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 1wpg_1_C 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 0.000 176.174 176.300 -0.211 0.000 1.140 1 M CA 0.000 55.092 55.300 -0.347 0.000 0.988 1 M CB 0.000 32.258 32.600 -0.571 0.000 1.302 2 E N 2.266 122.353 120.200 -0.189 0.000 2.280 2 E HA 0.735 5.090 4.350 0.008 0.000 0.261 2 E C 0.629 177.172 176.600 -0.095 0.000 1.088 2 E CA 0.300 56.651 56.400 -0.083 0.000 0.915 2 E CB 1.195 30.875 29.700 -0.033 0.000 1.141 2 E HN 0.891 nan 8.360 nan 0.000 0.433 3 A N 0.554 123.368 122.820 -0.009 0.000 2.783 3 A HA -0.290 4.035 4.320 0.008 0.000 0.292 3 A C 1.381 178.888 177.584 -0.128 0.000 1.495 3 A CA 1.068 53.072 52.037 -0.055 0.000 0.787 3 A CB -2.184 16.752 19.000 -0.107 0.000 1.017 3 A HN 0.680 nan 8.150 nan 0.000 0.516 4 A N 0.180 122.980 122.820 -0.033 0.000 1.972 4 A HA -0.104 4.221 4.320 0.008 0.000 0.219 4 A C 1.837 179.409 177.584 -0.021 0.000 1.169 4 A CA 1.903 53.915 52.037 -0.042 0.000 0.635 4 A CB -0.852 18.143 19.000 -0.009 0.000 0.810 4 A HN 1.529 nan 8.150 nan 0.000 0.446 5 H N -0.060 119.008 119.070 -0.005 0.000 2.457 5 H HA -0.045 4.515 4.556 0.008 0.000 0.294 5 H C 1.825 177.170 175.328 0.029 0.000 1.064 5 H CA 1.778 57.835 56.048 0.015 0.000 1.330 5 H CB -0.637 29.151 29.762 0.043 0.000 1.395 5 H HN 0.543 nan 8.280 nan 0.000 0.541 6 S N 0.112 115.409 115.700 -0.673 0.000 2.503 6 S HA 0.114 4.588 4.470 0.008 0.000 0.217 6 S C 0.841 175.335 174.600 -0.176 0.000 0.999 6 S CA -0.536 57.422 58.200 -0.402 0.000 0.914 6 S CB 0.294 63.209 63.200 -0.474 0.000 0.782 6 S HN 0.226 nan 8.310 nan 0.000 0.520 7 K N 2.528 122.840 120.400 -0.148 0.000 2.168 7 K HA 0.343 4.667 4.320 0.008 0.000 0.258 7 K C 0.444 177.025 176.600 -0.031 0.000 1.010 7 K CA -0.041 56.201 56.287 -0.075 0.000 0.929 7 K CB 0.825 33.283 32.500 -0.070 0.000 0.998 7 K HN 0.441 nan 8.250 nan 0.000 0.479 8 S N -0.098 115.596 115.700 -0.011 0.000 2.681 8 S HA 0.057 4.532 4.470 0.008 0.000 0.270 8 S C 1.254 175.865 174.600 0.019 0.000 1.209 8 S CA -0.576 57.629 58.200 0.008 0.000 0.988 8 S CB 1.383 64.588 63.200 0.008 0.000 1.006 8 S HN 0.560 nan 8.310 nan 0.000 0.558 9 T N 1.163 115.732 114.554 0.026 0.000 2.684 9 T HA -0.104 4.251 4.350 0.008 0.000 0.267 9 T C 1.565 176.288 174.700 0.039 0.000 1.036 9 T CA 2.137 64.256 62.100 0.032 0.000 1.148 9 T CB -0.716 68.169 68.868 0.028 0.000 0.863 9 T HN 0.758 nan 8.240 nan 0.000 0.436 10 E N 1.059 121.278 120.200 0.032 0.000 2.058 10 E HA -0.116 4.238 4.350 0.008 0.000 0.194 10 E C 2.242 178.873 176.600 0.051 0.000 0.997 10 E CA 1.250 57.672 56.400 0.037 0.000 0.801 10 E CB -0.178 29.537 29.700 0.025 0.000 0.746 10 E HN 0.606 nan 8.360 nan 0.000 0.450 11 E N -0.244 119.981 120.200 0.043 0.000 2.110 11 E HA -0.177 4.178 4.350 0.008 0.000 0.193 11 E C 2.103 178.756 176.600 0.088 0.000 0.988 11 E CA 1.188 57.619 56.400 0.053 0.000 0.804 11 E CB -0.199 29.517 29.700 0.026 0.000 0.745 11 E HN 0.293 nan 8.360 nan 0.000 0.458 12 C N 0.721 120.070 119.300 0.082 0.000 2.453 12 C HA -0.087 4.378 4.460 0.008 0.000 0.277 12 C C 2.617 177.754 174.990 0.244 0.000 1.262 12 C CA 0.362 59.461 59.018 0.135 0.000 1.718 12 C CB -0.893 26.910 27.740 0.105 0.000 2.031 12 C HN 0.390 nan 8.230 nan 0.000 0.480 13 L N 1.168 122.494 121.223 0.172 0.000 2.046 13 L HA -0.154 4.190 4.340 0.008 0.000 0.208 13 L C 2.864 179.845 176.870 0.184 0.000 1.077 13 L CA 1.669 56.615 54.840 0.176 0.000 0.747 13 L CB -0.740 41.379 42.059 0.101 0.000 0.896 13 L HN 0.335 nan 8.230 nan 0.000 0.432 14 A N -1.067 121.834 122.820 0.135 0.000 2.015 14 A HA -0.261 4.063 4.320 0.008 0.000 0.219 14 A C 2.153 179.794 177.584 0.095 0.000 1.163 14 A CA 1.167 53.263 52.037 0.098 0.000 0.646 14 A CB -0.761 18.277 19.000 0.064 0.000 0.806 14 A HN 0.503 nan 8.150 nan 0.000 0.448 15 Y N -1.007 119.282 120.300 -0.018 0.000 2.242 15 Y HA -0.124 4.431 4.550 0.008 0.000 0.291 15 Y C 1.464 177.229 175.900 -0.224 0.000 1.137 15 Y CA 1.799 59.800 58.100 -0.165 0.000 1.181 15 Y CB -0.169 38.115 38.460 -0.293 0.000 0.989 15 Y HN 0.277 nan 8.280 nan 0.000 0.527 16 F N -0.246 119.814 119.950 0.183 0.000 2.749 16 F HA 0.295 4.827 4.527 0.008 0.000 0.300 16 F C 1.686 177.530 175.800 0.073 0.000 1.103 16 F CA 0.433 58.513 58.000 0.134 0.000 1.342 16 F CB 0.146 39.282 39.000 0.227 0.000 1.098 16 F HN 0.061 nan 8.300 nan 0.000 0.586 17 G N 2.028 110.941 108.800 0.188 0.000 2.338 17 G HA2 -0.201 3.763 3.960 0.008 0.000 0.296 17 G HA3 -0.201 3.763 3.960 0.008 0.000 0.296 17 G C -0.437 174.539 174.900 0.125 0.000 1.040 17 G CA 0.421 45.590 45.100 0.114 0.000 1.004 17 G HN 0.320 nan 8.290 nan 0.000 0.509 18 V N -0.580 119.423 119.914 0.149 0.000 2.823 18 V HA 0.871 4.996 4.120 0.008 0.000 0.312 18 V C 0.425 176.563 176.094 0.073 0.000 1.072 18 V CA 0.034 62.396 62.300 0.103 0.000 0.937 18 V CB 2.141 34.028 31.823 0.106 0.000 1.013 18 V HN 1.042 nan 8.190 nan 0.000 0.430 19 S N 2.962 118.687 115.700 0.042 0.000 2.554 19 S HA 0.302 4.776 4.470 0.008 0.000 0.278 19 S C 0.885 175.489 174.600 0.005 0.000 1.242 19 S CA 0.201 58.414 58.200 0.021 0.000 1.051 19 S CB 1.393 64.598 63.200 0.008 0.000 0.986 19 S HN 0.968 nan 8.310 nan 0.000 0.502 20 E N 1.927 122.123 120.200 -0.008 0.000 2.265 20 E HA -0.111 4.244 4.350 0.008 0.000 0.196 20 E C 0.943 177.489 176.600 -0.091 0.000 0.996 20 E CA 1.484 57.863 56.400 -0.035 0.000 0.832 20 E CB -0.028 29.653 29.700 -0.033 0.000 0.756 20 E HN 0.839 nan 8.360 nan 0.000 0.491 21 T N -2.925 111.580 114.554 -0.082 0.000 3.134 21 T HA 0.093 4.448 4.350 0.008 0.000 0.260 21 T C 1.154 175.803 174.700 -0.084 0.000 1.027 21 T CA 0.415 62.441 62.100 -0.124 0.000 0.913 21 T CB 0.735 69.546 68.868 -0.094 0.000 1.046 21 T HN 0.119 nan 8.240 nan 0.000 0.553 22 T N -1.352 113.180 114.554 -0.037 0.000 3.254 22 T HA 0.535 4.889 4.350 0.008 0.000 0.267 22 T C 1.134 175.858 174.700 0.040 0.000 0.946 22 T CA 1.047 63.150 62.100 0.005 0.000 0.991 22 T CB 0.190 69.062 68.868 0.006 0.000 1.205 22 T HN 1.240 nan 8.240 nan 0.000 0.494 23 G N 1.586 110.405 108.800 0.032 0.000 2.757 23 G HA2 -0.049 3.915 3.960 0.008 0.000 0.638 23 G HA3 -0.049 3.915 3.960 0.008 0.000 0.638 23 G C -0.668 174.243 174.900 0.020 0.000 1.344 23 G CA -0.477 44.648 45.100 0.043 0.000 0.855 23 G HN 0.713 nan 8.290 nan 0.000 0.537 24 L N 0.832 122.054 121.223 -0.003 0.000 2.483 24 L HA 0.411 4.755 4.340 0.008 0.000 0.275 24 L C 1.857 178.708 176.870 -0.032 0.000 1.220 24 L CA 0.276 55.096 54.840 -0.033 0.000 0.833 24 L CB 0.392 42.400 42.059 -0.085 0.000 1.102 24 L HN 1.024 nan 8.230 nan 0.000 0.490 25 T N -1.518 113.009 114.554 -0.044 0.000 2.882 25 T HA 0.234 4.588 4.350 0.008 0.000 0.287 25 T C -1.926 172.745 174.700 -0.049 0.000 1.014 25 T CA -1.769 60.311 62.100 -0.033 0.000 1.049 25 T CB 1.428 70.279 68.868 -0.028 0.000 1.001 25 T HN 0.340 nan 8.240 nan 0.000 0.525 26 P HA -0.051 nan 4.420 nan 0.000 0.218 26 P C 0.975 178.250 177.300 -0.041 0.000 1.148 26 P CA 0.867 63.947 63.100 -0.032 0.000 0.822 26 P CB 0.080 31.770 31.700 -0.017 0.000 0.784 27 D N -1.115 119.261 120.400 -0.040 0.000 2.149 27 D HA -0.104 4.541 4.640 0.008 0.000 0.201 27 D C 2.029 178.287 176.300 -0.070 0.000 0.972 27 D CA 0.960 54.937 54.000 -0.039 0.000 0.835 27 D CB -0.369 40.416 40.800 -0.024 0.000 0.966 27 D HN 0.278 nan 8.370 nan 0.000 0.476 28 Q N 0.310 120.042 119.800 -0.113 0.000 2.084 28 Q HA -0.099 4.245 4.340 0.008 0.000 0.202 28 Q C 2.364 178.155 176.000 -0.347 0.000 0.978 28 Q CA 0.827 56.486 55.803 -0.242 0.000 0.844 28 Q CB 0.048 28.625 28.738 -0.268 0.000 0.898 28 Q HN 0.125 nan 8.270 nan 0.000 0.426 29 V N 1.374 121.164 119.914 -0.206 0.000 2.332 29 V HA -0.284 3.841 4.120 0.008 0.000 0.248 29 V C 2.095 178.163 176.094 -0.043 0.000 1.055 29 V CA 1.788 64.016 62.300 -0.120 0.000 1.038 29 V CB -0.415 31.368 31.823 -0.067 0.000 0.651 29 V HN 0.313 nan 8.190 nan 0.000 0.450 30 K N -0.311 120.065 120.400 -0.039 0.000 2.057 30 K HA -0.203 4.122 4.320 0.008 0.000 0.206 30 K C 2.365 178.975 176.600 0.016 0.000 1.050 30 K CA 1.419 57.701 56.287 -0.009 0.000 0.935 30 K CB -0.213 32.283 32.500 -0.007 0.000 0.715 30 K HN 0.205 nan 8.250 nan 0.000 0.439 31 R N 0.933 121.444 120.500 0.018 0.000 2.073 31 R HA -0.106 4.238 4.340 0.008 0.000 0.234 31 R C 1.918 178.319 176.300 0.168 0.000 1.134 31 R CA 1.761 57.903 56.100 0.070 0.000 0.952 31 R CB -0.524 29.822 30.300 0.077 0.000 0.850 31 R HN 0.420 nan 8.270 nan 0.000 0.433 32 H N -0.929 118.182 119.070 0.068 0.000 2.353 32 H HA -0.120 4.441 4.556 0.008 0.000 0.300 32 H C 1.757 177.160 175.328 0.126 0.000 1.090 32 H CA 1.046 57.202 56.048 0.181 0.000 1.327 32 H CB 0.064 29.991 29.762 0.275 0.000 1.383 32 H HN 0.101 nan 8.280 nan 0.000 0.508 33 L N 1.222 122.539 121.223 0.157 0.000 2.131 33 L HA -0.163 4.181 4.340 0.008 0.000 0.210 33 L C 2.204 179.061 176.870 -0.022 0.000 1.092 33 L CA 1.651 56.485 54.840 -0.010 0.000 0.759 33 L CB -0.254 41.734 42.059 -0.118 0.000 0.903 33 L HN 0.180 nan 8.230 nan 0.000 0.435 34 E N -0.814 119.389 120.200 0.005 0.000 2.250 34 E HA -0.157 4.198 4.350 0.008 0.000 0.192 34 E C 2.189 178.760 176.600 -0.048 0.000 0.986 34 E CA 0.919 57.317 56.400 -0.004 0.000 0.849 34 E CB -0.021 29.681 29.700 0.003 0.000 0.797 34 E HN 0.403 nan 8.360 nan 0.000 0.482 35 K N -1.081 119.247 120.400 -0.121 0.000 2.076 35 K HA -0.071 4.254 4.320 0.008 0.000 0.204 35 K C 0.986 177.334 176.600 -0.420 0.000 1.051 35 K CA 1.061 57.145 56.287 -0.339 0.000 0.949 35 K CB -0.013 32.143 32.500 -0.573 0.000 0.726 35 K HN 0.222 nan 8.250 nan 0.000 0.443 36 Y N -0.169 120.146 120.300 0.026 0.000 2.444 36 Y HA 0.261 4.816 4.550 0.008 0.000 0.249 36 Y C 0.912 176.826 175.900 0.024 0.000 1.134 36 Y CA -0.063 58.051 58.100 0.022 0.000 1.261 36 Y CB 1.106 39.577 38.460 0.017 0.000 1.143 36 Y HN 0.270 nan 8.280 nan 0.000 0.523 37 G N 0.374 109.245 108.800 0.119 0.000 2.782 37 G HA2 -0.261 3.704 3.960 0.008 0.000 0.228 37 G HA3 -0.261 3.704 3.960 0.008 0.000 0.228 37 G C -1.007 173.924 174.900 0.052 0.000 1.372 37 G CA -0.776 44.386 45.100 0.102 0.000 0.862 37 G HN 0.393 nan 8.290 nan 0.000 0.547 38 H N -0.265 118.852 119.070 0.079 0.000 2.615 38 H HA 0.411 4.971 4.556 0.008 0.000 0.363 38 H C 1.047 176.412 175.328 0.062 0.000 1.148 38 H CA 0.499 56.586 56.048 0.066 0.000 1.401 38 H CB 0.727 30.517 29.762 0.047 0.000 1.461 38 H HN 0.584 nan 8.280 nan 0.000 0.588 39 N N 2.187 120.975 118.700 0.147 0.000 2.895 39 N HA 0.030 4.775 4.740 0.008 0.000 0.277 39 N C -1.100 174.470 175.510 0.100 0.000 1.185 39 N CA 0.098 53.205 53.050 0.096 0.000 1.106 39 N CB -0.147 38.375 38.487 0.059 0.000 1.422 39 N HN 0.557 nan 8.380 nan 0.000 0.521 40 E N 0.463 120.724 120.200 0.102 0.000 2.383 40 E HA 0.333 4.687 4.350 0.008 0.000 0.275 40 E C -1.412 175.227 176.600 0.065 0.000 0.918 40 E CA -0.944 55.504 56.400 0.079 0.000 0.764 40 E CB 1.516 31.262 29.700 0.076 0.000 1.252 40 E HN 0.122 nan 8.360 nan 0.000 0.449 41 L N 3.797 125.051 121.223 0.052 0.000 2.264 41 L HA 0.349 4.694 4.340 0.008 0.000 0.289 41 L C -2.238 174.653 176.870 0.035 0.000 1.044 41 L CA -2.129 52.737 54.840 0.044 0.000 0.807 41 L CB 0.696 42.781 42.059 0.043 0.000 1.192 41 L HN 0.312 nan 8.230 nan 0.000 0.425 42 P HA 0.101 nan 4.420 nan 0.000 0.263 42 P C -0.695 176.616 177.300 0.018 0.000 1.195 42 P CA -0.275 62.839 63.100 0.025 0.000 0.762 42 P CB 0.711 32.426 31.700 0.025 0.000 0.799 43 A N 3.319 126.147 122.820 0.014 0.000 2.366 43 A HA 0.171 4.496 4.320 0.008 0.000 0.249 43 A C 0.317 177.905 177.584 0.008 0.000 1.084 43 A CA -0.395 51.648 52.037 0.010 0.000 0.794 43 A CB 0.036 19.039 19.000 0.006 0.000 1.034 43 A HN 0.632 nan 8.150 nan 0.000 0.491 44 E N 1.207 121.410 120.200 0.006 0.000 2.073 44 E HA 0.222 4.576 4.350 0.008 0.000 0.269 44 E C -0.724 175.877 176.600 0.002 0.000 0.917 44 E CA -0.246 56.156 56.400 0.003 0.000 0.757 44 E CB 0.436 30.137 29.700 0.001 0.000 1.111 44 E HN 0.697 nan 8.360 nan 0.000 0.410 45 E N 2.367 122.569 120.200 0.003 0.000 2.376 45 E HA 0.155 4.509 4.350 0.008 0.000 0.266 45 E C 0.225 176.827 176.600 0.003 0.000 1.009 45 E CA -0.162 56.240 56.400 0.004 0.000 0.902 45 E CB 1.040 30.744 29.700 0.007 0.000 0.972 45 E HN 0.543 nan 8.360 nan 0.000 0.439 46 G N 2.622 111.423 108.800 0.002 0.000 2.504 46 G HA2 0.144 4.109 3.960 0.008 0.000 0.288 46 G HA3 0.144 4.109 3.960 0.008 0.000 0.288 46 G C -0.362 174.542 174.900 0.006 0.000 1.182 46 G CA -0.635 44.465 45.100 -0.001 0.000 0.894 46 G HN 0.353 nan 8.290 nan 0.000 0.521 47 K N 0.650 121.052 120.400 0.003 0.000 2.401 47 K HA 0.182 4.507 4.320 0.008 0.000 0.278 47 K C 1.093 177.708 176.600 0.026 0.000 1.018 47 K CA -0.034 56.260 56.287 0.012 0.000 0.981 47 K CB 0.627 33.127 32.500 -0.001 0.000 0.933 47 K HN 0.640 nan 8.250 nan 0.000 0.477 48 S N 2.427 118.157 115.700 0.051 0.000 2.587 48 S HA -0.036 4.439 4.470 0.008 0.000 0.260 48 S C 1.185 175.842 174.600 0.094 0.000 1.353 48 S CA -0.658 57.589 58.200 0.079 0.000 0.995 48 S CB 0.517 63.786 63.200 0.116 0.000 0.912 48 S HN 0.590 nan 8.310 nan 0.000 0.568 49 L N 0.886 122.180 121.223 0.119 0.000 2.042 49 L HA -0.005 4.339 4.340 0.008 0.000 0.210 49 L C 2.089 179.079 176.870 0.200 0.000 1.076 49 L CA 1.687 56.607 54.840 0.133 0.000 0.749 49 L CB -0.768 41.375 42.059 0.140 0.000 0.893 49 L HN 0.903 nan 8.230 nan 0.000 0.432 50 W N 0.200 121.515 121.300 0.026 0.000 2.381 50 W HA -0.251 4.414 4.660 0.008 0.000 0.301 50 W C 2.309 178.849 176.519 0.036 0.000 1.205 50 W CA 1.375 58.741 57.345 0.034 0.000 1.285 50 W CB 0.092 29.569 29.460 0.028 0.000 1.133 50 W HN 0.320 nan 8.180 nan 0.000 0.521 51 E N 0.982 121.218 120.200 0.060 0.000 2.118 51 E HA -0.231 4.123 4.350 0.008 0.000 0.195 51 E C 2.158 178.693 176.600 -0.110 0.000 0.992 51 E CA 1.842 58.209 56.400 -0.056 0.000 0.804 51 E CB -0.919 28.793 29.700 0.020 0.000 0.741 51 E HN 0.360 nan 8.360 nan 0.000 0.458 52 L N -0.624 120.559 121.223 -0.066 0.000 2.093 52 L HA -0.139 4.206 4.340 0.008 0.000 0.208 52 L C 2.407 179.194 176.870 -0.139 0.000 1.085 52 L CA 0.855 55.648 54.840 -0.078 0.000 0.755 52 L CB -0.411 41.627 42.059 -0.035 0.000 0.904 52 L HN 0.086 nan 8.230 nan 0.000 0.435 53 V N 0.349 120.156 119.914 -0.179 0.000 2.270 53 V HA -0.277 3.848 4.120 0.008 0.000 0.245 53 V C 2.330 178.267 176.094 -0.261 0.000 1.043 53 V CA 1.822 63.984 62.300 -0.230 0.000 1.014 53 V CB -0.400 31.266 31.823 -0.260 0.000 0.645 53 V HN 0.318 nan 8.190 nan 0.000 0.447 54 I N 0.146 120.490 120.570 -0.377 0.000 2.315 54 I HA -0.275 3.899 4.170 0.008 0.000 0.251 54 I C 2.386 178.436 176.117 -0.112 0.000 1.125 54 I CA 1.678 62.831 61.300 -0.245 0.000 1.392 54 I CB -0.523 37.279 38.000 -0.329 0.000 1.065 54 I HN 0.424 nan 8.210 nan 0.000 0.424 55 E N 0.340 120.452 120.200 -0.148 0.000 2.358 55 E HA -0.139 4.216 4.350 0.008 0.000 0.195 55 E C 1.877 178.378 176.600 -0.166 0.000 1.010 55 E CA 0.364 56.694 56.400 -0.117 0.000 0.856 55 E CB 0.049 29.689 29.700 -0.100 0.000 0.795 55 E HN 0.505 nan 8.360 nan 0.000 0.504 56 Q N -0.597 119.024 119.800 -0.298 0.000 2.435 56 Q HA -0.027 4.318 4.340 0.008 0.000 0.207 56 Q C 0.515 176.131 176.000 -0.640 0.000 0.956 56 Q CA 0.751 56.257 55.803 -0.495 0.000 0.917 56 Q CB 0.165 28.488 28.738 -0.692 0.000 0.997 56 Q HN 0.300 nan 8.270 nan 0.000 0.497 57 F N -0.185 119.712 119.950 -0.089 0.000 2.791 57 F HA 0.266 4.797 4.527 0.007 0.000 0.308 57 F C 1.329 177.089 175.800 -0.066 0.000 1.138 57 F CA -0.359 57.595 58.000 -0.076 0.000 1.294 57 F CB 0.527 39.471 39.000 -0.093 0.000 0.975 57 F HN 0.002 nan 8.300 nan 0.000 0.512 58 E N -0.350 119.870 120.200 0.033 0.000 2.276 58 E HA -0.058 4.296 4.350 0.008 0.000 0.193 58 E C 0.333 176.940 176.600 0.012 0.000 0.983 58 E CA 0.042 56.452 56.400 0.016 0.000 0.861 58 E CB 0.154 29.845 29.700 -0.015 0.000 0.817 58 E HN 0.239 nan 8.360 nan 0.000 0.485 59 D N 0.597 120.999 120.400 0.003 0.000 2.472 59 D HA -0.099 4.546 4.640 0.008 0.000 0.237 59 D C 0.872 177.181 176.300 0.015 0.000 1.141 59 D CA -0.102 53.901 54.000 0.005 0.000 0.875 59 D CB 0.911 41.711 40.800 -0.000 0.000 1.192 59 D HN -0.123 nan 8.370 nan 0.000 0.450 60 L N 4.552 125.777 121.223 0.003 0.000 1.976 60 L HA -0.106 4.239 4.340 0.008 0.000 0.209 60 L C 1.916 178.781 176.870 -0.008 0.000 1.071 60 L CA 1.605 56.440 54.840 -0.009 0.000 0.746 60 L CB -0.616 41.427 42.059 -0.026 0.000 0.890 60 L HN 0.692 nan 8.230 nan 0.000 0.432 61 L N -1.441 119.778 121.223 -0.007 0.000 2.079 61 L HA -0.221 4.124 4.340 0.008 0.000 0.210 61 L C 2.430 179.312 176.870 0.021 0.000 1.081 61 L CA 1.142 55.980 54.840 -0.003 0.000 0.752 61 L CB -0.852 41.215 42.059 0.013 0.000 0.896 61 L HN 0.163 nan 8.230 nan 0.000 0.433 62 V N -0.241 119.696 119.914 0.039 0.000 2.594 62 V HA -0.245 3.880 4.120 0.008 0.000 0.253 62 V C 2.604 178.752 176.094 0.089 0.000 1.069 62 V CA 1.582 63.926 62.300 0.073 0.000 1.082 62 V CB -0.650 31.222 31.823 0.083 0.000 0.680 62 V HN 0.419 nan 8.190 nan 0.000 0.469 63 R N -0.532 120.003 120.500 0.058 0.000 2.062 63 R HA -0.006 4.338 4.340 0.008 0.000 0.226 63 R C 2.264 178.565 176.300 0.003 0.000 1.125 63 R CA 1.112 57.232 56.100 0.033 0.000 0.966 63 R CB -0.237 30.072 30.300 0.016 0.000 0.861 63 R HN 0.332 nan 8.270 nan 0.000 0.433 64 I N 0.936 121.502 120.570 -0.007 0.000 2.286 64 I HA -0.237 3.937 4.170 0.008 0.000 0.248 64 I C 2.245 178.354 176.117 -0.012 0.000 1.115 64 I CA 1.154 62.440 61.300 -0.024 0.000 1.392 64 I CB -0.816 37.161 38.000 -0.038 0.000 1.065 64 I HN 0.165 nan 8.210 nan 0.000 0.418 65 L N 0.054 121.282 121.223 0.008 0.000 2.217 65 L HA -0.122 4.222 4.340 0.008 0.000 0.211 65 L C 2.209 179.094 176.870 0.024 0.000 1.107 65 L CA 1.254 56.107 54.840 0.022 0.000 0.783 65 L CB -0.538 41.545 42.059 0.040 0.000 0.919 65 L HN 0.128 nan 8.230 nan 0.000 0.442 66 L N -1.586 119.648 121.223 0.019 0.000 2.095 66 L HA -0.082 4.263 4.340 0.008 0.000 0.204 66 L C 2.202 179.059 176.870 -0.021 0.000 1.080 66 L CA 1.369 56.206 54.840 -0.006 0.000 0.759 66 L CB -0.562 41.479 42.059 -0.030 0.000 0.914 66 L HN 0.273 nan 8.230 nan 0.000 0.439 67 L N 0.071 121.280 121.223 -0.024 0.000 2.017 67 L HA -0.096 4.249 4.340 0.008 0.000 0.208 67 L C 2.481 179.342 176.870 -0.015 0.000 1.073 67 L CA 2.114 56.937 54.840 -0.030 0.000 0.745 67 L CB -0.998 41.035 42.059 -0.044 0.000 0.894 67 L HN 0.257 nan 8.230 nan 0.000 0.432 68 A N -0.616 122.197 122.820 -0.012 0.000 1.972 68 A HA -0.081 4.244 4.320 0.008 0.000 0.219 68 A C 2.425 180.031 177.584 0.038 0.000 1.169 68 A CA 1.664 53.702 52.037 0.001 0.000 0.635 68 A CB -1.053 17.947 19.000 0.001 0.000 0.810 68 A HN 0.604 nan 8.150 nan 0.000 0.446 69 A N -0.830 122.014 122.820 0.040 0.000 1.855 69 A HA -0.158 4.167 4.320 0.008 0.000 0.215 69 A C 2.325 179.971 177.584 0.103 0.000 1.191 69 A CA 1.650 53.729 52.037 0.071 0.000 0.613 69 A CB -1.283 17.741 19.000 0.040 0.000 0.829 69 A HN 0.593 nan 8.150 nan 0.000 0.442 70 C N -0.496 118.838 119.300 0.056 0.000 2.432 70 C HA -0.069 4.396 4.460 0.008 0.000 0.277 70 C C 2.568 177.646 174.990 0.146 0.000 1.249 70 C CA 0.914 59.978 59.018 0.077 0.000 1.725 70 C CB -1.391 26.351 27.740 0.003 0.000 2.028 70 C HN 0.618 nan 8.230 nan 0.000 0.477 71 I N 0.891 121.524 120.570 0.104 0.000 2.264 71 I HA -0.204 3.971 4.170 0.008 0.000 0.248 71 I C 2.669 178.869 176.117 0.139 0.000 1.111 71 I CA 1.789 63.169 61.300 0.133 0.000 1.382 71 I CB -0.532 37.521 38.000 0.089 0.000 1.060 71 I HN 0.333 nan 8.210 nan 0.000 0.418 72 S N 0.414 116.188 115.700 0.124 0.000 2.428 72 S HA -0.163 4.311 4.470 0.008 0.000 0.230 72 S C 1.952 176.613 174.600 0.101 0.000 1.014 72 S CA 0.897 59.158 58.200 0.101 0.000 0.957 72 S CB -0.337 62.920 63.200 0.096 0.000 0.784 72 S HN 0.466 nan 8.310 nan 0.000 0.499 73 F N 1.503 121.470 119.950 0.028 0.000 2.293 73 F HA 0.083 4.614 4.527 0.007 0.000 0.297 73 F C 1.897 177.751 175.800 0.089 0.000 1.089 73 F CA 0.936 58.969 58.000 0.055 0.000 1.377 73 F CB -0.133 38.939 39.000 0.121 0.000 1.051 73 F HN 0.052 nan 8.300 nan 0.000 0.511 74 V N 0.139 120.165 119.914 0.186 0.000 2.307 74 V HA -0.264 3.861 4.120 0.008 0.000 0.245 74 V C 2.193 178.312 176.094 0.043 0.000 1.045 74 V CA 1.395 63.736 62.300 0.070 0.000 1.024 74 V CB -0.730 31.110 31.823 0.029 0.000 0.651 74 V HN 0.223 nan 8.190 nan 0.000 0.449 75 L N 0.552 121.784 121.223 0.015 0.000 2.450 75 L HA -0.023 4.322 4.340 0.008 0.000 0.224 75 L C 2.414 179.321 176.870 0.062 0.000 1.149 75 L CA 1.694 56.548 54.840 0.023 0.000 0.816 75 L CB -1.272 40.809 42.059 0.037 0.000 0.932 75 L HN 0.292 nan 8.230 nan 0.000 0.449 76 A N -1.651 121.123 122.820 -0.077 0.000 1.897 76 A HA -0.160 4.164 4.320 0.008 0.000 0.215 76 A C 1.733 179.293 177.584 -0.041 0.000 1.181 76 A CA 0.845 52.667 52.037 -0.360 0.000 0.620 76 A CB -0.888 17.343 19.000 -1.280 0.000 0.821 76 A HN 0.509 nan 8.150 nan 0.000 0.443 77 W N -1.491 119.778 121.300 -0.051 0.000 2.961 77 W HA 0.208 4.872 4.660 0.007 0.000 0.240 77 W C -0.378 176.233 176.519 0.153 0.000 1.305 77 W CA 0.065 57.504 57.345 0.156 0.000 1.465 77 W CB -0.457 29.117 29.460 0.190 0.000 1.135 77 W HN 0.195 nan 8.180 nan 0.000 0.688 78 F N 1.190 121.229 119.950 0.149 0.000 2.449 78 F HA 0.350 4.882 4.527 0.008 0.000 0.329 78 F C 0.081 175.917 175.800 0.059 0.000 1.245 78 F CA -1.257 56.802 58.000 0.099 0.000 1.193 78 F CB 0.227 39.276 39.000 0.082 0.000 1.425 78 F HN -0.216 nan 8.300 nan 0.000 0.544 79 E N 1.155 121.432 120.200 0.129 0.000 2.401 79 E HA 0.205 4.560 4.350 0.008 0.000 0.280 79 E C -0.982 175.641 176.600 0.040 0.000 1.039 79 E CA -0.835 55.619 56.400 0.089 0.000 0.814 79 E CB 1.509 31.258 29.700 0.082 0.000 1.275 79 E HN 0.304 nan 8.360 nan 0.000 0.448 80 E N 1.050 121.271 120.200 0.035 0.000 2.461 80 E HA 0.029 4.383 4.350 0.008 0.000 0.263 80 E C 0.445 177.045 176.600 -0.000 0.000 1.143 80 E CA 0.457 56.866 56.400 0.015 0.000 0.994 80 E CB 0.494 30.206 29.700 0.021 0.000 0.973 80 E HN 0.637 nan 8.360 nan 0.000 0.457 81 G N 0.341 109.132 108.800 -0.015 0.000 3.371 81 G HA2 -0.080 3.884 3.960 0.008 0.000 0.248 81 G HA3 -0.080 3.884 3.960 0.008 0.000 0.248 81 G C 0.995 175.879 174.900 -0.026 0.000 1.161 81 G CA 0.255 45.337 45.100 -0.031 0.000 0.796 81 G HN 0.669 nan 8.290 nan 0.000 0.539 82 E N -0.027 120.166 120.200 -0.013 0.000 2.230 82 E HA 0.053 4.407 4.350 0.008 0.000 0.192 82 E C 0.336 176.928 176.600 -0.013 0.000 0.987 82 E CA 0.436 56.829 56.400 -0.011 0.000 0.841 82 E CB 0.122 29.822 29.700 -0.000 0.000 0.783 82 E HN 0.366 nan 8.360 nan 0.000 0.481 83 E N 0.367 120.561 120.200 -0.009 0.000 3.544 83 E HA 0.076 4.431 4.350 0.008 0.000 0.264 83 E C -0.582 176.017 176.600 -0.001 0.000 1.225 83 E CA -0.041 56.353 56.400 -0.010 0.000 1.045 83 E CB 1.402 31.100 29.700 -0.004 0.000 1.338 83 E HN 0.065 nan 8.360 nan 0.000 0.395 84 T N 0.102 114.647 114.554 -0.015 0.000 3.023 84 T HA 0.036 4.391 4.350 0.008 0.000 0.249 84 T C 1.589 176.279 174.700 -0.017 0.000 1.050 84 T CA 0.187 62.292 62.100 0.008 0.000 1.088 84 T CB 0.151 68.993 68.868 -0.044 0.000 0.946 84 T HN 0.304 nan 8.240 nan 0.000 0.480 85 I N 2.791 123.318 120.570 -0.072 0.000 2.567 85 I HA 0.016 4.191 4.170 0.008 0.000 0.257 85 I C 1.567 177.638 176.117 -0.077 0.000 1.184 85 I CA 1.635 62.870 61.300 -0.108 0.000 1.451 85 I CB -0.147 37.794 38.000 -0.099 0.000 1.089 85 I HN 0.389 nan 8.210 nan 0.000 0.441 86 T N -2.787 111.742 114.554 -0.041 0.000 3.308 86 T HA 0.665 5.019 4.350 0.008 0.000 0.270 86 T C 0.788 175.475 174.700 -0.022 0.000 0.992 86 T CA 0.061 62.131 62.100 -0.051 0.000 0.931 86 T CB 0.220 69.049 68.868 -0.064 0.000 1.142 86 T HN 0.187 nan 8.240 nan 0.000 0.525 87 A N 0.330 123.184 122.820 0.056 0.000 2.074 87 A HA 0.507 4.831 4.320 0.008 0.000 0.200 87 A C 0.921 178.528 177.584 0.039 0.000 1.335 87 A CA -0.188 51.883 52.037 0.056 0.000 0.922 87 A CB -0.190 18.864 19.000 0.089 0.000 0.972 87 A HN 0.467 nan 8.150 nan 0.000 0.475 88 F N 0.485 120.366 119.950 -0.116 0.000 2.693 88 F HA 0.143 4.675 4.527 0.008 0.000 0.303 88 F C 1.709 177.466 175.800 -0.072 0.000 1.143 88 F CA -0.055 57.898 58.000 -0.079 0.000 1.389 88 F CB -0.142 38.733 39.000 -0.210 0.000 1.060 88 F HN 0.010 nan 8.300 nan 0.000 0.535 89 V N -0.422 119.525 119.914 0.055 0.000 2.283 89 V HA -0.250 3.874 4.120 0.008 0.000 0.243 89 V C 2.446 178.611 176.094 0.120 0.000 1.039 89 V CA 1.993 64.310 62.300 0.029 0.000 1.016 89 V CB -0.505 31.263 31.823 -0.093 0.000 0.650 89 V HN 0.364 nan 8.190 nan 0.000 0.449 90 E N 0.625 120.872 120.200 0.079 0.000 2.049 90 E HA -0.252 4.102 4.350 0.008 0.000 0.198 90 E C -0.133 176.577 176.600 0.183 0.000 1.007 90 E CA 2.157 58.620 56.400 0.105 0.000 0.809 90 E CB -0.936 28.802 29.700 0.063 0.000 0.749 90 E HN 0.460 nan 8.360 nan 0.000 0.450 91 P HA -0.145 nan 4.420 nan 0.000 0.215 91 P C 0.925 178.451 177.300 0.377 0.000 1.157 91 P CA 1.330 64.633 63.100 0.338 0.000 0.868 91 P CB -0.130 31.870 31.700 0.499 0.000 0.788 92 F N -0.979 119.086 119.950 0.192 0.000 2.146 92 F HA -0.133 4.399 4.527 0.007 0.000 0.298 92 F C 2.358 178.232 175.800 0.123 0.000 1.096 92 F CA 0.938 59.038 58.000 0.166 0.000 1.275 92 F CB -1.524 37.581 39.000 0.175 0.000 1.008 92 F HN -0.280 nan 8.300 nan 0.000 0.480 93 V N 0.420 120.519 119.914 0.308 0.000 2.261 93 V HA -0.306 3.819 4.120 0.008 0.000 0.246 93 V C 2.383 178.571 176.094 0.158 0.000 1.047 93 V CA 1.952 64.377 62.300 0.209 0.000 1.015 93 V CB -0.676 31.257 31.823 0.183 0.000 0.642 93 V HN 0.334 nan 8.190 nan 0.000 0.446 94 I N -0.802 119.856 120.570 0.146 0.000 2.567 94 I HA -0.219 3.956 4.170 0.008 0.000 0.257 94 I C 2.088 178.260 176.117 0.091 0.000 1.184 94 I CA 1.260 62.626 61.300 0.110 0.000 1.451 94 I CB 0.150 38.211 38.000 0.100 0.000 1.089 94 I HN 0.313 nan 8.210 nan 0.000 0.441 95 L N 0.021 121.295 121.223 0.086 0.000 2.168 95 L HA -0.015 4.329 4.340 0.008 0.000 0.203 95 L C 2.051 178.952 176.870 0.052 0.000 1.078 95 L CA 1.335 56.197 54.840 0.036 0.000 0.780 95 L CB -0.404 41.624 42.059 -0.051 0.000 0.939 95 L HN 0.213 nan 8.230 nan 0.000 0.451 96 L N -0.848 120.420 121.223 0.074 0.000 2.187 96 L HA -0.208 4.137 4.340 0.008 0.000 0.213 96 L C 2.225 179.140 176.870 0.076 0.000 1.100 96 L CA 1.387 56.276 54.840 0.081 0.000 0.765 96 L CB -0.111 42.020 42.059 0.119 0.000 0.904 96 L HN 0.318 nan 8.230 nan 0.000 0.437 97 I N -1.208 119.410 120.570 0.079 0.000 2.235 97 I HA -0.264 3.911 4.170 0.008 0.000 0.241 97 I C 2.209 178.364 176.117 0.064 0.000 1.085 97 I CA 0.641 61.979 61.300 0.063 0.000 1.378 97 I CB -0.283 37.755 38.000 0.063 0.000 1.076 97 I HN 0.169 nan 8.210 nan 0.000 0.415 98 L N 0.622 121.900 121.223 0.092 0.000 2.081 98 L HA -0.209 4.135 4.340 0.008 0.000 0.212 98 L C 2.337 179.297 176.870 0.151 0.000 1.080 98 L CA 1.933 56.856 54.840 0.139 0.000 0.754 98 L CB -0.644 41.545 42.059 0.216 0.000 0.893 98 L HN 0.206 nan 8.230 nan 0.000 0.433 99 I N -1.468 119.187 120.570 0.141 0.000 2.546 99 I HA -0.208 3.966 4.170 0.008 0.000 0.255 99 I C 2.476 178.630 176.117 0.061 0.000 1.163 99 I CA 0.794 62.174 61.300 0.133 0.000 1.457 99 I CB -0.441 37.623 38.000 0.106 0.000 1.092 99 I HN 0.203 nan 8.210 nan 0.000 0.434 100 A N 1.365 124.210 122.820 0.043 0.000 1.855 100 A HA -0.173 4.151 4.320 0.008 0.000 0.215 100 A C 2.002 179.582 177.584 -0.008 0.000 1.191 100 A CA 1.651 53.697 52.037 0.015 0.000 0.613 100 A CB -0.575 18.434 19.000 0.015 0.000 0.829 100 A HN 0.371 nan 8.150 nan 0.000 0.442 101 N N 0.324 119.015 118.700 -0.015 0.000 2.453 101 N HA -0.006 4.738 4.740 0.008 0.000 0.183 101 N C 1.636 177.098 175.510 -0.080 0.000 1.041 101 N CA 1.206 54.233 53.050 -0.039 0.000 0.900 101 N CB -0.350 38.113 38.487 -0.040 0.000 0.961 101 N HN 0.512 nan 8.380 nan 0.000 0.443 102 A N 1.101 123.855 122.820 -0.110 0.000 1.878 102 A HA 0.087 4.412 4.320 0.008 0.000 0.213 102 A C 2.184 179.718 177.584 -0.084 0.000 1.192 102 A CA 0.303 52.217 52.037 -0.205 0.000 0.619 102 A CB -0.517 18.289 19.000 -0.324 0.000 0.837 102 A HN 0.228 nan 8.150 nan 0.000 0.446 103 I N -0.015 120.547 120.570 -0.014 0.000 2.454 103 I HA -0.174 4.001 4.170 0.008 0.000 0.254 103 I C 1.782 177.936 176.117 0.063 0.000 1.156 103 I CA 1.184 62.503 61.300 0.032 0.000 1.433 103 I CB 0.170 38.189 38.000 0.032 0.000 1.082 103 I HN 0.145 nan 8.210 nan 0.000 0.432 104 V N 0.611 120.548 119.914 0.039 0.000 2.649 104 V HA -0.021 4.104 4.120 0.008 0.000 0.248 104 V C 2.480 178.661 176.094 0.145 0.000 1.054 104 V CA 1.460 63.817 62.300 0.094 0.000 1.073 104 V CB -0.799 31.042 31.823 0.029 0.000 0.699 104 V HN 0.581 nan 8.190 nan 0.000 0.463 105 G N 0.097 108.924 108.800 0.045 0.000 2.422 105 G HA2 -0.143 3.822 3.960 0.008 0.000 0.218 105 G HA3 -0.143 3.822 3.960 0.008 0.000 0.218 105 G C 1.534 176.446 174.900 0.021 0.000 1.140 105 G CA 1.230 46.337 45.100 0.011 0.000 0.775 105 G HN 0.412 nan 8.290 nan 0.000 0.545 106 V N -0.895 119.043 119.914 0.039 0.000 2.649 106 V HA -0.015 4.109 4.120 0.008 0.000 0.248 106 V C 2.144 178.292 176.094 0.089 0.000 1.054 106 V CA 1.126 63.449 62.300 0.040 0.000 1.073 106 V CB -0.456 31.393 31.823 0.043 0.000 0.699 106 V HN 0.606 nan 8.190 nan 0.000 0.463 107 W N 1.246 122.532 121.300 -0.023 0.000 2.388 107 W HA -0.149 4.515 4.660 0.007 0.000 0.294 107 W C 2.322 178.833 176.519 -0.014 0.000 1.212 107 W CA 1.542 58.880 57.345 -0.012 0.000 1.271 107 W CB -0.015 29.440 29.460 -0.009 0.000 1.126 107 W HN 0.240 nan 8.180 nan 0.000 0.535 108 Q N -0.537 119.273 119.800 0.015 0.000 2.389 108 Q HA -0.120 4.224 4.340 0.008 0.000 0.204 108 Q C 1.785 177.675 176.000 -0.183 0.000 0.944 108 Q CA 1.167 56.866 55.803 -0.173 0.000 0.908 108 Q CB -0.057 28.710 28.738 0.048 0.000 1.002 108 Q HN 0.465 nan 8.270 nan 0.000 0.493 109 E N 1.171 121.300 120.200 -0.118 0.000 2.415 109 E HA -0.054 4.301 4.350 0.008 0.000 0.197 109 E C 1.773 178.305 176.600 -0.113 0.000 1.007 109 E CA -0.069 56.271 56.400 -0.100 0.000 0.890 109 E CB 0.349 30.012 29.700 -0.061 0.000 0.891 109 E HN 0.241 nan 8.360 nan 0.000 0.496 110 R N 0.024 120.442 120.500 -0.136 0.000 2.307 110 R HA 0.086 4.430 4.340 0.008 0.000 0.199 110 R C 0.310 176.518 176.300 -0.154 0.000 1.000 110 R CA 0.445 56.475 56.100 -0.116 0.000 1.023 110 R CB -0.115 30.133 30.300 -0.086 0.000 0.908 110 R HN -0.068 nan 8.270 nan 0.000 0.473 111 N N 1.582 120.146 118.700 -0.227 0.000 2.802 111 N HA 0.146 4.891 4.740 0.008 0.000 0.288 111 N C -1.084 174.336 175.510 -0.151 0.000 1.268 111 N CA 0.193 53.110 53.050 -0.222 0.000 1.035 111 N CB 1.402 39.684 38.487 -0.342 0.000 1.353 111 N HN 0.293 nan 8.380 nan 0.000 0.522 112 A N 0.728 123.483 122.820 -0.108 0.000 2.267 112 A HA 0.344 4.669 4.320 0.008 0.000 0.315 112 A C 0.331 177.880 177.584 -0.059 0.000 1.297 112 A CA -0.685 51.305 52.037 -0.078 0.000 0.865 112 A CB 1.121 20.081 19.000 -0.067 0.000 1.165 112 A HN 0.246 nan 8.150 nan 0.000 0.513 113 E N 1.601 121.771 120.200 -0.051 0.000 2.392 113 E HA 0.089 4.443 4.350 0.008 0.000 0.256 113 E C -0.320 176.263 176.600 -0.028 0.000 1.145 113 E CA -0.533 55.844 56.400 -0.038 0.000 0.929 113 E CB 0.789 30.469 29.700 -0.033 0.000 0.998 113 E HN 0.617 nan 8.360 nan 0.000 0.442 114 N N 0.131 118.819 118.700 -0.020 0.000 2.424 114 N HA 0.172 4.916 4.740 0.008 0.000 0.271 114 N C -0.253 175.255 175.510 -0.004 0.000 0.985 114 N CA -0.087 52.956 53.050 -0.012 0.000 0.921 114 N CB 1.681 40.162 38.487 -0.009 0.000 1.149 114 N HN 0.533 nan 8.380 nan 0.000 0.492 115 A N 4.654 127.473 122.820 -0.002 0.000 2.014 115 A HA -0.041 4.283 4.320 0.008 0.000 0.218 115 A C 1.885 179.480 177.584 0.018 0.000 1.163 115 A CA 0.775 52.816 52.037 0.007 0.000 0.652 115 A CB -0.169 18.831 19.000 0.000 0.000 0.808 115 A HN 0.701 nan 8.150 nan 0.000 0.449 116 I N -0.017 120.561 120.570 0.013 0.000 2.353 116 I HA -0.161 4.013 4.170 0.008 0.000 0.248 116 I C 2.318 178.451 176.117 0.028 0.000 1.119 116 I CA 1.458 62.770 61.300 0.020 0.000 1.417 116 I CB -1.383 36.625 38.000 0.013 0.000 1.078 116 I HN 0.537 nan 8.210 nan 0.000 0.421 117 E N 1.203 121.413 120.200 0.017 0.000 2.077 117 E HA -0.201 4.154 4.350 0.008 0.000 0.193 117 E C 2.281 178.893 176.600 0.019 0.000 0.989 117 E CA 1.402 57.810 56.400 0.013 0.000 0.800 117 E CB 0.132 29.833 29.700 0.001 0.000 0.746 117 E HN 0.423 nan 8.360 nan 0.000 0.452 118 A N 0.802 123.638 122.820 0.026 0.000 1.969 118 A HA -0.138 4.187 4.320 0.008 0.000 0.218 118 A C 2.075 179.719 177.584 0.099 0.000 1.169 118 A CA 0.932 52.991 52.037 0.037 0.000 0.635 118 A CB -0.470 18.555 19.000 0.043 0.000 0.810 118 A HN 0.354 nan 8.150 nan 0.000 0.445 119 L N -0.034 121.262 121.223 0.122 0.000 2.093 119 L HA -0.086 4.258 4.340 0.008 0.000 0.208 119 L C 2.059 179.057 176.870 0.212 0.000 1.085 119 L CA 1.974 56.935 54.840 0.201 0.000 0.755 119 L CB -0.375 41.744 42.059 0.100 0.000 0.904 119 L HN 0.310 nan 8.230 nan 0.000 0.435 120 K N -0.373 120.090 120.400 0.104 0.000 2.442 120 K HA -0.140 4.184 4.320 0.008 0.000 0.198 120 K C 1.601 178.225 176.600 0.040 0.000 1.044 120 K CA 0.968 57.300 56.287 0.074 0.000 0.948 120 K CB -0.126 32.398 32.500 0.039 0.000 0.762 120 K HN 0.497 nan 8.250 nan 0.000 0.472 121 E N -0.187 120.005 120.200 -0.014 0.000 2.472 121 E HA -0.136 4.219 4.350 0.008 0.000 0.200 121 E C 0.493 176.943 176.600 -0.251 0.000 1.046 121 E CA 0.697 57.007 56.400 -0.150 0.000 0.871 121 E CB 0.067 29.625 29.700 -0.237 0.000 0.806 121 E HN 0.424 nan 8.360 nan 0.000 0.533 122 Y N 0.743 121.048 120.300 0.008 0.000 2.466 122 Y HA 0.131 4.685 4.550 0.008 0.000 0.272 122 Y C 0.252 176.162 175.900 0.016 0.000 1.169 122 Y CA 0.033 58.141 58.100 0.013 0.000 1.285 122 Y CB 0.479 38.948 38.460 0.015 0.000 1.078 122 Y HN -0.125 nan 8.280 nan 0.000 0.523 123 E N 3.125 123.388 120.200 0.105 0.000 2.130 123 E HA 0.162 4.517 4.350 0.008 0.000 0.284 123 E C -2.333 174.290 176.600 0.038 0.000 1.018 123 E CA -2.219 54.227 56.400 0.075 0.000 0.817 123 E CB 0.752 30.488 29.700 0.060 0.000 1.078 123 E HN 0.043 nan 8.360 nan 0.000 0.396 124 P HA 0.003 nan 4.420 nan 0.000 0.277 124 P C 0.188 177.497 177.300 0.014 0.000 1.240 124 P CA -0.048 63.063 63.100 0.018 0.000 0.798 124 P CB 1.460 33.174 31.700 0.023 0.000 0.979 125 E N 1.363 121.565 120.200 0.004 0.000 2.047 125 E HA -0.067 4.287 4.350 0.008 0.000 0.191 125 E C 0.322 176.926 176.600 0.007 0.000 0.987 125 E CA 0.959 57.362 56.400 0.005 0.000 0.799 125 E CB 0.039 29.738 29.700 -0.002 0.000 0.752 125 E HN 0.335 nan 8.360 nan 0.000 0.449 126 M N -0.008 119.593 119.600 0.002 0.000 2.573 126 M HA 0.514 4.999 4.480 0.008 0.000 0.309 126 M C 0.341 176.638 176.300 -0.004 0.000 1.202 126 M CA -0.531 54.767 55.300 -0.003 0.000 0.975 126 M CB 1.304 33.898 32.600 -0.009 0.000 1.600 126 M HN 0.100 nan 