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 2ear_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.161 176.300 -0.232 0.000 1.140 1 M CA 0.000 55.081 55.300 -0.365 0.000 0.988 1 M CB 0.000 32.348 32.600 -0.420 0.000 1.302 2 E N 3.238 123.308 120.200 -0.217 0.000 1.984 2 E HA -0.055 4.312 4.350 0.028 0.000 0.203 2 E C 0.717 177.250 176.600 -0.113 0.000 0.998 2 E CA 1.300 57.625 56.400 -0.125 0.000 0.865 2 E CB -0.172 29.471 29.700 -0.096 0.000 0.806 2 E HN 0.717 nan 8.360 nan 0.000 0.504 3 A N 0.659 123.380 122.820 -0.165 0.000 3.117 3 A HA 0.524 4.861 4.320 0.028 0.000 0.255 3 A C 1.455 178.843 177.584 -0.326 0.000 1.583 3 A CA 0.474 52.367 52.037 -0.240 0.000 1.234 3 A CB -0.624 18.202 19.000 -0.289 0.000 1.076 3 A HN 0.471 nan 8.150 nan 0.000 0.653 4 A N 0.855 123.564 122.820 -0.185 0.000 1.978 4 A HA -0.221 4.116 4.320 0.028 0.000 0.220 4 A C 1.980 179.496 177.584 -0.114 0.000 1.170 4 A CA 1.729 53.684 52.037 -0.137 0.000 0.636 4 A CB -0.927 18.041 19.000 -0.052 0.000 0.810 4 A HN 0.968 nan 8.150 nan 0.000 0.448 5 H N -0.257 118.793 119.070 -0.034 0.000 2.456 5 H HA -0.064 4.509 4.556 0.028 0.000 0.296 5 H C 1.693 177.007 175.328 -0.023 0.000 1.079 5 H CA 1.653 57.686 56.048 -0.024 0.000 1.322 5 H CB -0.497 29.264 29.762 -0.002 0.000 1.388 5 H HN 0.553 nan 8.280 nan 0.000 0.538 6 S N 0.051 115.416 115.700 -0.559 0.000 2.593 6 S HA 0.141 4.628 4.470 0.028 0.000 0.217 6 S C 0.595 175.102 174.600 -0.154 0.000 0.966 6 S CA -0.481 57.538 58.200 -0.301 0.000 0.914 6 S CB 0.347 63.307 63.200 -0.400 0.000 0.776 6 S HN 0.095 nan 8.310 nan 0.000 0.523 7 K N 2.597 122.914 120.400 -0.138 0.000 2.132 7 K HA 0.510 4.847 4.320 0.028 0.000 0.241 7 K C 0.257 176.836 176.600 -0.036 0.000 1.000 7 K CA -0.471 55.770 56.287 -0.077 0.000 0.911 7 K CB 1.161 33.614 32.500 -0.078 0.000 1.093 7 K HN 0.350 nan 8.250 nan 0.000 0.460 8 S N -1.278 114.412 115.700 -0.016 0.000 2.610 8 S HA 0.100 4.587 4.470 0.028 0.000 0.273 8 S C 1.278 175.884 174.600 0.010 0.000 1.274 8 S CA -0.141 58.057 58.200 -0.003 0.000 1.023 8 S CB 0.802 64.002 63.200 0.000 0.000 0.962 8 S HN 0.598 nan 8.310 nan 0.000 0.523 9 T N -0.076 114.485 114.554 0.012 0.000 2.760 9 T HA -0.216 4.150 4.350 0.028 0.000 0.269 9 T C 1.151 175.874 174.700 0.038 0.000 1.047 9 T CA 1.862 63.975 62.100 0.021 0.000 1.139 9 T CB -0.717 68.159 68.868 0.013 0.000 0.855 9 T HN 0.691 nan 8.240 nan 0.000 0.471 10 E N 1.631 121.850 120.200 0.031 0.000 1.998 10 E HA -0.037 4.330 4.350 0.028 0.000 0.195 10 E C 2.369 179.002 176.600 0.055 0.000 0.994 10 E CA 1.381 57.805 56.400 0.040 0.000 0.835 10 E CB -0.460 29.256 29.700 0.027 0.000 0.786 10 E HN 