.002 0.000 1.631 239 M HN 0.017 nan 8.290 nan 0.000 0.567 240 A N 0.085 122.902 122.820 -0.005 0.000 2.577 240 A HA 0.864 5.190 4.320 0.011 0.000 0.297 240 A C -0.315 177.266 177.584 -0.006 0.000 1.060 240 A CA -0.277 51.755 52.037 -0.009 0.000 0.697 240 A CB 0.677 19.668 19.000 -0.015 0.000 1.281 240 A HN 0.280 nan 8.150 nan 0.000 0.402 241 A N 0.878 123.694 122.820 -0.007 0.000 2.398 241 A HA 0.875 5.201 4.320 0.011 0.000 0.264 241 A C 1.012 178.591 177.584 -0.008 0.000 1.564 241 A CA 0.953 52.987 52.037 -0.005 0.000 0.828 241 A CB -0.264 18.733 19.000 -0.005 0.000 1.444 241 A HN 2.296 nan 8.150 nan 0.000 0.565 242 T N -3.926 110.623 114.554 -0.009 0.000 2.611 242 T HA 0.641 4.998 4.350 0.011 0.000 0.269 242 T C -0.727 173.966 174.700 -0.012 0.000 1.032 242 T CA -0.202 61.891 62.100 -0.011 0.000 1.178 242 T CB 1.079 69.941 68.868 -0.010 0.000 1.651 242 T HN 0.825 nan 8.240 nan 0.000 0.456 243 E N -0.040 120.153 120.200 -0.013 0.000 2.430 243 E HA 0.500 4.857 4.350 0.011 0.000 0.279 243 E C -1.778 174.812 176.600 -0.016 0.000 1.003 243 E CA -0.719 55.672 56.400 -0.014 0.000 0.801 243 E CB 2.231 31.923 29.700 -0.014 0.000 1.313 243 E HN 0.830 nan 8.360 nan 0.000 0.459 244 Q N 1.648 121.438 119.800 -0.016 0.000 2.857 244 Q HA 0.657 5.004 4.340 0.011 0.000 0.319 244 Q C -1.403 174.586 176.000 -0.018 0.000 0.963 244 Q CA -0.878 54.913 55.803 -0.019 0.000 0.770 244 Q CB 2.589 31.314 28.738 -0.022 0.000 1.492 244 Q HN 0.407 nan 8.270 nan 0.000 0.493 245 D N -0.653 119.736 120.400 -0.019 0.000 2.926 245 D HA 0.127 4.774 4.640 0.011 0.000 0.272 245 D C -1.860 174.428 176.300 -0.018 0.000 1.172 245 D CA -0.402 53.587 54.000 -0.017 0.000 0.731 245 D CB 1.834 42.625 40.800 -0.015 0.000 1.282 245 D HN 0.623 nan 8.370 nan 0.000 0.430 246 K N -0.120 120.271 120.400 -0.015 0.000 2.159 246 K HA 0.574 4.901 4.320 0.011 0.000 0.266 246 K C 0.296 176.889 176.600 -0.011 0.000 0.975 246 K CA -0.585 55.693 56.287 -0.015 0.000 0.865 246 K CB 1.465 33.958 32.500 -0.011 0.000 1.087 246 K HN 0.354 nan 8.250 nan 0.000 0.446 247 T N 0.224 114.771 114.554 -0.012 0.000 2.903 247 T HA 0.074 4.431 4.350 0.011 0.000 0.314 247 T C -1.734 172.966 174.700 0.001 0.000 1.078 247 T CA -1.104 60.990 62.100 -0.009 0.000 1.114 247 T CB 0.591 69.452 68.868 -0.011 0.000 0.987 247 T HN 0.421 nan 8.240 nan 0.000 0.548 248 P HA -0.034 nan 4.420 nan 0.000 0.215 248 P C 1.707 179.021 177.300 0.023 0.000 1.153 248 P CA 0.347 63.451 63.100 0.008 0.000 0.853 248 P CB -0.050 31.649 31.700 -0.000 0.000 0.788 249 L N -0.457 120.783 121.223 0.028 0.000 2.131 249 L HA -0.160 4.186 4.340 0.011 0.000 0.210 249 L C 2.288 179.192 176.870 0.056 0.000 1.092 249 L CA 1.853 56.728 54.840 0.060 0.000 0.759 249 L CB -0.980 41.126 42.059 0.077 0.000 0.903 249 L HN -0.063 nan 8.230 nan 0.000 0.435 250 Q N -1.400 118.419 119.800 0.032 0.000 2.245 250 Q HA -0.163 4.184 4.340 0.011 0.000 0.201 250 Q C 2.108 178.131 176.000 0.037 0.000 0.955 250 Q CA 0.996 56.815 55.803 0.026 0.000 0.870 250 Q CB 0.081 28.821 28.738 0.003 0.000 0.945 250 Q HN 0.652 nan 8.270 nan 0.000 0.461 251 Q N 0.019 119.838 119.800 0.032 0.000 2.167 251 Q HA -0.156 4.191 4.340 0.011 0.000 0.202 251 Q C 1.726 177.759 176.000 0.054 0.000 0.970 251 Q CA 1.098 56.921 55.803 0.034 0.000 0.855 251 Q CB 0.021 28.773 28.738 0.023 0.000 0.911 251 Q HN 0.133 nan 8.270 nan 0.000 0.438 252 K N 0.698 121.137 120.400 0.065 0.000 2.305 252 K HA 0.004 4.331 4.320 0.011 0.000 0.199 252 K C 1.671 178.353 176.600 0.137 0.000 1.047 252 K CA 0.300 56.640 56.287 0.088 0.000 0.976 252 K CB 0.284 32.831 32.500 0.077 0.000 0.765 252 K HN 0.150 nan 8.250 nan 0.000 0.474 253 L N 0.583 121.886 121.223 0.134 0.000 2.446 253 L HA -0.035 4.311 4.340 0.011 0.000 0.219 253 L C 1.272 178.260 176.870 0.198 0.000 1.116 253 L CA 0.449 55.413 54.840 0.206 0.000 0.844 253 L CB -0.006 42.135 42.059 0.137 0.000 0.970 253 L HN 0.158 nan 8.230 nan 0.000 0.457 254 D N -0.302 120.166 120.400 0.113 0.000 2.271 254 D HA -0.146 4.501 4.640 0.011 0.000 0.206 254 D C 1.977 178.316 176.300 0.065 0.000 0.967 254 D CA 0.570 54.609 54.000 0.065 0.000 0.867 254 D CB 0.284 41.105 40.800 0.035 0.000 0.960 254 D HN 0.280 nan 8.370 nan 0.000 0.509 255 E N 0.572 120.830 120.200 0.097 0.000 2.150 255 E HA -0.162 4.195 4.350 0.011 0.000 0.193 255 E C 1.808 178.489 176.600 0.135 0.000 0.985 255 E CA 0.528 56.984 56.400 0.092 0.000 0.814 255 E CB -0.157 29.598 29.700 0.093 0.000 0.752 255 E HN 0.233 nan 8.360 nan 0.000 0.466 256 F N 0.939 120.908 119.950 0.031 0.000 2.335 256 F HA 0.223 4.757 4.527 0.011 0.000 0.296 256 F C 1.985 177.808 175.800 0.038 0.000 1.091 256 F CA 1.449 59.473 58.000 0.040 0.000 1.399 256 F CB -0.541 38.492 39.000 0.054 0.000 1.067 256 F HN 0.010 nan 8.300 nan 0.000 0.520 257 G N 0.340 109.041 108.800 -0.165 0.000 2.433 257 G HA2 -0.241 3.726 3.960 0.011 0.000 0.216 257 G HA3 -0.241 3.726 3.960 0.011 0.000 0.216 257 G C 1.543 176.309 174.900 -0.223 0.000 1.186 257 G CA 0.903 45.840 45.100 -0.271 0.000 0.779 257 G HN 0.456 nan 8.290 nan 0.000 0.543 258 E N -0.114 120.021 120.200 -0.108 0.000 2.110 258 E HA -0.176 4.181 4.350 0.011 0.000 0.193 258 E C 2.453 179.002 176.600 -0.086 0.000 0.988 258 E CA 0.885 57.240 56.400 -0.075 0.000 0.804 258 E CB -0.169 29.512 29.700 -0.031 0.000 0.745 258 E HN 0.578 nan 8.360 nan 0.000 0.458 259 Q N 0.752 120.501 119.800 -0.085 0.000 2.112 259 Q HA -0.197 4.150 4.340 0.011 0.000 0.206 259 Q C 2.213 178.150 176.000 -0.105 0.000 0.987 259 Q CA 1.140 56.910 55.803 -0.056 0.000 0.858 259 Q CB 0.009 28.757 28.738 0.018 0.000 0.905 259 Q HN 0.314 nan 8.270 nan 0.000 0.420 260 L N -0.410 120.669 121.223 -0.240 0.000 2.072 260 L HA -0.135 4.212 4.340 0.011 0.000 0.205 260 L C 2.664 179.454 176.870 -0.135 0.000 1.079 260 L CA 0.961 55.667 54.840 -0.224 0.000 0.752 260 L CB -0.471 41.349 42.059 -0.398 0.000 0.906 260 L HN 0.254 nan 8.230 nan 0.000 0.436 261 S N 0.164 115.786 115.700 -0.131 0.000 2.365 261 S HA -0.255 4.222 4.470 0.011 0.000 0.225 261 S C 1.990 176.560 174.600 -0.051 0.000 1.039 261 S CA 1.690 59.841 58.200 -0.081 0.000 1.033 261 S CB -0.018 63.141 63.200 -0.068 0.000 0.887 261 S HN 0.323 nan 8.310 nan 0.000 0.447 262 K N 0.182 120.556 120.400 -0.043 0.000 2.002 262 K HA -0.064 4.263 4.320 0.011 0.000 0.209 262 K C 2.117 178.708 176.600 -0.014 0.000 1.048 262 K CA 1.644 57.918 56.287 -0.021 0.000 0.930 262 K CB -0.617 31.875 32.500 -0.014 0.000 0.714 262 K HN 0.256 nan 8.250 nan 0.000 0.438 263 V N 2.154 122.057 119.914 -0.018 0.000 2.252 263 V HA -0.285 3.842 4.120 0.011 0.000 0.249 263 V C 2.303 178.388 176.094 -0.014 0.000 1.056 263 V CA 1.605 63.901 62.300 -0.008 0.000 1.022 263 V CB -0.478 31.345 31.823 0.000 0.000 0.641 263 V HN 0.286 nan 8.190 nan 0.000 0.445 264 I N 0.155 120.708 120.570 -0.030 0.000 2.208 264 I HA -0.226 3.951 4.170 0.011 0.000 0.245 264 I C 2.701 178.812 176.117 -0.010 0.000 1.097 264 I CA 2.085 63.367 61.300 -0.030 0.000 1.363 264 I CB -1.478 36.494 38.000 -0.046 0.000 1.051 264 I HN 0.387 nan 8.210 nan 0.000 0.413 265 S N 0.362 116.058 115.700 -0.007 0.000 2.399 265 S HA -0.084 4.392 4.470 0.011 0.000 0.231 265 S C 2.034 176.654 174.600 0.032 0.000 1.022 265 S CA 0.940 59.145 58.200 0.008 0.000 0.983 265 S CB -0.011 63.190 63.200 0.001 0.000 0.803 265 S HN 0.343 nan 8.310 nan 0.000 0.480 266 L N 1.481 122.722 121.223 0.030 0.000 2.022 266 L HA 0.085 4.431 4.340 0.011 0.000 0.204 266 L C 2.228 179.143 176.870 0.075 0.000 1.076 266 L CA 1.290 56.162 54.840 0.053 0.000 0.749 266 L CB -0.723 41.359 42.059 0.039 0.000 0.903 266 L HN 0.411 nan 8.230 nan 0.000 0.439 267 I N -3.279 117.309 120.570 0.030 0.000 3.102 267 I HA -0.226 3.951 4.170 0.011 0.000 0.278 267 I C 1.934 178.112 176.117 0.103 0.000 1.316 267 I CA 0.470 61.767 61.300 -0.004 0.000 1.425 267 I CB -0.754 37.163 38.000 -0.137 0.000 1.073 267 I HN 0.277 nan 8.210 nan 0.000 0.503 268 C N -0.042 119.336 119.300 0.129 0.000 2.406 268 C HA 0.148 4.615 4.460 0.011 0.000 0.343 268 C C 2.630 177.763 174.990 0.240 0.000 1.397 268 C CA 0.150 59.270 59.018 0.169 0.000 2.069 268 C CB 0.103 27.896 27.740 0.088 0.000 2.374 268 C HN 0.443 nan 8.230 nan 0.000 0.545 269 V N 1.787 121.822 119.914 0.203 0.000 2.913 269 V HA -0.104 4.023 4.120 0.011 0.000 0.260 269 V C 2.489 178.794 176.094 0.352 0.000 1.098 269 V CA 1.844 64.299 62.300 0.259 0.000 1.121 269 V CB -1.150 30.768 31.823 0.159 0.000 0.714 269 V HN 0.591 nan 8.190 nan 0.000 0.487 270 A N 0.284 123.294 122.820 0.316 0.000 1.929 270 A HA -0.097 4.230 4.320 0.011 0.000 0.216 270 A C 2.334 180.120 177.584 0.337 0.000 1.176 270 A CA 1.795 54.038 52.037 0.343 0.000 0.628 270 A CB -0.463 18.778 19.000 0.402 0.000 0.816 270 A HN 0.375 nan 8.150 nan 0.000 0.444 271 V N -2.339 117.813 119.914 0.396 0.000 2.343 271 V HA -0.254 3.873 4.120 0.011 0.000 0.247 271 V C 2.211 178.435 176.094 0.217 0.000 1.051 271 V CA 1.663 64.084 62.300 0.202 0.000 1.036 271 V CB -1.251 30.759 31.823 0.312 0.000 0.654 271 V HN 0.841 nan 8.190 nan 0.000 0.451 272 W N 0.357 121.768 121.300 0.184 0.000 2.421 272 W HA -0.072 4.594 4.660 0.011 0.000 0.270 272 W C 1.916 178.539 176.519 0.173 0.000 1.233 272 W CA 1.341 58.837 57.345 0.251 0.000 1.226 272 W CB -0.035 29.599 29.460 0.290 0.000 1.121 272 W HN 0.166 nan 8.180 nan 0.000 0.579 273 L N 0.420 121.749 121.223 0.176 0.000 2.200 273 L HA -0.021 4.325 4.340 0.011 0.000 0.200 273 L C 2.240 178.992 176.870 -0.198 0.000 1.072 273 L CA 0.817 55.641 54.840 -0.026 0.000 0.787 273 L CB -0.940 41.209 42.059 0.151 0.000 0.957 273 L HN -0.057 nan 8.230 nan 0.000 0.459 274 I N -2.467 118.014 120.570 -0.148 0.000 3.434 274 I HA -0.074 4.103 4.170 0.011 0.000 0.308 274 I C 0.299 176.199 176.117 -0.361 0.000 1.269 274 I CA 0.995 62.158 61.300 -0.228 0.000 1.265 274 I CB -0.563 37.276 38.000 -0.269 0.000 1.005 274 I HN 0.319 nan 8.210 nan 0.000 0.554 275 N N 1.394 119.778 118.700 -0.526 0.000 2.471 275 N HA 0.131 4.878 4.740 0.011 0.000 0.270 275 N C 1.242 175.971 175.510 -1.301 0.000 1.490 275 N CA 0.016 52.543 53.050 -0.871 0.000 0.850 275 N CB 0.817 38.603 38.487 -1.168 0.000 1.411 275 N HN 0.377 nan 8.380 nan 0.000 0.488 276 I N -2.298 117.606 120.570 -1.110 0.000 2.716 276 I HA 0.173 4.350 4.170 0.011 0.000 0.259 276 I C 1.654 177.141 176.117 -1.051 0.000 1.172 276 I CA 1.225 61.591 61.300 -1.556 0.000 1.478 276 I CB -1.350 36.220 38.000 -0.718 0.000 1.104 276 I HN -0.106 nan 8.210 nan 0.000 0.439 277 G N 0.183 108.652 108.800 -0.552 0.000 2.848 277 G HA2 -0.162 3.805 3.960 0.011 0.000 0.208 277 G HA3 -0.162 3.805 3.960 0.011 0.000 0.208 277 G C 0.988 175.723 174.900 -0.275 0.000 1.152 277 G CA 0.281 45.200 45.100 -0.302 0.000 0.789 277 G HN 0.527 nan 8.290 nan 0.000 0.531 278 H N -1.145 117.630 119.070 -0.491 0.000 2.622 278 H HA 0.252 4.815 4.556 0.011 0.000 0.269 278 H C 1.481 176.834 175.328 0.042 0.000 0.977 278 H CA -0.554 55.380 56.048 -0.189 0.000 1.179 278 H CB 0.120 29.779 29.762 -0.171 0.000 1.458 278 H HN 0.266 nan 8.280 nan 0.000 0.531 279 F N 0.731 120.703 119.950 0.036 0.000 2.333 279 F HA -0.080 4.454 4.527 0.011 0.000 0.300 279 F C 0.546 176.396 175.800 0.084 0.000 1.083 279 F CA 0.677 58.690 58.000 0.022 0.000 1.395 279 F CB -0.331 38.696 39.000 0.046 0.000 1.056 279 F HN 0.123 nan 8.300 nan 0.000 0.529 280 N N 1.185 120.033 118.700 0.248 0.000 3.112 280 N HA 0.111 4.857 4.740 0.011 0.000 0.270 280 N C -0.805 174.772 175.510 0.112 0.000 1.385 280 N CA 0.059 53.221 53.050 0.187 0.000 0.986 280 N CB 0.724 39.313 38.487 0.170 0.000 1.261 280 N HN 0.133 nan 8.380 nan 0.000 0.495 281 D N -0.010 120.497 120.400 0.178 0.000 2.523 281 D HA 0.285 4.932 4.640 0.011 0.000 0.236 281 D C -1.523 174.861 176.300 0.140 0.000 1.094 281 D CA -1.395 52.683 54.000 0.130 0.000 0.942 281 D CB 3.432 44.341 40.800 0.180 0.000 1.447 281 D HN -0.018 nan 8.370 nan 0.000 0.479 282 P HA -0.091 nan 4.420 nan 0.000 0.218 282 P C 1.483 178.821 177.300 0.065 0.000 1.149 282 P CA 0.771 63.915 63.100 0.073 0.000 0.817 282 P CB 0.441 32.182 31.700 0.068 0.000 0.785 283 V N -0.322 119.631 119.914 0.066 0.000 2.568 283 V HA -0.222 3.905 4.120 0.011 0.000 0.253 283 V C 2.162 178.120 176.094 -0.226 0.000 1.072 283 V CA 2.167 64.420 62.300 -0.078 0.000 1.084 283 V CB -1.633 30.125 31.823 -0.108 0.000 0.676 283 V HN 0.242 nan 8.190 nan 0.000 0.469 284 H N -1.301 117.789 119.070 0.033 0.000 2.430 284 H HA 0.392 4.954 4.556 0.011 0.000 0.297 284 H C 2.092 177.435 175.328 0.026 0.000 1.016 284 H CA 0.807 56.870 56.048 0.026 0.000 1.294 284 H CB 0.222 30.035 29.762 0.087 0.000 1.465 284 H HN 0.364 nan 8.280 nan 0.000 0.547 285 G N 0.460 109.359 108.800 0.166 0.000 2.746 285 G HA2 -0.357 3.610 3.960 0.011 0.000 0.236 285 G HA3 -0.357 3.610 3.960 0.011 0.000 0.236 285 G C 1.140 176.074 174.900 0.057 0.000 1.172 285 G CA 0.591 45.741 45.100 0.084 0.000 0.736 285 G HN 0.770 nan 8.290 nan 0.000 0.519 286 G N 0.346 109.184 108.800 0.064 0.000 2.712 286 G HA2 0.474 4.441 3.960 0.011 0.000 0.258 286 G HA3 0.474 4.441 3.960 0.011 0.000 0.258 286 G C 0.745 175.603 174.900 -0.069 0.000 1.241 286 G CA 0.889 45.985 45.100 -0.007 0.000 0.923 286 G HN 1.127 nan 8.290 nan 0.000 0.548 287 S N -0.582 114.992 115.700 -0.211 0.000 2.589 287 S HA -0.029 4.447 4.470 0.011 0.000 0.256 287 S C 1.176 175.594 174.600 -0.303 0.000 1.383 287 S CA 0.722 58.633 58.200 -0.481 0.000 0.983 287 S CB 0.194 62.950 63.200 -0.741 0.000 0.908 287 S HN 0.751 nan 8.310 nan 0.000 0.572 288 W N 0.026 121.350 121.300 0.040 0.000 2.611 288 W HA 0.098 4.765 4.660 0.011 0.000 0.251 288 W C 1.491 177.957 176.519 -0.089 0.000 1.265 288 W CA -0.008 57.357 57.345 0.034 0.000 1.295 288 W CB -0.662 28.849 29.460 0.085 0.000 1.129 288 W HN 0.584 nan 8.180 nan 0.000 0.630 289 I N 1.139 121.649 120.570 -0.099 0.000 2.406 289 I HA -0.131 4.046 4.170 0.011 0.000 0.249 289 I C 2.749 178.844 176.117 -0.037 0.000 1.122 289 I CA 1.351 62.638 61.300 -0.022 0.000 1.431 289 I CB -0.205 37.764 38.000 -0.052 0.000 1.087 289 I HN 0.097 nan 8.210 nan 0.000 0.424 290 R N 0.489 120.958 120.500 -0.052 0.000 2.127 290 R HA -0.025 4.321 4.340 0.011 0.000 0.217 290 R C 2.124 178.421 176.300 -0.006 0.000 1.074 290 R CA 1.179 57.289 56.100 0.017 0.000 0.991 290 R CB -0.299 30.019 30.300 0.031 0.000 0.895 290 R HN 0.448 nan 8.270 nan 0.000 0.450 291 G N -0.241 108.480 108.800 -0.131 0.000 2.464 291 G HA2 -0.125 3.842 3.960 0.011 0.000 0.217 291 G HA3 -0.125 3.842 3.960 0.011 0.000 0.217 291 G C 1.379 176.170 174.900 -0.183 0.000 1.138 291 G CA 0.532 45.385 45.100 -0.411 0.000 0.793 291 G HN 0.413 nan 8.290 nan 0.000 0.539 292 A N 1.178 123.705 122.820 -0.489 0.000 1.854 292 A HA 0.124 4.450 4.320 0.011 0.000 0.214 292 A C 2.313 179.957 177.584 0.099 0.000 1.192 292 A CA 1.022 52.578 52.037 -0.802 0.000 0.611 292 A CB -0.415 18.160 19.000 -0.709 0.000 0.832 292 A HN 0.298 nan 8.150 nan 0.000 0.442 293 I N -1.428 119.223 120.570 0.135 0.000 2.236 293 I HA -0.351 3.825 4.170 0.011 0.000 0.249 293 I C 2.464 178.826 176.117 0.409 0.000 1.102 293 I CA 2.168 63.648 61.300 0.300 0.000 1.365 293 I CB -0.473 37.653 38.000 0.211 0.000 1.051 293 I HN 0.603 nan 8.210 nan 0.000 0.420 294 Y N 0.995 121.445 120.300 0.250 0.000 2.070 294 Y HA -0.321 4.235 4.550 0.011 0.000 0.279 294 Y C 2.442 178.481 175.900 0.231 0.000 1.134 294 Y CA 1.662 59.908 58.100 0.243 0.000 1.113 294 Y CB -0.826 37.864 38.460 0.384 0.000 0.981 294 Y HN 0.016 nan 8.280 nan 0.000 0.487 295 Y N -0.770 119.804 120.300 0.457 0.000 2.403 295 Y HA -0.240 4.317 4.550 0.012 0.000 0.291 295 Y C 2.229 178.404 175.900 0.460 0.000 1.143 295 Y CA 1.641 59.972 58.100 0.384 0.000 1.257 295 Y CB -0.672 38.133 38.460 0.574 0.000 0.984 295 Y HN 0.375 nan 8.280 nan 0.000 0.550 296 F N 0.999 121.254 119.950 0.509 0.000 2.163 296 F HA -0.099 4.435 4.527 0.011 0.000 0.297 296 F C 2.231 178.099 175.800 0.114 0.000 1.094 296 F CA 1.555 59.759 58.000 0.340 0.000 1.290 296 F CB -0.421 38.689 39.000 0.183 0.000 1.017 296 F HN -0.161 nan 8.300 nan 0.000 0.483 297 K N 0.549 120.846 120.400 -0.172 0.000 2.148 297 K HA -0.103 4.224 4.320 0.011 0.000 0.204 297 K C 2.200 178.610 176.600 -0.317 0.000 1.050 297 K CA 1.540 57.616 56.287 -0.351 0.000 0.942 297 K CB -0.281 32.116 32.500 -0.170 0.000 0.724 297 K HN 0.409 nan 8.250 nan 0.000 0.446 298 I N 0.717 121.108 120.570 -0.297 0.000 2.315 298 I HA -0.228 3.948 4.170 0.011 0.000 0.248 298 I C 2.320 178.380 176.117 -0.095 0.000 1.117 298 I CA 0.860 62.017 61.300 -0.240 0.000 1.404 298 I CB -0.254 37.571 38.000 -0.292 0.000 1.071 298 I HN 0.261 nan 8.210 nan 0.000 0.419 299 A N 0.633 123.434 122.820 -0.033 0.000 1.845 299 A HA -0.182 4.144 4.320 0.011 0.000 0.215 299 A C 2.351 179.881 177.584 -0.090 0.000 1.195 299 A CA 1.962 54.011 52.037 0.021 0.000 0.616 299 A CB -1.081 17.984 19.000 0.107 0.000 0.832 299 A HN 0.217 nan 8.150 nan 0.000 0.443 300 V N 0.110 119.872 119.914 -0.253 0.000 2.324 300 V HA -0.301 3.825 4.120 0.011 0.000 0.250 300 V C 3.025 179.031 176.094 -0.146 0.000 1.060 300 V CA 2.113 64.267 62.300 -0.243 0.000 1.042 300 V CB -1.464 30.120 31.823 -0.398 0.000 0.650 300 V HN 0.641 nan 8.190 nan 0.000 0.450 301 A N -0.242 122.492 122.820 -0.143 0.000 1.902 301 A HA -0.192 4.134 4.320 0.011 0.000 0.217 301 A C 2.168 179.724 177.584 -0.047 0.000 1.181 301 A CA 2.099 54.084 52.037 -0.086 0.000 0.623 301 A CB -0.531 18.413 19.000 -0.092 0.000 0.818 301 A HN 0.464 nan 8.150 nan 0.000 0.443 302 L N -0.543 120.660 121.223 -0.034 0.000 2.156 302 L HA 0.042 4.389 4.340 0.011 0.000 0.208 302 L C 2.621 179.481 176.870 -0.017 0.000 1.095 302 L CA 1.775 56.612 54.840 -0.004 0.000 0.770 302 L CB -0.735 41.351 42.059 0.044 0.000 0.914 302 L HN 0.354 nan 8.230 nan 0.000 0.439 303 A N -0.837 121.966 122.820 -0.028 0.000 1.841 303 A HA -0.181 4.146 4.320 0.011 0.000 0.216 303 A C 2.228 179.789 177.584 -0.038 0.000 1.199 303 A CA 2.321 54.338 52.037 -0.034 0.000 0.621 303 A CB -1.280 17.693 19.000 -0.045 0.000 0.835 303 A HN 0.234 nan 8.150 nan 0.000 0.445 304 V N 0.087 119.976 119.914 -0.042 0.000 2.278 304 V HA -0.330 3.797 4.120 0.011 0.000 0.251 304 V C 2.985 179.061 176.094 -0.030 0.000 1.062 304 V CA 2.264 64.544 62.300 -0.033 0.000 1.038 304 V CB -1.356 30.449 31.823 -0.029 0.000 0.646 304 V HN 0.652 nan 8.190 nan 0.000 0.447 305 A N -0.887 121.914 122.820 -0.031 0.000 2.125 305 A HA 0.096 4.423 4.320 0.011 0.000 0.219 305 A C 2.210 179.761 177.584 -0.055 0.000 1.156 305 A CA 1.875 53.891 52.037 -0.036 0.000 0.671 305 A CB -0.397 18.588 19.000 -0.024 0.000 0.794 305 A HN 0.611 nan 8.150 nan 0.000 0.459 306 A N -0.635 122.153 122.820 -0.053 0.000 1.963 306 A HA 0.368 4.694 4.320 0.011 0.000 0.207 306 A C 0.781 178.322 177.584 -0.072 0.000 1.243 306 A CA -0.113 51.882 52.037 -0.069 0.000 0.728 306 A CB -0.071 18.894 19.000 -0.060 0.000 0.895 306 A HN 0.283 nan 8.150 nan 0.000 0.467 307 I N 2.165 122.702 120.570 -0.055 0.000 2.821 307 I HA 0.018 4.195 4.170 0.011 0.000 0.294 307 I C -2.160 173.936 176.117 -0.035 0.000 1.210 307 I CA -1.475 59.795 61.300 -0.049 0.000 1.430 307 I CB -0.175 37.805 38.000 -0.033 0.000 1.356 307 I HN 0.161 nan 8.210 nan 0.000 0.563 308 P HA 0.179 nan 4.420 nan 0.000 0.231 308 P C 0.152 177.510 177.300 0.097 0.000 1.811 308 P CA -0.326 62.795 63.100 0.036 0.000 1.051 308 P CB 0.205 31.945 31.700 0.068 0.000 1.951 309 E N 1.243 121.486 120.200 0.071 0.000 2.160 309 E HA -0.139 4.218 4.350 0.011 0.000 0.195 309 E C 2.176 178.844 176.600 0.113 0.000 0.991 309 E CA 1.714 58.159 56.400 0.076 0.000 0.810 309 E CB -0.773 28.962 29.700 0.058 0.000 0.742 309 E HN 0.452 nan 8.360 nan 0.000 0.466 310 G N 0.084 109.011 108.800 0.211 0.000 2.985 310 G HA2 -0.027 3.940 3.960 0.011 0.000 0.209 310 G HA3 -0.027 3.940 3.960 0.011 0.000 0.209 310 G C 1.253 176.254 174.900 0.169 0.000 1.165 310 G CA -0.161 45.089 45.100 0.249 0.000 0.776 310 G HN 0.113 nan 8.290 nan 0.000 0.541 311 L N 1.364 122.704 121.223 0.195 0.000 2.005 311 L HA 0.124 4.471 4.340 0.011 0.000 0.207 311 L C -0.190 176.605 176.870 -0.126 0.000 1.072 311 L CA 1.730 56.541 54.840 -0.048 0.000 0.744 311 L CB -0.667 41.490 42.059 0.164 0.000 0.895 311 L HN 0.000 nan 8.230 nan 0.000 0.433 312 P HA -0.127 nan 4.420 nan 0.000 0.221 312 P C 0.876 178.119 177.300 -0.094 0.000 1.145 312 P CA 1.720 64.784 63.100 -0.059 0.000 0.795 312 P CB -0.056 31.624 31.700 -0.033 0.000 0.775 313 A N -1.418 121.339 122.820 -0.105 0.000 2.035 313 A HA 0.046 4.372 4.320 0.011 0.000 0.208 313 A C 2.116 179.613 177.584 -0.145 0.000 1.206 313 A CA 0.450 52.420 52.037 -0.112 0.000 0.773 313 A CB -1.172 17.777 19.000 -0.084 0.000 0.878 313 A HN 0.076 nan 8.150 nan 0.000 0.469 314 V N 0.081 119.854 119.914 -0.234 0.000 2.490 314 V HA -0.189 3.937 4.120 0.011 0.000 0.250 314 V C 2.163 178.086 176.094 -0.285 0.000 1.061 314 V CA 2.266 64.375 62.300 -0.319 0.000 1.064 314 V CB -0.329 31.046 31.823 -0.747 0.000 0.670 314 V HN 0.531 nan 8.190 nan 0.000 0.461 315 I N 0.147 120.560 120.570 -0.262 0.000 2.202 315 I HA -0.169 4.007 4.170 0.011 0.000 0.242 315 I C 2.433 178.466 176.117 -0.140 0.000 1.091 315 I CA 2.531 63.721 61.300 -0.185 0.000 1.368 315 I CB -0.676 37.243 38.000 -0.136 0.000 1.058 315 I HN 0.314 nan 8.210 nan 0.000 0.410 316 T N -0.133 114.346 114.554 -0.125 0.000 2.788 316 T HA -0.162 4.195 4.350 0.011 0.000 0.268 316 T C 1.792 176.428 174.700 -0.106 0.000 1.044 316 T CA 2.058 64.097 62.100 -0.102 0.000 1.139 316 T CB -0.451 68.360 68.868 -0.096 0.000 0.867 316 T HN 0.414 nan 8.240 nan 0.000 0.454 317 T N 0.747 115.228 114.554 -0.121 0.000 2.857 317 T HA -0.075 4.282 4.350 0.011 0.000 0.266 317 T C 2.298 176.870 174.700 -0.212 0.000 1.048 317 T CA 0.876 62.898 62.100 -0.131 0.000 1.139 317 T CB -0.516 68.300 68.868 -0.087 0.000 0.874 317 T HN 0.434 nan 8.240 nan 0.000 0.455 318 C N 0.797 119.965 119.300 -0.220 0.000 2.446 318 C HA 0.064 4.530 4.460 0.011 0.000 0.277 318 C C 2.558 177.446 174.990 -0.169 0.000 1.275 318 C CA 0.135 59.013 59.018 -0.234 0.000 1.727 318 C CB -1.214 26.409 27.740 -0.194 0.000 2.010 318 C HN 0.390 nan 8.230 nan 0.000 0.486 319 L N 1.564 122.711 121.223 -0.127 0.000 1.976 319 L HA -0.101 4.245 4.340 0.011 0.000 0.209 319 L C 2.792 179.607 176.870 -0.092 0.000 1.071 319 L CA 2.394 57.178 54.840 -0.093 0.000 0.746 319 L CB -1.422 40.592 42.059 -0.075 0.000 0.890 319 L HN 0.312 nan 8.230 nan 0.000 0.432 320 A N -0.994 121.771 122.820 -0.091 0.000 1.917 320 A HA -0.251 4.076 4.320 0.011 0.000 0.219 320 A C 2.397 179.929 177.584 -0.087 0.000 1.182 320 A CA 2.050 54.043 52.037 -0.074 0.000 0.633 320 A CB -0.967 17.997 19.000 -0.060 0.000 0.819 320 A HN 0.422 nan 8.150 nan 0.000 0.448 321 L N -0.988 120.154 121.223 -0.136 0.000 2.083 321 L HA -0.153 4.194 4.340 0.011 0.000 0.209 321 L C 2.686 179.484 176.870 -0.120 0.000 1.083 321 L CA 1.268 56.010 54.840 -0.164 0.000 0.752 321 L CB -0.671 41.202 42.059 -0.310 0.000 0.899 321 L HN 0.526 nan 8.230 nan 0.000 0.433 322 G N -1.432 107.301 108.800 -0.110 0.000 2.433 322 G HA2 -0.260 3.707 3.960 0.011 0.000 0.216 322 G HA3 -0.260 3.707 3.960 0.011 0.000 0.216 322 G C 1.458 176.319 174.900 -0.064 0.000 1.186 322 G CA 1.124 46.175 45.100 -0.082 0.000 0.779 322 G HN 0.265 nan 8.290 nan 0.000 0.543 323 T N 0.325 114.842 114.554 -0.060 0.000 2.624 323 T HA -0.208 4.149 4.350 0.011 0.000 0.268 323 T C 2.394 177.068 174.700 -0.044 0.000 1.041 323 T CA 1.836 63.907 62.100 -0.048 0.000 1.159 323 T CB -0.159 68.682 68.868 -0.045 0.000 0.863 323 T HN 0.323 nan 8.240 nan 0.000 0.434 324 R N 0.600 121.074 120.500 -0.044 0.000 2.081 324 R HA 0.011 4.358 4.340 0.011 0.000 0.235 324 R C 2.593 178.874 176.300 -0.033 0.000 1.131 324 R CA 1.291 57.371 56.100 -0.033 0.000 0.960 324 R CB -0.055 30.230 30.300 -0.025 0.000 0.856 324 R HN 0.301 nan 8.270 nan 0.000 0.436 325 R N -0.576 119.899 120.500 -0.040 0.000 2.096 325 R HA -0.084 4.263 4.340 0.011 0.000 0.235 325 R C 2.087 178.366 176.300 -0.035 0.000 1.127 325 R CA 1.353 57.432 56.100 -0.034 0.000 0.968 325 R CB -0.186 30.090 30.300 -0.041 0.000 0.861 325 R HN 0.269 nan 8.270 nan 0.000 0.440 326 M N 0.040 119.616 119.600 -0.041 0.000 2.156 326 M HA -0.009 4.477 4.480 0.011 0.000 0.264 326 M C 2.439 178.714 176.300 -0.042 0.000 1.067 326 M CA 1.297 56.572 55.300 -0.042 0.000 1.131 326 M CB -1.160 31.414 32.600 -0.044 0.000 1.368 326 M HN 0.110 nan 8.290 nan 0.000 0.416 327 A N 0.382 123.177 122.820 -0.041 0.000 1.883 327 A HA -0.215 4.112 4.320 0.011 0.000 0.217 327 A C 2.310 179.862 177.584 -0.054 0.000 1.186 327 A CA 2.074 54.084 52.037 -0.045 0.000 0.624 327 A CB -0.799 18.178 19.000 -0.039 0.000 0.822 327 A HN 0.527 nan 8.150 nan 0.000 0.444 328 K N -0.116 120.258 120.400 -0.043 0.000 2.360 328 K HA -0.130 4.197 4.320 0.011 0.000 0.201 328 K C 0.856 177.426 176.600 -0.049 0.000 1.046 328 K CA 1.433 57.695 56.287 -0.042 0.000 0.940 328 K CB -0.101 32.385 32.500 -0.023 0.000 0.748 328 K HN 0.429 nan 8.250 nan 0.000 0.465 329 K N 0.702 121.074 120.400 -0.047 0.000 2.440 329 K HA 0.094 4.421 4.320 0.011 0.000 0.206 329 K C -0.484 176.084 176.600 -0.053 0.000 1.025 329 K CA -0.122 56.138 56.287 -0.045 0.000 1.135 329 K CB 0.431 32.909 32.500 -0.036 0.000 0.856 329 K HN 0.163 nan 8.250 nan 0.000 0.502 330 N N 0.633 119.290 118.700 -0.071 0.000 2.758 330 N HA -0.172 4.575 4.740 0.011 0.000 0.248 330 N C -0.990 174.493 175.510 -0.046 0.000 1.076 330 N CA 1.011 54.014 53.050 -0.078 0.000 0.696 330 N CB -1.312 37.124 38.487 -0.085 0.000 0.979 330 N HN 0.355 nan 8.380 nan 0.000 0.550 331 A N 0.420 123.215 122.820 -0.043 0.000 2.332 331 A HA 0.631 4.957 4.320 0.011 0.000 0.300 331 A C 0.194 177.760 177.584 -0.030 0.000 1.153 331 A CA -0.603 51.413 52.037 -0.034 0.000 0.764 331 A CB 1.037 20.012 19.000 -0.041 0.000 1.174 331 A HN 0.177 nan 8.150 nan 0.000 0.467 332 I N 3.704 124.262 120.570 -0.020 0.000 2.322 332 I HA 0.126 4.303 4.170 0.011 0.000 0.292 332 I C -0.029 176.076 176.117 -0.020 0.000 1.060 332 I CA -0.119 61.171 61.300 -0.017 0.000 1.309 332 I CB 0.905 38.902 38.000 -0.005 0.000 1.415 332 I HN 0.283 nan 8.210 nan 0.000 0.492 333 V N 8.713 128.612 119.914 -0.025 0.000 2.339 333 V HA 0.210 4.337 4.120 0.011 0.000 0.261 333 V C 1.483 177.563 176.094 -0.023 0.000 1.058 333 V CA -0.405 61.879 62.300 -0.027 0.000 0.897 333 V CB 0.340 32.144 31.823 -0.033 0.000 1.052 333 