8.290 nan 0.000 0.479 127 G N 0.834 109.626 108.800 -0.013 0.000 2.695 127 G HA2 0.701 4.666 3.960 0.008 0.000 0.290 127 G HA3 0.701 4.666 3.960 0.008 0.000 0.290 127 G C -1.600 173.275 174.900 -0.043 0.000 1.410 127 G CA -0.768 44.321 45.100 -0.019 0.000 0.844 127 G HN 0.549 nan 8.290 nan 0.000 0.478 128 K N 0.095 120.461 120.400 -0.057 0.000 2.413 128 K HA 0.627 4.952 4.320 0.008 0.000 0.257 128 K C -0.399 176.123 176.600 -0.130 0.000 0.946 128 K CA -0.739 55.483 56.287 -0.109 0.000 0.823 128 K CB 2.400 34.831 32.500 -0.115 0.000 1.109 128 K HN 0.592 nan 8.250 nan 0.000 0.427 129 V N -0.343 119.465 119.914 -0.178 0.000 3.126 129 V HA 0.592 4.717 4.120 0.008 0.000 0.314 129 V C -1.472 174.464 176.094 -0.265 0.000 1.138 129 V CA -0.934 61.282 62.300 -0.139 0.000 1.034 129 V CB 1.374 33.160 31.823 -0.061 0.000 1.075 129 V HN 0.644 nan 8.190 nan 0.000 0.442 130 Y N 1.538 121.825 120.300 -0.021 0.000 2.328 130 Y HA 0.771 5.326 4.550 0.008 0.000 0.333 130 Y C 0.409 176.296 175.900 -0.022 0.000 0.958 130 Y CA -0.669 57.421 58.100 -0.017 0.000 1.167 130 Y CB 1.742 40.194 38.460 -0.014 0.000 1.151 130 Y HN 0.525 nan 8.280 nan 0.000 0.470 131 R N 1.359 121.921 120.500 0.104 0.000 2.778 131 R HA 0.537 4.881 4.340 0.008 0.000 0.277 131 R C 0.658 176.992 176.300 0.057 0.000 0.977 131 R CA -0.515 55.616 56.100 0.051 0.000 0.950 131 R CB 1.630 31.936 30.300 0.010 0.000 1.165 131 R HN 0.812 nan 8.270 nan 0.000 0.474 132 A N 1.092 123.932 122.820 0.033 0.000 2.139 132 A HA -0.231 4.094 4.320 0.008 0.000 0.221 132 A C 1.548 179.146 177.584 0.024 0.000 1.159 132 A CA 1.913 53.966 52.037 0.027 0.000 0.662 132 A CB -0.418 18.589 19.000 0.012 0.000 0.796 132 A HN 0.765 nan 8.150 nan 0.000 0.463 133 D N -0.199 120.213 120.400 0.020 0.000 2.103 133 D HA -0.126 4.518 4.640 0.008 0.000 0.190 133 D C 1.219 177.532 176.300 0.021 0.000 0.997 133 D CA 1.507 55.516 54.000 0.014 0.000 0.833 133 D CB 0.092 40.896 40.800 0.007 0.000 0.961 133 D HN 0.645 nan 8.370 nan 0.000 0.447 134 R N -1.234 119.287 120.500 0.034 0.000 2.836 134 R HA 0.411 4.756 4.340 0.008 0.000 0.269 134 R C 0.332 176.679 176.300 0.080 0.000 1.010 134 R CA -0.766 55.359 56.100 0.042 0.000 0.930 134 R CB 0.842 31.159 30.300 0.028 0.000 1.218 134 R HN -0.262 nan 8.270 nan 0.000 0.473 135 K N 0.913 121.360 120.400 0.078 0.000 2.243 135 K HA 0.027 4.351 4.320 0.008 0.000 0.201 135 K C 0.425 177.141 176.600 0.193 0.000 1.051 135 K CA 1.009 57.361 56.287 0.108 0.000 0.970 135 K CB 0.012 32.549 32.500 0.062 0.000 0.755 135 K HN 0.680 nan 8.250 nan 0.000 0.465 136 S N -0.533 115.249 115.700 0.137 0.000 2.632 136 S HA 0.273 4.748 4.470 0.008 0.000 0.271 136 S C 0.122 174.729 174.600 0.010 0.000 1.260 136 S CA -0.974 57.309 58.200 0.137 0.000 1.010 136 S CB 1.489 64.723 63.200 0.057 0.000 0.965 136 S HN -0.010 nan 8.310 nan 0.000 0.534 137 V N 1.784 121.581 119.914 -0.196 0.000 2.901 137 V HA 0.152 4.277 4.120 0.008 0.000 0.307 137 V C -0.278 175.629 176.094 -0.311 0.000 1.084 137 V CA 0.413 62.321 62.300 -0.653 0.000 1.184 137 V CB 0.611 32.047 31.823 -0.646 0.000 0.941 137 V HN 0.961 nan 8.190 nan 0.000 0.493 138 Q N 5.424 125.042 119.800 -0.305 0.000 2.331 138 Q HA 0.456 4.800 4.340 0.008 0.000 0.267 138 Q C -0.715 175.203 176.000 -0.136 0.000 1.006 138 Q CA -0.564 55.144 55.803 -0.159 0.000 0.818 138 Q CB 2.100 30.773 28.738 -0.109 0.000 1.276 138 Q HN 0.699 nan 8.270 nan 0.000 0.450 139 R N 3.834 124.278 120.500 -0.093 0.000 2.204 139 R HA 0.384 4.728 4.340 0.008 0.000 0.341 139 R C -0.379 175.894 176.300 -0.045 0.000 1.035 139 R CA -0.014 56.045 56.100 -0.068 0.000 0.887 139 R CB 0.110 30.378 30.300 -0.053 0.000 1.114 139 R HN 0.679 nan 8.270 nan 0.000 0.473 140 I N -0.761 119.786 120.570 -0.038 0.000 3.436 140 I HA 0.554 4.729 4.170 0.008 0.000 0.296 140 I C -0.537 175.576 176.117 -0.007 0.000 1.143 140 I CA -1.449 59.840 61.300 -0.019 0.000 1.009 140 I CB 1.252 39.242 38.000 -0.016 0.000 1.301 140 I HN 0.174 nan 8.210 nan 0.000 0.503 141 K N 1.708 122.113 120.400 0.008 0.000 2.368 141 K HA 0.242 4.566 4.320 0.008 0.000 0.282 141 K C 0.788 177.404 176.600 0.026 0.000 1.035 141 K CA 0.331 56.630 56.287 0.020 0.000 0.973 141 K CB 1.404 33.924 32.500 0.034 0.000 0.957 141 K HN 0.817 nan 8.250 nan 0.000 0.474 142 A N 4.193 127.027 122.820 0.024 0.000 1.978 142 A HA -0.218 4.106 4.320 0.008 0.000 0.220 142 A C 1.900 179.512 177.584 0.047 0.000 1.170 142 A CA 1.679 53.732 52.037 0.027 0.000 0.636 142 A CB -0.347 18.668 19.000 0.026 0.000 0.810 142 A HN 0.818 nan 8.150 nan 0.000 0.448 143 R N -0.842 119.699 120.500 0.069 0.000 2.285 143 R HA -0.067 4.277 4.340 0.008 0.000 0.213 143 R C -0.056 176.344 176.300 0.167 0.000 1.068 143 R CA 1.526 57.698 56.100 0.119 0.000 1.004 143 R CB -0.354 30.018 30.300 0.121 0.000 0.873 143 R HN 0.244 nan 8.270 nan 0.000 0.467 144 D N 0.705 121.170 120.400 0.109 0.000 2.340 144 D HA 0.206 4.851 4.640 0.008 0.000 0.217 144 D C 0.373 176.678 176.300 0.008 0.000 1.081 144 D CA 0.027 54.067 54.000 0.066 0.000 0.842 144 D CB 0.277 41.117 40.800 0.066 0.000 0.934 144 D HN 0.244 nan 8.370 nan 0.000 0.511 145 I N 1.125 121.703 120.570 0.013 0.000 2.638 145 I HA 0.106 4.280 4.170 0.008 0.000 0.286 145 I C 0.482 176.594 176.117 -0.009 0.000 1.088 145 I CA -0.480 60.816 61.300 -0.007 0.000 1.397 145 I CB 1.288 39.283 38.000 -0.008 0.000 1.414 145 I HN -0.237 nan 8.210 nan 0.000 0.566 146 V N 2.807 122.712 119.914 -0.016 0.000 3.160 146 V HA 0.606 4.730 4.120 0.008 0.000 0.310 146 V C -2.842 173.198 176.094 -0.090 0.000 1.181 146 V CA -2.725 59.577 62.300 0.003 0.000 1.047 146 V CB 1.478 33.379 31.823 0.130 0.000 1.068 146 V HN 0.435 nan 8.190 nan 0.000 0.441 147 P HA 0.407 nan 4.420 nan 0.000 0.267 147 P C 0.894 177.803 177.300 -0.652 0.000 1.205 147 P CA 2.004 64.859 63.100 -0.409 0.000 0.765 147 P CB 0.864 32.188 31.700 -0.627 0.000 0.828 148 G N 2.245 110.354 108.800 -1.153 0.000 2.254 148 G HA2 -0.176 3.789 3.960 0.008 0.000 0.225 148 G HA3 -0.176 3.789 3.960 0.008 0.000 0.225 148 G C -0.158 174.457 174.900 -0.475 0.000 1.003 148 G CA 0.067 44.327 45.100 -1.401 0.000 0.622 148 G HN 0.648 nan 8.290 nan 0.000 0.507 149 D N 0.900 121.145 120.400 -0.258 0.000 2.329 149 D HA 0.545 5.190 4.640 0.008 0.000 0.246 149 D C 0.204 176.457 176.300 -0.078 0.000 1.111 149 D CA -0.918 53.011 54.000 -0.120 0.000 0.941 149 D CB 0.846 41.607 40.800 -0.065 0.000 1.169 149 D HN 0.093 nan 8.370 nan 0.000 0.441 150 I N 1.087 121.655 120.570 -0.004 0.000 2.396 150 I HA 0.158 4.332 4.170 0.008 0.000 0.289 150 I C -0.129 176.043 176.117 0.091 0.000 1.056 150 I CA -0.354 60.976 61.300 0.051 0.000 1.365 150 I CB 1.028 39.085 38.000 0.094 0.000 1.407 150 I HN 0.205 nan 8.210 nan 0.000 0.509 151 V N 6.320 126.271 119.914 0.062 0.000 2.715 151 V HA 0.489 4.613 4.120 0.008 0.000 0.310 151 V C -0.173 175.971 176.094 0.083 0.000 1.054 151 V CA -0.851 61.478 62.300 0.048 0.000 0.928 151 V CB 2.049 33.871 31.823 -0.001 0.000 1.007 151 V HN 0.695 nan 8.190 nan 0.000 0.437 152 E N 2.060 122.300 120.200 0.066 0.000 2.210 152 E HA 0.708 5.063 4.350 0.008 0.000 0.266 152 E C -1.454 175.166 176.600 0.034 0.000 0.883 152 E CA -0.542 55.910 56.400 0.085 0.000 0.761 152 E CB 2.197 31.981 29.700 0.140 0.000 1.156 152 E HN 0.635 nan 8.360 nan 0.000 0.412 153 V N 0.330 120.265 119.914 0.035 0.000 2.876 153 V HA 1.025 5.150 4.120 0.008 0.000 0.312 153 V C -0.866 175.246 176.094 0.030 0.000 1.085 153 V CA -0.504 61.810 62.300 0.023 0.000 0.945 153 V CB 1.326 33.159 31.823 0.016 0.000 1.017 153 V HN 0.779 nan 8.190 nan 0.000 0.428 154 A N 2.431 125.267 122.820 0.026 0.000 2.569 154 A HA 0.836 5.161 4.320 0.008 0.000 0.290 154 A C -0.281 177.320 177.584 0.028 0.000 1.136 154 A CA -0.305 51.750 52.037 0.030 0.000 0.710 154 A CB 1.675 20.693 19.000 0.031 0.000 1.303 154 A HN 2.278 nan 8.150 nan 0.000 0.413 155 V N 1.265 121.197 119.914 0.030 0.000 2.742 155 V HA 0.321 4.445 4.120 0.008 0.000 0.302 155 V C 1.408 177.516 176.094 0.024 0.000 1.133 155 V CA 2.774 65.091 62.300 0.029 0.000 1.284 155 V CB 0.133 31.974 31.823 0.030 0.000 0.850 155 V HN 2.771 nan 8.190 nan 0.000 0.494 156 G N 4.220 113.035 108.800 0.024 0.000 2.241 156 G HA2 -0.201 3.764 3.960 0.008 0.000 0.244 156 G HA3 -0.201 3.764 3.960 0.008 0.000 0.244 156 G C -0.005 174.908 174.900 0.022 0.000 0.998 156 G CA 0.212 45.324 45.100 0.021 0.000 0.621 156 G HN 0.823 nan 8.290 nan 0.000 0.519 157 D N 0.998 121.412 120.400 0.023 0.000 2.341 157 D HA 0.440 5.085 4.640 0.008 0.000 0.245 157 D C 0.474 176.794 176.300 0.033 0.000 1.106 157 D CA 0.223 54.237 54.000 0.023 0.000 0.905 157 D CB 0.948 41.759 40.800 0.019 0.000 1.202 157 D HN 0.265 nan 8.370 nan 0.000 0.426 158 K N 0.821 121.242 120.400 0.035 0.000 2.211 158 K HA 0.290 4.614 4.320 0.008 0.000 0.275 158 K C -0.683 175.946 176.600 0.047 0.000 1.024 158 K CA -0.717 55.602 56.287 0.054 0.000 0.887 158 K CB 1.257 33.791 32.500 0.058 0.000 1.084 158 K HN 0.142 nan 8.250 nan 0.000 0.463 159 V N 6.777 126.723 119.914 0.055 0.000 2.529 159 V HA 0.003 4.128 4.120 0.008 0.000 0.292 159 V C -1.149 174.972 176.094 0.044 0.000 1.028 159 V CA -0.817 61.506 62.300 0.039 0.000 1.074 159 V CB 0.960 32.805 31.823 0.038 0.000 0.958 159 V HN 0.821 nan 8.190 nan 0.000 0.481 160 P HA 0.159 nan 4.420 nan 0.000 0.230 160 P C 0.160 177.477 177.300 0.027 0.000 1.168 160 P CA 0.919 64.035 63.100 0.028 0.000 0.793 160 P CB 0.765 32.473 31.700 0.013 0.000 0.851 161 A N -0.681 122.149 122.820 0.016 0.000 2.536 161 A HA 0.486 4.811 4.320 0.008 0.000 0.293 161 A C -1.697 175.886 177.584 -0.002 0.000 1.119 161 A CA -0.596 51.449 52.037 0.012 0.000 0.654 161 A CB 0.097 19.092 19.000 -0.009 0.000 1.291 161 A HN -0.221 nan 8.150 nan 0.000 0.439 162 D N 0.957 121.358 120.400 0.002 0.000 2.325 162 D HA 0.542 5.187 4.640 0.008 0.000 0.251 162 D C -0.590 175.655 176.300 -0.092 0.000 1.196 162 D CA 0.861 54.840 54.000 -0.034 0.000 0.866 162 D CB 0.371 41.203 40.800 0.054 0.000 1.101 162 D HN 0.399 nan 8.370 nan 0.000 0.476 163 I N 2.097 122.570 120.570 -0.161 0.000 2.509 163 I HA 0.286 4.460 4.170 0.008 0.000 0.293 163 I C 0.308 176.334 176.117 -0.153 0.000 1.020 163 I CA -1.063 60.158 61.300 -0.132 0.000 1.088 163 I CB 1.778 39.717 38.000 -0.102 0.000 1.267 163 I HN -0.060 nan 8.210 nan 0.000 0.430 164 R N 6.315 126.763 120.500 -0.087 0.000 2.216 164 R HA 0.465 4.809 4.340 0.008 0.000 0.332 164 R C -0.687 175.586 176.300 -0.045 0.000 1.056 164 R CA -0.634 55.429 56.100 -0.061 0.000 0.901 164 R CB 0.405 30.696 30.300 -0.015 0.000 1.039 164 R HN 0.563 nan 8.270 nan 0.000 0.456 165 I N 6.119 126.659 120.570 -0.050 0.000 2.618 165 I HA -0.089 4.086 4.170 0.008 0.000 0.284 165 I C 1.389 177.509 176.117 0.005 0.000 1.146 165 I CA 0.176 61.462 61.300 -0.024 0.000 1.425 165 I CB 0.709 38.693 38.000 -0.026 0.000 1.383 165 I HN 0.499 nan 8.210 nan 0.000 0.562 166 L N 3.858 125.086 121.223 0.009 0.000 2.433 166 L HA 0.199 4.544 4.340 0.008 0.000 0.200 166 L C 0.753 177.633 176.870 0.016 0.000 1.059 166 L CA 0.509 55.358 54.840 0.015 0.000 0.835 166 L CB 0.238 42.303 42.059 0.011 0.000 1.076 166 L HN 0.613 nan 8.230 nan 0.000 0.481 167 S N -0.192 115.516 115.700 0.013 0.000 2.614 167 S HA 0.527 5.001 4.470 0.008 0.000 0.275 167 S C -0.991 173.620 174.600 0.019 0.000 1.161 167 S CA -0.550 57.657 58.200 0.012 0.000 0.969 167 S CB 1.165 64.364 63.200 -0.003 0.000 1.059 167 S HN 0.087 nan 8.310 nan 0.000 0.482 168 I N 5.803 126.388 120.570 0.026 0.000 2.297 168 I HA 0.333 4.507 4.170 0.008 0.000 0.291 168 I C 0.921 177.056 176.117 0.029 0.000 1.033 168 I CA -0.692 60.628 61.300 0.034 0.000 1.253 168 I CB 1.283 39.311 38.000 0.047 0.000 1.396 168 I HN 0.573 nan 8.210 nan 0.000 0.476 169 K N 3.268 123.686 120.400 0.031 0.000 2.167 169 K HA 0.020 4.345 4.320 0.008 0.000 0.203 169 K C 1.048 177.669 176.600 0.035 0.000 1.052 169 K CA 0.570 56.874 56.287 0.028 0.000 0.956 169 K CB -0.262 32.258 32.500 0.032 0.000 0.735 169 K HN 0.678 nan 8.250 nan 0.000 0.451 170 S N -0.007 115.721 115.700 0.047 0.000 2.661 170 S HA 0.137 4.612 4.470 0.008 0.000 0.265 170 S C 1.318 175.954 174.600 0.061 0.000 1.225 170 S CA -0.388 57.847 58.200 0.059 0.000 0.986 170 S CB 0.773 64.015 63.200 0.069 0.000 1.008 170 S HN 0.093 nan 8.310 nan 0.000 0.565 171 T N 1.162 115.763 114.554 0.079 0.000 2.821 171 T HA 0.091 4.445 4.350 0.008 0.000 0.267 171 T C 0.926 175.686 174.700 0.101 0.000 1.046 171 T CA 1.522 63.667 62.100 0.076 0.000 1.139 171 T CB -0.565 68.368 68.868 0.109 0.000 0.871 171 T HN 1.001 nan 8.240 nan 0.000 0.454 172 T N -0.769 113.865 114.554 0.133 0.000 2.868 172 T HA 0.631 4.985 4.350 0.008 0.000 0.306 172 T C -1.634 173.135 174.700 0.115 0.000 1.224 172 T CA -1.066 61.126 62.100 0.154 0.000 1.012 172 T CB 1.864 70.888 68.868 0.260 0.000 1.221 172 T HN -0.023 nan 8.240 nan 0.000 0.499 173 L N 1.643 122.924 121.223 0.098 0.000 2.305 173 L HA 0.674 5.019 4.340 0.008 0.000 0.284 173 L C -0.355 176.550 176.870 0.058 0.000 1.013 173 L CA -0.525 54.355 54.840 0.066 0.000 0.819 173 L CB 1.040 43.128 42.059 0.047 0.000 1.227 173 L HN 0.718 nan 8.230 nan 0.000 0.417 174 R N 4.386 124.913 120.500 0.044 0.000 2.343 174 R HA 0.739 5.084 4.340 0.008 0.000 0.320 174 R C -1.382 174.933 176.300 0.026 0.000 0.956 174 R CA -0.788 55.328 56.100 0.027 0.000 0.836 174 R CB 2.016 32.323 30.300 0.011 0.000 1.151 174 R HN 0.442 nan 8.270 nan 0.000 0.450 175 V N 1.770 121.700 119.914 0.027 0.000 2.680 175 V HA 0.181 4.306 4.120 0.008 0.000 0.309 175 V C -0.546 175.572 176.094 0.040 0.000 1.052 175 V CA -0.863 61.459 62.300 0.036 0.000 0.908 175 V CB 2.213 34.061 31.823 0.041 0.000 1.001 175 V HN 0.641 nan 8.190 nan 0.000 0.431 176 D N 2.992 123.420 120.400 0.045 0.000 2.412 176 D HA 0.273 4.917 4.640 0.008 0.000 0.224 176 D C 0.234 176.566 176.300 0.052 0.000 1.093 176 D CA -0.172 53.855 54.000 0.045 0.000 0.850 176 D CB 1.324 42.152 40.800 0.047 0.000 1.046 176 D HN 0.573 nan 8.370 nan 0.000 0.507 177 Q N 2.068 121.896 119.800 0.047 0.000 2.201 177 Q HA 0.067 4.411 4.340 0.008 0.000 0.236 177 Q C 1.389 177.388 176.000 -0.003 0.000 0.857 177 Q CA -0.165 55.663 55.803 0.042 0.000 1.025 177 Q CB 0.453 29.230 28.738 0.066 0.000 1.124 177 Q HN 0.557 nan 8.270 nan 0.000 0.473 178 S N 0.616 116.316 115.700 0.000 0.000 2.419 178 S HA -0.198 4.276 4.470 0.008 0.000 0.235 178 S C 1.956 176.518 174.600 -0.065 0.000 1.019 178 S CA 1.180 59.369 58.200 -0.018 0.000 0.982 178 S CB -0.731 62.473 63.200 0.007 0.000 0.789 178 S HN 0.648 nan 8.310 nan 0.000 0.490 179 I N -1.577 118.926 120.570 -0.111 0.000 2.614 179 I HA 0.067 4.241 4.170 0.008 0.000 0.258 179 I C 1.922 177.937 176.117 -0.170 0.000 1.189 179 I CA 1.150 62.325 61.300 -0.208 0.000 1.462 179 I CB -0.376 37.391 38.000 -0.388 0.000 1.092 179 I HN 0.216 nan 8.210 nan 0.000 0.442 180 L N 0.658 121.797 121.223 -0.140 0.000 2.515 180 L HA 0.143 4.487 4.340 0.008 0.000 0.223 180 L C 2.148 178.948 176.870 -0.116 0.000 1.079 180 L CA 1.032 55.774 54.840 -0.162 0.000 0.857 180 L CB -0.080 41.825 42.059 -0.256 0.000 1.050 180 L HN 0.450 nan 8.230 nan 0.000 0.476 181 T N -5.639 108.869 114.554 -0.077 0.000 2.975 181 T HA 0.295 4.650 4.350 0.008 0.000 0.261 181 T C 1.452 176.137 174.700 -0.026 0.000 0.984 181 T CA 0.618 62.692 62.100 -0.044 0.000 0.911 181 T CB 1.159 70.011 68.868 -0.027 0.000 1.127 181 T HN 0.292 nan 8.240 nan 0.000 0.514 182 G N 1.633 110.415 108.800 -0.030 0.000 2.267 182 G HA2 -0.226 3.738 3.960 0.008 0.000 0.257 182 G HA3 -0.226 3.738 3.960 0.008 0.000 0.257 182 G C -0.086 174.814 174.900 -0.000 0.000 0.998 182 G CA 0.170 45.261 45.100 -0.015 0.000 0.620 182 G HN 0.616 nan 8.290 nan 0.000 0.529 183 E N 0.941 121.143 120.200 0.003 0.000 2.313 183 E HA 0.465 4.819 4.350 0.008 0.000 0.276 183 E C 1.427 178.041 176.600 0.023 0.000 1.031 183 E CA 0.405 56.813 56.400 0.014 0.000 0.857 183 E CB 1.406 31.114 29.700 0.015 0.000 1.040 183 E HN 0.480 nan 8.360 nan 0.000 0.408 184 S N 0.909 116.630 115.700 0.035 0.000 2.458 184 S HA 0.012 4.487 4.470 0.008 0.000 0.223 184 S C 1.064 175.688 174.600 0.041 0.000 1.019 184 S CA -0.285 57.942 58.200 0.046 0.000 0.937 184 S CB 0.090 63.331 63.200 0.068 0.000 0.788 184 S HN 0.244 nan 8.310 nan 0.000 0.511 185 V N 3.567 123.504 119.914 0.037 0.000 2.557 185 V HA 0.086 4.210 4.120 0.008 0.000 0.301 185 V C 0.604 176.708 176.094 0.017 0.000 1.026 185 V CA 0.053 62.368 62.300 0.026 0.000 1.137 185 V CB 0.394 32.230 31.823 0.023 0.000 0.917 185 V HN 0.438 nan 8.190 nan 0.000 0.484 186 S N 3.705 119.408 115.700 0.005 0.000 2.562 186 S HA 0.283 4.757 4.470 0.008 0.000 0.281 186 S C -0.018 174.583 174.600 0.002 0.000 1.333 186 S CA -0.507 57.695 58.200 0.003 0.000 1.052 186 S CB 1.143 64.336 63.200 -0.011 0.000 0.884 186 S HN 0.846 nan 8.310 nan 0.000 0.506 187 V N 2.192 122.117 119.914 0.018 0.000 2.481 187 V HA 0.565 4.690 4.120 0.008 0.000 0.286 187 V C -0.289 175.820 176.094 0.026 0.000 1.042 187 V CA -0.873 61.442 62.300 0.025 0.000 0.928 187 V CB 0.860 32.707 31.823 0.039 0.000 0.986 187 V HN 0.619 nan 8.190 nan 0.000 0.462 188 I N 4.688 125.282 120.570 0.040 0.000 2.325 188 I HA 0.486 4.660 4.170 0.008 0.000 0.291 188 I C 0.472 176.625 176.117 0.059 0.000 1.019 188 I CA -0.187 61.157 61.300 0.072 0.000 1.302 188 I CB 1.037 39.120 38.000 0.138 0.000 1.401 188 I HN 0.740 nan 8.210 nan 0.000 0.485 189 K N 5.640 126.063 120.400 0.038 0.000 2.106 189 K HA 0.551 4.875 4.320 0.008 0.000 0.246 189 K C -0.261 176.358 176.600 0.033 0.000 0.987 189 K CA -0.578 55.686 56.287 -0.037 0.000 0.904 189 K CB 1.737 34.209 32.500 -0.047 0.000 1.071 189 K HN 0.725 nan 8.250 nan 0.000 0.453 190 H N -3.450 115.647 119.070 0.045 0.000 2.947 190 H HA 0.353 4.913 4.556 0.008 0.000 0.290 190 H C 0.164 175.507 175.328 0.026 0.000 1.430 190 H CA -0.666 55.405 56.048 0.039 0.000 1.189 190 H CB 0.582 30.370 29.762 0.043 0.000 1.875 190 H HN 0.505 nan 8.280 nan 0.000 0.568 191 T N -3.231 111.538 114.554 0.359 0.000 3.040 191 T HA 0.284 4.638 4.350 0.008 0.000 0.266 191 T C -0.055 174.776 174.700 0.218 0.000 1.005 191 T CA -0.373 61.858 62.100 0.219 0.000 0.906 191 T CB -0.343 68.585 68.868 0.100 0.000 1.082 191 T HN 0.562 nan 8.240 nan 0.000 0.531 192 E N 3.328 123.674 120.200 0.244 0.000 2.392 192 E HA 0.296 4.650 4.350 0.008 0.000 0.259 192 E C -2.403 174.293 176.600 0.160 0.000 1.108 192 E CA -2.150 54.278 56.400 0.048 0.000 0.916 192 E CB 0.419 29.993 29.700 -0.210 0.000 0.989 192 E HN 0.297 nan 8.360 nan 0.000 0.432 193 P HA 0.022 nan 4.420 nan 0.000 0.274 193 P C -0.715 176.662 177.300 0.128 0.000 1.237 193 P CA -0.162 62.990 63.100 0.087 0.000 0.793 193 P CB 0.667 32.383 31.700 0.027 0.000 0.977 194 V N 4.151 124.150 119.914 0.142 0.000 2.284 194 V HA 0.140 4.265 4.120 0.008 0.000 0.274 194 V C -1.452 174.720 176.094 0.130 0.000 1.023 194 V CA -1.462 60.952 62.300 0.190 0.000 0.808 194 V CB 0.925 32.925 31.823 0.294 0.000 1.035 194 V HN 0.447 nan 8.190 nan 0.000 0.445 195 P HA -0.156 nan 4.420 nan 0.000 0.216 195 P C 0.593 177.935 177.300 0.069 0.000 1.153 195 P CA 1.025 64.151 63.100 0.043 0.000 0.858 195 P CB 0.128 31.853 31.700 0.041 0.000 0.789 196 D N 0.112 120.587 120.400 0.125 0.000 2.455 196 D HA -0.057 4.587 4.640 0.008 0.000 0.265 196 D C -1.151 175.295 176.300 0.243 0.000 1.284 196 D CA -1.345 52.743 54.000 0.147 0.000 0.944 196 D CB 0.300 41.182 40.800 0.137 0.000 1.121 196 D HN 0.197 nan 8.370 nan 0.000 0.525 197 P HA -0.092 nan 4.420 nan 0.000 0.230 197 P C 0.402 177.828 177.300 0.210 0.000 1.158 197 P CA 0.678 63.892 63.100 0.190 0.000 0.769 197 P CB 0.343 32.094 31.700 0.084 0.000 0.807 198 R N -0.550 120.041 120.500 0.151 0.000 2.546 198 R HA 0.408 4.753 4.340 0.008 0.000 0.320 198 R C 0.583 176.922 176.300 0.066 0.000 1.021 198 R CA -0.380 55.778 56.100 0.097 0.000 1.088 198 R CB 0.419 30.769 30.300 0.082 0.000 1.278 198 R HN 0.027 nan 8.270 nan 0.000 0.557 199 A N 1.843 124.698 122.820 0.057 0.000 2.567 199 A HA 0.191 4.515 4.320 0.008 0.000 0.240 199 A C 0.959 178.506 177.584 -0.062 0.000 1.053 199 A CA -0.198 51.836 52.037 -0.006 0.000 0.755 199 A CB 0.114 19.094 19.000 -0.034 0.000 0.978 199 A HN 0.185 nan 8.150 nan 0.000 0.507 200 V N 1.515 121.426 119.914 -0.004 0.000 3.214 200 V HA 0.213 4.337 4.120 0.008 0.000 0.306 200 V C 1.214 177.278 176.094 -0.049 0.000 1.078 200 V CA -0.420 61.874 62.300 -0.009 0.000 1.077 200 V CB 0.335 32.189 31.823 0.053 0.000 1.121 200 V HN 0.846 nan 8.190 nan 0.000 0.468 201 N N 1.556 120.191 118.700 -0.108 0.000 2.132 201 N HA -0.204 4.540 4.740 0.008 0.000 0.191 201 N C 1.713 177.216 175.510 -0.013 0.000 1.015 201 N CA 1.993 54.946 53.050 -0.163 0.000 0.864 201 N CB -0.416 37.807 38.487 -0.440 0.000 1.006 201 N HN 0.912 nan 8.380 nan 0.000 0.430 202 Q N 0.287 120.081 119.800 -0.010 0.000 2.437 202 Q HA -0.037 4.307 4.340 0.008 0.000 0.210 202 Q C 0.195 176.224 176.000 0.049 0.000 0.972 202 Q CA 0.935 56.755 55.803 0.029 0.000 0.903 202 Q CB -0.064 28.687 28.738 0.022 0.000 0.967 202 Q HN 0.372 nan 8.270 nan 0.000 0.486 203 D N 1.326 121.753 120.400 0.046 0.000 2.366 203 D HA 0.046 4.691 4.640 0.008 0.000 0.205 203 D C -0.002 176.337 176.300 0.065 0.000 1.022 203 D CA 0.242 54.278 54.000 0.059 0.000 0.868 203 D CB 0.311 41.145 40.800 0.056 0.000 0.953 203 D HN 0.251 nan 8.370 nan 0.000 0.514 204 K N 1.611 122.054 120.400 0.071 0.000 2.480 204 K HA 0.127 4.451 4.320 0.008 0.000 0.241 204 K C 0.879 177.500 176.600 0.034 0.000 1.261 204 K CA 0.010 56.349 56.287 0.086 0.000 1.193 204 K CB 0.293 32.900 32.500 0.177 0.000 1.598 204 K HN -0.059 nan 8.250 nan 0.000 0.278 205 K N 0.906 121.264 120.400 -0.070 0.000 2.555 205 K HA -0.069 4.255 4.320 0.008 0.000 0.193 205 K C 0.796 177.135 176.600 -0.435 0.000 1.032 205 K CA 0.589 56.725 56.287 -0.251 0.000 1.004 205 K CB 0.043 32.346 32.500 -0.329 0.000 0.804 205 K HN 0.384 nan 8.250 nan 0.000 0.496 206 N N -0.235 118.306 118.700 -0.266 0.000 2.204 206 N HA 0.040 4.784 4.740 0.008 0.000 0.219 206 N C -0.128 175.308 175.510 -0.124 0.000 1.151 206 N CA -0.007 52.946 53.050 -0.162 0.000 0.867 206 N CB 0.394 38.887 38.487 0.010 0.000 1.043 206 N HN -0.102 nan 8.380 nan 0.000 0.516 207 M N 0.634 120.114 119.600 -0.199 0.000 2.664 207 M HA 0.495 4.979 4.480 0.008 0.000 0.314 207 M C -0.805 175.179 176.300 -0.527 0.000 1.200 207 M CA -0.648 54.419 55.300 -0.389 0.000 0.916 207 M CB 2.186 34.431 32.600 -0.593 0.000 1.717 207 M HN -0.085 nan 8.290 nan 0.000 0.470 208 L N 1.615 122.486 121.223 -0.586 0.000 2.385 208 L HA 0.577 4.922 4.340 0.008 0.000 0.273 208 L C -1.404 175.123 176.870 -0.571 0.000 0.990 208 L CA -0.421 54.166 54.840 -0.422 0.000 0.821 208 L CB 1.783 43.731 42.059 -0.184 0.000 1.279 208 L HN 0.510 nan 8.230 nan 0.000 0.412 209 F N 0.606 120.550 119.950 -0.009 0.000 2.443 209 F HA 0.314 4.846 4.527 0.008 0.000 0.335 209 F C 0.918 176.715 175.800 -0.004 0.000 1.104 209 F CA -0.564 57.429 58.000 -0.012 0.000 1.013 209 F CB 1.957 40.943 39.000 -0.023 0.000 1.136 209 F HN 0.340 nan 8.300 nan 0.000 0.470 210 S N 1.767 117.572 115.700 0.175 0.000 2.563 210 S HA 0.350 4.824 4.470 0.008 0.000 0.294 210 S C 1.041 175.709 174.600 0.114 0.000 1.279 210 S CA 0.995 59.262 58.200 0.111 0.000 1.069 210 S CB -0.129 63.125 63.200 0.090 0.000 0.828 210 S HN 1.198 nan 8.310 nan 0.000 0.497 211 G N 3.249 112.118 108.800 0.114 0.000 2.195 211 G HA2 -0.221 3.744 3.960 0.008 0.000 0.246 211 G HA3 -0.221 3.744 3.960 0.008 0.000 0.246 211 G C 0.389 175.369 174.900 0.133 0.000 0.984 211 G CA 0.322 45.509 45.100 0.145 0.000 0.633 211 G HN 0.881 nan 8.290 nan 0.000 0.525 212 T N 0.651 115.271 114.554 0.111 0.000 2.824 212 T HA 0.571 4.926 4.350 0.008 0.000 0.277 212 T C 0.264 175.023 174.700 0.099 0.000 0.975 212 T CA 0.426 62.587 62.100 0.101 0.000 0.966 212 T CB 0.853 69.802 68.868 0.135 0.000 1.054 212 T HN 0.926 nan 8.240 nan 0.000 0.533 213 N N -0.040 118.711 118.700 0.085 0.000 2.284 213 N HA 0.490 5.234 4.740 0.008 0.000 0.289 213 N C -1.713 173.829 175.510 0.052 0.000 1.179 213 N CA -0.777 52.315 53.050 0.069 0.000 0.774 213 N CB 0.619 39.151 38.487 0.076 0.000 1.548 213 N HN 0.251 nan 8.380 nan 0.000 0.473 214 I N 1.378 121.973 120.570 0.042 0.000 2.416 214 I HA 0.361 4.535 4.170 0.008 0.000 0.288 214 I C 1.123 177.259 176.117 0.033 0.000 1.051 214 I CA -0.156 61.164 61.300 0.035 0.000 1.375 214 I CB 1.079 39.097 38.000 0.030 0.000 1.407 214 I HN 0.957 nan 8.210 nan 0.000 0.516 215 A N 5.172 128.010 122.820 0.030 0.000 2.044 215 A HA 0.741 5.066 4.320 0.008 0.000 0.213 215 A C 0.849 178.447 177.584 0.024 0.000 1.169 215 A CA 0.930 52.981 52.037 0.025 0.000 0.724 215 A CB 0.044 19.055 19.000 0.019 0.000 0.840 215 A HN 0.780 nan 8.150 nan 0.000 0.463 216 A N -2.506 120.332 122.820 0.030 0.000 2.594 216 A HA 0.638 4.962 4.320 0.008 0.000 0.296 216 A C 0.209 177.821 177.584 0.046 0.000 1.056 216 A CA 0.181 52.241 52.037 0.037 0.000 0.693 216 A CB -0.028 18.994 19.000 0.037 0.000 1.278 216 A HN 2.131 nan 8.150 nan 0.000 0.408 217 G N 0.290 109.121 108.800 0.052 0.000 2.549 217 G HA2 0.381 4.346 3.960 0.008 0.000 0.404 217 G HA3 0.381 4.346 3.960 0.008 0.000 0.404 217 G C -0.627 174.302 174.900 0.048 0.000 1.292 217 G CA -0.048 45.086 45.100 0.056 0.000 0.935 217 G HN 1.460 nan 8.290 nan 0.000 0.512 218 K N -0.575 119.854 120.400 0.049 0.000 2.525 218 K HA 0.750 5.075 4.320 0.008 0.000 0.254 218 K C -0.509 176.118 176.600 0.044 0.000 0.934 218 K CA -0.079 56.236 56.287 0.046 0.000 0.802 218 K CB 1.646 34.175 32.500 0.049 0.000 1.295 218 K HN 2.069 nan 8.250 nan 0.000 0.433 219 A N 3.031 125.877 122.820 0.043 0.000 2.594 219 A HA 0.711 5.035 4.320 0.008 0.000 0.291 219 A C -2.183 175.428 177.584 0.044 0.000 1.105 219 A CA -0.747 51.312 52.037 0.037 0.000 0.694 219 A CB 1.574 20.590 19.000 0.026 0.000 1.291 219 A HN 0.570 nan 8.150 nan 0.000 0.410 220 L N 0.461 121.706 121.223 0.037 0.000 2.346 220 L HA 0.902 5.247 4.340 0.008 0.000 0.274 220 L C 0.312 177.196 176.870 0.022 0.000 1.007 220 L CA 0.579 55.446 54.840 0.045 0.000 0.818 220 L CB 2.028 44.103 42.059 0.027 0.000 1.284 220 L HN 1.256 nan 8.230 nan 0.000 0.424 221 G N 3.650 112.464 108.800 0.022 0.000 2.687 221 G HA2 0.521 4.485 3.960 0.008 0.000 0.291 221 G HA3 0.521 4.485 3.960 0.008 0.000 0.291 221 G C -2.065 172.832 174.900 -0.005 0.000 1.420 221 G CA -0.571 44.529 45.100 0.000 0.000 0.796 221 G HN 0.717 nan 8.290 nan 0.000 0.485 222 I N 0.567 121.125 120.570 -0.020 0.000 2.465 222 I HA 0.516 4.691 4.170 0.008 0.000 0.291 222 I C -0.344 175.728 176.117 -0.075 0.000 1.014 222 I CA -0.976 60.298 61.300 -0.044 0.000 1.093 222 I CB 1.928 39.923 38.000 -0.008 0.000 1.267 222 I HN 0.277 nan 8.210 nan 0.000 0.431 223 V N 8.238 128.071 119.914 -0.134 0.000 2.529 223 V HA 0.115 4.239 4.120 0.008 0.000 0.292 223 V C 1.079 177.089 176.094 -0.140 0.000 1.028 223 V CA 0.824 63.040 62.300 -0.140 0.000 1.074 223 V CB 0.608 32.336 31.823 -0.158 0.000 0.958 223 V HN 0.971 nan 8.190 nan 0.000 0.481 224 A N 4.540 127.324 122.820 -0.060 0.000 1.920 224 A HA 0.327 4.651 4.320 0.008 0.000 0.209 224 A C 1.051 178.613 177.584 -0.037 0.000 1.229 224 A CA 1.070 53.111 52.037 0.006 0.000 0.671 224 A CB 0.192 19.189 19.000 -0.005 0.000 0.886 224 A HN 0.870 nan 8.150 nan 0.000 0.461 225 T N -3.076 111.445 114.554 -0.054 0.000 2.868 225 T HA 0.600 4.955 4.350 0.008 0.000 0.306 225 T C -0.444 174.232 174.700 -0.040 0.000 1.224 225 T CA 0.114 62.176 62.100 -0.062 0.000 1.012 225 T CB 1.592 70.452 68.868 -0.014 0.000 1.221 225 T HN 0.717 nan 8.240 nan 0.000 0.499 226 T N -2.129 112.408 114.554 -0.029 0.000 2.716 226 T HA 0.826 5.181 4.350 0.008 0.000 0.286 226 T C 1.060 175.783 174.700 0.040 0.000 1.052 226 T CA 0.050 62.154 62.100 0.007 0.000 1.024 226 T CB 0.994 69.864 68.868 0.003 0.000 1.349 226 T HN 2.149 nan 8.240 nan 0.000 0.525 227 G N 0.252 109.085 108.800 0.055 0.000 2.634 227 G HA2 -0.324 3.640 3.960 0.008 0.000 0.309 227 G HA3 -0.324 3.640 3.960 0.008 0.000 0.309 227 G C 1.174 176.106 174.900 0.054 0.000 1.265 227 G CA 2.080 47.219 45.100 0.065 0.000 0.998 227 G HN 2.075 nan 8.290 nan 0.000 0.551 228 V N -2.231 117.715 119.914 0.053 0.000 3.141 228 V HA 0.252 4.376 4.120 0.008 0.000 0.265 228 V C 2.067 178.183 176.094 0.037 0.000 1.126 228 V CA 2.477 64.801 62.300 0.041 0.000 1.141 228 V CB 0.026 31.871 31.823 0.037 0.000 0.743 228 V HN 0.874 nan 8.190 nan 0.000 0.492 229 S N 1.639 117.366 115.700 0.045 0.000 2.840 229 S HA 0.183 4.657 4.470 0.008 0.000 0.235 229 S C 0.798 175.423 174.600 0.042 0.000 0.968 229 S CA 0.527 58.751 58.200 0.041 0.000 1.026 229 S CB -0.886 62.341 63.200 0.046 0.000 0.788 229 S HN 0.957 nan 8.310 nan 0.000 0.487 230 T N -1.881 112.700 114.554 0.045 0.000 2.927 230 T HA 0.456 4.810 4.350 0.008 0.000 0.286 230 T C 0.822 175.548 174.700 0.044 0.000 1.040 230 T CA -0.863 61.277 62.100 0.067 0.000 1.010 230 T CB 1.178 70.092 68.868 0.077 0.000 1.177 230 T HN -0.179 nan 8.240 nan 0.000 0.546 231 E N 0.249 120.483 120.200 0.057 0.000 2.038 231 E HA -0.096 4.259 4.350 0.008 0.000 0.195 231 E C 1.824 178.391 176.600 -0.056 0.000 1.000 231 E CA 1.085 57.454 56.400 -0.052 0.000 0.803 231 E CB -0.373 29.203 29.700 -0.207 0.000 0.750 231 E HN 0.714 nan 8.360 nan 0.000 0.448 232 I N 0.632 121.189 120.570 -0.022 0.000 2.454 232 I HA -0.160 4.014 4.170 0.008 0.000 0.254 232 I C 2.029 178.138 176.117 -0.014 0.000 1.156 232 I CA 1.366 62.647 61.300 -0.031 0.000 1.433 232 I CB -0.192 37.804 38.000 -0.007 0.000 1.082 232 I HN 0.062 nan 8.210 nan 0.000 0.432 233 G N 0.537 109.340 108.800 0.005 0.000 2.422 233 G HA2 -0.227 3.737 3.960 0.008 0.000 0.218 233 G HA3 -0.227 3.737 3.960 0.008 0.000 0.218 233 G C 1.696 176.592 174.900 -0.007 0.000 1.140 233 G CA 0.471 45.577 45.100 0.009 0.000 0.775 233 G HN 0.351 nan 8.290 nan 0.000 0.545 234 K N -0.163 120.224 120.400 -0.022 0.000 2.097 234 K HA 0.107 4.432 4.320 0.008 0.000 0.205 234 K C 2.358 178.931 176.600 -0.044 0.000 1.050 234 K CA 0.640 56.905 56.287 -0.037 0.000 0.938 234 K CB -0.162 32.304 32.500 -0.055 0.000 0.718 234 K HN 0.313 nan 8.250 nan 0.000 0.442 235 I N 0.917 121.457 120.570 -0.051 0.000 2.252 235 I HA -0.260 3.915 4.170 0.008 0.000 0.245 235 I C 2.718 178.815 176.117 -0.034 0.000 1.102 235 I CA 0.899 62.167 61.300 -0.053 0.000 1.385 235 I CB -0.213 37.747 38.000 -0.067 0.000 1.064 235 I HN 0.164 nan 8.210 nan 0.000 0.414 236 R N 1.166 121.653 120.500 -0.020 0.000 2.081 236 R HA -0.203 4.141 4.340 0.008 0.000 0.235 236 R C 1.627 177.921 176.300 -0.010 0.000 1.131 236 R CA 1.990 58.086 56.100 -0.007 0.000 0.960 236 R CB -0.495 29.809 30.300 0.007 0.000 0.856 236 R HN 0.304 nan 8.270 nan 0.000 0.436 237 D N 0.638 121.030 120.400 -0.013 0.000 2.097 237 D HA -0.140 4.505 4.640 0.008 0.000 0.195 237 D C 2.110 178.397 176.300 -0.022 0.000 0.989 237 D CA 1.065 55.057 54.000 -0.014 0.000 0.827 237 D CB -0.163 40.628 40.800 -0.014 0.000 0.966 237 D HN 0.333 nan 8.370 nan 0.000 0.456 238 Q N -0.394 119.388 119.800 -0.031 0.000 2.124 238 Q HA -0.076 4.268 4.340 0.008 0.000 0.202 238 Q C 2.238 178.219 176.000 -0.031 0.000 0.977 238 Q CA 0.855 56.636 55.803 -0.037 0.000 0.850 238 Q CB -0.132 28.577 28.738 -0.047 0.000 0.901 238 Q HN 0.408 nan 8.270 nan 0.000 0.429 239 M N -0.324 119.260 119.600 -0.027 0.000 2.319 239 M HA -0.045 4.440 4.480 0.008 0.000 0.265 239 M C 2.259 178.549 176.300 -0.017 0.000 1.068 239 M CA 0.869 56.156 55.300 -0.022 0.000 1.118 239 M CB -0.219 32.371 32.600 -0.017 0.000 1.395 239 M HN 0.162 nan 8.290 nan 0.000 0.435 240 A N 0.970 123.781 122.820 -0.015 0.000 1.902 240 A HA 0.076 4.400 4.320 0.008 0.000 0.217 240 A C 1.551 179.127 177.584 -0.015 0.000 1.181 240 A CA 1.325 53.355 52.037 -0.011 0.000 0.623 240 A CB -0.782 18.214 19.000 -0.007 0.000 0.818 240 A HN 0.446 nan 8.150 nan 0.000 0.443 241 A N 1.149 123.958 122.820 -0.019 0.000 2.752 241 A HA 0.432 4.756 4.320 0.008 0.000 0.292 241 A C 1.073 178.643 177.584 -0.023 0.000 1.597 241 A CA 0.582 52.606 52.037 -0.021 0.000 1.241 241 A CB -1.053 17.931 19.000 -0.027 0.000 1.061 241 A HN 0.642 nan 8.150 nan 0.000 0.576 242 T N -0.305 114.237 114.554 -0.020 0.000 3.564 242 T HA 0.438 4.792 4.350 0.008 0.000 0.266 242 T C 0.428 175.115 174.700 -0.022 0.000 1.106 242 T CA 0.098 62.185 62.100 -0.021 0.000 1.134 242 T CB -0.205 68.652 68.868 -0.019 0.000 2.476 242 T HN 0.821 nan 8.240 nan 0.000 0.471 243 E N 0.836 121.023 120.200 -0.021 0.000 2.257 243 E HA -0.213 4.142 4.350 0.008 0.000 0.217 243 E C -0.203 176.384 176.600 -0.022 0.000 1.248 243 E CA 0.012 56.399 56.400 -0.021 0.000 0.691 243 E CB -1.197 28.492 29.700 -0.019 0.000 1.185 243 E HN 0.620 nan 8.360 nan 0.000 0.377 244 Q N 1.506 121.292 119.800 -0.023 0.000 2.349 244 Q HA -0.038 4.306 4.340 0.008 0.000 0.287 244 Q C 0.028 176.015 176.000 -0.022 0.000 1.044 244 Q CA 0.297 56.086 55.803 -0.024 0.000 0.918 244 Q CB 0.644 29.367 28.738 -0.025 0.000 1.242 244 Q HN 0.248 nan 8.270 nan 0.000 0.405 245 D N 3.026 123.413 120.400 -0.021 0.000 2.364 245 D HA -0.005 4.639 4.640 0.008 0.000 0.236 245 D C -0.401 175.888 176.300 -0.017 0.000 1.221 245 D CA 0.611 54.600 54.000 -0.019 0.000 0.891 245 D CB 0.545 41.334 40.800 -0.018 0.000 1.190 245 D HN 0.440 nan 8.370 nan 0.000 0.449 246 K N 0.404 120.796 120.400 -0.014 0.000 2.218 246 K HA 0.177 4.501 4.320 0.008 0.000 0.276 246 K C 0.428 177.020 176.600 -0.013 0.000 1.022 246 K CA -0.473 55.807 56.287 -0.011 0.000 0.946 246 K CB 0.830 33.328 32.500 -0.004 0.000 1.000 246 K HN 0.443 nan 8.250 nan 0.000 0.468 247 T N -0.391 114.155 114.554 -0.014 0.000 2.903 247 T HA 0.034 4.389 4.350 0.008 0.000 0.314 247 T C -1.309 173.378 174.700 -0.021 0.000 1.078 247 T CA -1.346 60.740 62.100 -0.023 0.000 1.114 247 T CB 0.513 69.368 68.868 -0.022 0.000 0.987 247 T HN 0.384 nan 8.240 nan 0.000 0.548 248 P HA -0.138 nan 4.420 nan 0.000 0.217 248 P C 1.630 178.925 177.300 -0.008 0.000 1.148 248 P CA 0.614 63.693 63.100 -0.034 0.000 0.828 248 P CB 0.022 31.679 31.700 -0.073 0.000 0.783 249 L N -0.061 121.158 121.223 -0.006 0.000 2.093 249 L HA -0.092 4.252 4.340 0.008 0.000 0.208 249 L C 2.607 179.507 176.870 0.049 0.000 1.085 249 L CA 1.779 56.650 54.840 0.053 0.000 0.755 249 L CB -1.374 40.742 42.059 0.094 0.000 0.904 249 L HN -0.138 nan 8.230 nan 0.000 0.435 250 Q N -1.048 118.771 119.800 0.032 0.000 2.119 250 Q HA -0.217 4.127 4.340 0.008 0.000 0.201 250 Q C 2.223 178.246 176.000 0.038 0.000 0.972 250 Q CA 1.806 57.629 55.803 0.033 0.000 0.847 250 Q CB -0.151 28.598 28.738 0.018 0.000 0.903 250 Q HN 0.637 nan 8.270 nan 0.000 0.433 251 Q N 0.154 119.972 119.800 0.029 0.000 2.124 251 Q HA -0.132 4.213 4.340 