0.662 nan 8.360 nan 0.000 0.467 11 E N -0.161 120.064 120.200 0.041 0.000 2.236 11 E HA -0.302 4.065 4.350 0.028 0.000 0.205 11 E C 2.086 178.739 176.600 0.088 0.000 1.028 11 E CA 1.275 57.704 56.400 0.049 0.000 0.827 11 E CB -0.330 29.383 29.700 0.022 0.000 0.735 11 E HN 0.257 nan 8.360 nan 0.000 0.470 12 C N -0.044 119.307 119.300 0.085 0.000 2.486 12 C HA 0.001 4.478 4.460 0.028 0.000 0.279 12 C C 2.496 177.634 174.990 0.246 0.000 1.302 12 C CA 0.215 59.313 59.018 0.134 0.000 1.720 12 C CB -0.756 27.034 27.740 0.083 0.000 2.030 12 C HN 0.400 nan 8.230 nan 0.000 0.490 13 L N 0.629 121.959 121.223 0.179 0.000 2.093 13 L HA -0.075 4.282 4.340 0.028 0.000 0.208 13 L C 2.854 179.854 176.870 0.217 0.000 1.085 13 L CA 1.480 56.437 54.840 0.195 0.000 0.755 13 L CB -0.593 41.534 42.059 0.113 0.000 0.904 13 L HN 0.371 nan 8.230 nan 0.000 0.435 14 A N -0.667 122.246 122.820 0.155 0.000 1.902 14 A HA -0.307 4.030 4.320 0.028 0.000 0.217 14 A C 2.160 179.799 177.584 0.091 0.000 1.181 14 A CA 1.483 53.584 52.037 0.107 0.000 0.623 14 A CB -0.998 18.043 19.000 0.069 0.000 0.818 14 A HN 0.491 nan 8.150 nan 0.000 0.443 15 Y N -0.838 119.456 120.300 -0.010 0.000 2.228 15 Y HA -0.263 4.304 4.550 0.028 0.000 0.285 15 Y C 1.432 177.162 175.900 -0.284 0.000 1.178 15 Y CA 2.184 60.172 58.100 -0.186 0.000 1.202 15 Y CB -0.231 38.049 38.460 -0.300 0.000 0.974 15 Y HN 0.305 nan 8.280 nan 0.000 0.527 16 F N -0.825 119.198 119.950 0.122 0.000 2.724 16 F HA 0.350 4.894 4.527 0.028 0.000 0.306 16 F C 1.474 177.335 175.800 0.103 0.000 1.100 16 F CA 0.322 58.393 58.000 0.118 0.000 1.255 16 F CB 0.290 39.428 39.000 0.229 0.000 1.072 16 F HN -0.045 nan 8.300 nan 0.000 0.589 17 G N 2.332 111.264 108.800 0.220 0.000 2.381 17 G HA2 -0.120 3.857 3.960 0.028 0.000 0.281 17 G HA3 -0.120 3.857 3.960 0.028 0.000 0.281 17 G C -0.770 174.223 174.900 0.155 0.000 0.984 17 G CA 0.056 45.241 45.100 0.142 0.000 1.339 17 G HN 0.182 nan 8.290 nan 0.000 0.485 18 V N 0.618 120.621 119.914 0.149 0.000 2.925 18 V HA 0.781 4.917 4.120 0.028 0.000 0.311 18 V C 0.374 176.518 176.094 0.083 0.000 1.104 18 V CA -0.259 62.108 62.300 0.112 0.000 0.954 18 V CB 2.211 34.106 31.823 0.119 0.000 1.022 18 V HN 0.906 nan 8.190 nan 0.000 0.427 19 S N 1.166 116.905 115.700 0.064 0.000 2.480 19 S HA 0.249 4.736 4.470 0.028 0.000 0.286 19 S C 0.931 175.566 174.600 0.058 0.000 1.180 19 S CA -0.275 57.959 58.200 0.056 0.000 1.075 19 S CB 1.164 64.392 63.200 0.047 0.000 0.996 19 S HN 0.903 nan 8.310 nan 0.000 0.487 20 E N 2.581 122.811 120.200 0.050 0.000 2.209 20 E HA -0.165 4.202 4.350 0.028 0.000 0.196 20 E C 1.539 178.177 176.600 0.063 0.000 0.993 20 