V HN 0.643 nan 8.190 nan 0.000 0.480 334 R N 2.205 122.693 120.500 -0.019 0.000 2.328 334 R HA 0.137 4.484 4.340 0.011 0.000 0.200 334 R C 0.539 176.827 176.300 -0.019 0.000 0.983 334 R CA 0.256 56.346 56.100 -0.016 0.000 1.062 334 R CB 0.224 30.517 30.300 -0.012 0.000 0.956 334 R HN 0.545 nan 8.270 nan 0.000 0.479 335 S N -0.515 115.171 115.700 -0.023 0.000 2.584 335 S HA 0.180 4.657 4.470 0.011 0.000 0.282 335 S C 0.622 175.205 174.600 -0.028 0.000 1.138 335 S CA -0.710 57.475 58.200 -0.024 0.000 0.987 335 S CB 0.556 63.743 63.200 -0.022 0.000 1.137 335 S HN 0.124 nan 8.310 nan 0.000 0.457 336 L N 4.363 125.568 121.223 -0.030 0.000 2.021 336 L HA -0.096 4.251 4.340 0.011 0.000 0.215 336 L C -0.793 176.058 176.870 -0.032 0.000 1.074 336 L CA 1.760 56.579 54.840 -0.034 0.000 0.760 336 L CB -1.545 40.492 42.059 -0.037 0.000 0.889 336 L HN 0.492 nan 8.230 nan 0.000 0.433 337 P HA -0.197 nan 4.420 nan 0.000 0.216 337 P C 1.741 179.025 177.300 -0.027 0.000 1.154 337 P CA 1.749 64.835 63.100 -0.024 0.000 0.865 337 P CB -0.012 31.675 31.700 -0.021 0.000 0.789 338 S N -0.397 115.286 115.700 -0.029 0.000 2.412 338 S HA -0.235 4.242 4.470 0.011 0.000 0.246 338 S C 1.959 176.537 174.600 -0.036 0.000 1.073 338 S CA 2.212 60.392 58.200 -0.032 0.000 1.186 338 S CB -1.711 61.469 63.200 -0.033 0.000 1.084 338 S HN -0.019 nan 8.310 nan 0.000 0.434 339 V N 2.249 122.140 119.914 -0.037 0.000 2.282 339 V HA -0.234 3.892 4.120 0.011 0.000 0.249 339 V C 2.575 178.649 176.094 -0.033 0.000 1.057 339 V CA 2.222 64.499 62.300 -0.039 0.000 1.032 339 V CB -0.825 30.974 31.823 -0.041 0.000 0.645 339 V HN 0.471 nan 8.190 nan 0.000 0.447 340 E N 0.802 120.987 120.200 -0.026 0.000 2.017 340 E HA -0.226 4.130 4.350 0.011 0.000 0.193 340 E C 2.294 178.874 176.600 -0.034 0.000 0.997 340 E CA 2.303 58.694 56.400 -0.016 0.000 0.804 340 E CB -0.514 29.185 29.700 -0.001 0.000 0.757 340 E HN 0.623 nan 8.360 nan 0.000 0.448 341 T N 2.245 116.777 114.554 -0.036 0.000 2.721 341 T HA -0.179 4.178 4.350 0.011 0.000 0.268 341 T C 1.975 176.646 174.700 -0.048 0.000 1.038 341 T CA 1.316 63.389 62.100 -0.044 0.000 1.145 341 T CB -0.305 68.541 68.868 -0.035 0.000 0.858 341 T HN 0.178 nan 8.240 nan 0.000 0.459 342 L N 0.535 121.731 121.223 -0.046 0.000 2.353 342 L HA -0.005 4.342 4.340 0.011 0.000 0.220 342 L C 2.693 179.533 176.870 -0.050 0.000 1.133 342 L CA 0.723 55.533 54.840 -0.049 0.000 0.798 342 L CB -0.533 41.494 42.059 -0.053 0.000 0.922 342 L HN 0.377 nan 8.230 nan 0.000 0.445 343 G N -1.367 107.401 108.800 -0.053 0.000 2.408 343 G HA2 -0.188 3.778 3.960 0.011 0.000 0.215 343 G HA3 -0.188 3.778 3.960 0.011 0.000 0.215 343 G C 1.289 176.145 174.900 -0.073 0.000 1.156 343 G CA 0.591 45.658 45.100 -0.056 0.000 0.793 343 G HN 0.465 nan 8.290 nan 0.000 0.535 344 C N 1.695 120.941 119.300 -0.089 0.000 2.573 344 C HA 0.249 4.716 4.460 0.011 0.000 0.273 344 C C 1.252 176.206 174.990 -0.059 0.000 1.346 344 C CA -0.863 58.099 59.018 -0.094 0.000 1.702 344 C CB -1.538 26.135 27.740 -0.112 0.000 1.751 344 C HN 0.198 nan 8.230 nan 0.000 0.583 345 T N 2.087 116.613 114.554 -0.048 0.000 2.853 345 T HA 0.134 4.490 4.350 0.011 0.000 0.298 345 T C 1.254 175.939 174.700 -0.024 0.000 0.978 345 T CA 0.608 62.688 62.100 -0.033 0.000 1.152 345 T CB 0.753 69.601 68.868 -0.034 0.000 0.914 345 T HN 0.706 nan 8.240 nan 0.000 0.539 346 S N 2.241 117.933 115.700 -0.013 0.000 2.545 346 S HA 0.226 4.703 4.470 0.011 0.000 0.232 346 S C 0.503 175.106 174.600 0.005 0.000 1.070 346 S CA -0.300 57.896 58.200 -0.006 0.000 0.923 346 S CB 0.347 63.545 63.200 -0.003 0.000 0.806 346 S HN 0.422 nan 8.310 nan 0.000 0.506 347 V N 2.186 122.108 119.914 0.012 0.000 2.656 347 V HA 0.555 4.682 4.120 0.011 0.000 0.307 347 V C -0.927 175.181 176.094 0.023 0.000 1.051 347 V CA -0.784 61.531 62.300 0.025 0.000 0.893 347 V CB 1.680 33.526 31.823 0.039 0.000 0.999 347 V HN 0.386 nan 8.190 nan 0.000 0.426 348 I N 3.230 123.820 120.570 0.034 0.000 2.420 348 I HA 0.335 4.512 4.170 0.011 0.000 0.282 348 I C -0.539 175.616 176.117 0.063 0.000 1.019 348 I CA -0.158 61.166 61.300 0.039 0.000 1.130 348 I CB 1.437 39.462 38.000 0.042 0.000 1.262 348 I HN 0.547 nan 8.210 nan 0.000 0.454 349 C N 4.295 123.625 119.300 0.051 0.000 2.373 349 C HA 0.438 4.904 4.460 0.011 0.000 0.354 349 C C 0.857 175.891 174.990 0.074 0.000 1.249 349 C CA -0.162 58.889 59.018 0.054 0.000 1.784 349 C CB 0.038 27.791 27.740 0.021 0.000 2.408 349 C HN 0.762 nan 8.230 nan 0.000 0.542 350 S N 1.792 117.549 115.700 0.094 0.000 2.513 350 S HA 0.400 4.877 4.470 0.011 0.000 0.299 350 S C -0.804 173.841 174.600 0.074 0.000 1.087 350 S CA -0.507 57.766 58.200 0.121 0.000 1.012 350 S CB 1.053 64.382 63.200 0.216 0.000 1.044 350 S HN 0.830 nan 8.310 nan 0.000 0.485 351 D N 2.424 122.868 120.400 0.074 0.000 2.362 351 D HA 0.245 4.892 4.640 0.011 0.000 0.242 351 D C 0.950 177.266 176.300 0.027 0.000 1.132 351 D CA -0.011 54.020 54.000 0.052 0.000 0.907 351 D CB 0.890 41.723 40.800 0.056 0.000 1.195 351 D HN 0.547 nan 8.370 nan 0.000 0.429 352 K N 0.882 121.294 120.400 0.020 0.000 2.035 352 K HA 0.029 4.355 4.320 0.011 0.000 0.213 352 K C 0.015 176.615 176.600 -0.001 0.000 1.027 352 K CA 0.291 56.575 56.287 -0.005 0.000 0.950 352 K CB -0.359 32.146 32.500 0.008 0.000 0.790 352 K HN 0.492 nan 8.250 nan 0.000 0.448 353 T N 0.969 115.533 114.554 0.018 0.000 2.708 353 T HA 0.169 4.525 4.350 0.011 0.000 0.271 353 T C 0.716 175.433 174.700 0.028 0.000 0.985 353 T CA 0.750 62.863 62.100 0.022 0.000 1.229 353 T CB 0.062 68.950 68.868 0.032 0.000 0.934 353 T HN 0.731 nan 8.240 nan 0.000 0.522 354 G N 3.424 112.238 108.800 0.023 0.000 2.279 354 G HA2 -0.311 3.655 3.960 0.011 0.000 0.223 354 G HA3 -0.311 3.655 3.960 0.011 0.000 0.223 354 G C 0.960 175.884 174.900 0.040 0.000 1.015 354 G CA 0.369 45.490 45.100 0.035 0.000 0.621 354 G HN 0.668 nan 8.290 nan 0.000 0.506 355 T N 0.691 115.266 114.554 0.034 0.000 3.252 355 T HA 0.315 4.672 4.350 0.011 0.000 0.233 355 T C 2.321 177.008 174.700 -0.022 0.000 0.975 355 T CA 1.012 63.148 62.100 0.060 0.000 1.318 355 T CB -0.250 68.672 68.868 0.090 0.000 1.014 355 T HN 0.149 nan 8.240 nan 0.000 0.418 356 L N 1.789 122.942 121.223 -0.115 0.000 2.291 356 L HA 0.095 4.442 4.340 0.011 0.000 0.214 356 L C 1.617 178.382 176.870 -0.175 0.000 1.120 356 L CA 0.616 55.286 54.840 -0.284 0.000 0.799 356 L CB -0.599 41.296 42.059 -0.274 0.000 0.925 356 L HN 0.454 nan 8.230 nan 0.000 0.446 357 T N -5.386 109.118 114.554 -0.084 0.000 2.922 357 T HA 0.220 4.577 4.350 0.011 0.000 0.281 357 T C 1.060 175.748 174.700 -0.021 0.000 1.005 357 T CA 0.026 62.095 62.100 -0.052 0.000 0.982 357 T CB 1.531 70.380 68.868 -0.032 0.000 1.158 357 T HN 0.109 nan 8.240 nan 0.000 0.566 358 T N -1.851 112.695 114.554 -0.013 0.000 3.067 358 T HA 0.141 4.498 4.350 0.011 0.000 0.257 358 T C 1.036 175.748 174.700 0.020 0.000 1.105 358 T CA 0.651 62.753 62.100 0.003 0.000 1.104 358 T CB -0.893 67.971 68.868 -0.006 0.000 0.925 358 T HN 0.932 nan 8.240 nan 0.000 0.498 359 N N 1.231 119.943 118.700 0.019 0.000 2.735 359 N HA -0.180 4.567 4.740 0.011 0.000 0.248 359 N C -0.988 174.563 175.510 0.067 0.000 1.083 359 N CA 0.198 53.273 53.050 0.042 0.000 0.703 359 N CB -0.737 37.781 38.487 0.052 0.000 1.005 359 N HN 0.679 nan 8.380 nan 0.000 0.550 360 Q N 1.019 120.830 119.800 0.018 0.000 2.560 360 Q HA 0.270 4.617 4.340 0.011 0.000 0.238 360 Q C -0.037 175.904 176.000 -0.098 0.000 1.079 360 Q CA -0.434 55.346 55.803 -0.039 0.000 0.866 360 Q CB 0.943 29.619 28.738 -0.102 0.000 1.153 360 Q HN 0.257 nan 8.270 nan 0.000 0.530 361 M N 1.460 121.060 119.600 -0.000 0.000 2.241 361 M HA 0.275 4.762 4.480 0.011 0.000 0.335 361 M C 0.286 176.533 176.300 -0.088 0.000 1.122 361 M CA 0.131 55.433 55.300 0.003 0.000 1.164 361 M CB 0.749 33.412 32.600 0.104 0.000 1.459 361 M HN 0.487 nan 8.290 nan 0.000 0.461 362 S N 0.083 115.744 115.700 -0.066 0.000 2.550 362 S HA 0.393 4.870 4.470 0.011 0.000 0.274 362 S C -0.997 173.565 174.600 -0.064 0.000 1.110 362 S CA -1.080 57.071 58.200 -0.082 0.000 1.013 362 S CB 0.265 63.380 63.200 -0.143 0.000 1.152 362 S HN 0.364 nan 8.310 nan 0.000 0.450 363 V N 3.264 123.150 119.914 -0.047 0.000 2.425 363 V HA 0.088 4.215 4.120 0.011 0.000 0.276 363 V C 1.603 177.643 176.094 -0.090 0.000 1.017 363 V CA 0.196 62.459 62.300 -0.061 0.000 1.062 363 V CB -0.268 31.526 31.823 -0.050 0.000 0.997 363 V HN 1.250 nan 8.190 nan 0.000 0.476 364 C N 3.259 122.481 119.300 -0.129 0.000 3.183 364 C HA 0.517 4.984 4.460 0.011 0.000 0.285 364 C C 0.404 175.261 174.990 -0.222 0.000 1.313 364 C CA -0.640 58.288 59.018 -0.151 0.000 1.711 364 C CB -0.751 26.900 27.740 -0.149 0.000 2.135 364 C HN 0.691 nan 8.230 nan 0.000 0.651 365 K N 1.311 121.534 120.400 -0.295 0.000 2.551 365 K HA 0.717 5.044 4.320 0.011 0.000 0.269 365 K C -1.057 175.396 176.600 -0.245 0.000 0.949 365 K CA -0.005 55.989 56.287 -0.489 0.000 0.849 365 K CB 2.278 34.019 32.500 -1.266 0.000 1.411 365 K HN 0.669 nan 8.250 nan 0.000 0.432 366 M N 0.177 119.839 119.600 0.102 0.000 2.660 366 M HA 0.649 5.135 4.480 0.011 0.000 0.281 366 M C -1.485 175.230 176.300 0.691 0.000 1.131 366 M CA -1.057 54.488 55.300 0.408 0.000 0.858 366 M CB 1.826 34.508 32.600 0.138 0.000 1.732 366 M HN 0.450 nan 8.290 nan 0.000 0.516 367 F N 1.011 121.223 119.950 0.437 0.000 2.662 367 F HA 0.972 5.506 4.527 0.011 0.000 0.312 367 F C -1.635 174.279 175.800 0.191 0.000 1.113 367 F CA -1.099 57.082 58.000 0.301 0.000 0.951 367 F CB 1.406 40.524 39.000 0.197 0.000 1.344 367 F HN 0.890 nan 8.300 nan 0.000 0.462 368 I N -0.188 120.658 120.570 0.460 0.000 3.191 368 I HA 0.577 4.754 4.170 0.011 0.000 0.313 368 I C -1.197 175.140 176.117 0.367 0.000 1.193 368 I CA -1.394 60.078 61.300 0.286 0.000 0.968 368 I CB 2.153 40.233 38.000 0.133 0.000 1.262 368 I HN 0.517 nan 8.210 nan 0.000 0.456 369 I N 2.420 123.175 120.570 0.307 0.000 2.588 369 I HA 0.077 4.254 4.170 0.011 0.000 0.283 369 I C 0.552 176.765 176.117 0.160 0.000 1.119 369 I CA 0.614 62.051 61.300 0.228 0.000 1.419 369 I CB 0.688 38.818 38.000 0.217 0.000 1.394 369 I HN 0.817 nan 8.210 nan 0.000 0.562 370 D N 4.958 125.421 120.400 0.104 0.000 2.584 370 D HA 0.064 4.711 4.640 0.011 0.000 0.254 370 D C 0.428 176.786 176.300 0.097 0.000 1.085 370 D CA 1.014 55.081 54.000 0.112 0.000 0.971 370 D CB 0.687 41.538 40.800 0.085 0.000 1.103 370 D HN 0.518 nan 8.370 nan 0.000 0.453 371 K N -0.354 120.076 120.400 0.049 0.000 2.469 371 K HA 0.551 4.877 4.320 0.011 0.000 0.254 371 K C -1.850 174.739 176.600 -0.018 0.000 0.939 371 K CA -0.757 55.566 56.287 0.059 0.000 0.812 371 K CB 2.506 35.090 32.500 0.140 0.000 1.301 371 K HN -0.151 nan 8.250 nan 0.000 0.433 372 V N 3.542 123.470 119.914 0.023 0.000 2.340 372 V HA 0.176 4.302 4.120 0.011 0.000 0.277 372 V C -0.939 175.186 176.094 0.051 0.000 1.017 372 V CA -0.662 61.634 62.300 -0.006 0.000 0.820 372 V CB 1.203 33.037 31.823 0.018 0.000 1.028 372 V HN 0.773 nan 8.190 nan 0.000 0.436 373 D N 3.813 124.271 120.400 0.096 0.000 2.622 373 D HA 0.408 5.054 4.640 0.011 0.000 0.262 373 D C 1.167 177.540 176.300 0.122 0.000 1.189 373 D CA 0.955 55.045 54.000 0.152 0.000 0.985 373 D CB 1.071 42.032 40.800 0.267 0.000 0.994 373 D HN 0.661 nan 8.370 nan 0.000 0.513 374 G N 3.804 112.646 108.800 0.071 0.000 3.099 374 G HA2 -0.400 3.567 3.960 0.011 0.000 0.331 374 G HA3 -0.400 3.567 3.960 0.011 0.000 0.331 374 G C 0.936 175.863 174.900 0.045 0.000 1.216 374 G CA 0.537 45.669 45.100 0.053 0.000 0.977 374 G HN 0.519 nan 8.290 nan 0.000 0.600 375 D N 0.129 120.570 120.400 0.068 0.000 2.348 375 D HA 0.162 4.809 4.640 0.011 0.000 0.211 375 D C 0.385 176.744 176.300 0.099 0.000 0.998 375 D CA 0.133 54.171 54.000 0.063 0.000 0.873 375 D CB 0.141 40.979 40.800 0.063 0.000 0.925 375 D HN 0.149 nan 8.370 nan 0.000 0.524 376 F N 1.107 121.051 119.950 -0.010 0.000 2.443 376 F HA 0.405 4.939 4.527 0.011 0.000 0.335 376 F C -0.880 174.913 175.800 -0.012 0.000 1.104 376 F CA -1.283 56.709 58.000 -0.014 0.000 1.013 376 F CB 1.338 40.332 39.000 -0.010 0.000 1.136 376 F HN -0.167 nan 8.300 nan 0.000 0.470 377 C N 5.976 124.599 119.300 -1.129 0.000 2.642 377 C HA 0.794 5.261 4.460 0.011 0.000 0.344 377 C C -1.023 173.407 174.990 -0.933 0.000 1.110 377 C CA -0.079 58.444 59.018 -0.825 0.000 1.298 377 C CB 0.197 27.712 27.740 -0.374 0.000 1.827 377 C HN 1.051 nan 8.230 nan 0.000 0.467 378 S N 5.974 121.276 115.700 -0.663 0.000 2.568 378 S HA 0.896 5.373 4.470 0.011 0.000 0.302 378 S C -0.972 173.527 174.600 -0.169 0.000 1.082 378 S CA -0.694 57.298 58.200 -0.347 0.000 1.009 378 S CB 1.310 64.448 63.200 -0.104 0.000 1.069 378 S HN 0.827 nan 8.310 nan 0.000 0.500 379 L N 1.183 122.318 121.223 -0.147 0.000 2.303 379 L HA 0.555 4.902 4.340 0.011 0.000 0.266 379 L C -0.128 176.707 176.870 -0.058 0.000 1.011 379 L CA -0.873 53.912 54.840 -0.093 0.000 0.818 379 L CB 1.624 43.507 42.059 -0.294 0.000 1.326 379 L HN 0.756 nan 8.230 nan 0.000 0.435 380 N N 0.698 119.403 118.700 0.008 0.000 2.800 380 N HA 0.200 4.946 4.740 0.011 0.000 0.240 380 N C -1.093 174.270 175.510 -0.245 0.000 1.096 380 N CA -0.338 52.616 53.050 -0.160 0.000 0.877 380 N CB 0.840 39.272 38.487 -0.092 0.000 1.138 380 N HN 0.541 nan 8.380 nan 0.000 0.509 381 E N 1.326 121.372 120.200 -0.257 0.000 2.373 381 E HA 0.288 4.644 4.350 0.011 0.000 0.263 381 E C -0.770 175.527 176.600 -0.505 0.000 1.073 381 E CA 0.250 56.613 56.400 -0.060 0.000 0.894 381 E CB 1.140 30.896 29.700 0.093 0.000 1.008 381 E HN 0.274 nan 8.360 nan 0.000 0.420 382 F N -0.395 119.610 119.950 0.093 0.000 2.664 382 F HA 0.399 4.933 4.527 0.011 0.000 0.317 382 F C -0.046 175.732 175.800 -0.035 0.000 1.108 382 F CA -0.748 57.246 58.000 -0.009 0.000 0.957 382 F CB 2.211 41.173 39.000 -0.063 0.000 1.365 382 F HN 0.201 nan 8.300 nan 0.000 0.475 383 S N 1.935 117.721 115.700 0.144 0.000 2.536 383 S HA 0.774 5.251 4.470 0.011 0.000 0.287 383 S C -1.414 173.195 174.600 0.014 0.000 1.101 383 S CA -0.605 57.602 58.200 0.011 0.000 0.950 383 S CB 1.594 64.781 63.200 -0.022 0.000 1.056 383 S HN 0.314 nan 8.310 nan 0.000 0.481 384 I N 2.288 122.834 120.570 -0.039 0.000 2.646 384 I HA 0.558 4.735 4.170 0.011 0.000 0.299 384 I C 0.366 176.451 176.117 -0.053 0.000 1.036 384 I CA -0.769 60.506 61.300 -0.042 0.000 1.074 384 I CB 1.368 39.333 38.000 -0.059 0.000 1.258 384 I HN 0.679 nan 8.210 nan 0.000 0.430 385 T N -0.567 113.959 114.554 -0.045 0.000 2.940 385 T HA 0.827 5.183 4.350 0.011 0.000 0.288 385 T C 0.129 174.797 174.700 -0.053 0.000 1.033 385 T CA -0.632 61.439 62.100 -0.047 0.000 1.033 385 T CB 1.872 70.720 68.868 -0.033 0.000 1.079 385 T HN 1.470 nan 8.240 nan 0.000 0.496 386 G N 0.659 109.425 108.800 -0.056 0.000 3.373 386 G HA2 -0.014 3.952 3.960 0.011 0.000 0.685 386 G HA3 -0.014 3.952 3.960 0.011 0.000 0.685 386 G C 0.222 175.073 174.900 -0.082 0.000 1.166 386 G CA -0.236 44.828 45.100 -0.060 0.000 1.063 386 G HN 0.774 nan 8.290 nan 0.000 0.481 387 S N 0.137 115.785 115.700 -0.087 0.000 2.496 387 S HA 0.119 4.595 4.470 0.011 0.000 0.224 387 S C 1.975 176.464 174.600 -0.184 0.000 0.996 387 S CA 1.406 59.535 58.200 -0.120 0.000 0.927 387 S CB 0.041 63.182 63.200 -0.099 0.000 0.774 387 S HN 1.460 nan 8.310 nan 0.000 0.524 388 T N -1.346 113.111 114.554 -0.162 0.000 2.891 388 T HA 0.317 4.674 4.350 0.011 0.000 0.294 388 T C 0.434 174.980 174.700 -0.256 0.000 1.065 388 T CA -0.389 61.574 62.100 -0.229 0.000 0.936 388 T CB 0.044 68.865 68.868 -0.078 0.000 1.415 388 T HN 0.087 nan 8.240 nan 0.000 0.572 389 Y N 0.188 120.494 120.300 0.011 0.000 2.466 389 Y HA 0.552 5.108 4.550 0.011 0.000 0.272 389 Y C 1.709 177.556 175.900 -0.088 0.000 1.169 389 Y CA -0.629 57.465 58.100 -0.011 0.000 1.285 389 Y CB -0.858 37.623 38.460 0.036 0.000 1.078 389 Y HN 0.795 nan 8.280 nan 0.000 0.523 390 A N 2.554 125.382 122.820 0.013 0.000 2.498 390 A HA 0.133 4.460 4.320 0.011 0.000 0.239 390 A C -1.689 175.703 177.584 -0.321 0.000 1.068 390 A CA -0.915 50.948 52.037 -0.289 0.000 0.766 390 A CB -0.193 18.793 19.000 -0.023 0.000 1.003 390 A HN 0.114 nan 8.150 nan 0.000 0.497 391 P HA 0.139 nan 4.420 nan 0.000 0.235 391 P C -0.738 176.455 177.300 -0.178 0.000 1.725 391 P CA 0.367 63.299 63.100 -0.281 0.000 0.894 391 P CB -0.290 31.230 31.700 -0.300 0.000 1.704 392 E N 0.310 120.427 120.200 -0.138 0.000 2.186 392 E HA 0.642 4.999 4.350 0.011 0.000 0.255 392 E C 0.178 176.744 176.600 -0.057 0.000 0.881 392 E CA -0.607 55.747 56.400 -0.075 0.000 0.752 392 E CB 1.552 31.226 29.700 -0.043 0.000 1.176 392 E HN 0.221 nan 8.360 nan 0.000 0.421 393 G N 2.402 111.172 108.800 -0.051 0.000 2.356 393 G HA2 0.357 4.323 3.960 0.011 0.000 0.294 393 G HA3 0.357 4.323 3.960 0.011 0.000 0.294 393 G C -1.526 173.353 174.900 -0.036 0.000 1.423 393 G CA -0.849 44.225 45.100 -0.042 0.000 0.806 393 G HN 0.332 nan 8.290 nan 0.000 0.527 394 E N -0.923 119.262 120.200 -0.027 0.000 2.256 394 E HA 0.599 4.956 4.350 0.011 0.000 0.267 394 E C -0.876 175.718 176.600 -0.009 0.000 0.892 394 E CA -1.021 55.370 56.400 -0.016 0.000 0.775 394 E CB 3.066 32.765 29.700 -0.002 0.000 1.207 394 E HN 0.298 nan 8.360 nan 0.000 0.420 395 V N 3.115 123.028 119.914 -0.003 0.000 2.383 395 V HA 0.283 4.410 4.120 0.011 0.000 0.275 395 V C -0.363 175.788 176.094 0.095 0.000 1.036 395 V CA -0.553 61.757 62.300 0.016 0.000 0.889 395 V CB 0.130 31.918 31.823 -0.058 0.000 0.985 395 V HN 0.465 nan 8.190 nan 0.000 0.459 396 L N 4.547 125.849 121.223 0.131 0.000 2.329 396 L HA 0.704 5.050 4.340 0.011 0.000 0.279 396 L C -0.305 176.680 176.870 0.192 0.000 1.014 396 L CA -0.850 54.074 54.840 0.139 0.000 0.814 396 L CB 1.780 43.878 42.059 0.066 0.000 1.257 396 L HN 0.443 nan 8.230 nan 0.000 0.424 397 K N 2.485 122.984 120.400 0.164 0.000 2.413 397 K HA 0.347 4.674 4.320 0.011 0.000 0.257 397 K C -0.369 176.243 176.600 0.019 0.000 0.946 397 K CA -0.385 55.923 56.287 0.034 0.000 0.823 397 K CB 0.638 33.217 32.500 0.131 0.000 1.109 397 K HN 0.558 nan 8.250 nan 0.000 0.427 398 N N 4.396 123.077 118.700 -0.031 0.000 2.714 398 N HA -0.222 4.525 4.740 0.011 0.000 0.253 398 N C -1.162 174.354 175.510 0.010 0.000 1.024 398 N CA 0.908 53.952 53.050 -0.010 0.000 0.726 398 N CB -1.015 37.472 38.487 0.001 0.000 0.908 398 N HN 0.921 nan 8.380 nan 0.000 0.542 399 D N -1.949 118.457 120.400 0.011 0.000 3.070 399 D HA -0.239 4.407 4.640 0.011 0.000 0.220 399 D C -0.008 176.308 176.300 0.026 0.000 1.176 399 D CA 1.546 55.555 54.000 0.015 0.000 0.924 399 D CB -0.266 40.538 40.800 0.007 0.000 1.124 399 D HN 0.604 nan 8.370 nan 0.000 0.411 400 K N 0.080 120.505 120.400 0.043 0.000 2.426 400 K HA 0.432 4.759 4.320 0.011 0.000 0.254 400 K C -2.785 173.860 176.600 0.075 0.000 0.936 400 K CA -2.353 53.965 56.287 0.051 0.000 0.801 400 K CB 1.774 34.303 32.500 0.049 0.000 1.139 400 K HN -0.281 nan 8.250 nan 0.000 0.424 401 P HA -0.064 nan 4.420 nan 0.000 0.263 401 P C -0.997 176.360 177.300 0.096 0.000 1.175 401 P CA 0.200 63.342 63.100 0.069 0.000 0.761 401 P CB 0.279 32.004 31.700 0.042 0.000 0.794 402 I N -0.324 120.320 120.570 0.124 0.000 2.994 402 I HA 0.567 4.743 4.170 0.011 0.000 0.306 402 I C -0.757 175.428 176.117 0.113 0.000 1.195 402 I CA -1.351 60.043 61.300 0.158 0.000 1.001 402 I CB 1.730 39.921 38.000 0.318 0.000 1.244 402 I HN -0.066 nan 8.210 nan 0.000 0.437 403 R N 3.027 123.581 120.500 0.090 0.000 2.248 403 R HA 0.320 4.667 4.340 0.011 0.000 0.337 403 R C 0.667 177.007 176.300 0.067 0.000 1.085 403 R CA -0.143 55.981 56.100 0.040 0.000 0.934 403 R CB 0.332 30.636 30.300 0.008 0.000 1.034 403 R HN 0.895 nan 8.270 nan 0.000 0.465 404 S N 2.297 117.998 115.700 0.001 0.000 2.374 404 S HA -0.173 4.304 4.470 0.011 0.000 0.227 404 S C 1.983 176.580 174.600 -0.005 0.000 1.037 404 S CA 1.746 59.915 58.200 -0.052 0.000 1.024 404 S CB -0.159 62.925 63.200 -0.194 0.000 0.861 404 S HN 0.865 nan 8.310 nan 0.000 0.456 405 G N 1.065 109.823 108.800 -0.070 0.000 2.516 405 G HA2 -0.295 3.671 3.960 0.011 0.000 0.221 405 G HA3 -0.295 3.671 3.960 0.011 0.000 0.221 405 G C 1.203 176.075 174.900 -0.046 0.000 1.107 405 G CA 0.910 45.954 45.100 -0.094 0.000 0.747 405 G HN 0.549 nan 8.290 nan 0.000 0.567 406 Q N -0.713 119.064 119.800 -0.039 0.000 2.124 406 Q HA -0.029 4.317 4.340 0.011 0.000 0.202 406 Q C 0.021 175.881 176.000 -0.234 0.000 0.977 406 Q CA 0.443 56.144 55.803 -0.169 0.000 0.850 406 Q CB -0.080 28.483 28.738 -0.293 0.000 0.901 406 Q HN 0.437 nan 8.270 nan 0.000 0.429 407 F N 1.160 121.096 119.950 -0.023 0.000 2.411 407 F HA 0.119 4.652 4.527 0.011 0.000 0.350 407 F C 1.035 176.812 175.800 -0.038 0.000 1.114 407 F CA -0.813 57.189 58.000 0.003 0.000 1.135 407 F CB 1.013 40.036 39.000 0.039 0.000 1.120 407 F HN -0.050 nan 8.300 nan 0.000 0.495 408 D N 2.674 123.163 120.400 0.149 0.000 2.097 408 D HA -0.122 4.525 4.640 0.011 0.000 0.195 408 D C 2.334 178.666 176.300 0.053 0.000 0.989 408 D CA 1.517 55.560 54.000 0.072 0.000 0.827 408 D CB -0.424 40.414 40.800 0.063 0.000 0.966 408 D HN 0.802 nan 8.370 nan 0.000 0.456 409 G N 0.998 109.854 108.800 0.095 0.000 2.469 409 G HA2 -0.223 3.743 3.960 0.011 0.000 0.220 409 G HA3 -0.223 3.743 3.960 0.011 0.000 0.220 409 G C 1.756 176.634 174.900 -0.037 0.000 1.136 409 G CA 0.278 45.401 45.100 0.037 0.000 0.759 409 G HN 0.258 nan 8.290 nan 0.000 0.562 410 L N 0.264 121.466 121.223 -0.035 0.000 2.291 410 L HA -0.025 4.321 4.340 0.011 0.000 0.214 410 L C 2.888 179.645 176.870 -0.189 0.000 1.120 410 L CA 0.183 54.924 54.840 -0.166 0.000 0.799 410 L CB -0.160 41.733 42.059 -0.277 0.000 0.925 410 L HN 0.122 nan 8.230 nan 0.000 0.446 411 V N -0.181 119.639 119.914 -0.156 0.000 2.358 411 V HA -0.269 3.858 4.120 0.011 0.000 0.246 411 V C 2.377 178.338 176.094 -0.222 0.000 1.047 411 V CA 1.844 63.997 62.300 -0.246 0.000 1.035 411 V CB -0.337 31.362 31.823 -0.208 0.000 0.658 411 V HN 0.471 nan 8.190 nan 0.000 0.452 412 E N 0.103 120.212 120.200 -0.152 0.000 2.031 412 E HA -0.219 4.138 4.350 0.011 0.000 0.193 412 E C 2.299 178.762 176.600 -0.229 0.000 0.994 412 E CA 1.203 57.503 56.400 -0.166 0.000 0.800 412 E CB -0.221 29.421 29.700 -0.097 0.000 0.752 412 E HN 0.346 nan 8.360 nan 0.000 0.447 413 L N 0.961 122.062 121.223 -0.204 0.000 2.064 413 L HA -0.241 4.106 4.340 0.011 0.000 0.216 413 L C 2.231 178.965 176.870 -0.227 0.000 1.077 413 L CA 2.557 57.267 54.840 -0.216 0.000 0.766 413 L CB -1.380 40.557 42.059 -0.203 0.000 0.890 413 L HN 0.297 nan 8.230 nan 0.000 0.435 414 A N -1.700 120.978 122.820 -0.238 0.000 1.970 414 A HA -0.114 4.213 4.320 0.011 0.000 0.216 414 A C 2.152 179.590 177.584 -0.244 0.000 1.170 414 A CA 1.580 53.479 52.037 -0.229 0.000 0.645 414 A CB -0.744 18.108 19.000 -0.247 0.000 0.816 414 A HN 0.510 nan 8.150 nan 0.000 0.447 415 T N 0.888 115.266 114.554 -0.293 0.000 2.652 415 T HA -0.165 4.192 4.350 0.011 0.000 0.267 415 T C 1.808 176.206 174.700 -0.504 0.000 1.039 415 T CA 1.713 63.595 62.100 -0.364 0.000 1.153 415 T CB -0.480 68.127 68.868 -0.435 0.000 0.863 415 T HN 0.443 nan 8.240 nan 0.000 0.428 416 I N 0.856 121.092 120.570 -0.557 0.000 2.127 416 I HA -0.229 3.948 4.170 0.011 0.000 0.241 416 I C 2.781 178.766 176.117 -0.219 0.000 1.075 416 I CA 1.090 62.128 61.300 -0.437 0.000 1.334 416 I CB -0.752 37.088 38.000 -0.268 0.000 1.040 416 I HN 0.335 nan 8.210 nan 0.000 0.405 417 C N 0.917 120.106 119.300 -0.185 0.000 2.403 417 C HA -0.170 4.297 4.460 0.011 0.000 0.277 417 C C 3.154 178.083 174.990 -0.102 0.000 1.248 417 C CA 1.090 60.035 59.018 -0.123 0.000 1.762 417 C CB -1.320 26.349 27.740 -0.120 0.000 2.014 417 C HN 0.632 nan 8.230 nan 0.000 0.486 418 A N -0.435 122.311 122.820 -0.124 0.000 1.935 418 A HA 0.100 4.427 4.320 0.011 0.000 0.214 418 A C 2.090 179.641 177.584 -0.055 0.000 1.178 418 A CA 0.998 52.987 52.037 -0.080 0.000 0.640 418 A CB -0.347 18.608 19.000 -0.075 0.000 0.825 418 A HN 0.580 nan 8.150 nan 0.000 0.447 419 L N -1.354 119.819 121.223 -0.083 0.000 2.127 419 L HA -0.031 4.316 4.340 0.011 0.000 0.203 419 L C 1.726 178.626 176.870 0.049 0.000 1.080 419 L CA 0.591 55.428 54.840 -0.005 0.000 0.768 419 L CB -0.266 41.802 42.059 0.014 0.000 0.924 419 L HN 0.469 nan 8.230 nan 0.000 0.444 420 C N 2.248 121.574 119.300 0.044 0.000 3.089 420 C HA 0.276 4.743 4.460 0.011 0.000 0.548 420 C C 0.264 175.274 174.990 0.032 0.000 1.205 420 C CA -0.491 58.569 59.018 0.070 0.000 1.398 420 C CB -2.310 25.489 27.740 0.098 0.000 1.764 420 C HN 0.362 nan 8.230 nan 0.000 0.638 421 N N 1.010 119.725 118.700 0.026 0.000 2.478 421 N HA 0.232 4.979 4.740 0.011 0.000 0.291 421 N C -0.425 175.099 175.510 0.024 0.000 1.090 421 N CA -0.159 52.897 53.050 0.010 0.000 0.911 421 N CB 1.575 40.054 38.487 -0.014 0.000 1.546 421 N HN 0.285 nan 8.380 nan 0.000 0.500 422 D N 0.393 120.809 120.400 0.028 0.000 2.339 422 D HA 0.240 4.887 4.640 0.011 0.000 0.217 422 D C -0.177 176.135 176.300 0.020 0.000 1.050 422 D CA 0.649 54.672 54.000 0.039 0.000 0.856 422 D CB 0.570 41.405 40.800 0.057 0.000 0.922 422 D HN 0.375 nan 8.370 nan 0.000 0.518 423 S N -1.241 114.456 115.700 -0.004 0.000 2.766 423 S HA 0.775 5.251 4.470 0.011 0.000 0.307 423 S C -0.083 174.497 174.600 -0.033 0.000 1.121 423 S CA -0.724 57.459 58.200 -0.029 0.000 0.980 423 S CB 1.828 64.993 63.200 -0.058 0.000 1.159 423 S HN 0.202 nan 8.310 nan 0.000 0.546 424 S N -0.476 115.190 115.700 -0.056 0.000 2.790 424 S HA 0.796 5.273 4.470 0.011 0.000 0.292 424 S C -1.911 172.646 174.600 -0.071 0.000 1.197 424 S CA -0.690 57.482 58.200 -0.047 0.000 0.851 424 S CB 0.782 63.965 63.200 -0.028 0.000 1.217 424 S HN 0.442 nan 8.310 nan 0.000 0.526 425 L N 1.091 122.296 121.223 -0.030 0.000 2.401 425 L HA 0.826 5.173 4.340 0.011 0.000 0.266 425 L C -1.792 175.114 176.870 0.059 0.000 0.991 425 L CA -0.010 54.832 54.840 0.003 0.000 0.818 425 L CB 1.966 44.055 42.059 0.049 0.000 1.321 425 L HN 1.012 nan 8.230 nan 0.000 0.413 426 D N 2.046 122.490 120.400 0.074 0.000 2.896 426 D HA 0.313 4.959 4.640 0.011 0.000 0.241 426 D C -1.604 174.747 176.300 0.086 0.000 1.188 426 D CA -0.274 53.766 54.000 0.068 0.000 0.879 426 D CB 1.234 42.022 40.800 -0.020 0.000 1.553 426 D HN 0.270 nan 8.370 nan 0.000 0.515 427 F N 3.888 123.786 119.950 -0.087 0.000 2.420 427 F HA 0.372 4.906 4.527 0.011 0.000 0.352 427 F C 0.052 175.733 175.800 -0.198 0.000 1.108 427 F CA -0.640 57.185 58.000 -0.291 0.000 1.162 427 F CB 