0.008 0.000 0.202 251 Q C 1.937 177.968 176.000 0.052 0.000 0.977 251 Q CA 0.778 56.600 55.803 0.032 0.000 0.850 251 Q CB 0.101 28.851 28.738 0.020 0.000 0.901 251 Q HN 0.142 nan 8.270 nan 0.000 0.429 252 K N 0.417 120.852 120.400 0.058 0.000 2.097 252 K HA -0.101 4.224 4.320 0.008 0.000 0.205 252 K C 2.009 178.675 176.600 0.109 0.000 1.050 252 K CA 0.782 57.116 56.287 0.078 0.000 0.938 252 K CB -0.118 32.425 32.500 0.071 0.000 0.718 252 K HN 0.137 nan 8.250 nan 0.000 0.442 253 L N 1.607 122.888 121.223 0.098 0.000 2.109 253 L HA -0.129 4.215 4.340 0.008 0.000 0.207 253 L C 1.831 178.806 176.870 0.175 0.000 1.086 253 L CA 1.556 56.479 54.840 0.138 0.000 0.760 253 L CB -0.365 41.751 42.059 0.095 0.000 0.910 253 L HN 0.106 nan 8.230 nan 0.000 0.437 254 D N -0.826 119.637 120.400 0.106 0.000 2.183 254 D HA -0.206 4.439 4.640 0.008 0.000 0.203 254 D C 1.975 178.320 176.300 0.074 0.000 0.969 254 D CA 0.999 55.044 54.000 0.075 0.000 0.842 254 D CB 0.206 41.032 40.800 0.042 0.000 0.957 254 D HN 0.497 nan 8.370 nan 0.000 0.484 255 E N 0.204 120.460 120.200 0.093 0.000 2.051 255 E HA -0.202 4.152 4.350 0.008 0.000 0.192 255 E C 2.094 178.760 176.600 0.110 0.000 0.991 255 E CA 0.618 57.068 56.400 0.084 0.000 0.799 255 E CB -0.293 29.461 29.700 0.090 0.000 0.748 255 E HN 0.158 nan 8.360 nan 0.000 0.449 256 F N 1.318 121.279 119.950 0.017 0.000 2.120 256 F HA -0.082 4.449 4.527 0.007 0.000 0.300 256 F C 1.983 177.787 175.800 0.007 0.000 1.095 256 F CA 2.176 60.187 58.000 0.017 0.000 1.249 256 F CB -0.810 38.200 39.000 0.017 0.000 0.995 256 F HN 0.092 nan 8.300 nan 0.000 0.480 257 G N -0.368 108.371 108.800 -0.102 0.000 2.418 257 G HA2 -0.229 3.736 3.960 0.008 0.000 0.217 257 G HA3 -0.229 3.736 3.960 0.008 0.000 0.217 257 G C 1.524 176.314 174.900 -0.183 0.000 1.158 257 G CA 0.814 45.788 45.100 -0.209 0.000 0.771 257 G HN 0.484 nan 8.290 nan 0.000 0.545 258 E N -0.109 120.034 120.200 -0.095 0.000 2.110 258 E HA -0.116 4.238 4.350 0.008 0.000 0.193 258 E C 2.709 179.250 176.600 -0.099 0.000 0.988 258 E CA 0.799 57.154 56.400 -0.075 0.000 0.804 258 E CB -0.028 29.652 29.700 -0.034 0.000 0.745 258 E HN 0.310 nan 8.360 nan 0.000 0.458 259 Q N 0.352 120.084 119.800 -0.113 0.000 2.083 259 Q HA -0.112 4.232 4.340 0.008 0.000 0.198 259 Q C 2.375 178.270 176.000 -0.175 0.000 0.969 259 Q CA 0.662 56.402 55.803 -0.105 0.000 0.838 259 Q CB -0.293 28.416 28.738 -0.049 0.000 0.900 259 Q HN 0.232 nan 8.270 nan 0.000 0.436 260 L N 1.321 122.343 121.223 -0.335 0.000 2.012 260 L HA -0.204 4.141 4.340 0.008 0.000 0.210 260 L C 2.395 179.132 176.870 -0.222 0.000 1.073 260 L CA 2.386 57.000 54.840 -0.377 0.000 0.748 260 L CB -0.897 40.762 42.059 -0.665 0.000 0.891 260 L HN 0.259 nan 8.230 nan 0.000 0.431 261 S N -1.411 114.176 115.700 -0.188 0.000 2.419 261 S HA -0.240 4.235 4.470 0.008 0.000 0.235 261 S C 1.991 176.529 174.600 -0.102 0.000 1.019 261 S CA 1.360 59.484 58.200 -0.127 0.000 0.982 261 S CB -0.581 62.557 63.200 -0.104 0.000 0.789 261 S HN 0.554 nan 8.310 nan 0.000 0.490 262 K N 0.549 120.891 120.400 -0.098 0.000 2.116 262 K HA 0.116 4.441 4.320 0.008 0.000 0.203 262 K C 2.122 178.677 176.600 -0.074 0.000 1.052 262 K CA 1.093 57.335 56.287 -0.074 0.000 0.952 262 K CB -0.340 32.125 32.500 -0.059 0.000 0.729 262 K HN 0.270 nan 8.250 nan 0.000 0.446 263 V N 1.990 121.851 119.914 -0.087 0.000 2.295 263 V HA -0.246 3.878 4.120 0.008 0.000 0.246 263 V C 2.195 178.231 176.094 -0.096 0.000 1.049 263 V CA 1.575 63.823 62.300 -0.087 0.000 1.024 263 V CB -0.400 31.369 31.823 -0.089 0.000 0.648 263 V HN 0.266 nan 8.190 nan 0.000 0.447 264 I N 0.167 120.678 120.570 -0.099 0.000 2.127 264 I HA -0.260 3.914 4.170 0.008 0.000 0.241 264 I C 2.630 178.704 176.117 -0.072 0.000 1.075 264 I CA 1.856 63.104 61.300 -0.087 0.000 1.334 264 I CB -0.500 37.448 38.000 -0.087 0.000 1.040 264 I HN 0.276 nan 8.210 nan 0.000 0.405 265 S N 0.840 116.498 115.700 -0.071 0.000 2.370 265 S HA -0.160 4.314 4.470 0.008 0.000 0.226 265 S C 1.994 176.570 174.600 -0.041 0.000 1.033 265 S CA 1.029 59.193 58.200 -0.059 0.000 1.011 265 S CB -0.411 62.752 63.200 -0.062 0.000 0.852 265 S HN 0.348 nan 8.310 nan 0.000 0.457 266 L N 1.535 122.729 121.223 -0.049 0.000 2.079 266 L HA -0.071 4.273 4.340 0.008 0.000 0.210 266 L C 1.863 178.710 176.870 -0.039 0.000 1.081 266 L CA 1.769 56.585 54.840 -0.039 0.000 0.752 266 L CB -0.908 41.118 42.059 -0.054 0.000 0.896 266 L HN 0.366 nan 8.230 nan 0.000 0.433 267 I N -1.561 118.965 120.570 -0.072 0.000 2.277 267 I HA -0.282 3.893 4.170 0.008 0.000 0.243 267 I C 2.683 178.836 176.117 0.061 0.000 1.094 267 I CA 0.770 62.019 61.300 -0.084 0.000 1.393 267 I CB -0.483 37.420 38.000 -0.162 0.000 1.078 267 I HN 0.230 nan 8.210 nan 0.000 0.417 268 C N 0.483 119.811 119.300 0.046 0.000 2.403 268 C HA -0.122 4.342 4.460 0.008 0.000 0.279 268 C C 2.877 177.975 174.990 0.179 0.000 1.269 268 C CA 0.657 59.734 59.018 0.098 0.000 1.774 268 C CB -0.785 26.968 27.740 0.022 0.000 1.993 268 C HN 0.362 nan 8.230 nan 0.000 0.496 269 V N 0.831 120.821 119.914 0.126 0.000 2.488 269 V HA -0.083 4.042 4.120 0.008 0.000 0.246 269 V C 2.638 178.903 176.094 0.286 0.000 1.046 269 V CA 1.873 64.274 62.300 0.169 0.000 1.053 269 V CB -1.121 30.745 31.823 0.072 0.000 0.679 269 V HN 0.566 nan 8.190 nan 0.000 0.458 270 A N 0.194 123.149 122.820 0.225 0.000 1.902 270 A HA -0.146 4.179 4.320 0.008 0.000 0.217 270 A C 2.356 180.148 177.584 0.347 0.000 1.181 270 A CA 1.990 54.184 52.037 0.263 0.000 0.623 270 A CB -0.682 18.444 19.000 0.209 0.000 0.818 270 A HN 0.329 nan 8.150 nan 0.000 0.443 271 V N -2.234 117.908 119.914 0.380 0.000 2.490 271 V HA -0.259 3.865 4.120 0.008 0.000 0.250 271 V C 2.152 178.482 176.094 0.394 0.000 1.061 271 V CA 1.803 64.300 62.300 0.329 0.000 1.064 271 V CB -0.980 30.985 31.823 0.237 0.000 0.670 271 V HN 0.844 nan 8.190 nan 0.000 0.461 272 W N 0.473 121.980 121.300 0.344 0.000 2.363 272 W HA -0.107 4.558 4.660 0.008 0.000 0.296 272 W C 2.057 178.735 176.519 0.265 0.000 1.212 272 W CA 1.391 58.999 57.345 0.438 0.000 1.260 272 W CB -0.109 29.499 29.460 0.247 0.000 1.131 272 W HN 0.177 nan 8.180 nan 0.000 0.530 273 L N 0.112 121.508 121.223 0.288 0.000 2.240 273 L HA -0.179 4.165 4.340 0.008 0.000 0.211 273 L C 2.100 178.984 176.870 0.023 0.000 1.106 273 L CA 0.372 55.263 54.840 0.085 0.000 0.793 273 L CB -0.802 41.367 42.059 0.183 0.000 0.927 273 L HN -0.073 nan 8.230 nan 0.000 0.446 274 I N 0.050 120.674 120.570 0.090 0.000 2.756 274 I HA -0.152 4.023 4.170 0.008 0.000 0.262 274 I C 0.377 176.492 176.117 -0.004 0.000 1.225 274 I CA 1.106 62.430 61.300 0.041 0.000 1.472 274 I CB -0.874 37.151 38.000 0.042 0.000 1.094 274 I HN 0.339 nan 8.210 nan 0.000 0.454 275 N N 0.721 119.426 118.700 0.009 0.000 2.813 275 N HA 0.324 5.068 4.740 0.008 0.000 0.282 275 N C 0.812 176.264 175.510 -0.098 0.000 1.748 275 N CA -0.004 53.053 53.050 0.013 0.000 0.860 275 N CB 1.410 40.063 38.487 0.277 0.000 1.204 275 N HN 0.214 nan 8.380 nan 0.000 0.490 276 I N -1.041 119.410 120.570 -0.198 0.000 3.708 276 I HA 0.099 4.274 4.170 0.008 0.000 0.302 276 I C 2.148 178.182 176.117 -0.138 0.000 1.255 276 I CA 0.287 61.429 61.300 -0.262 0.000 1.362 276 I CB 0.294 38.136 38.000 -0.264 0.000 1.100 276 I HN 0.276 nan 8.210 nan 0.000 0.434 277 G N 0.500 109.201 108.800 -0.165 0.000 2.625 277 G HA2 -0.189 3.776 3.960 0.008 0.000 0.214 277 G HA3 -0.189 3.776 3.960 0.008 0.000 0.214 277 G C 1.265 176.087 174.900 -0.129 0.000 1.132 277 G CA 0.351 45.365 45.100 -0.143 0.000 0.782 277 G HN 0.385 nan 8.290 nan 0.000 0.538 278 H N -1.003 118.045 119.070 -0.036 0.000 2.567 278 H HA 0.025 4.586 4.556 0.008 0.000 0.276 278 H C 0.905 176.231 175.328 -0.004 0.000 1.016 278 H CA 0.118 56.140 56.048 -0.043 0.000 1.186 278 H CB 0.052 29.782 29.762 -0.053 0.000 1.351 278 H HN 0.405 nan 8.280 nan 0.000 0.605 279 F N 0.809 120.726 119.950 -0.056 0.000 2.660 279 F HA 0.148 4.679 4.527 0.007 0.000 0.302 279 F C 0.919 176.686 175.800 -0.054 0.000 1.103 279 F CA -0.118 57.836 58.000 -0.076 0.000 1.340 279 F CB 0.300 39.261 39.000 -0.066 0.000 1.048 279 F HN -0.017 nan 8.300 nan 0.000 0.551 280 N N 0.293 118.962 118.700 -0.052 0.000 2.184 280 N HA 0.050 4.795 4.740 0.008 0.000 0.206 280 N C -0.865 174.583 175.510 -0.103 0.000 1.151 280 N CA 0.291 53.287 53.050 -0.091 0.000 0.878 280 N CB 0.346 38.807 38.487 -0.044 0.000 1.014 280 N HN 0.360 nan 8.380 nan 0.000 0.512 281 D N 0.031 120.370 120.400 -0.101 0.000 2.446 281 D HA 0.213 4.857 4.640 0.008 0.000 0.251 281 D C -1.929 174.305 176.300 -0.110 0.000 1.137 281 D CA -1.469 52.482 54.000 -0.082 0.000 0.890 281 D CB 1.503 42.277 40.800 -0.043 0.000 1.071 281 D HN -0.064 nan 8.370 nan 0.000 0.528 282 P HA -0.022 nan 4.420 nan 0.000 0.249 282 P C 0.504 177.776 177.300 -0.047 0.000 1.241 282 P CA -0.248 62.788 63.100 -0.107 0.000 0.781 282 P CB 0.299 31.937 31.700 -0.103 0.000 1.088 283 V N 3.012 122.908 119.914 -0.029 0.000 3.178 283 V HA -0.102 4.022 4.120 0.008 0.000 0.306 283 V C 2.222 178.346 176.094 0.051 0.000 1.107 283 V CA 0.170 62.492 62.300 0.036 0.000 1.195 283 V CB 0.226 32.062 31.823 0.022 0.000 0.993 283 V HN 0.343 nan 8.190 nan 0.000 0.493 284 H N 3.262 122.308 119.070 -0.041 0.000 2.559 284 H HA 0.069 4.630 4.556 0.008 0.000 0.273 284 H C 1.492 176.796 175.328 -0.039 0.000 1.000 284 H CA 1.087 57.117 56.048 -0.029 0.000 1.195 284 H CB -0.659 29.097 29.762 -0.011 0.000 1.368 284 H HN 0.696 nan 8.280 nan 0.000 0.592 285 G N 0.226 108.741 108.800 -0.475 0.000 2.956 285 G HA2 0.140 4.105 3.960 0.008 0.000 0.207 285 G HA3 0.140 4.105 3.960 0.008 0.000 0.207 285 G C 0.921 175.666 174.900 -0.259 0.000 1.162 285 G CA 0.261 45.094 45.100 -0.446 0.000 0.796 285 G HN 0.634 nan 8.290 nan 0.000 0.527 286 G N -0.254 108.425 108.800 -0.201 0.000 4.921 286 G HA2 0.370 4.334 3.960 0.008 0.000 0.248 286 G HA3 0.370 4.334 3.960 0.008 0.000 0.248 286 G C 0.085 174.868 174.900 -0.195 0.000 1.026 286 G CA 0.150 45.129 45.100 -0.201 0.000 0.825 286 G HN 0.300 nan 8.290 nan 0.000 0.538 287 S N -0.781 114.851 115.700 -0.114 0.000 2.572 287 S HA 0.076 4.550 4.470 0.008 0.000 0.267 287 S C 1.444 176.014 174.600 -0.049 0.000 1.361 287 S CA -0.030 58.144 58.200 -0.043 0.000 1.009 287 S CB 0.457 63.699 63.200 0.070 0.000 0.888 287 S HN 0.394 nan 8.310 nan 0.000 0.553 288 W N 2.044 123.361 121.300 0.029 0.000 2.342 288 W HA -0.049 4.616 4.660 0.008 0.000 0.297 288 W C 1.971 178.490 176.519 -0.000 0.000 1.213 288 W CA 0.483 57.843 57.345 0.025 0.000 1.251 288 W CB -0.594 28.882 29.460 0.028 0.000 1.136 288 W HN 0.594 nan 8.180 nan 0.000 0.526 289 I N -0.137 120.563 120.570 0.216 0.000 2.202 289 I HA -0.265 3.910 4.170 0.008 0.000 0.242 289 I C 2.680 178.839 176.117 0.070 0.000 1.091 289 I CA 1.471 62.837 61.300 0.110 0.000 1.368 289 I CB -0.741 37.334 38.000 0.125 0.000 1.058 289 I HN -0.063 nan 8.210 nan 0.000 0.410 290 R N 1.328 121.867 120.500 0.065 0.000 2.073 290 R HA -0.150 4.194 4.340 0.008 0.000 0.234 290 R C 2.334 178.670 176.300 0.059 0.000 1.134 290 R CA 1.865 57.992 56.100 0.044 0.000 0.952 290 R CB -0.585 29.710 30.300 -0.009 0.000 0.850 290 R HN 0.412 nan 8.270 nan 0.000 0.433 291 G N -0.108 108.715 108.800 0.039 0.000 2.402 291 G HA2 -0.251 3.714 3.960 0.008 0.000 0.216 291 G HA3 -0.251 3.714 3.960 0.008 0.000 0.216 291 G C 1.542 176.617 174.900 0.291 0.000 1.162 291 G CA 0.731 45.898 45.100 0.112 0.000 0.777 291 G HN 0.493 nan 8.290 nan 0.000 0.539 292 A N 1.073 123.994 122.820 0.167 0.000 1.883 292 A HA -0.047 4.278 4.320 0.008 0.000 0.217 292 A C 2.385 180.055 177.584 0.143 0.000 1.186 292 A CA 1.458 53.563 52.037 0.114 0.000 0.624 292 A CB -0.446 18.500 19.000 -0.090 0.000 0.822 292 A HN 0.389 nan 8.150 nan 0.000 0.444 293 I N -1.919 118.698 120.570 0.077 0.000 2.335 293 I HA -0.293 3.882 4.170 0.008 0.000 0.251 293 I C 2.457 178.726 176.117 0.255 0.000 1.129 293 I CA 1.773 63.133 61.300 0.099 0.000 1.402 293 I CB -0.427 37.617 38.000 0.075 0.000 1.069 293 I HN 0.545 nan 8.210 nan 0.000 0.424 294 Y N 0.850 121.255 120.300 0.176 0.000 2.200 294 Y HA -0.280 4.275 4.550 0.007 0.000 0.290 294 Y C 2.275 178.269 175.900 0.157 0.000 1.137 294 Y CA 1.456 59.636 58.100 0.132 0.000 1.163 294 Y CB -0.526 37.967 38.460 0.055 0.000 0.988 294 Y HN 0.082 nan 8.280 nan 0.000 0.518 295 Y N -1.860 118.502 120.300 0.104 0.000 2.263 295 Y HA -0.133 4.422 4.550 0.007 0.000 0.292 295 Y C 1.961 177.936 175.900 0.126 0.000 1.130 295 Y CA 1.355 59.499 58.100 0.074 0.000 1.179 295 Y CB -0.854 37.771 38.460 0.275 0.000 0.998 295 Y HN 0.029 nan 8.280 nan 0.000 0.532 296 F N -0.134 119.890 119.950 0.123 0.000 2.771 296 F HA -0.005 4.526 4.527 0.007 0.000 0.299 296 F C 1.971 177.774 175.800 0.006 0.000 1.177 296 F CA 0.528 58.558 58.000 0.049 0.000 1.450 296 F CB -0.257 38.763 39.000 0.033 0.000 1.114 296 F HN -0.098 nan 8.300 nan 0.000 0.587 297 K N 0.965 121.446 120.400 0.135 0.000 2.141 297 K HA 0.112 4.437 4.320 0.008 0.000 0.202 297 K C 1.885 178.464 176.600 -0.035 0.000 1.045 297 K CA 0.976 57.293 56.287 0.050 0.000 0.971 297 K CB -0.234 32.302 32.500 0.059 0.000 0.795 297 K HN 0.314 nan 8.250 nan 0.000 0.459 298 I N -2.529 117.951 120.570 -0.150 0.000 3.419 298 I HA 0.210 4.384 4.170 0.008 0.000 0.286 298 I C 1.737 177.803 176.117 -0.084 0.000 1.268 298 I CA 0.608 61.819 61.300 -0.148 0.000 1.414 298 I CB -0.033 37.797 38.000 -0.283 0.000 1.074 298 I HN -0.049 nan 8.210 nan 0.000 0.457 299 A N 2.330 125.104 122.820 -0.077 0.000 1.873 299 A HA -0.092 4.232 4.320 0.008 0.000 0.215 299 A C 2.415 179.957 177.584 -0.071 0.000 1.186 299 A CA 2.110 54.093 52.037 -0.090 0.000 0.616 299 A CB -0.970 17.921 19.000 -0.183 0.000 0.823 299 A HN 0.455 nan 8.150 nan 0.000 0.442 300 V N -2.879 117.007 119.914 -0.047 0.000 2.871 300 V HA 0.144 4.269 4.120 0.008 0.000 0.256 300 V C 2.339 178.431 176.094 -0.003 0.000 1.082 300 V CA 1.519 63.807 62.300 -0.020 0.000 1.105 300 V CB -1.042 30.787 31.823 0.010 0.000 0.713 300 V HN 0.466 nan 8.190 nan 0.000 0.473 301 A N 0.591 123.407 122.820 -0.005 0.000 1.897 301 A HA 0.127 4.452 4.320 0.008 0.000 0.215 301 A C 2.202 179.790 177.584 0.006 0.000 1.181 301 A CA 1.682 53.724 52.037 0.008 0.000 0.620 301 A CB -0.521 18.482 19.000 0.005 0.000 0.821 301 A HN 0.527 nan 8.150 nan 0.000 0.443 302 L N -0.753 120.466 121.223 -0.007 0.000 2.093 302 L HA -0.153 4.191 4.340 0.008 0.000 0.208 302 L C 3.097 179.957 176.870 -0.017 0.000 1.085 302 L CA 0.915 55.751 54.840 -0.006 0.000 0.755 302 L CB -0.468 41.585 42.059 -0.011 0.000 0.904 302 L HN 0.450 nan 8.230 nan 0.000 0.435 303 A N -0.258 122.548 122.820 -0.024 0.000 1.845 303 A HA -0.178 4.147 4.320 0.008 0.000 0.215 303 A C 2.268 179.848 177.584 -0.007 0.000 1.195 303 A CA 1.957 53.977 52.037 -0.027 0.000 0.616 303 A CB -0.960 18.020 19.000 -0.032 0.000 0.832 303 A HN 0.174 nan 8.150 nan 0.000 0.443 304 V N -0.134 119.784 119.914 0.008 0.000 2.490 304 V HA -0.236 3.888 4.120 0.008 0.000 0.250 304 V C 2.948 179.057 176.094 0.024 0.000 1.061 304 V CA 1.930 64.245 62.300 0.025 0.000 1.064 304 V CB -1.140 30.707 31.823 0.040 0.000 0.670 304 V HN 0.628 nan 8.190 nan 0.000 0.461 305 A N -0.494 122.337 122.820 0.017 0.000 2.014 305 A HA 0.129 4.454 4.320 0.008 0.000 0.218 305 A C 2.315 179.903 177.584 0.007 0.000 1.163 305 A CA 1.591 53.636 52.037 0.014 0.000 0.652 305 A CB -0.386 18.623 19.000 0.015 0.000 0.808 305 A HN 0.535 nan 8.150 nan 0.000 0.449 306 A N -0.320 122.501 122.820 0.002 0.000 1.943 306 A HA 0.324 4.648 4.320 0.008 0.000 0.213 306 A C 0.941 178.550 177.584 0.042 0.000 1.181 306 A CA 0.248 52.287 52.037 0.004 0.000 0.653 306 A CB -0.242 18.736 19.000 -0.037 0.000 0.833 306 A HN 0.403 nan 8.150 nan 0.000 0.451 307 I N 2.164 122.752 120.570 0.031 0.000 2.396 307 I HA 0.170 4.345 4.170 0.008 0.000 0.289 307 I C -2.178 173.980 176.117 0.069 0.000 1.056 307 I CA -1.959 59.380 61.300 0.065 0.000 1.365 307 I CB 1.308 39.328 38.000 0.034 0.000 1.407 307 I HN 0.119 nan 8.210 nan 0.000 0.509 308 P HA 0.150 nan 4.420 nan 0.000 0.256 308 P C -0.073 177.243 177.300 0.026 0.000 1.689 308 P CA -0.237 62.884 63.100 0.035 0.000 1.124 308 P CB 0.711 32.422 31.700 0.019 0.000 1.766 309 E N 2.424 122.635 120.200 0.019 0.000 2.147 309 E HA -0.175 4.179 4.350 0.008 0.000 0.199 309 E C 2.182 178.780 176.600 -0.005 0.000 1.005 309 E CA 2.184 58.593 56.400 0.016 0.000 0.810 309 E CB -0.774 28.940 29.700 0.022 0.000 0.736 309 E HN 0.552 nan 8.360 nan 0.000 0.460 310 G N -0.384 108.398 108.800 -0.030 0.000 2.939 310 G HA2 -0.055 3.910 3.960 0.008 0.000 0.210 310 G HA3 -0.055 3.910 3.960 0.008 0.000 0.210 310 G C 1.297 176.156 174.900 -0.068 0.000 1.160 310 G CA -0.012 45.053 45.100 -0.058 0.000 0.770 310 G HN 0.148 nan 8.290 nan 0.000 0.543 311 L N 2.293 123.493 121.223 -0.038 0.000 1.997 311 L HA -0.052 4.292 4.340 0.008 0.000 0.216 311 L C 0.358 177.215 176.870 -0.021 0.000 1.074 311 L CA 2.417 57.245 54.840 -0.020 0.000 0.763 311 L CB -0.922 41.149 42.059 0.020 0.000 0.890 311 L HN 0.113 nan 8.230 nan 0.000 0.434 312 P HA -0.146 nan 4.420 nan 0.000 0.220 312 P C 1.245 178.524 177.300 -0.035 0.000 1.148 312 P CA 1.972 65.068 63.100 -0.006 0.000 0.803 312 P CB -0.141 31.559 31.700 -0.001 0.000 0.782 313 A N -0.208 122.575 122.820 -0.062 0.000 1.970 313 A HA -0.001 4.324 4.320 0.008 0.000 0.216 313 A C 2.369 179.872 177.584 -0.136 0.000 1.170 313 A CA 1.032 53.020 52.037 -0.081 0.000 0.645 313 A CB -1.307 17.645 19.000 -0.079 0.000 0.816 313 A HN 0.059 nan 8.150 nan 0.000 0.447 314 V N 0.238 120.027 119.914 -0.208 0.000 2.379 314 V HA -0.209 3.915 4.120 0.008 0.000 0.245 314 V C 2.368 178.241 176.094 -0.369 0.000 1.044 314 V CA 1.736 63.796 62.300 -0.401 0.000 1.036 314 V CB -0.675 30.755 31.823 -0.656 0.000 0.664 314 V HN 0.550 nan 8.190 nan 0.000 0.453 315 I N 0.127 120.600 120.570 -0.162 0.000 2.142 315 I HA -0.247 3.928 4.170 0.008 0.000 0.240 315 I C 2.626 178.749 176.117 0.010 0.000 1.078 315 I CA 1.960 63.281 61.300 0.035 0.000 1.343 315 I CB -0.763 37.302 38.000 0.108 0.000 1.046 315 I HN 0.289 nan 8.210 nan 0.000 0.405 316 T N 0.201 114.748 114.554 -0.010 0.000 2.635 316 T HA -0.212 4.142 4.350 0.008 0.000 0.267 316 T C 1.894 176.592 174.700 -0.003 0.000 1.040 316 T CA 2.285 64.388 62.100 0.006 0.000 1.156 316 T CB -0.481 68.390 68.868 0.005 0.000 0.863 316 T HN 0.384 nan 8.240 nan 0.000 0.430 317 T N 0.957 115.484 114.554 -0.046 0.000 2.720 317 T HA -0.169 4.186 4.350 0.008 0.000 0.268 317 T C 2.263 176.948 174.700 -0.025 0.000 1.037 317 T CA 1.324 63.398 62.100 -0.043 0.000 1.144 317 T CB -0.851 67.963 68.868 -0.090 0.000 0.864 317 T HN 0.548 nan 8.240 nan 0.000 0.444 318 C N 1.164 120.422 119.300 -0.071 0.000 2.442 318 C HA -0.028 4.437 4.460 0.008 0.000 0.279 318 C C 2.526 177.546 174.990 0.051 0.000 1.237 318 C CA 0.482 59.480 59.018 -0.032 0.000 1.722 318 C CB -1.412 26.332 27.740 0.006 0.000 2.056 318 C HN 0.376 nan 8.230 nan 0.000 0.469 319 L N 1.752 123.009 121.223 0.056 0.000 2.012 319 L HA -0.054 4.291 4.340 0.008 0.000 0.210 319 L C 2.904 179.806 176.870 0.054 0.000 1.073 319 L CA 2.422 57.299 54.840 0.060 0.000 0.748 319 L CB -1.522 40.572 42.059 0.058 0.000 0.891 319 L HN 0.487 nan 8.230 nan 0.000 0.431 320 A N -0.986 121.864 122.820 0.051 0.000 1.877 320 A HA -0.184 4.141 4.320 0.008 0.000 0.216 320 A C 2.330 179.945 177.584 0.051 0.000 1.186 320 A CA 1.753 53.822 52.037 0.055 0.000 0.620 320 A CB -0.761 18.273 19.000 0.058 0.000 0.822 320 A HN 0.407 nan 8.150 nan 0.000 0.443 321 L N -0.887 120.373 121.223 0.061 0.000 2.141 321 L HA -0.074 4.270 4.340 0.008 0.000 0.209 321 L C 2.768 179.673 176.870 0.059 0.000 1.094 321 L CA 0.886 55.764 54.840 0.062 0.000 0.763 321 L CB -0.628 41.506 42.059 0.125 0.000 0.908 321 L HN 0.503 nan 8.230 nan 0.000 0.437 322 G N -0.983 107.861 108.800 0.074 0.000 2.408 322 G HA2 -0.195 3.769 3.960 0.008 0.000 0.217 322 G HA3 -0.195 3.769 3.960 0.008 0.000 0.217 322 G C 1.584 176.506 174.900 0.037 0.000 1.150 322 G CA 1.094 46.231 45.100 0.062 0.000 0.776 322 G HN 0.239 nan 8.290 nan 0.000 0.542 323 T N 0.777 115.351 114.554 0.035 0.000 2.777 323 T HA -0.069 4.285 4.350 0.008 0.000 0.266 323 T C 2.496 177.206 174.700 0.016 0.000 1.040 323 T CA 0.985 63.098 62.100 0.023 0.000 1.141 323 T CB -0.136 68.747 68.868 0.025 0.000 0.868 323 T HN 0.272 nan 8.240 nan 0.000 0.444 324 R N 0.685 121.196 120.500 0.018 0.000 2.120 324 R HA 0.003 4.347 4.340 0.008 0.000 0.234 324 R C 2.629 178.930 176.300 0.002 0.000 1.123 324 R CA 1.004 57.111 56.100 0.010 0.000 0.975 324 R CB -0.214 30.091 30.300 0.008 0.000 0.866 324 R HN 0.278 nan 8.270 nan 0.000 0.446 325 R N 0.759 121.261 120.500 0.003 0.000 2.090 325 R HA -0.008 4.336 4.340 0.008 0.000 0.228 325 R C 2.163 178.464 176.300 0.001 0.000 1.110 325 R CA 1.141 57.240 56.100 -0.002 0.000 0.973 325 R CB 0.028 30.328 30.300 0.001 0.000 0.869 325 R HN 0.171 nan 8.270 nan 0.000 0.440 326 M N -0.277 119.325 119.600 0.005 0.000 2.175 326 M HA -0.044 4.440 4.480 0.008 0.000 0.264 326 M C 2.393 178.691 176.300 -0.004 0.000 1.063 326 M CA 1.482 56.782 55.300 -0.000 0.000 1.119 326 M CB -0.143 32.457 32.600 -0.001 0.000 1.377 326 M HN 0.235 nan 8.290 nan 0.000 0.415 327 A N 0.742 123.561 122.820 -0.002 0.000 1.978 327 A HA -0.163 4.162 4.320 0.008 0.000 0.220 327 A C 2.132 179.714 177.584 -0.003 0.000 1.170 327 A CA 1.481 53.516 52.037 -0.003 0.000 0.636 327 A CB -0.480 18.520 19.000 0.001 0.000 0.810 327 A HN 0.380 nan 8.150 nan 0.000 0.448 328 K N -0.190 120.209 120.400 -0.002 0.000 2.148 328 K HA -0.051 4.274 4.320 0.008 0.000 0.204 328 K C 0.959 177.558 176.600 -0.001 0.000 1.050 328 K CA 0.825 57.111 56.287 -0.001 0.000 0.942 328 K CB -0.090 32.409 32.500 -0.002 0.000 0.724 328 K HN 0.331 nan 8.250 nan 0.000 0.446 329 K N 0.955 121.353 120.400 -0.003 0.000 2.458 329 K HA 0.051 4.375 4.320 0.008 0.000 0.194 329 K C -0.042 176.553 176.600 -0.008 0.000 1.024 329 K CA 0.010 56.294 56.287 -0.004 0.000 1.108 329 K CB 0.023 32.519 32.500 -0.006 0.000 0.846 329 K HN 0.160 nan 8.250 nan 0.000 0.518 330 N N -0.348 118.348 118.700 -0.008 0.000 2.901 330 N HA -0.153 4.591 4.740 0.008 0.000 0.248 330 N C -0.569 174.930 175.510 -0.018 0.000 1.044 330 N CA 0.997 54.041 53.050 -0.010 0.000 0.847 330 N CB -1.268 37.214 38.487 -0.008 0.000 1.127 330 N HN 0.284 nan 8.380 nan 0.000 0.562 331 A N 0.682 123.490 122.820 -0.020 0.000 2.316 331 A HA 0.639 4.964 4.320 0.008 0.000 0.324 331 A C 0.165 177.736 177.584 -0.022 0.000 1.375 331 A CA -0.441 51.579 52.037 -0.029 0.000 0.882 331 A CB 0.328 19.307 19.000 -0.035 0.000 1.152 331 A HN 0.154 nan 8.150 nan 0.000 0.512 332 I N 2.837 123.394 120.570 -0.022 0.000 2.337 332 I HA 0.184 4.358 4.170 0.008 0.000 0.291 332 I C 0.055 176.160 176.117 -0.021 0.000 1.046 332 I CA 0.140 61.430 61.300 -0.018 0.000 1.324 332 I CB 1.367 39.356 38.000 -0.017 0.000 1.409 332 I HN 0.320 nan 8.210 nan 0.000 0.494 333 V N 8.097 128.001 119.914 -0.017 0.000 2.383 333 V HA 0.319 4.444 4.120 0.008 0.000 0.275 333 V C 1.222 177.303 176.094 -0.021 0.000 1.036 333 V CA -0.520 61.768 62.300 -0.019 0.000 0.889 333 V CB 0.945 32.761 31.823 -0.011 0.000 0.985 333 V HN 0.663 nan 8.190 nan 0.000 0.459 334 R N 2.113 122.596 120.500 -0.028 0.000 2.280 334 R HA 0.164 4.509 4.340 0.008 0.000 0.195 334 R C 0.690 176.967 176.300 -0.037 0.000 0.935 334 R CA 0.244 56.323 56.100 -0.036 0.000 1.033 334 R CB 0.509 30.787 30.300 -0.038 0.000 0.964 334 R HN 0.552 nan 8.270 nan 0.000 0.489 335 S N 0.867 116.550 115.700 -0.028 0.000 2.745 335 S HA 0.198 4.673 4.470 0.008 0.000 0.283 335 S C 0.997 175.589 174.600 -0.013 0.000 1.170 335 S CA -0.622 57.562 58.200 -0.025 0.000 1.119 335 S CB 0.591 63.775 63.200 -0.027 0.000 1.035 335 S HN 0.029 nan 8.310 nan 0.000 0.483 336 L N 4.908 126.129 121.223 -0.005 0.000 2.021 336 L HA -0.029 4.316 4.340 0.008 0.000 0.215 336 L C -0.760 176.117 176.870 0.012 0.000 1.074 336 L CA 2.214 57.060 54.840 0.011 0.000 0.760 336 L CB -2.578 39.495 42.059 0.023 0.000 0.889 336 L HN 0.498 nan 8.230 nan 0.000 0.433 337 P HA -0.081 nan 4.420 nan 0.000 0.226 337 P C 1.698 178.995 177.300 -0.005 0.000 1.146 337 P CA 0.972 64.076 63.100 0.006 0.000 0.773 337 P CB 0.075 31.774 31.700 -0.001 0.000 0.772 338 S N -1.213 114.481 115.700 -0.010 0.000 2.414 338 S HA -0.070 4.404 4.470 0.008 0.000 0.227 338 S C 1.916 176.504 174.600 -0.020 0.000 1.022 338 S CA 0.735 58.922 58.200 -0.021 0.000 0.958 338 S CB -0.974 62.211 63.200 -0.024 0.000 0.797 338 S HN 0.004 nan 8.310 nan 0.000 0.493 339 V N 3.053 122.964 119.914 -0.005 0.000 2.282 339 V HA -0.306 3.818 4.120 0.008 0.000 0.249 339 V C 2.411 178.506 176.094 0.001 0.000 1.057 339 V CA 2.242 64.544 62.300 0.004 0.000 1.032 339 V CB -1.067 30.770 31.823 0.024 0.000 0.645 339 V HN 0.634 nan 8.190 nan 0.000 0.447 340 E N 0.454 120.657 120.200 0.005 0.000 2.051 340 E HA -0.198 4.156 4.350 0.008 0.000 0.192 340 E C 2.100 178.630 176.600 -0.117 0.000 0.991 340 E CA 1.813 58.200 56.400 -0.022 0.000 0.799 340 E CB -0.731 28.973 29.700 0.006 0.000 0.748 340 E HN 0.602 nan 8.360 nan 0.000 0.449 341 T N 1.854 116.353 114.554 -0.091 0.000 2.867 341 T HA -0.066 4.288 4.350 0.008 0.000 0.268 341 T C 1.875 176.524 174.700 -0.085 0.000 1.057 341 T CA 0.522 62.561 62.100 -0.102 0.000 1.136 341 T CB -0.165 68.661 68.868 -0.070 0.000 0.874 341 T HN 0.097 nan 8.240 nan 0.000 0.466 342 L N 0.942 122.128 121.223 -0.063 0.000 1.989 342 L HA -0.072 4.272 4.340 0.008 0.000 0.211 342 L C 2.827 179.665 176.870 -0.054 0.000 1.071 342 L CA 1.718 56.526 54.840 -0.054 0.000 0.749 342 L CB -0.940 41.092 42.059 -0.044 0.000 0.890 342 L HN 0.400 nan 8.230 nan 0.000 0.431 343 G N -1.677 107.093 108.800 -0.050 0.000 2.501 343 G HA2 -0.319 3.646 3.960 0.008 0.000 0.220 343 G HA3 -0.319 3.646 3.960 0.008 0.000 0.220 343 G C 1.543 176.408 174.900 -0.059 0.000 1.114 343 G CA 0.806 45.883 45.100 -0.039 0.000 0.757 343 G HN 0.552 nan 8.290 nan 0.000 0.559 344 C N 1.113 120.355 119.300 -0.096 0.000 2.697 344 C HA 0.327 4.792 4.460 0.008 0.000 0.267 344 C C 1.405 176.356 174.990 -0.065 0.000 1.278 344 C CA -0.180 58.774 59.018 -0.106 0.000 1.708 344 C CB -1.355 26.281 27.740 -0.174 0.000 1.860 344 C HN 0.242 nan 8.230 nan 0.000 0.589 345 T N 1.499 116.022 114.554 -0.052 0.000 2.908 345 T HA 0.123 4.478 4.350 0.008 0.000 0.301 345 T C 1.210 175.897 174.700 -0.022 0.000 1.019 345 T CA 0.937 63.016 62.100 -0.035 0.000 1.152 345 T CB 0.912 69.760 68.868 -0.034 0.000 0.966 345 T HN 0.703 nan 8.240 nan 0.000 0.540 346 S N 1.245 116.937 115.700 -0.014 0.000 2.549 346 S HA 0.301 4.776 4.470 0.008 0.000 0.225 346 S C 0.247 174.846 174.600 -0.002 0.000 1.039 346 S CA -0.420 57.776 58.200 -0.007 0.000 0.942 346 S CB 0.430 63.626 63.200 -0.006 0.000 0.881 346 S HN 0.417 nan 8.310 nan 0.000 0.503 347 V N 2.282 122.196 119.914 0.001 0.000 2.623 347 V HA 0.535 4.660 4.120 0.008 0.000 0.304 347 V C -1.028 175.074 176.094 0.013 0.000 1.054 347 V CA -0.740 61.565 62.300 0.009 0.000 0.882 347 V CB 1.707 33.536 31.823 0.010 0.000 1.002 347 V HN 0.379 nan 8.190 nan 0.000 0.424 348 I N 3.629 124.216 120.570 0.028 0.000 2.354 348 I HA 0.363 4.537 4.170 0.008 0.000 0.286 348 I C -0.203 175.949 176.117 0.057 0.000 1.007 348 I CA -0.146 61.179 61.300 0.042 0.000 1.167 348 I CB 1.289 39.334 38.000 0.075 0.000 1.320 348 I HN 0.548 nan 8.210 nan 0.000 0.458 349 C N 4.262 123.586 119.300 0.041 0.000 2.452 349 C HA 0.521 4.985 4.460 0.008 0.000 0.379 349 C C 0.709 175.736 174.990 0.061 0.000 1.275 349 C CA -0.081 58.962 59.018 0.041 0.000 2.056 349 C CB 0.671 28.420 27.740 0.014 0.000 2.506 349 C HN 0.774 nan 8.230 nan 0.000 0.560 350 S N 1.401 117.141 115.700 0.067 0.000 2.547 350 S HA 0.386 4.861 4.470 0.008 0.000 0.281 350 S C -0.980 173.649 174.600 0.049 0.000 1.118 350 S CA -0.533 57.719 58.200 0.088 0.000 0.947 350 S CB 1.131 64.422 63.200 0.151 0.000 1.053 350 S HN 0.866 nan 8.310 nan 0.000 0.482 351 D N 2.468 122.898 120.400 0.049 0.000 2.357 351 D HA 0.268 4.912 4.640 0.008 0.000 0.242 351 D C 0.933 177.244 176.300 0.017 0.000 1.153 351 D CA 0.039 54.056 54.000 0.027 0.000 0.918 351 D CB 0.878 41.692 40.800 0.025 0.000 1.181 351 D HN 0.549 nan 8.370 nan 0.000 0.435 352 K N 0.469 120.869 120.400 -0.000 0.000 2.159 352 K HA 0.065 4.390 4.320 0.008 0.000 0.210 352 K C 0.052 176.642 176.600 -0.016 0.000 1.026 352 K CA 0.081 56.355 56.287 -0.022 0.000 0.959 352 K CB -0.191 32.291 32.500 -0.031 0.000 0.890 352 K HN 0.464 nan 8.250 nan 0.000 0.459 353 T N 1.169 115.717 114.554 -0.010 0.000 2.793 353 T HA 0.207 4.561 4.350 0.008 0.000 0.289 353 T C 0.653 175.354 174.700 0.001 0.000 0.956 353 T CA 0.840 62.936 62.100 -0.008 0.000 1.177 353 T CB 0.474 69.340 68.868 -0.002 0.000 0.897 353 T HN 0.687 nan 8.240 nan 0.000 0.533 354 G N 3.272 112.070 108.800 -0.003 0.000 2.179 354 G HA2 -0.307 3.658 3.960 0.008 0.000 0.260 354 G HA3 -0.307 3.658 3.960 0.008 0.000 0.260 354 G C 0.793 175.706 174.900 0.022 0.000 0.977 354 G CA 0.605 45.709 45.100 0.007 0.000 0.641 354 G HN 0.707 nan 8.290 nan 0.000 0.533 355 T N -0.497 114.073 114.554 0.028 0.000 3.311 355 T HA 0.300 4.654 4.350 0.008 0.000 0.239 355 T C 1.877 176.617 174.700 0.066 0.000 0.976 355 T CA 0.911 63.053 62.100 0.070 0.000 1.283 355 T CB -0.142 68.777 68.868 0.084 0.000 1.113 355 T HN 0.048 nan 8.240 nan 0.000 0.392 356 L N 2.106 123.325 121.223 -0.006 0.000 2.270 356 L HA 0.258 4.603 4.340 0.008 0.000 0.210 356 L C 1.408 178.225 176.870 -0.089 0.000 1.104 356 L CA 1.144 55.916 54.840 -0.113 0.000 0.804 356 L CB -0.852 41.107 42.059 -0.166 0.000 0.937 356 L HN 0.490 nan 8.230 nan 0.000 0.450 357 T N -5.865 108.656 114.554 -0.054 0.000 2.949 357 T HA 0.323 4.677 4.350 0.008 0.000 0.287 357 T C 1.190 175.865 174.700 -0.042 0.000 1.034 357 T CA 0.131 62.198 62.100 -0.055 0.000 1.018 357 T CB 1.339 70.174 68.868 -0.054 0.000 1.135 357 T HN 0.145 nan 8.240 nan 0.000 0.532 358 T N -1.780 112.739 114.554 -0.059 0.000 3.067 358 T HA 0.088 4.442 4.350 0.008 0.000 0.261 358 T C 0.990 175.645 174.700 -0.076 0.000 1.110 358 T CA 0.807 62.867 62.100 -0.067 0.000 1.113 358 T CB -0.907 67.900 68.868 -0.102 0.000 0.917 358 T HN 0.974 nan 8.240 nan 0.000 0.499 359 N N 0.915 119.571 118.700 -0.074 0.000 2.780 359 N HA -0.174 4.571 4.740 0.008 0.000 0.248 359 N C -1.177 174.266 175.510 -0.111 0.000 1.102 359 N CA 0.207 53.226 53.050 -0.052 0.000 0.697 359 N CB -0.832 37.650 38.487 -0.008 0.000 1.028 359 N HN 0.693 nan 8.380 nan 0.000 0.554 360 Q N 0.950 120.598 119.800 -0.252 0.000 2.444 360 Q HA 0.262 4.607 4.340 0.008 0.000 0.251 360 Q C -0.427 175.306 176.000 -0.445 0.000 0.939 360 Q CA -0.764 54.642 55.803 -0.662 0.000 0.740 360 Q CB 1.249 29.347 28.738 -1.066 0.000 1.308 360 Q HN 0.216 nan 8.270 nan 0.000 0.461 361 M N 1.770 121.300 119.600 -0.116 0.000 2.274 361 M HA 0.018 4.502 4.480 0.008 0.000 0.377 361 M C -0.386 175.916 176.300 0.004 0.000 1.428 361 M CA 1.133 56.447 55.300 0.024 0.000 0.907 361 M CB -0.134 32.558 32.600 0.153 0.000 1.974 361 M HN 0.445 nan 8.290 nan 0.000 0.479 362 S N 2.936 118.622 115.700 -0.023 0.000 2.614 362 S HA 0.500 4.975 4.470 0.008 0.000 0.288 362 S C -0.608 173.984 174.600 -0.014 0.000 1.137 362 S CA -0.876 57.309 58.200 -0.024 0.000 0.992 362 S CB 1.866 65.024 63.200 -0.069 0.000 1.026 362 S HN 0.447 nan 8.310 nan 0.000 0.486 363 V N 3.136 123.048 119.914 -0.003 0.000 2.439 363 V HA 0.070 4.195 4.120 0.008 0.000 0.271 363 V C 1.214 177.289 176.094 -0.032 0.000 1.040 363 V CA -0.215 62.080 62.300 -0.009 0.000 1.002 363 V CB 0.080 31.901 31.823 -0.003 0.000 1.000 363 V HN 1.209 nan 8.190 nan 0.000 0.477 364 C N 2.703 121.969 119.300 -0.057 0.000 3.228 364 C HA 0.498 4.962 4.460 0.008 0.000 0.290 364 C C 0.596 175.520 174.990 -0.110 0.000 1.301 364 C CA -0.636 58.334 59.018 -0.079 0.000 1.703 364 C CB -0.957 26.725 27.740 -0.097 0.000 2.141 364 C HN 0.750 nan 8.230 nan 0.000 0.656 365 K N 1.245 121.566 120.400 -0.132 0.000 2.532 365 K HA 0.746 5.071 4.320 0.008 0.000 0.265 365 K C -1.002 175.632 176.600 0.057 0.000 0.948 365 K CA -0.283 55.892 56.287 -0.187 0.000 0.842 365 K CB 2.347 34.412 32.500 -0.726 0.000 1.392 365 K HN 0.554 nan 8.250 nan 0.000 0.436 366 M N 0.416 120.197 119.600 0.303 0.000 2.732 366 M HA 0.644 5.129 4.480 0.008 0.000 0.272 366 M C -1.816 174.872 176.300 0.647 0.000 1.203 366 M CA -0.979 54.583 55.300 0.437 0.000 0.841 366 M CB 2.009 34.703 32.600 0.157 0.000 1.685 366 M HN 0.608 nan 8.290 nan 0.000 0.492 367 F N 0.835 120.992 119.950 0.346 0.000 2.693 367 F HA 0.900 5.431 4.527 0.008 0.000 0.309 367 F C -1.743 174.136 175.800 0.131 0.000 1.129 367 F CA -1.038 57.116 58.000 0.257 0.000 0.948 367 F CB 1.255 40.355 39.000 0.167 0.000 1.315 367 F HN 0.869 nan 8.300 nan 0.000 0.447 368 I N -0.063 120.799 120.570 0.487 0.000 3.322 368 I HA 0.664 4.838 4.170 0.008 0.000 0.313 368 I C -1.313 175.009 176.117 0.341 0.000 1.129 368 I CA -1.454 60.025 61.300 0.297 0.000 0.963 368 I CB 2.162 40.245 38.000 0.138 0.000 1.273 368 I HN 0.465 nan 8.210 nan 0.000 0.473 369 I N 2.120 122.836 120.570 0.242 0.000 2.315 369 I HA 0.203 4.377 4.170 0.008 0.000 0.291 369 I C 0.315 176.493 176.117 0.102 0.000 1.006 369 I CA 0.220 61.620 61.300 0.167 0.000 1.265 369 I CB 0.583 38.691 38.000 0.179 0.000 1.387 369 I HN 0.784 nan 8.210 nan 0.000 0.475 370 D N 4.966 125.397 120.400 0.052 0.000 2.216 370 D HA 0.035 4.680 4.640 0.008 0.000 0.208 370 D C 0.518 176.845 176.300 0.046 0.000 0.960 370 D CA 1.169 55.205 54.000 0.060 0.000 0.861 370 D CB 0.778 41.600 40.800 0.037 0.000 0.985 370 D HN 0.565 nan 8.370 nan 0.000 0.493 371 K N -0.878 119.520 120.400 -0.003 0.000 2.587 371 K HA 0.478 4.803 4.320 0.008 0.000 0.276 371 K C -2.147 174.407 176.600 -0.077 0.000 0.956 371 K CA -0.803 55.480 56.287 -0.007 0.000 0.857 371 K CB 2.001 34.517 32.500 0.028 0.000 1.431 371 K HN -0.228 nan 8.250 nan 0.000 0.420 372 V N 2.767 122.661 119.914 -0.034 0.000 2.482 372 V HA 0.295 4.419 4.120 0.008 0.000 0.295 372 V C -1.215 174.887 176.094 0.012 0.000 1.026 372 V CA -0.690 61.576 62.300 -0.057 0.000 0.856 372 V CB 1.772 33.579 31.823 -0.026 0.000 1.001 372 V HN 0.787 nan 8.190 nan 0.000 0.424 373 D N 4.314 124.744 120.400 0.050 0.000 2.772 373 D HA 0.417 5.061 4.640 0.008 0.000 0.273 373 D C 1.113 177.474 176.300 0.101 0.000 1.233 373 D CA 0.913 54.985 54.000 0.120 0.000 0.984 373 D CB 1.311 42.256 40.800 0.243 0.000 1.000 373 D HN 0.837 nan 8.370 nan 0.000 0.514 374 G N 2.572 111.406 108.800 0.057 0.000 4.430 374 G HA2 -0.398 3.567 3.960 0.008 0.000 0.332 374 G HA3 -0.398 3.567 3.960 0.008 0.000 0.332 374 G C 0.960 175.882 174.900 0.037 0.000 