E CA 1.872 58.296 56.400 0.040 0.000 0.819 20 E CB -0.018 29.698 29.700 0.026 0.000 0.745 20 E HN 0.899 nan 8.360 nan 0.000 0.477 21 T N -2.520 112.076 114.554 0.071 0.000 2.901 21 T HA -0.079 4.288 4.350 0.028 0.000 0.252 21 T C 2.151 176.913 174.700 0.103 0.000 1.035 21 T CA 1.281 63.435 62.100 0.091 0.000 1.142 21 T CB -0.521 68.383 68.868 0.059 0.000 0.869 21 T HN 0.228 nan 8.240 nan 0.000 0.442 22 T N -0.371 114.226 114.554 0.072 0.000 2.684 22 T HA 0.492 4.858 4.350 0.028 0.000 0.253 22 T C 1.514 176.259 174.700 0.076 0.000 1.057 22 T CA 0.936 63.068 62.100 0.054 0.000 1.162 22 T CB -0.985 67.903 68.868 0.033 0.000 0.868 22 T HN 1.256 nan 8.240 nan 0.000 0.409 23 G N 0.622 109.467 108.800 0.074 0.000 2.306 23 G HA2 0.127 4.104 3.960 0.028 0.000 0.262 23 G HA3 0.127 4.104 3.960 0.028 0.000 0.262 23 G C -1.498 173.428 174.900 0.043 0.000 1.263 23 G CA -0.508 44.639 45.100 0.079 0.000 1.088 23 G HN 0.619 nan 8.290 nan 0.000 0.489 24 L N 2.015 123.255 121.223 0.029 0.000 2.276 24 L HA 0.484 4.841 4.340 0.028 0.000 0.286 24 L C 1.640 178.495 176.870 -0.025 0.000 1.061 24 L CA -0.071 54.763 54.840 -0.010 0.000 0.807 24 L CB 1.329 43.372 42.059 -0.026 0.000 1.177 24 L HN 1.009 nan 8.230 nan 0.000 0.429 25 T N 0.945 115.474 114.554 -0.043 0.000 2.900 25 T HA 0.136 4.503 4.350 0.028 0.000 0.307 25 T C -1.261 173.408 174.700 -0.052 0.000 1.065 25 T CA -1.360 60.717 62.100 -0.038 0.000 1.105 25 T CB 1.075 69.921 68.868 -0.037 0.000 0.979 25 T HN 0.480 nan 8.240 nan 0.000 0.544 26 P HA -0.177 nan 4.420 nan 0.000 0.217 26 P C 0.987 178.262 177.300 -0.042 0.000 1.151 26 P CA 1.643 64.725 63.100 -0.029 0.000 0.849 26 P CB 0.062 31.751 31.700 -0.019 0.000 0.787 27 D N -0.182 120.189 120.400 -0.048 0.000 2.077 27 D HA -0.186 4.471 4.640 0.028 0.000 0.193 27 D C 2.350 178.594 176.300 -0.094 0.000 0.989 27 D CA 1.376 55.344 54.000 -0.053 0.000 0.831 27 D CB -0.584 40.190 40.800 -0.043 0.000 0.979 27 D HN 0.113 nan 8.370 nan 0.000 0.449 28 Q N -0.322 119.386 119.800 -0.153 0.000 2.156 28 Q HA -0.215 4.142 4.340 0.028 0.000 0.211 28 Q C 2.365 178.132 176.000 -0.388 0.000 0.995 28 Q CA 1.689 57.281 55.803 -0.353 0.000 0.877 28 Q CB -0.244 28.242 28.738 -0.420 0.000 0.920 28 Q HN 0.263 nan 8.270 nan 0.000 0.416 29 V N 1.168 120.967 119.914 -0.192 0.000 2.220 29 V HA -0.309 3.828 4.120 0.028 0.000 0.246 29 V C 2.151 178.240 176.094 -0.009 0.000 1.049 29 V CA 2.094 64.355 62.300 -0.066 0.000 1.003 29 V CB -0.583 31.229 31.823 -0.018 0.000 0.634 29 V HN 0.328 nan 8.190 nan 0.000 0.444 30 K N -0.464 119.928 120.400 -0.014 0.000 2.044 30 K HA -0.255 4.082 4.320 0.028 0.000 0.210 30 K C 2.410 179.008 