0.782 39.490 39.000 -0.485 0.000 1.118 427 F HN 0.269 nan 8.300 nan 0.000 0.510 428 N N 5.802 123.951 118.700 -0.918 0.000 2.469 428 N HA 0.048 4.795 4.740 0.011 0.000 0.239 428 N C 0.688 175.730 175.510 -0.779 0.000 1.053 428 N CA 0.103 52.788 53.050 -0.609 0.000 0.937 428 N CB 0.598 38.829 38.487 -0.427 0.000 1.163 428 N HN 0.813 nan 8.380 nan 0.000 0.509 429 E N 1.426 121.450 120.200 -0.292 0.000 2.085 429 E HA -0.173 4.184 4.350 0.011 0.000 0.194 429 E C 1.042 177.590 176.600 -0.086 0.000 0.994 429 E CA 1.608 57.996 56.400 -0.019 0.000 0.801 429 E CB 0.164 29.918 29.700 0.090 0.000 0.743 429 E HN 0.618 nan 8.360 nan 0.000 0.453 430 T N 1.635 116.119 114.554 -0.118 0.000 2.569 430 T HA -0.173 4.184 4.350 0.011 0.000 0.263 430 T C 1.715 176.349 174.700 -0.111 0.000 1.074 430 T CA 1.388 63.434 62.100 -0.091 0.000 1.176 430 T CB -0.197 68.618 68.868 -0.087 0.000 0.863 430 T HN 0.119 nan 8.240 nan 0.000 0.410 431 K N 0.732 121.032 120.400 -0.167 0.000 2.439 431 K HA 0.174 4.501 4.320 0.011 0.000 0.197 431 K C 1.264 177.756 176.600 -0.180 0.000 1.041 431 K CA 0.423 56.619 56.287 -0.152 0.000 0.970 431 K CB -0.140 32.266 32.500 -0.157 0.000 0.773 431 K HN 0.491 nan 8.250 nan 0.000 0.479 432 G N 2.075 110.699 108.800 -0.294 0.000 2.333 432 G HA2 -0.225 3.741 3.960 0.011 0.000 0.296 432 G HA3 -0.225 3.741 3.960 0.011 0.000 0.296 432 G C -0.397 174.327 174.900 -0.293 0.000 1.059 432 G CA 0.478 45.438 45.100 -0.234 0.000 1.050 432 G HN 0.266 nan 8.290 nan 0.000 0.508 433 V N -0.501 118.967 119.914 -0.743 0.000 3.147 433 V HA 0.686 4.812 4.120 0.011 0.000 0.299 433 V C -0.958 174.833 176.094 -0.506 0.000 1.302 433 V CA -1.738 60.355 62.300 -0.346 0.000 1.015 433 V CB 1.419 33.187 31.823 -0.091 0.000 1.086 433 V HN 0.539 nan 8.190 nan 0.000 0.437 434 Y N 3.375 123.682 120.300 0.011 0.000 2.393 434 Y HA 0.524 5.081 4.550 0.011 0.000 0.338 434 Y C 0.793 176.729 175.900 0.060 0.000 1.029 434 Y CA 0.075 58.232 58.100 0.095 0.000 1.239 434 Y CB 0.569 39.166 38.460 0.228 0.000 1.170 434 Y HN 0.588 nan 8.280 nan 0.000 0.515 435 E N 3.260 123.513 120.200 0.088 0.000 2.202 435 E HA 0.302 4.658 4.350 0.011 0.000 0.272 435 E C -0.657 175.914 176.600 -0.047 0.000 0.951 435 E CA -1.294 55.131 56.400 0.041 0.000 0.813 435 E CB 1.528 31.205 29.700 -0.038 0.000 1.151 435 E HN 0.523 nan 8.360 nan 0.000 0.398 436 K N -0.244 120.037 120.400 -0.198 0.000 2.138 436 K HA 0.433 4.759 4.320 0.011 0.000 0.251 436 K C -0.656 175.834 176.600 -0.184 0.000 1.015 436 K CA -0.614 55.456 56.287 -0.362 0.000 0.917 436 K CB 0.841 32.926 32.500 -0.691 0.000 1.021 436 K HN 0.153 nan 8.250 nan 0.000 0.485 437 V N 1.618 121.434 119.914 -0.163 0.000 2.439 437 V HA 0.537 4.664 4.120 0.011 0.000 0.277 437 V C 0.174 176.212 176.094 -0.092 0.000 1.008 437 V CA 0.274 62.510 62.300 -0.105 0.000 0.846 437 V CB 0.164 31.931 31.823 -0.094 0.000 1.031 437 V HN 1.195 nan 8.190 nan 0.000 0.441 438 G N 4.269 113.025 108.800 -0.074 0.000 2.342 438 G HA2 -0.040 3.926 3.960 0.011 0.000 0.220 438 G HA3 -0.040 3.926 3.960 0.011 0.000 0.220 438 G C -0.951 173.917 174.900 -0.053 0.000 1.243 438 G CA -0.837 44.233 45.100 -0.049 0.000 1.083 438 G HN 0.443 nan 8.290 nan 0.000 0.500 439 E N 0.767 120.945 120.200 -0.037 0.000 2.316 439 E HA 0.510 4.867 4.350 0.011 0.000 0.275 439 E C 1.489 178.062 176.600 -0.046 0.000 1.029 439 E CA 0.342 56.725 56.400 -0.027 0.000 0.871 439 E CB 1.289 30.980 29.700 -0.016 0.000 1.022 439 E HN 1.007 nan 8.360 nan 0.000 0.418 440 A N 3.580 126.394 122.820 -0.010 0.000 1.892 440 A HA -0.228 4.098 4.320 0.011 0.000 0.218 440 A C 2.161 179.786 177.584 0.068 0.000 1.188 440 A CA 2.329 54.397 52.037 0.050 0.000 0.631 440 A CB -0.666 18.431 19.000 0.161 0.000 0.822 440 A HN 0.632 nan 8.150 nan 0.000 0.447 441 T N -0.283 114.289 114.554 0.030 0.000 2.699 441 T HA -0.174 4.183 4.350 0.011 0.000 0.268 441 T C 1.807 176.499 174.700 -0.012 0.000 1.036 441 T CA 1.777 63.881 62.100 0.008 0.000 1.147 441 T CB -0.269 68.576 68.868 -0.039 0.000 0.862 441 T HN 0.652 nan 8.240 nan 0.000 0.446 442 E N 0.211 120.388 120.200 -0.038 0.000 2.046 442 E HA -0.079 4.277 4.350 0.011 0.000 0.190 442 E C 2.494 179.068 176.600 -0.043 0.000 0.982 442 E CA 1.231 57.603 56.400 -0.046 0.000 0.800 442 E CB -0.182 29.488 29.700 -0.050 0.000 0.756 442 E HN 0.369 nan 8.360 nan 0.000 0.449 443 T N 1.124 115.634 114.554 -0.074 0.000 2.803 443 T HA -0.177 4.180 4.350 0.011 0.000 0.269 443 T C 1.931 176.629 174.700 -0.003 0.000 1.052 443 T CA 1.096 63.117 62.100 -0.133 0.000 1.136 443 T CB -0.200 68.429 68.868 -0.398 0.000 0.864 443 T HN 0.235 nan 8.240 nan 0.000 0.467 444 A N 1.253 124.139 122.820 0.110 0.000 1.908 444 A HA -0.055 4.272 4.320 0.011 0.000 0.218 444 A C 2.118 179.735 177.584 0.054 0.000 1.181 444 A CA 1.306 53.443 52.037 0.165 0.000 0.627 444 A CB -0.720 18.352 19.000 0.121 0.000 0.818 444 A HN 0.373 nan 8.150 nan 0.000 0.445 445 L N -0.464 120.763 121.223 0.007 0.000 2.141 445 L HA -0.085 4.261 4.340 0.011 0.000 0.209 445 L C 2.668 179.517 176.870 -0.035 0.000 1.094 445 L CA 2.182 57.005 54.840 -0.028 0.000 0.763 445 L CB -1.201 40.832 42.059 -0.043 0.000 0.908 445 L HN 0.346 nan 8.230 nan 0.000 0.437 446 T N -1.242 113.295 114.554 -0.027 0.000 2.737 446 T HA -0.177 4.180 4.350 0.011 0.000 0.265 446 T C 1.905 176.588 174.700 -0.030 0.000 1.038 446 T CA 1.932 64.011 62.100 -0.034 0.000 1.144 446 T CB -0.364 68.480 68.868 -0.040 0.000 0.866 446 T HN 0.588 nan 8.240 nan 0.000 0.434 447 T N 1.419 115.972 114.554 -0.002 0.000 2.788 447 T HA -0.074 4.283 4.350 0.011 0.000 0.268 447 T C 1.970 176.644 174.700 -0.043 0.000 1.044 447 T CA 1.074 63.165 62.100 -0.015 0.000 1.139 447 T CB -0.722 68.173 68.868 0.044 0.000 0.867 447 T HN 0.175 nan 8.240 nan 0.000 0.454 448 L N 2.554 123.755 121.223 -0.038 0.000 1.956 448 L HA -0.085 4.262 4.340 0.011 0.000 0.216 448 L C 2.804 179.622 176.870 -0.086 0.000 1.073 448 L CA 2.464 57.265 54.840 -0.064 0.000 0.762 448 L CB -1.077 40.943 42.059 -0.066 0.000 0.889 448 L HN 0.347 nan 8.230 nan 0.000 0.433 449 V N -2.365 117.497 119.914 -0.088 0.000 2.568 449 V HA -0.202 3.925 4.120 0.011 0.000 0.253 449 V C 2.355 178.396 176.094 -0.089 0.000 1.072 449 V CA 1.881 64.119 62.300 -0.103 0.000 1.084 449 V CB -0.881 30.883 31.823 -0.098 0.000 0.676 449 V HN 0.569 nan 8.190 nan 0.000 0.469 450 E N 0.975 121.131 120.200 -0.074 0.000 2.077 450 E HA -0.167 4.190 4.350 0.011 0.000 0.193 450 E C 2.217 178.770 176.600 -0.078 0.000 0.989 450 E CA 1.693 58.051 56.400 -0.071 0.000 0.800 450 E CB -0.245 29.407 29.700 -0.080 0.000 0.746 450 E HN 0.724 nan 8.360 nan 0.000 0.452 451 K N 0.049 120.398 120.400 -0.085 0.000 2.025 451 K HA -0.015 4.312 4.320 0.011 0.000 0.207 451 K C 2.319 178.867 176.600 -0.088 0.000 1.049 451 K CA 1.249 57.487 56.287 -0.082 0.000 0.933 451 K CB -0.138 32.314 32.500 -0.080 0.000 0.714 451 K HN 0.064 nan 8.250 nan 0.000 0.438 452 M N 0.581 120.115 119.600 -0.111 0.000 2.159 452 M HA -0.137 4.349 4.480 0.011 0.000 0.263 452 M C 0.563 176.787 176.300 -0.125 0.000 1.063 452 M CA 0.672 55.890 55.300 -0.137 0.000 1.110 452 M CB -0.431 32.059 32.600 -0.184 0.000 1.374 452 M HN 0.161 nan 8.290 nan 0.000 0.411 453 N N 1.053 119.685 118.700 -0.113 0.000 2.699 453 N HA -0.133 4.614 4.740 0.011 0.000 0.256 453 N C 0.503 175.932 175.510 -0.135 0.000 0.993 453 N CA 0.661 53.657 53.050 -0.090 0.000 0.759 453 N CB -0.609 37.847 38.487 -0.051 0.000 0.906 453 N HN 0.392 nan 8.380 nan 0.000 0.541 454 V N -2.775 116.983 119.914 -0.261 0.000 2.660 454 V HA -0.147 3.980 4.120 0.011 0.000 0.257 454 V C 1.530 177.361 176.094 -0.438 0.000 1.088 454 V CA 1.648 63.698 62.300 -0.416 0.000 1.106 454 V CB -0.768 30.657 31.823 -0.665 0.000 0.686 454 V HN 0.255 nan 8.190 nan 0.000 0.481 455 F N 1.410 121.337 119.950 -0.038 0.000 2.647 455 F HA 0.467 5.001 4.527 0.011 0.000 0.300 455 F C 0.838 176.622 175.800 -0.026 0.000 1.106 455 F CA -1.427 56.555 58.000 -0.031 0.000 1.313 455 F CB -0.974 38.007 39.000 -0.031 0.000 1.007 455 F HN 0.236 nan 8.300 nan 0.000 0.536 456 N N 1.216 119.968 118.700 0.086 0.000 2.607 456 N HA -0.185 4.562 4.740 0.011 0.000 0.285 456 N C -0.284 175.264 175.510 0.064 0.000 1.151 456 N CA 0.852 53.933 53.050 0.052 0.000 0.749 456 N CB -1.282 37.231 38.487 0.043 0.000 0.923 456 N HN 0.127 nan 8.380 nan 0.000 0.552 457 T N 0.954 115.541 114.554 0.056 0.000 2.867 457 T HA 0.203 4.560 4.350 0.011 0.000 0.282 457 T C 0.564 175.277 174.700 0.022 0.000 1.000 457 T CA -0.671 61.457 62.100 0.046 0.000 1.042 457 T CB 1.569 70.471 68.868 0.057 0.000 0.973 457 T HN 0.114 nan 8.240 nan 0.000 0.465 458 E N 1.991 122.200 120.200 0.016 0.000 2.341 458 E HA 0.110 4.466 4.350 0.011 0.000 0.256 458 E C 0.950 177.553 176.600 0.004 0.000 1.125 458 E CA -0.138 56.266 56.400 0.007 0.000 0.939 458 E CB 0.359 30.062 29.700 0.004 0.000 0.991 458 E HN 0.501 nan 8.360 nan 0.000 0.458 459 V N 1.445 121.359 119.914 0.000 0.000 3.612 459 V HA -0.012 4.115 4.120 0.011 0.000 0.268 459 V C 2.003 178.092 176.094 -0.008 0.000 1.365 459 V CA 0.133 62.430 62.300 -0.004 0.000 1.044 459 V CB -0.107 31.712 31.823 -0.008 0.000 0.820 459 V HN 0.558 nan 8.190 nan 0.000 0.444 460 R N 1.338 121.834 120.500 -0.007 0.000 2.096 460 R HA -0.053 4.294 4.340 0.011 0.000 0.235 460 R C 0.849 177.143 176.300 -0.010 0.000 1.127 460 R CA 1.921 58.016 56.100 -0.008 0.000 0.968 460 R CB -0.887 29.410 30.300 -0.006 0.000 0.861 460 R HN 0.490 nan 8.270 nan 0.000 0.440 461 N N 1.215 119.910 118.700 -0.008 0.000 2.843 461 N HA 0.217 4.963 4.740 0.011 0.000 0.284 461 N C -0.728 174.775 175.510 -0.012 0.000 1.274 461 N CA 0.294 53.339 53.050 -0.010 0.000 1.045 461 N CB 0.362 38.846 38.487 -0.007 0.000 1.370 461 N HN 0.235 nan 8.380 nan 0.000 0.525 462 L N -0.484 120.730 121.223 -0.016 0.000 2.376 462 L HA 0.389 4.736 4.340 0.011 0.000 0.258 462 L C 0.543 177.391 176.870 -0.037 0.000 1.013 462 L CA -0.875 53.953 54.840 -0.020 0.000 0.822 462 L CB 1.900 43.952 42.059 -0.012 0.000 1.388 462 L HN 0.015 nan 8.230 nan 0.000 0.413 463 S N -0.227 115.444 115.700 -0.049 0.000 2.645 463 S HA 0.305 4.782 4.470 0.011 0.000 0.266 463 S C 0.789 175.304 174.600 -0.142 0.000 1.258 463 S CA -0.695 57.449 58.200 -0.093 0.000 0.990 463 S CB 1.269 64.416 63.200 -0.088 0.000 0.967 463 S HN 0.499 nan 8.310 nan 0.000 0.556 464 K N 0.444 120.661 120.400 -0.305 0.000 2.009 464 K HA -0.077 4.250 4.320 0.011 0.000 0.210 464 K C 2.152 178.501 176.600 -0.418 0.000 1.049 464 K CA 1.382 57.321 56.287 -0.580 0.000 0.929 464 K CB -1.323 30.295 32.500 -1.470 0.000 0.714 464 K HN 0.511 nan 8.250 nan 0.000 0.440 465 V N 1.929 121.650 119.914 -0.322 0.000 2.332 465 V HA -0.257 3.870 4.120 0.011 0.000 0.248 465 V C 1.839 177.946 176.094 0.022 0.000 1.055 465 V CA 1.955 64.221 62.300 -0.057 0.000 1.038 465 V CB -0.157 31.664 31.823 -0.004 0.000 0.651 465 V HN 0.360 nan 8.190 nan 0.000 0.450 466 E N -0.417 119.779 120.200 -0.006 0.000 2.158 466 E HA -0.182 4.175 4.350 0.011 0.000 0.191 466 E C 2.308 178.930 176.600 0.037 0.000 0.982 466 E CA 0.875 57.286 56.400 0.018 0.000 0.823 466 E CB -0.164 29.537 29.700 0.000 0.000 0.766 466 E HN 0.409 nan 8.360 nan 0.000 0.468 467 R N 1.492 122.017 120.500 0.041 0.000 2.193 467 R HA -0.059 4.288 4.340 0.011 0.000 0.229 467 R C 1.883 178.223 176.300 0.066 0.000 1.110 467 R CA 1.203 57.330 56.100 0.044 0.000 0.988 467 R CB -0.507 29.816 30.300 0.038 0.000 0.871 467 R HN 0.142 nan 8.270 nan 0.000 0.458 468 A N 0.374 123.300 122.820 0.177 0.000 1.883 468 A HA -0.149 4.178 4.320 0.011 0.000 0.217 468 A C 1.526 179.154 177.584 0.073 0.000 1.186 468 A CA 1.884 54.038 52.037 0.194 0.000 0.624 468 A CB -0.273 18.933 19.000 0.345 0.000 0.822 468 A HN 0.502 nan 8.150 nan 0.000 0.444 469 N N -1.639 117.097 118.700 0.060 0.000 2.159 469 N HA 0.269 5.015 4.740 0.011 0.000 0.217 469 N C 1.505 177.030 175.510 0.025 0.000 1.223 469 N CA 0.709 53.779 53.050 0.034 0.000 0.896 469 N CB 0.315 38.826 38.487 0.039 0.000 1.064 469 N HN 0.392 nan 8.380 nan 0.000 0.518 470 A N 1.460 124.295 122.820 0.025 0.000 1.891 470 A HA -0.296 4.030 4.320 0.011 0.000 0.221 470 A C 2.425 180.023 177.584 0.024 0.000 1.394 470 A CA 2.088 54.138 52.037 0.022 0.000 0.730 470 A CB -1.326 17.683 19.000 0.015 0.000 0.845 470 A HN 0.433 nan 8.150 nan 0.000 0.471 471 C N -0.640 118.670 119.300 0.016 0.000 2.396 471 C HA -0.150 4.317 4.460 0.011 0.000 0.277 471 C C 2.727 177.737 174.990 0.034 0.000 1.231 471 C CA 1.198 60.233 59.018 0.027 0.000 1.775 471 C CB -1.777 25.960 27.740 -0.005 0.000 2.036 471 C HN 0.667 nan 8.230 nan 0.000 0.484 472 N N 0.771 119.479 118.700 0.014 0.000 2.084 472 N HA -0.097 4.650 4.740 0.011 0.000 0.190 472 N C 1.956 177.483 175.510 0.028 0.000 1.030 472 N CA 1.464 54.521 53.050 0.011 0.000 0.849 472 N CB -0.432 38.056 38.487 0.002 0.000 1.012 472 N HN 0.452 nan 8.380 nan 0.000 0.423 473 S N 0.724 116.442 115.700 0.031 0.000 2.365 473 S HA -0.099 4.378 4.470 0.011 0.000 0.225 473 S C 2.278 176.898 174.600 0.033 0.000 1.039 473 S CA 0.942 59.162 58.200 0.033 0.000 1.033 473 S CB -0.379 62.841 63.200 0.032 0.000 0.887 473 S HN 0.095 nan 8.310 nan 0.000 0.447 474 V N 2.295 122.235 119.914 0.043 0.000 2.252 474 V HA -0.234 3.893 4.120 0.011 0.000 0.249 474 V C 2.041 178.167 176.094 0.053 0.000 1.056 474 V CA 1.867 64.193 62.300 0.044 0.000 1.022 474 V CB -0.714 31.164 31.823 0.092 0.000 0.641 474 V HN 0.494 nan 8.190 nan 0.000 0.445 475 I N -0.600 120.037 120.570 0.113 0.000 2.454 475 I HA -0.217 3.960 4.170 0.011 0.000 0.254 475 I C 2.613 178.762 176.117 0.053 0.000 1.156 475 I CA 1.324 62.701 61.300 0.129 0.000 1.433 475 I CB -0.476 37.591 38.000 0.111 0.000 1.082 475 I HN 0.252 nan 8.210 nan 0.000 0.432 476 R N 0.515 121.037 120.500 0.037 0.000 2.189 476 R HA -0.127 4.220 4.340 0.011 0.000 0.223 476 R C 2.088 178.402 176.300 0.022 0.000 1.092 476 R CA 0.866 56.985 56.100 0.031 0.000 0.989 476 R CB -0.139 30.180 30.300 0.033 0.000 0.876 476 R HN 0.519 nan 8.270 nan 0.000 0.457 477 Q N -0.121 119.682 119.800 0.006 0.000 2.331 477 Q HA -0.039 4.308 4.340 0.011 0.000 0.203 477 Q C 1.632 177.616 176.000 -0.027 0.000 0.944 477 Q CA 0.657 56.452 55.803 -0.013 0.000 0.892 477 Q CB 0.194 28.914 28.738 -0.029 0.000 0.983 477 Q HN 0.193 nan 8.270 nan 0.000 0.482 478 L N -0.491 120.712 121.223 -0.033 0.000 2.156 478 L HA -0.022 4.324 4.340 0.011 0.000 0.208 478 L C 0.662 177.537 176.870 0.008 0.000 1.095 478 L CA 1.187 56.003 54.840 -0.040 0.000 0.770 478 L CB 0.172 42.201 42.059 -0.051 0.000 0.914 478 L HN 0.174 nan 8.230 nan 0.000 0.439 479 M N -0.842 118.782 119.600 0.040 0.000 2.530 479 M HA 0.303 4.790 4.480 0.011 0.000 0.307 479 M C -0.542 175.788 176.300 0.051 0.000 1.161 479 M CA -0.514 54.825 55.300 0.065 0.000 0.903 479 M CB 1.916 34.607 32.600 0.152 0.000 1.711 479 M HN -0.161 nan 8.290 nan 0.000 0.451 480 K N 2.039 122.462 120.400 0.039 0.000 2.213 480 K HA 0.273 4.600 4.320 0.011 0.000 0.270 480 K C -0.539 176.086 176.600 0.043 0.000 1.002 480 K CA -0.367 55.943 56.287 0.039 0.000 0.868 480 K CB 1.190 33.711 32.500 0.035 0.000 1.093 480 K HN 0.587 nan 8.250 nan 0.000 0.454 481 K N 4.677 125.105 120.400 0.047 0.000 2.262 481 K HA 0.013 4.340 4.320 0.011 0.000 0.288 481 K C 0.507 177.141 176.600 0.056 0.000 1.090 481 K CA -0.204 56.106 56.287 0.038 0.000 0.918 481 K CB 0.688 33.215 32.500 0.046 0.000 1.139 481 K HN 0.597 nan 8.250 nan 0.000 0.462 482 E N 3.108 123.346 120.200 0.063 0.000 2.028 482 E HA -0.104 4.253 4.350 0.011 0.000 0.191 482 E C 0.294 177.058 176.600 0.273 0.000 0.988 482 E CA 1.253 57.755 56.400 0.170 0.000 0.799 482 E CB -0.144 29.715 29.700 0.265 0.000 0.755 482 E HN 0.571 nan 8.360 nan 0.000 0.447 483 F N -2.485 117.493 119.950 0.046 0.000 2.842 483 F HA 0.423 4.956 4.527 0.011 0.000 0.319 483 F C -0.817 174.999 175.800 0.026 0.000 1.159 483 F CA -1.260 56.743 58.000 0.005 0.000 0.902 483 F CB 1.260 40.220 39.000 -0.067 0.000 1.311 483 F HN -0.248 nan 8.300 nan 0.000 0.453 484 T N 0.769 115.423 114.554 0.167 0.000 2.841 484 T HA 0.636 4.992 4.350 0.011 0.000 0.283 484 T C -1.052 173.725 174.700 0.129 0.000 1.000 484 T CA -0.731 61.414 62.100 0.076 0.000 0.977 484 T CB 1.330 70.251 68.868 0.088 0.000 0.979 484 T HN 0.861 nan 8.240 nan 0.000 0.446 485 L N 3.917 125.164 121.223 0.040 0.000 2.422 485 L HA 0.295 4.642 4.340 0.011 0.000 0.256 485 L C 0.301 177.294 176.870 0.206 0.000 1.202 485 L CA -0.851 53.955 54.840 -0.057 0.000 1.119 485 L CB -0.496 41.401 42.059 -0.270 0.000 1.383 485 L HN 0.782 nan 8.230 nan 0.000 0.411 486 E N 0.787 121.138 120.200 0.253 0.000 2.864 486 E HA -0.224 4.132 4.350 0.011 0.000 0.285 486 E C -0.180 176.604 176.600 0.306 0.000 0.965 486 E CA 0.558 57.117 56.400 0.265 0.000 0.985 486 E CB 0.186 30.024 29.700 0.231 0.000 1.000 486 E HN 0.290 nan 8.360 nan 0.000 0.475 487 F N 1.890 121.926 119.950 0.142 0.000 2.572 487 F HA 0.127 4.660 4.527 0.011 0.000 0.370 487 F C 0.215 176.080 175.800 0.109 0.000 1.103 487 F CA 0.321 58.394 58.000 0.122 0.000 1.286 487 F CB 0.504 39.556 39.000 0.087 0.000 1.105 487 F HN 0.381 nan 8.300 nan 0.000 0.583 488 S N 5.703 120.952 115.700 -0.751 0.000 2.619 488 S HA 0.389 4.865 4.470 0.011 0.000 0.280 488 S C -0.001 174.169 174.600 -0.718 0.000 1.150 488 S CA -1.100 56.715 58.200 -0.641 0.000 0.978 488 S CB 1.792 64.836 63.200 -0.260 0.000 1.041 488 S HN 0.865 nan 8.310 nan 0.000 0.485 489 R N 1.708 121.837 120.500 -0.617 0.000 2.377 489 R HA -0.048 4.298 4.340 0.011 0.000 0.207 489 R C 1.301 177.526 176.300 -0.125 0.000 1.075 489 R CA 1.513 57.435 56.100 -0.296 0.000 1.035 489 R CB -0.349 29.867 30.300 -0.140 0.000 0.857 489 R HN 0.865 nan 8.270 nan 0.000 0.475 490 D N 0.045 120.361 120.400 -0.139 0.000 2.201 490 D HA -0.147 4.500 4.640 0.011 0.000 0.209 490 D C 1.783 178.068 176.300 -0.026 0.000 0.961 490 D CA 0.406 54.363 54.000 -0.072 0.000 0.861 490 D CB -0.212 40.532 40.800 -0.094 0.000 0.997 490 D HN 0.104 nan 8.370 nan 0.000 0.486 491 R N 0.576 121.056 120.500 -0.033 0.000 2.073 491 R HA -0.046 4.300 4.340 0.011 0.000 0.229 491 R C 0.361 176.722 176.300 0.101 0.000 1.120 491 R CA 0.744 56.866 56.100 0.037 0.000 0.967 491 R CB 0.128 30.463 30.300 0.058 0.000 0.862 491 R HN -0.060 nan 8.270 nan 0.000 0.436 492 K N -0.000 120.475 120.400 0.125 0.000 3.291 492 K HA -0.131 4.196 4.320 0.011 0.000 0.290 492 K C -0.780 176.075 176.600 0.426 0.000 1.235 492 K CA 1.093 57.564 56.287 0.306 0.000 0.848 492 K CB -1.890 30.732 32.500 0.203 0.000 1.295 492 K HN 0.511 nan 8.250 nan 0.000 0.497 493 S N -1.510 114.468 115.700 0.464 0.000 2.672 493 S HA 0.814 5.291 4.470 0.011 0.000 0.271 493 S C -0.633 174.262 174.600 0.493 0.000 1.171 493 S CA -0.960 57.481 58.200 0.401 0.000 0.817 493 S CB 3.117 66.456 63.200 0.233 0.000 1.150 493 S HN 0.249 nan 8.310 nan 0.000 0.478 494 M N 1.053 120.847 119.600 0.323 0.000 2.575 494 M HA 0.735 5.222 4.480 0.011 0.000 0.284 494 M C -1.518 174.893 176.300 0.184 0.000 1.253 494 M CA -0.256 55.217 55.300 0.288 0.000 0.861 494 M CB 2.064 34.819 32.600 0.259 0.000 1.733 494 M HN 0.962 nan 8.290 nan 0.000 0.462 495 S N 1.370 117.162 115.700 0.152 0.000 2.618 495 S HA 0.908 5.385 4.470 0.011 0.000 0.277 495 S C -2.077 172.546 174.600 0.038 0.000 1.138 495 S CA -0.538 57.717 58.200 0.092 0.000 0.844 495 S CB 2.284 65.535 63.200 0.085 0.000 1.127 495 S HN 0.620 nan 8.310 nan 0.000 0.474 496 V N 2.656 122.559 119.914 -0.018 0.000 2.851 496 V HA 0.442 4.569 4.120 0.011 0.000 0.307 496 V C -1.832 174.119 176.094 -0.239 0.000 1.129 496 V CA -0.642 61.606 62.300 -0.086 0.000 0.932 496 V CB 2.004 33.846 31.823 0.032 0.000 1.024 496 V HN 0.896 nan 8.190 nan 0.000 0.426 497 Y N 4.279 124.215 120.300 -0.606 0.000 2.335 497 Y HA 0.663 5.220 4.550 0.011 0.000 0.339 497 Y C -0.077 175.540 175.900 -0.473 0.000 0.987 497 Y CA -0.302 57.367 58.100 -0.719 0.000 1.140 497 Y CB 1.189 38.796 38.460 -1.422 0.000 1.173 497 Y HN 0.707 nan 8.280 nan 0.000 0.486 498 C N 3.589 122.559 119.300 -0.550 0.000 2.707 498 C HA 0.783 5.250 4.460 0.011 0.000 0.313 498 C C -0.635 174.191 174.990 -0.273 0.000 1.209 498 C CA -0.875 57.978 59.018 -0.276 0.000 1.635 498 C CB 1.248 28.897 27.740 -0.150 0.000 2.206 498 C HN 0.888 nan 8.230 nan 0.000 0.485 499 S N 1.873 117.524 115.700 -0.082 0.000 2.536 499 S HA 0.736 5.212 4.470 0.011 0.000 0.298 499 S C -3.095 171.493 174.600 -0.019 0.000 1.083 499 S CA -1.220 56.951 58.200 -0.049 0.000 0.995 499 S CB 1.625 64.840 63.200 0.025 0.000 1.058 499 S HN 0.633 nan 8.310 nan 0.000 0.488 500 P HA 0.217 nan 4.420 nan 0.000 0.268 500 P C 0.541 177.841 177.300 -0.001 0.000 1.204 500 P CA -0.207 62.891 63.100 -0.004 0.000 0.768 500 P CB 0.995 32.689 31.700 -0.010 0.000 0.842 501 A N 5.285 128.104 122.820 -0.002 0.000 1.826 501 A HA -0.057 4.270 4.320 0.011 0.000 0.214 501 A C 1.280 178.858 177.584 -0.010 0.000 1.212 501 A CA 1.308 53.342 52.037 -0.005 0.000 0.605 501 A CB -0.623 18.370 19.000 -0.010 0.000 0.861 501 A HN 0.523 nan 8.150 nan 0.000 0.447 502 K N -1.105 119.283 120.400 -0.019 0.000 2.842 502 K HA 0.443 4.769 4.320 0.011 0.000 0.310 502 K C 0.419 177.008 176.600 -0.018 0.000 0.992 502 K CA 0.159 56.434 56.287 -0.021 0.000 1.207 502 K CB 0.196 32.677 32.500 -0.031 0.000 1.478 502 K HN 0.149 nan 8.250 nan 0.000 0.601 503 S N 0.420 116.108 115.700 -0.019 0.000 2.574 503 S HA 0.015 4.491 4.470 0.011 0.000 0.242 503 S C 1.143 175.732 174.600 -0.018 0.000 0.982 503 S CA -0.230 57.961 58.200 -0.016 0.000 0.977 503 S CB 0.052 63.244 63.200 -0.013 0.000 0.814 503 S HN 0.559 nan 8.310 nan 0.000 0.464 504 S N 2.092 117.778 115.700 -0.024 0.000 2.388 504 S HA 0.128 4.605 4.470 0.011 0.000 0.223 504 S C 1.506 176.096 174.600 -0.017 0.000 1.034 504 S CA 0.111 58.295 58.200 -0.027 0.000 0.963 504 S CB -0.085 63.088 63.200 -0.045 0.000 0.827 504 S HN 0.404 nan 8.310 nan 0.000 0.481 505 R N 0.289 120.780 120.500 -0.014 0.000 2.476 505 R HA 0.478 4.825 4.340 0.011 0.000 0.276 505 R C 2.074 178.370 176.300 -0.007 0.000 0.941 505 R CA 0.475 56.573 56.100 -0.003 0.000 1.088 505 R CB 0.022 30.327 30.300 0.008 0.000 1.216 505 R HN 0.441 nan 8.270 nan 0.000 0.533 506 A N 1.627 124.440 122.820 -0.010 0.000 1.986 506 A HA -0.142 4.185 4.320 0.011 0.000 0.220 506 A C 1.919 179.496 177.584 -0.012 0.000 1.171 506 A CA 1.863 53.893 52.037 -0.011 0.000 0.640 506 A CB -0.331 18.663 19.000 -0.010 0.000 0.811 506 A HN 0.310 nan 8.150 nan 0.000 0.451 507 A N -0.674 122.140 122.820 -0.010 0.000 2.426 507 A HA 0.434 4.760 4.320 0.011 0.000 0.247 507 A C 0.988 178.565 177.584 -0.012 0.000 1.389 507 A CA 0.828 52.859 52.037 -0.010 0.000 1.129 507 A CB -0.508 18.487 19.000 -0.008 0.000 0.928 507 A HN 0.495 nan 8.150 nan 0.000 0.557 508 V N -2.057 117.846 119.914 -0.017 0.000 3.245 508 V HA 0.479 4.606 4.120 0.011 0.000 0.246 508 V C 1.100 177.172 176.094 -0.037 0.000 1.487 508 V CA 0.444 62.730 62.300 -0.023 0.000 1.154 508 V CB -0.571 31.242 31.823 -0.018 0.000 0.971 508 V HN 1.278 nan 8.190 nan 0.000 0.443 509 G N 1.320 110.096 108.800 -0.040 0.000 2.566 509 G HA2 -0.146 3.821 3.960 0.011 0.000 0.599 509 G HA3 -0.146 3.821 3.960 0.011 0.000 0.599 509 G C -0.903 173.937 174.900 -0.100 0.000 1.292 509 G CA -0.372 44.695 45.100 -0.054 0.000 0.922 509 G HN 0.234 nan 8.290 nan 0.000 0.514 510 N N 0.829 119.448 118.700 -0.135 0.000 2.467 510 N HA 0.547 5.294 4.740 0.011 0.000 0.262 510 N C 0.089 175.355 175.510 -0.406 0.000 1.234 510 N CA 0.097 52.980 53.050 -0.278 0.000 0.952 510 N CB 0.941 39.238 38.487 -0.317 0.000 1.158 510 N HN 0.539 nan 8.380 nan 0.000 0.463 511 K N 0.932 120.967 120.400 -0.609 0.000 2.444 511 K HA 0.494 4.821 4.320 0.011 0.000 0.252 511 K C -0.610 175.398 176.600 -0.987 0.000 0.993 511 K CA -0.509 55.353 56.287 -0.708 0.000 0.847 511 K CB 2.112 34.189 32.500 -0.704 0.000 1.340 511 K HN 0.474 nan 8.250 nan 0.000 0.446 512 M N 1.802 120.904 119.600 -0.830 0.000 2.197 512 M HA 0.392 4.879 4.480 0.011 0.000 0.301 512 M C -1.426 174.550 176.300 -0.540 0.000 0.987 512 M CA -0.687 54.227 55.300 -0.643 0.000 0.921 512 M CB 1.036 33.449 32.600 -0.311 0.000 1.569 512 M HN 0.325 nan 8.290 nan 0.000 0.431 513 F N 3.695 123.581 119.950 -0.106 0.000 2.385 513 F HA 0.547 5.081 4.527 0.011 0.000 0.360 513 F C -0.070 175.709 175.800 -0.036 0.000 1.122 513 F CA -0.923 57.035 58.000 -0.069 0.000 1.090 513 F CB 0.728 39.684 39.000 -0.074 0.000 1.150 513 F HN 0.123 nan 8.300 nan 0.000 0.472 514 V N 3.249 123.257 119.914 0.155 0.000 2.732 514 V HA 0.748 4.875 4.120 0.011 0.000 0.310 514 V C -0.547 175.597 176.094 0.083 0.000 1.053 514 V CA -1.179 61.188 62.300 0.111 0.000 0.957 514 V CB 2.039 33.923 31.823 0.102 0.000 1.018 514 V HN 0.753 nan 8.190 nan 0.000 0.452 515 K N 1.379 121.826 120.400 0.077 0.000 2.569 515 K HA 0.827 5.154 4.320 0.011 0.000 0.259 515 K C -0.576 176.061 176.600 0.062 0.000 0.932 515 K CA -0.404 55.908 56.287 0.043 0.000 0.833 515 K CB 2.105 34.608 32.500 0.006 0.000 1.340 515 K HN 1.100 nan 8.250 nan 0.000 0.429 516 G N 0.719 109.554 108.800 0.059 0.000 2.428 516 G HA2 0.560 4.527 3.960 0.011 0.000 0.305 516 G HA3 0.560 4.527 3.960 0.011 0.000 0.305 516 G C -1.509 173.436 174.900 0.076 0.000 1.260 516 G CA -0.547 44.601 45.100 0.081 0.000 0.853 516 G HN 0.784 nan 8.290 nan 0.000 0.480 517 A N 0.698 123.583 122.820 0.108 0.000 2.492 517 A HA 0.598 4.924 4.320 0.011 0.000 0.254 517 A C -0.798 176.843 177.584 0.095 0.000 1.091 517 A CA -0.302 51.794 52.037 0.098 0.000 0.768 517 A CB 0.188 19.260 19.000 0.119 0.000 1.028 517 A HN 0.300 nan 8.150 nan 0.000 0.498 518 P HA -0.260 nan 4.420 nan 0.000 0.219 518 P C 1.041 178.384 177.300 0.073 0.000 1.161 518 P CA 2.080 65.233 63.100 0.087 0.000 0.909 518 P CB 0.164 31.908 31.700 0.075 0.000 0.793 519 E N -0.984 119.254 120.200 0.063 0.000 2.049 519 E HA -0.174 4.183 4.350 0.011 0.000 0.198 519 E C 2.331 178.966 176.600 0.058 0.000 1.007 519 E CA 1.783 58.214 56.400 0.051 0.000 0.809 519 E CB -1.406 28.326 29.700 0.054 0.000 0.749 519 E HN 0.272 nan 8.360 nan 0.000 0.450 520 G N 0.396 109.242 108.800 0.077 0.000 2.421 520 G HA2 -0.238 3.728 3.960 0.011 0.000 0.216 520 G HA3 -0.238 3.728 3.960 0.011 0.000 0.216 520 G C 1.763 176.715 174.900 0.085 0.000 1.171 520 G CA 1.066 46.215 45.100 0.081 0.000 0.775 520 G HN 0.173 nan 8.290 nan 0.000 0.543 521 V N 1.264 121.239 119.914 0.102 0.000 2.270 521 V HA -0.123 4.004 4.120 