1.338 374 G CA 0.509 45.636 45.100 0.044 0.000 1.024 374 G HN 0.405 nan 8.290 nan 0.000 0.750 375 D N 0.004 120.442 120.400 0.063 0.000 2.301 375 D HA 0.298 4.942 4.640 0.008 0.000 0.206 375 D C 0.809 177.165 176.300 0.092 0.000 0.979 375 D CA 0.300 54.335 54.000 0.058 0.000 0.874 375 D CB 0.156 40.992 40.800 0.060 0.000 0.968 375 D HN 0.245 nan 8.370 nan 0.000 0.510 376 F N 1.882 121.822 119.950 -0.018 0.000 2.397 376 F HA 0.421 4.952 4.527 0.008 0.000 0.331 376 F C -0.344 175.445 175.800 -0.019 0.000 1.090 376 F CA -1.387 56.599 58.000 -0.023 0.000 1.065 376 F CB 0.911 39.898 39.000 -0.021 0.000 1.184 376 F HN 0.063 nan 8.300 nan 0.000 0.499 377 C N 3.447 121.977 119.300 -1.285 0.000 2.782 377 C HA 0.825 5.290 4.460 0.008 0.000 0.328 377 C C -0.922 173.399 174.990 -1.115 0.000 1.145 377 C CA -0.430 58.002 59.018 -0.976 0.000 1.358 377 C CB 0.699 28.192 27.740 -0.412 0.000 1.841 377 C HN 1.080 nan 8.230 nan 0.000 0.477 378 S N 3.970 119.249 115.700 -0.702 0.000 2.475 378 S HA 0.781 5.256 4.470 0.008 0.000 0.298 378 S C -0.605 173.869 174.600 -0.209 0.000 1.119 378 S CA -0.685 57.297 58.200 -0.363 0.000 1.085 378 S CB 0.888 64.028 63.200 -0.100 0.000 1.028 378 S HN 0.877 nan 8.310 nan 0.000 0.489 379 L N 2.519 123.612 121.223 -0.217 0.000 2.343 379 L HA 0.515 4.860 4.340 0.008 0.000 0.275 379 L C 0.134 176.924 176.870 -0.135 0.000 1.056 379 L CA -0.883 53.835 54.840 -0.202 0.000 0.804 379 L CB 0.724 42.469 42.059 -0.522 0.000 1.203 379 L HN 0.661 nan 8.230 nan 0.000 0.440 380 N N 2.050 120.718 118.700 -0.055 0.000 2.546 380 N HA 0.180 4.925 4.740 0.008 0.000 0.238 380 N C -0.892 174.522 175.510 -0.159 0.000 0.984 380 N CA -0.258 52.689 53.050 -0.172 0.000 0.935 380 N CB 0.699 39.094 38.487 -0.154 0.000 1.122 380 N HN 0.569 nan 8.380 nan 0.000 0.510 381 E N 2.231 122.287 120.200 -0.240 0.000 2.231 381 E HA 0.390 4.745 4.350 0.008 0.000 0.277 381 E C -0.772 175.627 176.600 -0.335 0.000 0.999 381 E CA -0.347 56.038 56.400 -0.024 0.000 0.827 381 E CB 1.153 30.925 29.700 0.121 0.000 1.101 381 E HN 0.398 nan 8.360 nan 0.000 0.393 382 F N 0.293 120.303 119.950 0.101 0.000 2.603 382 F HA 0.405 4.937 4.527 0.008 0.000 0.317 382 F C 0.263 176.067 175.800 0.005 0.000 1.066 382 F CA -0.857 57.153 58.000 0.017 0.000 0.941 382 F CB 1.882 40.867 39.000 -0.025 0.000 1.291 382 F HN 0.351 nan 8.300 nan 0.000 0.472 383 S N 1.685 117.490 115.700 0.174 0.000 2.638 383 S HA 0.893 5.367 4.470 0.008 0.000 0.302 383 S C -1.419 173.210 174.600 0.048 0.000 1.096 383 S CA -0.713 57.515 58.200 0.048 0.000 0.953 383 S CB 2.007 65.200 63.200 -0.011 0.000 1.107 383 S HN 0.400 nan 8.310 nan 0.000 0.503 384 I N 2.243 122.813 120.570 -0.001 0.000 2.533 384 I HA 0.396 4.571 4.170 0.008 0.000 0.290 384 I C 0.538 176.640 176.117 -0.024 0.000 1.056 384 I CA -0.372 60.922 61.300 -0.009 0.000 1.057 384 I CB 1.437 39.424 38.000 -0.022 0.000 1.240 384 I HN 1.009 nan 8.210 nan 0.000 0.423 385 T N 1.091 115.633 114.554 -0.019 0.000 2.881 385 T HA 0.838 5.193 4.350 0.008 0.000 0.278 385 T C 0.314 174.997 174.700 -0.029 0.000 0.982 385 T CA -0.247 61.838 62.100 -0.025 0.000 0.989 385 T CB 1.849 70.707 68.868 -0.017 0.000 1.058 385 T HN 1.423 nan 8.240 nan 0.000 0.529 386 G N -0.213 108.568 108.800 -0.031 0.000 2.906 386 G HA2 0.132 4.097 3.960 0.008 0.000 0.686 386 G HA3 0.132 4.097 3.960 0.008 0.000 0.686 386 G C -0.083 174.788 174.900 -0.048 0.000 1.170 386 G CA -0.267 44.812 45.100 -0.034 0.000 0.775 386 G HN 0.934 nan 8.290 nan 0.000 0.630 387 S N 0.091 115.759 115.700 -0.054 0.000 2.730 387 S HA 0.518 4.993 4.470 0.008 0.000 0.244 387 S C 0.955 175.481 174.600 -0.123 0.000 1.022 387 S CA 0.814 58.965 58.200 -0.080 0.000 1.014 387 S CB 0.561 63.721 63.200 -0.067 0.000 0.963 387 S HN 1.713 nan 8.310 nan 0.000 0.540 388 T N -2.262 112.224 114.554 -0.114 0.000 2.804 388 T HA 0.519 4.874 4.350 0.008 0.000 0.290 388 T C 0.092 174.714 174.700 -0.130 0.000 1.099 388 T CA -0.576 61.420 62.100 -0.172 0.000 1.011 388 T CB 0.450 69.289 68.868 -0.049 0.000 1.291 388 T HN -0.080 nan 8.240 nan 0.000 0.523 389 Y N 0.699 121.013 120.300 0.024 0.000 2.571 389 Y HA 0.456 5.010 4.550 0.008 0.000 0.294 389 Y C 1.920 177.772 175.900 -0.081 0.000 1.141 389 Y CA -0.202 57.898 58.100 0.000 0.000 1.308 389 Y CB -1.088 37.400 38.460 0.048 0.000 1.002 389 Y HN 0.860 nan 8.280 nan 0.000 0.551 390 A N 2.567 125.425 122.820 0.064 0.000 2.540 390 A HA 0.109 4.434 4.320 0.008 0.000 0.239 390 A C -1.672 175.755 177.584 -0.261 0.000 1.061 390 A CA -0.962 50.953 52.037 -0.203 0.000 0.758 390 A CB -0.245 18.811 19.000 0.094 0.000 0.991 390 A HN 0.100 nan 8.150 nan 0.000 0.502 391 P HA 0.106 nan 4.420 nan 0.000 0.237 391 P C -0.658 176.557 177.300 -0.140 0.000 1.723 391 P CA 0.450 63.404 63.100 -0.244 0.000 0.882 391 P CB -0.333 31.201 31.700 -0.276 0.000 1.810 392 E N 0.406 120.549 120.200 -0.095 0.000 2.176 392 E HA 0.661 5.015 4.350 0.008 0.000 0.267 392 E C 0.288 176.869 176.600 -0.033 0.000 0.893 392 E CA -0.727 55.647 56.400 -0.043 0.000 0.761 392 E CB 1.826 31.521 29.700 -0.008 0.000 1.133 392 E HN 0.243 nan 8.360 nan 0.000 0.409 393 G N 2.366 111.150 108.800 -0.026 0.000 2.347 393 G HA2 0.094 4.059 3.960 0.008 0.000 0.321 393 G HA3 0.094 4.059 3.960 0.008 0.000 0.321 393 G C -1.540 173.348 174.900 -0.020 0.000 1.412 393 G CA -0.987 44.100 45.100 -0.022 0.000 0.990 393 G HN 0.450 nan 8.290 nan 0.000 0.637 394 E N -1.205 118.987 120.200 -0.013 0.000 2.359 394 E HA 0.654 5.009 4.350 0.008 0.000 0.266 394 E C -0.912 175.688 176.600 -0.001 0.000 0.920 394 E CA -1.147 55.249 56.400 -0.007 0.000 0.788 394 E CB 2.897 32.600 29.700 0.005 0.000 1.279 394 E HN 0.368 nan 8.360 nan 0.000 0.438 395 V N 2.507 122.421 119.914 0.002 0.000 2.406 395 V HA 0.254 4.379 4.120 0.008 0.000 0.272 395 V C -0.229 175.915 176.094 0.084 0.000 1.043 395 V CA -0.365 61.944 62.300 0.017 0.000 0.915 395 V CB 0.248 32.042 31.823 -0.050 0.000 0.988 395 V HN 0.437 nan 8.190 nan 0.000 0.466 396 L N 4.508 125.803 121.223 0.121 0.000 2.334 396 L HA 0.707 5.052 4.340 0.008 0.000 0.273 396 L C -0.345 176.638 176.870 0.188 0.000 1.013 396 L CA -0.946 53.971 54.840 0.129 0.000 0.816 396 L CB 1.985 44.082 42.059 0.065 0.000 1.278 396 L HN 0.447 nan 8.230 nan 0.000 0.431 397 K N 2.406 122.884 120.400 0.130 0.000 2.502 397 K HA 0.349 4.673 4.320 0.008 0.000 0.254 397 K C -0.365 176.231 176.600 -0.007 0.000 0.947 397 K CA -0.335 55.964 56.287 0.020 0.000 0.834 397 K CB 0.575 33.101 32.500 0.042 0.000 1.112 397 K HN 0.530 nan 8.250 nan 0.000 0.427 398 N N 4.372 123.046 118.700 -0.043 0.000 2.735 398 N HA -0.224 4.520 4.740 0.008 0.000 0.248 398 N C -1.032 174.475 175.510 -0.005 0.000 1.083 398 N CA 1.441 54.475 53.050 -0.027 0.000 0.703 398 N CB -0.922 37.551 38.487 -0.022 0.000 1.005 398 N HN 1.006 nan 8.380 nan 0.000 0.550 399 D N -2.366 118.036 120.400 0.003 0.000 3.079 399 D HA -0.187 4.458 4.640 0.008 0.000 0.214 399 D C -0.283 176.029 176.300 0.019 0.000 1.145 399 D CA 1.220 55.225 54.000 0.008 0.000 0.958 399 D CB -0.708 40.091 40.800 -0.001 0.000 1.117 399 D HN 0.568 nan 8.370 nan 0.000 0.416 400 K N 0.394 120.814 120.400 0.032 0.000 2.324 400 K HA 0.470 4.795 4.320 0.008 0.000 0.253 400 K C -2.710 173.926 176.600 0.061 0.000 0.932 400 K CA -1.734 54.577 56.287 0.039 0.000 0.799 400 K CB 2.217 34.739 32.500 0.037 0.000 1.154 400 K HN -0.234 nan 8.250 nan 0.000 0.425 401 P HA -0.017 nan 4.420 nan 0.000 0.266 401 P C -0.910 176.442 177.300 0.087 0.000 1.195 401 P CA 0.040 63.177 63.100 0.062 0.000 0.768 401 P CB 0.329 32.053 31.700 0.039 0.000 0.838 402 I N -0.642 119.994 120.570 0.110 0.000 3.195 402 I HA 0.628 4.803 4.170 0.008 0.000 0.313 402 I C -0.995 175.186 176.117 0.107 0.000 1.237 402 I CA -1.282 60.106 61.300 0.146 0.000 0.963 402 I CB 1.715 39.886 38.000 0.285 0.000 1.278 402 I HN -0.089 nan 8.210 nan 0.000 0.460 403 R N 2.121 122.680 120.500 0.098 0.000 2.215 403 R HA 0.445 4.789 4.340 0.008 0.000 0.336 403 R C 0.522 176.857 176.300 0.058 0.000 0.996 403 R CA -0.542 55.581 56.100 0.039 0.000 0.847 403 R CB 0.920 31.222 30.300 0.003 0.000 1.127 403 R HN 0.878 nan 8.270 nan 0.000 0.465 404 S N 1.874 117.572 115.700 -0.003 0.000 2.402 404 S HA -0.165 4.310 4.470 0.008 0.000 0.233 404 S C 1.895 176.481 174.600 -0.025 0.000 1.030 404 S CA 1.794 59.966 58.200 -0.046 0.000 1.003 404 S CB -0.044 63.048 63.200 -0.181 0.000 0.813 404 S HN 0.873 nan 8.310 nan 0.000 0.477 405 G N 1.132 109.876 108.800 -0.094 0.000 2.501 405 G HA2 -0.209 3.755 3.960 0.008 0.000 0.220 405 G HA3 -0.209 3.755 3.960 0.008 0.000 0.220 405 G C 1.201 176.026 174.900 -0.124 0.000 1.114 405 G CA 0.381 45.394 45.100 -0.145 0.000 0.757 405 G HN 0.491 nan 8.290 nan 0.000 0.559 406 Q N -0.788 118.928 119.800 -0.140 0.000 2.488 406 Q HA 0.063 4.407 4.340 0.008 0.000 0.211 406 Q C -0.383 175.303 176.000 -0.522 0.000 0.967 406 Q CA 0.399 55.999 55.803 -0.339 0.000 0.926 406 Q CB 0.160 28.618 28.738 -0.466 0.000 0.992 406 Q HN 0.537 nan 8.270 nan 0.000 0.506 407 F N 0.282 120.207 119.950 -0.042 0.000 2.427 407 F HA 0.204 4.736 4.527 0.008 0.000 0.348 407 F C 0.804 176.568 175.800 -0.059 0.000 1.125 407 F CA -0.977 57.013 58.000 -0.016 0.000 0.989 407 F CB 1.392 40.410 39.000 0.030 0.000 1.165 407 F HN -0.210 nan 8.300 nan 0.000 0.442 408 D N 2.407 122.868 120.400 0.102 0.000 2.182 408 D HA -0.131 4.514 4.640 0.008 0.000 0.201 408 D C 2.248 178.568 176.300 0.034 0.000 0.986 408 D CA 1.407 55.430 54.000 0.040 0.000 0.847 408 D CB -0.097 40.727 40.800 0.039 0.000 0.942 408 D HN 0.814 nan 8.370 nan 0.000 0.467 409 G N 0.625 109.478 108.800 0.088 0.000 2.418 409 G HA2 -0.177 3.787 3.960 0.008 0.000 0.217 409 G HA3 -0.177 3.787 3.960 0.008 0.000 0.217 409 G C 1.757 176.634 174.900 -0.039 0.000 1.158 409 G CA 0.159 45.280 45.100 0.035 0.000 0.771 409 G HN 0.265 nan 8.290 nan 0.000 0.545 410 L N 0.273 121.471 121.223 -0.042 0.000 2.156 410 L HA -0.020 4.325 4.340 0.008 0.000 0.208 410 L C 2.925 179.684 176.870 -0.184 0.000 1.095 410 L CA 0.153 54.897 54.840 -0.160 0.000 0.770 410 L CB -0.350 41.568 42.059 -0.236 0.000 0.914 410 L HN 0.076 nan 8.230 nan 0.000 0.439 411 V N 0.212 120.024 119.914 -0.169 0.000 2.343 411 V HA -0.302 3.823 4.120 0.008 0.000 0.247 411 V C 2.466 178.446 176.094 -0.190 0.000 1.051 411 V CA 2.104 64.252 62.300 -0.253 0.000 1.036 411 V CB -0.352 31.332 31.823 -0.231 0.000 0.654 411 V HN 0.506 nan 8.190 nan 0.000 0.451 412 E N -0.122 119.997 120.200 -0.134 0.000 2.107 412 E HA -0.197 4.157 4.350 0.008 0.000 0.191 412 E C 2.245 178.721 176.600 -0.207 0.000 0.982 412 E CA 1.067 57.380 56.400 -0.145 0.000 0.809 412 E CB -0.089 29.561 29.700 -0.083 0.000 0.756 412 E HN 0.573 nan 8.360 nan 0.000 0.459 413 L N 0.424 121.534 121.223 -0.189 0.000 2.012 413 L HA -0.166 4.178 4.340 0.008 0.000 0.210 413 L C 2.434 179.180 176.870 -0.208 0.000 1.073 413 L CA 1.776 56.494 54.840 -0.204 0.000 0.748 413 L CB -0.366 41.578 42.059 -0.191 0.000 0.891 413 L HN 0.225 nan 8.230 nan 0.000 0.431 414 A N -1.120 121.579 122.820 -0.203 0.000 1.972 414 A HA -0.193 4.131 4.320 0.008 0.000 0.219 414 A C 2.210 179.679 177.584 -0.191 0.000 1.169 414 A CA 2.177 54.104 52.037 -0.183 0.000 0.635 414 A CB -1.023 17.862 19.000 -0.191 0.000 0.810 414 A HN 0.537 nan 8.150 nan 0.000 0.446 415 T N 0.332 114.742 114.554 -0.240 0.000 2.746 415 T HA -0.091 4.264 4.350 0.008 0.000 0.267 415 T C 1.779 176.185 174.700 -0.491 0.000 1.039 415 T CA 1.557 63.464 62.100 -0.323 0.000 1.142 415 T CB -0.387 68.255 68.868 -0.377 0.000 0.866 415 T HN 0.455 nan 8.240 nan 0.000 0.444 416 I N 0.639 120.903 120.570 -0.511 0.000 2.252 416 I HA -0.173 4.002 4.170 0.008 0.000 0.245 416 I C 2.621 178.612 176.117 -0.210 0.000 1.102 416 I CA 0.805 61.851 61.300 -0.423 0.000 1.385 416 I CB -0.447 37.394 38.000 -0.265 0.000 1.064 416 I HN 0.314 nan 8.210 nan 0.000 0.414 417 C N 0.729 119.927 119.300 -0.171 0.000 2.422 417 C HA -0.111 4.354 4.460 0.008 0.000 0.279 417 C C 3.154 178.092 174.990 -0.087 0.000 1.305 417 C CA 0.950 59.905 59.018 -0.106 0.000 1.757 417 C CB -1.219 26.461 27.740 -0.099 0.000 1.962 417 C HN 0.595 nan 8.230 nan 0.000 0.499 418 A N 0.132 122.888 122.820 -0.107 0.000 1.872 418 A HA 0.015 4.340 4.320 0.008 0.000 0.214 418 A C 2.078 179.630 177.584 -0.054 0.000 1.187 418 A CA 1.230 53.224 52.037 -0.071 0.000 0.614 418 A CB -0.442 18.520 19.000 -0.063 0.000 0.826 418 A HN 0.578 nan 8.150 nan 0.000 0.442 419 L N -1.421 119.755 121.223 -0.079 0.000 2.162 419 L HA -0.004 4.340 4.340 0.008 0.000 0.205 419 L C 1.401 178.289 176.870 0.029 0.000 1.086 419 L CA 0.257 55.089 54.840 -0.013 0.000 0.778 419 L CB -0.262 41.808 42.059 0.017 0.000 0.928 419 L HN 0.432 nan 8.230 nan 0.000 0.446 420 C N 2.555 121.866 119.300 0.018 0.000 2.615 420 C HA 0.348 4.813 4.460 0.008 0.000 0.503 420 C C 0.107 175.112 174.990 0.024 0.000 1.039 420 C CA -0.362 58.684 59.018 0.048 0.000 1.226 420 C CB -2.206 25.573 27.740 0.064 0.000 1.447 420 C HN 0.360 nan 8.230 nan 0.000 0.572 421 N N 1.740 120.453 118.700 0.021 0.000 2.554 421 N HA 0.213 4.958 4.740 0.008 0.000 0.271 421 N C -0.647 174.871 175.510 0.013 0.000 1.081 421 N CA -0.214 52.841 53.050 0.008 0.000 0.994 421 N CB 1.529 40.011 38.487 -0.009 0.000 1.641 421 N HN 0.370 nan 8.380 nan 0.000 0.511 422 D N 0.440 120.847 120.400 0.011 0.000 2.363 422 D HA 0.236 4.881 4.640 0.008 0.000 0.214 422 D C -0.127 176.173 176.300 -0.000 0.000 1.093 422 D CA 0.463 54.472 54.000 0.014 0.000 0.837 422 D CB 0.616 41.431 40.800 0.024 0.000 0.948 422 D HN 0.311 nan 8.370 nan 0.000 0.507 423 S N -0.794 114.898 115.700 -0.015 0.000 2.798 423 S HA 0.784 5.258 4.470 0.008 0.000 0.312 423 S C 0.121 174.701 174.600 -0.032 0.000 1.122 423 S CA -0.596 57.586 58.200 -0.031 0.000 0.949 423 S CB 2.083 65.249 63.200 -0.055 0.000 1.235 423 S HN 0.210 nan 8.310 nan 0.000 0.552 424 S N -0.571 115.101 115.700 -0.046 0.000 2.724 424 S HA 0.758 5.233 4.470 0.008 0.000 0.278 424 S C -1.906 172.664 174.600 -0.050 0.000 1.190 424 S CA -0.683 57.496 58.200 -0.034 0.000 0.860 424 S CB 0.752 63.947 63.200 -0.008 0.000 1.206 424 S HN 0.474 nan 8.310 nan 0.000 0.507 425 L N 1.084 122.301 121.223 -0.009 0.000 2.341 425 L HA 0.894 5.238 4.340 0.008 0.000 0.267 425 L C -1.572 175.359 176.870 0.101 0.000 1.009 425 L CA 0.004 54.859 54.840 0.025 0.000 0.819 425 L CB 1.869 43.950 42.059 0.036 0.000 1.323 425 L HN 1.041 nan 8.230 nan 0.000 0.425 426 D N 1.486 121.981 120.400 0.158 0.000 2.947 426 D HA 0.290 4.935 4.640 0.008 0.000 0.224 426 D C -1.822 174.609 176.300 0.219 0.000 1.230 426 D CA -0.284 53.814 54.000 0.164 0.000 0.871 426 D CB 1.209 42.048 40.800 0.065 0.000 1.671 426 D HN 0.283 nan 8.370 nan 0.000 0.507 427 F N 4.089 124.050 119.950 0.019 0.000 2.391 427 F HA 0.396 4.928 4.527 0.008 0.000 0.359 427 F C -0.085 175.632 175.800 -0.140 0.000 1.122 427 F CA -0.817 57.055 58.000 -0.214 0.000 1.120 427 F CB 0.706 39.449 39.000 -0.429 0.000 1.142 427 F HN 0.268 nan 8.300 nan 0.000 0.483 428 N N 5.694 123.962 118.700 -0.720 0.000 2.415 428 N HA 0.004 4.749 4.740 0.008 0.000 0.250 428 N C 0.823 175.884 175.510 -0.748 0.000 1.127 428 N CA 0.324 53.059 53.050 -0.525 0.000 0.945 428 N CB 0.467 38.744 38.487 -0.350 0.000 1.196 428 N HN 0.810 nan 8.380 nan 0.000 0.499 429 E N 1.377 121.342 120.200 -0.391 0.000 2.204 429 E HA -0.139 4.216 4.350 0.008 0.000 0.195 429 E C 0.888 177.396 176.600 -0.154 0.000 0.990 429 E CA 1.355 57.647 56.400 -0.181 0.000 0.821 429 E CB 0.331 30.042 29.700 0.018 0.000 0.750 429 E HN 0.627 nan 8.360 nan 0.000 0.477 430 T N 1.018 115.478 114.554 -0.157 0.000 2.732 430 T HA -0.084 4.270 4.350 0.008 0.000 0.261 430 T C 1.683 176.310 174.700 -0.122 0.000 1.040 430 T CA 0.954 62.991 62.100 -0.105 0.000 1.145 430 T CB -0.058 68.760 68.868 -0.083 0.000 0.866 430 T HN 0.072 nan 8.240 nan 0.000 0.427 431 K N 0.536 120.832 120.400 -0.174 0.000 2.366 431 K HA 0.204 4.529 4.320 0.008 0.000 0.198 431 K C 1.453 177.944 176.600 -0.183 0.000 1.044 431 K CA 0.479 56.675 56.287 -0.152 0.000 0.973 431 K CB 0.014 32.427 32.500 -0.145 0.000 0.767 431 K HN 0.434 nan 8.250 nan 0.000 0.475 432 G N 1.640 110.249 108.800 -0.319 0.000 2.176 432 G HA2 -0.241 3.723 3.960 0.008 0.000 0.252 432 G HA3 -0.241 3.723 3.960 0.008 0.000 0.252 432 G C 0.029 174.750 174.900 -0.299 0.000 1.024 432 G CA 0.420 45.356 45.100 -0.272 0.000 0.755 432 G HN 0.271 nan 8.290 nan 0.000 0.507 433 V N -4.404 115.167 119.914 -0.572 0.000 3.181 433 V HA 0.847 4.971 4.120 0.008 0.000 0.308 433 V C -0.122 175.759 176.094 -0.355 0.000 1.214 433 V CA -2.531 59.627 62.300 -0.237 0.000 1.053 433 V CB 1.345 33.148 31.823 -0.033 0.000 1.069 433 V HN 0.300 nan 8.190 nan 0.000 0.441 434 Y N 0.608 120.986 120.300 0.130 0.000 2.299 434 Y HA 0.657 5.212 4.550 0.008 0.000 0.326 434 Y C 0.709 176.682 175.900 0.121 0.000 1.164 434 Y CA 0.197 58.405 58.100 0.179 0.000 1.234 434 Y CB 1.108 39.729 38.460 0.267 0.000 1.219 434 Y HN 0.711 nan 8.280 nan 0.000 0.497 435 E N 1.939 122.274 120.200 0.225 0.000 2.343 435 E HA 0.297 4.651 4.350 0.008 0.000 0.270 435 E C -1.227 175.374 176.600 0.002 0.000 0.895 435 E CA -1.404 55.077 56.400 0.135 0.000 0.767 435 E CB 2.225 31.951 29.700 0.043 0.000 1.248 435 E HN 0.486 nan 8.360 nan 0.000 0.440 436 K N -0.123 120.176 120.400 -0.169 0.000 2.126 436 K HA 0.460 4.785 4.320 0.008 0.000 0.257 436 K C -0.672 175.840 176.600 -0.147 0.000 1.007 436 K CA -0.540 55.541 56.287 -0.344 0.000 0.928 436 K CB 0.909 33.032 32.500 -0.627 0.000 1.013 436 K HN 0.158 nan 8.250 nan 0.000 0.473 437 V N 1.793 121.630 119.914 -0.129 0.000 2.398 437 V HA 0.519 4.644 4.120 0.008 0.000 0.282 437 V C 0.274 176.327 176.094 -0.068 0.000 1.014 437 V CA 0.256 62.517 62.300 -0.065 0.000 0.838 437 V CB 0.119 31.921 31.823 -0.034 0.000 1.018 437 V HN 1.213 nan 8.190 nan 0.000 0.432 438 G N 4.353 113.120 108.800 -0.056 0.000 2.378 438 G HA2 -0.063 3.901 3.960 0.008 0.000 0.198 438 G HA3 -0.063 3.901 3.960 0.008 0.000 0.198 438 G C -0.791 174.077 174.900 -0.053 0.000 1.223 438 G CA -0.802 44.272 45.100 -0.044 0.000 1.088 438 G HN 0.496 nan 8.290 nan 0.000 0.530 439 E N 0.575 120.747 120.200 -0.046 0.000 2.373 439 E HA 0.479 4.833 4.350 0.008 0.000 0.267 439 E C 1.482 178.054 176.600 -0.046 0.000 1.032 439 E CA 0.282 56.660 56.400 -0.037 0.000 0.889 439 E CB 1.322 30.999 29.700 -0.039 0.000 0.984 439 E HN 1.032 nan 8.360 nan 0.000 0.425 440 A N 2.811 125.631 122.820 -0.001 0.000 1.933 440 A HA -0.187 4.137 4.320 0.008 0.000 0.218 440 A C 2.078 179.709 177.584 0.077 0.000 1.175 440 A CA 2.220 54.297 52.037 0.068 0.000 0.628 440 A CB -0.804 18.292 19.000 0.160 0.000 0.814 440 A HN 0.701 nan 8.150 nan 0.000 0.444 441 T N -2.366 112.211 114.554 0.037 0.000 2.995 441 T HA -0.039 4.316 4.350 0.008 0.000 0.269 441 T C 1.454 176.161 174.700 0.011 0.000 1.091 441 T CA 1.389 63.508 62.100 0.030 0.000 1.128 441 T CB -0.179 68.692 68.868 0.004 0.000 0.891 441 T HN 0.630 nan 8.240 nan 0.000 0.492 442 E N 0.749 120.941 120.200 -0.014 0.000 2.166 442 E HA 0.000 4.355 4.350 0.008 0.000 0.192 442 E C 2.240 178.818 176.600 -0.037 0.000 0.967 442 E CA 0.971 57.357 56.400 -0.024 0.000 0.840 442 E CB -0.098 29.582 29.700 -0.033 0.000 0.795 442 E HN 0.468 nan 8.360 nan 0.000 0.470 443 T N 1.318 115.825 114.554 -0.077 0.000 2.867 443 T HA -0.098 4.256 4.350 0.008 0.000 0.268 443 T C 1.990 176.675 174.700 -0.025 0.000 1.057 443 T CA 1.020 63.034 62.100 -0.144 0.000 1.136 443 T CB -0.104 68.505 68.868 -0.432 0.000 0.874 443 T HN 0.185 nan 8.240 nan 0.000 0.466 444 A N 1.150 124.020 122.820 0.084 0.000 1.972 444 A HA -0.002 4.323 4.320 0.008 0.000 0.219 444 A C 2.112 179.726 177.584 0.050 0.000 1.169 444 A CA 1.097 53.217 52.037 0.139 0.000 0.635 444 A CB -0.612 18.465 19.000 0.129 0.000 0.810 444 A HN 0.343 nan 8.150 nan 0.000 0.446 445 L N -0.483 120.749 121.223 0.015 0.000 2.109 445 L HA -0.072 4.273 4.340 0.008 0.000 0.207 445 L C 2.678 179.533 176.870 -0.025 0.000 1.086 445 L CA 2.286 57.118 54.840 -0.013 0.000 0.760 445 L CB -1.229 40.817 42.059 -0.021 0.000 0.910 445 L HN 0.357 nan 8.230 nan 0.000 0.437 446 T N -1.425 113.114 114.554 -0.026 0.000 2.708 446 T HA -0.193 4.162 4.350 0.008 0.000 0.266 446 T C 1.847 176.528 174.700 -0.031 0.000 1.037 446 T CA 1.936 64.016 62.100 -0.034 0.000 1.146 446 T CB -0.419 68.422 68.868 -0.045 0.000 0.865 446 T HN 0.567 nan 8.240 nan 0.000 0.435 447 T N 1.104 115.652 114.554 -0.010 0.000 2.904 447 T HA -0.001 4.354 4.350 0.008 0.000 0.267 447 T C 2.004 176.685 174.700 -0.032 0.000 1.059 447 T CA 0.833 62.922 62.100 -0.018 0.000 1.137 447 T CB -0.551 68.340 68.868 0.038 0.000 0.879 447 T HN 0.200 nan 8.240 nan 0.000 0.467 448 L N 2.319 123.528 121.223 -0.024 0.000 2.042 448 L HA 0.017 4.362 4.340 0.008 0.000 0.210 448 L C 2.704 179.536 176.870 -0.064 0.000 1.076 448 L CA 2.135 56.949 54.840 -0.043 0.000 0.749 448 L CB -0.808 41.226 42.059 -0.041 0.000 0.893 448 L HN 0.351 nan 8.230 nan 0.000 0.432 449 V N -3.070 116.806 119.914 -0.063 0.000 2.548 449 V HA -0.102 4.022 4.120 0.008 0.000 0.249 449 V C 2.335 178.392 176.094 -0.062 0.000 1.055 449 V CA 1.492 63.749 62.300 -0.073 0.000 1.065 449 V CB -0.824 30.959 31.823 -0.066 0.000 0.681 449 V HN 0.441 nan 8.190 nan 0.000 0.462 450 E N 1.218 121.384 120.200 -0.056 0.000 2.153 450 E HA -0.159 4.196 4.350 0.008 0.000 0.194 450 E C 2.177 178.740 176.600 -0.062 0.000 0.988 450 E CA 1.621 57.987 56.400 -0.057 0.000 0.811 450 E CB -0.258 29.396 29.700 -0.077 0.000 0.746 450 E HN 0.723 nan 8.360 nan 0.000 0.466 451 K N -0.146 120.214 120.400 -0.066 0.000 2.076 451 K HA 0.069 4.393 4.320 0.008 0.000 0.204 451 K C 2.278 178.838 176.600 -0.067 0.000 1.051 451 K CA 0.855 57.105 56.287 -0.062 0.000 0.949 451 K CB -0.073 32.392 32.500 -0.057 0.000 0.726 451 K HN 0.062 nan 8.250 nan 0.000 0.443 452 M N 0.680 120.229 119.600 -0.086 0.000 2.175 452 M HA -0.104 4.380 4.480 0.008 0.000 0.264 452 M C 0.470 176.706 176.300 -0.106 0.000 1.063 452 M CA 0.581 55.813 55.300 -0.113 0.000 1.119 452 M CB -0.365 32.145 32.600 -0.151 0.000 1.377 452 M HN 0.123 nan 8.290 nan 0.000 0.415 453 N N 1.022 119.670 118.700 -0.087 0.000 2.686 453 N HA -0.134 4.610 4.740 0.008 0.000 0.261 453 N C 0.517 175.957 175.510 -0.116 0.000 1.001 453 N CA 0.622 53.635 53.050 -0.062 0.000 0.764 453 N CB -0.650 37.816 38.487 -0.035 0.000 0.898 453 N HN 0.378 nan 8.380 nan 0.000 0.544 454 V N -2.758 117.017 119.914 -0.232 0.000 2.546 454 V HA -0.167 3.958 4.120 0.008 0.000 0.254 454 V C 1.650 177.428 176.094 -0.526 0.000 1.076 454 V CA 1.749 63.796 62.300 -0.422 0.000 1.087 454 V CB -0.808 30.639 31.823 -0.627 0.000 0.674 454 V HN 0.264 nan 8.190 nan 0.000 0.470 455 F N 1.297 121.223 119.950 -0.040 0.000 2.660 455 F HA 0.451 4.983 4.527 0.008 0.000 0.302 455 F C 1.125 176.909 175.800 -0.028 0.000 1.103 455 F CA -0.722 57.258 58.000 -0.033 0.000 1.340 455 F CB -0.814 38.166 39.000 -0.033 0.000 1.048 455 F HN 0.228 nan 8.300 nan 0.000 0.551 456 N N 0.556 119.293 118.700 0.062 0.000 2.727 456 N HA -0.172 4.573 4.740 0.008 0.000 0.249 456 N C -0.234 175.309 175.510 0.055 0.000 1.048 456 N CA 0.952 54.026 53.050 0.039 0.000 0.714 456 N CB -1.812 36.692 38.487 0.027 0.000 0.959 456 N HN 0.148 nan 8.380 nan 0.000 0.544 457 T N 1.464 116.059 114.554 0.069 0.000 2.919 457 T HA 0.083 4.437 4.350 0.008 0.000 0.302 457 T C 0.858 175.574 174.700 0.026 0.000 1.031 457 T CA -0.441 61.691 62.100 0.052 0.000 1.127 457 T CB 1.035 69.938 68.868 0.059 0.000 0.952 457 T HN 0.131 nan 8.240 nan 0.000 0.540 458 E N 2.888 123.099 120.200 0.018 0.000 2.299 458 E HA 0.155 4.510 4.350 0.008 0.000 0.272 458 E C 0.574 177.178 176.600 0.006 0.000 1.043 458 E CA -0.442 55.963 56.400 0.009 0.000 0.895 458 E CB 0.775 30.479 29.700 0.006 0.000 1.011 458 E HN 0.482 nan 8.360 nan 0.000 0.432 459 V N 0.883 120.798 119.914 0.002 0.000 3.411 459 V HA 0.083 4.207 4.120 0.008 0.000 0.287 459 V C 1.592 177.683 176.094 -0.005 0.000 1.543 459 V CA -0.268 62.031 62.300 -0.001 0.000 1.028 459 V CB 0.068 31.889 31.823 -0.003 0.000 0.840 459 V HN 0.532 nan 8.190 nan 0.000 0.435 460 R N 3.309 123.806 120.500 -0.005 0.000 2.241 460 R HA -0.039 4.305 4.340 0.008 0.000 0.224 460 R C 1.002 177.297 176.300 -0.008 0.000 1.101 460 R CA 1.792 57.889 56.100 -0.006 0.000 0.995 460 R CB -1.312 28.986 30.300 -0.004 0.000 0.870 460 R HN 0.788 nan 8.270 nan 0.000 0.463 461 N N 0.652 119.347 118.700 -0.008 0.000 2.234 461 N HA 0.098 4.842 4.740 0.008 0.000 0.227 461 N C -0.143 175.359 175.510 -0.013 0.000 1.151 461 N CA -0.237 52.807 53.050 -0.010 0.000 0.865 461 N CB 0.218 38.701 38.487 -0.007 0.000 1.066 461 N HN 0.131 nan 8.380 nan 0.000 0.515 462 L N 1.111 122.325 121.223 -0.015 0.000 2.399 462 L HA 0.371 4.716 4.340 0.008 0.000 0.265 462 L C 0.961 177.809 176.870 -0.036 0.000 1.089 462 L CA -0.938 53.891 54.840 -0.018 0.000 0.802 462 L CB 1.349 43.403 42.059 -0.009 0.000 1.180 462 L HN 0.103 nan 8.230 nan 0.000 0.454 463 S N 0.645 116.318 115.700 -0.044 0.000 2.614 463 S HA 0.189 4.664 4.470 0.008 0.000 0.265 463 S C 0.899 175.418 174.600 -0.135 0.000 1.303 463 S CA -0.719 57.429 58.200 -0.086 0.000 1.000 463 S CB 1.129 64.289 63.200 -0.066 0.000 0.935 463 S HN 0.500 nan 8.310 nan 0.000 0.551 464 K N 0.829 121.043 120.400 -0.311 0.000 2.103 464 K HA -0.095 4.230 4.320 0.008 0.000 0.207 464 K C 2.228 178.634 176.600 -0.323 0.000 1.048 464 K CA 1.545 57.501 56.287 -0.552 0.000 0.930 464 K CB -1.458 30.027 32.500 -1.693 0.000 0.716 464 K HN 0.738 nan 8.250 nan 0.000 0.444 465 V N -0.531 119.268 119.914 -0.191 0.000 2.358 465 V HA -0.177 3.948 4.120 0.008 0.000 0.246 465 V C 2.219 178.357 176.094 0.074 0.000 1.047 465 V CA 2.109 64.441 62.300 0.053 0.000 1.035 465 V CB -0.552 31.326 31.823 0.092 0.000 0.658 465 V HN 0.299 nan 8.190 nan 0.000 0.452 466 E N 0.774 120.991 120.200 0.029 0.000 2.158 466 E HA -0.211 4.144 4.350 0.008 0.000 0.191 466 E C 2.316 178.943 176.600 0.046 0.000 0.982 466 E CA 0.893 57.314 56.400 0.035 0.000 0.823 466 E CB -0.110 29.598 29.700 0.014 0.000 0.766 466 E HN 0.613 nan 8.360 nan 0.000 0.468 467 R N 0.814 121.343 120.500 0.049 0.000 2.115 467 R HA -0.039 4.305 4.340 0.008 0.000 0.230 467 R C 1.992 178.337 176.300 0.075 0.000 1.111 467 R CA 1.520 57.651 56.100 0.051 0.000 0.976 467 R CB -0.682 29.647 30.300 0.048 0.000 0.870 467 R HN 0.192 nan 8.270 nan 0.000 0.445 468 A N 0.769 123.700 122.820 0.185 0.000 1.929 468 A HA -0.227 4.098 4.320 0.008 0.000 0.221 468 A C 1.279 178.902 177.584 0.066 0.000 1.211 468 A CA 2.153 54.312 52.037 0.204 0.000 0.657 468 A CB -0.460 18.735 19.000 0.324 0.000 0.827 468 A HN 0.612 nan 8.150 nan 0.000 0.462 469 N N -1.750 116.984 118.700 0.057 0.000 2.299 469 N HA 0.366 5.110 4.740 0.008 0.000 0.246 469 N C 1.144 176.665 175.510 0.019 0.000 1.254 469 N CA 0.647 53.714 53.050 0.027 0.000 0.879 469 N CB 0.619 39.124 38.487 0.030 0.000 1.214 469 N HN 0.432 nan 8.380 nan 0.000 0.510 470 A N 0.563 123.394 122.820 0.018 0.000 1.859 470 A HA -0.190 4.135 4.320 0.008 0.000 0.217 470 A C 2.303 179.897 177.584 0.017 0.000 1.198 470 A CA 1.490 53.536 52.037 0.015 0.000 0.629 470 A CB -0.826 18.181 19.000 0.012 0.000 0.830 470 A HN 0.450 nan 8.150 nan 0.000 0.446 471 C N -0.340 118.969 119.300 0.015 0.000 2.446 471 C HA -0.020 4.444 4.460 0.008 0.000 0.279 471 C C 2.578 177.591 174.990 0.039 0.000 1.366 471 C CA 0.713 59.752 59.018 0.035 0.000 1.763 471 C CB -1.570 26.181 27.740 0.018 0.000 1.929 471 C HN 0.615 nan 8.230 nan 0.000 0.509 472 N N 1.178 119.887 118.700 0.014 0.000 2.188 472 N HA -0.090 4.655 4.740 0.008 0.000 0.184 472 N C 1.833 177.351 175.510 0.012 0.000 1.018 472 N CA 1.219 54.274 53.050 0.008 0.000 0.858 472 N CB -0.189 38.295 38.487 -0.005 0.000 0.989 472 N HN 0.450 nan 8.380 nan 0.000 0.426 473 S N 0.685 116.392 115.700 0.011 0.000 2.383 473 S HA -0.044 4.430 4.470 0.008 0.000 0.227 473 S C 2.271 176.868 174.600 -0.006 0.000 1.026 473 S CA 0.496 58.699 58.200 0.004 0.000 0.981 473 S CB -0.167 63.036 63.200 0.005 0.000 0.818 473 S HN 0.080 nan 8.310 nan 0.000 0.472 474 V N 2.057 121.973 119.914 0.002 0.000 2.332 474 V HA -0.178 3.947 4.120 0.008 0.000 0.248 474 V C 2.007 178.063 176.094 -0.063 0.000 1.055 474 V CA 1.543 63.825 62.300 -0.031 0.000 1.038 474 V CB -0.587 31.246 31.823 0.016 0.000 0.651 474 V HN 0.466 nan 8.190 nan 0.000 0.450 475 I N -0.585 119.995 120.570 0.016 0.000 2.315 475 I HA -0.200 3.975 4.170 0.008 0.000 0.248 475 I C 2.567 178.674 176.117 -0.016 0.000 1.117 475 I CA 1.326 62.639 61.300 0.023 0.000 1.404 475 I CB -0.367 37.675 38.000 0.070 0.000 1.071 475 I HN 0.202 nan 8.210 nan 0.000 0.419 476 R N 0.337 120.830 120.500 -0.011 0.000 2.285 476 R HA -0.121 4.224 4.340 0.008 0.000 0.213 476 R C 1.960 178.248 176.300 -0.020 0.000 1.068 476 R CA 0.605 56.701 56.100 -0.007 0.000 1.004 476 R CB -0.083 30.217 30.300 -0.000 0.000 0.873 476 R HN 0.419 nan 8.270 nan 0.000 0.467 477 Q N 0.135 119.907 119.800 -0.047 0.000 2.331 477 Q HA 0.030 4.375 4.340 0.008 0.000 0.203 477 Q C 1.995 177.950 176.000 -0.075 0.000 0.944 477 Q CA 0.909 56.675 55.803 -0.062 0.000 0.892 477 Q CB 0.289 28.977 28.738 -0.085 0.000 0.983 477 Q HN 0.394 nan 8.270 nan 0.000 0.482 478 L N -1.086 120.082 121.223 -0.093 0.000 2.202 478 L HA 0.121 4.465 4.340 0.008 0.000 0.205 478 L C 0.753 177.610 176.870 -0.022 0.000 1.083 478 L CA 0.486 55.274 54.840 -0.087 0.000 0.790 478 L CB 0.072 42.048 42.059 -0.139 0.000 0.942 478 L HN 0.101 nan 8.230 nan 0.000 0.452 479 M N 0.362 119.967 119.600 0.009 0.000 2.465 479 M HA 0.335 4.820 4.480 0.008 0.000 0.316 479 M C -0.784 175.541 176.300 0.042 0.000 1.121 479 M CA -0.280 55.051 55.300 0.052 0.000 0.934 479 M CB 2.190 34.876 32.600 0.143 0.000 1.692 479 M HN -0.108 nan 8.290 nan 0.000 0.444 480 K N 2.524 122.947 120.400 0.037 0.000 2.274 480 K HA 0.339 4.663 4.320 0.008 0.000 0.262 480 K C -0.712 175.912 176.600 0.039 0.000 0.961 480 K CA -0.473 55.834 56.287 0.034 0.000 0.833 480 K CB 1.691 34.209 32.500 0.030 0.000 1.102 480 K HN 0.660 nan 8.250 nan 0.000 0.436 481 K N 4.314 124.738 120.400 0.040 0.000 2.312 481 K HA 0.029 4.353 4.320 0.008 0.000 0.287 481 K C 0.346 176.970 176.600 0.039 0.000 1.062 481 K CA -0.181 56.122 56.287 0.027 0.000 0.934 481 K CB 0.846 33.365 32.500 0.032 0.000 1.027 481 K HN 0.610 nan 8.250 nan 0.000 0.478 482 E N 3.665 123.885 120.200 0.033 0.000 2.045 482 E HA 0.017 4.371 4.350 0.008 0.000 0.190 482 E C 0.280 176.998 176.600 0.196 0.000 0.968 482 E CA 0.951 57.424 56.400 0.122 0.000 0.813 482 E CB -0.029 29.793 29.700 0.202 0.000 0.780 482 E HN 0.575 nan 8.360 nan 0.000 0.455 483 F N -1.432 118.540 119.950 0.037 0.000 2.741 483 F HA 0.573 5.104 4.527 0.008 0.000 0.313 483 F C -0.610 175.199 175.800 0.014 0.000 1.153 483 F CA -1.271 56.729 58.000 0.000 0.000 0.931 483 F CB 1.523 40.486 39.000 -0.062 0.000 1.335 483 F HN -0.236 nan 8.300 nan 0.000 0.460 484 T N 0.931 115.597 114.554 0.185 0.000 2.893 484 T HA 0.656 5.010 4.350 0.008 0.000 0.291 484 T C -1.339 173.406 174.700 0.075 0.000 1.028 484 T CA -0.763 61.374 62.100 0.063 0.000 0.995 484 T CB 1.358 70.261 68.868 0.058 0.000 1.051 484 T HN 0.829 nan 8.240 nan 0.000 0.470 485 L N 5.073 126.259 121.223 -0.062 0.000 2.288 485 L HA 0.353 4.698 4.340 0.008 0.000 0.283 485 L C 1.129 178.014 176.870 0.026 0.000 1.072 485 L CA -0.933 53.709 54.840 -0.330 0.000 0.862 485 L CB 0.490 42.229 42.059 -0.533 0.000 1.245 485 L HN 0.766 nan 8.230 nan 0.000 0.432 486 E N 3.299 123.623 120.200 0.207 0.000 2.437 486 E HA -0.120 4.234 4.350 0.008 0.000 0.263 486 E C -0.424 176.402 176.600 0.377 0.000 1.030 486 E CA -0.385 56.191 56.400 0.294 0.000 0.934 486 E CB 0.887 30.762 29.700 0.292 0.000 0.943 486 E HN 0.318 nan 8.360 nan 0.000 0.444 487 F N 2.574 122.628 119.950 0.172 0.000 2.607 487 F HA 0.077 4.608 4.527 0.008 0.000 0.374 487 F C -0.010 175.878 175.800 0.147 0.000 1.104 487 F CA 0.352 58.443 58.000 0.152 0.000 1.296 487 F CB 0.536 39.599 39.000 0.106 0.000 1.085 487 F HN 0.486 nan 8.300 nan 0.000 0.584 488 S N 5.727 121.098 115.700 -0.548 0.000 2.542 488 S HA 0.504 4.979 4.470 0.008 0.000 0.293 488 S C 0.500 174.669 174.600 -0.718 0.000 1.089 488 S CA -1.076 56.883 58.200 -0.401 0.000 0.961 488 S CB 2.146 65.227 63.200 -0.198 0.000 1.062 488 S HN 0.815 nan 8.310 nan 0.000 0.483 489 R N 0.967 121.280 120.500 -0.312 0.000 2.120 489 R HA -0.095 4.250 4.340 0.008 0.000 0.234 489 R C 1.290 177.495 176.300 -0.159 0.000 1.123 489 R CA 2.019 58.018 56.100 -0.169 0.000 0.975 489 R CB -0.568 29.748 30.300 0.027 0.000 0.866 489 R HN 0.924 nan 8.270 nan 0.000 0.446 490 D N -0.289 120.017 120.400 -0.156 0.000 2.269 490 D HA -0.164 4.481 4.640 0.008 0.000 0.208 490 D C 1.933 178.162 176.300 -0.118 0.000 0.963 490 D CA 0.678 54.611 54.000 -0.112 0.000 0.864 490 D CB 0.006 40.744 40.800 -0.102 0.000 0.936 490 D HN 0.098 nan 8.370 nan 0.000 0.505 491 R N 0.643 121.035 120.500 -0.181 0.000 2.195 491 R HA 0.108 4.452 4.340 0.008 0.000 0.197 491 R C 0.112 176.327 176.300 -0.142 0.000 0.990 491 R CA 0.088 56.106 56.100 -0.136 0.000 1.048 491 R CB 0.184 30.417 30.300 -0.112 0.000 0.997 491 R HN -0.144 nan 8.270 nan 0.000 0.502 492 K N 1.096 121.306 120.400 -0.317 0.000 3.071 492 K HA -0.170 4.154 4.320 0.008 0.000 0.265 492 K C -0.981 175.667 176.600 0.080 0.000 1.060 492 K CA 0.874 57.076 56.287 -0.142 0.000 0.767 492 K CB -1.625 30.919 32.500 0.073 0.000 1.241 492 K HN 0.505 nan 8.250 nan 0.000 0.486 493 S N -0.963 114.720 115.700 -0.029 0.000 2.656 493 S HA 0.808 5.283 4.470 0.008 0.000 0.273 493 S C -0.782 173.949 174.600 0.217 0.000 1.168 493 S CA -1.082 57.222 58.200 0.173 0.000 0.817 493 S CB 2.983 66.249 63.200 0.111 0.000 1.146 493 S HN 0.305 nan 8.310 nan 0.000 0.475 494 M N 1.536 121.275 119.600 0.232 0.000 2.569 494 M HA 0.700 5.184 4.480 0.008 0.000 0.279 494 M C -1.842 174.539 176.300 0.135 0.000 1.253 494 M CA -0.244 55.184 55.300 0.214 0.000 0.867 494 M CB 2.002 34.760 32.600 0.263 0.000 1.727 494 M HN 1.347 nan 8.290 nan 0.000 0.467 495 S N 1.554 117.308 115.700 0.090 0.000 2.588 495 S HA 0.827 5.302 4.470 0.008 0.000 0.269 495 S C -1.255 173.342 174.600 -0.004 0.000 1.157 495 S CA -0.519 57.711 58.200 0.049 0.000 0.824 495 S CB 1.587 64.806 63.200 0.032 0.000 1.126 495 S HN 1.293 nan 8.310 nan 0.000 0.464 496 V N -0.750 119.145 119.914 -0.032 0.000 2.709 496 V HA 0.738 4.863 4.120 0.008 0.000 0.308 496 V C -1.371 174.571 176.094 -0.254 0.000 1.062 496 V CA -0.926 61.308 62.300 -0.109 0.000 0.901 496 V CB 1.267 33.087 31.823 -0.005 0.000 1.003 496 V HN 1.028 nan 8.190 nan 0.000 0.425 497 Y N 3.613 123.536 120.300 -0.628 0.000 2.383 497 Y HA 0.721 5.275 