176.600 -0.003 0.000 1.049 30 K CA 1.883 58.171 56.287 0.001 0.000 0.927 30 K CB -0.304 32.194 32.500 -0.003 0.000 0.713 30 K HN 0.285 nan 8.250 nan 0.000 0.443 31 R N 0.319 120.808 120.500 -0.018 0.000 2.082 31 R HA -0.164 4.193 4.340 0.028 0.000 0.234 31 R C 2.196 178.529 176.300 0.055 0.000 1.136 31 R CA 1.808 57.909 56.100 0.001 0.000 0.935 31 R CB -0.233 30.059 30.300 -0.012 0.000 0.842 31 R HN 0.451 nan 8.270 nan 0.000 0.430 32 H N -0.402 118.640 119.070 -0.047 0.000 2.321 32 H HA -0.153 4.420 4.556 0.028 0.000 0.300 32 H C 2.248 177.508 175.328 -0.113 0.000 1.087 32 H CA 1.295 57.294 56.048 -0.080 0.000 1.319 32 H CB -0.027 29.788 29.762 0.087 0.000 1.379 32 H HN 0.180 nan 8.280 nan 0.000 0.501 33 L N 1.140 122.422 121.223 0.099 0.000 2.187 33 L HA -0.201 4.156 4.340 0.028 0.000 0.213 33 L C 2.280 179.099 176.870 -0.085 0.000 1.100 33 L CA 1.320 56.166 54.840 0.011 0.000 0.765 33 L CB 0.003 42.065 42.059 0.005 0.000 0.904 33 L HN 0.203 nan 8.230 nan 0.000 0.437 34 E N -0.145 120.009 120.200 -0.075 0.000 2.216 34 E HA -0.225 4.142 4.350 0.028 0.000 0.192 34 E C 2.094 178.621 176.600 -0.121 0.000 0.988 34 E CA 1.081 57.428 56.400 -0.089 0.000 0.834 34 E CB 0.028 29.692 29.700 -0.059 0.000 0.772 34 E HN 0.390 nan 8.360 nan 0.000 0.479 35 K N -1.232 119.043 120.400 -0.209 0.000 2.166 35 K HA -0.039 4.298 4.320 0.028 0.000 0.201 35 K C 1.227 177.648 176.600 -0.299 0.000 1.052 35 K CA 0.827 56.911 56.287 -0.339 0.000 0.969 35 K CB 0.036 32.166 32.500 -0.616 0.000 0.761 35 K HN 0.259 nan 8.250 nan 0.000 0.459 36 Y N -0.409 119.895 120.300 0.006 0.000 2.535 36 Y HA 0.220 4.787 4.550 0.028 0.000 0.266 36 Y C 1.157 177.043 175.900 -0.024 0.000 1.088 36 Y CA -0.177 57.926 58.100 0.005 0.000 1.285 36 Y CB 1.088 39.565 38.460 0.028 0.000 1.166 36 Y HN 0.287 nan 8.280 nan 0.000 0.525 37 G N 0.296 109.118 108.800 0.038 0.000 2.582 37 G HA2 -0.187 3.790 3.960 0.028 0.000 0.222 37 G HA3 -0.187 3.790 3.960 0.028 0.000 0.222 37 G C -1.206 173.623 174.900 -0.118 0.000 1.311 37 G CA -0.909 44.125 45.100 -0.109 0.000 0.915 37 G HN 0.248 nan 8.290 nan 0.000 0.528 38 H N 0.527 119.644 119.070 0.078 0.000 2.548 38 H HA 0.328 4.901 4.556 0.028 0.000 0.331 38 H C 0.956 176.321 175.328 0.061 0.000 1.093 38 H CA -0.179 55.908 56.048 0.065 0.000 1.367 38 H CB 1.181 30.972 29.762 0.047 0.000 1.455 38 H HN 0.521 nan 8.280 nan 0.000 0.519 39 N N 3.165 121.979 118.700 0.189 0.000 2.950 39 N HA -0.070 4.687 4.740 0.028 0.000 0.313 39 N C -0.708 174.860 175.510 0.096 0.000 1.213 39 N CA -0.022 53.096 53.050 0.114 0.000 1.184 39 N CB -0.294 38.245 38.487 0.088 0.000 1.454 39 N HN 0.664 nan 8.380 nan 0.000 0.532 40 