0.011 0.000 0.245 521 V C 2.780 178.946 176.094 0.119 0.000 1.043 521 V CA 1.512 63.882 62.300 0.117 0.000 1.014 521 V CB -0.500 31.404 31.823 0.135 0.000 0.645 521 V HN 0.371 nan 8.190 nan 0.000 0.447 522 I N 0.483 121.120 120.570 0.111 0.000 2.315 522 I HA -0.278 3.899 4.170 0.011 0.000 0.251 522 I C 2.113 178.246 176.117 0.028 0.000 1.125 522 I CA 1.551 62.890 61.300 0.065 0.000 1.392 522 I CB -0.453 37.533 38.000 -0.023 0.000 1.065 522 I HN 0.352 nan 8.210 nan 0.000 0.424 523 D N 0.725 121.144 120.400 0.031 0.000 2.183 523 D HA -0.071 4.576 4.640 0.011 0.000 0.203 523 D C 1.559 177.871 176.300 0.020 0.000 0.969 523 D CA 0.934 54.944 54.000 0.016 0.000 0.842 523 D CB -0.085 40.727 40.800 0.021 0.000 0.957 523 D HN 0.335 nan 8.370 nan 0.000 0.484 524 R N -0.228 120.298 120.500 0.044 0.000 2.752 524 R HA 0.254 4.601 4.340 0.011 0.000 0.279 524 R C -0.417 175.911 176.300 0.048 0.000 1.212 524 R CA -0.140 55.987 56.100 0.045 0.000 1.169 524 R CB -0.139 30.200 30.300 0.065 0.000 1.286 524 R HN 0.008 nan 8.270 nan 0.000 0.564 525 C N 0.931 120.252 119.300 0.035 0.000 2.301 525 C HA 0.316 4.783 4.460 0.011 0.000 0.323 525 C C 0.924 175.875 174.990 -0.065 0.000 1.265 525 C CA -0.877 58.166 59.018 0.041 0.000 1.503 525 C CB 0.960 28.777 27.740 0.128 0.000 2.195 525 C HN 0.521 nan 8.230 nan 0.000 0.477 526 N N 0.833 119.408 118.700 -0.208 0.000 2.282 526 N HA 0.134 4.881 4.740 0.011 0.000 0.185 526 N C -0.863 174.244 175.510 -0.673 0.000 1.099 526 N CA 0.594 53.354 53.050 -0.483 0.000 0.878 526 N CB 0.360 38.433 38.487 -0.691 0.000 0.993 526 N HN 0.692 nan 8.380 nan 0.000 0.481 527 Y N -0.505 119.839 120.300 0.075 0.000 2.524 527 Y HA 0.476 5.033 4.550 0.011 0.000 0.347 527 Y C -0.099 175.878 175.900 0.127 0.000 1.005 527 Y CA -1.592 56.557 58.100 0.080 0.000 1.025 527 Y CB 1.465 39.965 38.460 0.067 0.000 1.275 527 Y HN -0.316 nan 8.280 nan 0.000 0.460 528 V N 0.055 120.142 119.914 0.288 0.000 2.495 528 V HA 0.683 4.810 4.120 0.011 0.000 0.298 528 V C -0.331 175.903 176.094 0.233 0.000 1.031 528 V CA -1.245 61.232 62.300 0.295 0.000 0.871 528 V CB 1.545 33.510 31.823 0.237 0.000 0.988 528 V HN 0.818 nan 8.190 nan 0.000 0.432 529 R N 3.034 123.655 120.500 0.202 0.000 2.441 529 R HA 0.687 5.034 4.340 0.011 0.000 0.284 529 R C -1.194 175.181 176.300 0.126 0.000 1.070 529 R CA -0.279 55.895 56.100 0.124 0.000 1.047 529 R CB 1.485 31.825 30.300 0.066 0.000 1.016 529 R HN 0.711 nan 8.270 nan 0.000 0.477 530 V N 5.772 125.747 119.914 0.102 0.000 2.380 530 V HA 0.425 4.552 4.120 0.011 0.000 0.286 530 V C 0.991 177.139 176.094 0.091 0.000 1.015 530 V CA 0.166 62.529 62.300 0.104 0.000 0.834 530 V CB 0.543 32.423 31.823 0.095 0.000 1.009 530 V HN 1.153 nan 8.190 nan 0.000 0.428 531 G N 5.354 114.216 108.800 0.104 0.000 2.846 531 G HA2 -0.373 3.594 3.960 0.011 0.000 0.317 531 G HA3 -0.373 3.594 3.960 0.011 0.000 0.317 531 G C 0.933 175.873 174.900 0.066 0.000 1.210 531 G CA 1.445 46.602 45.100 0.095 0.000 0.972 531 G HN 1.429 nan 8.290 nan 0.000 0.567 532 T N -1.544 113.041 114.554 0.052 0.000 3.058 532 T HA 0.489 4.846 4.350 0.011 0.000 0.278 532 T C 1.096 175.813 174.700 0.029 0.000 0.974 532 T CA 1.423 63.545 62.100 0.037 0.000 0.893 532 T CB 0.124 69.011 68.868 0.032 0.000 1.138 532 T HN 1.648 nan 8.240 nan 0.000 0.529 533 T N 0.224 114.800 114.554 0.036 0.000 2.810 533 T HA 0.591 4.948 4.350 0.011 0.000 0.277 533 T C -0.209 174.509 174.700 0.029 0.000 0.973 533 T CA -0.909 61.207 62.100 0.026 0.000 0.949 533 T CB 1.677 70.566 68.868 0.035 0.000 1.075 533 T HN 0.416 nan 8.240 nan 0.000 0.537 534 R N -0.040 120.468 120.500 0.014 0.000 2.604 534 R HA 0.615 4.961 4.340 0.011 0.000 0.281 534 R C -1.669 174.660 176.300 0.048 0.000 1.020 534 R CA -0.802 55.309 56.100 0.019 0.000 0.899 534 R CB 2.109 32.358 30.300 -0.085 0.000 1.205 534 R HN 0.833 nan 8.270 nan 0.000 0.450 535 V N 0.530 120.520 119.914 0.127 0.000 3.049 535 V HA 0.710 4.836 4.120 0.011 0.000 0.309 535 V C -2.784 173.462 176.094 0.254 0.000 1.148 535 V CA -2.361 60.030 62.300 0.152 0.000 0.990 535 V CB 2.112 33.998 31.823 0.105 0.000 1.039 535 V HN 0.694 nan 8.190 nan 0.000 0.430 536 P HA 0.192 nan 4.420 nan 0.000 0.271 536 P C -0.395 176.950 177.300 0.075 0.000 1.216 536 P CA -0.210 63.004 63.100 0.190 0.000 0.776 536 P CB 0.757 32.535 31.700 0.130 0.000 0.881 537 M N 3.797 123.400 119.600 0.005 0.000 2.252 537 M HA 0.164 4.650 4.480 0.011 0.000 0.348 537 M C 0.038 176.319 176.300 -0.031 0.000 1.334 537 M CA 0.960 56.249 55.300 -0.018 0.000 1.071 537 M CB -0.335 32.233 32.600 -0.054 0.000 1.763 537 M HN 0.509 nan 8.290 nan 0.000 0.452 538 T N 1.561 116.095 114.554 -0.033 0.000 2.910 538 T HA 0.728 5.085 4.350 0.011 0.000 0.287 538 T C 0.940 175.609 174.700 -0.050 0.000 1.050 538 T CA -0.541 61.539 62.100 -0.033 0.000 1.011 538 T CB 1.149 70.005 68.868 -0.019 0.000 1.195 538 T HN 0.677 nan 8.240 nan 0.000 0.540 539 G N 0.825 109.600 108.800 -0.043 0.000 2.480 539 G HA2 -0.059 3.908 3.960 0.011 0.000 0.216 539 G HA3 -0.059 3.908 3.960 0.011 0.000 0.216 539 G C -0.936 173.925 174.900 -0.064 0.000 1.200 539 G CA 0.936 46.007 45.100 -0.049 0.000 0.782 539 G HN 0.649 nan 8.290 nan 0.000 0.554 540 P HA -0.096 nan 4.420 nan 0.000 0.216 540 P C 2.180 179.413 177.300 -0.112 0.000 1.157 540 P CA 1.388 64.443 63.100 -0.075 0.000 0.880 540 P CB -0.155 31.512 31.700 -0.056 0.000 0.791 541 V N 0.154 120.003 119.914 -0.108 0.000 2.295 541 V HA -0.252 3.875 4.120 0.011 0.000 0.246 541 V C 2.465 178.457 176.094 -0.169 0.000 1.049 541 V CA 1.822 64.041 62.300 -0.135 0.000 1.024 541 V CB -1.078 30.686 31.823 -0.098 0.000 0.648 541 V HN 0.140 nan 8.190 nan 0.000 0.447 542 K N 0.086 120.398 120.400 -0.147 0.000 2.063 542 K HA -0.293 4.033 4.320 0.011 0.000 0.208 542 K C 2.195 178.703 176.600 -0.153 0.000 1.048 542 K CA 2.058 58.247 56.287 -0.164 0.000 0.928 542 K CB -0.091 32.339 32.500 -0.116 0.000 0.713 542 K HN 0.487 nan 8.250 nan 0.000 0.442 543 E N 1.160 121.284 120.200 -0.127 0.000 2.038 543 E HA -0.214 4.142 4.350 0.011 0.000 0.195 543 E C 1.927 178.435 176.600 -0.153 0.000 1.000 543 E CA 1.593 57.922 56.400 -0.119 0.000 0.803 543 E CB -0.024 29.617 29.700 -0.098 0.000 0.750 543 E HN 0.038 nan 8.360 nan 0.000 0.448 544 K N 0.377 120.668 120.400 -0.182 0.000 2.002 544 K HA -0.101 4.226 4.320 0.011 0.000 0.209 544 K C 2.142 178.578 176.600 -0.274 0.000 1.048 544 K CA 1.322 57.468 56.287 -0.235 0.000 0.930 544 K CB -0.608 31.736 32.500 -0.261 0.000 0.714 544 K HN 0.235 nan 8.250 nan 0.000 0.438 545 I N 1.756 122.183 120.570 -0.238 0.000 2.074 545 I HA -0.359 3.818 4.170 0.011 0.000 0.238 545 I C 2.516 178.561 176.117 -0.120 0.000 1.037 545 I CA 1.594 62.799 61.300 -0.158 0.000 1.301 545 I CB -1.425 36.378 38.000 -0.328 0.000 1.016 545 I HN 0.144 nan 8.210 nan 0.000 0.400 546 L N 0.830 121.969 121.223 -0.139 0.000 2.046 546 L HA -0.207 4.140 4.340 0.011 0.000 0.208 546 L C 2.876 179.670 176.870 -0.127 0.000 1.077 546 L CA 1.756 56.533 54.840 -0.105 0.000 0.747 546 L CB -0.789 41.217 42.059 -0.088 0.000 0.896 546 L HN 0.375 nan 8.230 nan 0.000 0.432 547 S N -0.392 115.213 115.700 -0.159 0.000 2.370 547 S HA -0.155 4.322 4.470 0.011 0.000 0.226 547 S C 1.884 176.350 174.600 -0.223 0.000 1.033 547 S CA 1.396 59.499 58.200 -0.161 0.000 1.011 547 S CB -0.965 62.139 63.200 -0.160 0.000 0.852 547 S HN 0.209 nan 8.310 nan 0.000 0.457 548 V N 2.266 121.965 119.914 -0.358 0.000 2.548 548 V HA -0.062 4.064 4.120 0.011 0.000 0.249 548 V C 2.451 178.211 176.094 -0.556 0.000 1.055 548 V CA 0.999 62.955 62.300 -0.573 0.000 1.065 548 V CB -0.832 30.400 31.823 -0.986 0.000 0.681 548 V HN 0.437 nan 8.190 nan 0.000 0.462 549 I N 0.601 121.001 120.570 -0.283 0.000 2.179 549 I HA -0.238 3.938 4.170 0.011 0.000 0.242 549 I C 2.441 178.536 176.117 -0.036 0.000 1.088 549 I CA 1.832 63.068 61.300 -0.107 0.000 1.357 549 I CB -1.132 36.865 38.000 -0.004 0.000 1.051 549 I HN 0.382 nan 8.210 nan 0.000 0.409 550 K N 1.186 121.551 120.400 -0.058 0.000 2.009 550 K HA -0.252 4.075 4.320 0.011 0.000 0.210 550 K C 2.152 178.761 176.600 0.015 0.000 1.049 550 K CA 1.851 58.128 56.287 -0.016 0.000 0.929 550 K CB -0.154 32.324 32.500 -0.037 0.000 0.714 550 K HN 0.272 nan 8.250 nan 0.000 0.440 551 E N -0.280 119.905 120.200 -0.026 0.000 2.048 551 E HA -0.234 4.122 4.350 0.011 0.000 0.202 551 E C 1.762 178.494 176.600 0.219 0.000 1.021 551 E CA 1.857 58.288 56.400 0.052 0.000 0.825 551 E CB -0.200 29.502 29.700 0.003 0.000 0.756 551 E HN 0.455 nan 8.360 nan 0.000 0.454 552 W N 0.289 121.607 121.300 0.030 0.000 2.342 552 W HA -0.023 4.644 4.660 0.011 0.000 0.297 552 W C 2.356 178.895 176.519 0.033 0.000 1.213 552 W CA 1.041 58.410 57.345 0.041 0.000 1.251 552 W CB -1.411 28.095 29.460 0.076 0.000 1.136 552 W HN 0.279 nan 8.180 nan 0.000 0.526 553 G N 0.138 109.093 108.800 0.258 0.000 2.484 553 G HA2 -0.266 3.701 3.960 0.011 0.000 0.215 553 G HA3 -0.266 3.701 3.960 0.011 0.000 0.215 553 G C 1.355 176.320 174.900 0.108 0.000 1.219 553 G CA 2.384 47.578 45.100 0.156 0.000 0.791 553 G HN 0.278 nan 8.290 nan 0.000 0.550 554 T N -0.621 113.984 114.554 0.086 0.000 3.169 554 T HA 0.433 4.789 4.350 0.011 0.000 0.250 554 T C 1.299 176.036 174.700 0.061 0.000 1.111 554 T CA 0.467 62.602 62.100 0.059 0.000 1.010 554 T CB 0.040 68.930 68.868 0.036 0.000 0.984 554 T HN 0.374 nan 8.240 nan 0.000 0.537 555 G N 0.984 109.838 108.800 0.089 0.000 2.631 555 G HA2 0.224 4.191 3.960 0.011 0.000 0.271 555 G HA3 0.224 4.191 3.960 0.011 0.000 0.271 555 G C 0.838 175.766 174.900 0.046 0.000 1.302 555 G CA -0.877 44.270 45.100 0.079 0.000 1.002 555 G HN 0.335 nan 8.290 nan 0.000 0.519 556 R N -0.880 119.638 120.500 0.030 0.000 2.152 556 R HA -0.063 4.283 4.340 0.011 0.000 0.232 556 R C 1.055 177.357 176.300 0.004 0.000 1.117 556 R CA 1.332 57.440 56.100 0.013 0.000 0.981 556 R CB 0.067 30.370 30.300 0.004 0.000 0.870 556 R HN 0.412 nan 8.270 nan 0.000 0.451 557 D N -0.107 120.293 120.400 0.001 0.000 2.339 557 D HA -0.024 4.622 4.640 0.011 0.000 0.217 557 D C -0.012 176.290 176.300 0.002 0.000 1.050 557 D CA 0.703 54.694 54.000 -0.014 0.000 0.856 557 D CB 0.216 40.987 40.800 -0.048 0.000 0.922 557 D HN 0.199 nan 8.370 nan 0.000 0.518 558 T N -0.629 113.942 114.554 0.028 0.000 3.361 558 T HA -0.262 4.095 4.350 0.011 0.000 0.417 558 T C 0.391 175.117 174.700 0.044 0.000 0.769 558 T CA 0.116 62.241 62.100 0.041 0.000 2.085 558 T CB -2.437 66.447 68.868 0.026 0.000 1.689 558 T HN 0.226 nan 8.240 nan 0.000 0.639 559 L N 0.556 121.820 121.223 0.068 0.000 2.380 559 L HA 0.344 4.690 4.340 0.011 0.000 0.273 559 L C 1.306 178.236 176.870 0.099 0.000 1.138 559 L CA -0.630 54.252 54.840 0.069 0.000 0.832 559 L CB 0.666 42.768 42.059 0.073 0.000 1.124 559 L HN 0.462 nan 8.230 nan 0.000 0.454 560 R N 2.835 123.377 120.500 0.069 0.000 2.210 560 R HA 0.326 4.673 4.340 0.011 0.000 0.338 560 R C -1.117 175.237 176.300 0.090 0.000 1.062 560 R CA -0.474 55.667 56.100 0.069 0.000 0.902 560 R CB 0.467 30.791 30.300 0.041 0.000 1.050 560 R HN 0.656 nan 8.270 nan 0.000 0.461 561 C N 4.610 123.979 119.300 0.116 0.000 2.365 561 C HA 0.617 5.084 4.460 0.011 0.000 0.349 561 C C -0.688 174.352 174.990 0.084 0.000 1.191 561 C CA -0.806 58.294 59.018 0.137 0.000 2.114 561 C CB 0.987 28.840 27.740 0.188 0.000 2.367 561 C HN 0.708 nan 8.230 nan 0.000 0.530 562 L N 2.007 123.271 121.223 0.068 0.000 2.464 562 L HA 0.713 5.060 4.340 0.011 0.000 0.266 562 L C 0.029 176.912 176.870 0.022 0.000 0.965 562 L CA -0.069 54.790 54.840 0.032 0.000 0.833 562 L CB 1.472 43.531 42.059 -0.000 0.000 1.296 562 L HN 0.887 nan 8.230 nan 0.000 0.405 563 A N 4.197 127.042 122.820 0.040 0.000 2.279 563 A HA 0.886 5.212 4.320 0.011 0.000 0.303 563 A C -1.330 176.243 177.584 -0.018 0.000 1.108 563 A CA -0.346 51.720 52.037 0.048 0.000 0.830 563 A CB 0.719 19.814 19.000 0.158 0.000 1.106 563 A HN 0.566 nan 8.150 nan 0.000 0.493 564 L N 0.454 121.604 121.223 -0.121 0.000 2.410 564 L HA 0.795 5.142 4.340 0.011 0.000 0.270 564 L C 0.185 176.939 176.870 -0.194 0.000 0.983 564 L CA 0.182 54.937 54.840 -0.142 0.000 0.822 564 L CB 1.887 43.834 42.059 -0.187 0.000 1.285 564 L HN 0.995 nan 8.230 nan 0.000 0.409 565 A N 0.904 123.689 122.820 -0.058 0.000 2.588 565 A HA 0.978 5.305 4.320 0.011 0.000 0.290 565 A C -0.842 176.789 177.584 0.079 0.000 1.136 565 A CA -0.178 51.846 52.037 -0.021 0.000 0.681 565 A CB 2.008 21.037 19.000 0.048 0.000 1.282 565 A HN 0.646 nan 8.150 nan 0.000 0.421 566 T N -1.086 113.523 114.554 0.091 0.000 2.909 566 T HA 0.695 5.051 4.350 0.011 0.000 0.299 566 T C -0.938 173.788 174.700 0.043 0.000 1.073 566 T CA -0.778 61.383 62.100 0.102 0.000 0.999 566 T CB 1.694 70.668 68.868 0.178 0.000 1.098 566 T HN 0.553 nan 8.240 nan 0.000 0.477 567 R N 1.859 122.334 120.500 -0.042 0.000 2.280 567 R HA 0.221 4.568 4.340 0.011 0.000 0.326 567 R C -0.045 176.208 176.300 -0.079 0.000 1.080 567 R CA -0.345 55.740 56.100 -0.025 0.000 1.002 567 R CB 0.590 30.865 30.300 -0.043 0.000 1.136 567 R HN 0.741 nan 8.270 nan 0.000 0.509 568 D N 0.787 121.172 120.400 -0.024 0.000 2.149 568 D HA -0.091 4.555 4.640 0.011 0.000 0.198 568 D C -0.049 176.207 176.300 -0.073 0.000 0.990 568 D CA 1.644 55.610 54.000 -0.057 0.000 0.839 568 D CB 0.467 41.238 40.800 -0.050 0.000 0.948 568 D HN 0.324 nan 8.370 nan 0.000 0.460 569 T N 2.971 117.503 114.554 -0.037 0.000 3.241 569 T HA 0.260 4.616 4.350 0.011 0.000 0.387 569 T C -2.422 172.273 174.700 -0.009 0.000 1.451 569 T CA -1.276 60.808 62.100 -0.027 0.000 1.363 569 T CB 2.338 71.209 68.868 0.005 0.000 1.074 569 T HN 0.010 nan 8.240 nan 0.000 0.598 570 P HA 0.340 nan 4.420 nan 0.000 0.272 570 P C -2.705 174.638 177.300 0.070 0.000 1.240 570 P CA -1.350 61.749 63.100 -0.002 0.000 0.791 570 P CB -0.015 31.616 31.700 -0.115 0.000 0.978 571 P HA 0.136 nan 4.420 nan 0.000 0.272 571 P C -0.263 177.087 177.300 0.085 0.000 1.240 571 P CA -0.058 63.085 63.100 0.072 0.000 0.791 571 P CB 0.263 31.979 31.700 0.028 0.000 0.978 572 K N 1.564 121.989 120.400 0.041 0.000 2.416 572 K HA 0.026 4.352 4.320 0.011 0.000 0.283 572 K C 1.406 177.990 176.600 -0.027 0.000 1.037 572 K CA 0.126 56.432 56.287 0.032 0.000 0.995 572 K CB 0.301 32.809 32.500 0.013 0.000 0.938 572 K HN 0.359 nan 8.250 nan 0.000 0.475 573 R N 2.362 122.844 120.500 -0.031 0.000 2.204 573 R HA -0.271 4.076 4.340 0.011 0.000 0.253 573 R C 0.791 176.966 176.300 -0.207 0.000 1.172 573 R CA 1.911 57.892 56.100 -0.199 0.000 0.994 573 R CB 0.184 30.375 30.300 -0.181 0.000 0.874 573 R HN 0.585 nan 8.270 nan 0.000 0.462 574 E N -0.073 120.052 120.200 -0.124 0.000 2.086 574 E HA -0.098 4.258 4.350 0.011 0.000 0.190 574 E C 1.341 177.879 176.600 -0.104 0.000 0.975 574 E CA 1.020 57.353 56.400 -0.112 0.000 0.813 574 E CB 0.028 29.689 29.700 -0.064 0.000 0.768 574 E HN 0.401 nan 8.360 nan 0.000 0.457 575 E N 0.156 120.309 120.200 -0.078 0.000 2.501 575 E HA -0.090 4.266 4.350 0.011 0.000 0.203 575 E C -0.100 176.452 176.600 -0.081 0.000 1.072 575 E CA 0.397 56.770 56.400 -0.045 0.000 0.885 575 E CB -0.181 29.515 29.700 -0.007 0.000 0.813 575 E HN 0.295 nan 8.360 nan 0.000 0.556 576 M N 1.278 120.749 119.600 -0.215 0.000 2.205 576 M HA 0.252 4.738 4.480 0.011 0.000 0.344 576 M C -0.848 175.365 176.300 -0.145 0.000 1.085 576 M CA -0.607 54.464 55.300 -0.381 0.000 1.001 576 M CB 2.177 34.335 32.600 -0.737 0.000 1.626 576 M HN -0.274 nan 8.290 nan 0.000 0.442 577 V N 5.366 125.361 119.914 0.135 0.000 2.334 577 V HA 0.249 4.375 4.120 0.011 0.000 0.281 577 V C 0.718 176.977 176.094 0.274 0.000 1.016 577 V CA -0.489 61.891 62.300 0.133 0.000 0.832 577 V CB 1.125 33.033 31.823 0.140 0.000 0.999 577 V HN 0.845 nan 8.190 nan 0.000 0.439 578 L N 3.089 124.406 121.223 0.156 0.000 2.660 578 L HA 0.044 4.390 4.340 0.011 0.000 0.238 578 L C 2.064 179.115 176.870 0.303 0.000 1.161 578 L CA 0.039 55.074 54.840 0.324 0.000 0.937 578 L CB -0.670 41.429 42.059 0.067 0.000 1.122 578 L HN 0.797 nan 8.230 nan 0.000 0.435 579 D N 0.925 121.435 120.400 0.185 0.000 2.103 579 D HA -0.230 4.416 4.640 0.011 0.000 0.190 579 D C 0.518 176.842 176.300 0.041 0.000 0.997 579 D CA 1.426 55.481 54.000 0.092 0.000 0.833 579 D CB 0.027 40.862 40.800 0.058 0.000 0.961 579 D HN 0.383 nan 8.370 nan 0.000 0.447 580 D N -1.657 118.724 120.400 -0.031 0.000 2.780 580 D HA 0.207 4.854 4.640 0.011 0.000 0.242 580 D C 0.761 176.672 176.300 -0.648 0.000 1.135 580 D CA -0.147 53.722 54.000 -0.218 0.000 0.859 580 D CB 2.129 42.834 40.800 -0.159 0.000 1.530 580 D HN -0.048 nan 8.370 nan 0.000 0.493 581 S N 1.495 116.657 115.700 -0.896 0.000 2.528 581 S HA -0.199 4.278 4.470 0.011 0.000 0.244 581 S C 1.666 175.734 174.600 -0.888 0.000 0.982 581 S CA 1.292 58.572 58.200 -1.535 0.000 0.953 581 S CB -0.554 62.219 63.200 -0.711 0.000 0.754 581 S HN 0.428 nan 8.310 nan 0.000 0.529 582 S N 1.269 116.660 115.700 -0.515 0.000 2.489 582 S HA 0.125 4.601 4.470 0.011 0.000 0.228 582 S C 1.797 176.249 174.600 -0.247 0.000 0.995 582 S CA -0.187 57.839 58.200 -0.291 0.000 0.934 582 S CB -0.333 62.752 63.200 -0.191 0.000 0.771 582 S HN 0.514 nan 8.310 nan 0.000 0.522 583 R N -0.051 120.280 120.500 -0.282 0.000 2.276 583 R HA 0.288 4.635 4.340 0.011 0.000 0.196 583 R C 1.493 177.608 176.300 -0.308 0.000 0.961 583 R CA 0.244 56.204 56.100 -0.234 0.000 1.024 583 R CB -0.392 29.843 30.300 -0.108 0.000 0.940 583 R HN 0.587 nan 8.270 nan 0.000 0.480 584 F N 0.620 120.407 119.950 -0.271 0.000 2.171 584 F HA -0.175 4.359 4.527 0.011 0.000 0.300 584 F C 2.603 178.343 175.800 -0.100 0.000 1.090 584 F CA 0.437 58.370 58.000 -0.113 0.000 1.293 584 F CB -0.267 38.778 39.000 0.074 0.000 1.013 584 F HN -0.003 nan 8.300 nan 0.000 0.486 585 M N 0.376 120.034 119.600 0.095 0.000 2.202 585 M HA -0.219 4.268 4.480 0.011 0.000 0.262 585 M C 2.120 178.435 176.300 0.025 0.000 1.063 585 M CA 1.617 56.957 55.300 0.067 0.000 1.097 585 M CB -0.176 32.440 32.600 0.026 0.000 1.382 585 M HN 0.009 nan 8.290 nan 0.000 0.413 586 E N -0.195 119.948 120.200 -0.094 0.000 2.106 586 E HA -0.168 4.189 4.350 0.011 0.000 0.192 586 E C 1.673 178.324 176.600 0.085 0.000 0.984 586 E CA 1.337 57.698 56.400 -0.065 0.000 0.806 586 E CB -0.340 29.263 29.700 -0.161 0.000 0.750 586 E HN 0.613 nan 8.360 nan 0.000 0.458 587 Y N 0.956 121.336 120.300 0.134 0.000 2.421 587 Y HA -0.034 4.523 4.550 0.011 0.000 0.292 587 Y C 0.927 176.884 175.900 0.096 0.000 1.136 587 Y CA 0.537 58.706 58.100 0.115 0.000 1.255 587 Y CB -0.269 38.261 38.460 0.118 0.000 0.991 587 Y HN 0.024 nan 8.280 nan 0.000 0.552 588 E N 0.238 120.577 120.200 0.232 0.000 2.280 588 E HA 0.187 4.544 4.350 0.011 0.000 0.279 588 E C -0.032 176.643 176.600 0.126 0.000 1.325 588 E CA -0.101 56.397 56.400 0.163 0.000 1.486 588 E CB 0.285 30.079 29.700 0.157 0.000 1.466 588 E HN -0.003 nan 8.360 nan 0.000 0.473 589 T N -0.181 114.447 114.554 0.123 0.000 2.865 589 T HA 0.182 4.538 4.350 0.011 0.000 0.294 589 T C -0.677 174.078 174.700 0.091 0.000 1.119 589 T CA -0.472 61.684 62.100 0.094 0.000 1.007 589 T CB 1.209 70.127 68.868 0.083 0.000 1.225 589 T HN 0.299 nan 8.240 nan 0.000 0.515 590 D N 0.770 121.207 120.400 0.063 0.000 2.723 590 D HA -0.137 4.510 4.640 0.011 0.000 0.236 590 D C -0.262 176.112 176.300 0.122 0.000 1.138 590 D CA 0.737 54.774 54.000 0.062 0.000 0.676 590 D CB -1.521 39.340 40.800 0.101 0.000 1.069 590 D HN 0.463 nan 8.370 nan 0.000 0.430 591 L N -0.717 120.568 121.223 0.103 0.000 2.468 591 L HA 0.487 4.833 4.340 0.011 0.000 0.254 591 L C 1.060 178.047 176.870 0.195 0.000 1.171 591 L CA -0.341 54.582 54.840 0.138 0.000 0.809 591 L CB 1.026 43.155 42.059 0.117 0.000 1.155 591 L HN -0.027 nan 8.230 nan 0.000 0.473 592 T N 0.828 115.504 114.554 0.203 0.000 2.791 592 T HA 0.292 4.649 4.350 0.011 0.000 0.288 592 T C -0.529 174.276 174.700 0.176 0.000 0.999 592 T CA -0.343 61.903 62.100 0.242 0.000 0.952 592 T CB 0.669 69.665 68.868 0.214 0.000 0.938 592 T HN 0.258 nan 8.240 nan 0.000 0.444 593 F N 4.152 124.157 119.950 0.090 0.000 2.578 593 F HA 0.236 4.770 4.527 0.011 0.000 0.376 593 F C 0.785 176.614 175.800 0.048 0.000 1.085 593 F CA 0.284 58.317 58.000 0.055 0.000 1.260 593 F CB 0.531 39.557 39.000 0.044 0.000 1.095 593 F HN 0.353 nan 8.300 nan 0.000 0.573 594 V N 4.637 123.959 119.914 -0.986 0.000 2.721 594 V HA 0.488 4.615 4.120 0.011 0.000 0.236 594 V C 1.030 176.588 176.094 -0.894 0.000 1.116 594 V CA 0.724 62.626 62.300 -0.663 0.000 1.148 594 V CB -0.015 31.597 31.823 -0.351 0.000 0.886 594 V HN 1.015 nan 8.190 nan 0.000 0.490 595 G N -0.906 107.224 108.800 -1.117 0.000 2.488 595 G HA2 0.550 4.517 3.960 0.011 0.000 0.301 595 G HA3 0.550 4.517 3.960 0.011 0.000 0.301 595 G C -2.155 172.413 174.900 -0.554 0.000 1.339 595 G CA -0.179 44.492 45.100 -0.714 0.000 0.803 595 G HN 0.011 nan 8.290 nan 0.000 0.482 596 V N -0.579 118.976 119.914 -0.599 0.000 3.001 596 V HA 0.854 4.981 4.120 0.011 0.000 0.314 596 V C -0.089 175.915 176.094 -0.150 0.000 1.099 596 V CA -0.609 61.450 62.300 -0.402 0.000 0.989 596 V CB 1.863 33.294 31.823 -0.654 0.000 1.040 596 V HN 1.431 nan 8.190 nan 0.000 0.434 597 V N -0.485 119.452 119.914 0.037 0.000 3.007 597 V HA 1.064 5.190 4.120 0.011 0.000 0.311 597 V C -0.142 176.075 176.094 0.204 0.000 1.120 597 V CA -0.468 61.904 62.300 0.120 0.000 0.980 597 V CB 1.794 33.623 31.823 0.010 0.000 1.033 597 V HN 1.117 nan 8.190 nan 0.000 0.429 598 G N 4.158 113.038 108.800 0.132 0.000 2.609 598 G HA2 0.709 4.676 3.960 0.011 0.000 0.308 598 G HA3 0.709 4.676 3.960 0.011 0.000 0.308 598 G C -0.799 174.081 174.900 -0.034 0.000 1.369 598 G CA -0.900 44.259 45.100 0.099 0.000 0.958 598 G HN 1.122 nan 8.290 nan 0.000 0.499 599 M N 1.566 121.164 119.600 -0.004 0.000 2.662 599 M HA 0.822 5.308 4.480 0.011 0.000 0.310 599 M C -0.864 175.416 176.300 -0.034 0.000 1.204 599 M CA -1.192 54.088 55.300 -0.033 0.000 0.891 599 M CB 2.197 34.789 32.600 -0.012 0.000 1.732 599 M HN 0.397 nan 8.290 nan 0.000 0.467 600 L N -0.239 120.953 121.223 -0.053 0.000 2.325 600 L HA 0.865 5.211 4.340 0.011 0.000 0.278 600 L C -1.172 175.672 176.870 -0.043 0.000 1.023 600 L CA -0.111 54.700 54.840 -0.048 0.000 0.811 600 L CB 1.660 43.680 42.059 -0.066 0.000 1.249 600 L HN 0.818 nan 8.230 nan 0.000 0.431 601 D N 3.130 123.512 120.400 -0.030 0.000 2.429 601 D HA 0.374 5.021 4.640 0.011 0.000 0.255 601 D C -2.700 173.583 176.300 -0.027 0.000 1.257 601 D CA -1.352 52.633 54.000 -0.025 0.000 0.890 601 D CB 1.165 41.961 40.800 -0.006 0.000 1.267 601 D HN 0.479 nan 8.370 nan 0.000 0.521 602 P HA 0.129 nan 4.420 nan 0.000 0.262 602 P C -2.456 174.822 177.300 -0.036 0.000 1.182 602 P CA -0.883 62.196 63.100 -0.035 0.000 0.761 602 P CB 0.238 31.915 31.700 -0.038 0.000 0.795 603 P HA 0.131 nan 4.420 nan 0.000 0.272 603 P C 0.077 177.343 177.300 -0.056 0.000 1.223 603 P CA -0.066 62.998 63.100 -0.060 0.000 0.784 603 P CB 0.777 32.436 31.700 -0.069 0.000 0.923 604 R N 1.770 122.228 120.500 -0.070 0.000 2.570 604 R HA 0.031 4.378 4.340 0.011 0.000 0.277 604 R C 1.736 178.013 176.300 -0.039 0.000 1.039 604 R CA 0.045 56.119 56.100 -0.044 0.000 1.065 604 R CB 0.266 30.544 30.300 -0.035 0.000 0.964 604 R HN 0.461 nan 8.270 nan 0.000 0.428 605 K N 2.268 122.660 120.400 -0.014 0.000 2.032 605 K HA -0.196 4.131 4.320 0.011 0.000 0.209 605 K C 1.650 178.253 176.600 0.005 0.000 1.048 605 K CA 1.663 57.946 56.287 -0.006 0.000 0.927 605 K CB 0.060 32.561 32.500 0.002 0.000 0.712 605 K HN 0.647 nan 8.250 nan 0.000 0.441 606 E N 1.467 121.684 120.200 0.028 0.000 2.418 606 E HA -0.097 4.260 4.350 0.011 0.000 0.197 606 E C 1.823 178.472 176.600 0.081 0.000 1.026 606 E CA 0.727 57.162 56.400 0.059 0.000 0.862 606 E CB -0.322 29.430 29.700 0.087 0.000 0.799 606 E HN 0.079 nan 8.360 nan 0.000 0.518 607 V N 1.946 121.867 119.914 0.012 0.000 2.307 607 V HA -0.281 3.846 4.120 0.011 0.000 0.245 607 V C 2.737 178.810 176.094 -0.035 0.000 1.045 607 V CA 2.101 64.355 62.300 -0.078 0.000 1.024 607 V CB -0.694 30.918 31.823 -0.352 0.000 0.651 607 V HN 0.281 nan 8.190 nan 0.000 0.449 608 M N 0.819 120.395 119.600 -0.040 0.000 2.110 608 M HA -0.187 4.300 4.480 0.011 0.000 0.257 608 M C 2.053 178.361 176.300 0.013 0.000 1.071 608 M CA 2.738 58.025 55.300 -0.022 0.000 1.096 608 M CB -0.796 31.793 32.600 -0.018 0.000 1.300 608 M HN 0.353 nan 8.290 nan 0.000 0.411 609 G N -0.946 107.872 108.800 0.029 0.000 2.418 609 G HA2 -0.193 3.774 3.960 0.011 0.000 0.217 609 G HA3 -0.193 3.774 3.960 0.011 0.000 0.217 609 G C 1.403 176.340 174.900 0.061 0.000 1.158 609 G CA 1.040 46.163 45.100 0.038 0.000 0.771 609 G HN 0.573 nan 8.290 nan 0.000 0.545 610 S N 0.625 116.388 115.700 0.105 0.000 2.387 610 S HA -0.106 4.371 4.470 0.011 0.000 0.230 610 S C 2.232 176.915 174.600 0.139 0.000 1.035 610 S CA 1.113 59.402 58.200 0.148 0.000 1.014 610 S CB -0.240 63.149 63.200 0.314 0.000 0.836 610 S HN 0.414 nan 8.310 nan 0.000 0.466 611 I N 1.064 121.710 120.570 0.126 0.000 2.394 611 I HA -0.182 3.994 4.170 0.011 0.000 0.251 611 I C 2.718 178.864 176.117 0.048 0.000 1.136 611 I CA 1.021 62.373 61.300 0.088 0.000 1.425 611 I CB -0.354 37.666 38.000 0.032 0.000 1.079 611 I HN 0.264 nan 8.210 nan 0.000 0.425 612 Q N 1.551 121.374 119.800 0.037 0.000 1.967 612 Q HA -0.192 4.154 4.340 0.011 0.000 0.202 612 Q C 2.073 178.088 176.000 0.025 0.000 0.985 612 Q CA 2.000 57.818 55.803 0.025 0.000 0.839 612 Q CB -0.481 28.269 28.738 0.021 0.000 0.906 612 Q HN 0.267 nan 8.270 nan 0.000 0.423 613 L N -0.075 121.165 121.223 0.029 0.000 2.081 613 L HA -0.242 4.105 4.340 0.011 0.000 0.212 613 L C 2.609 179.490 176.870 0.018 0.000 1.080 613 L CA 1.471 56.324 54.840 0.021 0.000 0.754 613 L CB -1.250 40.821 42.059 0.021 0.000 0.893 613 L HN 0.400 nan 8.230 nan 0.000 0.433 614 C N -1.280 118.037 119.300 0.028 0.000 2.425 614 C HA -0.148 4.318 4.460 0.011 0.000 0.277 614 C C 3.049 178.049 174.990 0.016 0.000 1.280 614 C CA 0.734 59.765 59.018 0.023 0.000 1.744 614 C CB -0.770 26.996 27.740 0.043 0.000 1.989 614 C HN 0.516 nan 8.230 nan 0.000 0.491 615 R N 0.872 121.383 120.500 0.018 0.000 2.066 615 R HA -0.110 4.236 4.340 0.011 0.000 0.232 615 R C 1.762 178.066 176.300 0.007 0.000 1.131 615 R CA 1.824 57.931 56.100 0.012 0.000 0.955 615 R CB -0.340 29.968 30.300 0.013 0.000 0.851 615 R HN 0.468 nan 8.270 nan 0.000 0.432 616 D N 0.434 120.839 120.400 0.008 0.000 2.158 616 D HA -0.168 4.479 4.640 0.011 