4.550 0.008 0.000 0.344 497 Y C 0.005 175.605 175.900 -0.500 0.000 0.986 497 Y CA -0.483 57.177 58.100 -0.733 0.000 1.175 497 Y CB 0.779 38.366 38.460 -1.454 0.000 1.152 497 Y HN 1.000 nan 8.280 nan 0.000 0.511 498 C N 3.585 122.576 119.300 -0.514 0.000 2.779 498 C HA 0.819 5.284 4.460 0.008 0.000 0.314 498 C C -0.510 174.332 174.990 -0.247 0.000 1.231 498 C CA -0.880 57.993 59.018 -0.241 0.000 1.652 498 C CB 1.256 28.930 27.740 -0.111 0.000 2.198 498 C HN 0.882 nan 8.230 nan 0.000 0.483 499 S N 1.353 117.014 115.700 -0.065 0.000 2.542 499 S HA 0.748 5.222 4.470 0.008 0.000 0.293 499 S C -3.132 171.460 174.600 -0.013 0.000 1.089 499 S CA -1.114 57.063 58.200 -0.039 0.000 0.961 499 S CB 1.660 64.883 63.200 0.039 0.000 1.062 499 S HN 0.623 nan 8.310 nan 0.000 0.483 500 P HA 0.211 nan 4.420 nan 0.000 0.268 500 P C -0.075 177.224 177.300 -0.001 0.000 1.208 500 P CA -0.042 63.056 63.100 -0.003 0.000 0.777 500 P CB 0.210 31.905 31.700 -0.009 0.000 0.875 501 A N 3.308 126.124 122.820 -0.007 0.000 2.483 501 A HA 0.033 4.358 4.320 0.008 0.000 0.238 501 A C 1.383 178.961 177.584 -0.010 0.000 1.070 501 A CA -0.069 51.962 52.037 -0.010 0.000 0.770 501 A CB -0.106 18.879 19.000 -0.025 0.000 1.008 501 A HN 0.414 nan 8.150 nan 0.000 0.497 502 K N 0.928 121.324 120.400 -0.007 0.000 2.585 502 K HA -0.079 4.246 4.320 0.008 0.000 0.194 502 K C 1.126 177.719 176.600 -0.011 0.000 1.037 502 K CA 1.453 57.737 56.287 -0.006 0.000 0.964 502 K CB -0.271 32.228 32.500 -0.003 0.000 0.787 502 K HN 0.809 nan 8.250 nan 0.000 0.488 503 S N -1.668 114.022 115.700 -0.017 0.000 2.728 503 S HA 0.031 4.505 4.470 0.008 0.000 0.257 503 S C 0.598 175.181 174.600 -0.028 0.000 1.060 503 S CA -0.558 57.629 58.200 -0.022 0.000 1.126 503 S CB 0.098 63.283 63.200 -0.025 0.000 1.099 503 S HN 0.168 nan 8.310 nan 0.000 0.617 504 S N 1.493 117.175 115.700 -0.031 0.000 2.579 504 S HA 0.462 4.937 4.470 0.008 0.000 0.275 504 S C 0.520 175.105 174.600 -0.026 0.000 1.345 504 S CA -0.486 57.691 58.200 -0.038 0.000 1.031 504 S CB 1.022 64.198 63.200 -0.040 0.000 0.892 504 S HN 0.155 nan 8.310 nan 0.000 0.529 505 R N 1.042 121.526 120.500 -0.027 0.000 2.334 505 R HA 0.421 4.766 4.340 0.008 0.000 0.220 505 R C 0.862 177.156 176.300 -0.010 0.000 0.917 505 R CA 0.295 56.385 56.100 -0.017 0.000 1.073 505 R CB -0.912 29.378 30.300 -0.016 0.000 1.056 505 R HN 0.837 nan 8.270 nan 0.000 0.506 506 A N 0.415 123.229 122.820 -0.010 0.000 2.448 506 A HA 0.515 4.839 4.320 0.008 0.000 0.239 506 A C 0.124 177.706 177.584 -0.003 0.000 1.080 506 A CA 0.030 52.066 52.037 -0.000 0.000 0.779 506 A CB 0.026 19.030 19.000 0.006 0.000 1.026 506 A HN 0.378 nan 8.150 nan 0.000 0.499 507 A N 1.349 124.167 122.820 -0.002 0.000 2.546 507 A HA 0.442 4.766 4.320 0.008 0.000 0.243 507 A C 0.511 178.087 177.584 -0.015 0.000 1.063 507 A CA -0.221 51.811 52.037 -0.008 0.000 0.757 507 A CB -0.529 18.465 19.000 -0.010 0.000 0.991 507 A HN 1.156 nan 8.150 nan 0.000 0.503 508 V N 1.863 121.768 119.914 -0.015 0.000 2.901 508 V HA 0.455 4.580 4.120 0.008 0.000 0.307 508 V C 1.071 177.147 176.094 -0.029 0.000 1.084 508 V CA 1.172 63.461 62.300 -0.018 0.000 1.184 508 V CB 0.261 32.076 31.823 -0.012 0.000 0.941 508 V HN 1.965 nan 8.190 nan 0.000 0.493 509 G N 3.309 112.087 108.800 -0.037 0.000 3.088 509 G HA2 -0.074 3.891 3.960 0.008 0.000 0.620 509 G HA3 -0.074 3.891 3.960 0.008 0.000 0.620 509 G C -0.901 173.934 174.900 -0.109 0.000 1.375 509 G CA -0.991 44.073 45.100 -0.059 0.000 1.016 509 G HN 0.657 nan 8.290 nan 0.000 0.590 510 N N 1.192 119.808 118.700 -0.140 0.000 2.453 510 N HA 0.484 5.228 4.740 0.008 0.000 0.253 510 N C 0.201 175.442 175.510 -0.447 0.000 1.252 510 N CA 0.184 53.055 53.050 -0.299 0.000 0.917 510 N CB 0.731 39.023 38.487 -0.326 0.000 1.117 510 N HN 0.501 nan 8.380 nan 0.000 0.442 511 K N 1.116 121.123 120.400 -0.656 0.000 2.477 511 K HA 0.449 4.773 4.320 0.008 0.000 0.255 511 K C -0.562 175.418 176.600 -1.033 0.000 0.952 511 K CA -0.426 55.403 56.287 -0.764 0.000 0.826 511 K CB 2.132 34.163 32.500 -0.781 0.000 1.331 511 K HN 0.479 nan 8.250 nan 0.000 0.437 512 M N 2.287 121.392 119.600 -0.824 0.000 2.181 512 M HA 0.409 4.894 4.480 0.008 0.000 0.323 512 M C -1.172 174.818 176.300 -0.518 0.000 1.004 512 M CA -0.732 54.192 55.300 -0.626 0.000 0.941 512 M CB 0.844 33.255 32.600 -0.315 0.000 1.579 512 M HN 0.308 nan 8.290 nan 0.000 0.427 513 F N 2.975 122.853 119.950 -0.120 0.000 2.415 513 F HA 0.571 5.103 4.527 0.008 0.000 0.348 513 F C -0.066 175.706 175.800 -0.047 0.000 1.119 513 F CA -0.962 56.990 58.000 -0.079 0.000 1.069 513 F CB 1.010 39.962 39.000 -0.081 0.000 1.124 513 F HN 0.131 nan 8.300 nan 0.000 0.472 514 V N 3.382 123.390 119.914 0.156 0.000 2.581 514 V HA 0.579 4.703 4.120 0.008 0.000 0.303 514 V C -0.426 175.721 176.094 0.089 0.000 1.041 514 V CA -1.161 61.203 62.300 0.106 0.000 0.907 514 V CB 1.991 33.870 31.823 0.092 0.000 0.994 514 V HN 0.704 nan 8.190 nan 0.000 0.442 515 K N 1.999 122.456 120.400 0.096 0.000 2.501 515 K HA 0.785 5.110 4.320 0.008 0.000 0.252 515 K C -0.462 176.215 176.600 0.127 0.000 0.934 515 K CA -0.054 56.284 56.287 0.085 0.000 0.797 515 K CB 2.280 34.821 32.500 0.068 0.000 1.270 515 K HN 1.056 nan 8.250 nan 0.000 0.431 516 G N 1.107 109.981 108.800 0.123 0.000 2.321 516 G HA2 0.458 4.422 3.960 0.008 0.000 0.296 516 G HA3 0.458 4.422 3.960 0.008 0.000 0.296 516 G C -1.571 173.414 174.900 0.141 0.000 1.287 516 G CA -0.446 44.753 45.100 0.165 0.000 0.846 516 G HN 0.677 nan 8.290 nan 0.000 0.508 517 A N 0.606 123.521 122.820 0.159 0.000 2.520 517 A HA 0.559 4.883 4.320 0.008 0.000 0.245 517 A C -0.628 177.016 177.584 0.100 0.000 1.072 517 A CA 0.191 52.303 52.037 0.126 0.000 0.761 517 A CB -0.046 19.032 19.000 0.130 0.000 1.004 517 A HN 0.370 nan 8.150 nan 0.000 0.499 518 P HA -0.247 nan 4.420 nan 0.000 0.216 518 P C 1.296 178.626 177.300 0.050 0.000 1.167 518 P CA 1.933 65.078 63.100 0.075 0.000 0.914 518 P CB 0.119 31.854 31.700 0.058 0.000 0.793 519 E N -0.995 119.228 120.200 0.037 0.000 2.048 519 E HA -0.195 4.160 4.350 0.008 0.000 0.202 519 E C 2.306 178.920 176.600 0.023 0.000 1.021 519 E CA 1.606 58.018 56.400 0.019 0.000 0.825 519 E CB -1.074 28.638 29.700 0.020 0.000 0.756 519 E HN 0.270 nan 8.360 nan 0.000 0.454 520 G N 0.585 109.407 108.800 0.036 0.000 2.418 520 G HA2 -0.235 3.730 3.960 0.008 0.000 0.217 520 G HA3 -0.235 3.730 3.960 0.008 0.000 0.217 520 G C 1.725 176.653 174.900 0.045 0.000 1.158 520 G CA 0.945 46.065 45.100 0.033 0.000 0.771 520 G HN 0.136 nan 8.290 nan 0.000 0.545 521 V N 1.024 120.979 119.914 0.069 0.000 2.307 521 V HA -0.103 4.022 4.120 0.008 0.000 0.245 521 V C 2.768 178.919 176.094 0.095 0.000 1.045 521 V CA 1.469 63.825 62.300 0.094 0.000 1.024 521 V CB -0.381 31.518 31.823 0.128 0.000 0.651 521 V HN 0.373 nan 8.190 nan 0.000 0.449 522 I N 0.146 120.758 120.570 0.071 0.000 2.286 522 I HA -0.224 3.951 4.170 0.008 0.000 0.248 522 I C 2.240 178.352 176.117 -0.007 0.000 1.115 522 I CA 1.451 62.759 61.300 0.013 0.000 1.392 522 I CB -0.469 37.478 38.000 -0.088 0.000 1.065 522 I HN 0.295 nan 8.210 nan 0.000 0.418 523 D N 0.943 121.340 120.400 -0.004 0.000 2.182 523 D HA -0.145 4.499 4.640 0.008 0.000 0.201 523 D C 1.900 178.199 176.300 -0.002 0.000 0.986 523 D CA 1.127 55.120 54.000 -0.011 0.000 0.847 523 D CB -0.129 40.667 40.800 -0.006 0.000 0.942 523 D HN 0.332 nan 8.370 nan 0.000 0.467 524 R N -0.580 119.933 120.500 0.021 0.000 2.356 524 R HA 0.187 4.532 4.340 0.008 0.000 0.234 524 R C -0.119 176.205 176.300 0.040 0.000 0.929 524 R CA -0.146 55.972 56.100 0.029 0.000 1.084 524 R CB 0.090 30.417 30.300 0.045 0.000 1.105 524 R HN 0.069 nan 8.270 nan 0.000 0.515 525 C N 1.391 120.712 119.300 0.035 0.000 2.295 525 C HA 0.283 4.747 4.460 0.008 0.000 0.331 525 C C 1.142 176.107 174.990 -0.043 0.000 1.280 525 C CA -0.774 58.276 59.018 0.052 0.000 1.746 525 C CB 0.715 28.525 27.740 0.117 0.000 2.328 525 C HN 0.460 nan 8.230 nan 0.000 0.521 526 N N 0.787 119.408 118.700 -0.132 0.000 2.282 526 N HA 0.153 4.898 4.740 0.008 0.000 0.185 526 N C -0.693 174.427 175.510 -0.651 0.000 1.099 526 N CA 0.533 53.326 53.050 -0.428 0.000 0.878 526 N CB 0.320 38.438 38.487 -0.614 0.000 0.993 526 N HN 0.701 nan 8.380 nan 0.000 0.481 527 Y N -1.087 119.247 120.300 0.058 0.000 2.605 527 Y HA 0.610 5.164 4.550 0.008 0.000 0.343 527 Y C -0.166 175.798 175.900 0.106 0.000 1.036 527 Y CA -1.063 57.076 58.100 0.064 0.000 1.065 527 Y CB 1.589 40.081 38.460 0.054 0.000 1.288 527 Y HN -0.430 nan 8.280 nan 0.000 0.481 528 V N 1.522 121.602 119.914 0.277 0.000 2.709 528 V HA 0.523 4.647 4.120 0.008 0.000 0.308 528 V C -0.721 175.494 176.094 0.201 0.000 1.062 528 V CA -1.095 61.360 62.300 0.259 0.000 0.901 528 V CB 2.017 33.958 31.823 0.196 0.000 1.003 528 V HN 0.686 nan 8.190 nan 0.000 0.425 529 R N 2.882 123.486 120.500 0.173 0.000 2.349 529 R HA 0.735 5.080 4.340 0.008 0.000 0.299 529 R C -1.466 174.894 176.300 0.100 0.000 1.027 529 R CA -0.211 55.950 56.100 0.102 0.000 0.958 529 R CB 1.531 31.861 30.300 0.051 0.000 1.047 529 R HN 0.511 nan 8.270 nan 0.000 0.468 530 V N 5.827 125.790 119.914 0.081 0.000 2.398 530 V HA 0.448 4.573 4.120 0.008 0.000 0.282 530 V C 0.859 176.997 176.094 0.073 0.000 1.014 530 V CA 0.203 62.551 62.300 0.081 0.000 0.838 530 V CB 0.627 32.493 31.823 0.071 0.000 1.018 530 V HN 1.147 nan 8.190 nan 0.000 0.432 531 G N 5.258 114.108 108.800 0.085 0.000 2.601 531 G HA2 -0.356 3.608 3.960 0.008 0.000 0.306 531 G HA3 -0.356 3.608 3.960 0.008 0.000 0.306 531 G C 0.947 175.880 174.900 0.054 0.000 1.172 531 G CA 1.233 46.382 45.100 0.081 0.000 0.966 531 G HN 1.346 nan 8.290 nan 0.000 0.542 532 T N -1.140 113.439 114.554 0.042 0.000 3.010 532 T HA 0.478 4.833 4.350 0.008 0.000 0.257 532 T C 1.179 175.892 174.700 0.022 0.000 1.020 532 T CA 1.446 63.564 62.100 0.029 0.000 0.938 532 T CB 0.034 68.916 68.868 0.023 0.000 1.049 532 T HN 1.654 nan 8.240 nan 0.000 0.522 533 T N 0.239 114.811 114.554 0.029 0.000 2.847 533 T HA 0.575 4.929 4.350 0.008 0.000 0.279 533 T C -0.282 174.435 174.700 0.029 0.000 0.984 533 T CA -0.985 61.129 62.100 0.023 0.000 0.988 533 T CB 1.810 70.696 68.868 0.031 0.000 1.040 533 T HN 0.393 nan 8.240 nan 0.000 0.528 534 R N 0.317 120.830 120.500 0.021 0.000 2.621 534 R HA 0.634 4.978 4.340 0.008 0.000 0.284 534 R C -1.420 174.927 176.300 0.079 0.000 0.998 534 R CA -0.801 55.322 56.100 0.038 0.000 0.895 534 R CB 2.076 32.346 30.300 -0.050 0.000 1.195 534 R HN 0.813 nan 8.270 nan 0.000 0.450 535 V N 0.558 120.558 119.914 0.144 0.000 3.102 535 V HA 0.745 4.869 4.120 0.008 0.000 0.312 535 V C -2.762 173.469 176.094 0.228 0.000 1.135 535 V CA -2.422 59.971 62.300 0.156 0.000 1.022 535 V CB 2.196 34.077 31.823 0.095 0.000 1.056 535 V HN 0.713 nan 8.190 nan 0.000 0.436 536 P HA 0.237 nan 4.420 nan 0.000 0.276 536 P C -0.608 176.698 177.300 0.010 0.000 1.230 536 P CA -0.241 62.903 63.100 0.074 0.000 0.776 536 P CB 0.953 32.674 31.700 0.034 0.000 0.888 537 M N 4.348 123.916 119.600 -0.054 0.000 2.266 537 M HA 0.146 4.630 4.480 0.008 0.000 0.340 537 M C 0.129 176.388 176.300 -0.068 0.000 1.486 537 M CA 0.351 55.618 55.300 -0.054 0.000 1.209 537 M CB -0.665 31.892 32.600 -0.072 0.000 1.714 537 M HN 0.388 nan 8.290 nan 0.000 0.459 538 T N 1.469 115.993 114.554 -0.051 0.000 2.912 538 T HA 0.643 4.998 4.350 0.008 0.000 0.280 538 T C 1.184 175.851 174.700 -0.054 0.000 0.989 538 T CA -0.448 61.624 62.100 -0.047 0.000 0.995 538 T CB 1.232 70.084 68.868 -0.028 0.000 1.077 538 T HN 0.684 nan 8.240 nan 0.000 0.531 539 G N 0.809 109.582 108.800 -0.045 0.000 2.446 539 G HA2 -0.053 3.912 3.960 0.008 0.000 0.217 539 G HA3 -0.053 3.912 3.960 0.008 0.000 0.217 539 G C -0.947 173.925 174.900 -0.047 0.000 1.168 539 G CA 0.598 45.671 45.100 -0.046 0.000 0.771 539 G HN 0.633 nan 8.290 nan 0.000 0.551 540 P HA -0.017 nan 4.420 nan 0.000 0.215 540 P C 2.200 179.466 177.300 -0.056 0.000 1.157 540 P CA 0.687 63.769 63.100 -0.031 0.000 0.863 540 P CB -0.111 31.585 31.700 -0.006 0.000 0.787 541 V N 0.658 120.531 119.914 -0.069 0.000 2.332 541 V HA -0.286 3.839 4.120 0.008 0.000 0.248 541 V C 2.506 178.517 176.094 -0.139 0.000 1.055 541 V CA 1.970 64.205 62.300 -0.108 0.000 1.038 541 V CB -1.046 30.718 31.823 -0.099 0.000 0.651 541 V HN 0.179 nan 8.190 nan 0.000 0.450 542 K N 0.555 120.879 120.400 -0.127 0.000 2.097 542 K HA -0.265 4.059 4.320 0.008 0.000 0.206 542 K C 2.130 178.648 176.600 -0.137 0.000 1.049 542 K CA 1.957 58.152 56.287 -0.154 0.000 0.933 542 K CB -0.067 32.361 32.500 -0.120 0.000 0.717 542 K HN 0.692 nan 8.250 nan 0.000 0.442 543 E N 0.729 120.869 120.200 -0.099 0.000 2.152 543 E HA -0.164 4.190 4.350 0.008 0.000 0.192 543 E C 1.904 178.447 176.600 -0.094 0.000 0.983 543 E CA 1.033 57.384 56.400 -0.082 0.000 0.818 543 E CB -0.097 29.570 29.700 -0.055 0.000 0.758 543 E HN 0.027 nan 8.360 nan 0.000 0.467 544 K N 0.729 121.064 120.400 -0.108 0.000 2.025 544 K HA -0.052 4.272 4.320 0.008 0.000 0.207 544 K C 1.905 178.402 176.600 -0.172 0.000 1.049 544 K CA 1.205 57.417 56.287 -0.125 0.000 0.933 544 K CB -0.259 32.159 32.500 -0.136 0.000 0.714 544 K HN 0.229 nan 8.250 nan 0.000 0.438 545 I N 1.658 122.110 120.570 -0.197 0.000 2.142 545 I HA -0.269 3.906 4.170 0.008 0.000 0.240 545 I C 2.480 178.509 176.117 -0.146 0.000 1.078 545 I CA 1.118 62.298 61.300 -0.200 0.000 1.343 545 I CB -1.251 36.550 38.000 -0.332 0.000 1.046 545 I HN 0.111 nan 8.210 nan 0.000 0.405 546 L N 0.116 121.253 121.223 -0.143 0.000 2.131 546 L HA -0.200 4.144 4.340 0.008 0.000 0.210 546 L C 2.752 179.576 176.870 -0.077 0.000 1.092 546 L CA 1.342 56.125 54.840 -0.095 0.000 0.759 546 L CB -0.574 41.437 42.059 -0.081 0.000 0.903 546 L HN 0.264 nan 8.230 nan 0.000 0.435 547 S N -0.399 115.247 115.700 -0.090 0.000 2.368 547 S HA -0.123 4.351 4.470 0.008 0.000 0.224 547 S C 1.958 176.502 174.600 -0.093 0.000 1.029 547 S CA 1.194 59.350 58.200 -0.073 0.000 0.988 547 S CB -0.074 63.084 63.200 -0.069 0.000 0.838 547 S HN 0.174 nan 8.310 nan 0.000 0.462 548 V N 2.022 121.834 119.914 -0.170 0.000 2.307 548 V HA -0.101 4.024 4.120 0.008 0.000 0.245 548 V C 2.312 178.213 176.094 -0.322 0.000 1.045 548 V CA 1.827 63.965 62.300 -0.270 0.000 1.024 548 V CB -0.642 30.886 31.823 -0.491 0.000 0.651 548 V HN 0.502 nan 8.190 nan 0.000 0.449 549 I N -0.045 120.386 120.570 -0.232 0.000 2.208 549 I HA -0.297 3.878 4.170 0.008 0.000 0.245 549 I C 2.584 178.711 176.117 0.016 0.000 1.097 549 I CA 1.873 63.093 61.300 -0.133 0.000 1.363 549 I CB -0.407 37.574 38.000 -0.031 0.000 1.051 549 I HN 0.277 nan 8.210 nan 0.000 0.413 550 K N 1.147 121.551 120.400 0.007 0.000 2.097 550 K HA -0.209 4.116 4.320 0.008 0.000 0.206 550 K C 1.926 178.581 176.600 0.092 0.000 1.049 550 K CA 1.538 57.854 56.287 0.048 0.000 0.933 550 K CB 0.018 32.529 32.500 0.019 0.000 0.717 550 K HN 0.361 nan 8.250 nan 0.000 0.442 551 E N -0.574 119.682 120.200 0.093 0.000 2.110 551 E HA -0.197 4.158 4.350 0.008 0.000 0.193 551 E C 1.704 178.485 176.600 0.302 0.000 0.988 551 E CA 1.081 57.577 56.400 0.161 0.000 0.804 551 E CB -0.143 29.650 29.700 0.156 0.000 0.745 551 E HN 0.434 nan 8.360 nan 0.000 0.458 552 W N 0.551 121.885 121.300 0.057 0.000 2.421 552 W HA 0.003 4.668 4.660 0.008 0.000 0.270 552 W C 2.175 178.724 176.519 0.050 0.000 1.233 552 W CA 1.126 58.510 57.345 0.064 0.000 1.226 552 W CB -0.708 28.815 29.460 0.104 0.000 1.121 552 W HN 0.062 nan 8.180 nan 0.000 0.579 553 G N -1.503 107.457 108.800 0.267 0.000 3.141 553 G HA2 0.073 4.038 3.960 0.008 0.000 0.218 553 G HA3 0.073 4.038 3.960 0.008 0.000 0.218 553 G C 0.974 175.939 174.900 0.107 0.000 1.170 553 G CA 1.205 46.403 45.100 0.163 0.000 0.769 553 G HN 0.258 nan 8.290 nan 0.000 0.546 554 T N -4.616 110.001 114.554 0.104 0.000 3.092 554 T HA 0.327 4.682 4.350 0.008 0.000 0.273 554 T C 1.457 176.187 174.700 0.051 0.000 0.898 554 T CA 0.816 62.955 62.100 0.065 0.000 0.868 554 T CB 0.383 69.284 68.868 0.055 0.000 1.228 554 T HN 0.196 nan 8.240 nan 0.000 0.555 555 G N 1.549 110.388 108.800 0.065 0.000 2.529 555 G HA2 0.295 4.260 3.960 0.008 0.000 0.234 555 G HA3 0.295 4.260 3.960 0.008 0.000 0.234 555 G C 0.696 175.607 174.900 0.018 0.000 1.527 555 G CA -0.663 44.462 45.100 0.041 0.000 1.062 555 G HN 0.351 nan 8.290 nan 0.000 0.558 556 R N -0.252 120.250 120.500 0.004 0.000 2.323 556 R HA 0.068 4.412 4.340 0.008 0.000 0.198 556 R C 1.337 177.624 176.300 -0.022 0.000 0.988 556 R CA 0.465 56.560 56.100 -0.009 0.000 1.041 556 R CB 0.152 30.443 30.300 -0.015 0.000 0.926 556 R HN 0.404 nan 8.270 nan 0.000 0.476 557 D N -0.207 120.181 120.400 -0.020 0.000 2.214 557 D HA -0.033 4.611 4.640 0.008 0.000 0.217 557 D C 0.353 176.644 176.300 -0.014 0.000 0.973 557 D CA 0.971 54.943 54.000 -0.048 0.000 0.880 557 D CB -0.128 40.623 40.800 -0.082 0.000 1.031 557 D HN -0.084 nan 8.370 nan 0.000 0.468 558 T N 1.233 115.802 114.554 0.026 0.000 3.433 558 T HA -0.193 4.162 4.350 0.008 0.000 0.412 558 T C 0.149 174.871 174.700 0.037 0.000 0.768 558 T CA 0.215 62.339 62.100 0.039 0.000 2.077 558 T CB -1.636 67.246 68.868 0.024 0.000 1.700 558 T HN 0.102 nan 8.240 nan 0.000 0.666 559 L N 0.425 121.684 121.223 0.061 0.000 2.344 559 L HA 0.537 4.881 4.340 0.008 0.000 0.272 559 L C 1.108 178.035 176.870 0.096 0.000 1.035 559 L CA -1.083 53.792 54.840 0.058 0.000 0.807 559 L CB 1.013 43.100 42.059 0.047 0.000 1.237 559 L HN 0.153 nan 8.230 nan 0.000 0.442 560 R N 0.724 121.271 120.500 0.078 0.000 2.267 560 R HA 0.355 4.700 4.340 0.008 0.000 0.319 560 R C -1.187 175.181 176.300 0.114 0.000 1.067 560 R CA -0.417 55.733 56.100 0.085 0.000 0.936 560 R CB 0.611 30.947 30.300 0.060 0.000 1.006 560 R HN 0.575 nan 8.270 nan 0.000 0.452 561 C N 4.120 123.500 119.300 0.133 0.000 2.411 561 C HA 0.560 5.024 4.460 0.008 0.000 0.330 561 C C -0.615 174.438 174.990 0.104 0.000 1.224 561 C CA -0.879 58.230 59.018 0.152 0.000 1.770 561 C CB 0.855 28.713 27.740 0.197 0.000 2.297 561 C HN 0.541 nan 8.230 nan 0.000 0.507 562 L N 2.600 123.872 121.223 0.081 0.000 2.365 562 L HA 0.735 5.080 4.340 0.008 0.000 0.273 562 L C 0.258 177.148 176.870 0.034 0.000 1.000 562 L CA -0.261 54.616 54.840 0.061 0.000 0.819 562 L CB 1.494 43.580 42.059 0.044 0.000 1.284 562 L HN 0.871 nan 8.230 nan 0.000 0.418 563 A N 5.049 127.906 122.820 0.062 0.000 2.301 563 A HA 0.801 5.126 4.320 0.008 0.000 0.312 563 A C -0.890 176.701 177.584 0.012 0.000 1.182 563 A CA -0.419 51.667 52.037 0.082 0.000 0.826 563 A CB 0.339 19.462 19.000 0.204 0.000 1.134 563 A HN 0.644 nan 8.150 nan 0.000 0.501 564 L N 1.605 122.753 121.223 -0.126 0.000 2.329 564 L HA 0.830 5.175 4.340 0.008 0.000 0.279 564 L C 0.276 177.032 176.870 -0.190 0.000 1.014 564 L CA -0.391 54.364 54.840 -0.142 0.000 0.814 564 L CB 1.839 43.781 42.059 -0.195 0.000 1.257 564 L HN 0.856 nan 8.230 nan 0.000 0.424 565 A N 1.234 124.024 122.820 -0.049 0.000 2.609 565 A HA 0.837 5.161 4.320 0.008 0.000 0.291 565 A C -0.783 176.853 177.584 0.085 0.000 1.096 565 A CA -0.424 51.611 52.037 -0.003 0.000 0.684 565 A CB 2.231 21.279 19.000 0.079 0.000 1.282 565 A HN 0.629 nan 8.150 nan 0.000 0.412 566 T N -0.784 113.828 114.554 0.096 0.000 2.909 566 T HA 0.658 5.012 4.350 0.008 0.000 0.299 566 T C -0.755 173.963 174.700 0.030 0.000 1.073 566 T CA -0.640 61.522 62.100 0.103 0.000 0.999 566 T CB 1.574 70.569 68.868 0.211 0.000 1.098 566 T HN 0.780 nan 8.240 nan 0.000 0.477 567 R N 2.322 122.791 120.500 -0.051 0.000 2.204 567 R HA 0.226 4.570 4.340 0.008 0.000 0.341 567 R C -0.006 176.231 176.300 -0.105 0.000 1.035 567 R CA -0.508 55.570 56.100 -0.036 0.000 0.887 567 R CB 0.482 30.760 30.300 -0.037 0.000 1.114 567 R HN 0.715 nan 8.270 nan 0.000 0.473 568 D N 1.622 121.983 120.400 -0.065 0.000 2.218 568 D HA -0.075 4.570 4.640 0.008 0.000 0.204 568 D C -0.090 176.144 176.300 -0.109 0.000 0.976 568 D CA 1.516 55.457 54.000 -0.099 0.000 0.853 568 D CB 0.445 41.180 40.800 -0.108 0.000 0.939 568 D HN 0.437 nan 8.370 nan 0.000 0.481 569 T N 2.640 117.148 114.554 -0.077 0.000 3.317 569 T HA 0.236 4.590 4.350 0.008 0.000 0.361 569 T C -2.487 172.190 174.700 -0.037 0.000 1.499 569 T CA -1.239 60.826 62.100 -0.059 0.000 1.529 569 T CB 2.269 71.120 68.868 -0.029 0.000 0.997 569 T HN -0.007 nan 8.240 nan 0.000 0.624 570 P HA 0.305 nan 4.420 nan 0.000 0.271 570 P C -2.636 174.695 177.300 0.051 0.000 1.233 570 P CA -1.140 61.941 63.100 -0.033 0.000 0.789 570 P CB -0.019 31.579 31.700 -0.169 0.000 0.951 571 P HA 0.163 nan 4.420 nan 0.000 0.272 571 P C -0.571 176.784 177.300 0.091 0.000 1.254 571 P CA -0.062 63.080 63.100 0.070 0.000 0.795 571 P CB 0.192 31.911 31.700 0.032 0.000 1.022 572 K N 0.681 121.106 120.400 0.041 0.000 2.379 572 K HA 0.122 4.447 4.320 0.008 0.000 0.284 572 K C 1.328 177.904 176.600 -0.039 0.000 1.044 572 K CA 0.074 56.378 56.287 0.028 0.000 0.974 572 K CB 0.048 32.552 32.500 0.007 0.000 0.962 572 K HN 0.266 nan 8.250 nan 0.000 0.474 573 R N 2.216 122.672 120.500 -0.074 0.000 2.154 573 R HA -0.256 4.088 4.340 0.008 0.000 0.248 573 R C 0.559 176.730 176.300 -0.216 0.000 1.155 573 R CA 1.885 57.841 56.100 -0.240 0.000 0.979 573 R CB 0.120 30.234 30.300 -0.310 0.000 0.869 573 R HN 0.634 nan 8.270 nan 0.000 0.452 574 E N 0.368 120.490 120.200 -0.130 0.000 2.204 574 E HA -0.116 4.238 4.350 0.008 0.000 0.194 574 E C 1.004 177.548 176.600 -0.094 0.000 0.989 574 E CA 0.880 57.216 56.400 -0.106 0.000 0.824 574 E CB 0.082 29.745 29.700 -0.062 0.000 0.756 574 E HN 0.271 nan 8.360 nan 0.000 0.477 575 E N -0.161 119.988 120.200 -0.086 0.000 2.335 575 E HA 0.178 4.532 4.350 0.008 0.000 0.191 575 E C -0.375 176.168 176.600 -0.096 0.000 1.077 575 E CA 0.055 56.423 56.400 -0.053 0.000 1.010 575 E CB -0.037 29.657 29.700 -0.011 0.000 1.141 575 E HN 0.297 nan 8.360 nan 0.000 0.452 576 M N 0.414 119.893 119.600 -0.201 0.000 2.253 576 M HA 0.282 4.767 4.480 0.008 0.000 0.314 576 M C -0.570 175.657 176.300 -0.121 0.000 1.019 576 M CA -0.783 54.305 55.300 -0.352 0.000 0.932 576 M CB 2.697 34.909 32.600 -0.647 0.000 1.606 576 M HN -0.348 nan 8.290 nan 0.000 0.430 577 V N 5.433 125.446 119.914 0.166 0.000 2.334 577 V HA 0.184 4.309 4.120 0.008 0.000 0.267 577 V C 0.783 177.048 176.094 0.286 0.000 1.040 577 V CA -0.238 62.163 62.300 0.169 0.000 0.866 577 V CB 0.562 32.496 31.823 0.186 0.000 1.019 577 V HN 0.828 nan 8.190 nan 0.000 0.468 578 L N 3.095 124.389 121.223 0.118 0.000 2.612 578 L HA 0.111 4.456 4.340 0.008 0.000 0.230 578 L C 1.338 178.365 176.870 0.261 0.000 1.140 578 L CA 0.323 55.289 54.840 0.210 0.000 0.896 578 L CB -0.483 41.523 42.059 -0.088 0.000 1.065 578 L HN 0.756 nan 8.230 nan 0.000 0.447 579 D N -2.705 117.794 120.400 0.165 0.000 2.379 579 D HA -0.041 4.603 4.640 0.008 0.000 0.208 579 D C 0.496 176.817 176.300 0.035 0.000 1.065 579 D CA -0.061 53.996 54.000 0.094 0.000 0.848 579 D CB 0.277 41.103 40.800 0.043 0.000 0.949 579 D HN -0.036 nan 8.370 nan 0.000 0.509 580 D N 0.469 120.873 120.400 0.007 0.000 2.446 580 D HA 0.073 4.717 4.640 0.008 0.000 0.251 580 D C 0.907 176.890 176.300 -0.528 0.000 1.137 580 D CA -0.259 53.646 54.000 -0.159 0.000 0.890 580 D CB 1.428 42.173 40.800 -0.091 0.000 1.071 580 D HN 0.031 nan 8.370 nan 0.000 0.528 581 S N 1.294 116.510 115.700 -0.806 0.000 2.500 581 S HA -0.186 4.288 4.470 0.008 0.000 0.239 581 S C 1.703 175.741 174.600 -0.937 0.000 0.989 581 S CA 1.079 58.319 58.200 -1.600 0.000 0.951 581 S CB -0.277 62.445 63.200 -0.797 0.000 0.759 581 S HN 0.350 nan 8.310 nan 0.000 0.523 582 S N 1.384 116.778 115.700 -0.510 0.000 2.555 582 S HA 0.102 4.576 4.470 0.008 0.000 0.230 582 S C 1.596 176.027 174.600 -0.283 0.000 0.978 582 S CA -0.058 57.957 58.200 -0.308 0.000 0.934 582 S CB -0.323 62.757 63.200 -0.201 0.000 0.766 582 S HN 0.676 nan 8.310 nan 0.000 0.533 583 R N -0.514 119.773 120.500 -0.356 0.000 2.282 583 R HA 0.377 4.721 4.340 0.008 0.000 0.195 583 R C 1.414 177.456 176.300 -0.431 0.000 0.909 583 R CA 0.175 56.052 56.100 -0.372 0.000 1.039 583 R CB -0.289 29.804 30.300 -0.346 0.000 1.015 583 R HN 0.458 nan 8.270 nan 0.000 0.513 584 F N 1.282 121.048 119.950 -0.307 0.000 2.192 584 F HA -0.288 4.244 4.527 0.008 0.000 0.301 584 F C 2.574 178.304 175.800 -0.116 0.000 1.079 584 F CA 0.747 58.668 58.000 -0.132 0.000 1.303 584 F CB -0.215 38.805 39.000 0.033 0.000 1.024 584 F HN 0.057 nan 8.300 nan 0.000 0.494 585 M N 0.616 120.241 119.600 0.042 0.000 2.117 585 M HA -0.248 4.237 4.480 0.008 0.000 0.262 585 M C 2.135 178.436 176.300 0.002 0.000 1.065 585 M CA 1.847 57.158 55.300 0.018 0.000 1.114 585 M CB -0.127 32.457 32.600 -0.028 0.000 1.361 585 M HN -0.031 nan 8.290 nan 0.000 0.408 586 E N -0.186 119.961 120.200 -0.088 0.000 2.106 586 E HA -0.189 4.166 4.350 0.008 0.000 0.192 586 E C 1.506 178.155 176.600 0.081 0.000 0.984 586 E CA 1.826 58.195 56.400 -0.052 0.000 0.806 586 E CB -0.466 29.157 29.700 -0.129 0.000 0.750 586 E HN 0.642 nan 8.360 nan 0.000 0.458 587 Y N 0.903 121.277 120.300 0.123 0.000 2.293 587 Y HA 0.028 4.583 4.550 0.008 0.000 0.291 587 Y C 0.885 176.837 175.900 0.086 0.000 1.137 587 Y CA 0.935 59.104 58.100 0.114 0.000 1.202 587 Y CB -0.374 38.169 38.460 0.138 0.000 0.990 587 Y HN 0.125 nan 8.280 nan 0.000 0.537 588 E N 0.303 120.634 120.200 0.218 0.000 2.325 588 E HA 0.181 4.535 4.350 0.008 0.000 0.295 588 E C -0.223 176.441 176.600 0.108 0.000 1.461 588 E CA -0.037 56.449 56.400 0.142 0.000 1.698 588 E CB 0.072 29.847 29.700 0.125 0.000 1.496 588 E HN 0.049 nan 8.360 nan 0.000 0.474 589 T N -0.007 114.614 114.554 0.112 0.000 2.907 589 T HA 0.116 4.471 4.350 0.008 0.000 0.290 589 T C -0.284 174.474 174.700 0.097 0.000 1.066 589 T CA -0.599 61.554 62.100 0.088 0.000 1.012 589 T CB 1.208 70.123 68.868 0.078 0.000 1.184 589 T HN 0.305 nan 8.240 nan 0.000 0.522 590 D N 0.808 121.257 120.400 0.083 0.000 2.708 590 D HA -0.141 4.504 4.640 0.008 0.000 0.236 590 D C -0.330 176.080 176.300 0.182 0.000 1.146 590 D CA 0.519 54.590 54.000 0.118 0.000 0.662 590 D CB -1.359 39.527 40.800 0.144 0.000 1.059 590 D HN 0.339 nan 8.370 nan 0.000 0.428 591 L N -0.792 120.518 121.223 0.146 0.000 2.468 591 L HA 0.495 4.840 4.340 0.008 0.000 0.254 591 L C 1.082 178.093 176.870 0.234 0.000 1.171 591 L CA -0.387 54.550 54.840 0.161 0.000 0.809 591 L CB 1.001 43.136 42.059 0.126 0.000 1.155 591 L HN -0.040 nan 8.230 nan 0.000 0.473 592 T N 0.905 115.582 114.554 0.204 0.000 2.815 592 T HA 0.304 4.659 4.350 0.008 0.000 0.289 592 T C -0.613 174.201 174.700 0.191 0.000 1.000 592 T CA -0.312 61.928 62.100 0.232 0.000 0.958 592 T CB 0.607 69.568 68.868 0.156 0.000 0.944 592 T HN 0.257 nan 8.240 nan 0.000 0.442 593 F N 4.278 124.278 119.950 0.085 0.000 2.495 593 F HA 0.323 4.855 4.527 0.008 0.000 0.365 593 F C 0.737 176.564 175.800 0.044 0.000 1.090 593 F CA 0.138 58.168 58.000 0.049 0.000 1.235 593 F CB 0.599 39.620 39.000 0.036 0.000 1.119 593 F HN 0.343 nan 8.300 nan 0.000 0.562 594 V N 4.645 124.070 119.914 -0.815 0.000 2.911 594 V HA 0.488 4.613 4.120 0.008 0.000 0.237 594 V C 0.994 176.579 176.094 -0.848 0.000 1.156 594 V CA 0.703 62.647 62.300 -0.593 0.000 1.180 594 V CB 0.041 31.677 31.823 -0.311 0.000 0.932 594 V HN 1.047 nan 8.190 nan 0.000 0.483 595 G N -0.879 107.177 108.800 -1.239 0.000 2.342 595 G HA2 0.511 4.475 3.960 0.008 0.000 0.297 595 G HA3 0.511 4.475 3.960 0.008 0.000 0.297 595 G C -2.206 172.293 174.900 -0.669 0.000 1.313 595 G CA -0.148 44.448 45.100 -0.841 0.000 0.830 595 G HN -0.018 nan 8.290 nan 0.000 0.506 596 V N -0.269 119.247 119.914 -0.664 0.000 2.876 596 V HA 0.793 4.917 4.120 0.008 0.000 0.312 596 V C -0.154 175.823 176.094 -0.196 0.000 1.085 596 V CA -0.604 61.419 62.300 -0.462 0.000 0.945 596 V CB 1.830 33.203 31.823 -0.750 0.000 1.017 596 V HN 1.467 nan 8.190 nan 0.000 0.428 597 V N 0.424 120.327 119.914 -0.018 0.000 2.735 597 V HA 1.053 5.178 4.120 0.008 0.000 0.310 597 V C 0.029 176.228 176.094 0.175 0.000 1.061 597 V CA -0.435 61.917 62.300 0.088 0.000 0.913 597 V CB 1.668 33.502 31.823 0.018 0.000 1.005 597 V HN 1.055 nan 8.190 nan 0.000 0.428 598 G N 5.150 114.072 108.800 0.203 0.000 2.544 598 G HA2 0.715 4.680 3.960 0.008 0.000 0.313 598 G HA3 0.715 4.680 3.960 0.008 0.000 0.313 598 G C -0.763 174.165 174.900 0.046 0.000 1.316 598 G CA -0.865 44.338 45.100 0.171 0.000 0.944 598 G HN 1.206 nan 8.290 nan 0.000 0.489 599 M N 1.894 121.520 119.600 0.044 0.000 2.690 599 M HA 0.919 5.404 4.480 0.008 0.000 0.302 599 M C -1.070 175.234 176.300 0.005 0.000 1.234 599 M CA -1.096 54.213 55.300 0.014 0.000 0.853 599 M CB 2.630 35.247 32.600 0.028 0.000 1.748 599 M HN 0.585 nan 8.290 nan 0.000 0.469 600 L N -0.642 120.573 121.223 -0.013 0.000 2.671 600 L HA 0.682 5.026 4.340 0.008 0.000 0.259 600 L C -1.888 174.962 176.870 -0.033 0.000 1.021 600 L CA -0.834 53.994 54.840 -0.019 0.000 0.871 600 L CB 2.304 44.343 42.059 -0.033 0.000 1.472 600 L HN 0.804 nan 8.230 nan 0.000 0.410 601 D N 3.411 123.791 120.400 -0.033 0.000 2.411 601 D HA 0.401 5.046 4.640 0.008 0.000 0.225 601 D C -2.370 173.894 176.300 -0.060 0.000 1.156 601 D CA -1.751 52.218 54.000 -0.051 0.000 0.874 601 D CB 0.983 41.762 40.800 -0.034 0.000 1.034 601 D HN 0.436 nan 8.370 nan 0.000 0.502 602 P HA 0.252 nan 4.420 nan 0.000 0.275 602 P C -2.687 174.569 177.300 -0.073 0.000 1.228 602 P CA -1.489 61.567 63.100 -0.072 0.000 0.786 602 P CB 0.753 32.408 31.700 -0.076 0.000 0.927 603 P HA 0.164 nan 4.420 nan 0.000 0.272 603 P C -0.009 177.249 177.300 -0.070 0.000 1.223 603 P CA -0.061 62.990 63.100 -0.081 0.000 0.784 603 P CB 0.789 32.432 31.700 -0.094 0.000 0.923 604 R N 1.433 121.893 120.500 -0.065 0.000 2.694 604 R HA 0.084 4.428 4.340 0.008 0.000 0.268 604 R C 1.826 178.101 176.300 -0.042 0.000 1.061 604 R CA -0.207 55.868 56.100 -0.041 0.000 1.133 604 R CB 0.314 30.604 30.300 -0.016 0.000 1.020 604 R HN 0.459 nan 8.270 nan 0.000 0.475 605 K N 1.821 122.206 120.400 -0.025 0.000 2.032 605 K HA -0.203 4.121 4.320 0.008 0.000 0.209 605 K C 1.791 178.380 176.600 -0.018 0.000 1.048 605 K CA 1.751 58.025 56.287 -0.022 0.000 0.927 605 K CB 0.040 32.534 32.500 -0.011 0.000 0.712 605 K HN 0.632 nan 8.250 nan 0.000 0.441 606 E N 1.625 121.825 120.200 0.001 0.000 2.347 606 E HA -0.095 4.259 4.350 0.008 0.000 0.196 606 E C 1.929 178.529 176.600 0.000 0.000 1.008 606 E CA 0.706 57.115 56.400 0.016 0.000 0.852 606 E CB -0.663 29.066 29.700 0.049 0.000 0.783 606 E HN 0.031 nan 8.360 nan 0.000 0.505 607 V N 2.208 122.092 119.914 -0.051 0.000 2.250 607 V HA -0.357 3.768 4.120 0.008 0.000 0.253 607 V C 2.803 178.799 176.094 -0.163 0.000 1.065 607 V CA 2.660 64.854 62.300 -0.176 0.000 1.039 607 V CB -0.749 30.916 31.823 -0.263 0.000 0.647 607 V HN 0.305 nan 8.190 nan 0.000 0.446 608 M N 0.087 119.618 119.600 -0.114 0.000 2.080 608 M HA -0.164 4.321 4.480 0.008 0.000 0.260 608 M C 2.123 178.391 176.300 -0.053 0.000 1.068 608 M CA 2.492 57.738 55.300 -0.091 0.000 1.109 608 M CB -0.739 31.821 32.600 -0.067 0.000 1.342 608 M HN 0.474 nan 8.290 nan 0.000 0.405 609 G N -0.859 107.925 108.800 -0.027 0.000 2.440 609 G HA2 -0.215 3.750 3.960 0.008 0.000 0.218 609 G HA3 -0.215 3.750 3.960 0.008 0.000 0.218 609 G C 1.413 176.325 174.900 0.020 0.000 1.154 609 G CA 1.196 46.295 45.100 -0.002 0.000 0.767 609 G HN 0.539 nan 8.290 nan 0.000 0.552 610 S N 0.535 116.262 115.700 0.046 0.000 2.382 610 S HA -0.068 4.407 4.470 0.008 0.000 0.228 610 S C 2.257 176.923 174.600 0.110 0.000 1.027 610 S CA 0.783 59.058 58.200 0.124 0.000 0.991 610 S CB -0.125 63.252 63.200 0.295 0.000 0.823 610 S HN 0.264 nan 8.310 nan 0.000 0.469 611 I N 1.609 122.189 120.570 0.017 0.000 2.286 611 I HA -0.130 4.044 4.170 0.008 0.000 0.248 611 I C 2.608 178.730 176.117 0.008 0.000 1.115 611 I CA 1.288 62.584 61.300 -0.007 0.000 1.392 611 I CB -1.384 36.559 38.000 -0.095 0.000 1.065 611 I HN 0.293 nan 8.210 nan 0.000 0.418 612 Q N 1.360 121.161 119.800 0.001 0.000 2.050 612 Q HA -0.132 4.212 4.340 0.008 0.000 0.202 612 Q C 2.269 178.278 176.000 0.016 0.000 0.980 612 Q CA 1.635 57.440 55.803 0.003 0.000 0.840 612 Q CB -0.437 28.301 28.738 -0.000 0.000 0.898 612 Q HN 0.488 nan 8.270 nan 0.000 0.424 613 L N -0.811 120.428 121.223 0.028 0.000 2.046 613 L HA -0.258 4.086 4.340 0.008 0.000 0.208 613 L C 2.539 179.429 176.870 0.032 0.000 1.077 613 L CA 1.159 56.017 54.840 0.030 0.000 0.747 613 L CB -0.640 41.441 42.059 0.037 0.000 0.896 613 L HN 0.355 nan 8.230 nan 0.000 0.432 614 C N -0.631 118.697 119.300 0.048 0.000 2.429 614 C HA -0.179 4.286 4.460 0.008 0.000 0.277 614 C C 3.013 178.019 174.990 0.026 0.000 1.262 614 C CA 0.817 59.862 59.018 0.045 0.000 1.733 614 C CB -0.969 26.818 27.740 0.078 0.000 2.010 614 C HN 0.474 nan 8.230 nan 0.000 0.483 615 R N 0.950 121.463 120.500 0.021 0.000 2.081 615 R HA -0.143 4.202 4.340 0.008 0.000 0.235 615 R C 1.614 177.920 176.300 0.009 0.000 1.131 615 R CA 1.921 58.027 56.100 0.010 0.000 0.960 615 R CB -0.363 29.939 30.300 0.004 0.000 0.856 615 R HN 0.500 nan 8.270 nan 0.000 0.436 616 D N 0.146 120.552 120.400 0.011 0.000 2.178 616 D HA -0.120 4.524 4.640 0.008 0.000 0.201 616 D C 1.180 177.485 176.300 0.009 0.000 0.980 616 D CA 1.409 55.414 54.000 0.009 0.000 0.842 616 D CB -0.057 40.749 40.800 0.010 0.000 0.948 616 D HN 0.375 nan 8.370 nan 0.000 0.472 617 A N -0.179 122.647 122.820 0.011 0.000 2.302 617 A HA 0.441 4.766 4.320 0.008 0.000 0.219 617 A C 1.587 179.175 177.584 0.007 0.000 1.243 617 A CA 0.704 52.747 52.037 0.009 0.000 0.856 617 A CB -0.399 18.607 19.000 0.010 0.000 0.893 617 A HN 0.197 nan 8.150 nan 0.000 0.491 618 G N -0.443 108.360 108.800 0.006 0.000 2.198 618 G HA2 -0.238 3.727 3.960 0.008 0.000 0.260 618 G HA3 -0.238 3.727 3.960 0.008 0.000 0.260 618 G C -0.026 174.876 174.900 0.003 0.000 1.025 618 G CA 0.533 45.635 45.100 0.004 0.000 0.769 618 G HN 0.540 nan 8.290 nan 0.000 0.507 619 I N 0.149 120.723 120.570 0.007 0.000 2.354 619 I HA 0.412 4.586 4.170 0.008 0.000 0.292 619 I C 0.904 177.029 176.117 0.013 0.000 0.989 619 I CA -0.896 60.410 61.300 0.010 0.000 1.188 619 I CB 1.373 39.381 38.000 0.014 0.000 1.342 619 I HN 0.006 nan 8.210 nan 0.000 0.457 620 R N 4.328 124.833 120.500 0.009 0.000 2.500 620 R HA 0.651 4.995 4.340 0.008 0.000 0.275 620 R C -1.154 175.155 176.300 0.016 0.000 1.051 620 R CA -0.549 55.555 56.100 0.005 0.000 1.088 620 R CB 1.775 32.075 30.300 -0.001 0.000 1.063 620 R HN 0.374 nan 8.270 nan 0.000 0.511 621 V N 5.368 125.282 119.914 -0.000 0.000 2.444 621 V HA 0.426 4.550 4.120 0.008 0.000 0.294 621 V C -0.090 175.984 176.094 -0.033 0.000 1.022 621 V CA -0.610 61.693 62.300 0.005 0.000 0.850 621 V CB 1.690 33.509 31.823 -0.006 0.000 0.992 621 V HN 0.607 nan 8.190 nan 0.000 0.426 622 I N 