E N 0.216 120.476 120.200 0.101 0.000 2.352 40 E HA 0.294 4.661 4.350 0.028 0.000 0.280 40 E C -1.274 175.365 176.600 0.065 0.000 0.930 40 E CA -1.019 55.426 56.400 0.075 0.000 0.765 40 E CB 0.616 30.360 29.700 0.072 0.000 1.219 40 E HN -0.068 nan 8.360 nan 0.000 0.434 41 L N 3.300 124.552 121.223 0.049 0.000 2.456 41 L HA 0.268 4.624 4.340 0.028 0.000 0.272 41 L C -1.892 175.002 176.870 0.039 0.000 1.189 41 L CA -1.407 53.457 54.840 0.041 0.000 0.846 41 L CB -0.179 41.901 42.059 0.034 0.000 1.111 41 L HN 0.566 nan 8.230 nan 0.000 0.475 42 P HA 0.067 nan 4.420 nan 0.000 0.267 42 P C -0.929 176.385 177.300 0.025 0.000 1.200 42 P CA -0.360 62.760 63.100 0.034 0.000 0.772 42 P CB 0.562 32.279 31.700 0.029 0.000 0.855 43 A N 2.576 125.410 122.820 0.023 0.000 2.287 43 A HA 0.412 4.749 4.320 0.028 0.000 0.273 43 A C 0.215 177.805 177.584 0.011 0.000 1.091 43 A CA -0.089 51.957 52.037 0.015 0.000 0.817 43 A CB -0.003 19.006 19.000 0.014 0.000 1.069 43 A HN 0.537 nan 8.150 nan 0.000 0.492 44 E N -0.251 119.952 120.200 0.005 0.000 2.316 44 E HA 0.620 4.987 4.350 0.028 0.000 0.258 44 E C -0.893 175.707 176.600 0.000 0.000 0.952 44 E CA -0.466 55.935 56.400 0.001 0.000 0.818 44 E CB 1.237 30.935 29.700 -0.004 0.000 1.260 44 E HN 0.649 nan 8.360 nan 0.000 0.416 45 E N -0.602 119.597 120.200 -0.002 0.000 2.343 45 E HA 0.734 5.101 4.350 0.028 0.000 0.270 45 E C -0.975 175.621 176.600 -0.007 0.000 0.895 45 E CA -1.092 55.308 56.400 -0.001 0.000 0.767 45 E CB 2.121 31.823 29.700 0.004 0.000 1.248 45 E HN 0.562 nan 8.360 nan 0.000 0.440 46 G N 2.385 111.181 108.800 -0.006 0.000 2.496 46 G HA2 0.059 4.036 3.960 0.028 0.000 0.220 46 G HA3 0.059 4.036 3.960 0.028 0.000 0.220 46 G C -0.924 173.968 174.900 -0.013 0.000 3.253 46 G CA -0.699 44.394 45.100 -0.013 0.000 0.843 46 G HN 0.262 nan 8.290 nan 0.000 0.512 47 K N 0.038 120.435 120.400 -0.004 0.000 2.318 47 K HA 0.723 5.060 4.320 0.028 0.000 0.265 47 K C 0.545 177.151 176.600 0.009 0.000 1.055 47 K CA -0.731 55.555 56.287 -0.002 0.000 0.896 47 K CB 1.327 33.828 32.500 0.001 0.000 1.479 47 K HN 0.682 nan 8.250 nan 0.000 0.449 48 S N 1.201 116.909 115.700 0.014 0.000 2.670 48 S HA 0.181 4.668 4.470 0.028 0.000 0.308 48 S C -0.215 174.414 174.600 0.048 0.000 1.232 48 S CA -0.131 58.086 58.200 0.029 0.000 1.126 48 S CB -0.330 62.887 63.200 0.029 0.000 0.897 48 S HN 0.468 nan 8.310 nan 0.000 0.508 49 L N 2.526 123.788 121.223 0.065 0.000 2.786 49 L HA 0.540 4.897 4.340 0.028 0.000 0.259 49 L C -0.117 176.857 176.870 0.173 0.000 1.099 49 L CA -0.734 54.173 54.840 0.112 0.000 0.995 49 L CB 0.405 42.525 42.059 0.102 0.000 1.580 49 L HN 0.707 nan 8.230 nan 