0.000 0.197 616 D C 1.283 177.583 176.300 0.001 0.000 0.995 616 D CA 1.609 55.611 54.000 0.004 0.000 0.846 616 D CB -0.183 40.620 40.800 0.005 0.000 0.941 616 D HN 0.387 nan 8.370 nan 0.000 0.456 617 A N -0.064 122.756 122.820 0.000 0.000 2.276 617 A HA 0.393 4.720 4.320 0.011 0.000 0.212 617 A C 1.614 179.194 177.584 -0.006 0.000 1.230 617 A CA 0.815 52.850 52.037 -0.004 0.000 0.844 617 A CB -0.563 18.434 19.000 -0.006 0.000 0.860 617 A HN 0.231 nan 8.150 nan 0.000 0.486 618 G N -0.364 108.434 108.800 -0.003 0.000 2.283 618 G HA2 -0.252 3.715 3.960 0.011 0.000 0.280 618 G HA3 -0.252 3.715 3.960 0.011 0.000 0.280 618 G C -0.020 174.877 174.900 -0.004 0.000 1.029 618 G CA 0.653 45.750 45.100 -0.005 0.000 0.840 618 G HN 0.568 nan 8.290 nan 0.000 0.505 619 I N -0.059 120.511 120.570 0.000 0.000 2.354 619 I HA 0.402 4.579 4.170 0.011 0.000 0.292 619 I C 0.956 177.081 176.117 0.012 0.000 0.989 619 I CA -0.927 60.374 61.300 0.003 0.000 1.188 619 I CB 1.326 39.326 38.000 -0.001 0.000 1.342 619 I HN -0.016 nan 8.210 nan 0.000 0.457 620 R N 4.144 124.654 120.500 0.016 0.000 2.490 620 R HA 0.563 4.910 4.340 0.011 0.000 0.278 620 R C -1.060 175.260 176.300 0.034 0.000 1.069 620 R CA -0.491 55.623 56.100 0.024 0.000 1.080 620 R CB 1.700 32.017 30.300 0.029 0.000 1.030 620 R HN 0.366 nan 8.270 nan 0.000 0.491 621 V N 5.845 125.777 119.914 0.029 0.000 2.357 621 V HA 0.335 4.461 4.120 0.011 0.000 0.281 621 V C -0.032 176.070 176.094 0.014 0.000 1.015 621 V CA -0.509 61.816 62.300 0.041 0.000 0.827 621 V CB 1.276 33.131 31.823 0.054 0.000 1.018 621 V HN 0.596 nan 8.190 nan 0.000 0.432 622 I N 4.804 125.406 120.570 0.052 0.000 2.428 622 I HA 0.478 4.655 4.170 0.011 0.000 0.296 622 I C 0.102 176.262 176.117 0.072 0.000 0.985 622 I CA -0.327 61.021 61.300 0.080 0.000 1.260 622 I CB 1.648 39.752 38.000 0.174 0.000 1.389 622 I HN 0.492 nan 8.210 nan 0.000 0.484 623 M N 7.054 126.691 119.600 0.061 0.000 2.180 623 M HA 0.558 5.044 4.480 0.011 0.000 0.350 623 M C -1.410 174.970 176.300 0.134 0.000 1.125 623 M CA -0.368 54.962 55.300 0.050 0.000 1.031 623 M CB 1.021 33.607 32.600 -0.024 0.000 1.623 623 M HN 0.487 nan 8.290 nan 0.000 0.451 624 I N 3.492 124.123 120.570 0.103 0.000 2.465 624 I HA 0.521 4.698 4.170 0.011 0.000 0.291 624 I C -0.355 175.813 176.117 0.085 0.000 1.014 624 I CA -0.537 60.830 61.300 0.112 0.000 1.093 624 I CB 2.245 40.271 38.000 0.043 0.000 1.267 624 I HN 0.651 nan 8.210 nan 0.000 0.431 625 T N 2.386 117.000 114.554 0.101 0.000 2.840 625 T HA 0.429 4.786 4.350 0.011 0.000 0.317 625 T C 0.605 175.367 174.700 0.102 0.000 1.401 625 T CA -0.094 62.058 62.100 0.087 0.000 1.028 625 T CB 1.736 70.649 68.868 0.074 0.000 1.317 625 T HN 0.766 nan 8.240 nan 0.000 0.495 626 G N 1.196 110.058 108.800 0.103 0.000 2.623 626 G HA2 0.117 4.083 3.960 0.011 0.000 0.214 626 G HA3 0.117 4.083 3.960 0.011 0.000 0.214 626 G C 0.542 175.512 174.900 0.117 0.000 1.138 626 G CA 0.079 45.252 45.100 0.123 0.000 0.794 626 G HN 0.699 nan 8.290 nan 0.000 0.535 627 D N 0.479 120.937 120.400 0.096 0.000 2.352 627 D HA -0.058 4.589 4.640 0.011 0.000 0.238 627 D C 0.434 176.784 176.300 0.084 0.000 1.286 627 D CA -0.279 53.772 54.000 0.084 0.000 0.923 627 D CB 0.278 41.118 40.800 0.067 0.000 1.146 627 D HN 0.114 nan 8.370 nan 0.000 0.471 628 N N 1.489 120.235 118.700 0.076 0.000 2.458 628 N HA -0.115 4.631 4.740 0.011 0.000 0.258 628 N C 0.944 176.492 175.510 0.063 0.000 1.219 628 N CA 0.097 53.189 53.050 0.070 0.000 0.902 628 N CB 0.711 39.239 38.487 0.068 0.000 1.076 628 N HN 0.365 nan 8.380 nan 0.000 0.455 629 K N 3.342 123.776 120.400 0.056 0.000 2.103 629 K HA -0.137 4.190 4.320 0.011 0.000 0.207 629 K C 1.631 178.253 176.600 0.035 0.000 1.048 629 K CA 1.634 57.947 56.287 0.044 0.000 0.930 629 K CB -0.450 32.066 32.500 0.026 0.000 0.716 629 K HN 0.741 nan 8.250 nan 0.000 0.444 630 G N 0.169 108.988 108.800 0.032 0.000 2.511 630 G HA2 -0.323 3.644 3.960 0.011 0.000 0.216 630 G HA3 -0.323 3.644 3.960 0.011 0.000 0.216 630 G C 1.506 176.432 174.900 0.044 0.000 1.218 630 G CA 1.598 46.715 45.100 0.028 0.000 0.788 630 G HN 0.493 nan 8.290 nan 0.000 0.560 631 T N 0.448 115.035 114.554 0.054 0.000 2.881 631 T HA 0.147 4.504 4.350 0.011 0.000 0.270 631 T C 2.512 177.244 174.700 0.053 0.000 1.068 631 T CA 1.948 64.083 62.100 0.058 0.000 1.131 631 T CB -0.356 68.553 68.868 0.068 0.000 0.871 631 T HN 0.345 nan 8.240 nan 0.000 0.479 632 A N 1.082 123.936 122.820 0.056 0.000 1.873 632 A HA 0.151 4.478 4.320 0.011 0.000 0.215 632 A C 2.346 179.976 177.584 0.076 0.000 1.186 632 A CA 1.388 53.460 52.037 0.058 0.000 0.616 632 A CB -0.723 18.315 19.000 0.064 0.000 0.823 632 A HN 0.616 nan 8.150 nan 0.000 0.442 633 I N -0.248 120.380 120.570 0.098 0.000 2.315 633 I HA -0.244 3.933 4.170 0.011 0.000 0.248 633 I C 2.948 179.151 176.117 0.144 0.000 1.117 633 I CA 0.821 62.223 61.300 0.170 0.000 1.404 633 I CB -0.279 37.776 38.000 0.092 0.000 1.071 633 I HN 0.365 nan 8.210 nan 0.000 0.419 634 A N 1.253 124.121 122.820 0.080 0.000 1.892 634 A HA -0.218 4.109 4.320 0.011 0.000 0.218 634 A C 2.266 179.883 177.584 0.054 0.000 1.188 634 A CA 1.759 53.833 52.037 0.061 0.000 0.631 634 A CB -0.899 18.130 19.000 0.048 0.000 0.822 634 A HN 0.406 nan 8.150 nan 0.000 0.447 635 I N -0.983 119.611 120.570 0.040 0.000 2.394 635 I HA -0.261 3.916 4.170 0.011 0.000 0.251 635 I C 2.424 178.540 176.117 -0.002 0.000 1.136 635 I CA 0.669 61.976 61.300 0.011 0.000 1.425 635 I CB -0.412 37.586 38.000 -0.004 0.000 1.079 635 I HN 0.388 nan 8.210 nan 0.000 0.425 636 C N 0.764 120.076 119.300 0.020 0.000 2.425 636 C HA -0.115 4.352 4.460 0.011 0.000 0.277 636 C C 2.947 177.948 174.990 0.019 0.000 1.280 636 C CA 0.876 59.867 59.018 -0.044 0.000 1.744 636 C CB -1.071 26.615 27.740 -0.091 0.000 1.989 636 C HN 0.426 nan 8.230 nan 0.000 0.491 637 R N 0.146 120.722 120.500 0.126 0.000 2.092 637 R HA -0.098 4.249 4.340 0.011 0.000 0.231 637 R C 2.354 178.683 176.300 0.048 0.000 1.119 637 R CA 1.197 57.370 56.100 0.122 0.000 0.970 637 R CB -0.324 30.042 30.300 0.109 0.000 0.864 637 R HN 0.426 nan 8.270 nan 0.000 0.440 638 R N 1.543 122.058 120.500 0.026 0.000 2.096 638 R HA -0.082 4.265 4.340 0.011 0.000 0.235 638 R C 2.013 178.303 176.300 -0.017 0.000 1.127 638 R CA 1.455 57.557 56.100 0.003 0.000 0.968 638 R CB -0.162 30.136 30.300 -0.003 0.000 0.861 638 R HN 0.380 nan 8.270 nan 0.000 0.440 639 I N -4.312 116.235 120.570 -0.037 0.000 3.728 639 I HA 0.431 4.608 4.170 0.011 0.000 0.307 639 I C 0.973 177.059 176.117 -0.053 0.000 1.276 639 I CA 0.554 61.817 61.300 -0.062 0.000 1.285 639 I CB 0.631 38.564 38.000 -0.111 0.000 1.038 639 I HN 0.274 nan 8.210 nan 0.000 0.445 640 G N 1.917 110.695 108.800 -0.035 0.000 2.179 640 G HA2 -0.220 3.747 3.960 0.011 0.000 0.220 640 G HA3 -0.220 3.747 3.960 0.011 0.000 0.220 640 G C 0.653 175.522 174.900 -0.051 0.000 0.990 640 G CA 0.245 45.332 45.100 -0.022 0.000 0.646 640 G HN 0.430 nan 8.290 nan 0.000 0.517 641 I N -0.390 120.095 120.570 -0.141 0.000 2.546 641 I HA 0.230 4.406 4.170 0.011 0.000 0.255 641 I C 0.823 176.770 176.117 -0.282 0.000 1.163 641 I CA 1.046 62.165 61.300 -0.301 0.000 1.457 641 I CB -0.047 37.632 38.000 -0.535 0.000 1.092 641 I HN 0.196 nan 8.210 nan 0.000 0.434 642 F N -0.346 119.594 119.950 -0.016 0.000 2.565 642 F HA 0.492 5.026 4.527 0.011 0.000 0.313 642 F C 0.781 176.570 175.800 -0.019 0.000 1.091 642 F CA -1.233 56.755 58.000 -0.021 0.000 0.915 642 F CB 1.551 40.532 39.000 -0.030 0.000 1.208 642 F HN -0.234 nan 8.300 nan 0.000 0.453 643 G N 1.257 110.172 108.800 0.192 0.000 2.441 643 G HA2 0.057 4.024 3.960 0.011 0.000 0.243 643 G HA3 0.057 4.024 3.960 0.011 0.000 0.243 643 G C 0.649 175.585 174.900 0.060 0.000 1.281 643 G CA -0.215 44.938 45.100 0.088 0.000 0.854 643 G HN 0.938 nan 8.290 nan 0.000 0.560 644 E N 1.363 121.588 120.200 0.041 0.000 2.197 644 E HA -0.225 4.131 4.350 0.011 0.000 0.205 644 E C 0.755 177.358 176.600 0.005 0.000 1.029 644 E CA 1.534 57.948 56.400 0.024 0.000 0.828 644 E CB 0.094 29.803 29.700 0.015 0.000 0.737 644 E HN 0.569 nan 8.360 nan 0.000 0.464 645 N N 0.495 119.191 118.700 -0.006 0.000 2.365 645 N HA 0.031 4.778 4.740 0.011 0.000 0.257 645 N C -0.983 174.500 175.510 -0.046 0.000 1.287 645 N CA -0.041 52.993 53.050 -0.026 0.000 0.882 645 N CB 0.892 39.366 38.487 -0.021 0.000 1.250 645 N HN 0.201 nan 8.380 nan 0.000 0.507 646 E N 1.611 121.779 120.200 -0.054 0.000 2.338 646 E HA 0.022 4.379 4.350 0.011 0.000 0.272 646 E C -0.422 176.077 176.600 -0.168 0.000 1.029 646 E CA -0.398 55.949 56.400 -0.089 0.000 0.872 646 E CB 0.866 30.530 29.700 -0.059 0.000 1.015 646 E HN -0.031 nan 8.360 nan 0.000 0.417 647 E N 3.403 123.512 120.200 -0.151 0.000 2.265 647 E HA 0.034 4.391 4.350 0.011 0.000 0.272 647 E C 0.018 176.456 176.600 -0.269 0.000 1.067 647 E CA -0.054 56.238 56.400 -0.180 0.000 0.900 647 E CB 1.034 30.659 29.700 -0.124 0.000 1.017 647 E HN 0.378 nan 8.360 nan 0.000 0.431 648 V N 2.048 121.739 119.914 -0.371 0.000 3.380 648 V HA 0.422 4.549 4.120 0.011 0.000 0.307 648 V C 1.535 177.405 176.094 -0.374 0.000 1.434 648 V CA 0.373 62.362 62.300 -0.519 0.000 1.075 648 V CB 0.074 31.296 31.823 -1.003 0.000 0.954 648 V HN 0.589 nan 8.190 nan 0.000 0.444 649 A N 0.970 123.625 122.820 -0.275 0.000 2.204 649 A HA -0.267 4.060 4.320 0.011 0.000 0.220 649 A C 1.765 179.186 177.584 -0.272 0.000 1.165 649 A CA 2.466 54.358 52.037 -0.242 0.000 0.671 649 A CB -0.506 18.393 19.000 -0.168 0.000 0.792 649 A HN 0.726 nan 8.150 nan 0.000 0.473 650 D N -2.268 117.984 120.400 -0.246 0.000 2.500 650 D HA 0.108 4.754 4.640 0.011 0.000 0.218 650 D C 1.383 177.585 176.300 -0.163 0.000 1.140 650 D CA 0.081 53.966 54.000 -0.192 0.000 0.830 650 D CB 0.136 40.887 40.800 -0.082 0.000 1.055 650 D HN 0.343 nan 8.370 nan 0.000 0.512 651 R N 0.027 120.407 120.500 -0.201 0.000 2.586 651 R HA 0.601 4.948 4.340 0.011 0.000 0.336 651 R C -0.534 175.716 176.300 -0.085 0.000 1.060 651 R CA -0.106 55.962 56.100 -0.055 0.000 1.079 651 R CB 1.622 31.952 30.300 0.050 0.000 1.317 651 R HN 0.007 nan 8.270 nan 0.000 0.568 652 A N 0.508 123.103 122.820 -0.375 0.000 2.437 652 A HA 0.643 4.970 4.320 0.011 0.000 0.293 652 A C -1.580 175.634 177.584 -0.617 0.000 1.038 652 A CA -0.530 51.299 52.037 -0.347 0.000 0.708 652 A CB 0.863 19.757 19.000 -0.177 0.000 1.251 652 A HN 0.162 nan 8.150 nan 0.000 0.409 653 Y N 0.031 120.145 120.300 -0.311 0.000 2.634 653 Y HA 0.747 5.304 4.550 0.011 0.000 0.340 653 Y C 0.817 176.703 175.900 -0.024 0.000 1.058 653 Y CA -0.245 57.781 58.100 -0.122 0.000 1.081 653 Y CB 2.458 40.909 38.460 -0.015 0.000 1.295 653 Y HN 0.729 nan 8.280 nan 0.000 0.487 654 T N -2.665 112.031 114.554 0.237 0.000 2.856 654 T HA 0.418 4.775 4.350 0.011 0.000 0.283 654 T C 1.084 175.896 174.700 0.187 0.000 1.008 654 T CA -0.308 61.894 62.100 0.170 0.000 0.997 654 T CB 1.525 70.469 68.868 0.126 0.000 0.992 654 T HN 0.869 nan 8.240 nan 0.000 0.454 655 G N 1.777 110.636 108.800 0.098 0.000 2.550 655 G HA2 -0.339 3.628 3.960 0.011 0.000 0.222 655 G HA3 -0.339 3.628 3.960 0.011 0.000 0.222 655 G C 1.499 176.467 174.900 0.114 0.000 1.113 655 G CA 1.226 46.278 45.100 -0.079 0.000 0.748 655 G HN 0.789 nan 8.290 nan 0.000 0.585 656 R N 0.692 121.293 120.500 0.169 0.000 2.070 656 R HA -0.007 4.340 4.340 0.011 0.000 0.232 656 R C 2.548 178.953 176.300 0.174 0.000 1.138 656 R CA 2.042 58.242 56.100 0.167 0.000 0.936 656 R CB -0.733 29.645 30.300 0.130 0.000 0.839 656 R HN 0.502 nan 8.270 nan 0.000 0.429 657 E N -0.632 119.687 120.200 0.199 0.000 2.070 657 E HA -0.242 4.115 4.350 0.011 0.000 0.197 657 E C 1.846 178.593 176.600 0.244 0.000 1.004 657 E CA 1.665 58.209 56.400 0.241 0.000 0.805 657 E CB -0.367 29.533 29.700 0.334 0.000 0.744 657 E HN 0.326 nan 8.360 nan 0.000 0.451 658 F N 2.172 122.165 119.950 0.072 0.000 2.043 658 F HA -0.269 4.264 4.527 0.011 0.000 0.297 658 F C 1.823 177.595 175.800 -0.046 0.000 1.121 658 F CA 1.837 59.788 58.000 -0.081 0.000 1.199 658 F CB -0.035 38.923 39.000 -0.070 0.000 0.968 658 F HN -0.082 nan 8.300 nan 0.000 0.478 659 D N 0.278 120.800 120.400 0.204 0.000 2.221 659 D HA -0.178 4.469 4.640 0.011 0.000 0.204 659 D C 1.728 178.047 176.300 0.032 0.000 0.982 659 D CA 1.398 55.479 54.000 0.134 0.000 0.857 659 D CB -0.588 40.356 40.800 0.240 0.000 0.934 659 D HN 0.378 nan 8.370 nan 0.000 0.475 660 D N -0.104 120.319 120.400 0.039 0.000 2.264 660 D HA -0.020 4.626 4.640 0.011 0.000 0.208 660 D C 0.741 177.021 176.300 -0.033 0.000 0.966 660 D CA 0.233 54.245 54.000 0.019 0.000 0.864 660 D CB 0.052 40.882 40.800 0.050 0.000 0.933 660 D HN 0.250 nan 8.370 nan 0.000 0.499 661 L N 1.987 123.146 121.223 -0.108 0.000 2.439 661 L HA 0.213 4.560 4.340 0.011 0.000 0.269 661 L C -1.888 174.885 176.870 -0.162 0.000 1.179 661 L CA -1.680 53.063 54.840 -0.162 0.000 0.828 661 L CB 0.203 42.077 42.059 -0.309 0.000 1.106 661 L HN -0.133 nan 8.230 nan 0.000 0.467 662 P HA 0.042 nan 4.420 nan 0.000 0.274 662 P C 0.628 177.844 177.300 -0.140 0.000 1.231 662 P CA -0.619 62.422 63.100 -0.098 0.000 0.790 662 P CB 0.925 32.585 31.700 -0.066 0.000 0.951 663 L N 2.414 123.585 121.223 -0.086 0.000 2.011 663 L HA -0.295 4.051 4.340 0.011 0.000 0.225 663 L C 2.694 179.481 176.870 -0.139 0.000 1.084 663 L CA 2.783 57.587 54.840 -0.060 0.000 0.791 663 L CB -2.580 39.495 42.059 0.026 0.000 0.898 663 L HN 0.500 nan 8.230 nan 0.000 0.440 664 A N -1.271 121.490 122.820 -0.099 0.000 1.948 664 A HA -0.207 4.120 4.320 0.011 0.000 0.220 664 A C 2.128 179.612 177.584 -0.166 0.000 1.177 664 A CA 1.716 53.690 52.037 -0.104 0.000 0.636 664 A CB -0.387 18.578 19.000 -0.057 0.000 0.815 664 A HN 0.500 nan 8.150 nan 0.000 0.449 665 E N -0.242 119.840 120.200 -0.195 0.000 2.285 665 E HA -0.115 4.242 4.350 0.011 0.000 0.194 665 E C 2.144 178.515 176.600 -0.382 0.000 0.997 665 E CA 0.789 57.056 56.400 -0.221 0.000 0.845 665 E CB -0.271 29.324 29.700 -0.176 0.000 0.782 665 E HN 0.803 nan 8.360 nan 0.000 0.491 666 Q N 0.406 119.853 119.800 -0.588 0.000 2.016 666 Q HA -0.083 4.264 4.340 0.011 0.000 0.200 666 Q C 2.346 177.814 176.000 -0.886 0.000 0.978 666 Q CA 0.972 56.175 55.803 -1.000 0.000 0.833 666 Q CB -0.198 27.832 28.738 -1.180 0.000 0.895 666 Q HN 0.104 nan 8.270 nan 0.000 0.427 667 R N 0.924 120.725 120.500 -1.165 0.000 2.113 667 R HA -0.253 4.094 4.340 0.011 0.000 0.244 667 R C 2.102 178.319 176.300 -0.138 0.000 1.142 667 R CA 1.898 57.498 56.100 -0.834 0.000 0.953 667 R CB -0.076 29.979 30.300 -0.408 0.000 0.860 667 R HN 0.131 nan 8.270 nan 0.000 0.438 668 E N 0.165 120.298 120.200 -0.111 0.000 2.058 668 E HA -0.139 4.218 4.350 0.011 0.000 0.194 668 E C 1.689 178.285 176.600 -0.006 0.000 0.997 668 E CA 1.817 58.211 56.400 -0.009 0.000 0.801 668 E CB -0.296 29.385 29.700 -0.032 0.000 0.746 668 E HN 0.466 nan 8.360 nan 0.000 0.450 669 A N -0.420 122.371 122.820 -0.048 0.000 2.070 669 A HA -0.188 4.138 4.320 0.011 0.000 0.220 669 A C 2.447 180.201 177.584 0.283 0.000 1.159 669 A CA 1.401 53.478 52.037 0.066 0.000 0.656 669 A CB -0.882 18.017 19.000 -0.169 0.000 0.800 669 A HN 0.487 nan 8.150 nan 0.000 0.453 670 C N -0.230 119.228 119.300 0.264 0.000 2.435 670 C HA -0.045 4.421 4.460 0.011 0.000 0.279 670 C C 2.600 177.726 174.990 0.228 0.000 1.321 670 C CA 1.056 60.277 59.018 0.338 0.000 1.752 670 C CB -0.995 26.899 27.740 0.256 0.000 1.959 670 C HN 0.771 nan 8.230 nan 0.000 0.500 671 R N 0.802 121.358 120.500 0.093 0.000 2.317 671 R HA 0.125 4.472 4.340 0.011 0.000 0.208 671 R C 1.770 178.086 176.300 0.027 0.000 0.914 671 R CA 0.407 56.500 56.100 -0.012 0.000 1.060 671 R CB -0.271 29.876 30.300 -0.256 0.000 1.015 671 R HN 0.543 nan 8.270 nan 0.000 0.498 672 R N 0.586 121.147 120.500 0.101 0.000 2.167 672 R HA 0.281 4.628 4.340 0.011 0.000 0.195 672 R C 0.140 176.533 176.300 0.156 0.000 1.027 672 R CA 0.567 56.730 56.100 0.106 0.000 1.114 672 R CB 0.372 30.733 30.300 0.102 0.000 1.075 672 R HN 0.161 nan 8.270 nan 0.000 0.538 673 A N 0.237 123.191 122.820 0.224 0.000 2.425 673 A HA 0.254 4.580 4.320 0.011 0.000 0.249 673 A C 0.259 177.949 177.584 0.177 0.000 1.084 673 A CA -0.363 51.767 52.037 0.156 0.000 0.781 673 A CB 0.617 19.604 19.000 -0.021 0.000 1.019 673 A HN 0.603 nan 8.150 nan 0.000 0.490 674 C N 0.503 119.875 119.300 0.121 0.000 3.243 674 C HA 0.423 4.890 4.460 0.011 0.000 0.286 674 C C 0.363 175.325 174.990 -0.046 0.000 1.373 674 C CA -0.325 58.717 59.018 0.040 0.000 1.749 674 C CB -1.444 26.229 27.740 -0.112 0.000 2.313 674 C HN 0.840 nan 8.230 nan 0.000 0.644 675 C N 1.370 120.637 119.300 -0.055 0.000 2.716 675 C HA 0.707 5.174 4.460 0.011 0.000 0.366 675 C C -1.724 173.136 174.990 -0.217 0.000 1.073 675 C CA -0.510 58.489 59.018 -0.032 0.000 1.260 675 C CB -0.467 27.319 27.740 0.075 0.000 1.755 675 C HN 0.400 nan 8.230 nan 0.000 0.475 676 F N 4.688 124.673 119.950 0.058 0.000 2.477 676 F HA 0.751 5.285 4.527 0.011 0.000 0.335 676 F C 0.525 176.340 175.800 0.025 0.000 1.130 676 F CA -0.096 57.925 58.000 0.035 0.000 0.948 676 F CB 1.811 40.768 39.000 -0.071 0.000 1.154 676 F HN 0.857 nan 8.300 nan 0.000 0.439 677 A N 2.333 125.258 122.820 0.175 0.000 2.387 677 A HA 0.807 5.133 4.320 0.011 0.000 0.303 677 A C 0.329 177.991 177.584 0.131 0.000 1.145 677 A CA -0.926 51.189 52.037 0.130 0.000 0.801 677 A CB 1.037 20.093 19.000 0.092 0.000 1.342 677 A HN 0.752 nan 8.150 nan 0.000 0.440 678 R N -1.372 119.202 120.500 0.123 0.000 3.387 678 R HA -0.147 4.199 4.340 0.011 0.000 0.254 678 R C -0.465 175.931 176.300 0.160 0.000 1.006 678 R CA 0.757 56.936 56.100 0.132 0.000 0.677 678 R CB -2.298 28.074 30.300 0.120 0.000 1.063 678 R HN 0.602 nan 8.270 nan 0.000 0.453 679 V N 0.764 120.776 119.914 0.163 0.000 2.532 679 V HA 0.214 4.341 4.120 0.011 0.000 0.295 679 V C 0.849 177.070 176.094 0.212 0.000 1.041 679 V CA -0.532 61.898 62.300 0.217 0.000 0.926 679 V CB 1.882 33.772 31.823 0.112 0.000 0.992 679 V HN 0.221 nan 8.190 nan 0.000 0.457 680 E N 6.949 127.312 120.200 0.272 0.000 2.312 680 E HA 0.298 4.655 4.350 0.011 0.000 0.259 680 E C -1.746 174.861 176.600 0.012 0.000 1.122 680 E CA -1.633 54.800 56.400 0.053 0.000 0.922 680 E CB 0.700 30.342 29.700 -0.096 0.000 1.109 680 E HN 0.476 nan 8.360 nan 0.000 0.442 681 P HA -0.187 nan 4.420 nan 0.000 0.222 681 P C 1.336 178.605 177.300 -0.051 0.000 1.147 681 P CA 1.358 64.443 63.100 -0.025 0.000 0.790 681 P CB 0.180 31.863 31.700 -0.028 0.000 0.780 682 S N -1.188 114.451 115.700 -0.103 0.000 2.414 682 S HA -0.153 4.324 4.470 0.011 0.000 0.227 682 S C 1.908 176.461 174.600 -0.078 0.000 1.022 682 S CA 0.624 58.753 58.200 -0.118 0.000 0.958 682 S CB -1.562 61.531 63.200 -0.179 0.000 0.797 682 S HN 0.255 nan 8.310 nan 0.000 0.493 683 H N 1.187 120.221 119.070 -0.060 0.000 2.395 683 H HA 0.128 4.690 4.556 0.011 0.000 0.299 683 H C 2.276 177.489 175.328 -0.191 0.000 1.070 683 H CA 1.326 57.304 56.048 -0.117 0.000 1.356 683 H CB 0.093 29.777 29.762 -0.130 0.000 1.401 683 H HN 0.390 nan 8.280 nan 0.000 0.524 684 K N 0.185 120.578 120.400 -0.011 0.000 1.991 684 K HA -0.178 4.148 4.320 0.011 0.000 0.212 684 K C 2.527 179.076 176.600 -0.085 0.000 1.049 684 K CA 1.422 57.662 56.287 -0.078 0.000 0.932 684 K CB -0.330 32.149 32.500 -0.035 0.000 0.717 684 K HN 0.075 nan 8.250 nan 0.000 0.441 685 S N 1.259 116.925 115.700 -0.058 0.000 2.369 685 S HA -0.261 4.216 4.470 0.011 0.000 0.225 685 S C 2.048 176.599 174.600 -0.082 0.000 1.043 685 S CA 1.921 60.084 58.200 -0.062 0.000 1.074 685 S CB -0.198 62.967 63.200 -0.059 0.000 0.962 685 S HN 0.263 nan 8.310 nan 0.000 0.433 686 K N 0.203 120.555 120.400 -0.080 0.000 2.059 686 K HA -0.146 4.181 4.320 0.011 0.000 0.212 686 K C 2.133 178.682 176.600 -0.085 0.000 1.050 686 K CA 2.042 58.257 56.287 -0.120 0.000 0.927 686 K CB -0.447 32.052 32.500 -0.002 0.000 0.714 686 K HN 0.517 nan 8.250 nan 0.000 0.447 687 I N 0.411 120.932 120.570 -0.081 0.000 2.151 687 I HA -0.324 3.853 4.170 0.011 0.000 0.243 687 I C 2.203 178.308 176.117 -0.019 0.000 1.080 687 I CA 1.171 62.405 61.300 -0.110 0.000 1.339 687 I CB -0.170 37.529 38.000 -0.502 0.000 1.039 687 I HN 0.044 nan 8.210 nan 0.000 0.409 688 V N 0.472 120.352 119.914 -0.056 0.000 2.407 688 V HA -0.303 3.824 4.120 0.011 0.000 0.248 688 V C 2.445 178.540 176.094 0.003 0.000 1.055 688 V CA 2.138 64.427 62.300 -0.019 0.000 1.049 688 V CB -0.608 31.196 31.823 -0.032 0.000 0.662 688 V HN 0.507 nan 8.190 nan 0.000 0.455 689 E N -0.708 119.464 120.200 -0.045 0.000 2.051 689 E HA -0.243 4.114 4.350 0.011 0.000 0.192 689 E C 2.248 178.839 176.600 -0.014 0.000 0.991 689 E CA 1.560 57.914 56.400 -0.077 0.000 0.799 689 E CB -0.224 29.367 29.700 -0.182 0.000 0.748 689 E HN 0.638 nan 8.360 nan 0.000 0.449 690 Y N 0.261 120.581 120.300 0.034 0.000 2.165 690 Y HA -0.207 4.350 4.550 0.011 0.000 0.286 690 Y C 2.181 178.163 175.900 0.136 0.000 1.155 690 Y CA 0.879 59.019 58.100 0.066 0.000 1.164 690 Y CB -0.452 38.088 38.460 0.133 0.000 0.978 690 Y HN 0.177 nan 8.280 nan 0.000 0.513 691 L N -0.018 121.385 121.223 0.300 0.000 2.265 691 L HA -0.200 4.147 4.340 0.011 0.000 0.215 691 L C 1.897 178.896 176.870 0.214 0.000 1.117 691 L CA 1.706 56.705 54.840 0.264 0.000 0.782 691 L CB -0.787 41.360 42.059 0.147 0.000 0.914 691 L HN 0.340 nan 8.230 nan 0.000 0.441 692 Q N -2.053 117.824 119.800 0.129 0.000 2.402 692 Q HA 0.001 4.348 4.340 0.011 0.000 0.206 692 Q C 2.033 178.056 176.000 0.038 0.000 0.919 692 Q CA 0.842 56.687 55.803 0.071 0.000 0.923 692 Q CB 0.102 28.854 28.738 0.023 0.000 1.048 692 Q HN 0.592 nan 8.270 nan 0.000 0.515 693 S N -0.553 115.148 115.700 0.002 0.000 2.555 693 S HA -0.090 4.387 4.470 0.011 0.000 0.230 693 S C 0.855 175.312 174.600 -0.239 0.000 0.978 693 S CA 0.509 58.630 58.200 -0.132 0.000 0.934 693 S CB -0.129 62.959 63.200 -0.185 0.000 0.766 693 S HN 0.339 nan 8.310 nan 0.000 0.533 694 Y N 1.678 122.006 120.300 0.047 0.000 2.658 694 Y HA 0.304 4.861 4.550 0.011 0.000 0.276 694 Y C -0.087 175.825 175.900 0.019 0.000 1.167 694 Y CA -1.253 56.867 58.100 0.033 0.000 1.230 694 Y CB -0.353 38.129 38.460 0.038 0.000 1.144 694 Y HN 0.110 nan 8.280 nan 0.000 0.529 695 D N 1.191 121.655 120.400 0.107 0.000 2.686 695 D HA -0.225 4.421 4.640 0.011 0.000 0.235 695 D C -0.195 176.145 176.300 0.068 0.000 1.160 695 D CA 0.989 55.028 54.000 0.065 0.000 0.645 695 D CB -0.708 40.120 40.800 0.046 0.000 1.039 695 D HN 0.518 nan 8.370 nan 0.000 0.423 696 E N -0.422 119.826 120.200 0.081 0.000 2.264 696 E HA 0.489 4.846 4.350 0.011 0.000 0.260 696 E C 0.382 177.000 176.600 0.030 0.000 0.961 696 E CA -1.080 55.353 56.400 0.055 0.000 0.834 696 E CB 1.493 31.236 29.700 0.072 0.000 1.230 696 E HN -0.036 nan 8.360 nan 0.000 0.412 697 I N 2.303 122.879 120.570 0.011 0.000 2.291 697 I HA 0.156 4.333 4.170 0.011 0.000 0.290 697 I C -0.062 176.057 176.117 0.002 0.000 1.050 697 I CA -0.106 61.192 61.300 -0.003 0.000 1.245 697 I CB 0.272 38.258 38.000 -0.023 0.000 1.405 697 I HN 0.323 nan 8.210 nan 0.000 0.478 698 T N 5.752 120.310 114.554 0.007 0.000 2.837 698 T HA 0.696 5.053 4.350 0.011 0.000 0.285 698 T C 0.257 174.956 174.700 -0.002 0.000 0.984 698 T CA -0.499 61.607 62.100 0.010 0.000 1.049 698 T CB 1.805 70.684 68.868 0.019 0.000 0.947 698 T HN 0.676 nan 8.240 nan 0.000 0.472 699 A N 3.171 125.990 122.820 -0.002 0.000 2.340 699 A HA 0.857 5.184 4.320 0.011 0.000 0.331 699 A C -0.620 176.965 177.584 0.002 0.000 1.140 699 A CA -0.851 51.181 52.037 -0.010 0.000 0.801 699 A CB 1.247 20.233 19.000 -0.023 0.000 1.234 699 A HN 0.743 nan 8.150 nan 0.000 0.469 700 M N 1.828 121.428 119.600 0.001 0.000 2.259 700 M HA 0.566 5.053 4.480 0.011 0.000 0.304 700 M C -0.994 175.318 176.300 0.021 0.000 1.019 700 M CA 0.039 55.347 55.300 0.013 0.000 0.922 700 M CB 1.925 34.527 32.600 0.004 0.000 1.600 700 M HN 0.576 nan 8.290 nan 0.000 0.433 701 T N 2.954 117.539 114.554 0.051 0.000 2.809 701 T HA 0.924 5.280 4.350 0.011 0.000 0.284 701 T C -0.141 174.611 174.700 0.086 0.000 0.992 701 T CA -0.709 61.436 62.100 0.074 0.000 0.957 701 T CB 1.353 70.307 68.868 0.144 0.000 0.942 701 T HN 0.881 nan 8.240 nan 0.000 0.439 702 G N 1.048 109.888 108.800 0.067 0.000 2.721 702 G HA2 0.634 4.600 3.960 0.011 0.000 0.296 702 G HA3 0.634 4.600 3.960 0.011 0.000 0.296 702 G C -0.754 174.180 174.900 0.057 0.000 1.383 702 G CA -0.673 44.464 45.100 0.061 0.000 0.788 702 G HN 0.582 nan 8.290 nan 0.000 0.500 703 D N -1.891 118.540 120.400 0.052 0.000 2.266 703 D HA 0.180 4.827 4.640 0.011 0.000 0.304 703 D C 0.978 177.304 176.300 0.044 0.000 1.080 703 D CA 0.703 54.732 54.000 0.048 0.000 0.850 703 D CB 0.313 41.145 40.800 0.053 0.000 1.515 703 D HN 0.779 nan 8.370 nan 0.000 0.531 704 G N 0.960 109.788 108.800 0.046 0.000 2.521 704 G HA2 0.445 4.412 3.960 0.011 0.000 0.323 704 G HA3 0.445 4.412 3.960 0.011 0.000 0.323 704 G C 1.137 176.062 174.900 0.041 0.000 1.211 704 G CA -0.053 45.076 45.100 0.048 0.000 0.979 704 G HN 0.198 nan 8.290 nan 0.000 0.490 705 V N -0.932 119.008 119.914 0.043 0.000 2.970 705 V HA -0.062 4.064 4.120 0.011 0.000 0.260 705 V C 1.766 177.875 176.094 0.026 0.000 1.100 705 V CA 1.557 63.876 62.300 0.032 0.000 1.122 705 V CB -0.685 31.158 31.823 0.032 0.000 0.721 705 V HN 0.700 nan 8.190 nan 0.000 0.483 706 N N -0.211 118.512 118.700 0.039 0.000 2.449 706 N HA -0.073 4.674 4.740 0.011 0.000 0.191 706 N C 0.685 176.209 175.510 0.023 0.000 1.161 706 N CA 0.972 54.041 53.050 0.031 0.000 0.863 706 N CB -0.037 38.482 38.487 0.054 0.000 0.980 706 N HN 0.550 nan 8.380 nan 0.000 0.458 707 D N 0.029 120.442 120.400 0.023 0.000 2.449 707 D HA 0.240 4.887 4.640 0.011 0.000 0.210 707 D C 1.673 177.978 176.300 0.008 0.000 1.094 707 D CA 0.118 54.129 54.000 0.018 0.000 0.846 707 D CB 0.547 41.364 40.800 0.028 0.000 1.003 707 D HN 0.259 nan 8.370 nan 0.000 0.504 708 A N 2.345 125.169 122.820 0.007 0.000 1.869 708 A HA -0.157 4.169 4.320 0.011 0.000 0.218 708 A C -0.307 177.272 177.584 -0.008 0.000 1.203 708 A CA 1.644 53.681 52.037 0.001 0.000 0.638 708 A CB -1.588 17.412 19.000 0.000 0.000 0.831 708 A HN 0.144 nan 8.150 nan 0.000 0.450 709 P HA -0.219 nan 4.420 nan 0.000 0.213 709 P C 1.892 179.178 177.300 -0.023 0.000 1.176 709 P CA 2.331 65.417 63.100 -0.023 0.000 0.919 709 P CB -0.275 31.407 31.700 -0.031 0.000 0.791 710 A N -0.663 122.144 122.820 -0.022 0.000 1.884 710 A HA -0.245 4.082 4.320 0.011 0.000 0.219 710 A