5.076 125.648 120.570 0.003 0.000 2.406 622 I HA 0.471 4.645 4.170 0.008 0.000 0.290 622 I C -0.073 176.053 176.117 0.016 0.000 0.999 622 I CA -0.433 60.875 61.300 0.013 0.000 1.124 622 I CB 1.874 39.937 38.000 0.104 0.000 1.289 622 I HN 0.575 nan 8.210 nan 0.000 0.441 623 M N 7.698 127.278 119.600 -0.033 0.000 2.146 623 M HA 0.506 4.991 4.480 0.008 0.000 0.357 623 M C -1.380 174.965 176.300 0.076 0.000 1.261 623 M CA -0.051 55.236 55.300 -0.021 0.000 1.106 623 M CB 0.616 33.154 32.600 -0.103 0.000 1.612 623 M HN 0.497 nan 8.290 nan 0.000 0.470 624 I N 4.581 125.194 120.570 0.072 0.000 2.448 624 I HA 0.314 4.488 4.170 0.008 0.000 0.281 624 I C -0.444 175.702 176.117 0.049 0.000 1.027 624 I CA -0.399 60.958 61.300 0.095 0.000 1.111 624 I CB 1.927 39.950 38.000 0.039 0.000 1.236 624 I HN 0.625 nan 8.210 nan 0.000 0.452 625 T N 2.751 117.336 114.554 0.052 0.000 2.900 625 T HA 0.482 4.837 4.350 0.008 0.000 0.295 625 T C 0.954 175.670 174.700 0.027 0.000 1.044 625 T CA -0.289 61.827 62.100 0.027 0.000 0.995 625 T CB 1.817 70.693 68.868 0.013 0.000 1.072 625 T HN 0.684 nan 8.240 nan 0.000 0.473 626 G N 1.962 110.771 108.800 0.016 0.000 2.712 626 G HA2 0.086 4.051 3.960 0.008 0.000 0.212 626 G HA3 0.086 4.051 3.960 0.008 0.000 0.212 626 G C 0.543 175.451 174.900 0.014 0.000 1.142 626 G CA 0.006 45.114 45.100 0.013 0.000 0.789 626 G HN 0.689 nan 8.290 nan 0.000 0.535 627 D N 0.462 120.870 120.400 0.013 0.000 2.384 627 D HA 0.058 4.703 4.640 0.008 0.000 0.244 627 D C 0.336 176.648 176.300 0.019 0.000 1.251 627 D CA -0.438 53.571 54.000 0.014 0.000 0.961 627 D CB 0.440 41.245 40.800 0.009 0.000 1.116 627 D HN -0.066 nan 8.370 nan 0.000 0.484 628 N N 1.054 119.766 118.700 0.021 0.000 2.482 628 N HA -0.026 4.718 4.740 0.008 0.000 0.260 628 N C 0.886 176.408 175.510 0.019 0.000 1.236 628 N CA -0.175 52.889 53.050 0.024 0.000 0.938 628 N CB 0.831 39.335 38.487 0.027 0.000 1.128 628 N HN 0.411 nan 8.380 nan 0.000 0.448 629 K N 1.342 121.754 120.400 0.020 0.000 2.032 629 K HA -0.155 4.169 4.320 0.008 0.000 0.209 629 K C 1.811 178.416 176.600 0.009 0.000 1.048 629 K CA 1.701 57.995 56.287 0.012 0.000 0.927 629 K CB -0.563 31.940 32.500 0.006 0.000 0.712 629 K HN 0.689 nan 8.250 nan 0.000 0.441 630 G N -0.001 108.805 108.800 0.011 0.000 2.553 630 G HA2 -0.372 3.592 3.960 0.008 0.000 0.218 630 G HA3 -0.372 3.592 3.960 0.008 0.000 0.218 630 G C 1.540 176.448 174.900 0.013 0.000 1.195 630 G CA 1.885 46.992 45.100 0.011 0.000 0.779 630 G HN 0.543 nan 8.290 nan 0.000 0.577 631 T N -0.570 113.992 114.554 0.014 0.000 2.985 631 T HA 0.334 4.689 4.350 0.008 0.000 0.266 631 T C 2.534 177.235 174.700 0.002 0.000 1.076 631 T CA 1.618 63.723 62.100 0.008 0.000 1.135 631 T CB -0.258 68.614 68.868 0.007 0.000 0.890 631 T HN 0.380 nan 8.240 nan 0.000 0.480 632 A N 1.379 124.202 122.820 0.005 0.000 1.902 632 A HA 0.126 4.451 4.320 0.008 0.000 0.217 632 A C 2.340 179.930 177.584 0.010 0.000 1.181 632 A CA 1.466 53.501 52.037 -0.003 0.000 0.623 632 A CB -0.770 18.231 19.000 0.001 0.000 0.818 632 A HN 0.618 nan 8.150 nan 0.000 0.443 633 I N -0.357 120.240 120.570 0.046 0.000 2.202 633 I HA -0.242 3.933 4.170 0.008 0.000 0.242 633 I C 2.964 179.136 176.117 0.091 0.000 1.091 633 I CA 0.971 62.344 61.300 0.122 0.000 1.368 633 I CB -0.318 37.733 38.000 0.085 0.000 1.058 633 I HN 0.346 nan 8.210 nan 0.000 0.410 634 A N 0.941 123.783 122.820 0.037 0.000 1.940 634 A HA -0.186 4.138 4.320 0.008 0.000 0.219 634 A C 2.247 179.830 177.584 -0.002 0.000 1.176 634 A CA 1.469 53.516 52.037 0.016 0.000 0.631 634 A CB -0.591 18.410 19.000 0.003 0.000 0.814 634 A HN 0.338 nan 8.150 nan 0.000 0.446 635 I N -0.702 119.857 120.570 -0.017 0.000 2.353 635 I HA -0.188 3.987 4.170 0.008 0.000 0.248 635 I C 2.513 178.588 176.117 -0.070 0.000 1.119 635 I CA 0.821 62.092 61.300 -0.049 0.000 1.417 635 I CB -1.476 36.488 38.000 -0.059 0.000 1.078 635 I HN 0.358 nan 8.210 nan 0.000 0.421 636 C N 0.787 120.045 119.300 -0.070 0.000 2.413 636 C HA -0.153 4.311 4.460 0.008 0.000 0.277 636 C C 2.969 177.922 174.990 -0.061 0.000 1.265 636 C CA 0.808 59.734 59.018 -0.153 0.000 1.752 636 C CB -1.017 26.554 27.740 -0.282 0.000 1.998 636 C HN 0.435 nan 8.230 nan 0.000 0.489 637 R N 0.064 120.590 120.500 0.044 0.000 2.073 637 R HA -0.030 4.315 4.340 0.008 0.000 0.229 637 R C 2.439 178.737 176.300 -0.005 0.000 1.120 637 R CA 0.958 57.092 56.100 0.056 0.000 0.967 637 R CB -0.280 30.056 30.300 0.060 0.000 0.862 637 R HN 0.554 nan 8.270 nan 0.000 0.436 638 R N 0.901 121.384 120.500 -0.028 0.000 2.120 638 R HA -0.071 4.274 4.340 0.008 0.000 0.234 638 R C 2.153 178.415 176.300 -0.063 0.000 1.123 638 R CA 1.352 57.425 56.100 -0.045 0.000 0.975 638 R CB -0.235 30.034 30.300 -0.053 0.000 0.866 638 R HN 0.374 nan 8.270 nan 0.000 0.446 639 I N -3.645 116.872 120.570 -0.087 0.000 3.883 639 I HA 0.365 4.540 4.170 0.008 0.000 0.326 639 I C 0.681 176.732 176.117 -0.110 0.000 1.283 639 I CA 0.451 61.682 61.300 -0.115 0.000 1.161 639 I CB 0.614 38.513 38.000 -0.169 0.000 1.012 639 I HN 0.175 nan 8.210 nan 0.000 0.421 640 G N 2.052 110.804 108.800 -0.080 0.000 2.136 640 G HA2 -0.253 3.711 3.960 0.008 0.000 0.242 640 G HA3 -0.253 3.711 3.960 0.008 0.000 0.242 640 G C 0.598 175.447 174.900 -0.085 0.000 0.989 640 G CA 0.456 45.520 45.100 -0.061 0.000 0.682 640 G HN 0.513 nan 8.290 nan 0.000 0.522 641 I N -0.994 119.480 120.570 -0.159 0.000 2.584 641 I HA 0.280 4.455 4.170 0.008 0.000 0.255 641 I C 0.981 176.965 176.117 -0.221 0.000 1.145 641 I CA 0.869 62.004 61.300 -0.275 0.000 1.462 641 I CB 0.027 37.743 38.000 -0.474 0.000 1.102 641 I HN 0.213 nan 8.210 nan 0.000 0.433 642 F N -0.278 119.633 119.950 -0.064 0.000 2.577 642 F HA 0.506 5.037 4.527 0.007 0.000 0.318 642 F C 0.838 176.605 175.800 -0.055 0.000 1.065 642 F CA -1.209 56.753 58.000 -0.063 0.000 0.929 642 F CB 1.594 40.550 39.000 -0.074 0.000 1.237 642 F HN -0.207 nan 8.300 nan 0.000 0.468 643 G N 1.014 109.909 108.800 0.160 0.000 2.569 643 G HA2 0.106 4.071 3.960 0.008 0.000 0.249 643 G HA3 0.106 4.071 3.960 0.008 0.000 0.249 643 G C 0.605 175.525 174.900 0.034 0.000 1.216 643 G CA -0.348 44.787 45.100 0.059 0.000 0.845 643 G HN 0.723 nan 8.290 nan 0.000 0.568 644 E N 0.707 120.914 120.200 0.012 0.000 2.097 644 E HA -0.140 4.214 4.350 0.008 0.000 0.196 644 E C 0.804 177.394 176.600 -0.016 0.000 1.000 644 E CA 1.209 57.609 56.400 -0.001 0.000 0.804 644 E CB 0.110 29.805 29.700 -0.007 0.000 0.740 644 E HN 0.545 nan 8.360 nan 0.000 0.454 645 N N 0.839 119.523 118.700 -0.026 0.000 2.351 645 N HA 0.043 4.787 4.740 0.008 0.000 0.254 645 N C -0.235 175.236 175.510 -0.064 0.000 1.241 645 N CA -0.023 53.002 53.050 -0.042 0.000 0.883 645 N CB 1.147 39.614 38.487 -0.033 0.000 1.202 645 N HN 0.218 nan 8.380 nan 0.000 0.512 646 E N 1.445 121.598 120.200 -0.079 0.000 2.373 646 E HA 0.023 4.378 4.350 0.008 0.000 0.263 646 E C -0.514 175.970 176.600 -0.193 0.000 1.073 646 E CA -0.299 56.028 56.400 -0.122 0.000 0.894 646 E CB 0.897 30.523 29.700 -0.123 0.000 1.008 646 E HN -0.015 nan 8.360 nan 0.000 0.420 647 E N 2.691 122.775 120.200 -0.194 0.000 2.167 647 E HA 0.111 4.466 4.350 0.008 0.000 0.284 647 E C -0.183 176.222 176.600 -0.326 0.000 1.016 647 E CA -0.365 55.907 56.400 -0.214 0.000 0.817 647 E CB 1.311 30.922 29.700 -0.147 0.000 1.080 647 E HN 0.329 nan 8.360 nan 0.000 0.397 648 V N 2.301 121.971 119.914 -0.408 0.000 3.276 648 V HA 0.458 4.583 4.120 0.008 0.000 0.319 648 V C 1.458 177.307 176.094 -0.409 0.000 1.427 648 V CA 0.451 62.414 62.300 -0.561 0.000 1.102 648 V CB 0.040 31.300 31.823 -0.939 0.000 1.020 648 V HN 0.616 nan 8.190 nan 0.000 0.456 649 A N 2.413 125.057 122.820 -0.293 0.000 1.958 649 A HA -0.263 4.062 4.320 0.008 0.000 0.221 649 A C 1.771 179.157 177.584 -0.329 0.000 1.178 649 A CA 2.439 54.324 52.037 -0.254 0.000 0.642 649 A CB -0.525 18.378 19.000 -0.160 0.000 0.816 649 A HN 0.863 nan 8.150 nan 0.000 0.453 650 D N -2.545 117.687 120.400 -0.280 0.000 2.501 650 D HA 0.125 4.769 4.640 0.008 0.000 0.226 650 D C 0.964 177.125 176.300 -0.231 0.000 1.198 650 D CA -0.179 53.679 54.000 -0.236 0.000 0.830 650 D CB -0.108 40.674 40.800 -0.031 0.000 1.014 650 D HN 0.502 nan 8.370 nan 0.000 0.496 651 R N -0.226 120.061 120.500 -0.355 0.000 2.531 651 R HA 0.446 4.791 4.340 0.008 0.000 0.316 651 R C -0.060 176.128 176.300 -0.187 0.000 0.955 651 R CA -0.106 55.892 56.100 -0.170 0.000 1.120 651 R CB 1.750 31.981 30.300 -0.115 0.000 1.361 651 R HN 0.106 nan 8.270 nan 0.000 0.534 652 A N 0.751 123.273 122.820 -0.498 0.000 2.408 652 A HA 0.697 5.021 4.320 0.008 0.000 0.295 652 A C -1.614 175.606 177.584 -0.606 0.000 1.040 652 A CA -0.470 51.331 52.037 -0.395 0.000 0.707 652 A CB 0.934 19.834 19.000 -0.166 0.000 1.235 652 A HN 0.136 nan 8.150 nan 0.000 0.418 653 Y N 0.136 120.289 120.300 -0.245 0.000 2.553 653 Y HA 0.614 5.168 4.550 0.008 0.000 0.347 653 Y C 0.974 176.888 175.900 0.022 0.000 1.019 653 Y CA -0.335 57.734 58.100 -0.050 0.000 1.032 653 Y CB 2.275 40.791 38.460 0.093 0.000 1.284 653 Y HN 0.786 nan 8.280 nan 0.000 0.466 654 T N -2.330 112.361 114.554 0.228 0.000 2.874 654 T HA 0.351 4.705 4.350 0.008 0.000 0.281 654 T C 1.323 176.101 174.700 0.129 0.000 0.994 654 T CA -0.129 62.048 62.100 0.129 0.000 1.015 654 T CB 1.299 70.219 68.868 0.087 0.000 1.028 654 T HN 0.861 nan 8.240 nan 0.000 0.523 655 G N 0.371 109.116 108.800 -0.092 0.000 2.442 655 G HA2 -0.178 3.786 3.960 0.008 0.000 0.219 655 G HA3 -0.178 3.786 3.960 0.008 0.000 0.219 655 G C 1.739 176.575 174.900 -0.107 0.000 1.141 655 G CA 0.057 44.862 45.100 -0.493 0.000 0.763 655 G HN 0.566 nan 8.290 nan 0.000 0.554 656 R N 0.514 121.034 120.500 0.033 0.000 2.066 656 R HA 0.007 4.351 4.340 0.008 0.000 0.232 656 R C 2.486 178.868 176.300 0.137 0.000 1.131 656 R CA 1.176 57.353 56.100 0.128 0.000 0.955 656 R CB -0.747 29.619 30.300 0.110 0.000 0.851 656 R HN 0.532 nan 8.270 nan 0.000 0.432 657 E N -0.446 119.853 120.200 0.164 0.000 2.085 657 E HA -0.206 4.148 4.350 0.008 0.000 0.194 657 E C 1.736 178.432 176.600 0.160 0.000 0.994 657 E CA 1.315 57.832 56.400 0.196 0.000 0.801 657 E CB -0.261 29.624 29.700 0.309 0.000 0.743 657 E HN 0.254 nan 8.360 nan 0.000 0.453 658 F N 1.864 121.829 119.950 0.025 0.000 2.134 658 F HA -0.202 4.330 4.527 0.007 0.000 0.299 658 F C 1.743 177.525 175.800 -0.030 0.000 1.097 658 F CA 1.338 59.286 58.000 -0.087 0.000 1.264 658 F CB 0.134 39.154 39.000 0.034 0.000 1.001 658 F HN -0.101 nan 8.300 nan 0.000 0.479 659 D N 0.429 120.838 120.400 0.015 0.000 2.178 659 D HA -0.167 4.477 4.640 0.008 0.000 0.201 659 D C 1.677 177.921 176.300 -0.092 0.000 0.980 659 D CA 1.335 55.308 54.000 -0.045 0.000 0.842 659 D CB -0.452 40.436 40.800 0.147 0.000 0.948 659 D HN 0.386 nan 8.370 nan 0.000 0.472 660 D N 0.175 120.548 120.400 -0.045 0.000 2.269 660 D HA -0.006 4.638 4.640 0.008 0.000 0.208 660 D C 0.883 177.133 176.300 -0.083 0.000 0.963 660 D CA 0.092 54.071 54.000 -0.036 0.000 0.864 660 D CB 0.108 40.915 40.800 0.012 0.000 0.936 660 D HN 0.235 nan 8.370 nan 0.000 0.505 661 L N 2.770 123.897 121.223 -0.159 0.000 2.485 661 L HA 0.086 4.431 4.340 0.008 0.000 0.275 661 L C -1.845 174.918 176.870 -0.179 0.000 1.207 661 L CA -1.333 53.399 54.840 -0.180 0.000 0.855 661 L CB -0.135 41.747 42.059 -0.295 0.000 1.114 661 L HN -0.114 nan 8.230 nan 0.000 0.485 662 P HA -0.077 nan 4.420 nan 0.000 0.268 662 P C 0.706 177.928 177.300 -0.131 0.000 1.204 662 P CA -0.346 62.694 63.100 -0.098 0.000 0.768 662 P CB 0.932 32.594 31.700 -0.063 0.000 0.842 663 L N 3.779 124.941 121.223 -0.102 0.000 2.171 663 L HA -0.313 4.032 4.340 0.008 0.000 0.216 663 L C 2.292 179.100 176.870 -0.103 0.000 1.084 663 L CA 2.736 57.524 54.840 -0.086 0.000 0.771 663 L CB -1.285 40.759 42.059 -0.026 0.000 0.890 663 L HN 0.526 nan 8.230 nan 0.000 0.437 664 A N -1.049 121.720 122.820 -0.086 0.000 1.854 664 A HA -0.164 4.161 4.320 0.008 0.000 0.214 664 A C 2.099 179.624 177.584 -0.098 0.000 1.192 664 A CA 1.425 53.418 52.037 -0.072 0.000 0.611 664 A CB -0.576 18.398 19.000 -0.043 0.000 0.832 664 A HN 0.579 nan 8.150 nan 0.000 0.442 665 E N 0.030 120.167 120.200 -0.104 0.000 2.338 665 E HA -0.179 4.175 4.350 0.008 0.000 0.197 665 E C 2.119 178.620 176.600 -0.164 0.000 1.007 665 E CA 0.827 57.169 56.400 -0.097 0.000 0.849 665 E CB -0.164 29.491 29.700 -0.076 0.000 0.774 665 E HN 0.693 nan 8.360 nan 0.000 0.506 666 Q N 0.542 120.152 119.800 -0.316 0.000 2.050 666 Q HA -0.173 4.171 4.340 0.008 0.000 0.202 666 Q C 2.246 178.023 176.000 -0.372 0.000 0.980 666 Q CA 1.089 56.580 55.803 -0.521 0.000 0.840 666 Q CB -0.196 28.005 28.738 -0.896 0.000 0.898 666 Q HN 0.152 nan 8.270 nan 0.000 0.424 667 R N 0.721 120.927 120.500 -0.490 0.000 2.091 667 R HA -0.214 4.131 4.340 0.008 0.000 0.238 667 R C 2.172 178.536 176.300 0.107 0.000 1.136 667 R CA 1.690 57.637 56.100 -0.255 0.000 0.959 667 R CB -0.009 30.221 30.300 -0.117 0.000 0.856 667 R HN 0.109 nan 8.270 nan 0.000 0.437 668 E N 0.330 120.578 120.200 0.079 0.000 2.072 668 E HA -0.110 4.245 4.350 0.008 0.000 0.191 668 E C 1.670 178.328 176.600 0.096 0.000 0.985 668 E CA 1.687 58.154 56.400 0.112 0.000 0.801 668 E CB -0.302 29.444 29.700 0.076 0.000 0.750 668 E HN 0.399 nan 8.360 nan 0.000 0.452 669 A N 0.003 122.887 122.820 0.107 0.000 1.948 669 A HA -0.238 4.087 4.320 0.008 0.000 0.220 669 A C 2.549 180.303 177.584 0.284 0.000 1.177 669 A CA 1.628 53.785 52.037 0.200 0.000 0.636 669 A CB -1.142 17.950 19.000 0.153 0.000 0.815 669 A HN 0.506 nan 8.150 nan 0.000 0.449 670 C N -1.352 118.097 119.300 0.248 0.000 2.432 670 C HA 0.007 4.472 4.460 0.008 0.000 0.282 670 C C 2.694 177.749 174.990 0.108 0.000 1.388 670 C CA 0.904 60.052 59.018 0.217 0.000 1.777 670 C CB -1.288 26.549 27.740 0.161 0.000 1.882 670 C HN 0.565 nan 8.230 nan 0.000 0.520 671 R N -0.348 120.157 120.500 0.009 0.000 2.254 671 R HA 0.059 4.404 4.340 0.008 0.000 0.195 671 R C 2.327 178.620 176.300 -0.011 0.000 0.957 671 R CA 0.303 56.340 56.100 -0.105 0.000 1.024 671 R CB -0.035 30.084 30.300 -0.302 0.000 0.952 671 R HN 0.521 nan 8.270 nan 0.000 0.484 672 R N 0.134 120.673 120.500 0.065 0.000 2.164 672 R HA 0.221 4.566 4.340 0.008 0.000 0.198 672 R C 0.094 176.462 176.300 0.112 0.000 1.028 672 R CA 0.390 56.539 56.100 0.081 0.000 1.083 672 R CB 0.374 30.731 30.300 0.096 0.000 1.026 672 R HN 0.024 nan 8.270 nan 0.000 0.514 673 A N 0.104 123.021 122.820 0.162 0.000 2.388 673 A HA 0.258 4.583 4.320 0.008 0.000 0.257 673 A C 0.276 177.880 177.584 0.034 0.000 1.095 673 A CA -0.433 51.656 52.037 0.087 0.000 0.791 673 A CB 0.724 19.741 19.000 0.027 0.000 1.029 673 A HN 0.568 nan 8.150 nan 0.000 0.489 674 C N 0.474 119.766 119.300 -0.014 0.000 3.336 674 C HA 0.398 4.863 4.460 0.008 0.000 0.291 674 C C 0.414 175.250 174.990 -0.257 0.000 1.363 674 C CA -0.306 58.636 59.018 -0.128 0.000 1.737 674 C CB -1.360 26.228 27.740 -0.254 0.000 2.274 674 C HN 0.839 nan 8.230 nan 0.000 0.663 675 C N 1.397 120.511 119.300 -0.309 0.000 2.607 675 C HA 0.726 5.190 4.460 0.008 0.000 0.350 675 C C -1.581 173.120 174.990 -0.481 0.000 1.101 675 C CA -0.552 58.305 59.018 -0.268 0.000 1.282 675 C CB -0.541 27.143 27.740 -0.094 0.000 1.825 675 C HN 0.422 nan 8.230 nan 0.000 0.460 676 F N 4.772 124.715 119.950 -0.012 0.000 2.477 676 F HA 0.740 5.272 4.527 0.007 0.000 0.335 676 F C 0.524 176.302 175.800 -0.036 0.000 1.130 676 F CA -0.093 57.891 58.000 -0.026 0.000 0.948 676 F CB 1.800 40.729 39.000 -0.118 0.000 1.154 676 F HN 0.853 nan 8.300 nan 0.000 0.439 677 A N 2.354 125.241 122.820 0.112 0.000 2.387 677 A HA 0.810 5.135 4.320 0.008 0.000 0.303 677 A C 0.365 177.970 177.584 0.035 0.000 1.145 677 A CA -0.959 51.112 52.037 0.057 0.000 0.801 677 A CB 1.106 20.126 19.000 0.033 0.000 1.342 677 A HN 0.792 nan 8.150 nan 0.000 0.440 678 R N -1.195 119.321 120.500 0.027 0.000 3.416 678 R HA -0.137 4.207 4.340 0.008 0.000 0.263 678 R C -0.531 175.775 176.300 0.010 0.000 1.053 678 R CA 0.627 56.740 56.100 0.023 0.000 0.705 678 R CB -2.147 28.170 30.300 0.030 0.000 1.124 678 R HN 0.492 nan 8.270 nan 0.000 0.444 679 V N 0.696 120.620 119.914 0.017 0.000 2.863 679 V HA 0.189 4.314 4.120 0.008 0.000 0.307 679 V C 1.015 177.212 176.094 0.172 0.000 1.061 679 V CA -0.173 62.158 62.300 0.052 0.000 1.024 679 V CB 1.852 33.694 31.823 0.031 0.000 1.049 679 V HN 0.185 nan 8.190 nan 0.000 0.471 680 E N 3.946 124.395 120.200 0.415 0.000 2.232 680 E HA 0.307 4.661 4.350 0.008 0.000 0.264 680 E C -1.873 174.750 176.600 0.038 0.000 0.973 680 E CA -1.680 54.792 56.400 0.120 0.000 0.849 680 E CB 1.405 31.105 29.700 -0.001 0.000 1.198 680 E HN 0.373 nan 8.360 nan 0.000 0.407 681 P HA -0.177 nan 4.420 nan 0.000 0.216 681 P C 1.173 178.436 177.300 -0.062 0.000 1.154 681 P CA 1.392 64.459 63.100 -0.056 0.000 0.865 681 P CB 0.223 31.873 31.700 -0.085 0.000 0.789 682 S N -1.717 113.916 115.700 -0.112 0.000 2.383 682 S HA -0.214 4.261 4.470 0.008 0.000 0.229 682 S C 1.667 176.201 174.600 -0.110 0.000 1.030 682 S CA 1.280 59.396 58.200 -0.140 0.000 1.002 682 S CB -1.136 61.937 63.200 -0.212 0.000 0.829 682 S HN 0.391 nan 8.310 nan 0.000 0.467 683 H N 1.189 120.236 119.070 -0.038 0.000 2.387 683 H HA -0.038 4.523 4.556 0.007 0.000 0.299 683 H C 2.237 177.492 175.328 -0.123 0.000 1.099 683 H CA 1.434 57.455 56.048 -0.046 0.000 1.315 683 H CB 0.084 29.827 29.762 -0.032 0.000 1.380 683 H HN 0.307 nan 8.280 nan 0.000 0.513 684 K N 0.254 120.663 120.400 0.014 0.000 2.025 684 K HA -0.105 4.219 4.320 0.008 0.000 0.207 684 K C 2.509 179.068 176.600 -0.069 0.000 1.049 684 K CA 1.504 57.758 56.287 -0.055 0.000 0.933 684 K CB -0.131 32.349 32.500 -0.033 0.000 0.714 684 K HN 0.321 nan 8.250 nan 0.000 0.438 685 S N 1.789 117.455 115.700 -0.057 0.000 2.382 685 S HA -0.175 4.299 4.470 0.008 0.000 0.228 685 S C 2.083 176.636 174.600 -0.078 0.000 1.027 685 S CA 1.235 59.397 58.200 -0.064 0.000 0.991 685 S CB -0.193 62.968 63.200 -0.064 0.000 0.823 685 S HN 0.251 nan 8.310 nan 0.000 0.469 686 K N 1.220 121.576 120.400 -0.073 0.000 2.057 686 K HA 0.008 4.332 4.320 0.008 0.000 0.207 686 K C 2.111 178.681 176.600 -0.050 0.000 1.049 686 K CA 1.552 57.788 56.287 -0.085 0.000 0.931 686 K CB -0.346 32.164 32.500 0.017 0.000 0.714 686 K HN 0.462 nan 8.250 nan 0.000 0.440 687 I N 0.678 121.206 120.570 -0.070 0.000 2.226 687 I HA -0.250 3.925 4.170 0.008 0.000 0.245 687 I C 2.200 178.297 176.117 -0.033 0.000 1.100 687 I CA 0.774 61.993 61.300 -0.135 0.000 1.374 687 I CB -0.114 37.580 38.000 -0.511 0.000 1.057 687 I HN -0.001 nan 8.210 nan 0.000 0.413 688 V N 0.695 120.574 119.914 -0.057 0.000 2.343 688 V HA -0.299 3.825 4.120 0.008 0.000 0.247 688 V C 2.482 178.577 176.094 0.002 0.000 1.051 688 V CA 2.012 64.298 62.300 -0.023 0.000 1.036 688 V CB -0.576 31.226 31.823 -0.036 0.000 0.654 688 V HN 0.474 nan 8.190 nan 0.000 0.451 689 E N -0.899 119.275 120.200 -0.043 0.000 2.077 689 E HA -0.239 4.116 4.350 0.008 0.000 0.193 689 E C 2.168 178.759 176.600 -0.015 0.000 0.989 689 E CA 1.626 57.979 56.400 -0.078 0.000 0.800 689 E CB -0.225 29.363 29.700 -0.188 0.000 0.746 689 E HN 0.751 nan 8.360 nan 0.000 0.452 690 Y N -0.241 120.095 120.300 0.060 0.000 2.181 690 Y HA -0.229 4.326 4.550 0.007 0.000 0.288 690 Y C 2.246 178.262 175.900 0.194 0.000 1.146 690 Y CA 0.276 58.448 58.100 0.121 0.000 1.164 690 Y CB 0.085 38.649 38.460 0.173 0.000 0.982 690 Y HN 0.149 nan 8.280 nan 0.000 0.515 691 L N 0.256 121.658 121.223 0.299 0.000 2.046 691 L HA -0.266 4.078 4.340 0.008 0.000 0.208 691 L C 2.129 179.135 176.870 0.226 0.000 1.077 691 L CA 1.810 56.792 54.840 0.237 0.000 0.747 691 L CB -1.093 41.033 42.059 0.111 0.000 0.896 691 L HN 0.305 nan 8.230 nan 0.000 0.432 692 Q N -1.376 118.508 119.800 0.139 0.000 2.364 692 Q HA -0.123 4.221 4.340 0.008 0.000 0.207 692 Q C 2.151 178.208 176.000 0.094 0.000 0.970 692 Q CA 1.223 57.081 55.803 0.091 0.000 0.888 692 Q CB -0.184 28.575 28.738 0.035 0.000 0.951 692 Q HN 0.644 nan 8.270 nan 0.000 0.469 693 S N -0.680 115.092 115.700 0.120 0.000 2.481 693 S HA -0.120 4.354 4.470 0.008 0.000 0.231 693 S C 1.156 175.730 174.600 -0.043 0.000 0.996 693 S CA 0.532 58.748 58.200 0.027 0.000 0.942 693 S CB -0.158 63.059 63.200 0.029 0.000 0.768 693 S HN 0.402 nan 8.310 nan 0.000 0.520 694 Y N 1.809 122.143 120.300 0.057 0.000 2.493 694 Y HA 0.277 4.831 4.550 0.007 0.000 0.275 694 Y C 0.418 176.334 175.900 0.027 0.000 1.183 694 Y CA -0.377 57.749 58.100 0.043 0.000 1.258 694 Y CB -0.092 38.395 38.460 0.046 0.000 1.108 694 Y HN 0.198 nan 8.280 nan 0.000 0.521 695 D N 0.664 121.143 120.400 0.132 0.000 2.981 695 D HA -0.208 4.436 4.640 0.008 0.000 0.223 695 D C -0.382 175.963 176.300 0.076 0.000 1.151 695 D CA 0.753 54.800 54.000 0.078 0.000 0.827 695 D CB -0.870 39.964 40.800 0.057 0.000 1.101 695 D HN 0.515 nan 8.370 nan 0.000 0.426 696 E N 0.079 120.337 120.200 0.097 0.000 2.266 696 E HA 0.311 4.665 4.350 0.008 0.000 0.277 696 E C 0.702 177.321 176.600 0.031 0.000 1.018 696 E CA -0.754 55.681 56.400 0.060 0.000 0.840 696 E CB 1.336 31.074 29.700 0.063 0.000 1.082 696 E HN 0.071 nan 8.360 nan 0.000 0.395 697 I N 3.441 124.014 120.570 0.006 0.000 2.379 697 I HA 0.030 4.205 4.170 0.008 0.000 0.290 697 I C 0.694 176.807 176.117 -0.006 0.000 1.063 697 I CA 0.201 61.494 61.300 -0.011 0.000 1.351 697 I CB -0.076 37.904 38.000 -0.034 0.000 1.410 697 I HN 0.470 nan 8.210 nan 0.000 0.505 698 T N 3.572 118.124 114.554 -0.003 0.000 2.823 698 T HA 0.839 5.194 4.350 0.008 0.000 0.279 698 T C -0.269 174.424 174.700 -0.012 0.000 0.998 698 T CA -0.732 61.368 62.100 -0.002 0.000 0.994 698 T CB 2.196 71.069 68.868 0.009 0.000 0.960 698 T HN 0.639 nan 8.240 nan 0.000 0.448 699 A N 3.191 126.003 122.820 -0.013 0.000 2.330 699 A HA 0.892 5.217 4.320 0.008 0.000 0.329 699 A C -0.521 177.055 177.584 -0.013 0.000 1.135 699 A CA -1.107 50.917 52.037 -0.022 0.000 0.817 699 A CB 1.569 20.548 19.000 -0.035 0.000 1.269 699 A HN 0.996 nan 8.150 nan 0.000 0.469 700 M N 1.083 120.672 119.600 -0.018 0.000 2.267 700 M HA 0.551 5.035 4.480 0.008 0.000 0.289 700 M C -1.197 175.097 176.300 -0.010 0.000 1.043 700 M CA 0.126 55.421 55.300 -0.007 0.000 0.928 700 M CB 2.048 34.640 32.600 -0.013 0.000 1.613 700 M HN 0.556 nan 8.290 nan 0.000 0.450 701 T N 3.185 117.748 114.554 0.014 0.000 2.807 701 T HA 0.962 5.317 4.350 0.008 0.000 0.279 701 T C -0.198 174.525 174.700 0.039 0.000 0.993 701 T CA -0.559 61.551 62.100 0.017 0.000 0.970 701 T CB 1.513 70.410 68.868 0.048 0.000 0.950 701 T HN 0.939 nan 8.240 nan 0.000 0.441 702 G N 0.964 109.778 108.800 0.023 0.000 2.550 702 G HA2 0.553 4.517 3.960 0.008 0.000 0.293 702 G HA3 0.553 4.517 3.960 0.008 0.000 0.293 702 G C -0.956 173.955 174.900 0.017 0.000 1.402 702 G CA -0.673 44.442 45.100 0.024 0.000 0.784 702 G HN 0.580 nan 8.290 nan 0.000 0.482 703 D N -1.603 118.806 120.400 0.016 0.000 2.453 703 D HA 0.197 4.841 4.640 0.008 0.000 0.256 703 D C 0.992 177.300 176.300 0.013 0.000 1.152 703 D CA 0.699 54.709 54.000 0.016 0.000 0.818 703 D CB 0.326 41.140 40.800 0.023 0.000 1.259 703 D HN 0.795 nan 8.370 nan 0.000 0.531 704 G N 0.983 109.784 108.800 0.002 0.000 2.462 704 G HA2 0.408 4.373 3.960 0.008 0.000 0.319 704 G HA3 0.408 4.373 3.960 0.008 0.000 0.319 704 G C 1.104 175.986 174.900 -0.030 0.000 1.171 704 G CA -0.098 44.995 45.100 -0.012 0.000 0.920 704 G HN 0.197 nan 8.290 nan 0.000 0.499 705 V N -0.068 119.806 119.914 -0.067 0.000 2.913 705 V HA -0.097 4.027 4.120 0.008 0.000 0.260 705 V C 1.922 177.960 176.094 -0.093 0.000 1.098 705 V CA 1.863 64.106 62.300 -0.096 0.000 1.121 705 V CB -0.670 31.020 31.823 -0.222 0.000 0.714 705 V HN 0.732 nan 8.190 nan 0.000 0.487 706 N N -0.068 118.579 118.700 -0.087 0.000 2.571 706 N HA -0.123 4.622 4.740 0.008 0.000 0.189 706 N C 1.002 176.482 175.510 -0.050 0.000 1.154 706 N CA 1.351 54.356 53.050 -0.076 0.000 0.907 706 N CB -0.388 38.056 38.487 -0.071 0.000 0.977 706 N HN 0.589 nan 8.380 nan 0.000 0.449 707 D N 0.389 120.766 120.400 -0.039 0.000 2.392 707 D HA 0.194 4.839 4.640 0.008 0.000 0.206 707 D C 1.753 178.036 176.300 -0.029 0.000 1.046 707 D CA 0.323 54.307 54.000 -0.027 0.000 0.865 707 D CB 0.269 41.061 40.800 -0.014 0.000 0.969 707 D HN 0.300 nan 8.370 nan 0.000 0.509 708 A N 2.317 125.117 122.820 -0.033 0.000 1.903 708 A HA -0.180 4.144 4.320 0.008 0.000 0.219 708 A C -0.241 177.324 177.584 -0.032 0.000 1.191 708 A CA 1.652 53.672 52.037 -0.028 0.000 0.638 708 A CB -1.559 17.424 19.000 -0.028 0.000 0.823 708 A HN 0.175 nan 8.150 nan 0.000 0.451 709 P HA -0.122 nan 4.420 nan 0.000 0.215 709 P C 1.779 179.055 177.300 -0.040 0.000 1.157 709 P CA 2.051 65.126 63.100 -0.042 0.000 0.868 709 P CB -0.152 31.518 31.700 -0.051 0.000 0.788 710 A N -0.929 121.868 122.820 -0.039 0.000 1.969 710 A HA -0.131 4.193 4.320 0.008 0.000 0.218 710 A C 2.162 179.728 177.584 -0.030 0.000 1.169 710 A CA 1.293 53.308 52.037 -0.037 0.000 0.635 710 A CB -1.646 17.334 19.000 -0.035 0.000 0.810 710 A HN 0.111 nan 8.150 nan 0.000 0.445 711 L N -1.272 119.935 121.223 -0.027 0.000 2.141 711 L HA -0.136 4.208 4.340 0.008 0.000 0.209 711 L C 2.520 179.374 176.870 -0.027 0.000 1.094 711 L CA 1.478 56.303 54.840 -0.025 0.000 0.763 711 L CB -0.240 41.806 42.059 -0.021 0.000 0.908 711 L HN 0.246 nan 8.230 nan 0.000 0.437 712 K N 0.558 120.941 120.400 -0.028 0.000 2.021 712 K HA -0.155 4.170 4.320 0.008 0.000 0.205 712 K C 2.086 178.668 176.600 -0.030 0.000 1.047 712 K CA 1.213 57.483 56.287 -0.028 0.000 0.943 712 K CB -0.019 32.464 32.500 -0.028 0.000 0.725 712 K HN -0.116 nan 8.250 nan 0.000 0.439 713 K N 0.524 120.904 120.400 -0.034 0.000 2.063 713 K HA 0.020 4.344 4.320 0.008 0.000 0.208 713 K C 0.107 176.689 176.600 -0.031 0.000 1.048 713 K CA 1.087 57.352 56.287 -0.036 0.000 0.928 713 K CB -0.495 31.979 32.500 -0.043 0.000 0.713 713 K HN 0.216 nan 8.250 nan 0.000 0.442 714 A N 0.855 123.658 122.820 -0.028 0.000 2.466 714 A HA 0.022 4.347 4.320 0.008 0.000 0.238 714 A C 0.774 178.343 177.584 -0.025 0.000 1.074 714 A CA -0.004 52.018 52.037 -0.024 0.000 0.774 714 A CB 0.180 19.166 19.000 -0.023 0.000 1.015 714 A HN 0.434 nan 8.150 nan 0.000 0.498 715 E N 0.222 120.407 120.200 -0.024 0.000 2.077 715 E HA -0.097 4.258 4.350 0.008 0.000 0.193 715 E C -0.312 176.269 176.600 -0.031 0.000 0.989 715 E CA 1.447 57.831 56.400 -0.028 0.000 0.800 715 E CB -0.166 29.516 29.700 -0.029 0.000 0.746 715 E HN 0.633 nan 8.360 nan 0.000 0.452 716 I N 0.129 120.679 120.570 -0.033 0.000 2.420 716 I HA 0.324 4.498 4.170 0.008 0.000 0.282 716 I C 0.130 176.224 176.117 -0.037 0.000 1.019 716 I CA -0.542 60.735 61.300 -0.037 0.000 1.130 716 I CB 2.000 39.974 38.000 -0.044 0.000 1.262 716 I HN -0.131 nan 8.210 nan 0.000 0.454 717 G N 7.051 115.830 108.800 -0.035 0.000 2.325 717 G HA2 0.714 4.678 3.960 0.008 0.000 0.298 717 G HA3 0.714 4.678 3.960 0.008 0.000 0.298 717 G C -0.451 174.425 174.900 -0.039 0.000 1.134 717 G CA -0.319 44.761 45.100 -0.033 0.000 0.876 717 G HN 0.516 nan 8.290 nan 0.000 0.452 718 I N 2.201 122.745 120.570 -0.044 0.000 2.410 718 I HA 0.454 4.629 4.170 0.008 0.000 0.286 718 I C 0.427 176.519 176.117 -0.041 0.000 1.009 718 I CA -0.687 60.579 61.300 -0.056 0.000 1.111 718 I CB 1.881 39.826 38.000 -0.093 0.000 1.262 718 I HN 0.538 nan 8.210 nan 0.000 0.443 719 A N 7.545 130.346 122.820 -0.032 0.000 2.306 719 A HA 0.811 5.135 4.320 0.008 0.000 0.330 719 A C -0.087 177.488 177.584 -0.015 0.000 1.146 719 A CA -0.704 51.323 52.037 -0.017 0.000 0.827 719 A CB 0.999 19.992 19.000 -0.011 0.000 1.178 719 A HN 0.593 nan 8.150 nan 0.000 0.490 720 M N 1.790 121.390 119.600 -0.000 0.000 2.233 720 M HA 0.160 4.644 4.480 0.008 0.000 0.350 720 M C 1.613 177.914 176.300 0.003 0.000 1.176 720 M CA 0.130 55.433 55.300 0.006 0.000 1.150 720 M CB 0.418 33.032 32.600 0.022 0.000 1.530 720 M HN 0.926 nan 8.290 nan 0.000 0.459 721 G N 1.364 110.164 108.800 0.001 0.000 2.442 721 G HA2 -0.173 3.792 3.960 0.008 0.000 0.219 721 G HA3 -0.173 3.792 3.960 0.008 0.000 0.219 721 G C 1.152 176.054 174.900 0.003 0.000 1.141 721 G CA 1.181 46.281 45.100 -0.001 0.000 0.763 721 G HN 0.750 nan 8.290 nan 0.000 0.554 722 S N -0.020 115.685 115.700 0.009 0.000 2.614 722 S HA 0.511 4.986 4.470 0.008 0.000 0.230 722 S C 1.087 175.697 174.600 0.017 0.000 0.952 722 S CA 0.133 58.339 58.200 0.011 0.000 0.949 722 S CB 0.453 63.661 63.200 0.013 0.000 0.786 722 S HN 0.466 nan 8.310 nan 0.000 0.478 723 G N 1.571 110.381 108.800 0.018 0.000 2.532 723 G HA2 0.495 4.459 3.960 0.008 0.000 0.291 723 G HA3 0.495 4.459 3.960 0.008 0.000 0.291 723 G C 0.092 175.011 174.900 0.031 0.000 1.349 723 G CA -0.204 44.911 45.100 0.025 0.000 1.038 723 G HN 0.479 nan 8.290 nan 0.000 0.518 724 T N -2.741 111.839 114.554 0.044 0.000 2.856 724 T HA 0.394 4.749 4.350 0.008 0.000 0.306 724 T C 1.608 176.339 174.700 0.052 0.000 1.062 724 T CA 0.464 62.604 62.100 0.067 0.000 1.083 724 T CB 1.288 70.216 68.868 0.100 0.000 0.984 724 T HN 0.883 nan 8.240 nan 0.000 0.542 725 A N 1.729 124.584 122.820 0.059 0.000 1.930 725 A HA 0.063 4.387 4.320 0.008 0.000 0.217 725 A C 2.427 180.037 177.584 0.044 0.000 1.175 725 A CA 1.339 53.398 52.037 0.036 0.000 0.627 725 A CB -1.106 17.907 19.000 0.022 0.000 0.815 725 A HN 0.757 nan 8.150 nan 0.000 0.443 726 V N 0.061 120.023 119.914 0.080 0.000 2.287 726 V HA -0.304 3.820 4.120 0.008 0.000 0.248 726 V C 3.073 179.185 176.094 0.030 0.000 1.053 726 V CA 2.106 64.446 62.300 0.067 0.000 1.027 726 V CB -1.329 30.552 31.823 0.097 0.000 0.646 726 V HN 0.618 nan 8.190 nan 0.000 0.447 727 A N -0.350 122.485 122.820 0.025 0.000 1.883 727 A HA -0.263 4.062 4.320 0.008 0.000 0.217 727 A C 2.291 179.876 177.584 0.002 0.000 1.186 727 A CA 2.172 54.213 52.037 0.008 0.000 0.624 727 A CB -0.478 18.527 19.000 0.008 0.000 0.822 727 A HN 0.560 nan 8.150 nan 0.000 0.444 728 K N -0.642 119.762 120.400 0.005 0.000 2.009 728 K HA -0.139 4.186 4.320 0.008 0.000 0.210 728 K C 2.169 178.764 176.600 -0.009 0.000 1.049 728 K CA 1.948 58.232 56.287 -0.004 0.000 0.929 728 K CB -0.562 31.937 32.500 -0.003 0.000 0.714 728 K HN 0.707 nan 8.250 nan 0.000 0.440 729 T N -1.374 113.177 114.554 -0.004 0.000 3.098 729 T HA 0.016 4.370 4.350 0.008 0.000 0.266 729 T C 1.538 176.230 174.700 -0.013 0.000 1.145 729 T CA 0.920 63.014 62.100 -0.010 0.000 1.092 729 T CB 0.003 68.868 68.868 -0.005 0.000 0.908 729 T HN 0.168 nan 8.240 nan 0.000 0.526 730 A N 0.320 123.133 122.820 -0.010 0.000 2.387 730 A HA 0.610 4.934 4.320 0.008 0.000 0.234 730 A C 1.057 178.629 177.584 -0.020 0.000 1.253 730 A CA -0.543 51.485 52.037 -0.015 0.000 0.894 730 A CB 0.264 19.257 19.000 -0.012 0.000 0.963 730 A HN 0.439 nan 8.150 nan 0.000 0.508 731 S N -0.740 114.947 115.700 -0.021 0.000 2.664 731 S HA 0.424 4.898 4.470 0.008 0.000 0.304 731 S C 0.384 174.967 174.600 -0.029 0.000 1.099 731 S CA -0.446 57.739 58.200 -0.025 0.000 1.003 731 S CB 1.536 64.721 63.200 -0.025 0.000 1.092 731 S HN 0.295 nan 8.310 nan 0.000 0.525 732 E N 0.377 120.558 120.200 -0.032 0.000 2.216 732 E HA 0.273 4.628 4.350 0.008 0.000 0.192 732 E C -0.036 176.544 176.600 -0.033 0.000 0.973 732 E CA 0.920 57.300 56.400 -0.032 0.000 0.851 732 E CB 0.195 29.875 29.700 -0.033 0.000 0.804 732 E HN 0.470 nan 8.360 nan 0.000 0.477 733 M N -0.602 118.976 119.600 -0.037 0.000 2.631 733 M HA 0.462 4.947 4.480 0.008 0.000 0.288 733 M C -1.430 174.846 176.300 -0.039 0.000 1.260 733 M CA -0.986 54.290 55.300 -0.039 0.000 0.842 733 M CB 3.108 35.680 32.600 -0.047 0.000 1.743 733 M HN -0.375 nan 8.290 nan 0.000 0.461 734 V N 2.374 122.267 119.914 -0.037 0.000 2.686 734 V HA 0.410 4.534 4.120 0.008 0.000 0.306 734 V C -0.708 175.364 176.094 -0.036 0.000 1.065 734 V CA -0.701 61.580 62.300 -0.033 0.000 0.894 734 V CB 2.127 33.936 31.823 -0.023 0.000 1.004 734 V HN 0.672 nan 8.190 nan 0.000 0.424 735 L N 4.113 125.313 121.223 -0.039 0.000 2.375 735 L HA 0.328 4.672 4.340 0.008 0.000 0.276 735 L C 1.776 178.634 176.870 -0.020 0.000 1.162 735 L CA -0.219 54.597 54.840 -0.039 0.000 0.991 735 L CB 0.644 42.672 42.059 -0.052 0.000 1.315 735 L HN 0.884 nan 8.230 nan 0.000 0.431 736 A N 2.159 124.969 122.820 -0.017 0.000 2.093 736 A HA -0.217 4.107 4.320 0.008 0.000 0.222 736 A C 1.463 179.045 177.584 -0.003 0.000 1.162 736 A CA 2.030 54.062 52.037 -0.009 0.000 0.655 736 A CB -0.359 18.636 19.000 -0.008 0.000 0.805 736 A HN 0.848 nan 8.150 nan 0.000 0.461 737 D N -2.660 117.739 120.400 -0.001 0.000 2.501 737 D HA 0.110 4.754 4.640 0.008 0.000 0.224 737 D C -0.284 176.025 176.300 0.015 0.000 1.202 737 D CA 0.302 54.306 54.000 0.007 0.000 0.829 737 D CB -0.441 40.364 40.800 0.008 0.000 1.023 737 D HN 0.233 nan 8.370 nan 0.000 0.499 738 D N 0.287 120.695 120.400 0.014 0.000 3.044 738 D HA -0.219 4.426 4.640 0.008 0.000 0.223 738 D C -0.189 176.143 176.300 0.053 0.000 1.191 738 D CA 0.743 54.761 54.000 0.030 0.000 0.881 738 D CB -1.293 39.526 40.800 0.031 0.000 1.115 738 D HN 0.438 nan 8.370 nan 0.000 0.408 739 N N -0.256 118.468 118.700 0.041 0.000 2.419 739 N HA 0.086 4.830 4.740 0.008 0.000 0.264 739 N C 0.662 176.218 175.510 0.077 0.000 1.031 739 N CA -0.272 52.818 53.050 0.066 0.000 0.951 739 N CB 0.419 38.930 38.487 0.041 0.000 1.101 739 N HN -0.110 nan 8.380 nan 0.000 0.488 740 F N 2.529 122.471 119.950 -0.013 0.000 2.293 740 F HA -0.094 4.437 4.527 0.008 0.000 0.300 740 F C 2.278 178.071 175.800 -0.013 0.000 1.086 740 F CA 1.021 59.012 58.000 -0.015 0.000 1.375 740 F CB 0.214 39.202 39.000 -0.020 0.000 1.045 740 F HN 0.501 nan 8.300 nan 0.000 0.516 741 S N -0.949 114.826 115.700 0.125 0.000 2.442 741 S HA -0.179 4.296 4.470 0.008 0.000 0.236 741 S C 1.958 176.551 174.600 -0.013 0.000 1.007 741 S CA 1.580 59.816 58.200 0.060 0.000 0.965 741 S CB -0.522 62.712 63.200 0.055 0.000 0.773 741 S HN 0.408 nan 8.310 nan 0.000 0.504 742 T N 2.712 117.240 114.554 -0.042 0.000 2.833 742 T HA 0.003 4.357 4.350 0.008 0.000 0.269 742 T C 1.675 176.311 174.700 -0.108 0.000 1.054 742 T CA 0.746 62.809 62.100 -0.062 0.000 1.135 742 T CB -0.222 68.610 68.868 -0.060 0.000 0.869 742 T HN 0.273 nan 8.240 nan 0.000 0.466 743 I N 1.239 121.688 120.570 -0.201 0.000 2.142 743 I HA -0.121 4.053 4.170 0.008 0.000 0.240 743 I C 2.580 178.616 176.117 -0.136 0.000 1.078 743 I CA 1.093 62.247 61.300 -0.243 0.000 1.343 743 I CB -1.585 36.123 38.000 -0.488 0.000 1.046 743 I HN 0.129 nan 8.210 nan 0.000 0.405 744 V N 1.611 121.469 119.914 -0.093 0.000 2.287 744 V HA -0.289 3.836 4.120 0.008 0.000 0.248 744 V C 2.859 178.937 176.094 -0.027 0.000 1.053 744 V CA 2.003 64.282 62.300 -0.034 0.000 1.027 744 V CB -1.324 30.503 31.823 0.006 0.000 0.646 744 V HN 0.489 nan 8.190 nan 0.000 0.447 