C 2.307 179.882 177.584 -0.015 0.000 1.197 710 A CA 2.089 54.112 52.037 -0.023 0.000 0.637 710 A CB -1.872 17.116 19.000 -0.020 0.000 0.827 710 A HN 0.118 nan 8.150 nan 0.000 0.450 711 L N -1.038 120.180 121.223 -0.008 0.000 2.129 711 L HA -0.263 4.084 4.340 0.011 0.000 0.212 711 L C 2.648 179.512 176.870 -0.011 0.000 1.087 711 L CA 1.946 56.783 54.840 -0.005 0.000 0.757 711 L CB -0.400 41.660 42.059 0.001 0.000 0.896 711 L HN 0.422 nan 8.230 nan 0.000 0.434 712 K N -0.280 120.112 120.400 -0.014 0.000 2.007 712 K HA -0.178 4.148 4.320 0.011 0.000 0.206 712 K C 2.165 178.753 176.600 -0.020 0.000 1.047 712 K CA 0.940 57.217 56.287 -0.016 0.000 0.937 712 K CB -0.070 32.419 32.500 -0.017 0.000 0.718 712 K HN -0.064 nan 8.250 nan 0.000 0.438 713 K N 1.466 121.851 120.400 -0.024 0.000 2.044 713 K HA -0.105 4.222 4.320 0.011 0.000 0.210 713 K C 0.572 177.159 176.600 -0.023 0.000 1.049 713 K CA 1.257 57.527 56.287 -0.028 0.000 0.927 713 K CB -0.555 31.924 32.500 -0.036 0.000 0.713 713 K HN 0.224 nan 8.250 nan 0.000 0.443 714 A N 0.539 123.348 122.820 -0.019 0.000 2.504 714 A HA -0.042 4.285 4.320 0.011 0.000 0.242 714 A C 1.099 178.674 177.584 -0.015 0.000 1.100 714 A CA 0.350 52.379 52.037 -0.014 0.000 0.786 714 A CB -0.019 18.975 19.000 -0.011 0.000 1.050 714 A HN 0.402 nan 8.150 nan 0.000 0.512 715 E N -0.899 119.293 120.200 -0.014 0.000 2.072 715 E HA 0.054 4.410 4.350 0.011 0.000 0.190 715 E C 0.329 176.917 176.600 -0.019 0.000 0.982 715 E CA 0.971 57.361 56.400 -0.017 0.000 0.803 715 E CB 0.184 29.874 29.700 -0.017 0.000 0.755 715 E HN 0.463 nan 8.360 nan 0.000 0.453 716 I N 0.007 120.565 120.570 -0.020 0.000 2.534 716 I HA 0.437 4.614 4.170 0.011 0.000 0.288 716 I C -0.799 175.305 176.117 -0.021 0.000 1.077 716 I CA -0.643 60.643 61.300 -0.023 0.000 1.051 716 I CB 1.475 39.457 38.000 -0.030 0.000 1.234 716 I HN 0.026 nan 8.210 nan 0.000 0.425 717 G N 7.929 116.718 108.800 -0.019 0.000 2.372 717 G HA2 0.682 4.649 3.960 0.011 0.000 0.323 717 G HA3 0.682 4.649 3.960 0.011 0.000 0.323 717 G C -0.984 173.906 174.900 -0.017 0.000 1.152 717 G CA -0.413 44.678 45.100 -0.014 0.000 0.906 717 G HN 0.513 nan 8.290 nan 0.000 0.460 718 I N 1.749 122.310 120.570 -0.015 0.000 2.418 718 I HA 0.566 4.743 4.170 0.011 0.000 0.287 718 I C 0.343 176.462 176.117 0.002 0.000 1.008 718 I CA -0.719 60.568 61.300 -0.021 0.000 1.104 718 I CB 2.137 40.106 38.000 -0.051 0.000 1.264 718 I HN 0.549 nan 8.210 nan 0.000 0.438 719 A N 7.150 129.973 122.820 0.006 0.000 2.337 719 A HA 0.844 5.171 4.320 0.011 0.000 0.331 719 A C -0.294 177.309 177.584 0.030 0.000 1.137 719 A CA -0.766 51.285 52.037 0.023 0.000 0.807 719 A CB 1.259 20.271 19.000 0.019 0.000 1.250 719 A HN 0.588 nan 8.150 nan 0.000 0.468 720 M N 1.990 121.618 119.600 0.046 0.000 2.217 720 M HA 0.154 4.640 4.480 0.011 0.000 0.354 720 M C 1.600 177.926 176.300 0.043 0.000 1.225 720 M CA 0.127 55.459 55.300 0.053 0.000 1.137 720 M CB 0.427 33.066 32.600 0.065 0.000 1.576 720 M HN 0.960 nan 8.290 nan 0.000 0.461 721 G N 1.766 110.592 108.800 0.044 0.000 2.440 721 G HA2 -0.191 3.776 3.960 0.011 0.000 0.218 721 G HA3 -0.191 3.776 3.960 0.011 0.000 0.218 721 G C 1.189 176.115 174.900 0.042 0.000 1.154 721 G CA 1.222 46.348 45.100 0.044 0.000 0.767 721 G HN 0.752 nan 8.290 nan 0.000 0.552 722 S N 0.249 115.976 115.700 0.045 0.000 2.660 722 S HA 0.488 4.965 4.470 0.011 0.000 0.227 722 S C 1.115 175.738 174.600 0.038 0.000 0.948 722 S CA 0.162 58.386 58.200 0.040 0.000 0.948 722 S CB 0.234 63.461 63.200 0.045 0.000 0.779 722 S HN 0.486 nan 8.310 nan 0.000 0.487 723 G N 1.474 110.297 108.800 0.038 0.000 2.532 723 G HA2 0.493 4.460 3.960 0.011 0.000 0.291 723 G HA3 0.493 4.460 3.960 0.011 0.000 0.291 723 G C 0.109 175.028 174.900 0.031 0.000 1.349 723 G CA -0.192 44.930 45.100 0.037 0.000 1.038 723 G HN 0.487 nan 8.290 nan 0.000 0.518 724 T N -2.948 111.624 114.554 0.031 0.000 2.802 724 T HA 0.423 4.780 4.350 0.011 0.000 0.305 724 T C 1.535 176.248 174.700 0.023 0.000 1.053 724 T CA 0.464 62.580 62.100 0.026 0.000 1.058 724 T CB 1.327 70.212 68.868 0.029 0.000 0.988 724 T HN 0.848 nan 8.240 nan 0.000 0.539 725 A N 1.268 124.100 122.820 0.020 0.000 1.930 725 A HA 0.096 4.422 4.320 0.011 0.000 0.215 725 A C 2.451 180.045 177.584 0.017 0.000 1.176 725 A CA 1.266 53.314 52.037 0.017 0.000 0.632 725 A CB -1.206 17.803 19.000 0.016 0.000 0.819 725 A HN 1.219 nan 8.150 nan 0.000 0.445 726 V N -0.203 119.722 119.914 0.018 0.000 2.453 726 V HA -0.200 3.927 4.120 0.011 0.000 0.252 726 V C 2.410 178.513 176.094 0.014 0.000 1.068 726 V CA 2.537 64.847 62.300 0.015 0.000 1.070 726 V CB -0.821 31.011 31.823 0.016 0.000 0.664 726 V HN 0.553 nan 8.190 nan 0.000 0.461 727 A N -0.114 122.716 122.820 0.018 0.000 1.897 727 A HA -0.096 4.230 4.320 0.011 0.000 0.215 727 A C 2.244 179.836 177.584 0.015 0.000 1.181 727 A CA 1.629 53.676 52.037 0.018 0.000 0.620 727 A CB -0.516 18.499 19.000 0.025 0.000 0.821 727 A HN 0.616 nan 8.150 nan 0.000 0.443 728 K N -0.689 119.720 120.400 0.016 0.000 2.063 728 K HA -0.114 4.213 4.320 0.011 0.000 0.208 728 K C 2.065 178.669 176.600 0.008 0.000 1.048 728 K CA 1.767 58.062 56.287 0.012 0.000 0.928 728 K CB -0.496 32.012 32.500 0.015 0.000 0.713 728 K HN 0.417 nan 8.250 nan 0.000 0.442 729 T N 1.034 115.592 114.554 0.008 0.000 2.720 729 T HA -0.149 4.208 4.350 0.011 0.000 0.268 729 T C 1.564 176.265 174.700 0.001 0.000 1.037 729 T CA 1.520 63.622 62.100 0.005 0.000 1.144 729 T CB -0.162 68.710 68.868 0.006 0.000 0.864 729 T HN 0.330 nan 8.240 nan 0.000 0.444 730 A N 0.933 123.754 122.820 0.001 0.000 2.412 730 A HA 0.474 4.801 4.320 0.011 0.000 0.253 730 A C 0.692 178.274 177.584 -0.004 0.000 1.334 730 A CA -0.225 51.810 52.037 -0.002 0.000 0.929 730 A CB 0.034 19.033 19.000 -0.002 0.000 0.983 730 A HN 0.291 nan 8.150 nan 0.000 0.508 731 S N -0.962 114.736 115.700 -0.003 0.000 2.542 731 S HA 0.403 4.880 4.470 0.011 0.000 0.293 731 S C 0.201 174.795 174.600 -0.010 0.000 1.089 731 S CA -0.469 57.727 58.200 -0.006 0.000 0.961 731 S CB 1.703 64.902 63.200 -0.002 0.000 1.062 731 S HN 0.370 nan 8.310 nan 0.000 0.483 732 E N 1.013 121.204 120.200 -0.015 0.000 2.318 732 E HA 0.235 4.592 4.350 0.011 0.000 0.193 732 E C 0.233 176.821 176.600 -0.021 0.000 0.998 732 E CA 0.591 56.980 56.400 -0.018 0.000 0.859 732 E CB 0.311 29.998 29.700 -0.022 0.000 0.812 732 E HN 0.492 nan 8.360 nan 0.000 0.492 733 M N -0.140 119.448 119.600 -0.021 0.000 2.593 733 M HA 0.446 4.932 4.480 0.011 0.000 0.290 733 M C -1.761 174.529 176.300 -0.017 0.000 1.244 733 M CA -0.910 54.375 55.300 -0.024 0.000 0.857 733 M CB 2.122 34.700 32.600 -0.036 0.000 1.738 733 M HN -0.313 nan 8.290 nan 0.000 0.461 734 V N 4.242 124.147 119.914 -0.015 0.000 2.569 734 V HA 0.354 4.481 4.120 0.011 0.000 0.301 734 V C -0.573 175.518 176.094 -0.005 0.000 1.044 734 V CA -0.615 61.683 62.300 -0.004 0.000 0.874 734 V CB 1.933 33.759 31.823 0.005 0.000 1.002 734 V HN 0.780 nan 8.190 nan 0.000 0.424 735 L N 4.456 125.679 121.223 0.000 0.000 2.399 735 L HA 0.289 4.636 4.340 0.011 0.000 0.257 735 L C 1.864 178.747 176.870 0.022 0.000 1.236 735 L CA -0.052 54.789 54.840 0.002 0.000 1.144 735 L CB 0.294 42.355 42.059 0.003 0.000 1.379 735 L HN 0.873 nan 8.230 nan 0.000 0.414 736 A N 1.274 124.108 122.820 0.022 0.000 1.927 736 A HA -0.297 4.029 4.320 0.011 0.000 0.220 736 A C 1.993 179.613 177.584 0.060 0.000 1.185 736 A CA 2.360 54.426 52.037 0.047 0.000 0.639 736 A CB -0.328 18.704 19.000 0.054 0.000 0.820 736 A HN 0.693 nan 8.150 nan 0.000 0.451 737 D N -1.934 118.488 120.400 0.038 0.000 2.219 737 D HA -0.095 4.552 4.640 0.011 0.000 0.205 737 D C 0.149 176.480 176.300 0.053 0.000 0.970 737 D CA 1.286 55.311 54.000 0.042 0.000 0.851 737 D CB -0.059 40.749 40.800 0.012 0.000 0.943 737 D HN 0.382 nan 8.370 nan 0.000 0.488 738 D N -1.017 119.414 120.400 0.052 0.000 3.070 738 D HA -0.199 4.448 4.640 0.011 0.000 0.210 738 D C -0.552 175.801 176.300 0.089 0.000 1.103 738 D CA 0.382 54.424 54.000 0.070 0.000 0.980 738 D CB -1.857 38.984 40.800 0.068 0.000 1.100 738 D HN 0.311 nan 8.370 nan 0.000 0.423 739 N N 0.548 119.288 118.700 0.068 0.000 2.399 739 N HA 0.052 4.799 4.740 0.011 0.000 0.259 739 N C 0.852 176.423 175.510 0.102 0.000 1.160 739 N CA -0.068 53.031 53.050 0.080 0.000 0.946 739 N CB -0.149 38.363 38.487 0.041 0.000 1.156 739 N HN 0.021 nan 8.380 nan 0.000 0.489 740 F N 3.241 123.191 119.950 0.001 0.000 2.154 740 F HA -0.226 4.308 4.527 0.011 0.000 0.301 740 F C 2.196 177.994 175.800 -0.004 0.000 1.087 740 F CA 1.375 59.374 58.000 -0.001 0.000 1.274 740 F CB -0.146 38.853 39.000 -0.002 0.000 1.009 740 F HN 0.485 nan 8.300 nan 0.000 0.485 741 S N -0.570 115.183 115.700 0.088 0.000 2.380 741 S HA -0.271 4.206 4.470 0.011 0.000 0.229 741 S C 1.947 176.501 174.600 -0.077 0.000 1.043 741 S CA 1.910 60.117 58.200 0.011 0.000 1.038 741 S CB -0.844 62.381 63.200 0.041 0.000 0.872 741 S HN 0.499 nan 8.310 nan 0.000 0.456 742 T N 2.447 116.955 114.554 -0.076 0.000 2.760 742 T HA -0.106 4.251 4.350 0.011 0.000 0.269 742 T C 1.616 176.234 174.700 -0.136 0.000 1.047 742 T CA 1.264 63.312 62.100 -0.086 0.000 1.139 742 T CB -0.526 68.301 68.868 -0.068 0.000 0.855 742 T HN 0.393 nan 8.240 nan 0.000 0.471 743 I N 0.638 121.064 120.570 -0.240 0.000 2.286 743 I HA -0.167 4.010 4.170 0.011 0.000 0.248 743 I C 2.424 178.427 176.117 -0.190 0.000 1.115 743 I CA 0.857 61.995 61.300 -0.270 0.000 1.392 743 I CB -0.527 37.179 38.000 -0.489 0.000 1.065 743 I HN 0.119 nan 8.210 nan 0.000 0.418 744 V N 1.147 120.960 119.914 -0.168 0.000 2.261 744 V HA -0.311 3.816 4.120 0.011 0.000 0.246 744 V C 2.763 178.817 176.094 -0.066 0.000 1.047 744 V CA 2.081 64.326 62.300 -0.092 0.000 1.015 744 V CB -1.188 30.605 31.823 -0.051 0.000 0.642 744 V HN 0.510 nan 8.190 nan 0.000 0.446 745 A N -0.019 122.765 122.820 -0.060 0.000 2.024 745 A HA -0.126 4.201 4.320 0.011 0.000 0.220 745 A C 2.333 179.887 177.584 -0.049 0.000 1.164 745 A CA 2.074 54.084 52.037 -0.044 0.000 0.643 745 A CB -0.688 18.289 19.000 -0.038 0.000 0.806 745 A HN 0.622 nan 8.150 nan 0.000 0.451 746 A N -0.873 121.908 122.820 -0.066 0.000 2.014 746 A HA 0.141 4.467 4.320 0.011 0.000 0.218 746 A C 2.116 179.667 177.584 -0.054 0.000 1.163 746 A CA 1.462 53.461 52.037 -0.062 0.000 0.652 746 A CB -0.489 18.465 19.000 -0.076 0.000 0.808 746 A HN 0.338 nan 8.150 nan 0.000 0.449 747 V N -0.321 119.559 119.914 -0.056 0.000 2.407 747 V HA -0.199 3.928 4.120 0.011 0.000 0.245 747 V C 2.433 178.508 176.094 -0.031 0.000 1.041 747 V CA 2.046 64.319 62.300 -0.046 0.000 1.040 747 V CB -0.526 31.269 31.823 -0.047 0.000 0.671 747 V HN 0.773 nan 8.190 nan 0.000 0.455 748 E N 0.155 120.339 120.200 -0.027 0.000 2.038 748 E HA -0.271 4.086 4.350 0.011 0.000 0.195 748 E C 2.268 178.860 176.600 -0.013 0.000 1.000 748 E CA 1.566 57.957 56.400 -0.016 0.000 0.803 748 E CB -0.084 29.608 29.700 -0.014 0.000 0.750 748 E HN 0.469 nan 8.360 nan 0.000 0.448 749 E N -0.283 119.903 120.200 -0.023 0.000 2.118 749 E HA -0.161 4.195 4.350 0.011 0.000 0.195 749 E C 2.022 178.611 176.600 -0.019 0.000 0.992 749 E CA 1.164 57.548 56.400 -0.027 0.000 0.804 749 E CB -0.535 29.142 29.700 -0.038 0.000 0.741 749 E HN 0.467 nan 8.360 nan 0.000 0.458 750 G N 0.891 109.679 108.800 -0.020 0.000 2.418 750 G HA2 -0.272 3.695 3.960 0.011 0.000 0.217 750 G HA3 -0.272 3.695 3.960 0.011 0.000 0.217 750 G C 1.734 176.645 174.900 0.018 0.000 1.158 750 G CA 0.615 45.709 45.100 -0.011 0.000 0.771 750 G HN 0.200 nan 8.290 nan 0.000 0.545 751 R N 0.379 120.887 120.500 0.014 0.000 2.075 751 R HA 0.076 4.423 4.340 0.011 0.000 0.232 751 R C 3.050 179.398 176.300 0.080 0.000 1.126 751 R CA 1.099 57.225 56.100 0.044 0.000 0.963 751 R CB -0.353 29.959 30.300 0.021 0.000 0.858 751 R HN 0.345 nan 8.270 nan 0.000 0.435 752 A N 1.324 124.168 122.820 0.040 0.000 1.902 752 A HA -0.136 4.191 4.320 0.011 0.000 0.217 752 A C 2.155 179.753 177.584 0.024 0.000 1.181 752 A CA 1.175 53.229 52.037 0.028 0.000 0.623 752 A CB -0.515 18.486 19.000 0.002 0.000 0.818 752 A HN 0.179 nan 8.150 nan 0.000 0.443 753 I N -1.933 118.645 120.570 0.013 0.000 2.194 753 I HA -0.304 3.872 4.170 0.011 0.000 0.246 753 I C 2.463 178.602 176.117 0.037 0.000 1.093 753 I CA 1.873 63.169 61.300 -0.006 0.000 1.355 753 I CB -0.370 37.621 38.000 -0.015 0.000 1.046 753 I HN 0.544 nan 8.210 nan 0.000 0.413 754 Y N 1.898 122.178 120.300 -0.034 0.000 2.133 754 Y HA -0.249 4.307 4.550 0.011 0.000 0.287 754 Y C 2.276 178.174 175.900 -0.002 0.000 1.134 754 Y CA 1.830 59.917 58.100 -0.021 0.000 1.133 754 Y CB -0.641 37.810 38.460 -0.016 0.000 0.987 754 Y HN 0.187 nan 8.280 nan 0.000 0.502 755 N N -0.082 118.651 118.700 0.055 0.000 2.037 755 N HA -0.270 4.477 4.740 0.011 0.000 0.196 755 N C 1.355 176.836 175.510 -0.048 0.000 1.034 755 N CA 1.404 54.449 53.050 -0.007 0.000 0.861 755 N CB -0.321 38.197 38.487 0.052 0.000 1.039 755 N HN 0.388 nan 8.380 nan 0.000 0.427 756 N N 0.904 119.586 118.700 -0.029 0.000 2.069 756 N HA -0.095 4.652 4.740 0.011 0.000 0.191 756 N C 1.691 177.186 175.510 -0.024 0.000 1.031 756 N CA 0.989 54.031 53.050 -0.013 0.000 0.852 756 N CB -0.313 38.155 38.487 -0.031 0.000 1.018 756 N HN 0.231 nan 8.380 nan 0.000 0.423 757 M N 1.018 120.554 119.600 -0.107 0.000 2.106 757 M HA -0.135 4.351 4.480 0.011 0.000 0.259 757 M C 1.649 177.903 176.300 -0.077 0.000 1.068 757 M CA 1.362 56.582 55.300 -0.134 0.000 1.100 757 M CB -0.671 31.803 32.600 -0.211 0.000 1.351 757 M HN 0.097 nan 8.290 nan 0.000 0.404 758 K N 0.029 120.319 120.400 -0.183 0.000 1.984 758 K HA -0.145 4.182 4.320 0.011 0.000 0.209 758 K C 1.936 178.565 176.600 0.048 0.000 1.046 758 K CA 1.279 57.499 56.287 -0.111 0.000 0.934 758 K CB -0.729 31.669 32.500 -0.170 0.000 0.717 758 K HN 0.265 nan 8.250 nan 0.000 0.438 759 Q N 0.024 119.860 119.800 0.059 0.000 2.248 759 Q HA -0.131 4.216 4.340 0.011 0.000 0.208 759 Q C 1.767 177.862 176.000 0.159 0.000 0.984 759 Q CA 1.226 57.090 55.803 0.101 0.000 0.875 759 Q CB -0.396 28.387 28.738 0.076 0.000 0.910 759 Q HN 0.329 nan 8.270 nan 0.000 0.433 760 F N -0.367 119.591 119.950 0.013 0.000 2.094 760 F HA -0.027 4.507 4.527 0.011 0.000 0.291 760 F C 1.702 177.540 175.800 0.064 0.000 1.109 760 F CA 0.990 59.019 58.000 0.048 0.000 1.221 760 F CB -0.228 38.784 39.000 0.021 0.000 1.014 760 F HN -0.012 nan 8.300 nan 0.000 0.473 761 I N 0.553 121.349 120.570 0.377 0.000 2.423 761 I HA -0.293 3.884 4.170 0.011 0.000 0.254 761 I C 2.622 178.676 176.117 -0.106 0.000 1.151 761 I CA 1.019 62.431 61.300 0.188 0.000 1.421 761 I CB -0.567 37.550 38.000 0.196 0.000 1.079 761 I HN 0.201 nan 8.210 nan 0.000 0.431 762 R N 0.632 121.100 120.500 -0.053 0.000 2.066 762 R HA -0.216 4.130 4.340 0.011 0.000 0.232 762 R C 2.346 178.521 176.300 -0.208 0.000 1.131 762 R CA 1.805 57.819 56.100 -0.144 0.000 0.955 762 R CB -0.711 29.671 30.300 0.136 0.000 0.851 762 R HN 0.354 nan 8.270 nan 0.000 0.432 763 Y N 1.020 121.191 120.300 -0.216 0.000 2.070 763 Y HA -0.222 4.335 4.550 0.011 0.000 0.279 763 Y C 2.158 177.874 175.900 -0.306 0.000 1.134 763 Y CA 1.668 59.629 58.100 -0.233 0.000 1.113 763 Y CB -0.768 37.557 38.460 -0.224 0.000 0.981 763 Y HN 0.016 nan 8.280 nan 0.000 0.487 764 L N -0.135 120.829 121.223 -0.432 0.000 2.137 764 L HA -0.256 4.091 4.340 0.011 0.000 0.213 764 L C 2.063 178.680 176.870 -0.422 0.000 1.085 764 L CA 1.610 56.153 54.840 -0.495 0.000 0.760 764 L CB -0.741 41.055 42.059 -0.437 0.000 0.893 764 L HN 0.373 nan 8.230 nan 0.000 0.434 765 I N -1.817 118.497 120.570 -0.427 0.000 2.429 765 I HA -0.124 4.053 4.170 0.011 0.000 0.247 765 I C 2.499 178.364 176.117 -0.421 0.000 1.099 765 I CA 1.292 62.340 61.300 -0.421 0.000 1.422 765 I CB -0.658 36.998 38.000 -0.573 0.000 1.112 765 I HN 0.278 nan 8.210 nan 0.000 0.430 766 S N -1.128 114.292 115.700 -0.467 0.000 2.469 766 S HA -0.072 4.404 4.470 0.011 0.000 0.238 766 S C 1.884 176.310 174.600 -0.290 0.000 0.998 766 S CA 1.430 59.448 58.200 -0.302 0.000 0.957 766 S CB -0.365 62.715 63.200 -0.200 0.000 0.764 766 S HN 0.326 nan 8.310 nan 0.000 0.514 767 S N 2.140 117.602 115.700 -0.396 0.000 2.438 767 S HA 0.170 4.647 4.470 0.011 0.000 0.220 767 S C 1.602 176.029 174.600 -0.288 0.000 1.045 767 S CA 0.306 58.275 58.200 -0.386 0.000 0.940 767 S CB -0.552 62.259 63.200 -0.648 0.000 0.863 767 S HN 0.490 nan 8.310 nan 0.000 0.539 768 N N 1.636 120.157 118.700 -0.299 0.000 2.417 768 N HA -0.055 4.692 4.740 0.011 0.000 0.187 768 N C 1.350 176.762 175.510 -0.163 0.000 1.027 768 N CA 0.497 53.422 53.050 -0.208 0.000 0.891 768 N CB -0.408 37.963 38.487 -0.193 0.000 0.956 768 N HN 0.134 nan 8.380 nan 0.000 0.442 769 V N -0.363 119.445 119.914 -0.178 0.000 2.453 769 V HA -0.096 4.031 4.120 0.011 0.000 0.247 769 V C 2.281 178.300 176.094 -0.125 0.000 1.048 769 V CA 1.905 64.115 62.300 -0.149 0.000 1.049 769 V CB -0.997 30.725 31.823 -0.168 0.000 0.672 769 V HN 0.374 nan 8.190 nan 0.000 0.457 770 G N -0.321 108.403 108.800 -0.126 0.000 2.422 770 G HA2 -0.213 3.753 3.960 0.011 0.000 0.218 770 G HA3 -0.213 3.753 3.960 0.011 0.000 0.218 770 G C 1.314 176.169 174.900 -0.076 0.000 1.146 770 G CA 0.595 45.636 45.100 -0.098 0.000 0.769 770 G HN 0.596 nan 8.290 nan 0.000 0.547 771 E N -0.111 120.040 120.200 -0.082 0.000 2.515 771 E HA 0.033 4.390 4.350 0.011 0.000 0.201 771 E C 1.982 178.570 176.600 -0.020 0.000 1.071 771 E CA 0.213 56.582 56.400 -0.051 0.000 0.880 771 E CB 0.236 29.897 29.700 -0.064 0.000 0.828 771 E HN 0.449 nan 8.360 nan 0.000 0.540 772 V N -0.070 119.822 119.914 -0.036 0.000 2.911 772 V HA -0.084 4.043 4.120 0.011 0.000 0.237 772 V C 1.963 178.065 176.094 0.013 0.000 1.156 772 V CA 0.739 63.027 62.300 -0.020 0.000 1.180 772 V CB 0.449 32.206 31.823 -0.111 0.000 0.932 772 V HN 0.235 nan 8.190 nan 0.000 0.483 773 V N -1.805 118.089 119.914 -0.034 0.000 3.590 773 V HA -0.058 4.069 4.120 0.011 0.000 0.272 773 V C 1.729 177.843 176.094 0.034 0.000 1.233 773 V CA 1.603 63.901 62.300 -0.003 0.000 1.182 773 V CB -1.091 30.705 31.823 -0.046 0.000 0.901 773 V HN 0.602 nan 8.190 nan 0.000 0.485 774 C N -0.711 118.615 119.300 0.043 0.000 2.689 774 C HA 0.346 4.813 4.460 0.011 0.000 0.336 774 C C 2.163 177.199 174.990 0.078 0.000 1.304 774 C CA 0.173 59.210 59.018 0.032 0.000 1.860 774 C CB -0.207 27.532 27.740 -0.002 0.000 2.405 774 C HN 0.514 nan 8.230 nan 0.000 0.557 775 I N 0.672 121.328 120.570 0.143 0.000 2.584 775 I HA 0.079 4.255 4.170 0.011 0.000 0.255 775 I C 1.944 178.182 176.117 0.202 0.000 1.145 775 I CA 1.532 62.938 61.300 0.177 0.000 1.462 775 I CB -1.289 36.854 38.000 0.239 0.000 1.102 775 I HN 0.223 nan 8.210 nan 0.000 0.433 776 F N 0.410 120.370 119.950 0.015 0.000 2.317 776 F HA 0.046 4.580 4.527 0.011 0.000 0.293 776 F C 2.329 178.136 175.800 0.012 0.000 1.085 776 F CA 0.536 58.547 58.000 0.019 0.000 1.390 776 F CB -0.693 38.318 39.000 0.018 0.000 1.077 776 F HN -0.114 nan 8.300 nan 0.000 0.517 777 L N 0.061 121.390 121.223 0.176 0.000 2.191 777 L HA -0.196 4.150 4.340 0.011 0.000 0.212 777 L C 2.373 179.272 176.870 0.048 0.000 1.103 777 L CA 1.837 56.730 54.840 0.089 0.000 0.769 777 L CB -0.524 41.566 42.059 0.053 0.000 0.908 777 L HN 0.331 nan 8.230 nan 0.000 0.438 778 T N -3.548 111.029 114.554 0.039 0.000 2.937 778 T HA 0.045 4.401 4.350 0.011 0.000 0.260 778 T C 1.672 176.368 174.700 -0.008 0.000 1.051 778 T CA 0.561 62.667 62.100 0.010 0.000 1.141 778 T CB -0.375 68.497 68.868 0.008 0.000 0.879 778 T HN 0.312 nan 8.240 nan 0.000 0.459 779 A N 0.593 123.391 122.820 -0.037 0.000 2.252 779 A HA 0.731 5.057 4.320 0.011 0.000 0.207 779 A C 2.172 179.726 177.584 -0.050 0.000 1.194 779 A CA 0.803 52.792 52.037 -0.080 0.000 0.809 779 A CB -0.797 18.068 19.000 -0.224 0.000 0.814 779 A HN 0.701 nan 8.150 nan 0.000 0.482 780 A N -0.743 122.073 122.820 -0.007 0.000 2.011 780 A HA 0.347 4.674 4.320 0.011 0.000 0.204 780 A C 1.591 179.187 177.584 0.020 0.000 1.520 780 A CA 0.330 52.377 52.037 0.016 0.000 0.819 780 A CB -0.251 18.775 19.000 0.044 0.000 1.087 780 A HN 0.317 nan 8.150 nan 0.000 0.526 781 L N -0.056 121.178 121.223 0.017 0.000 2.549 781 L HA 0.068 4.415 4.340 0.011 0.000 0.229 781 L C 1.829 178.701 176.870 0.004 0.000 1.158 781 L CA 0.827 55.672 54.840 0.008 0.000 0.842 781 L CB -0.384 41.680 42.059 0.009 0.000 0.952 781 L HN 0.707 nan 8.230 nan 0.000 0.452 782 G N -0.229 108.586 108.800 0.025 0.000 2.225 782 G HA2 -0.279 3.687 3.960 0.011 0.000 0.254 782 G HA3 -0.279 3.687 3.960 0.011 0.000 0.254 782 G C 0.506 175.414 174.900 0.014 0.000 0.988 782 G CA 0.031 45.176 45.100 0.074 0.000 0.625 782 G HN 0.226 nan 8.290 nan 0.000 0.527 783 L N 2.049 123.230 121.223 -0.071 0.000 2.473 783 L HA 0.223 4.570 4.340 0.011 0.000 0.280 783 L C -0.773 175.816 176.870 -0.468 0.000 1.266 783 L CA -0.931 53.795 54.840 -0.190 0.000 0.824 783 L CB -0.377 41.659 42.059 -0.038 0.000 1.091 783 L HN 0.126 nan 8.230 nan 0.000 0.534 784 P HA 0.062 nan 4.420 nan 0.000 0.276 784 P C -0.859 176.365 177.300 -0.125 0.000 1.261 784 P CA -0.576 62.147 63.100 -0.628 0.000 0.800 784 P CB 0.417 31.957 31.700 -0.266 0.000 1.066 785 E N 0.121 120.333 120.200 0.021 0.000 2.708 785 E HA -0.036 4.320 4.350 0.011 0.000 0.260 785 E C 0.997 177.623 176.600 0.043 0.000 0.937 785 E CA 0.474 56.923 56.400 0.081 0.000 0.953 785 E CB 0.111 29.896 29.700 0.143 0.000 0.915 785 E HN 0.489 nan 8.360 nan 0.000 0.487 786 A N 4.247 127.084 122.820 0.029 0.000 2.063 786 A HA 0.217 4.544 4.320 0.011 0.000 0.211 786 A C 0.715 178.299 177.584 -0.000 0.000 1.177 786 A CA 0.430 52.467 52.037 0.001 0.000 0.759 786 A CB 0.503 19.503 19.000 0.000 0.000 0.857 786 A HN 0.484 nan 8.150 nan 0.000 0.468 787 L N -0.486 120.751 121.223 0.024 0.000 2.568 787 L HA 0.563 4.909 4.340 0.011 0.000 0.257 787 L C -0.791 176.100 176.870 0.036 0.000 1.024 787 L CA -0.978 53.878 54.840 0.026 0.000 0.854 787 L CB 2.244 44.320 42.059 0.028 0.000 1.460 787 L HN 0.422 nan 8.230 nan 0.000 0.409 788 I N -2.602 117.986 120.570 0.031 0.000 3.133 788 I HA 0.585 4.761 4.170 0.011 0.000 0.311 788 I C -2.287 173.811 176.117 -0.032 0.000 1.072 788 I CA -2.255 59.057 61.300 0.020 0.000 1.015 788 I CB 1.772 39.807 38.000 0.058 0.000 1.233 788 I HN 0.283 nan 8.210 nan 0.000 0.473 789 P HA -0.161 nan 4.420 nan 0.000 0.211 789 P C 1.784 179.066 177.300 -0.030 0.000 1.181 789 P CA 1.527 64.569 63.100 -0.097 0.000 0.929 789 P CB -0.070 31.552 31.700 -0.130 0.000 0.789 790 V N -0.894 118.993 119.914 -0.044 0.000 2.453 790 V HA -0.300 3.827 4.120 0.011 0.000 0.252 790 V C 2.553 178.694 176.094 0.079 0.000 1.068 790 V CA 1.937 64.204 62.300 -0.056 0.000 1.070 790 V CB -1.473 30.199 31.823 -0.252 0.000 0.664 790 V HN 0.142 nan 8.190 nan 0.000 0.461 791 Q N -0.423 119.430 119.800 0.088 0.000 2.046 791 Q HA -0.107 4.240 4.340 0.011 0.000 0.200 791 Q C 2.248 178.379 176.000 0.218 0.000 0.975 791 Q CA 1.664 57.578 55.803 0.185 0.000 0.836 791 Q CB -0.207 28.594 28.738 0.105 0.000 0.896 791 Q HN 0.593 nan 8.270 nan 0.000 0.428 792 L N -0.095 121.198 121.223 0.118 0.000 1.976 792 L HA -0.223 4.124 4.340 0.011 0.000 0.209 792 L C 2.230 179.169 176.870 0.114 0.000 1.071 792 L CA 1.066 55.959 54.840 0.088 0.000 0.746 792 L CB -0.541 41.535 42.059 0.028 0.000 0.890 792 L HN 0.310 nan 8.230 nan 0.000 0.432 793 L N -1.179 120.114 121.223 0.116 0.000 2.137 793 L HA -0.318 4.029 4.340 0.011 0.000 0.213 793 L C 2.436 179.431 176.870 0.208 0.000 1.085 793 L CA 1.567 56.483 54.840 0.127 0.000 0.760 793 L CB -0.668 41.465 42.059 0.124 0.000 0.893 793 L HN 0.585 nan 8.230 nan 0.000 0.434 794 W N 0.816 122.198 121.300 0.136 0.000 2.407 794 W HA -0.140 4.526 4.660 0.010 0.000 0.305 794 W C 2.211 178.793 176.519 0.104 0.000 1.196 794 W CA 1.733 59.194 57.345 0.194 0.000 1.311 794 W CB -0.077 29.580 29.460 0.329 0.000 1.135 794 W HN -0.032 nan 8.180 nan 0.000 0.514 795 V N 1.555 121.548 119.914 0.131 0.000 2.469 795 V HA -0.360 3.767 4.120 0.011 0.000 0.251 795 V C 2.105 178.121 176.094 -0.131 0.000 1.064 795 V CA 2.356 64.634 62.300 -0.037 0.000 1.066 795 V CB -1.667 30.169 31.823 0.022 0.000 0.667 795 V HN 0.227 nan 8.190 nan 0.000 0.461 796 N N 1.024 119.677 118.700 -0.078 0.000 2.028 796 N HA -0.179 4.568 4.740 0.011 0.000 0.194 796 N C 1.797 177.229 175.510 -0.131 0.000 1.050 796 N CA 1.985 54.986 53.050 -0.082 0.000 0.848 796 N CB -0.461 38.007 38.487 -0.032 0.000 1.038 796 N HN 0.481 nan 8.380 nan 0.000 0.423 797 L N -0.253 120.871 121.223 -0.165 0.000 2.351 797 L HA -0.058 4.289 4.340 0.011 0.000 0.220 797 L C 0.879 177.556 176.870 -0.323 0.000 1.127 797 L CA 0.956 55.668 54.840 -0.213 0.000 0.786 797 L CB 0.117 42.049 42.059 -0.212 0.000 0.914 797 L HN 0.116 nan 8.230 nan 0.000 0.443 798 V N -1.563 118.101 119.914 -0.417 0.000 3.621 798 V HA -0.000 4.127 4.120 0.011 0.000 0.263 798 V C 2.057 178.036 176.094 -0.191 0.000 1.272 798 V CA 1.118 63.190 62.300 -0.381 0.000 1.080 798 V CB 0.347 31.818 31.823 -0.586 0.000 0.816 798 V HN 0.678 nan 8.190 nan 0.000 0.451 799 T N -4.276 110.195 114.554 -0.138 0.000 2.978 799 T HA 0.090 4.447 4.350 0.011 0.000 0.248 799 T C 0.836 175.560 174.700 0.041 0.000 1.018 799 T CA 0.419 62.502 62.100 -0.028 0.000 1.026 799 T CB 0.143 68.968 68.868 -0.072 0.000 1.032 799 T HN 0.271 nan 8.240 nan 0.000 0.485 800 D N 1.430 121.812 120.400 -0.030 0.000 2.424 800 D HA 0.410 5.057 4.640 0.011 0.000 0.220 800 D C 1.171 177.474 176.300 0.005 0.000 1.150 800 D CA -0.028 53.964 54.000 -0.013 0.000 0.831 800 D CB 0.471 41.241 40.800 -0.049 0.000 0.981 800 D HN 0.574 nan 8.370 nan 0.000 0.500 801 G N -0.289 108.502 108.800 -0.016 0.000 3.022 801 G HA2 0.203 4.170 3.960 0.011 0.000 0.157 801 G HA3 0.203 4.170 3.960 0.011 0.000 0.157 801 G C 1.176 176.077 174.900 0.002 0.000 1.468 801 G CA -0.466 44.625 45.100 -0.014 0.000 1.058 801 G HN 0.109 nan 8.290 nan 0.000 0.581 802 L N 0.930 122.139 121.223 -0.025 0.000 2.081 802 L HA -0.099 4.247 4.340 0.011 0.000 0.212 802 L C -0.117 176.729 176.870 -0.040 0.000 1.080 802 L CA 1.434 56.254 54.840 -0.034 0.000 0.754 802 L CB -1.377 40.648 42.059 -0.057 0.000 0.893 802 L HN 0.280 nan 8.230 nan 0.000 0.433 803 P HA -0.171 nan 4.420 nan 0.000 0.219 803 P C 1.375 178.560 177.300 -0.193 0.000 1.146 803 P CA 1.725 64.755 63.100 -0.117 0.000 0.808 803 P CB 0.049 31.681 31.700 -0.113 0.000 0.779 804 A N -1.217 121.540 122.820 -0.105 0.000 1.874 804 A HA -0.088 4.238 4.320 0.011 0.000 0.214 804 A C 2.184 179.910 177.584 0.237 0.000 1.189 804 A CA 1.904 53.890 52.037 -0.086 0.000 0.615 804 A CB -1.672 17.300 19.000 -0.048 0.000 0.830 804 A HN 0.109 nan 8.150 nan 0.000 0.443 805 T N 0.763 115.459 114.554 0.238 0.000 2.746 805 T HA -0.060 4.297 4.350 0.011 0.000 0.267 805 T C 2.101 176.925 174.700 0.207 0.000 1.039 805 T CA 1.519 63.759 62.100 0.232 0.000 1.142 805 T CB -0.473 68.461 68.868 0.111 0.000 0.866 805 T HN 0.568 nan 8.240 nan 0.000 0.444 806 A N 0.884 123.752 122.820 0.080 0.000 2.186 806 A HA 0.013 4.340 4.320 0.011 0.000 0.219 806 A C 2.044 179.754 177.584 0.211 0.000 1.159 806 A CA 0.842 52.912 52.037 0.056 0.000 0.680 806 A CB -0.693 18.293 19.000 -0.023 0.000 0.787 806 A HN 0.354 nan 8.150 nan 0.000 0.467 807 L N -0.654 120.676 121.223 0.177 0.000 2.376 807 L HA 0.035 4.382 4.340 0.011 0.000 0.219 807 L C 2.307 179.291 176.870 0.190 0.000 1.133 807 L CA 1.428 56.362 54.840 0.157 0.000 0.816 807 L CB -0.665 41.481 42.059 0.145 0.000 0.933 807 L HN 0.360 nan 8.230 nan 0.000 0.449 808 G N -2.497 106.439 108.800 0.227 0.000 2.848 808 G HA2 -0.152 3.815 3.960 0.011 0.000 0.208 808 G HA3 -0.152 3.815 3.960 0.011 0.000 0.208 808 G C 0.962 175.795 174.900 -0.112 0.000 1.152 808 G CA -0.042 45.074 45.100 0.026 0.000 0.789 808 G HN 0.386 nan 8.290 nan 0.000 0.531 809 F N 0.213 120.156 119.950 -0.012 0.000 2.639 809 F HA 0.307 4.841 4.527 0.012 0.000 0.302 809 F C 0.352 176.188 175.800 0.059 0.000 1.097 809 F CA -1.033 56.973 58.000 0.010 0.000 1.294 809 F CB 0.270 39.275 39.000 0.008 0.000 1.027 809 F HN -0.124 nan 8.300 nan 0.000 0.550 810 N N 2.356 121.149 118.700 0.154 0.000 2.497 810 N HA 0.137 4.884 4.740 0.011 0.000 0.268 810 N C -2.431 173.117 175.510 0.064 0.000 1.171 810 N CA -1.206 51.906 53.050 0.103 0.000 0.948 810 N CB 0.177 38.704 38.487 0.066 0.000 1.069 810 N HN -0.080 nan 8.380 nan 0.000 0.460 811 P HA 0.108 nan 4.420 nan 0.000 0.271 811 P C -2.376 174.939 177.300 0.025 0.000 1.233 811 P CA -0.720 62.406 63.100 0.043 0.000 0.789 811 P CB -0.012 31.712 31.700 0.041 0.000 0.951 812 P HA 0.111 nan 4.420 nan 0.000 0.277 812 P C -0.538 176.771 177.300 0.015 0.000 1.240 812 P CA -0.078 63.032 63.100 0.017 0.000 0.798 812 P CB 0.672 32.380 31.700 0.013 0.000 0.979 813 D N 1.250 121.660 120.400 0.017 0.000 2.390 813 D HA -0.008 4.638 4.640 0.011 0.000 0.236 813 D C 1.338 177.644 176.300 0.009 0.000 1.189 813 D CA 0.144 54.151 54.000 0.013 0.000 0.887 813 D CB 0.868 41.680 40.800 0.020 0.000 1.198 813 D HN 0.367 nan 8.370 nan 0.000 0.444 814 L N 1.165 122.391 121.223 0.005 0.000 2.786 814 L HA -0.095 4.252 4.340 0.011 0.000 0.250 814 L C 0.914 177.787 176.870 0.006 0.000 1.151 814 L CA 0.707 55.550 54.840 0.005 0.000 0.910 814 L CB -0.307 41.753 42.059 0.002 0.000 1.082 814 L HN 0.403 nan 8.230 nan 0.000 0.433 815 D N -1.995 118.409 120.400 0.007 0.000 2.755 815 D HA -0.061 4.585 4.640 0.011 0.000 0.293 815 D C 1.202 177.506 176.300 0.008 0.000 1.642 815 D CA -0.207 53.797 54.000 0.005 0.000 0.825 815 D CB -0.725 40.077 40.800 0.002 0.000 1.303 815 D HN 0.213 nan 8.370 nan 0.000 0.434 816 I N -0.032 120.544 120.570 0.011 0.000 2.567 816 I HA -0.113 4.064 4.170 0.011 0.000 0.257 816 I C 0.758 176.880 176.117 0.009 0.000 1.184 816 I CA 1.044 62.353 61.300 0.015 0.000 1.451 816 I CB 0.196 38.208 38.000 0.019 0.000 1.089 816 I HN -0.059 nan 8.210 nan 0.000 0.441 817 M N -0.209 119.394 119.600 0.005 0.000 2.560 817 M HA 0.165 4.652 4.480 0.011 0.000 0.297 817 M C -0.219 176.082 176.300 0.000 0.000 1.201 817 M CA 0.491 55.792 55.300 0.001 0.000 0.973 817 M CB -0.511 32.089 32.600 0.000 0.000 1.401 817 M HN 0.065 nan 8.290 nan 0.000 0.497 818 D N -0.248 120.152 120.400 0.000 0.000 2.540 818 D HA 0.162 4.809 4.640 0.011 0.000 0.229 818 D C 0.413 176.710 176.300 -0.005 0.000 1.250 818 D CA -0.006 53.992 54.000 -0.002 0.000 0.817 818 D CB 1.048 41.847 40.800 -0.002 0.000 1.060 818 D HN 0.129 nan 8.370 nan 0.000 0.508 819 R N 1.655 122.152 120.500 -0.005 0.000 2.599 819 R HA 0.440 4.786 4.340 0.011 0.000 0.295 819 R C -2.618 173.676 176.300 -0.010 0.000 0.963 819 R CA -1.911 54.184 56.100 -0.008 0.000 0.883 819 R CB 1.463 31.761 30.300 -0.003 0.000 1.171 819 R HN -0.188 nan 8.270 nan 0.000 0.450 820 P HA 0.017 nan 4.420 nan 0.000 0.269 820 P C -2.480 174.808 177.300 -0.020 0.000 1.211 820 P CA -0.695 62.396 63.100 -0.016 0.000 0.781 820 P CB -0.128 31.561 31.700 -0.018 0.000 0.877 821 P HA 0.095 nan 4.420 nan 0.000 0.269 821 P C 0.062 177.334 177.300 -0.048 0.000 1.209 821 P CA 0.015 63.092 63.100 -0.038 0.000 0.776 821 P CB 0.583 32.261 31.700 -0.038 0.000 0.876 822 R N 2.074 122.529 120.500 -0.074 0.000 2.442 822 R HA 0.179 4.526 4.340 0.011 0.000 0.291 822 R C -0.161 176.084 176.300 -0.092 0.000 1.069 822 R CA -0.219 55.827 56.100 -0.091 0.000 1.022 822 R CB 0.095 30.298 30.300 -0.162 0.000 0.976 822 R HN 0.425 nan 8.270 nan 0.000 0.443 823 S N 6.161 121.824 115.700 -0.061 0.000 2.552 823 S HA 0.021 4.498 4.470 0.011 0.000 0.289 823 S C -1.694 172.867 174.600 -0.065 0.000 1.304 823 S CA -0.938 57.234 58.200 -0.047 0.000 1.063 823 S CB 1.127 64.311 63.200 -0.026 0.000 0.848 823 S HN 0.621 nan 8.310 nan 0.000 0.499 824 P HA -0.018 nan 4.420 nan 0.000 0.223 824 P C 0.969 178.246 177.300 -0.039 0.000 1.151 824 P CA 0.769 63.834 63.100 -0.058 0.000 0.787 824 P CB 0.231 31.909 31.700 -0.037 0.000 0.788 825 K N -0.359 120.027 120.400 -0.023 0.000 2.361 825 K HA 0.031 4.358 4.320 0.011 0.000 0.196 825 K C 0.720 177.317 176.600 -0.005 0.000 1.039 825 K CA 0.096 56.377 56.287 -0.009 0.000 1.001 825 K CB -0.386 32.112 32.500 -0.002 0.000 0.795 825 K HN 0.341 nan 8.250 nan 0.000 0.495 826 E N 3.626 123.818 120.200 -0.012 0.000 2.608 826 E HA -0.046 4.311 4.350 0.011 0.000 0.259 826 E C -2.027 174.587 176.600 0.023 0.000 0.951 826 E CA -1.116 55.286 56.400 0.003 0.000 0.945 826 E CB 0.433 30.131 29.700 -0.004 0.000 0.916 826 E HN -0.034 nan 8.360 nan 0.000 0.477 827 P HA -0.078 nan 4.420 nan 0.000 0.271 827 P C 0.577 177.913 177.300 0.059 0.000 1.216 827 P CA -0.277 62.844 63.100 0.036 0.000 0.776 827 P CB 0.957 32.672 31.700 0.025 0.000 0.881 828 L N 4.070 125.318 121.223 0.042 0.000 2.013 828 L HA -0.062 4.285 4.340 0.011 0.000 0.212 828 L C 0.953 177.815 176.870 -0.013 0.000 1.073 828 L CA 1.863 56.721 54.840 0.029 0.000 0.753 828 L CB -0.501 41.502 42.059 -0.092 0.000 0.890 828 L HN 0.343 nan 8.230 nan 0.000 0.432 829 I N 0.136 120.687 120.570 -0.033 0.000 2.411 829 I HA 0.223 4.400 4.170 0.011 0.000 0.284 829 I C 0.256 176.380 176.117 0.013 0.000 1.012 829 I CA -0.557 60.738 61.300 -0.008 0.000 1.119 829 I CB 1.226 39.232 38.000 0.010 0.000 1.261 829 I HN 0.092 nan 8.210 nan 0.000 0.448 830 S N 3.745 119.467 115.700 0.036 0.000 2.593 830 S HA 0.273 4.750 4.470 0.011 0.000 0.269 830 S C 1.382 176.025 174.600 0.072 0.000 1.334 830 S CA -0.040 58.201 58.200 0.067 0.000 1.015 830 S CB 1.567 64.838 63.200 0.118 0.000 0.912 830 S HN 0.783 nan 8.310 nan 0.000 0.541 831 G N 1.125 109.987 108.800 0.103 0.000 2.459 831 G HA2 -0.244 3.723 3.960 0.011 0.000 0.217 831 G HA3 -0.244 3.723 3.960 0.011 0.000 0.217 831 G C 1.185 176.206 174.900 0.203 0.000 1.183 831 G CA 0.770 45.951 45.100 0.135 0.000 0.776 831 G HN 0.938 nan 8.290 nan 0.000 0.552 832 W N 0.512 121.836 121.300 0.040 0.000 2.341 832 W HA -0.118 4.549 4.660 0.011 0.000 0.283 832 W C 1.757 178.313 176.519 0.062 0.000 1.215 832 W CA 0.835 58.217 57.345 0.061 0.000 1.211 832 W CB -0.140 29.337 29.460 0.029 0.000 1.131 832 W HN 0.176 nan 8.180 nan 0.000 0.552 833 L N -0.004 121.146 121.223 -0.120 0.000 2.072 833 L HA -0.125 4.221 4.340 0.011 0.000 0.205 833 L C 2.400 178.742 176.870 -0.880 0.000 1.079 833 L CA 1.658 56.202 54.840 -0.493 0.000 0.752 833 L CB -1.798 40.046 42.059 -0.358 0.000 0.906 833 L HN -0.101 nan 8.230 nan 0.000 0.436 834 F N -0.925 118.637 119.950 -0.647 0.000 2.250 834 F HA -0.286 4.248 4.527 0.011 0.000 0.301 834 F C 2.330 177.977 175.800 -0.255 0.000 1.077 834 F CA 1.044 58.766 58.000 -0.463 0.000 1.348 834 F CB -0.341 38.583 39.000 -0.127 0.000 1.040 834 F HN 0.138 nan 8.300 nan 0.000 0.509 835 F N 0.965 120.725 119.950 -0.316 0.000 2.084 835 F HA -0.118 4.416 4.527 0.011 0.000 0.296 835 F C 2.643 178.171 175.800 -0.453 0.000 1.111 835 F CA 1.866 59.663 58.000 -0.339 0.000 1.224 835 F CB -0.738 38.074 39.000 -0.314 0.000 0.991 835 F HN -0.130 nan 8.300 nan 0.000 0.471 836 R N -0.215 119.918 120.500 -0.611 0.000 2.133 836 R HA -0.240 4.107 4.340 0.011 0.000 0.247 836 R C 2.122 178.242 176.300 -0.300 0.000 1.151 836 R CA 2.199 57.970 56.100 -0.549 0.000 0.971 836 R CB -1.222 28.808 30.300 -0.449 0.000 0.866 836 R HN 0.396 nan 8.270 nan 0.000 0.447 837 Y N -0.506 119.548 120.300 -0.410 0.000 2.133 837 Y HA -0.133 4.424 4.550 0.011 0.000 0.287 837 Y C 2.201 177.827 175.900 -0.458 0.000 1.134 837 Y CA 1.037 58.908 58.100 -0.381 0.000 1.133 837 Y CB -0.732 37.511 38.460 -0.361 0.000 0.987 837 Y HN 0.020 nan 8.280 nan 0.000 0.502 838 M N -0.262 119.073 119.600 -0.441 0.000 2.175 838 M HA -0.079 4.408 4.480 0.011 0.000 0.264 838 M C 2.411 178.474 176.300 -0.395 0.000 1.063 838 M CA 1.326 56.368 55.300 -0.430 0.000 1.119 838 M CB -1.806 30.508 32.600 -0.477 0.000 1.377 838 M HN 0.246 nan 8.290 nan 0.000 0.415 839 A N 1.138 123.602 122.820 -0.592 0.000 1.851 839 A HA -0.164 4.163 4.320 0.011 0.000 0.216 839 A C 2.208 179.624 177.584 -0.281 0.000 1.195 839 A CA 1.621 53.321 52.037 -0.561 0.000 0.622 839 A CB -0.670 17.817 19.000 -0.855 0.000 0.831 839 A HN 0.357 nan 8.150 nan 0.000 0.444 840 I N -0.343 120.080 120.570 -0.245 0.000 2.162 840 I HA -0.140 4.036 4.170 0.011 0.000 0.238 840 I C 2.829 178.896 176.117 -0.084 0.000 1.076 840 I CA 1.583 62.806 61.300 -0.128 0.000 1.353 840 I CB -2.105 35.820 38.000 -0.125 0.000 1.063 840 I HN 0.375 nan 8.210 nan 0.000 0.408 841 G N 0.699 109.413 108.800 -0.143 0.000 2.517 841 G HA2 -0.245 3.722 3.960 0.011 0.000 0.222 841 G HA3 -0.245 3.722 3.960 0.011 0.000 0.222 841 G C 1.658 176.493 174.900 -0.108 0.000 1.109 841 G CA 1.152 46.167 45.100 -0.142 0.000 0.746 841 G HN 0.523 nan 8.290 nan 0.000 0.576 842 G N -0.394 108.345 108.800 -0.102 0.000 2.404 842 G HA2 -0.121 3.846 3.960 0.011 0.000 0.213 842 G HA3 -0.121 3.846 3.960 0.011 0.000 0.213 842 G C 1.554 176.439 174.900 -0.026 0.000 1.189 842 G CA 0.899 45.956 45.100 -0.072 0.000 0.796 842 G HN 0.417 nan 8.290 nan 0.000 0.532 843 Y N 2.085 122.319 120.300 -0.109 0.000 2.097 843 Y HA -0.254 4.303 4.550 0.011 0.000 0.282 843 Y C 2.900 178.757 175.900 -0.072 0.000 1.152 843 Y CA 2.675 60.726 58.100 -0.081 0.000 1.136 843 Y CB -0.445 37.965 38.460 -0.083 0.000 0.975 843 Y HN 0.113 nan 8.280 nan 0.000 0.498 844 V N -1.098 118.858 119.914 0.070 0.000 2.392 844 V HA -0.175 3.952 4.120 0.011 0.000 0.249 844 V C 2.337 178.346 176.094 -0.141 0.000 1.059 844 V CA 2.077 64.353 62.300 -0.041 0.000 1.051 844 V CB -1.867 29.957 31.823 0.002 0.000 0.658 844 V HN 0.487 nan 8.190 nan 0.000 0.455 845 G N -0.396 108.336 108.800 -0.114 0.000 2.421 845 G HA2 0.038 4.005 3.960 0.011 0.000 0.217 845 G HA3 0.038 4.005 3.960 0.011 0.000 0.217 845 G C 1.606 176.438 174.900 -0.115 0.000 1.143 845 G CA 0.923 45.964 45.100 -0.097 0.000 0.784 845 G HN 0.897 nan 8.290 nan 0.000 0.541 846 A N 0.628 123.347 122.820 -0.169 0.000 2.030 846 A HA 0.587 4.914 4.320 0.011 0.000 0.215 846 A C 2.524 179.955 177.584 -0.256 0.000 1.164 846 A CA 1.368 53.301 52.037 -0.173 0.000 0.697 846 A CB -0.247 18.660 19.000 -0.155 0.000 0.827 846 A HN 0.576 nan 8.150 nan 0.000 0.457 847 A N -0.883 121.680 122.820 -0.429 0.000 2.209 847 A HA 0.096 4.422 4.320 0.011 0.000 0.212 847 A C 1.987 179.435 177.584 -0.228 0.000 1.158 847 A CA 1.783 53.546 52.037 -0.456 0.000 0.742 847 A CB -0.600 17.956 19.000 -0.741 0.000 0.790 847 A HN 0.370 nan 8.150 nan 0.000 0.472 848 T N -0.697 113.757 114.554 -0.167 0.000 2.953 848 T HA -0.028 4.329 4.350 0.011 0.000 0.247 848 T C 2.043 176.702 174.700 -0.068 0.000 1.029 848 T CA 1.399 63.437 62.100 -0.104 0.000 1.144 848 T CB -0.437 68.382 68.868 -0.082 0.000 0.870 848 T HN 0.514 nan 8.240 nan 0.000 0.446 849 V N 0.843 120.724 119.914 -0.056 0.000 2.427 849 V HA 0.102 4.229 4.120 0.011 0.000 0.248 849 V C 2.501 178.600 176.094 0.008 0.000 1.051 849 V CA 1.921 64.211 62.300 -0.017 0.000 1.048 849 V CB -1.558 30.261 31.823 -0.008 0.000 0.666 849 V HN 0.453 nan 8.190 nan 0.000 0.456 850 G N -0.615 108.175 108.800 -0.017 0.000 2.559 850 G HA2 0.119 4.086 3.960 0.011 0.000 0.216 850 G HA3 0.119 4.086 3.960 0.011 0.000 0.216 850 G C 1.469 176.417 174.900 0.079 0.000 1.126 850 G CA 0.914 46.029 45.100 0.025 0.000 0.778 850 G HN 0.879 nan 8.290 nan 0.000 0.543 851 A N 0.588 123.426 122.820 0.031 0.000 1.942 851 A HA 0.613 4.940 4.320 0.011 0.000 0.209 851 A C 2.631 180.290 177.584 0.125 0.000 1.214 851 A CA 1.359 53.426 52.037 0.051 0.000 0.686 851 A CB -0.427 18.533 19.000 -0.066 0.000 0.871 851 A HN 0.511 nan 8.150 nan 0.000 0.460 852 A N 0.011 122.854 122.820 0.037 0.000 2.015 852 A HA 0.257 4.584 4.320 0.011 0.000 0.219 852 A C 2.328 179.941 177.584 0.048 0.000 1.163 852 A CA 1.850 53.870 52.037 -0.028 0.000 0.646 852 A CB -0.646 18.318 19.000 -0.061 0.000 0.806 852 A HN 0.875 nan 8.150 nan 0.000 0.448 853 A N -1.564 121.352 122.820 0.161 0.000 1.878 853 A HA -0.010 4.317 4.320 0.011 0.000 0.213 853 A C 1.923 179.670 177.584 0.271 0.000 1.192 853 A CA 1.185 53.368 52.037 0.244 0.000 0.619 853 A CB -0.963 18.142 19.000 0.175 0.000 0.837 853 A HN 0.791 nan 8.150 nan 0.000 0.446 854 W N -0.269 121.081 121.300 0.084 0.000 2.304 854 W HA -0.296 4.371 4.660 0.011 0.000 0.315 854 W C 1.996 178.581 176.519 0.111 0.000 1.233 854 W CA 2.420 59.822 57.345 0.096 0.000 1.261 854 W CB -0.475 29.043 29.460 0.097 0.000 1.150 854 W HN 0.514 nan 8.180 nan 0.000 0.494 855 W N -0.055 121.344 121.300 0.165 0.000 2.354 855 W HA -0.210 4.457 4.660 0.012 0.000 0.315 855 W C 2.402 178.826 176.519 -0.158 0.000 1.206 855 W CA 2.689 59.970 57.345 -0.107 0.000 1.290 855 W CB -1.294 28.122 29.460 -0.074 0.000 1.152 855 W HN -0.058 nan 8.180 nan 0.000 0.489 856 F N -0.166 119.821 119.950 0.062 0.000 2.154 856 F HA -0.387 4.147 4.527 0.012 0.000 0.301 856 F C 2.194 177.781 175.800 -0.355 0.000 1.087 856 F CA 1.271 59.179 58.000 -0.154 0.000 1.274 856 F CB -0.318 38.711 39.000 0.048 0.000 1.009 856 F HN -0.091 nan 8.300 nan 0.000 0.485 857 M N -1.087 118.415 119.600 -0.162 0.000 2.018 857 M HA -0.082 4.405 4.480 0.011 0.000 0.190 857 M C 1.589 177.592 176.300 -0.494 0.000 1.341 857 M CA 0.680 55.745 55.300 -0.392 0.000 1.140 857 M CB -1.677 30.697 32.600 -0.377 0.000 0.956 857 M HN -0.025 nan 8.290 nan 0.000 0.429 858 Y N 2.327 122.214 120.300 -0.688 0.000 2.715 858 Y HA 0.256 4.813 4.550 0.011 0.000 0.332 858 Y C 0.405 175.756 175.900 -0.916 0.000 1.213 858 Y CA -0.792 56.905 58.100 -0.672 0.000 1.304 858 Y CB -1.329 36.835 38.460 -0.493 0.000 1.041 858 Y HN 0.309 nan 8.280 nan 0.000 0.502 859 A N 1.404 123.572 122.820 -1.087 0.000 2.535 859 A HA -0.006 4.321 4.320 0.011 0.000 0.290 859 A C 1.506 178.661 177.584 -0.715 0.000 1.270 859 A CA 0.407 51.786 52.037 -1.098 0.000 0.937 859 A CB -0.633 17.767 19.000 -1.000 0.000 1.096 859 A HN 0.759 nan 8.150 nan 0.000 0.534 860 E N 1.943 121.725 120.200 -0.697 0.000 1.964 860 E HA -0.220 4.137 4.350 0.011 0.000 0.209 860 E C 0.917 177.375 176.600 -0.238 0.000 0.988 860 E CA 1.449 57.606 56.400 -0.405 0.000 0.875 860 E CB -0.101 29.417 29.700 -0.303 0.000 0.813 860 E HN 0.730 nan 8.360 nan 0.000 0.533 861 D N -0.125 120.191 120.400 -0.141 0.000 2.349 861 D HA 0.020 4.667 4.640 0.011 0.000 0.224 861 D C -0.172 176.080 176.300 -0.080 0.000 1.029 861 D CA 0.224 54.178 54.000 -0.078 0.000 0.879 861 D CB -0.219 40.571 40.800 -0.017 0.000 0.906 861 D HN 0.233 nan 8.370 nan 0.000 0.528 862 G N 2.352 111.063 108.800 -0.147 0.000 2.378 862 G HA2 0.233 4.199 3.960 0.011 0.000 0.255 862 G HA3 0.233 4.199 3.960 0.011 0.000 0.255 862 G C -2.135 172.591 174.900 -0.291 0.000 1.270 862 G CA -0.806 44.213 45.100 -0.136 0.000 0.876 862 G HN 0.095 nan 8.290 nan 0.000 0.521 863 P HA 0.093 nan 4.420 nan 0.000 0.285 863 P C 0.868 177.841 177.300 -0.546 0.000 1.282 863 P CA 0.731 63.715 63.100 -0.193 0.000 0.778 863 P CB 0.285 32.018 31.700 0.055 0.000 1.222 864 G N -1.286 107.319 108.800 -0.325 0.000 2.386 864 G HA2 -0.146 3.821 3.960 0.011 0.000 0.295 864 G HA3 -0.146 3.821 3.960 0.011 0.000 0.295 864 G C 0.028 174.666 174.900 -0.437 0.000 0.979 864 G CA -0.030 44.863 45.100 -0.346 0.000 1.193 864 G HN 0.423 nan 8.290 nan 0.000 0.508 865 V N 0.182 119.909 119.914 -0.312 0.000 2.732 865 V HA 0.886 5.013 4.120 0.011 0.000 0.297 865 V C 0.806 176.806 176.094 -0.156 0.000 1.060 865 V CA 0.549 62.689 62.300 -0.266 0.000 1.038 865 V CB 1.556 33.262 31.823 -0.195 0.000 1.003 865 V HN 0.985 nan 8.190 nan 0.000 0.481 866 T N 2.121 116.596 114.554 -0.132 0.000 2.654 866 T HA 0.558 4.915 4.350 0.011 0.000 0.303 866 T C -2.418 172.243 174.700 -0.065 0.000 1.656 866 T CA -0.379 61.664 62.100 -0.095 0.000 0.971 866 T CB 1.224 69.970 68.868 -0.203 0.000 1.811 866 T HN 0.434 nan 8.240 nan 0.000 0.483 867 Y N 2.046 122.113 120.300 -0.388 0.000 2.330 867 Y HA 0.403 4.960 4.550 0.011 0.000 0.324 867 Y C 0.845 176.297 175.900 -0.747 0.000 1.093 867 Y CA -0.337 57.338 58.100 -0.709 0.000 1.103 867 Y CB 0.965 38.922 38.460 -0.838 0.000 1.183 867 Y HN 0.912 nan 8.280 nan 0.000 0.433 868 H N 0.527 119.587 119.070 -0.018 0.000 4.211 868 H HA -0.330 4.233 4.556 0.011 0.000 0.187 868 H C 0.988 176.263 175.328 -0.089 0.000 0.900 868 H CA 1.810 57.832 56.048 -0.043 0.000 1.223 868 H CB -0.998 28.764 29.762 0.000 0.000 1.072 868 H HN 0.795 nan 8.280 nan 0.000 0.354 869 Q N 0.752 120.493 119.800 -0.097 0.000 2.439 869 Q HA -0.018 4.329 4.340 0.011 0.000 0.211 869 Q C 2.004 177.935 176.000 -0.115 0.000 0.978 869 Q CA 1.056 56.764 55.803 -0.160 0.000 0.897 869 Q CB -0.090 28.413 28.738 -0.391 0.000 0.956 869 Q HN 0.330 nan 8.270 nan 0.000 0.483 870 L N 0.397 121.547 121.223 -0.121 0.000 2.129 870 L HA -0.202 4.144 4.340 0.011 0.000 0.212 870 L C 2.290 179.161 176.870 0.001 0.000 1.087 870 L CA 1.820 56.600 54.840 -0.100 0.000 0.757 870 L CB -1.178 40.821 42.059 -0.099 0.000 0.896 870 L HN 0.180 nan 8.230 nan 0.000 0.434 871 T N -1.787 112.731 114.554 -0.059 0.000 2.720 871 T HA -0.155 4.201 4.350 0.011 0.000 0.268 871 T C 0.672 175.364 174.700 -0.012 0.000 1.037 871 T CA 1.223 63.259 62.100 -0.106 0.000 1.144 871 T CB -0.429 68.241 68.868 -0.330 0.000 0.864 871 T HN 0.279 nan 8.240 nan 0.000 0.444 872 H N 1.010 120.169 119.070 0.149 0.000 2.741 872 H HA 0.288 4.851 4.556 0.011 0.000 0.261 872 H C 0.384 175.805 175.328 0.154 0.000 1.365 872 H CA -0.897 55.220 56.048 0.116 0.000 1.266 872 H CB -0.351 29.466 29.762 0.092 0.000 1.485 872 H HN 0.526 nan 8.280 nan 0.000 0.529 873 F N -0.411 119.532 119.950 -0.012 0.000 2.717 873 F HA 0.305 4.839 4.527 0.011 0.000 0.297 873 F C 1.158 176.675 175.800 -0.473 0.000 1.113 873 F CA -0.170 57.722 58.000 -0.179 0.000 1.319 873 F CB 0.348 39.226 39.000 -0.204 0.000 1.097 873 F HN 0.091 nan 8.300 nan 0.000 0.595 874 M N 0.924 119.867 119.600 -1.094 0.000 2.493 874 M HA 0.189 4.676 4.480 0.011 0.000 0.244 874 M C 0.638 176.657 176.300 -0.469 0.000 1.182 874 M CA 0.352 55.084 55.300 -0.946 0.000 0.981 874 M CB 0.180 32.210 32.600 -0.949 0.000 1.551 874 M HN 0.303 nan 8.290 nan 0.000 0.476 875 Q N -0.396 119.225 119.800 -0.298 0.000 2.247 875 Q HA 0.058 4.405 4.340 0.011 0.000 0.211 875 Q C 1.761 177.607 176.000 -0.257 0.000 0.861 875 Q CA 0.177 55.862 55.803 -0.197 0.000 0.949 875 Q CB 0.375 29.053 28.738 -0.101 0.000 1.115 875 Q HN 0.742 nan 8.270 nan 0.000 0.507 876 c N -1.303 117.084 118.600 -0.354 0.000 2.539 876 c HA 0.142 4.719 4.570 0.011 0.000 0.271 876 c C 2.042 175.874 174.090 -0.429 0.000 1.412 876 c CA -0.160 55.782 56.329 -0.644 0.000 1.729 876 c CB -1.309 40.801 42.510 -0.666 0.000 1.739 876 c HN 0.213 nan 8.230 nan 0.000 0.570 877 T N 0.856 115.251 114.554 -0.265 0.000 3.023 877 T HA -0.036 4.321 4.350 0.011 0.000 0.266 877 T C 1.581 176.196 174.700 -0.140 0.000 1.093 877 T CA 1.676 63.664 62.100 -0.186 0.000 1.129 877 T CB -0.027 68.765 68.868 -0.126 0.000 0.899 877 T HN 0.767 nan 8.240 nan 0.000 0.491 878 E N -0.252 119.884 120.200 -0.107 0.000 2.717 878 E HA 0.080 4.437 4.350 0.011 0.000 0.204 878 E C 0.170 176.783 176.600 0.022 0.000 0.911 878 E CA -0.039 56.340 56.400 -0.035 0.000 1.370 878 E CB 0.670 30.336 29.700 -0.056 0.000 1.315 878 E HN 0.113 nan 8.360 nan 0.000 0.643 879 D N 1.581 121.959 120.400 -0.037 0.000 2.458 879 D HA 0.037 4.684 4.640 0.011 0.000 0.258 879 D C -1.005 175.214 176.300 -0.135 0.000 1.134 879 D CA -0.274 53.690 54.000 -0.060 0.000 0.915 879 D CB 0.223 40.984 40.800 -0.066 0.000 1.028 879 D HN 0.234 nan 8.370 nan 0.000 0.508 880 H N 2.738 121.600 119.070 -0.346 0.000 2.439 880 H HA 0.337 4.900 4.556 0.011 0.000 0.239 880 H C -2.142 173.170 175.328 -0.026 0.000 1.432 880 H CA -1.696 53.996 56.048 -0.592 0.000 1.373 880 H CB 0.755 30.008 29.762 -0.849 0.000 1.463 880 H HN 0.216 nan 8.280 nan 0.000 0.530 881 P HA -0.091 nan 4.420 nan 0.000 0.204 881 P C 0.778 178.197 177.300 0.198 0.000 1.215 881 P CA 0.760 63.916 63.100 0.092 0.000 0.908 881 P CB 0.376 32.148 31.700 0.121 0.000 0.738 882 H N -0.980 118.208 119.070 0.196 0.000 2.460 882 H HA -0.016 4.546 4.556 0.011 0.000 0.297 882 H C 0.475 175.875 175.328 0.120 0.000 1.103 882 H CA 0.282 56.392 56.048 0.104 0.000 1.292 882 H CB -1.695 28.085 29.762 0.030 0.000 1.376 882 H HN 0.083 nan 8.280 nan 0.000 0.531 883 F N 2.074 122.117 119.950 0.155 0.000 2.514 883 F HA -0.126 4.408 4.527 0.011 0.000 0.399 883 F C 1.850 177.700 175.800 0.084 0.000 1.011 883 F CA 0.430 58.501 58.000 0.119 0.000 1.109 883 F CB 0.010 39.109 39.000 0.166 0.000 0.980 883 F HN 0.325 nan 8.300 nan 0.000 0.538 884 E N 2.673 122.963 120.200 0.151 0.000 2.233 884 E HA -0.210 4.146 4.350 0.011 0.000 0.199 884 E C 1.851 178.527 176.600 0.125 0.000 1.004 884 E CA 1.282 57.739 56.400 0.095 0.000 0.819 884 E CB -0.110 29.613 29.700 0.039 0.000 0.738 884 E HN 0.992 nan 8.360 nan 0.000 0.478 885 G N -0.240 108.676 108.800 0.193 0.000 2.296 885 G HA2 -0.193 3.774 3.960 0.011 0.000 0.188 885 G HA3 -0.193 3.774 3.960 0.011 0.000 0.188 885 G C 0.143 175.126 174.900 0.140 0.000 1.000 885 G CA 0.023 45.228 45.100 0.175 0.000 0.672 885 G HN 0.173 nan 8.290 nan 0.000 0.483 886 L N 2.600 123.899 121.223 0.127 0.000 2.578 886 L HA 0.130 4.476 4.340 0.011 0.000 0.279 886 L C 0.338 177.284 176.870 0.126 0.000 1.227 886 L CA -0.198 54.703 54.840 0.101 0.000 0.900 886 L CB 0.171 42.274 42.059 0.074 0.000 1.144 886 L HN 0.196 nan 8.230 nan 0.000 0.496 887 D N 1.716 122.174 120.400 0.096 0.000 3.450 887 D HA -0.211 4.436 4.640 0.011 0.000 0.202 887 D C 0.773 177.154 176.300 0.136 0.000 1.070 887 D CA 0.484 54.538 54.000 0.089 0.000 0.743 887 D CB 0.473 41.318 40.800 0.075 0.000 1.157 887 D HN 0.722 nan 8.370 nan 0.000 0.557 888 c N 3.204 121.867 118.600 0.106 0.000 2.526 888 c HA -0.036 4.541 4.570 0.011 0.000 0.286 888 c C 1.403 175.681 174.090 0.314 0.000 1.416 888 c CA 0.040 56.469 56.329 0.167 0.000 1.671 888 c CB -1.298 41.203 42.510 -0.015 0.000 1.650 888 c HN 0.563 nan 8.230 nan 0.000 0.590 889 E N -0.466 119.842 120.200 0.181 0.000 2.734 889 E HA 0.159 4.516 4.350 0.011 0.000 0.211 889 E C 1.340 177.920 176.600 -0.033 0.000 0.991 889 E CA -0.176 56.229 56.400 0.007 0.000 1.065 889 E CB 0.065 29.734 29.700 -0.052 0.000 1.047 889 E HN 0.788 nan 8.360 nan 0.000 0.470 890 I N 0.939 121.610 120.570 0.167 0.000 3.251 890 I HA -0.087 4.090 4.170 0.011 0.000 0.277 890 I C 1.180 177.524 176.117 0.378 0.000 1.268 890 I CA 0.419 61.870 61.300 0.251 0.000 1.449 890 I CB 0.060 38.225 38.000 0.276 0.000 1.083 890 I HN 0.184 nan 8.210 nan 0.000 0.464 891 F N 0.482 120.587 119.950 0.257 0.000 2.804 891 F HA 0.228 4.762 4.527 0.011 0.000 0.303 891 F C 1.109 177.113 175.800 0.340 0.000 1.154 891 F CA 0.096 58.286 58.000 0.316 0.000 1.401 891 F CB -0.521 38.658 39.000 0.298 0.000 1.106 891 F HN 0.043 nan 8.300 nan 0.000 0.568 892 E N 0.843 120.918 120.200 -0.208 0.000 2.758 892 E HA 0.373 4.730 4.350 0.011 0.000 0.215 892 E C 0.337 176.881 176.600 -0.093 0.000 0.985 892 E CA -0.335 55.927 56.400 -0.230 0.000 1.102 892 E CB 0.801 30.213 29.700 -0.480 0.000 1.042 892 E HN 0.355 nan 8.360 nan 0.000 0.480 893 A N 2.642 125.468 122.820 0.010 0.000 2.425 893 A HA 0.219 4.545 4.320 0.011 0.000 0.249 893 A C -1.338 176.128 177.584 -0.197 0.000 1.084 893 A CA -0.987 51.015 52.037 -0.059 0.000 0.781 893 A CB 0.182 19.203 19.000 0.035 0.000 1.019 893 A HN -0.035 nan 8.150 nan 0.000 0.490 894 P HA -0.105 nan 4.420 nan 0.000 0.224 894 P C 0.808 177.859 177.300 -0.414 0.000 1.157 894 P CA 0.812 63.761 63.100 -0.251 0.000 0.799 894 P CB 0.194 31.784 31.700 -0.183 0.000 0.809 895 E N 0.585 120.426 120.200 -0.599 0.000 2.086 895 E HA -0.181 4.176 4.350 0.011 0.000 0.205 895 E C -0.396 175.537 176.600 -1.112 0.000 1.027 895 E CA 1.910 57.722 56.400 -0.978 0.000 0.830 895 E CB -2.282 26.446 29.700 -1.621 0.000 0.751 895 E HN 0.406 nan 8.360 nan 0.000 0.456 896 P HA -0.154 nan 4.420 nan 0.000 0.213 896 P C 1.805 178.834 177.300 -0.452 0.000 1.170 896 P CA 1.530 64.153 63.100 -0.796 0.000 0.898 896 P CB -0.195 30.982 31.700 -0.872 0.000 0.787 897 M N -1.241 118.149 119.600 -0.351 0.000 2.084 897 M HA -0.160 4.326 4.480 0.011 0.000 0.259 897 M C 2.034 178.211 176.300 -0.206 0.000 1.072 897 M CA 2.431 57.605 55.300 -0.210 0.000 1.107 897 M CB -1.915 30.598 32.600 -0.145 0.000 1.299 897 M HN -0.086 nan 8.290 nan 0.000 0.413 898 T N 0.525 114.933 114.554 -0.243 0.000 2.869 898 T HA -0.139 4.217 4.350 0.011 0.000 0.270 898 T C 1.702 176.230 174.700 -0.287 0.000 1.082 898 T CA 1.006 62.968 62.100 -0.229 0.000 1.123 898 T CB -0.145 68.570 68.868 -0.254 0.000 0.856 898 T HN 0.252 nan 8.240 nan 0.000 0.499 899 M N 0.307 119.708 119.600 -0.331 0.000 2.447 899 M HA 0.264 4.751 4.480 0.011 0.000 0.264 899 M C 2.310 178.467 176.300 -0.238 0.000 1.095 899 M CA 0.587 55.696 55.300 -0.319 0.000 1.125 899 M CB -0.720 31.710 32.600 -0.284 0.000 1.389 899 M HN 0.316 nan 8.290 nan 0.000 0.459 900 A N -0.705 122.005 122.820 -0.184 0.000 1.942 900 A HA 0.009 4.336 4.320 0.011 