745 A N -0.221 122.583 122.820 -0.026 0.000 1.972 745 A HA -0.058 4.267 4.320 0.008 0.000 0.219 745 A C 2.366 179.938 177.584 -0.020 0.000 1.169 745 A CA 1.984 54.011 52.037 -0.016 0.000 0.635 745 A CB -0.622 18.371 19.000 -0.012 0.000 0.810 745 A HN 0.593 nan 8.150 nan 0.000 0.446 746 A N -0.726 122.071 122.820 -0.038 0.000 1.968 746 A HA 0.115 4.440 4.320 0.008 0.000 0.217 746 A C 2.167 179.733 177.584 -0.029 0.000 1.169 746 A CA 1.451 53.467 52.037 -0.036 0.000 0.638 746 A CB -0.662 18.305 19.000 -0.056 0.000 0.812 746 A HN 0.325 nan 8.150 nan 0.000 0.446 747 V N 0.144 120.036 119.914 -0.035 0.000 2.358 747 V HA -0.261 3.863 4.120 0.008 0.000 0.246 747 V C 2.518 178.608 176.094 -0.008 0.000 1.047 747 V CA 2.276 64.561 62.300 -0.026 0.000 1.035 747 V CB -0.652 31.154 31.823 -0.028 0.000 0.658 747 V HN 0.798 nan 8.190 nan 0.000 0.452 748 E N 0.183 120.381 120.200 -0.003 0.000 2.077 748 E HA -0.312 4.043 4.350 0.008 0.000 0.193 748 E C 2.169 178.779 176.600 0.016 0.000 0.989 748 E CA 1.723 58.128 56.400 0.008 0.000 0.800 748 E CB -0.060 29.645 29.700 0.009 0.000 0.746 748 E HN 0.612 nan 8.360 nan 0.000 0.452 749 E N -0.208 119.999 120.200 0.012 0.000 2.077 749 E HA -0.113 4.241 4.350 0.008 0.000 0.193 749 E C 1.875 178.492 176.600 0.029 0.000 0.989 749 E CA 1.576 57.989 56.400 0.021 0.000 0.800 749 E CB -0.675 29.033 29.700 0.013 0.000 0.746 749 E HN 0.377 nan 8.360 nan 0.000 0.452 750 G N 0.256 109.067 108.800 0.019 0.000 2.440 750 G HA2 -0.300 3.665 3.960 0.008 0.000 0.218 750 G HA3 -0.300 3.665 3.960 0.008 0.000 0.218 750 G C 1.635 176.567 174.900 0.053 0.000 1.154 750 G CA 0.895 46.010 45.100 0.025 0.000 0.767 750 G HN 0.192 nan 8.290 nan 0.000 0.552 751 R N 0.434 120.961 120.500 0.045 0.000 2.066 751 R HA 0.070 4.414 4.340 0.008 0.000 0.232 751 R C 3.080 179.433 176.300 0.088 0.000 1.131 751 R CA 1.099 57.243 56.100 0.073 0.000 0.955 751 R CB -0.419 29.909 30.300 0.046 0.000 0.851 751 R HN 0.343 nan 8.270 nan 0.000 0.432 752 A N 1.680 124.534 122.820 0.056 0.000 1.865 752 A HA -0.168 4.156 4.320 0.008 0.000 0.217 752 A C 2.109 179.717 177.584 0.040 0.000 1.191 752 A CA 1.312 53.374 52.037 0.043 0.000 0.623 752 A CB -0.488 18.535 19.000 0.039 0.000 0.826 752 A HN 0.111 nan 8.150 nan 0.000 0.444 753 I N -1.536 119.068 120.570 0.057 0.000 2.208 753 I HA -0.245 3.930 4.170 0.008 0.000 0.245 753 I C 2.419 178.559 176.117 0.039 0.000 1.097 753 I CA 1.722 63.056 61.300 0.055 0.000 1.363 753 I CB -1.490 36.553 38.000 0.073 0.000 1.051 753 I HN 0.568 nan 8.210 nan 0.000 0.413 754 Y N 2.494 122.764 120.300 -0.050 0.000 2.242 754 Y HA -0.173 4.381 4.550 0.008 0.000 0.291 754 Y C 2.376 178.209 175.900 -0.113 0.000 1.137 754 Y CA 1.426 59.476 58.100 -0.082 0.000 1.181 754 Y CB -0.348 38.077 38.460 -0.057 0.000 0.989 754 Y HN 0.200 nan 8.280 nan 0.000 0.527 755 N N 0.602 119.207 118.700 -0.158 0.000 2.166 755 N HA -0.175 4.569 4.740 0.008 0.000 0.186 755 N C 1.296 176.638 175.510 -0.280 0.000 1.019 755 N CA 1.459 54.374 53.050 -0.225 0.000 0.856 755 N CB -0.463 37.978 38.487 -0.076 0.000 0.993 755 N HN 0.419 nan 8.380 nan 0.000 0.426 756 N N 0.698 119.266 118.700 -0.220 0.000 2.135 756 N HA 0.025 4.770 4.740 0.008 0.000 0.186 756 N C 1.799 177.000 175.510 -0.515 0.000 1.027 756 N CA 0.759 53.675 53.050 -0.223 0.000 0.849 756 N CB -0.268 38.168 38.487 -0.084 0.000 1.002 756 N HN 0.272 nan 8.380 nan 0.000 0.425 757 M N 0.635 119.842 119.600 -0.656 0.000 2.108 757 M HA -0.152 4.332 4.480 0.008 0.000 0.261 757 M C 2.033 177.611 176.300 -1.205 0.000 1.066 757 M CA 1.358 55.872 55.300 -1.310 0.000 1.107 757 M CB -0.223 32.022 32.600 -0.592 0.000 1.356 757 M HN 0.073 nan 8.290 nan 0.000 0.406 758 K N -0.109 119.796 120.400 -0.824 0.000 2.103 758 K HA -0.208 4.117 4.320 0.008 0.000 0.207 758 K C 2.180 178.527 176.600 -0.422 0.000 1.048 758 K CA 1.315 57.228 56.287 -0.623 0.000 0.930 758 K CB 0.125 32.257 32.500 -0.614 0.000 0.716 758 K HN 0.302 nan 8.250 nan 0.000 0.444 759 Q N -0.099 119.463 119.800 -0.398 0.000 1.965 759 Q HA -0.152 4.192 4.340 0.008 0.000 0.200 759 Q C 2.090 178.033 176.000 -0.095 0.000 0.981 759 Q CA 1.625 57.315 55.803 -0.190 0.000 0.834 759 Q CB -0.605 28.052 28.738 -0.135 0.000 0.900 759 Q HN 0.493 nan 8.270 nan 0.000 0.426 760 F N -0.446 119.465 119.950 -0.065 0.000 2.408 760 F HA 0.013 4.544 4.527 0.007 0.000 0.300 760 F C 1.868 177.669 175.800 0.002 0.000 1.090 760 F CA 0.318 58.318 58.000 -0.001 0.000 1.427 760 F CB -0.828 38.133 39.000 -0.064 0.000 1.070 760 F HN -0.059 nan 8.300 nan 0.000 0.549 761 I N 0.472 120.995 120.570 -0.078 0.000 2.233 761 I HA -0.173 4.002 4.170 0.008 0.000 0.243 761 I C 2.654 178.706 176.117 -0.109 0.000 1.093 761 I CA 1.026 62.292 61.300 -0.056 0.000 1.380 761 I CB -0.361 37.495 38.000 -0.241 0.000 1.067 761 I HN 0.053 nan 8.210 nan 0.000 0.413 762 R N -0.309 120.122 120.500 -0.116 0.000 2.081 762 R HA -0.230 4.114 4.340 0.008 0.000 0.235 762 R C 2.336 178.500 176.300 -0.228 0.000 1.131 762 R CA 1.797 57.805 56.100 -0.153 0.000 0.960 762 R CB -0.620 29.725 30.300 0.075 0.000 0.856 762 R HN 0.309 nan 8.270 nan 0.000 0.436 763 Y N 1.699 121.910 120.300 -0.148 0.000 2.036 763 Y HA -0.251 4.303 4.550 0.007 0.000 0.273 763 Y C 1.951 177.764 175.900 -0.146 0.000 1.135 763 Y CA 1.644 59.674 58.100 -0.117 0.000 1.106 763 Y CB -0.667 37.786 38.460 -0.012 0.000 0.976 763 Y HN -0.074 nan 8.280 nan 0.000 0.483 764 L N -0.196 120.888 121.223 -0.232 0.000 2.081 764 L HA -0.255 4.089 4.340 0.008 0.000 0.212 764 L C 2.631 179.328 176.870 -0.288 0.000 1.080 764 L CA 1.742 56.386 54.840 -0.327 0.000 0.754 764 L CB -0.560 41.438 42.059 -0.101 0.000 0.893 764 L HN 0.384 nan 8.230 nan 0.000 0.433 765 I N -1.322 119.084 120.570 -0.274 0.000 2.617 765 I HA -0.240 3.934 4.170 0.008 0.000 0.256 765 I C 2.697 178.623 176.117 -0.319 0.000 1.167 765 I CA 0.723 61.852 61.300 -0.285 0.000 1.469 765 I CB 0.186 37.945 38.000 -0.401 0.000 1.098 765 I HN 0.169 nan 8.210 nan 0.000 0.436 766 S N -0.541 114.878 115.700 -0.469 0.000 2.368 766 S HA -0.208 4.267 4.470 0.008 0.000 0.224 766 S C 2.270 176.676 174.600 -0.323 0.000 1.029 766 S CA 1.860 59.736 58.200 -0.541 0.000 0.988 766 S CB -0.316 62.401 63.200 -0.805 0.000 0.838 766 S HN 0.575 nan 8.310 nan 0.000 0.462 767 S N 1.565 117.063 115.700 -0.337 0.000 2.353 767 S HA -0.165 4.309 4.470 0.008 0.000 0.222 767 S C 1.658 176.160 174.600 -0.163 0.000 1.035 767 S CA 2.019 60.063 58.200 -0.261 0.000 1.025 767 S CB -0.965 62.024 63.200 -0.352 0.000 0.902 767 S HN 0.710 nan 8.310 nan 0.000 0.440 768 N N 0.469 119.082 118.700 -0.144 0.000 2.258 768 N HA -0.075 4.670 4.740 0.008 0.000 0.187 768 N C 1.534 177.013 175.510 -0.051 0.000 1.012 768 N CA 1.299 54.309 53.050 -0.066 0.000 0.870 768 N CB -0.309 38.172 38.487 -0.009 0.000 0.977 768 N HN 0.300 nan 8.380 nan 0.000 0.434 769 V N -0.095 119.769 119.914 -0.084 0.000 2.270 769 V HA -0.106 4.019 4.120 0.008 0.000 0.245 769 V C 2.415 178.476 176.094 -0.056 0.000 1.043 769 V CA 2.065 64.321 62.300 -0.073 0.000 1.014 769 V CB -1.242 30.510 31.823 -0.117 0.000 0.645 769 V HN 0.402 nan 8.190 nan 0.000 0.447 770 G N -0.239 108.522 108.800 -0.065 0.000 2.442 770 G HA2 -0.227 3.738 3.960 0.008 0.000 0.219 770 G HA3 -0.227 3.738 3.960 0.008 0.000 0.219 770 G C 1.427 176.313 174.900 -0.023 0.000 1.141 770 G CA 0.912 45.988 45.100 -0.040 0.000 0.763 770 G HN 0.609 nan 8.290 nan 0.000 0.554 771 E N 0.116 120.299 120.200 -0.028 0.000 2.077 771 E HA -0.089 4.265 4.350 0.008 0.000 0.193 771 E C 2.701 179.309 176.600 0.013 0.000 0.989 771 E CA 0.998 57.393 56.400 -0.008 0.000 0.800 771 E CB -0.207 29.487 29.700 -0.010 0.000 0.746 771 E HN 0.333 nan 8.360 nan 0.000 0.452 772 V N 1.396 121.314 119.914 0.007 0.000 2.343 772 V HA -0.225 3.900 4.120 0.008 0.000 0.247 772 V C 2.436 178.571 176.094 0.068 0.000 1.051 772 V CA 1.305 63.618 62.300 0.022 0.000 1.036 772 V CB -0.399 31.417 31.823 -0.012 0.000 0.654 772 V HN 0.116 nan 8.190 nan 0.000 0.451 773 V N -0.635 119.313 119.914 0.056 0.000 2.332 773 V HA -0.338 3.787 4.120 0.008 0.000 0.248 773 V C 2.595 178.763 176.094 0.124 0.000 1.055 773 V CA 2.261 64.626 62.300 0.107 0.000 1.038 773 V CB -0.891 30.968 31.823 0.060 0.000 0.651 773 V HN 0.795 nan 8.190 nan 0.000 0.450 774 C N 0.404 119.743 119.300 0.066 0.000 2.413 774 C HA -0.163 4.301 4.460 0.008 0.000 0.277 774 C C 2.592 177.622 174.990 0.066 0.000 1.228 774 C CA 1.009 60.055 59.018 0.047 0.000 1.731 774 C CB -1.041 26.711 27.740 0.019 0.000 2.042 774 C HN 0.528 nan 8.230 nan 0.000 0.468 775 I N 0.375 120.992 120.570 0.078 0.000 2.454 775 I HA -0.090 4.084 4.170 0.008 0.000 0.254 775 I C 2.253 178.447 176.117 0.129 0.000 1.156 775 I CA 1.654 63.002 61.300 0.081 0.000 1.433 775 I CB -1.613 36.428 38.000 0.067 0.000 1.082 775 I HN 0.394 nan 8.210 nan 0.000 0.432 776 F N 1.134 121.085 119.950 0.002 0.000 2.335 776 F HA 0.009 4.540 4.527 0.007 0.000 0.296 776 F C 2.264 178.078 175.800 0.025 0.000 1.091 776 F CA 0.909 58.914 58.000 0.010 0.000 1.399 776 F CB -0.198 38.809 39.000 0.011 0.000 1.067 776 F HN -0.135 nan 8.300 nan 0.000 0.520 777 L N -0.044 121.170 121.223 -0.014 0.000 1.961 777 L HA -0.261 4.084 4.340 0.008 0.000 0.210 777 L C 2.711 179.519 176.870 -0.104 0.000 1.072 777 L CA 2.212 56.997 54.840 -0.091 0.000 0.749 777 L CB -1.203 40.861 42.059 0.009 0.000 0.889 777 L HN 0.287 nan 8.230 nan 0.000 0.432 778 T N -2.481 112.056 114.554 -0.028 0.000 2.803 778 T HA -0.197 4.158 4.350 0.008 0.000 0.269 778 T C 1.806 176.504 174.700 -0.002 0.000 1.052 778 T CA 1.099 63.201 62.100 0.004 0.000 1.136 778 T CB -0.445 68.444 68.868 0.035 0.000 0.864 778 T HN 0.358 nan 8.240 nan 0.000 0.467 779 A N 1.633 124.423 122.820 -0.051 0.000 1.898 779 A HA 0.461 4.786 4.320 0.008 0.000 0.216 779 A C 2.662 180.179 177.584 -0.111 0.000 1.181 779 A CA 1.616 53.627 52.037 -0.044 0.000 0.620 779 A CB -1.091 17.865 19.000 -0.073 0.000 0.819 779 A HN 0.815 nan 8.150 nan 0.000 0.442 780 A N -1.942 120.706 122.820 -0.288 0.000 2.220 780 A HA 0.418 4.743 4.320 0.008 0.000 0.211 780 A C 1.599 179.095 177.584 -0.145 0.000 1.176 780 A CA 0.523 52.399 52.037 -0.269 0.000 0.834 780 A CB -0.137 18.558 19.000 -0.508 0.000 0.868 780 A HN 0.386 nan 8.150 nan 0.000 0.488 781 L N -1.145 120.017 121.223 -0.102 0.000 2.592 781 L HA 0.307 4.652 4.340 0.008 0.000 0.227 781 L C 1.688 178.539 176.870 -0.032 0.000 1.127 781 L CA 1.192 56.021 54.840 -0.018 0.000 0.884 781 L CB -0.117 41.961 42.059 0.031 0.000 1.065 781 L HN 0.553 nan 8.230 nan 0.000 0.457 782 G N -0.521 108.255 108.800 -0.039 0.000 2.220 782 G HA2 -0.318 3.647 3.960 0.008 0.000 0.269 782 G HA3 -0.318 3.647 3.960 0.008 0.000 0.269 782 G C 0.632 175.566 174.900 0.056 0.000 0.977 782 G CA 0.680 45.754 45.100 -0.044 0.000 0.634 782 G HN 0.319 nan 8.290 nan 0.000 0.539 783 L N 2.290 123.529 121.223 0.026 0.000 2.482 783 L HA 0.276 4.621 4.340 0.008 0.000 0.273 783 L C -0.709 176.157 176.870 -0.007 0.000 1.228 783 L CA -1.346 53.499 54.840 0.008 0.000 0.827 783 L CB 0.020 42.097 42.059 0.030 0.000 1.099 783 L HN 0.093 nan 8.230 nan 0.000 0.494 784 P HA 0.062 nan 4.420 nan 0.000 0.277 784 P C -1.074 176.147 177.300 -0.131 0.000 1.271 784 P CA -0.618 62.105 63.100 -0.628 0.000 0.795 784 P CB 0.379 31.420 31.700 -1.098 0.000 1.101 785 E N -0.041 120.129 120.200 -0.050 0.000 2.603 785 E HA 0.072 4.427 4.350 0.008 0.000 0.242 785 E C 1.037 177.642 176.600 0.009 0.000 1.083 785 E CA -0.088 56.329 56.400 0.029 0.000 0.950 785 E CB -0.063 29.673 29.700 0.060 0.000 0.952 785 E HN 0.372 nan 8.360 nan 0.000 0.498 786 A N 4.768 127.597 122.820 0.015 0.000 2.021 786 A HA 0.095 4.420 4.320 0.008 0.000 0.216 786 A C 0.633 178.215 177.584 -0.003 0.000 1.163 786 A CA 0.583 52.621 52.037 0.001 0.000 0.676 786 A CB 0.373 19.380 19.000 0.011 0.000 0.818 786 A HN 0.521 nan 8.150 nan 0.000 0.453 787 L N 0.715 121.948 121.223 0.017 0.000 2.543 787 L HA 0.415 4.760 4.340 0.008 0.000 0.265 787 L C -0.797 176.100 176.870 0.044 0.000 0.945 787 L CA -0.712 54.146 54.840 0.029 0.000 0.869 787 L CB 2.141 44.219 42.059 0.032 0.000 1.294 787 L HN 0.427 nan 8.230 nan 0.000 0.405 788 I N 0.723 121.325 120.570 0.053 0.000 2.713 788 I HA 0.423 4.598 4.170 0.008 0.000 0.300 788 I C -1.472 174.689 176.117 0.073 0.000 1.009 788 I CA -1.777 59.558 61.300 0.058 0.000 1.305 788 I CB 1.052 39.084 38.000 0.053 0.000 1.430 788 I HN 0.397 nan 8.210 nan 0.000 0.546 789 P HA -0.165 nan 4.420 nan 0.000 0.216 789 P C 1.704 179.067 177.300 0.105 0.000 1.150 789 P CA 1.380 64.524 63.100 0.075 0.000 0.843 789 P CB 0.004 31.739 31.700 0.059 0.000 0.787 790 V N 0.421 120.390 119.914 0.091 0.000 2.568 790 V HA -0.245 3.880 4.120 0.008 0.000 0.253 790 V C 2.767 179.015 176.094 0.257 0.000 1.072 790 V CA 1.911 64.272 62.300 0.101 0.000 1.084 790 V CB -1.477 30.327 31.823 -0.032 0.000 0.676 790 V HN 0.187 nan 8.190 nan 0.000 0.469 791 Q N -0.521 119.430 119.800 0.251 0.000 2.123 791 Q HA 0.014 4.358 4.340 0.008 0.000 0.196 791 Q C 2.330 178.505 176.000 0.291 0.000 0.958 791 Q CA 1.067 57.064 55.803 0.323 0.000 0.841 791 Q CB -0.168 28.695 28.738 0.209 0.000 0.915 791 Q HN 0.523 nan 8.270 nan 0.000 0.455 792 L N 0.584 121.922 121.223 0.191 0.000 2.012 792 L HA -0.225 4.119 4.340 0.008 0.000 0.210 792 L C 2.331 179.296 176.870 0.158 0.000 1.073 792 L CA 1.091 56.016 54.840 0.141 0.000 0.748 792 L CB -0.542 41.571 42.059 0.090 0.000 0.891 792 L HN 0.259 nan 8.230 nan 0.000 0.431 793 L N -1.129 120.206 121.223 0.187 0.000 2.079 793 L HA -0.283 4.062 4.340 0.008 0.000 0.210 793 L C 2.497 179.500 176.870 0.221 0.000 1.081 793 L CA 1.472 56.419 54.840 0.178 0.000 0.752 793 L CB -0.623 41.550 42.059 0.191 0.000 0.896 793 L HN 0.562 nan 8.230 nan 0.000 0.433 794 W N 0.307 121.706 121.300 0.165 0.000 2.402 794 W HA -0.122 4.542 4.660 0.007 0.000 0.286 794 W C 1.938 178.501 176.519 0.074 0.000 1.221 794 W CA 1.389 58.828 57.345 0.157 0.000 1.257 794 W CB 0.095 29.681 29.460 0.210 0.000 1.120 794 W HN -0.033 nan 8.180 nan 0.000 0.551 795 V N 1.550 121.570 119.914 0.177 0.000 2.407 795 V HA -0.244 3.881 4.120 0.008 0.000 0.245 795 V C 1.634 177.694 176.094 -0.056 0.000 1.041 795 V CA 1.761 64.091 62.300 0.050 0.000 1.040 795 V CB -0.949 30.928 31.823 0.090 0.000 0.671 795 V HN 0.079 nan 8.190 nan 0.000 0.455 796 N N -0.174 118.506 118.700 -0.032 0.000 2.449 796 N HA 0.159 4.903 4.740 0.008 0.000 0.191 796 N C 1.125 176.583 175.510 -0.086 0.000 1.161 796 N CA 0.633 53.646 53.050 -0.062 0.000 0.863 796 N CB 0.710 39.180 38.487 -0.029 0.000 0.980 796 N HN 0.437 nan 8.380 nan 0.000 0.458 797 L N -1.508 119.631 121.223 -0.139 0.000 2.885 797 L HA 0.200 4.545 4.340 0.008 0.000 0.251 797 L C 1.336 178.039 176.870 -0.280 0.000 1.071 797 L CA 0.152 54.889 54.840 -0.172 0.000 0.956 797 L CB 0.602 42.583 42.059 -0.130 0.000 1.483 797 L HN -0.148 nan 8.230 nan 0.000 0.525 798 V N -1.811 117.828 119.914 -0.458 0.000 2.950 798 V HA -0.011 4.113 4.120 0.008 0.000 0.231 798 V C 2.225 178.104 176.094 -0.357 0.000 1.205 798 V CA 1.292 63.264 62.300 -0.546 0.000 1.239 798 V CB 0.390 31.526 31.823 -1.146 0.000 1.050 798 V HN 0.184 nan 8.190 nan 0.000 0.498 799 T N 0.607 114.948 114.554 -0.354 0.000 2.635 799 T HA -0.217 4.137 4.350 0.008 0.000 0.267 799 T C 1.372 176.042 174.700 -0.051 0.000 1.040 799 T CA 2.137 64.166 62.100 -0.119 0.000 1.156 799 T CB -0.270 68.584 68.868 -0.023 0.000 0.863 799 T HN 0.434 nan 8.240 nan 0.000 0.430 800 D N 0.016 120.384 120.400 -0.053 0.000 2.367 800 D HA 0.162 4.807 4.640 0.008 0.000 0.207 800 D C 2.210 178.534 176.300 0.040 0.000 1.034 800 D CA 0.382 54.414 54.000 0.052 0.000 0.861 800 D CB -0.234 40.530 40.800 -0.060 0.000 0.943 800 D HN 0.440 nan 8.370 nan 0.000 0.515 801 G N 1.892 110.646 108.800 -0.077 0.000 2.480 801 G HA2 -0.207 3.757 3.960 0.008 0.000 0.216 801 G HA3 -0.207 3.757 3.960 0.008 0.000 0.216 801 G C 1.601 176.441 174.900 -0.100 0.000 1.200 801 G CA 0.318 45.351 45.100 -0.111 0.000 0.782 801 G HN 0.129 nan 8.290 nan 0.000 0.554 802 L N 1.528 122.702 121.223 -0.081 0.000 1.989 802 L HA -0.051 4.294 4.340 0.008 0.000 0.211 802 L C 0.509 177.350 176.870 -0.047 0.000 1.071 802 L CA 1.984 56.792 54.840 -0.053 0.000 0.749 802 L CB -2.305 39.739 42.059 -0.025 0.000 0.890 802 L HN 0.166 nan 8.230 nan 0.000 0.431 803 P HA -0.174 nan 4.420 nan 0.000 0.216 803 P C 1.699 178.910 177.300 -0.149 0.000 1.153 803 P CA 2.099 65.151 63.100 -0.080 0.000 0.858 803 P CB -0.003 31.677 31.700 -0.034 0.000 0.789 804 A N -1.068 121.721 122.820 -0.052 0.000 1.858 804 A HA -0.201 4.123 4.320 0.008 0.000 0.216 804 A C 2.272 179.661 177.584 -0.326 0.000 1.190 804 A CA 2.588 54.571 52.037 -0.089 0.000 0.617 804 A CB -1.912 17.044 19.000 -0.073 0.000 0.827 804 A HN 0.159 nan 8.150 nan 0.000 0.443 805 T N 0.432 114.771 114.554 -0.359 0.000 2.720 805 T HA -0.065 4.290 4.350 0.008 0.000 0.268 805 T C 2.172 176.562 174.700 -0.517 0.000 1.037 805 T CA 1.664 63.480 62.100 -0.473 0.000 1.144 805 T CB -0.483 68.211 68.868 -0.289 0.000 0.864 805 T HN 0.614 nan 8.240 nan 0.000 0.444 806 A N 1.106 123.797 122.820 -0.216 0.000 1.972 806 A HA 0.030 4.354 4.320 0.008 0.000 0.219 806 A C 2.265 179.790 177.584 -0.097 0.000 1.169 806 A CA 1.098 53.116 52.037 -0.032 0.000 0.635 806 A CB -0.818 18.241 19.000 0.098 0.000 0.810 806 A HN 0.493 nan 8.150 nan 0.000 0.446 807 L N -0.701 120.447 121.223 -0.126 0.000 2.191 807 L HA -0.110 4.234 4.340 0.008 0.000 0.212 807 L C 2.585 179.437 176.870 -0.030 0.000 1.103 807 L CA 0.777 55.591 54.840 -0.044 0.000 0.769 807 L CB -0.505 41.557 42.059 0.004 0.000 0.908 807 L HN 0.501 nan 8.230 nan 0.000 0.438 808 G N -0.778 107.913 108.800 -0.182 0.000 2.625 808 G HA2 -0.195 3.770 3.960 0.008 0.000 0.214 808 G HA3 -0.195 3.770 3.960 0.008 0.000 0.214 808 G C 0.755 175.464 174.900 -0.318 0.000 1.132 808 G CA 0.115 45.078 45.100 -0.228 0.000 0.782 808 G HN 0.300 nan 8.290 nan 0.000 0.538 809 F N 0.680 120.626 119.950 -0.007 0.000 2.708 809 F HA 0.356 4.888 4.527 0.008 0.000 0.300 809 F C 0.537 176.343 175.800 0.011 0.000 1.118 809 F CA -1.921 56.045 58.000 -0.057 0.000 1.307 809 F CB -0.553 38.323 39.000 -0.207 0.000 0.986 809 F HN -0.133 nan 8.300 nan 0.000 0.522 810 N N 3.561 122.340 118.700 0.133 0.000 2.416 810 N HA 0.066 4.811 4.740 0.008 0.000 0.246 810 N C -2.371 173.195 175.510 0.094 0.000 1.260 810 N CA -0.933 52.176 53.050 0.098 0.000 0.897 810 N CB 0.208 38.714 38.487 0.031 0.000 1.110 810 N HN 0.011 nan 8.380 nan 0.000 0.439 811 P HA 0.127 nan 4.420 nan 0.000 0.271 811 P C -2.386 174.941 177.300 0.044 0.000 1.220 811 P CA -0.762 62.380 63.100 0.070 0.000 0.768 811 P CB 0.001 31.739 31.700 0.063 0.000 0.848 812 P HA 0.186 nan 4.420 nan 0.000 0.274 812 P C -0.312 177.001 177.300 0.023 0.000 1.231 812 P CA -0.091 63.026 63.100 0.029 0.000 0.790 812 P CB 0.897 32.618 31.700 0.034 0.000 0.951 813 D N 0.866 121.275 120.400 0.016 0.000 2.360 813 D HA 0.091 4.735 4.640 0.008 0.000 0.242 813 D C 1.582 177.891 176.300 0.016 0.000 1.184 813 D CA -0.220 53.788 54.000 0.013 0.000 0.930 813 D CB 1.059 41.864 40.800 0.008 0.000 1.161 813 D HN 0.281 nan 8.370 nan 0.000 0.447 814 L N 0.329 121.561 121.223 0.014 0.000 2.127 814 L HA -0.074 4.270 4.340 0.008 0.000 0.203 814 L C 1.677 178.555 176.870 0.013 0.000 1.080 814 L CA 0.654 55.503 54.840 0.014 0.000 0.768 814 L CB -0.259 41.808 42.059 0.013 0.000 0.924 814 L HN 0.408 nan 8.230 nan 0.000 0.444 815 D N 0.474 120.880 120.400 0.011 0.000 2.323 815 D HA -0.117 4.528 4.640 0.008 0.000 0.239 815 D C 1.811 178.118 176.300 0.011 0.000 1.129 815 D CA 0.143 54.149 54.000 0.010 0.000 0.865 815 D CB -0.119 40.685 40.800 0.007 0.000 0.913 815 D HN 0.400 nan 8.370 nan 0.000 0.517 816 I N -0.214 120.365 120.570 0.014 0.000 2.264 816 I HA -0.243 3.932 4.170 0.008 0.000 0.248 816 I C 1.365 177.492 176.117 0.016 0.000 1.111 816 I CA 1.022 62.333 61.300 0.017 0.000 1.382 816 I CB 0.146 38.158 38.000 0.021 0.000 1.060 816 I HN -0.055 nan 8.210 nan 0.000 0.418 817 M N -0.337 119.271 119.600 0.014 0.000 2.493 817 M HA 0.095 4.580 4.480 0.008 0.000 0.244 817 M C 0.063 176.370 176.300 0.011 0.000 1.182 817 M CA 0.678 55.986 55.300 0.012 0.000 0.981 817 M CB -0.738 31.869 32.600 0.012 0.000 1.551 817 M HN 0.093 nan 8.290 nan 0.000 0.476 818 D N -0.038 120.369 120.400 0.010 0.000 2.469 818 D HA 0.193 4.837 4.640 0.008 0.000 0.215 818 D C 0.122 176.427 176.300 0.007 0.000 1.154 818 D CA 0.134 54.139 54.000 0.008 0.000 0.832 818 D CB 0.917 41.721 40.800 0.007 0.000 1.008 818 D HN 0.165 nan 8.370 nan 0.000 0.506 819 R N 1.028 121.533 120.500 0.009 0.000 2.732 819 R HA 0.496 4.840 4.340 0.008 0.000 0.278 819 R C -2.401 173.904 176.300 0.009 0.000 0.976 819 R CA -1.746 54.359 56.100 0.009 0.000 0.963 819 R CB 1.516 31.823 30.300 0.012 0.000 1.150 819 R HN -0.040 nan 8.270 nan 0.000 0.478 820 P HA 0.188 nan 4.420 nan 0.000 0.274 820 P C -2.555 174.748 177.300 0.005 0.000 1.256 820 P CA -1.434 61.669 63.100 0.005 0.000 0.795 820 P CB -0.157 31.545 31.700 0.004 0.000 1.038 821 P HA 0.158 nan 4.420 nan 0.000 0.269 821 P C 0.104 177.401 177.300 -0.004 0.000 1.209 821 P CA 0.163 63.259 63.100 -0.007 0.000 0.776 821 P CB 0.302 31.994 31.700 -0.013 0.000 0.876 822 R N 1.194 121.688 120.500 -0.010 0.000 2.539 822 R HA 0.230 4.574 4.340 0.008 0.000 0.275 822 R C 0.602 176.892 176.300 -0.017 0.000 1.077 822 R CA -0.252 55.848 56.100 -0.000 0.000 1.097 822 R CB 0.125 30.434 30.300 0.015 0.000 1.018 822 R HN 0.424 nan 8.270 nan 0.000 0.483 823 S N 2.136 117.837 115.700 0.001 0.000 2.549 823 S HA 0.109 4.584 4.470 0.008 0.000 0.283 823 S C -1.455 173.135 174.600 -0.018 0.000 1.320 823 S CA -1.171 57.029 58.200 -0.001 0.000 1.058 823 S CB 0.587 63.795 63.200 0.014 0.000 0.882 823 S HN 0.281 nan 8.310 nan 0.000 0.498 824 P HA 0.022 nan 4.420 nan 0.000 0.223 824 P C 0.646 177.935 177.300 -0.018 0.000 1.151 824 P CA 0.831 63.905 63.100 -0.043 0.000 0.787 824 P CB 0.188 31.869 31.700 -0.032 0.000 0.788 825 K N -0.228 120.174 120.400 0.003 0.000 2.404 825 K HA 0.046 4.371 4.320 0.008 0.000 0.194 825 K C 0.526 177.145 176.600 0.032 0.000 1.023 825 K CA -0.015 56.282 56.287 0.018 0.000 1.094 825 K CB -0.262 32.249 32.500 0.018 0.000 0.841 825 K HN 0.351 nan 8.250 nan 0.000 0.523 826 E N 4.048 124.270 120.200 0.037 0.000 2.491 826 E HA -0.006 4.348 4.350 0.008 0.000 0.250 826 E C -2.038 174.610 176.600 0.079 0.000 1.061 826 E CA -1.374 55.061 56.400 0.059 0.000 0.942 826 E CB 0.426 30.169 29.700 0.072 0.000 0.957 826 E HN -0.025 nan 8.360 nan 0.000 0.480 827 P HA -0.027 nan 4.420 nan 0.000 0.271 827 P C 0.624 177.977 177.300 0.089 0.000 1.216 827 P CA 0.009 63.157 63.100 0.081 0.000 0.776 827 P CB 1.051 32.796 31.700 0.075 0.000 0.881 828 L N 1.862 123.132 121.223 0.079 0.000 2.093 828 L HA 0.044 4.388 4.340 0.008 0.000 0.208 828 L C 1.133 178.051 176.870 0.079 0.000 1.085 828 L CA 1.305 56.175 54.840 0.051 0.000 0.755 828 L CB -0.271 41.784 42.059 -0.006 0.000 0.904 828 L HN 0.348 nan 8.230 nan 0.000 0.435 829 I N -0.982 119.660 120.570 0.119 0.000 2.468 829 I HA 0.314 4.489 4.170 0.008 0.000 0.285 829 I C -0.449 175.811 176.117 0.238 0.000 1.039 829 I CA -0.066 61.350 61.300 0.194 0.000 1.074 829 I CB 1.898 40.035 38.000 0.228 0.000 1.228 829 I HN -0.127 nan 8.210 nan 0.000 0.436 830 S N 3.328 119.161 115.700 0.222 0.000 2.587 830 S HA 0.816 5.290 4.470 0.008 0.000 0.269 830 S C -0.027 174.690 174.600 0.195 0.000 1.154 830 S CA 0.375 58.690 58.200 0.191 0.000 0.824 830 S CB 1.495 64.755 63.200 0.099 0.000 1.118 830 S HN 1.248 nan 8.310 nan 0.000 0.462 831 G N 3.411 112.305 108.800 0.156 0.000 2.550 831 G HA2 -0.342 3.623 3.960 0.008 0.000 0.277 831 G HA3 -0.342 3.623 3.960 0.008 0.000 0.277 831 G C 1.036 176.127 174.900 0.318 0.000 1.190 831 G CA 0.563 45.782 45.100 0.198 0.000 0.971 831 G HN 1.111 nan 8.290 nan 0.000 0.559 832 W N 0.134 121.522 121.300 0.147 0.000 2.350 832 W HA -0.027 4.637 4.660 0.006 0.000 0.289 832 W C 2.253 178.865 176.519 0.156 0.000 1.215 832 W CA 2.062 59.519 57.345 0.188 0.000 1.236 832 W CB -0.211 29.324 29.460 0.124 0.000 1.130 832 W HN 0.465 nan 8.180 nan 0.000 0.541 833 L N 0.533 121.823 121.223 0.111 0.000 2.291 833 L HA -0.093 4.251 4.340 0.008 0.000 0.214 833 L C 2.219 179.042 176.870 -0.078 0.000 1.120 833 L CA 1.632 56.399 54.840 -0.121 0.000 0.799 833 L CB -1.273 40.766 42.059 -0.033 0.000 0.925 833 L HN -0.031 nan 8.230 nan 0.000 0.446 834 F N -0.865 119.076 119.950 -0.017 0.000 2.074 834 F HA -0.219 4.312 4.527 0.007 0.000 0.293 834 F C 2.283 178.087 175.800 0.008 0.000 1.116 834 F CA 1.801 59.833 58.000 0.054 0.000 1.212 834 F CB -0.596 38.458 39.000 0.090 0.000 0.998 834 F HN 0.174 nan 8.300 nan 0.000 0.471 835 F N 1.633 121.612 119.950 0.049 0.000 2.095 835 F HA -0.172 4.359 4.527 0.007 0.000 0.298 835 F C 2.652 178.222 175.800 -0.384 0.000 1.104 835 F CA 2.172 60.083 58.000 -0.148 0.000 1.232 835 F CB -0.885 38.009 39.000 -0.177 0.000 0.987 835 F HN -0.009 nan 8.300 nan 0.000 0.475 836 R N -0.715 119.291 120.500 -0.824 0.000 2.097 836 R HA -0.252 4.093 4.340 0.008 0.000 0.236 836 R C 2.400 178.370 176.300 -0.550 0.000 1.135 836 R CA 2.359 57.909 56.100 -0.916 0.000 0.934 836 R CB -1.155 28.625 30.300 -0.866 0.000 0.846 836 R HN 0.485 nan 8.270 nan 0.000 0.431 837 Y N -0.515 119.549 120.300 -0.393 0.000 2.421 837 Y HA -0.191 4.363 4.550 0.007 0.000 0.292 837 Y C 2.370 178.057 175.900 -0.355 0.000 1.136 837 Y CA 0.468 58.384 58.100 -0.307 0.000 1.255 837 Y CB 0.072 38.385 38.460 -0.245 0.000 0.991 837 Y HN 0.237 nan 8.280 nan 0.000 0.552 838 M N 0.020 119.433 119.600 -0.311 0.000 2.175 838 M HA -0.117 4.368 4.480 0.008 0.000 0.264 838 M C 2.189 178.335 176.300 -0.256 0.000 1.063 838 M CA 1.835 56.940 55.300 -0.324 0.000 1.119 838 M CB -0.311 32.102 32.600 -0.311 0.000 1.377 838 M HN 0.142 nan 8.290 nan 0.000 0.415 839 A N 0.104 122.680 122.820 -0.407 0.000 1.872 839 A HA -0.033 4.292 4.320 0.008 0.000 0.214 839 A C 1.942 179.429 177.584 -0.162 0.000 1.187 839 A CA 1.327 53.160 52.037 -0.341 0.000 0.614 839 A CB -0.833 17.811 19.000 -0.595 0.000 0.826 839 A HN 0.489 nan 8.150 nan 0.000 0.442 840 I N 0.449 120.931 120.570 -0.147 0.000 2.335 840 I HA -0.204 3.971 4.170 0.008 0.000 0.251 840 I C 2.530 178.664 176.117 0.029 0.000 1.129 840 I CA 1.494 62.782 61.300 -0.020 0.000 1.402 840 I CB -1.982 36.043 38.000 0.041 0.000 1.069 840 I HN 0.356 nan 8.210 nan 0.000 0.424 841 G N 0.732 109.515 108.800 -0.028 0.000 2.394 841 G HA2 -0.122 3.842 3.960 0.008 0.000 0.214 841 G HA3 -0.122 3.842 3.960 0.008 0.000 0.214 841 G C 1.762 176.664 174.900 0.002 0.000 1.176 841 G CA 0.733 45.814 45.100 -0.031 0.000 0.786 841 G HN 0.452 nan 8.290 nan 0.000 0.533 842 G N -0.169 108.636 108.800 0.008 0.000 2.418 842 G HA2 -0.268 3.697 3.960 0.008 0.000 0.217 842 G HA3 -0.268 3.697 3.960 0.008 0.000 0.217 842 G C 1.616 176.558 174.900 0.070 0.000 1.158 842 G CA 1.143 46.265 45.100 0.037 0.000 0.771 842 G HN 0.385 nan 8.290 nan 0.000 0.545 843 Y N 1.483 121.759 120.300 -0.041 0.000 2.070 843 Y HA -0.182 4.372 4.550 0.007 0.000 0.280 843 Y C 2.910 178.796 175.900 -0.024 0.000 1.148 843 Y CA 1.754 59.834 58.100 -0.033 0.000 1.125 843 Y CB -0.576 37.859 38.460 -0.042 0.000 0.975 843 Y HN 0.032 nan 8.280 nan 0.000 0.492 844 V N 0.141 120.041 119.914 -0.024 0.000 2.568 844 V HA -0.287 3.838 4.120 0.008 0.000 0.253 844 V C 2.529 178.555 176.094 -0.113 0.000 1.072 844 V CA 1.851 64.084 62.300 -0.111 0.000 1.084 844 V CB -1.609 30.202 31.823 -0.021 0.000 0.676 844 V HN 0.648 nan 8.190 nan 0.000 0.469 845 G N -0.748 108.016 108.800 -0.060 0.000 2.421 845 G HA2 -0.024 3.940 3.960 0.008 0.000 0.217 845 G HA3 -0.024 3.940 3.960 0.008 0.000 0.217 845 G C 1.595 176.467 174.900 -0.047 0.000 1.143 845 G CA 0.878 45.959 45.100 -0.031 0.000 0.784 845 G HN 0.613 nan 8.290 nan 0.000 0.541 846 A N 0.533 123.300 122.820 -0.089 0.000 2.044 846 A HA 0.624 4.949 4.320 0.008 0.000 0.213 846 A C 2.592 180.079 177.584 -0.162 0.000 1.169 846 A CA 1.375 53.358 52.037 -0.089 0.000 0.724 846 A CB -0.279 18.686 19.000 -0.059 0.000 0.840 846 A HN 0.520 nan 8.150 nan 0.000 0.463 847 A N 0.156 122.790 122.820 -0.311 0.000 1.968 847 A HA -0.031 4.294 4.320 0.008 0.000 0.217 847 A C 2.371 179.840 177.584 -0.191 0.000 1.169 847 A CA 2.292 54.118 52.037 -0.352 0.000 0.638 847 A CB -1.018 17.621 19.000 -0.602 0.000 0.812 847 A HN 0.620 nan 8.150 nan 0.000 0.446 848 T N -2.947 111.522 114.554 -0.141 0.000 2.814 848 T HA -0.042 4.312 4.350 0.008 0.000 0.254 848 T C 1.647 176.323 174.700 -0.039 0.000 1.037 848 T CA 1.297 63.349 62.100 -0.081 0.000 1.143 848 T CB -0.795 68.038 68.868 -0.058 0.000 0.866 848 T HN 0.040 nan 8.240 nan 0.000 0.431 849 V N 1.885 121.785 119.914 -0.023 0.000 2.759 849 V HA 0.066 4.190 4.120 0.008 0.000 0.256 849 V C 2.870 178.992 176.094 0.047 0.000 1.080 849 V CA 1.601 63.912 62.300 0.018 0.000 1.101 849 V CB -1.312 30.525 31.823 0.024 0.000 0.698 849 V HN 0.715 nan 8.190 nan 0.000 0.477 850 G N -0.233 108.576 108.800 0.016 0.000 2.439 850 G HA2 -0.060 3.904 3.960 0.008 0.000 0.212 850 G HA3 -0.060 3.904 3.960 0.008 0.000 0.212 850 G C 1.709 176.671 174.900 0.104 0.000 1.199 850 G CA 0.675 45.805 45.100 0.050 0.000 0.807 850 G HN 0.557 nan 8.290 nan 0.000 0.537 851 A N 0.794 123.629 122.820 0.025 0.000 2.131 851 A HA 0.302 4.627 4.320 0.008 0.000 0.220 851 A C 2.556 180.242 177.584 0.170 0.000 1.158 851 A CA 2.130 54.197 52.037 0.050 0.000 0.665 851 A CB -0.398 18.552 19.000 -0.083 0.000 0.795 851 A HN 0.684 nan 8.150 nan 0.000 0.460 852 A N -0.602 122.283 122.820 0.108 0.000 1.911 852 A HA 0.418 4.742 4.320 0.008 0.000 0.212 852 A C 2.383 180.052 177.584 0.143 0.000 1.189 852 A CA 1.295 53.367 52.037 0.058 0.000 0.639 852 A CB -0.763 18.241 19.000 0.007 0.000 0.839 852 A HN 0.933 nan 8.150 nan 0.000 0.449 853 A N -1.569 121.395 122.820 0.240 0.000 2.014 853 A HA -0.039 4.285 4.320 0.008 0.000 0.218 853 A C 1.866 179.686 177.584 0.393 0.000 1.163 853 A CA 1.259 53.505 52.037 0.347 0.000 0.652 853 A CB -0.780 18.399 19.000 0.298 0.000 0.808 853 A HN 0.824 nan 8.150 nan 0.000 0.449 854 W N -0.498 120.914 121.300 0.185 0.000 2.333 854 W HA -0.225 4.439 4.660 0.006 0.000 0.316 854 W C 1.956 178.618 176.519 0.238 0.000 1.215 854 W CA 1.939 59.403 57.345 0.199 0.000 1.278 854 W CB -0.655 28.863 29.460 0.098 0.000 1.154 854 W HN 0.464 nan 8.180 nan 0.000 0.486 855 W N 0.000 121.317 121.300 0.029 0.000 2.342 855 W HA -0.212 4.453 4.660 0.007 0.000 0.297 855 W C 2.057 178.437 176.519 -0.232 0.000 1.213 855 W CA 2.295 59.455 57.345 -0.308 0.000 1.251 855 W CB -0.893 28.463 29.460 -0.173 0.000 1.136 855 W HN -0.089 nan 8.180 nan 0.000 0.526 856 F N -0.749 119.272 119.950 0.117 0.000 2.699 856 F HA -0.099 4.432 4.527 0.007 0.000 0.298 856 F C 1.926 177.636 175.800 -0.149 0.000 1.154 856 F CA 0.650 58.655 58.000 0.008 0.000 1.457 856 F CB 0.041 39.153 39.000 0.186 0.000 1.106 856 F HN -0.060 nan 8.300 nan 0.000 0.585 857 M N -3.034 116.553 119.600 -0.020 0.000 2.330 857 M HA 0.064 4.548 4.480 0.008 0.000 0.207 857 M C 0.421 176.456 176.300 -0.442 0.000 1.622 857 M CA 0.496 55.701 55.300 -0.158 0.000 1.045 857 M CB 0.115 32.741 32.600 0.043 0.000 1.461 857 M HN -0.149 nan 8.290 nan 0.000 0.564 858 Y N 0.809 120.817 120.300 -0.486 0.000 2.524 858 Y HA 0.573 5.127 4.550 0.007 0.000 0.266 858 Y C 0.851 176.263 175.900 -0.814 0.000 1.180 858 Y CA -0.788 57.002 58.100 -0.516 0.000 1.244 858 Y CB -0.281 38.013 38.460 -0.276 0.000 1.125 858 Y HN 0.069 nan 8.280 nan 0.000 0.524 859 A N 0.373 122.598 122.820 -0.991 0.000 2.293 859 A HA 0.387 4.711 4.320 0.008 0.000 0.302 859 A C 0.320 177.553 177.584 -0.585 0.000 1.119 859 A CA -0.598 50.825 52.037 -1.025 0.000 0.823 859 A CB 0.370 18.570 19.000 -1.334 0.000 1.097 859 A HN 0.423 nan 8.150 nan 0.000 0.491 860 E N 1.010 121.003 120.200 -0.345 0.000 2.325 860 E HA 0.158 4.513 4.350 0.008 0.000 0.295 860 E C -0.819 175.652 176.600 -0.214 0.000 1.461 860 E CA -0.021 56.248 56.400 -0.219 0.000 1.698 860 E CB 0.133 29.781 29.700 -0.086 0.000 1.496 860 E HN 0.594 nan 8.360 nan 0.000 0.474 861 D N -0.300 119.870 120.400 -0.384 0.000 2.337 861 D HA 0.076 4.721 4.640 0.008 0.000 0.349 861 D C 0.670 176.690 176.300 -0.467 0.000 1.123 861 D CA 0.114 53.937 54.000 -0.294 0.000 0.887 861 D CB 1.506 42.265 40.800 -0.069 0.000 1.396 861 D HN 0.315 nan 8.370 nan 0.000 0.510 862 G N 2.432 110.795 108.800 -0.728 0.000 4.357 862 G HA2 0.239 4.204 3.960 0.008 0.000 0.234 862 G HA3 0.239 4.204 3.960 0.008 0.000 0.234 862 G C -3.015 171.565 174.900 -0.533 0.000 3.600 862 G CA -0.582 44.138 45.100 -0.633 0.000 0.615 862 G HN -0.176 nan 8.290 nan 0.000 0.209 863 P HA 0.386 nan 4.420 nan 0.000 0.267 863 P C 0.854 178.032 177.300 -0.204 0.000 1.201 863 P CA 0.781 63.696 63.100 -0.309 0.000 0.775 863 P CB 1.373 32.919 31.700 -0.256 0.000 0.854 864 G N -0.312 108.396 108.800 -0.152 0.000 3.021 864 G HA2 0.430 4.395 3.960 0.008 0.000 0.290 864 G HA3 0.430 4.395 3.960 0.008 0.000 0.290 864 G C -1.105 173.770 174.900 -0.041 0.000 1.291 864 G CA -0.656 44.398 45.100 -0.076 0.000 0.834 864 G HN 0.317 nan 8.290 nan 0.000 0.564 865 V N 1.819 121.746 119.914 0.022 0.000 2.409 865 V HA 0.145 4.270 4.120 0.008 0.000 0.270 865 V C 1.924 178.076 176.094 0.097 0.000 1.019 865 V CA 0.868 63.210 62.300 0.069 0.000 1.066 865 V CB 0.125 32.005 31.823 0.094 0.000 1.021 865 V HN 0.956 nan 8.190 nan 0.000 0.476 866 T N 0.880 115.485 114.554 0.085 0.000 3.155 866 T HA -0.098 4.257 4.350 0.008 0.000 0.264 866 T C 0.828 175.591 174.700 0.105 0.000 1.160 866 T CA 0.855 62.973 62.100 0.029 0.000 1.075 866 T CB -0.430 68.382 68.868 -0.094 0.000 0.921 866 T HN 0.560 nan 8.240 nan 0.000 0.533 867 Y N 0.653 120.982 120.300 0.049 0.000 2.625 867 Y HA 0.323 4.878 4.550 0.008 0.000 0.285 867 Y C 0.882 176.876 175.900 0.156 0.000 1.168 867 Y CA -1.163 56.983 58.100 0.076 0.000 1.250 867 Y CB -0.616 37.859 38.460 0.025 0.000 1.130 867 Y HN 0.503 nan 8.280 nan 0.000 0.526 868 H N -0.366 118.778 119.070 0.122 0.000 2.862 868 H HA -0.187 4.375 4.556 0.009 0.000 0.290 868 H C 0.995 176.365 175.328 0.069 0.000 1.211 868 H CA 0.590 56.688 56.048 0.084 0.000 1.140 868 H CB -1.042 28.752 29.762 0.054 0.000 1.341 868 H HN 0.280 nan 8.280 nan 0.000 0.392 869 Q N 0.029 119.867 119.800 0.063 0.000 2.365 869 Q HA 0.083 4.428 4.340 0.008 0.000 0.203 869 Q C 2.125 178.112 176.000 -0.021 0.000 0.929 869 Q CA 0.551 56.398 55.803 0.073 0.000 0.948 869 Q CB 0.076 28.873 28.738 0.099 0.000 1.043 869 Q HN 0.594 nan 8.270 nan 0.000 0.505 870 L N 0.587 121.740 121.223 -0.117 0.000 2.353 870 L HA -0.083 4.262 4.340 0.008 0.000 