0.000 0.209 900 A C 1.911 179.437 177.584 -0.097 0.000 1.214 900 A CA 0.334 52.295 52.037 -0.126 0.000 0.686 900 A CB -0.719 18.222 19.000 -0.098 0.000 0.871 900 A HN 0.372 nan 8.150 nan 0.000 0.460 901 L N 0.404 121.586 121.223 -0.069 0.000 2.129 901 L HA -0.149 4.197 4.340 0.011 0.000 0.212 901 L C 2.314 179.178 176.870 -0.009 0.000 1.087 901 L CA 2.428 57.272 54.840 0.005 0.000 0.757 901 L CB -0.355 41.752 42.059 0.079 0.000 0.896 901 L HN 0.294 nan 8.230 nan 0.000 0.434 902 S N -1.721 113.942 115.700 -0.062 0.000 2.377 902 S HA -0.085 4.392 4.470 0.011 0.000 0.223 902 S C 1.914 176.466 174.600 -0.080 0.000 1.030 902 S CA 1.103 59.251 58.200 -0.086 0.000 0.970 902 S CB -0.213 62.696 63.200 -0.486 0.000 0.830 902 S HN 0.311 nan 8.310 nan 0.000 0.473 903 V N 2.116 121.962 119.914 -0.114 0.000 2.295 903 V HA -0.152 3.975 4.120 0.011 0.000 0.246 903 V C 2.253 178.321 176.094 -0.044 0.000 1.049 903 V CA 1.389 63.651 62.300 -0.064 0.000 1.024 903 V CB -0.611 31.155 31.823 -0.095 0.000 0.648 903 V HN 0.308 nan 8.190 nan 0.000 0.447 904 L N -0.184 121.002 121.223 -0.062 0.000 1.933 904 L HA -0.194 4.153 4.340 0.011 0.000 0.220 904 L C 2.418 179.249 176.870 -0.066 0.000 1.078 904 L CA 2.072 56.876 54.840 -0.060 0.000 0.773 904 L CB -0.917 41.111 42.059 -0.052 0.000 0.890 904 L HN 0.126 nan 8.230 nan 0.000 0.434 905 V N -0.624 119.229 119.914 -0.102 0.000 2.222 905 V HA -0.444 3.683 4.120 0.011 0.000 0.252 905 V C 2.476 178.526 176.094 -0.074 0.000 1.060 905 V CA 2.605 64.818 62.300 -0.146 0.000 1.027 905 V CB -1.130 30.479 31.823 -0.357 0.000 0.644 905 V HN 0.635 nan 8.190 nan 0.000 0.448 906 T N -0.247 114.289 114.554 -0.030 0.000 2.653 906 T HA -0.272 4.084 4.350 0.011 0.000 0.268 906 T C 1.814 176.538 174.700 0.039 0.000 1.035 906 T CA 2.278 64.404 62.100 0.043 0.000 1.154 906 T CB -0.402 68.556 68.868 0.150 0.000 0.862 906 T HN 0.444 nan 8.240 nan 0.000 0.441 907 I N 0.562 121.150 120.570 0.029 0.000 2.394 907 I HA -0.141 4.036 4.170 0.011 0.000 0.251 907 I C 2.458 178.594 176.117 0.032 0.000 1.136 907 I CA 1.460 62.786 61.300 0.043 0.000 1.425 907 I CB -0.137 37.894 38.000 0.052 0.000 1.079 907 I HN 0.336 nan 8.210 nan 0.000 0.425 908 E N 0.251 120.453 120.200 0.004 0.000 2.072 908 E HA -0.223 4.134 4.350 0.011 0.000 0.191 908 E C 2.162 178.842 176.600 0.133 0.000 0.985 908 E CA 1.141 57.546 56.400 0.009 0.000 0.801 908 E CB -0.104 29.564 29.700 -0.054 0.000 0.750 908 E HN 0.443 nan 8.360 nan 0.000 0.452 909 M N 0.350 119.998 119.600 0.080 0.000 2.159 909 M HA -0.146 4.341 4.480 0.011 0.000 0.263 909 M C 2.435 178.776 176.300 0.070 0.000 1.063 909 M CA 1.002 56.344 55.300 0.070 0.000 1.110 909 M CB -1.187 31.427 32.600 0.023 0.000 1.374 909 M HN 0.255 nan 8.290 nan 0.000 0.411 910 C N 0.152 119.491 119.300 0.065 0.000 2.435 910 C HA -0.089 4.378 4.460 0.011 0.000 0.279 910 C C 2.487 177.518 174.990 0.068 0.000 1.321 910 C CA 0.860 59.910 59.018 0.053 0.000 1.752 910 C CB -1.540 26.227 27.740 0.046 0.000 1.959 910 C HN 0.588 nan 8.230 nan 0.000 0.500 911 N N 1.216 119.982 118.700 0.110 0.000 2.309 911 N HA -0.039 4.708 4.740 0.011 0.000 0.182 911 N C 1.698 177.361 175.510 0.255 0.000 1.018 911 N CA 1.402 54.538 53.050 0.144 0.000 0.876 911 N CB -0.217 38.319 38.487 0.081 0.000 0.972 911 N HN 0.463 nan 8.380 nan 0.000 0.434 912 A N 0.410 123.378 122.820 0.246 0.000 1.933 912 A HA -0.050 4.277 4.320 0.011 0.000 0.218 912 A C 2.071 179.614 177.584 -0.069 0.000 1.175 912 A CA 0.868 52.831 52.037 -0.124 0.000 0.628 912 A CB -0.729 18.077 19.000 -0.324 0.000 0.814 912 A HN 0.355 nan 8.150 nan 0.000 0.444 913 L N -0.019 121.196 121.223 -0.014 0.000 2.450 913 L HA -0.114 4.233 4.340 0.011 0.000 0.224 913 L C 1.465 178.331 176.870 -0.007 0.000 1.149 913 L CA 0.502 55.330 54.840 -0.019 0.000 0.816 913 L CB -0.481 41.574 42.059 -0.007 0.000 0.932 913 L HN 0.383 nan 8.230 nan 0.000 0.449 914 N N -1.168 117.546 118.700 0.023 0.000 2.353 914 N HA 0.000 4.747 4.740 0.011 0.000 0.185 914 N C 1.311 176.847 175.510 0.043 0.000 1.098 914 N CA 0.389 53.459 53.050 0.033 0.000 0.872 914 N CB 0.579 39.092 38.487 0.045 0.000 0.970 914 N HN 0.097 nan 8.380 nan 0.000 0.467 915 S N 0.438 116.158 115.700 0.034 0.000 2.597 915 S HA 0.274 4.751 4.470 0.011 0.000 0.224 915 S C 1.542 176.149 174.600 0.012 0.000 0.955 915 S CA -0.231 57.990 58.200 0.035 0.000 0.933 915 S CB 0.237 63.450 63.200 0.022 0.000 0.788 915 S HN 0.241 nan 8.310 nan 0.000 0.488 916 L N 0.908 122.129 121.223 -0.003 0.000 2.610 916 L HA 0.199 4.545 4.340 0.011 0.000 0.232 916 L C 1.012 177.884 176.870 0.002 0.000 1.149 916 L CA 0.183 55.017 54.840 -0.010 0.000 0.872 916 L CB 0.068 42.102 42.059 -0.043 0.000 0.992 916 L HN 0.267 nan 8.230 nan 0.000 0.447 917 S N -1.918 113.795 115.700 0.021 0.000 2.656 917 S HA 0.123 4.600 4.470 0.011 0.000 0.265 917 S C 0.095 174.730 174.600 0.058 0.000 1.132 917 S CA -0.543 57.676 58.200 0.033 0.000 0.819 917 S CB 1.219 64.431 63.200 0.020 0.000 1.119 917 S HN 0.151 nan 8.310 nan 0.000 0.476 918 E N 0.055 120.298 120.200 0.072 0.000 2.306 918 E HA 0.298 4.655 4.350 0.011 0.000 0.201 918 E C 0.817 177.492 176.600 0.125 0.000 0.874 918 E CA 0.249 56.712 56.400 0.104 0.000 0.972 918 E CB 0.104 29.870 29.700 0.111 0.000 0.957 918 E HN 0.677 nan 8.360 nan 0.000 0.492 919 N N -0.523 118.236 118.700 0.100 0.000 2.168 919 N HA 0.065 4.811 4.740 0.011 0.000 0.216 919 N C -0.433 175.121 175.510 0.073 0.000 1.259 919 N CA -0.276 52.835 53.050 0.103 0.000 0.902 919 N CB 0.949 39.483 38.487 0.079 0.000 1.079 919 N HN -0.052 nan 8.380 nan 0.000 0.507 920 Q N 1.411 121.243 119.800 0.052 0.000 2.314 920 Q HA 0.138 4.484 4.340 0.011 0.000 0.258 920 Q C 0.012 176.034 176.000 0.037 0.000 0.954 920 Q CA 0.162 55.986 55.803 0.034 0.000 0.890 920 Q CB 1.639 30.385 28.738 0.013 0.000 1.210 920 Q HN 0.063 nan 8.270 nan 0.000 0.410 921 S N 1.743 117.467 115.700 0.041 0.000 2.573 921 S HA 0.033 4.510 4.470 0.011 0.000 0.277 921 S C 1.135 175.731 174.600 -0.007 0.000 1.346 921 S CA -0.346 57.877 58.200 0.040 0.000 1.034 921 S CB 0.332 63.566 63.200 0.055 0.000 0.879 921 S HN 0.694 nan 8.310 nan 0.000 0.528 922 L N 3.315 124.530 121.223 -0.014 0.000 2.622 922 L HA 0.031 4.378 4.340 0.011 0.000 0.233 922 L C 1.804 178.619 176.870 -0.093 0.000 1.156 922 L CA 0.524 55.329 54.840 -0.058 0.000 0.866 922 L CB -0.170 41.866 42.059 -0.038 0.000 0.980 922 L HN 0.785 nan 8.230 nan 0.000 0.448 923 M N -1.432 118.136 119.600 -0.052 0.000 2.534 923 M HA 0.018 4.505 4.480 0.011 0.000 0.263 923 M C 1.940 178.204 176.300 -0.060 0.000 1.152 923 M CA 1.122 56.393 55.300 -0.048 0.000 1.145 923 M CB 0.081 32.683 32.600 0.002 0.000 1.333 923 M HN -0.098 nan 8.290 nan 0.000 0.477 924 R N -0.202 120.269 120.500 -0.047 0.000 2.080 924 R HA 0.224 4.571 4.340 0.011 0.000 0.222 924 R C 0.103 176.348 176.300 -0.092 0.000 1.107 924 R CA 1.073 57.148 56.100 -0.041 0.000 0.980 924 R CB 0.150 30.443 30.300 -0.011 0.000 0.879 924 R HN 0.212 nan 8.270 nan 0.000 0.439 925 M N 2.242 121.768 119.600 -0.123 0.000 2.741 925 M HA 0.331 4.818 4.480 0.011 0.000 0.283 925 M C -2.305 173.810 176.300 -0.308 0.000 1.176 925 M CA -2.132 53.062 55.300 -0.175 0.000 1.139 925 M CB 1.330 33.867 32.600 -0.105 0.000 1.234 925 M HN -0.210 nan 8.290 nan 0.000 0.497 926 P HA -0.082 nan 4.420 nan 0.000 0.268 926 P C -1.665 175.187 177.300 -0.746 0.000 1.189 926 P CA -0.330 62.168 63.100 -1.002 0.000 0.771 926 P CB 0.022 30.373 31.700 -2.250 0.000 0.822 927 P HA -0.129 nan 4.420 nan 0.000 0.221 927 P C 0.730 177.961 177.300 -0.115 0.000 1.150 927 P CA 1.467 64.450 63.100 -0.196 0.000 0.800 927 P CB -0.327 31.349 31.700 -0.040 0.000 0.787 928 W N -0.414 120.871 121.300 -0.024 0.000 3.204 928 W HA 0.223 4.890 4.660 0.011 0.000 0.249 928 W C 1.043 177.539 176.519 -0.038 0.000 1.322 928 W CA -0.264 57.056 57.345 -0.041 0.000 1.593 928 W CB -1.755 27.678 29.460 -0.046 0.000 1.122 928 W HN -0.335 nan 8.180 nan 0.000 0.710 929 V N 1.745 121.517 119.914 -0.236 0.000 2.626 929 V HA -0.203 3.924 4.120 0.011 0.000 0.252 929 V C 1.059 177.152 176.094 -0.001 0.000 1.067 929 V CA 1.774 63.999 62.300 -0.126 0.000 1.081 929 V CB -0.739 30.973 31.823 -0.186 0.000 0.686 929 V HN 0.338 nan 8.190 nan 0.000 0.468 930 N N 0.722 119.425 118.700 0.005 0.000 2.898 930 N HA 0.172 4.918 4.740 0.011 0.000 0.245 930 N C 0.818 176.329 175.510 0.002 0.000 1.185 930 N CA -0.229 52.855 53.050 0.057 0.000 0.879 930 N CB 0.684 39.221 38.487 0.084 0.000 1.157 930 N HN 0.028 nan 8.380 nan 0.000 0.503 931 I N 0.941 121.448 120.570 -0.105 0.000 2.194 931 I HA -0.269 3.908 4.170 0.011 0.000 0.246 931 I C 1.432 177.386 176.117 -0.271 0.000 1.093 931 I CA 1.304 62.460 61.300 -0.241 0.000 1.355 931 I CB -0.794 36.934 38.000 -0.453 0.000 1.046 931 I HN 0.542 nan 8.210 nan 0.000 0.413 932 W N 0.482 121.744 121.300 -0.063 0.000 2.331 932 W HA -0.228 4.438 4.660 0.009 0.000 0.291 932 W C 2.476 178.912 176.519 -0.137 0.000 1.214 932 W CA 0.229 57.482 57.345 -0.154 0.000 1.228 932 W CB -0.657 28.634 29.460 -0.282 0.000 1.135 932 W HN 0.125 nan 8.180 nan 0.000 0.537 933 L N 0.123 121.401 121.223 0.091 0.000 2.044 933 L HA -0.089 4.258 4.340 0.011 0.000 0.205 933 L C 2.152 179.013 176.870 -0.014 0.000 1.075 933 L CA 1.759 56.611 54.840 0.019 0.000 0.747 933 L CB -1.002 41.058 42.059 0.002 0.000 0.903 933 L HN -0.016 nan 8.230 nan 0.000 0.435 934 L N -0.548 120.665 121.223 -0.017 0.000 1.970 934 L HA -0.168 4.178 4.340 0.011 0.000 0.212 934 L C 2.565 179.417 176.870 -0.031 0.000 1.071 934 L CA 1.581 56.409 54.840 -0.021 0.000 0.751 934 L CB -1.732 40.319 42.059 -0.014 0.000 0.889 934 L HN 0.463 nan 8.230 nan 0.000 0.432 935 G N -1.214 107.556 108.800 -0.050 0.000 2.475 935 G HA2 -0.300 3.667 3.960 0.011 0.000 0.220 935 G HA3 -0.300 3.667 3.960 0.011 0.000 0.220 935 G C 1.814 176.703 174.900 -0.018 0.000 1.125 935 G CA 1.147 46.222 45.100 -0.043 0.000 0.755 935 G HN 0.340 nan 8.290 nan 0.000 0.565 936 S N -0.213 115.479 115.700 -0.013 0.000 2.368 936 S HA 0.008 4.485 4.470 0.011 0.000 0.224 936 S C 2.356 176.938 174.600 -0.030 0.000 1.029 936 S CA 0.737 58.922 58.200 -0.025 0.000 0.988 936 S CB -0.200 62.977 63.200 -0.038 0.000 0.838 936 S HN 0.403 nan 8.310 nan 0.000 0.462 937 I N 0.732 121.284 120.570 -0.030 0.000 2.133 937 I HA -0.232 3.944 4.170 0.011 0.000 0.238 937 I C 2.505 178.619 176.117 -0.005 0.000 1.074 937 I CA 1.008 62.295 61.300 -0.022 0.000 1.342 937 I CB -0.675 37.314 38.000 -0.018 0.000 1.053 937 I HN 0.379 nan 8.210 nan 0.000 0.404 938 C N 0.556 119.853 119.300 -0.005 0.000 2.385 938 C HA -0.215 4.252 4.460 0.011 0.000 0.275 938 C C 2.790 177.790 174.990 0.018 0.000 1.207 938 C CA 0.915 59.935 59.018 0.004 0.000 1.760 938 C CB -1.177 26.554 27.740 -0.014 0.000 2.051 938 C HN 0.541 nan 8.230 nan 0.000 0.467 939 L N 1.059 122.286 121.223 0.006 0.000 2.012 939 L HA -0.111 4.235 4.340 0.011 0.000 0.210 939 L C 2.541 179.428 176.870 0.029 0.000 1.073 939 L CA 2.305 57.154 54.840 0.016 0.000 0.748 939 L CB -1.141 40.918 42.059 0.001 0.000 0.891 939 L HN 0.271 nan 8.230 nan 0.000 0.431 940 S N -1.190 114.512 115.700 0.005 0.000 2.370 940 S HA -0.218 4.258 4.470 0.011 0.000 0.226 940 S C 1.946 176.577 174.600 0.051 0.000 1.033 940 S CA 1.804 59.997 58.200 -0.011 0.000 1.011 940 S CB -0.308 62.862 63.200 -0.049 0.000 0.852 940 S HN 0.484 nan 8.310 nan 0.000 0.457 941 M N 1.206 120.846 119.600 0.066 0.000 2.059 941 M HA -0.041 4.446 4.480 0.011 0.000 0.259 941 M C 2.257 178.698 176.300 0.235 0.000 1.072 941 M CA 1.581 56.954 55.300 0.121 0.000 1.117 941 M CB -0.840 31.831 32.600 0.119 0.000 1.320 941 M HN 0.159 nan 8.290 nan 0.000 0.408 942 S N 0.253 116.071 115.700 0.196 0.000 2.380 942 S HA -0.185 4.292 4.470 0.011 0.000 0.229 942 S C 1.726 176.452 174.600 0.210 0.000 1.043 942 S CA 1.437 59.750 58.200 0.188 0.000 1.038 942 S CB -0.649 62.603 63.200 0.087 0.000 0.872 942 S HN 0.363 nan 8.310 nan 0.000 0.456 943 L N 0.527 121.872 121.223 0.204 0.000 2.265 943 L HA -0.052 4.295 4.340 0.011 0.000 0.215 943 L C 1.982 179.139 176.870 0.478 0.000 1.117 943 L CA 1.633 56.640 54.840 0.278 0.000 0.782 943 L CB -0.613 41.566 42.059 0.200 0.000 0.914 943 L HN 0.360 nan 8.230 nan 0.000 0.441 944 H N -2.132 117.129 119.070 0.318 0.000 2.306 944 H HA -0.056 4.506 4.556 0.011 0.000 0.307 944 H C 1.980 177.364 175.328 0.093 0.000 1.061 944 H CA 1.461 57.698 56.048 0.316 0.000 1.359 944 H CB -0.268 29.611 29.762 0.196 0.000 1.407 944 H HN 0.175 nan 8.280 nan 0.000 0.517 945 F N -0.063 119.930 119.950 0.072 0.000 2.184 945 F HA -0.183 4.351 4.527 0.011 0.000 0.301 945 F C 2.253 177.983 175.800 -0.116 0.000 1.076 945 F CA 0.818 58.751 58.000 -0.113 0.000 1.295 945 F CB -0.566 38.290 39.000 -0.241 0.000 1.026 945 F HN 0.202 nan 8.300 nan 0.000 0.494 946 L N -0.802 120.495 121.223 0.123 0.000 2.083 946 L HA -0.171 4.175 4.340 0.011 0.000 0.209 946 L C 2.111 178.944 176.870 -0.063 0.000 1.083 946 L CA 1.286 56.159 54.840 0.055 0.000 0.752 946 L CB -0.774 41.331 42.059 0.078 0.000 0.899 946 L HN 0.043 nan 8.230 nan 0.000 0.433 947 I N -1.506 118.913 120.570 -0.252 0.000 3.001 947 I HA -0.178 3.998 4.170 0.011 0.000 0.268 947 I C 1.821 177.689 176.117 -0.415 0.000 1.267 947 I CA 1.117 62.058 61.300 -0.598 0.000 1.472 947 I CB -0.029 37.168 38.000 -1.339 0.000 1.089 947 I HN 0.152 nan 8.210 nan 0.000 0.468 948 L N -2.050 119.080 121.223 -0.155 0.000 2.425 948 L HA 0.025 4.372 4.340 0.011 0.000 0.215 948 L C 1.007 178.026 176.870 0.249 0.000 1.065 948 L CA 0.347 55.219 54.840 0.054 0.000 0.842 948 L CB -0.116 42.087 42.059 0.241 0.000 1.033 948 L HN 0.124 nan 8.230 nan 0.000 0.474 949 Y N -0.864 119.421 120.300 -0.026 0.000 2.507 949 Y HA 0.251 4.807 4.550 0.011 0.000 0.254 949 Y C 0.431 176.320 175.900 -0.018 0.000 1.171 949 Y CA -0.636 57.465 58.100 0.003 0.000 1.238 949 Y CB 0.462 38.949 38.460 0.044 0.000 1.148 949 Y HN -0.257 nan 8.280 nan 0.000 0.525 950 V N 1.033 120.998 119.914 0.085 0.000 2.259 950 V HA 0.092 4.218 4.120 0.011 0.000 0.267 950 V C 0.735 176.830 176.094 0.001 0.000 1.051 950 V CA -0.762 61.560 62.300 0.038 0.000 0.830 950 V CB 0.673 32.511 31.823 0.025 0.000 1.080 950 V HN 0.185 nan 8.190 nan 0.000 0.467 951 D N 5.729 126.125 120.400 -0.007 0.000 4.742 951 D HA -0.264 4.383 4.640 0.011 0.000 0.284 951 D C -0.647 175.643 176.300 -0.018 0.000 1.470 951 D CA 3.019 57.006 54.000 -0.022 0.000 0.932 951 D CB -0.470 40.320 40.800 -0.017 0.000 0.901 951 D HN 0.482 nan 8.370 nan 0.000 0.689 952 P HA -0.090 nan 4.420 nan 0.000 0.215 952 P C 1.533 178.845 177.300 0.021 0.000 1.153 952 P CA 0.858 63.960 63.100 0.003 0.000 0.853 952 P CB 0.033 31.738 31.700 0.009 0.000 0.788 953 L N 0.501 121.733 121.223 0.015 0.000 1.943 953 L HA -0.103 4.243 4.340 0.011 0.000 0.215 953 L C -0.455 176.445 176.870 0.049 0.000 1.074 953 L CA 2.843 57.701 54.840 0.030 0.000 0.759 953 L CB -2.861 39.117 42.059 -0.136 0.000 0.888 953 L HN 0.076 nan 8.230 nan 0.000 0.433 954 P HA -0.275 nan 4.420 nan 0.000 0.218 954 P C 1.919 179.216 177.300 -0.004 0.000 1.147 954 P CA 1.913 64.978 63.100 -0.058 0.000 0.827 954 P CB -0.166 31.480 31.700 -0.091 0.000 0.778 955 M N -0.666 118.937 119.600 0.004 0.000 2.098 955 M HA -0.076 4.410 4.480 0.011 0.000 0.262 955 M C 2.258 178.563 176.300 0.009 0.000 1.072 955 M CA 1.659 56.955 55.300 -0.006 0.000 1.133 955 M CB -0.478 32.112 32.600 -0.017 0.000 1.344 955 M HN -0.203 nan 8.290 nan 0.000 0.414 956 I N -0.056 120.541 120.570 0.045 0.000 2.264 956 I HA -0.275 3.902 4.170 0.011 0.000 0.248 956 I C 1.177 177.227 176.117 -0.111 0.000 1.111 956 I CA 1.259 62.550 61.300 -0.015 0.000 1.382 956 I CB -0.429 37.582 38.000 0.018 0.000 1.060 956 I HN 0.191 nan 8.210 nan 0.000 0.418 957 F N 1.618 121.495 119.950 -0.121 0.000 2.664 957 F HA 0.151 4.685 4.527 0.011 0.000 0.301 957 F C 0.840 176.567 175.800 -0.121 0.000 1.126 957 F CA -0.332 57.583 58.000 -0.142 0.000 1.373 957 F CB -0.309 38.536 39.000 -0.260 0.000 1.042 957 F HN -0.101 nan 8.300 nan 0.000 0.535 958 K N 0.501 120.908 120.400 0.011 0.000 3.003 958 K HA -0.217 4.110 4.320 0.011 0.000 0.257 958 K C -0.304 176.267 176.600 -0.047 0.000 0.958 958 K CA 0.568 56.838 56.287 -0.030 0.000 0.707 958 K CB -2.242 30.235 32.500 -0.039 0.000 1.279 958 K HN 0.396 nan 8.250 nan 0.000 0.479 959 L N -0.698 120.498 121.223 -0.044 0.000 2.299 959 L HA 0.570 4.917 4.340 0.011 0.000 0.268 959 L C 0.150 176.946 176.870 -0.122 0.000 1.012 959 L CA -1.093 53.687 54.840 -0.100 0.000 0.816 959 L CB 1.590 43.579 42.059 -0.117 0.000 1.355 959 L HN -0.009 nan 8.230 nan 0.000 0.457 960 K N 0.449 120.754 120.400 -0.158 0.000 2.565 960 K HA 0.572 4.899 4.320 0.011 0.000 0.251 960 K C -0.920 175.583 176.600 -0.162 0.000 0.956 960 K CA -0.522 55.672 56.287 -0.155 0.000 0.809 960 K CB 1.895 34.299 32.500 -0.161 0.000 1.267 960 K HN 0.677 nan 8.250 nan 0.000 0.438 961 A N 3.162 125.891 122.820 -0.153 0.000 2.639 961 A HA 0.079 4.405 4.320 0.011 0.000 0.229 961 A C -0.498 177.044 177.584 -0.071 0.000 1.062 961 A CA 0.369 52.337 52.037 -0.115 0.000 0.761 961 A CB -0.041 18.734 19.000 -0.376 0.000 0.988 961 A HN 0.511 nan 8.150 nan 0.000 0.510 962 L N 1.654 122.899 121.223 0.037 0.000 2.344 962 L HA 0.340 4.686 4.340 0.011 0.000 0.272 962 L C 0.513 177.475 176.870 0.153 0.000 1.035 962 L CA -0.162 54.651 54.840 -0.045 0.000 0.807 962 L CB 1.113 42.917 42.059 -0.424 0.000 1.237 962 L HN 0.672 nan 8.230 nan 0.000 0.442 963 D N 0.990 121.463 120.400 0.121 0.000 2.382 963 D HA 0.065 4.712 4.640 0.011 0.000 0.240 963 D C 0.927 177.393 176.300 0.275 0.000 1.146 963 D CA -0.127 53.981 54.000 0.179 0.000 0.897 963 D CB 1.137 42.030 40.800 0.154 0.000 1.197 963 D HN 0.280 nan 8.370 nan 0.000 0.432 964 L N 1.470 122.846 121.223 0.255 0.000 2.642 964 L HA -0.077 4.270 4.340 0.011 0.000 0.236 964 L C 2.011 179.019 176.870 0.230 0.000 1.169 964 L CA 1.170 56.168 54.840 0.263 0.000 0.851 964 L CB -0.670 41.494 42.059 0.174 0.000 0.968 964 L HN 0.348 nan 8.230 nan 0.000 0.453 965 T N -2.742 111.938 114.554 0.211 0.000 3.026 965 T HA 0.004 4.361 4.350 0.011 0.000 0.245 965 T C 1.745 176.554 174.700 0.181 0.000 1.004 965 T CA 0.114 62.322 62.100 0.180 0.000 1.069 965 T CB 0.198 69.160 68.868 0.157 0.000 1.005 965 T HN 0.265 nan 8.240 nan 0.000 0.472 966 Q N 0.059 119.968 119.800 0.181 0.000 2.167 966 Q HA -0.068 4.279 4.340 0.011 0.000 0.202 966 Q C 1.804 177.814 176.000 0.018 0.000 0.970 966 Q CA 1.219 57.087 55.803 0.109 0.000 0.855 966 Q CB -0.141 28.652 28.738 0.092 0.000 0.911 966 Q HN 0.577 nan 8.270 nan 0.000 0.438 967 W N 0.882 122.226 121.300 0.074 0.000 2.358 967 W HA -0.118 4.549 4.660 0.011 0.000 0.303 967 W C 1.764 178.298 176.519 0.025 0.000 1.208 967 W CA 0.582 57.967 57.345 0.066 0.000 1.274 967 W CB -0.039 29.505 29.460 0.140 0.000 1.138 967 W HN 0.091 nan 8.180 nan 0.000 0.515 968 L N -0.034 121.359 121.223 0.283 0.000 2.349 968 L HA -0.241 4.106 4.340 0.011 0.000 0.220 968 L C 2.276 179.175 176.870 0.048 0.000 1.130 968 L CA 0.646 55.580 54.840 0.156 0.000 0.791 968 L CB -0.484 41.649 42.059 0.124 0.000 0.918 968 L HN 0.105 nan 8.230 nan 0.000 0.444 969 M N -1.089 118.485 119.600 -0.043 0.000 2.288 969 M HA -0.064 4.423 4.480 0.011 0.000 0.266 969 M C 1.877 178.057 176.300 -0.201 0.000 1.072 969 M CA 1.588 56.728 55.300 -0.266 0.000 1.132 969 M CB -0.114 32.114 32.600 -0.621 0.000 1.386 969 M HN -0.060 nan 8.290 nan 0.000 0.432 970 V N -0.187 119.684 119.914 -0.071 0.000 2.283 970 V HA -0.193 3.933 4.120 0.011 0.000 0.243 970 V C 2.102 178.233 176.094 0.062 0.000 1.039 970 V CA 1.169 63.462 62.300 -0.012 0.000 1.016 970 V CB -0.834 31.034 31.823 0.075 0.000 0.650 970 V HN 0.361 nan 8.190 nan 0.000 0.449 971 L N 0.076 121.381 121.223 0.135 0.000 2.551 971 L HA -0.114 4.232 4.340 0.011 0.000 0.230 971 L C 2.158 179.062 176.870 0.057 0.000 1.163 971 L CA 1.685 56.590 54.840 0.108 0.000 0.826 971 L CB -0.825 41.305 42.059 0.118 0.000 0.943 971 L HN 0.301 nan 8.230 nan 0.000 0.452 972 K N -1.013 119.399 120.400 0.020 0.000 2.214 972 K HA 0.054 4.381 4.320 0.011 0.000 0.201 972 K C 1.849 178.452 176.600 0.005 0.000 1.049 972 K CA 0.254 56.542 56.287 0.001 0.000 0.978 972 K CB 0.289 32.765 32.500 -0.040 0.000 0.842 972 K HN 0.106 nan 8.250 nan 0.000 0.474 973 I N 1.048 121.604 120.570 -0.022 0.000 3.228 973 I HA -0.027 4.150 4.170 0.011 0.000 0.279 973 I C 1.231 177.404 176.117 0.092 0.000 1.221 973 I CA 0.954 62.258 61.300 0.006 0.000 1.458 973 I CB 0.041 37.985 38.000 -0.093 0.000 1.105 973 I HN 0.069 nan 8.210 nan 0.000 0.445 974 S N 0.649 116.394 115.700 0.074 0.000 2.398 974 S HA 0.022 4.498 4.470 0.011 0.000 0.220 974 S C 1.849 176.511 174.600 0.103 0.000 1.046 974 S CA 0.070 58.334 58.200 0.106 0.000 0.953 974 S CB -0.201 63.044 63.200 0.075 0.000 0.856 974 S HN 0.281 nan 8.310 nan 0.000 0.506 975 L N 3.371 124.636 121.223 0.071 0.000 2.089 975 L HA -0.073 4.274 4.340 0.011 0.000 0.213 975 L C -0.985 175.897 176.870 0.021 0.000 1.079 975 L CA 1.964 56.832 54.840 0.046 0.000 0.758 975 L CB -1.966 40.118 42.059 0.042 0.000 0.891 975 L HN 0.223 nan 8.230 nan 0.000 0.433 976 P HA -0.110 nan 4.420 nan 0.000 0.230 976 P C 1.916 179.113 177.300 -0.172 0.000 1.158 976 P CA 0.648 63.723 63.100 -0.042 0.000 0.769 976 P CB -0.062 31.644 31.700 0.009 0.000 0.807 977 V N 0.333 120.163 119.914 -0.140 0.000 2.490 977 V HA -0.200 3.927 4.120 0.011 0.000 0.250 977 V C 2.267 178.269 176.094 -0.153 0.000 1.061 977 V CA 1.385 63.543 62.300 -0.237 0.000 1.064 977 V CB -0.950 30.851 31.823 -0.037 0.000 0.670 977 V HN -0.082 nan 8.190 nan 0.000 0.461 978 I N 1.049 121.573 120.570 -0.077 0.000 2.208 978 I HA -0.157 4.020 4.170 0.011 0.000 0.245 978 I C 2.643 178.726 176.117 -0.057 0.000 1.097 978 I CA 1.909 63.182 61.300 -0.045 0.000 1.363 978 I CB -2.067 35.921 38.000 -0.019 0.000 1.051 978 I HN 0.425 nan 8.210 nan 0.000 0.413 979 G N 0.899 109.650 108.800 -0.081 0.000 2.402 979 G HA2 -0.215 3.752 3.960 0.011 0.000 0.216 979 G HA3 -0.215 3.752 3.960 0.011 0.000 0.216 979 G C 1.747 176.593 174.900 -0.090 0.000 1.162 979 G CA 0.564 45.619 45.100 -0.076 0.000 0.777 979 G HN 0.340 nan 8.290 nan 0.000 0.539 980 L N 0.890 122.014 121.223 -0.165 0.000 2.012 980 L HA -0.072 4.275 4.340 0.011 0.000 0.210 980 L C 2.074 178.895 176.870 -0.081 0.000 1.073 980 L CA 2.647 57.386 54.840 -0.168 0.000 0.748 980 L CB -0.540 41.325 42.059 -0.323 0.000 0.891 980 L HN 0.162 nan 8.230 nan 0.000 0.431 981 D N -0.943 119.414 120.400 -0.072 0.000 2.137 981 D HA -0.192 4.454 4.640 0.011 0.000 0.202 981 D C 2.096 178.424 176.300 0.046 0.000 0.970 981 D CA 0.975 54.968 54.000 -0.012 0.000 0.837 981 D CB 0.133 40.924 40.800 -0.014 0.000 0.981 981 D HN 0.464 nan 8.370 nan 0.000 0.475 982 E N 0.169 120.386 120.200 0.028 0.000 2.118 982 E HA -0.131 4.226 4.350 0.011 0.000 0.195 982 E C 2.163 178.827 176.600 0.107 0.000 0.992 982 E CA 0.986 57.421 56.400 0.058 0.000 0.804 982 E CB -0.278 29.434 29.700 0.021 0.000 0.741 982 E HN 0.399 nan 8.360 nan 0.000 0.458 983 I N -0.305 120.313 120.570 0.080 0.000 2.333 983 I HA -0.205 3.972 4.170 0.011 0.000 0.246 983 I C 2.216 178.477 176.117 0.241 0.000 1.106 983 I CA 0.598 61.969 61.300 0.118 0.000 1.411 983 I CB -0.202 37.827 38.000 0.048 0.000 1.082 983 I HN 0.127 nan 8.210 nan 0.000 0.420 984 L N 0.657 122.014 121.223 0.223 0.000 2.079 984 L HA -0.237 4.109 4.340 0.011 0.000 0.210 984 L C 2.574 179.717 176.870 0.454 0.000 1.081 984 L CA 1.546 56.602 54.840 0.359 0.000 0.752 984 L CB -0.535 41.652 42.059 0.213 0.000 0.896 984 L HN 0.213 nan 8.230 nan 0.000 0.433 985 K N -0.559 120.031 120.400 0.316 0.000 2.026 985 K HA -0.219 4.107 4.320 0.011 0.000 0.208 985 K C 2.052 178.810 176.600 0.263 0.000 1.048 985 K CA 1.528 57.985 56.287 0.283 0.000 0.929 985 K CB -0.329 32.288 32.500 0.195 0.000 0.713 985 K HN 0.096 nan 8.250 nan 0.000 0.439 986 F N 1.909 121.934 119.950 0.124 0.000 2.250 986 F HA -0.188 4.345 4.527 0.011 0.000 0.301 986 F C 1.690 177.548 175.800 0.096 0.000 1.077 986 F CA 1.121 59.174 58.000 0.088 0.000 1.348 986 F CB 0.015 39.055 39.000 0.067 0.000 1.040 986 F HN -0.052 nan 8.300 nan 0.000 0.509 987 I N -0.339 120.383 120.570 0.253 0.000 2.185 987 I HA -0.199 3.978 4.170 0.011 0.000 0.235 987 I C 2.686 178.777 176.117 -0.044 0.000 1.069 987 I CA 1.066 62.459 61.300 0.155 0.000 1.354 987 I CB -1.109 37.058 38.000 0.278 0.000 1.093 987 I HN 0.068 nan 8.210 nan 0.000 0.411 988 A N 0.793 123.555 122.820 -0.097 0.000 2.076 988 A HA -0.250 4.077 4.320 0.011 0.000 0.220 988 A C 2.391 179.860 177.584 -0.191 0.000 1.160 988 A CA 1.942 53.771 52.037 -0.346 0.000 0.653 988 A CB -0.729 18.215 19.000 -0.092 0.000 0.801 988 A HN 0.459 nan 8.150 nan 0.000 0.455 989 R N -0.936 119.496 120.500 -0.113 0.000 2.052 989 R HA -0.014 4.332 4.340 0.011 0.000 0.224 989 R C 1.780 177.946 176.300 -0.223 0.000 1.149 989 R CA 1.281 57.296 56.100 -0.142 0.000 0.962 989 R CB -0.293 29.942 30.300 -0.108 0.000 0.856 989 R HN 0.471 nan 8.270 nan 0.000 0.433 990 N N -0.554 117.937 118.700 -0.349 0.000 2.305 990 N HA -0.112 4.634 4.740 0.011 0.000 0.179 990 N C 1.593 176.982 175.510 -0.203 0.000 1.019 990 N CA 0.830 53.664 53.050 -0.359 0.000 0.869 990 N CB -0.206 37.866 38.487 -0.690 0.000 1.000 990 N HN 0.184 nan 8.380 nan 0.000 0.431 991 Y N 2.387 122.515 120.300 -0.287 0.000 2.109 991 Y HA -0.013 4.543 4.550 0.011 0.000 0.281 991 Y C 2.092 177.858 175.900 -0.224 0.000 1.113 991 Y CA 1.247 59.222 58.100 -0.208 0.000 1.098 991 Y CB -0.702 37.654 38.460 -0.173 0.000 0.996 991 Y HN -0.135 nan 8.280 nan 0.000 0.485 992 L N 0.201 121.125 121.223 -0.498 0.000 1.863 992 L HA -0.101 4.246 4.340 0.011 0.000 0.225 992 L C 1.670 178.304 176.870 -0.393 0.000 1.098 992 L CA 1.269 55.755 54.840 -0.589 0.000 0.814 992 L CB -1.101 40.612 42.059 -0.576 0.000 0.888 992 L HN 0.320 nan 8.230 nan 0.000 0.431 993 E N -0.156 119.869 120.200 -0.293 0.000 3.136 993 E HA 0.376 4.733 4.350 0.011 0.000 0.271 993 E C 0.449 176.942 176.600 -0.177 0.000 1.454 993 E CA -0.175 56.103 56.400 -0.202 0.000 1.194 993 E CB -0.092 29.519 29.700 -0.149 0.000 1.175 993 E HN 0.466 nan 8.360 nan 0.000 0.726 994 G N 0.000 108.722 108.800 -0.130 0.000 5.446 994 G HA2 0.000 3.967 3.960 0.011 0.000 0.244 994 G HA3 0.000 3.967 3.960 0.011 0.000 0.244 994 G CA 0.000 45.033 45.100 -0.112 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925