0.220 870 L C 1.577 178.313 176.870 -0.223 0.000 1.133 870 L CA 1.578 56.340 54.840 -0.130 0.000 0.798 870 L CB -0.519 41.482 42.059 -0.098 0.000 0.922 870 L HN 0.024 nan 8.230 nan 0.000 0.445 871 T N -1.222 113.086 114.554 -0.410 0.000 2.929 871 T HA -0.156 4.198 4.350 0.008 0.000 0.271 871 T C 0.672 175.026 174.700 -0.577 0.000 1.085 871 T CA 1.749 63.543 62.100 -0.510 0.000 1.125 871 T CB -0.571 67.863 68.868 -0.724 0.000 0.874 871 T HN 0.588 nan 8.240 nan 0.000 0.494 872 H N 0.207 119.163 119.070 -0.190 0.000 2.503 872 H HA 0.302 4.862 4.556 0.007 0.000 0.296 872 H C 1.166 176.260 175.328 -0.390 0.000 1.097 872 H CA -0.679 55.204 56.048 -0.274 0.000 1.055 872 H CB -0.679 28.978 29.762 -0.176 0.000 1.580 872 H HN 0.459 nan 8.280 nan 0.000 0.546 873 F N -0.837 118.794 119.950 -0.532 0.000 2.373 873 F HA -0.167 4.364 4.527 0.007 0.000 0.300 873 F C 1.623 177.055 175.800 -0.613 0.000 1.080 873 F CA 0.700 58.065 58.000 -1.059 0.000 1.417 873 F CB -0.260 37.557 39.000 -1.972 0.000 1.070 873 F HN 0.139 nan 8.300 nan 0.000 0.546 874 M N 0.709 119.581 119.600 -1.213 0.000 2.156 874 M HA -0.094 4.391 4.480 0.008 0.000 0.264 874 M C 1.218 177.279 176.300 -0.399 0.000 1.067 874 M CA 1.288 56.078 55.300 -0.851 0.000 1.131 874 M CB -1.122 30.979 32.600 -0.830 0.000 1.368 874 M HN 0.315 nan 8.290 nan 0.000 0.416 875 Q N -0.651 118.961 119.800 -0.314 0.000 2.945 875 Q HA 0.011 4.355 4.340 0.008 0.000 0.323 875 Q C 1.201 177.107 176.000 -0.156 0.000 1.188 875 Q CA -0.389 55.278 55.803 -0.226 0.000 0.929 875 Q CB -0.013 28.581 28.738 -0.239 0.000 1.531 875 Q HN 0.421 nan 8.270 nan 0.000 0.444 876 c N -1.070 117.476 118.600 -0.090 0.000 2.508 876 c HA 0.010 4.585 4.570 0.008 0.000 0.303 876 c C 2.399 176.489 174.090 0.000 0.000 1.496 876 c CA 0.674 56.999 56.329 -0.006 0.000 2.041 876 c CB 0.077 42.686 42.510 0.165 0.000 2.011 876 c HN 0.553 nan 8.230 nan 0.000 0.655 877 T N 0.760 115.332 114.554 0.030 0.000 2.881 877 T HA -0.144 4.211 4.350 0.008 0.000 0.270 877 T C 1.483 176.211 174.700 0.046 0.000 1.068 877 T CA 2.016 64.154 62.100 0.065 0.000 1.131 877 T CB -0.269 68.631 68.868 0.054 0.000 0.871 877 T HN 0.662 nan 8.240 nan 0.000 0.479 878 E N 1.704 121.894 120.200 -0.017 0.000 2.008 878 E HA -0.077 4.277 4.350 0.008 0.000 0.191 878 E C 0.306 176.905 176.600 -0.002 0.000 0.986 878 E CA 1.025 57.410 56.400 -0.026 0.000 0.807 878 E CB 0.108 29.748 29.700 -0.099 0.000 0.766 878 E HN 0.248 nan 8.360 nan 0.000 0.450 879 D N 0.063 120.422 120.400 -0.067 0.000 2.590 879 D HA 0.027 4.672 4.640 0.008 0.000 0.280 879 D C 0.405 176.745 176.300 0.065 0.000 1.197 879 D CA -0.143 53.838 54.000 -0.032 0.000 0.967 879 D CB 0.465 41.080 40.800 -0.308 0.000 0.987 879 D HN 0.285 nan 8.370 nan 0.000 0.508 880 H N 2.696 121.780 119.070 0.023 0.000 2.290 880 H HA -0.065 4.496 4.556 0.008 0.000 0.298 880 H C -0.955 174.400 175.328 0.045 0.000 1.087 880 H CA 1.223 57.295 56.048 0.040 0.000 1.291 880 H CB -0.480 29.297 29.762 0.025 0.000 1.369 880 H HN 0.213 nan 8.280 nan 0.000 0.492 881 P HA -0.094 nan 4.420 nan 0.000 0.236 881 P C 0.664 177.950 177.300 -0.023 0.000 1.172 881 P CA 0.821 63.995 63.100 0.124 0.000 0.759 881 P CB -0.155 31.566 31.700 0.036 0.000 0.843 882 H N 0.670 119.670 119.070 -0.118 0.000 2.780 882 H HA -0.009 4.551 4.556 0.007 0.000 0.301 882 H C 0.443 175.381 175.328 -0.650 0.000 1.020 882 H CA 1.847 57.719 56.048 -0.292 0.000 1.110 882 H CB -0.507 29.275 29.762 0.034 0.000 1.504 882 H HN 0.068 nan 8.280 nan 0.000 0.728 883 F N -0.144 119.880 119.950 0.122 0.000 2.677 883 F HA 0.244 4.776 4.527 0.009 0.000 0.388 883 F C 0.680 176.491 175.800 0.019 0.000 1.400 883 F CA -0.386 57.634 58.000 0.033 0.000 1.162 883 F CB 0.641 39.650 39.000 0.015 0.000 1.135 883 F HN 0.121 nan 8.300 nan 0.000 0.516 884 E N 0.433 120.685 120.200 0.087 0.000 3.172 884 E HA 0.462 4.817 4.350 0.008 0.000 0.339 884 E C 1.666 178.255 176.600 -0.019 0.000 0.677 884 E CA 0.863 57.250 56.400 -0.021 0.000 1.512 884 E CB -0.637 28.902 29.700 -0.267 0.000 2.231 884 E HN 0.171 nan 8.360 nan 0.000 0.534 885 G N 1.174 109.975 108.800 0.002 0.000 2.140 885 G HA2 -0.158 3.806 3.960 0.008 0.000 0.211 885 G HA3 -0.158 3.806 3.960 0.008 0.000 0.211 885 G C 0.096 175.034 174.900 0.063 0.000 1.013 885 G CA 0.574 45.729 45.100 0.092 0.000 0.705 885 G HN 0.260 nan 8.290 nan 0.000 0.508 886 L N -4.547 116.690 121.223 0.024 0.000 2.892 886 L HA 0.757 5.102 4.340 0.008 0.000 0.269 886 L C -0.842 176.027 176.870 -0.001 0.000 1.058 886 L CA -1.436 53.405 54.840 0.001 0.000 0.923 886 L CB 0.945 42.957 42.059 -0.079 0.000 1.518 886 L HN -0.031 nan 8.230 nan 0.000 0.402 887 D N 0.284 120.687 120.400 0.004 0.000 2.458 887 D HA 0.104 4.748 4.640 0.008 0.000 0.243 887 D C 0.654 176.908 176.300 -0.076 0.000 1.146 887 D CA -0.003 54.007 54.000 0.016 0.000 0.877 887 D CB 1.579 42.387 40.800 0.012 0.000 1.176 887 D HN 0.711 nan 8.370 nan 0.000 0.461 888 c N 2.900 121.492 118.600 -0.013 0.000 2.522 888 c HA -0.009 4.566 4.570 0.008 0.000 0.271 888 c C 2.054 176.175 174.090 0.053 0.000 1.425 888 c CA -0.155 56.182 56.329 0.014 0.000 1.751 888 c CB -0.975 41.617 42.510 0.137 0.000 1.775 888 c HN 0.696 nan 8.230 nan 0.000 0.557 889 E N 0.669 120.886 120.200 0.029 0.000 2.511 889 E HA -0.060 4.295 4.350 0.008 0.000 0.196 889 E C 1.714 178.336 176.600 0.036 0.000 1.066 889 E CA 0.098 56.537 56.400 0.064 0.000 0.871 889 E CB -0.001 29.733 29.700 0.057 0.000 0.863 889 E HN 0.584 nan 8.360 nan 0.000 0.520 890 I N 0.055 120.565 120.570 -0.101 0.000 2.676 890 I HA -0.148 4.027 4.170 0.008 0.000 0.259 890 I C 0.914 177.073 176.117 0.070 0.000 1.194 890 I CA 0.974 62.231 61.300 -0.071 0.000 1.473 890 I CB -0.067 37.775 38.000 -0.263 0.000 1.096 890 I HN 0.094 nan 8.210 nan 0.000 0.443 891 F N 0.720 120.767 119.950 0.161 0.000 2.234 891 F HA 0.054 4.585 4.527 0.007 0.000 0.296 891 F C 2.164 178.094 175.800 0.217 0.000 1.089 891 F CA 0.835 58.919 58.000 0.140 0.000 1.343 891 F CB -0.785 38.167 39.000 -0.080 0.000 1.040 891 F HN 0.077 nan 8.300 nan 0.000 0.498 892 E N 0.623 121.000 120.200 0.294 0.000 2.416 892 E HA 0.207 4.562 4.350 0.008 0.000 0.189 892 E C 0.365 177.025 176.600 0.100 0.000 1.091 892 E CA -0.241 56.262 56.400 0.172 0.000 0.889 892 E CB -0.096 29.690 29.700 0.142 0.000 1.015 892 E HN 0.181 nan 8.360 nan 0.000 0.479 893 A N 2.701 125.592 122.820 0.118 0.000 2.450 893 A HA 0.129 4.454 4.320 0.008 0.000 0.255 893 A C -1.481 176.000 177.584 -0.172 0.000 1.096 893 A CA -1.108 50.921 52.037 -0.014 0.000 0.778 893 A CB 0.149 19.165 19.000 0.026 0.000 1.031 893 A HN 0.002 nan 8.150 nan 0.000 0.494 894 P HA 0.001 nan 4.420 nan 0.000 0.249 894 P C 0.204 177.286 177.300 -0.362 0.000 1.241 894 P CA 0.603 63.576 63.100 -0.212 0.000 0.781 894 P CB 0.462 32.084 31.700 -0.131 0.000 1.088 895 E N 1.321 121.148 120.200 -0.622 0.000 2.042 895 E HA -0.031 4.323 4.350 0.008 0.000 0.189 895 E C -0.475 175.504 176.600 -1.035 0.000 0.974 895 E CA 1.262 57.106 56.400 -0.928 0.000 0.806 895 E CB -1.748 27.063 29.700 -1.481 0.000 0.769 895 E HN 0.374 nan 8.360 nan 0.000 0.451 896 P HA -0.159 nan 4.420 nan 0.000 0.216 896 P C 1.352 178.414 177.300 -0.396 0.000 1.153 896 P CA 1.425 64.076 63.100 -0.748 0.000 0.848 896 P CB 0.032 31.204 31.700 -0.881 0.000 0.787 897 M N -0.675 118.728 119.600 -0.330 0.000 2.117 897 M HA -0.098 4.386 4.480 0.008 0.000 0.262 897 M C 2.089 178.295 176.300 -0.157 0.000 1.065 897 M CA 2.122 57.315 55.300 -0.178 0.000 1.114 897 M CB -1.266 31.261 32.600 -0.121 0.000 1.361 897 M HN -0.054 nan 8.290 nan 0.000 0.408 898 T N 0.305 114.732 114.554 -0.213 0.000 2.881 898 T HA -0.105 4.249 4.350 0.008 0.000 0.270 898 T C 1.764 176.351 174.700 -0.189 0.000 1.068 898 T CA 0.952 62.946 62.100 -0.176 0.000 1.131 898 T CB -0.043 68.693 68.868 -0.220 0.000 0.871 898 T HN 0.266 nan 8.240 nan 0.000 0.479 899 M N 0.785 120.249 119.600 -0.227 0.000 2.200 899 M HA 0.132 4.617 4.480 0.008 0.000 0.265 899 M C 2.728 178.946 176.300 -0.137 0.000 1.066 899 M CA 0.983 56.167 55.300 -0.193 0.000 1.127 899 M CB -1.167 31.366 32.600 -0.111 0.000 1.379 899 M HN 0.313 nan 8.290 nan 0.000 0.420 900 A N 0.072 122.828 122.820 -0.106 0.000 1.855 900 A HA -0.147 4.178 4.320 0.008 0.000 0.215 900 A C 2.155 179.711 177.584 -0.048 0.000 1.191 900 A CA 1.226 53.222 52.037 -0.069 0.000 0.613 900 A CB -0.953 18.016 19.000 -0.051 0.000 0.829 900 A HN 0.399 nan 8.150 nan 0.000 0.442 901 L N 0.218 121.429 121.223 -0.020 0.000 2.012 901 L HA -0.138 4.207 4.340 0.008 0.000 0.210 901 L C 2.551 179.438 176.870 0.029 0.000 1.073 901 L CA 2.590 57.455 54.840 0.041 0.000 0.748 901 L CB -0.656 41.471 42.059 0.114 0.000 0.891 901 L HN 0.313 nan 8.230 nan 0.000 0.431 902 S N -1.144 114.569 115.700 0.023 0.000 2.370 902 S HA -0.190 4.285 4.470 0.008 0.000 0.226 902 S C 1.950 176.521 174.600 -0.049 0.000 1.033 902 S CA 1.508 59.703 58.200 -0.008 0.000 1.011 902 S CB -0.513 62.501 63.200 -0.311 0.000 0.852 902 S HN 0.364 nan 8.310 nan 0.000 0.457 903 V N 1.728 121.596 119.914 -0.078 0.000 2.307 903 V HA -0.121 4.004 4.120 0.008 0.000 0.245 903 V C 2.237 178.306 176.094 -0.042 0.000 1.045 903 V CA 1.484 63.746 62.300 -0.063 0.000 1.024 903 V CB -0.715 31.046 31.823 -0.103 0.000 0.651 903 V HN 0.353 nan 8.190 nan 0.000 0.449 904 L N 0.266 121.462 121.223 -0.045 0.000 1.990 904 L HA -0.159 4.186 4.340 0.008 0.000 0.213 904 L C 2.400 179.251 176.870 -0.032 0.000 1.072 904 L CA 2.061 56.881 54.840 -0.034 0.000 0.755 904 L CB -0.698 41.349 42.059 -0.020 0.000 0.889 904 L HN 0.137 nan 8.230 nan 0.000 0.432 905 V N -0.614 119.262 119.914 -0.064 0.000 2.287 905 V HA -0.334 3.791 4.120 0.008 0.000 0.248 905 V C 2.470 178.537 176.094 -0.044 0.000 1.053 905 V CA 2.329 64.567 62.300 -0.105 0.000 1.027 905 V CB -1.236 30.375 31.823 -0.353 0.000 0.646 905 V HN 0.591 nan 8.190 nan 0.000 0.447 906 T N 0.146 114.699 114.554 -0.002 0.000 2.746 906 T HA -0.101 4.254 4.350 0.008 0.000 0.267 906 T C 1.834 176.569 174.700 0.059 0.000 1.039 906 T CA 1.674 63.809 62.100 0.059 0.000 1.142 906 T CB -0.263 68.681 68.868 0.128 0.000 0.866 906 T HN 0.334 nan 8.240 nan 0.000 0.444 907 I N 0.942 121.543 120.570 0.051 0.000 2.179 907 I HA -0.149 4.025 4.170 0.008 0.000 0.242 907 I C 2.769 178.937 176.117 0.086 0.000 1.088 907 I CA 1.122 62.467 61.300 0.075 0.000 1.357 907 I CB -0.338 37.700 38.000 0.063 0.000 1.051 907 I HN 0.145 nan 8.210 nan 0.000 0.409 908 E N 0.558 120.798 120.200 0.068 0.000 2.058 908 E HA -0.230 4.124 4.350 0.008 0.000 0.194 908 E C 2.190 178.913 176.600 0.205 0.000 0.997 908 E CA 1.361 57.834 56.400 0.122 0.000 0.801 908 E CB -0.372 29.361 29.700 0.054 0.000 0.746 908 E HN 0.386 nan 8.360 nan 0.000 0.450 909 M N 0.024 119.693 119.600 0.114 0.000 2.202 909 M HA -0.157 4.327 4.480 0.008 0.000 0.262 909 M C 2.453 178.791 176.300 0.063 0.000 1.063 909 M CA 0.927 56.272 55.300 0.075 0.000 1.097 909 M CB -1.341 31.276 32.600 0.029 0.000 1.382 909 M HN 0.175 nan 8.290 nan 0.000 0.413 910 C N -0.105 119.242 119.300 0.078 0.000 2.486 910 C HA -0.045 4.420 4.460 0.008 0.000 0.279 910 C C 2.453 177.490 174.990 0.078 0.000 1.302 910 C CA 0.736 59.792 59.018 0.065 0.000 1.720 910 C CB -1.271 26.512 27.740 0.070 0.000 2.030 910 C HN 0.575 nan 8.230 nan 0.000 0.490 911 N N 0.968 119.752 118.700 0.140 0.000 2.512 911 N HA 0.007 4.751 4.740 0.008 0.000 0.183 911 N C 1.499 177.115 175.510 0.176 0.000 1.073 911 N CA 1.044 54.210 53.050 0.193 0.000 0.911 911 N CB -0.073 38.565 38.487 0.252 0.000 0.964 911 N HN 0.486 nan 8.380 nan 0.000 0.447 912 A N -0.164 122.691 122.820 0.059 0.000 1.930 912 A HA 0.063 4.387 4.320 0.008 0.000 0.215 912 A C 2.025 179.504 177.584 -0.175 0.000 1.176 912 A CA 0.621 52.477 52.037 -0.302 0.000 0.632 912 A CB -0.386 18.447 19.000 -0.278 0.000 0.819 912 A HN 0.315 nan 8.150 nan 0.000 0.445 913 L N -0.695 120.488 121.223 -0.067 0.000 2.313 913 L HA -0.054 4.290 4.340 0.008 0.000 0.214 913 L C 1.957 178.802 176.870 -0.042 0.000 1.119 913 L CA 0.877 55.685 54.840 -0.054 0.000 0.809 913 L CB -0.442 41.599 42.059 -0.030 0.000 0.933 913 L HN 0.466 nan 8.230 nan 0.000 0.449 914 N N -0.998 117.696 118.700 -0.010 0.000 2.463 914 N HA -0.060 4.684 4.740 0.008 0.000 0.181 914 N C 1.499 177.019 175.510 0.017 0.000 1.078 914 N CA 0.234 53.292 53.050 0.012 0.000 0.902 914 N CB 0.286 38.802 38.487 0.049 0.000 0.970 914 N HN 0.127 nan 8.380 nan 0.000 0.451 915 S N 0.383 116.077 115.700 -0.010 0.000 2.548 915 S HA 0.170 4.645 4.470 0.008 0.000 0.215 915 S C 1.685 176.258 174.600 -0.045 0.000 0.976 915 S CA -0.096 58.097 58.200 -0.012 0.000 0.908 915 S CB 0.238 63.394 63.200 -0.074 0.000 0.781 915 S HN 0.280 nan 8.310 nan 0.000 0.519 916 L N 0.712 121.901 121.223 -0.057 0.000 2.127 916 L HA -0.018 4.326 4.340 0.008 0.000 0.211 916 L C 1.212 178.057 176.870 -0.042 0.000 1.089 916 L CA 0.753 55.561 54.840 -0.053 0.000 0.757 916 L CB -0.048 41.973 42.059 -0.063 0.000 0.899 916 L HN 0.228 nan 8.230 nan 0.000 0.434 917 S N -2.209 113.470 115.700 -0.035 0.000 2.618 917 S HA 0.180 4.655 4.470 0.008 0.000 0.277 917 S C 0.431 175.021 174.600 -0.016 0.000 1.138 917 S CA -0.758 57.426 58.200 -0.028 0.000 0.844 917 S CB 2.052 65.234 63.200 -0.030 0.000 1.127 917 S HN 0.190 nan 8.310 nan 0.000 0.474 918 E N 1.261 121.452 120.200 -0.014 0.000 2.057 918 E HA 0.107 4.462 4.350 0.008 0.000 0.190 918 E C 0.054 176.655 176.600 0.002 0.000 0.969 918 E CA 0.825 57.220 56.400 -0.010 0.000 0.812 918 E CB 0.038 29.733 29.700 -0.009 0.000 0.777 918 E HN 0.670 nan 8.360 nan 0.000 0.455 919 N N 0.295 118.999 118.700 0.007 0.000 2.433 919 N HA 0.101 4.846 4.740 0.008 0.000 0.270 919 N C -1.420 174.097 175.510 0.013 0.000 1.354 919 N CA -0.097 52.966 53.050 0.022 0.000 0.889 919 N CB 1.194 39.691 38.487 0.017 0.000 1.285 919 N HN -0.033 nan 8.380 nan 0.000 0.503 920 Q N 0.220 120.023 119.800 0.006 0.000 2.331 920 Q HA 0.317 4.662 4.340 0.008 0.000 0.267 920 Q C -0.401 175.600 176.000 0.002 0.000 1.006 920 Q CA -0.327 55.477 55.803 0.001 0.000 0.818 920 Q CB 2.053 30.781 28.738 -0.017 0.000 1.276 920 Q HN 0.109 nan 8.270 nan 0.000 0.450 921 S N 1.411 117.123 115.700 0.019 0.000 2.572 921 S HA 0.089 4.564 4.470 0.008 0.000 0.279 921 S C 1.244 175.822 174.600 -0.035 0.000 1.341 921 S CA -0.430 57.777 58.200 0.012 0.000 1.043 921 S CB 0.380 63.606 63.200 0.044 0.000 0.887 921 S HN 0.509 nan 8.310 nan 0.000 0.516 922 L N 4.404 125.594 121.223 -0.055 0.000 2.349 922 L HA -0.069 4.275 4.340 0.008 0.000 0.220 922 L C 2.286 179.073 176.870 -0.139 0.000 1.130 922 L CA 1.279 56.052 54.840 -0.112 0.000 0.791 922 L CB -0.521 41.475 42.059 -0.104 0.000 0.918 922 L HN 0.673 nan 8.230 nan 0.000 0.444 923 M N -1.419 118.134 119.600 -0.078 0.000 2.319 923 M HA -0.126 4.359 4.480 0.008 0.000 0.265 923 M C 2.356 178.616 176.300 -0.065 0.000 1.068 923 M CA 1.270 56.533 55.300 -0.062 0.000 1.118 923 M CB -0.775 31.813 32.600 -0.019 0.000 1.395 923 M HN 0.159 nan 8.290 nan 0.000 0.435 924 R N 0.172 120.637 120.500 -0.058 0.000 2.064 924 R HA 0.146 4.490 4.340 0.008 0.000 0.221 924 R C 0.897 177.142 176.300 -0.092 0.000 1.136 924 R CA 0.850 56.921 56.100 -0.048 0.000 0.980 924 R CB 0.139 30.425 30.300 -0.022 0.000 0.876 924 R HN 0.234 nan 8.270 nan 0.000 0.437 925 M N 2.246 121.772 119.600 -0.124 0.000 2.158 925 M HA 0.411 4.895 4.480 0.008 0.000 0.326 925 M C -2.377 173.748 176.300 -0.292 0.000 1.014 925 M CA -2.497 52.701 55.300 -0.170 0.000 0.961 925 M CB 1.488 34.022 32.600 -0.110 0.000 1.327 925 M HN -0.122 nan 8.290 nan 0.000 0.393 926 P HA -0.012 nan 4.420 nan 0.000 0.268 926 P C -2.322 174.551 177.300 -0.711 0.000 1.189 926 P CA -0.485 62.061 63.100 -0.923 0.000 0.771 926 P CB 0.082 30.592 31.700 -1.982 0.000 0.822 927 P HA -0.113 nan 4.420 nan 0.000 0.222 927 P C 0.445 177.694 177.300 -0.084 0.000 1.147 927 P CA 1.088 64.067 63.100 -0.202 0.000 0.790 927 P CB -0.308 31.350 31.700 -0.069 0.000 0.780 928 W N -2.227 119.072 121.300 -0.002 0.000 3.345 928 W HA 0.225 4.890 4.660 0.008 0.000 0.282 928 W C 0.792 177.313 176.519 0.003 0.000 1.302 928 W CA -0.134 57.206 57.345 -0.007 0.000 1.724 928 W CB -1.679 27.770 29.460 -0.017 0.000 1.104 928 W HN -0.329 nan 8.180 nan 0.000 0.694 929 V N 1.747 121.616 119.914 -0.076 0.000 2.626 929 V HA -0.198 3.927 4.120 0.008 0.000 0.252 929 V C 0.973 177.121 176.094 0.089 0.000 1.067 929 V CA 1.745 64.046 62.300 0.002 0.000 1.081 929 V CB -0.766 31.003 31.823 -0.090 0.000 0.686 929 V HN 0.352 nan 8.190 nan 0.000 0.468 930 N N 0.719 119.476 118.700 0.095 0.000 2.776 930 N HA 0.174 4.919 4.740 0.008 0.000 0.245 930 N C 0.770 176.373 175.510 0.156 0.000 1.121 930 N CA -0.267 52.880 53.050 0.163 0.000 0.852 930 N CB 0.926 39.503 38.487 0.150 0.000 1.142 930 N HN 0.012 nan 8.380 nan 0.000 0.514 931 I N 1.079 121.709 120.570 0.100 0.000 2.248 931 I HA -0.241 3.934 4.170 0.008 0.000 0.248 931 I C 1.379 177.443 176.117 -0.088 0.000 1.107 931 I CA 1.220 62.488 61.300 -0.054 0.000 1.373 931 I CB -0.867 36.989 38.000 -0.240 0.000 1.055 931 I HN 0.531 nan 8.210 nan 0.000 0.418 932 W N 0.488 121.829 121.300 0.068 0.000 2.421 932 W HA -0.138 4.526 4.660 0.007 0.000 0.270 932 W C 2.408 178.970 176.519 0.072 0.000 1.233 932 W CA 0.176 57.571 57.345 0.083 0.000 1.226 932 W CB -0.727 28.828 29.460 0.159 0.000 1.121 932 W HN 0.096 nan 8.180 nan 0.000 0.579 933 L N 0.103 121.472 121.223 0.244 0.000 2.072 933 L HA -0.066 4.278 4.340 0.008 0.000 0.205 933 L C 2.074 178.984 176.870 0.066 0.000 1.079 933 L CA 1.783 56.696 54.840 0.121 0.000 0.752 933 L CB -0.939 41.160 42.059 0.066 0.000 0.906 933 L HN -0.016 nan 8.230 nan 0.000 0.436 934 L N -0.649 120.607 121.223 0.057 0.000 1.976 934 L HA -0.128 4.217 4.340 0.008 0.000 0.209 934 L C 2.523 179.401 176.870 0.012 0.000 1.071 934 L CA 1.460 56.318 54.840 0.029 0.000 0.746 934 L CB -1.625 40.453 42.059 0.032 0.000 0.890 934 L HN 0.430 nan 8.230 nan 0.000 0.432 935 G N -1.190 107.611 108.800 0.001 0.000 2.479 935 G HA2 -0.282 3.682 3.960 0.008 0.000 0.220 935 G HA3 -0.282 3.682 3.960 0.008 0.000 0.220 935 G C 1.803 176.722 174.900 0.032 0.000 1.115 935 G CA 1.101 46.198 45.100 -0.006 0.000 0.757 935 G HN 0.379 nan 8.290 nan 0.000 0.560 936 S N 0.120 115.856 115.700 0.060 0.000 2.345 936 S HA -0.005 4.469 4.470 0.008 0.000 0.219 936 S C 2.397 177.004 174.600 0.012 0.000 1.031 936 S CA 0.814 59.046 58.200 0.054 0.000 0.984 936 S CB -0.250 62.989 63.200 0.065 0.000 0.874 936 S HN 0.353 nan 8.310 nan 0.000 0.451 937 I N 1.327 121.898 120.570 0.001 0.000 2.286 937 I HA -0.207 3.967 4.170 0.008 0.000 0.248 937 I C 2.488 178.582 176.117 -0.039 0.000 1.115 937 I CA 0.885 62.175 61.300 -0.017 0.000 1.392 937 I CB -0.602 37.389 38.000 -0.015 0.000 1.065 937 I HN 0.422 nan 8.210 nan 0.000 0.418 938 C N 0.279 119.558 119.300 -0.035 0.000 2.425 938 C HA -0.123 4.342 4.460 0.008 0.000 0.277 938 C C 2.700 177.656 174.990 -0.058 0.000 1.280 938 C CA 0.301 59.285 59.018 -0.056 0.000 1.744 938 C CB -0.919 26.796 27.740 -0.041 0.000 1.989 938 C HN 0.495 nan 8.230 nan 0.000 0.491 939 L N 0.813 122.020 121.223 -0.027 0.000 2.217 939 L HA -0.024 4.321 4.340 0.008 0.000 0.211 939 L C 2.435 179.298 176.870 -0.012 0.000 1.107 939 L CA 1.725 56.558 54.840 -0.012 0.000 0.783 939 L CB -0.570 41.495 42.059 0.011 0.000 0.919 939 L HN 0.194 nan 8.230 nan 0.000 0.442 940 S N -1.087 114.600 115.700 -0.023 0.000 2.377 940 S HA -0.059 4.415 4.470 0.008 0.000 0.223 940 S C 1.862 176.449 174.600 -0.023 0.000 1.030 940 S CA 1.221 59.415 58.200 -0.009 0.000 0.970 940 S CB -0.124 63.065 63.200 -0.018 0.000 0.830 940 S HN 0.339 nan 8.310 nan 0.000 0.473 941 M N 1.870 121.397 119.600 -0.122 0.000 2.132 941 M HA -0.015 4.469 4.480 0.008 0.000 0.263 941 M C 2.459 178.501 176.300 -0.430 0.000 1.065 941 M CA 1.353 56.474 55.300 -0.298 0.000 1.122 941 M CB -1.886 30.482 32.600 -0.386 0.000 1.365 941 M HN 0.456 nan 8.290 nan 0.000 0.411 942 S N 0.297 115.846 115.700 -0.251 0.000 2.419 942 S HA -0.067 4.408 4.470 0.008 0.000 0.233 942 S C 1.913 176.501 174.600 -0.021 0.000 1.016 942 S CA 0.901 59.012 58.200 -0.149 0.000 0.974 942 S CB -0.765 62.402 63.200 -0.055 0.000 0.786 942 S HN 0.513 nan 8.310 nan 0.000 0.492 943 L N 0.012 121.261 121.223 0.044 0.000 2.509 943 L HA 0.172 4.516 4.340 0.008 0.000 0.222 943 L C 2.584 179.586 176.870 0.218 0.000 1.123 943 L CA 0.804 55.748 54.840 0.173 0.000 0.856 943 L CB -0.357 41.862 42.059 0.266 0.000 0.985 943 L HN 0.374 nan 8.230 nan 0.000 0.456 944 H N -0.158 118.935 119.070 0.037 0.000 2.384 944 H HA -0.032 4.529 4.556 0.008 0.000 0.300 944 H C 2.019 177.467 175.328 0.200 0.000 1.057 944 H CA 1.397 57.492 56.048 0.078 0.000 1.370 944 H CB -0.004 29.785 29.762 0.045 0.000 1.417 944 H HN 0.181 nan 8.280 nan 0.000 0.527 945 F N -0.842 119.136 119.950 0.045 0.000 2.234 945 F HA -0.130 4.401 4.527 0.007 0.000 0.299 945 F C 2.146 177.919 175.800 -0.045 0.000 1.087 945 F CA 0.080 58.049 58.000 -0.052 0.000 1.340 945 F CB 0.053 38.934 39.000 -0.198 0.000 1.031 945 F HN 0.202 nan 8.300 nan 0.000 0.500 946 L N 0.312 121.623 121.223 0.146 0.000 2.141 946 L HA -0.094 4.250 4.340 0.008 0.000 0.209 946 L C 1.811 178.677 176.870 -0.007 0.000 1.094 946 L CA 1.367 56.250 54.840 0.072 0.000 0.763 946 L CB -0.374 41.725 42.059 0.065 0.000 0.908 946 L HN 0.112 nan 8.230 nan 0.000 0.437 947 I N -1.414 119.075 120.570 -0.134 0.000 3.564 947 I HA -0.111 4.064 4.170 0.008 0.000 0.294 947 I C 1.231 177.205 176.117 -0.239 0.000 1.289 947 I CA 0.396 61.474 61.300 -0.370 0.000 1.325 947 I CB 0.148 37.644 38.000 -0.841 0.000 1.039 947 I HN 0.286 nan 8.210 nan 0.000 0.474 948 L N -1.560 119.639 121.223 -0.039 0.000 2.600 948 L HA 0.041 4.386 4.340 0.008 0.000 0.213 948 L C 1.755 178.667 176.870 0.070 0.000 1.045 948 L CA 0.154 55.005 54.840 0.019 0.000 0.863 948 L CB -0.391 41.739 42.059 0.118 0.000 1.189 948 L HN 0.078 nan 8.230 nan 0.000 0.484 949 Y N 0.420 120.695 120.300 -0.040 0.000 2.231 949 Y HA 0.030 4.584 4.550 0.007 0.000 0.294 949 Y C 1.405 177.292 175.900 -0.023 0.000 1.120 949 Y CA -0.102 57.981 58.100 -0.029 0.000 1.141 949 Y CB -0.389 38.057 38.460 -0.023 0.000 1.022 949 Y HN -0.265 nan 8.280 nan 0.000 0.523 950 V N 3.054 123.056 119.914 0.148 0.000 2.399 950 V HA -0.125 3.999 4.120 0.008 0.000 0.245 950 V C 1.175 177.292 176.094 0.039 0.000 1.089 950 V CA 0.497 62.843 62.300 0.076 0.000 1.196 950 V CB -0.916 30.941 31.823 0.057 0.000 1.221 950 V HN 0.363 nan 8.190 nan 0.000 0.482 951 D N 6.378 126.793 120.400 0.025 0.000 2.558 951 D HA -0.231 4.413 4.640 0.008 0.000 0.190 951 D C -0.616 175.692 176.300 0.013 0.000 1.047 951 D CA 2.464 56.468 54.000 0.006 0.000 0.880 951 D CB -0.651 40.150 40.800 0.002 0.000 0.926 951 D HN 0.465 nan 8.370 nan 0.000 0.465 952 P HA -0.065 nan 4.420 nan 0.000 0.229 952 P C 0.897 178.225 177.300 0.047 0.000 1.150 952 P CA 0.921 64.037 63.100 0.027 0.000 0.765 952 P CB -0.008 31.710 31.700 0.030 0.000 0.783 953 L N -0.692 120.564 121.223 0.054 0.000 2.453 953 L HA 0.190 4.534 4.340 0.008 0.000 0.190 953 L C -0.614 176.349 176.870 0.155 0.000 1.093 953 L CA 0.393 55.300 54.840 0.113 0.000 0.834 953 L CB -1.729 40.334 42.059 0.008 0.000 1.090 953 L HN -0.104 nan 8.230 nan 0.000 0.489 954 P HA -0.236 nan 4.420 nan 0.000 0.221 954 P C 1.666 178.989 177.300 0.038 0.000 1.145 954 P CA 1.507 64.622 63.100 0.025 0.000 0.795 954 P CB -0.031 31.645 31.700 -0.040 0.000 0.775 955 M N -0.624 118.992 119.600 0.027 0.000 2.349 955 M HA -0.023 4.462 4.480 0.008 0.000 0.266 955 M C 1.933 178.231 176.300 -0.003 0.000 1.076 955 M CA 1.160 56.462 55.300 0.004 0.000 1.126 955 M CB -0.767 31.830 32.600 -0.006 0.000 1.392 955 M HN -0.096 nan 8.290 nan 0.000 0.440 956 I N -1.166 119.408 120.570 0.006 0.000 2.339 956 I HA -0.199 3.976 4.170 0.008 0.000 0.245 956 I C 1.281 177.286 176.117 -0.186 0.000 1.096 956 I CA 0.827 62.062 61.300 -0.108 0.000 1.408 956 I CB -0.431 37.459 38.000 -0.182 0.000 1.092 956 I HN 0.029 nan 8.210 nan 0.000 0.423 957 F N 1.247 121.150 119.950 -0.079 0.000 2.804 957 F HA 0.117 4.648 4.527 0.007 0.000 0.303 957 F C 1.052 176.812 175.800 -0.067 0.000 1.154 957 F CA 0.129 58.081 58.000 -0.081 0.000 1.401 957 F CB -0.484 38.425 39.000 -0.152 0.000 1.106 957 F HN -0.043 nan 8.300 nan 0.000 0.568 958 K N 1.357 121.796 120.400 0.065 0.000 3.419 958 K HA -0.201 4.123 4.320 0.008 0.000 0.272 958 K C -0.975 175.622 176.600 -0.005 0.000 0.973 958 K CA 0.051 56.347 56.287 0.015 0.000 0.749 958 K CB -1.194 31.310 32.500 0.007 0.000 1.403 958 K HN 0.361 nan 8.250 nan 0.000 0.456 959 L N 0.118 121.332 121.223 -0.014 0.000 2.235 959 L HA 0.638 4.982 4.340 0.008 0.000 0.260 959 L C -0.460 176.347 176.870 -0.105 0.000 1.025 959 L CA -1.156 53.642 54.840 -0.070 0.000 0.836 959 L CB 2.003 44.018 42.059 -0.073 0.000 1.395 959 L HN 0.181 nan 8.230 nan 0.000 0.443 960 K N 0.545 120.859 120.400 -0.142 0.000 2.592 960 K HA 0.497 4.822 4.320 0.008 0.000 0.265 960 K C -1.073 175.427 176.600 -0.168 0.000 1.006 960 K CA -0.446 55.746 56.287 -0.157 0.000 0.907 960 K CB 1.619 34.019 32.500 -0.168 0.000 1.309 960 K HN 0.675 nan 8.250 nan 0.000 0.452 961 A N 3.777 126.485 122.820 -0.187 0.000 2.615 961 A HA 0.207 4.532 4.320 0.008 0.000 0.230 961 A C -0.003 177.521 177.584 -0.100 0.000 1.062 961 A CA 0.272 52.212 52.037 -0.162 0.000 0.758 961 A CB -0.295 18.409 19.000 -0.494 0.000 0.995 961 A HN 0.650 nan 8.150 nan 0.000 0.511 962 L N -0.332 120.895 121.223 0.007 0.000 2.354 962 L HA 0.760 5.105 4.340 0.008 0.000 0.269 962 L C -0.242 176.725 176.870 0.162 0.000 1.005 962 L CA -1.226 53.608 54.840 -0.009 0.000 0.819 962 L CB 1.713 43.643 42.059 -0.215 0.000 1.311 962 L HN 0.787 nan 8.230 nan 0.000 0.423 963 D N 1.416 121.902 120.400 0.143 0.000 2.393 963 D HA 0.167 4.812 4.640 0.008 0.000 0.246 963 D C 1.087 177.556 176.300 0.282 0.000 1.275 963 D CA -0.422 53.691 54.000 0.188 0.000 0.979 963 D CB 0.738 41.617 40.800 0.131 0.000 1.101 963 D HN 0.600 nan 8.370 nan 0.000 0.505 964 L N -1.069 120.287 121.223 0.221 0.000 1.989 964 L HA -0.187 4.157 4.340 0.008 0.000 0.211 964 L C 2.485 179.486 176.870 0.218 0.000 1.071 964 L CA 1.877 56.849 54.840 0.219 0.000 0.749 964 L CB -1.125 41.011 42.059 0.128 0.000 0.890 964 L HN 0.536 nan 8.230 nan 0.000 0.431 965 T N -0.961 113.696 114.554 0.171 0.000 2.737 965 T HA -0.205 4.150 4.350 0.008 0.000 0.269 965 T C 1.963 176.763 174.700 0.166 0.000 1.040 965 T CA 1.153 63.349 62.100 0.159 0.000 1.142 965 T CB -0.171 68.791 68.868 0.157 0.000 0.861 965 T HN 0.316 nan 8.240 nan 0.000 0.456 966 Q N -0.153 119.752 119.800 0.175 0.000 2.020 966 Q HA -0.081 4.264 4.340 0.008 0.000 0.202 966 Q C 2.159 178.155 176.000 -0.007 0.000 0.982 966 Q CA 1.420 57.283 55.803 0.100 0.000 0.838 966 Q CB -0.564 28.205 28.738 0.052 0.000 0.899 966 Q HN 0.677 nan 8.270 nan 0.000 0.423 967 W N 1.226 122.567 121.300 0.068 0.000 2.363 967 W HA -0.093 4.572 4.660 0.008 0.000 0.296 967 W C 2.139 178.674 176.519 0.027 0.000 1.212 967 W CA 0.562 57.944 57.345 0.062 0.000 1.260 967 W CB -0.323 29.191 29.460 0.091 0.000 1.131 967 W HN 0.087 nan 8.180 nan 0.000 0.530 968 L N -0.441 120.926 121.223 0.240 0.000 2.265 968 L HA -0.233 4.112 4.340 0.008 0.000 0.215 968 L C 2.302 179.192 176.870 0.034 0.000 1.117 968 L CA 0.940 55.860 54.840 0.133 0.000 0.782 968 L CB -0.683 41.440 42.059 0.106 0.000 0.914 968 L HN 0.104 nan 8.230 nan 0.000 0.441 969 M N -0.329 119.241 119.600 -0.050 0.000 2.134 969 M HA -0.076 4.408 4.480 0.008 0.000 0.262 969 M C 2.112 178.293 176.300 -0.199 0.000 1.076 969 M CA 1.712 56.871 55.300 -0.235 0.000 1.143 969 M CB -0.259 32.027 32.600 -0.523 0.000 1.346 969 M HN -0.087 nan 8.290 nan 0.000 0.421 970 V N 0.932 120.759 119.914 -0.145 0.000 2.380 970 V HA -0.275 3.850 4.120 0.008 0.000 0.251 970 V C 2.296 178.398 176.094 0.013 0.000 1.063 970 V CA 1.755 63.998 62.300 -0.095 0.000 1.055 970 V CB -1.109 30.653 31.823 -0.102 0.000 0.657 970 V HN 0.551 nan 8.190 nan 0.000 0.455 971 L N -0.556 120.719 121.223 0.085 0.000 2.622 971 L HA -0.003 4.341 4.340 0.008 0.000 0.233 971 L C 1.997 178.894 176.870 0.046 0.000 1.156 971 L CA 0.752 55.651 54.840 0.098 0.000 0.866 971 L CB -0.427 41.712 42.059 0.132 0.000 0.980 971 L HN 0.260 nan 8.230 nan 0.000 0.448 972 K N -0.092 120.306 120.400 -0.003 0.000 2.355 972 K HA 0.311 4.636 4.320 0.008 0.000 0.198 972 K C 1.368 177.963 176.600 -0.009 0.000 1.039 972 K CA 0.424 56.702 56.287 -0.015 0.000 1.075 972 K CB 1.122 33.588 32.500 -0.057 0.000 0.870 972 K HN 0.339 nan 8.250 nan 0.000 0.540 973 I N -0.803 119.756 120.570 -0.018 0.000 4.403 973 I HA 0.050 4.224 4.170 0.008 0.000 0.331 973 I C 1.295 177.450 176.117 0.062 0.000 1.327 973 I CA 0.193 61.487 61.300 -0.010 0.000 1.175 973 I CB 0.739 38.656 38.000 -0.138 0.000 1.165 973 I HN -0.163 nan 8.210 nan 0.000 0.413 974 S N 0.781 116.525 115.700 0.074 0.000 2.527 974 S HA 0.177 4.651 4.470 0.008 0.000 0.225 974 S C 1.823 176.508 174.600 0.141 0.000 1.046 974 S CA 0.159 58.428 58.200 0.115 0.000 0.929 974 S CB 0.090 63.335 63.200 0.075 0.000 0.851 974 S HN 0.139 nan 8.310 nan 0.000 0.565 975 L N 2.796 124.078 121.223 0.098 0.000 2.051 975 L HA -0.081 4.264 4.340 0.008 0.000 0.214 975 L C -0.753 176.150 176.870 0.055 0.000 1.076 975 L CA 1.934 56.817 54.840 0.072 0.000 0.758 975 L CB -2.604 39.489 42.059 0.057 0.000 0.890 975 L HN 0.278 nan 8.230 nan 0.000 0.433 976 P HA -0.115 nan 4.420 nan 0.000 0.228 976 P C 1.926 179.173 177.300 -0.088 0.000 1.151 976 P CA 0.802 63.903 63.100 0.001 0.000 0.770 976 P CB -0.002 31.715 31.700 0.029 0.000 0.786 977 V N -0.014 119.887 119.914 -0.021 0.000 2.515 977 V HA -0.189 3.935 4.120 0.008 0.000 0.250 977 V C 2.379 178.428 176.094 -0.076 0.000 1.058 977 V CA 1.202 63.435 62.300 -0.110 0.000 1.064 977 V CB -0.805 31.097 31.823 0.132 0.000 0.675 977 V HN -0.047 nan 8.190 nan 0.000 0.461 978 I N 0.397 120.953 120.570 -0.022 0.000 2.179 978 I HA -0.128 4.046 4.170 0.008 0.000 0.242 978 I C 2.595 178.688 176.117 -0.039 0.000 1.088 978 I CA 1.682 62.973 61.300 -0.016 0.000 1.357 978 I CB -1.058 36.942 38.000 0.001 0.000 1.051 978 I HN 0.413 nan 8.210 nan 0.000 0.409 979 G N 1.065 109.833 108.800 -0.053 0.000 2.432 979 G HA2 -0.239 3.726 3.960 0.008 0.000 0.219 979 G HA3 -0.239 3.726 3.960 0.008 0.000 0.219 979 G C 1.638 176.490 174.900 -0.080 0.000 1.135 979 G CA 0.621 45.684 45.100 -0.061 0.000 0.767 979 G HN 0.258 nan 8.290 nan 0.000 0.550 980 L N 1.137 122.283 121.223 -0.129 0.000 1.955 980 L HA -0.054 4.290 4.340 0.008 0.000 0.213 980 L C 2.179 178.989 176.870 -0.099 0.000 1.072 980 L CA 2.897 57.638 54.840 -0.165 0.000 0.755 980 L CB -0.958 40.910 42.059 -0.320 0.000 0.888 980 L HN 0.219 nan 8.230 nan 0.000 0.432 981 D N -1.118 119.230 120.400 -0.087 0.000 2.178 981 D HA -0.226 4.418 4.640 0.008 0.000 0.201 981 D C 2.078 178.383 176.300 0.009 0.000 0.980 981 D CA 1.001 54.974 54.000 -0.046 0.000 0.842 981 D CB 0.009 40.789 40.800 -0.033 0.000 0.948 981 D HN 0.496 nan 8.370 nan 0.000 0.472 982 E N -0.396 119.804 120.200 0.001 0.000 2.160 982 E HA -0.130 4.224 4.350 0.008 0.000 0.195 982 E C 1.841 178.481 176.600 0.066 0.000 0.991 982 E CA 0.760 57.175 56.400 0.024 0.000 0.810 982 E CB -0.058 29.636 29.700 -0.010 0.000 0.742 982 E HN 0.327 nan 8.360 nan 0.000 0.466 983 I N 0.068 120.667 120.570 0.049 0.000 2.277 983 I HA -0.186 3.989 4.170 0.008 0.000 0.243 983 I C 2.229 178.477 176.117 0.219 0.000 1.094 983 I CA 0.879 62.235 61.300 0.093 0.000 1.393 983 I CB -1.113 36.909 38.000 0.037 0.000 1.078 983 I HN 0.200 nan 8.210 nan 0.000 0.417 984 L N 0.506 121.857 121.223 0.214 0.000 2.081 984 L HA -0.243 4.101 4.340 0.008 0.000 0.212 984 L C 2.556 179.714 176.870 0.479 0.000 1.080 984 L CA 1.474 56.564 54.840 0.417 0.000 0.754 984 L CB -0.621 41.555 42.059 0.195 0.000 0.893 984 L HN 0.239 nan 8.230 nan 0.000 0.433 985 K N -0.690 119.880 120.400 0.283 0.000 2.025 985 K HA -0.176 4.148 4.320 0.008 0.000 0.207 985 K C 2.107 178.807 176.600 0.166 0.000 1.049 985 K CA 1.324 57.739 56.287 0.213 0.000 0.933 985 K CB -0.288 32.292 32.500 0.135 0.000 0.714 985 K HN 0.056 nan 8.250 nan 0.000 0.438 986 F N 2.100 122.074 119.950 0.040 0.000 2.154 986 F HA -0.191 4.340 4.527 0.007 0.000 0.301 986 F C 1.841 177.623 175.800 -0.029 0.000 1.087 986 F CA 1.348 59.350 58.000 0.003 0.000 1.274 986 F CB -0.121 38.883 39.000 0.006 0.000 1.009 986 F HN -0.073 nan 8.300 nan 0.000 0.485 987 I N -0.516 120.103 120.570 0.081 0.000 2.493 987 I HA -0.247 3.928 4.170 0.008 0.000 0.254 987 I C 2.510 178.405 176.117 -0.370 0.000 1.160 987 I CA 0.930 62.155 61.300 -0.125 0.000 1.445 987 I CB -0.902 37.037 38.000 -0.103 0.000 1.086 987 I HN 0.187 nan 8.210 nan 0.000 0.433 988 A N 2.081 124.667 122.820 -0.390 0.000 1.855 988 A HA -0.121 4.204 4.320 0.008 0.000 0.213 988 A C 2.248 179.671 177.584 -0.270 0.000 1.195 988 A CA 0.895 52.658 52.037 -0.457 0.000 0.610 988 A CB -0.476 18.343 19.000 -0.301 0.000 0.837 988 A HN 0.473 nan 8.150 nan 0.000 0.444 989 R N -0.646 119.727 120.500 -0.212 0.000 2.343 989 R HA 0.131 4.475 4.340 0.008 0.000 0.202 989 R C 0.321 176.471 176.300 -0.251 0.000 1.023 989 R CA 0.982 56.965 56.100 -0.196 0.000 1.084 989 R CB -0.260 29.944 30.300 -0.160 0.000 0.956 989 R HN 0.453 nan 8.270 nan 0.000 0.478 990 N N -0.388 118.145 118.700 -0.278 0.000 3.225 990 N HA -0.078 4.667 4.740 0.008 0.000 0.250 990 N C 0.765 176.189 175.510 -0.144 0.000 0.980 990 N CA 0.029 52.928 53.050 -0.252 0.000 1.117 990 N CB -0.503 37.741 38.487 -0.404 0.000 1.488 990 N HN 0.024 nan 8.380 nan 0.000 0.833 991 Y N 2.436 122.576 120.300 -0.266 0.000 2.497 991 Y HA 0.203 4.758 4.550 0.008 0.000 0.292 991 Y C 0.914 176.680 175.900 -0.224 0.000 1.137 991 Y CA 0.948 58.917 58.100 -0.218 0.000 1.285 991 Y CB -0.007 38.318 38.460 -0.224 0.000 0.991 991 Y HN -0.004 nan 8.280 nan 0.000 0.556 992 L N -1.300 119.776 121.223 -0.246 0.000 2.464 992 L HA 0.224 4.569 4.340 0.008 0.000 0.264 992 L C 1.778 178.528 176.870 -0.201 0.000 1.062 992 L CA -0.539 54.142 54.840 -0.266 0.000 0.935 992 L CB 0.485 42.372 42.059 -0.287 0.000 1.603 992 L HN -0.197 nan 8.230 nan 0.000 0.528 993 E N -0.221 119.886 120.200 -0.156 0.000 2.051 993 E HA 0.033 4.388 4.350 0.008 0.000 0.192 993 E C 0.457 176.993 176.600 -0.106 0.000 0.991 993 E CA 1.022 57.353 56.400 -0.115 0.000 0.799 993 E CB 0.173 29.825 29.700 -0.081 0.000 0.748 993 E HN 0.727 nan 8.360 nan 0.000 0.449 994 G N 0.000 108.737 108.800 -0.105 0.000 5.446 994 G HA2 0.000 3.965 3.960 0.008 0.000 0.244 994 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 994 G CA 0.000 45.044 45.100 -0.093 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925