0.000 0.373 50 W N 0.340 121.646 121.300 0.011 0.000 2.678 50 W HA 0.098 4.775 4.660 0.028 0.000 0.256 50 W C 1.828 178.359 176.519 0.019 0.000 1.280 50 W CA 1.343 58.699 57.345 0.018 0.000 1.345 50 W CB 0.267 29.737 29.460 0.017 0.000 1.118 50 W HN 0.730 nan 8.180 nan 0.000 0.629 51 E N 0.666 120.851 120.200 -0.026 0.000 2.001 51 E HA -0.245 4.122 4.350 0.028 0.000 0.195 51 E C 2.171 178.651 176.600 -0.201 0.000 1.002 51 E CA 2.649 58.950 56.400 -0.166 0.000 0.819 51 E CB -0.967 28.700 29.700 -0.054 0.000 0.769 51 E HN 0.294 nan 8.360 nan 0.000 0.454 52 L N -0.010 121.147 121.223 -0.110 0.000 2.054 52 L HA -0.318 4.039 4.340 0.028 0.000 0.220 52 L C 2.487 179.264 176.870 -0.155 0.000 1.081 52 L CA 1.717 56.493 54.840 -0.107 0.000 0.780 52 L CB -0.974 41.050 42.059 -0.058 0.000 0.893 52 L HN 0.143 nan 8.230 nan 0.000 0.438 53 V N -0.078 119.741 119.914 -0.158 0.000 2.216 53 V HA -0.334 3.803 4.120 0.028 0.000 0.243 53 V C 2.234 178.205 176.094 -0.205 0.000 1.044 53 V CA 2.131 64.337 62.300 -0.156 0.000 0.995 53 V CB -0.551 31.249 31.823 -0.039 0.000 0.633 53 V HN 0.401 nan 8.190 nan 0.000 0.446 54 I N 0.010 120.349 120.570 -0.385 0.000 2.185 54 I HA -0.326 3.860 4.170 0.028 0.000 0.246 54 I C 2.639 178.626 176.117 -0.216 0.000 1.088 54 I CA 2.015 63.086 61.300 -0.383 0.000 1.347 54 I CB -0.157 37.312 38.000 -0.886 0.000 1.041 54 I HN 0.468 nan 8.210 nan 0.000 0.415 55 E N -0.133 119.928 120.200 -0.232 0.000 2.150 55 E HA -0.297 4.070 4.350 0.028 0.000 0.193 55 E C 2.057 178.570 176.600 -0.144 0.000 0.985 55 E CA 1.048 57.355 56.400 -0.156 0.000 0.814 55 E CB -0.070 29.547 29.700 -0.138 0.000 0.752 55 E HN 0.492 nan 8.360 nan 0.000 0.466 56 Q N 0.271 119.943 119.800 -0.214 0.000 2.061 56 Q HA -0.148 4.209 4.340 0.028 0.000 0.204 56 Q C 0.553 176.364 176.000 -0.316 0.000 0.984 56 Q CA 1.418 57.029 55.803 -0.319 0.000 0.846 56 Q CB -0.152 28.281 28.738 -0.508 0.000 0.902 56 Q HN 0.149 nan 8.270 nan 0.000 0.421 57 F N 0.568 120.466 119.950 -0.087 0.000 2.954 57 F HA 0.248 4.791 4.527 0.027 0.000 0.300 57 F C 1.199 176.952 175.800 -0.078 0.000 1.206 57 F CA 0.033 57.989 58.000 -0.073 0.000 1.345 57 F CB -0.072 38.885 39.000 -0.072 0.000 1.206 57 F HN 0.252 nan 8.300 nan 0.000 0.537 58 E N -0.499 119.731 120.200 0.051 0.000 2.485 58 E HA -0.010 4.357 4.350 0.028 0.000 0.213 58 E C 0.120 176.727 176.600 0.011 0.000 0.923 58 E CA -0.048 56.360 56.400 0.013 0.000 1.054 58 E CB 0.364 30.045 29.700 -0.032 0.000 1.077 58 E HN 0.301 nan 8.360 nan 0.000 0.509 59 D N 0.126 120.533 120.400 0.013 0.000 2.400 59 D HA -0.023 4.634 4.640 0.028 0.000 0.238 59 D C 1.343 177.653 176.300 0.017 0.000 1.157 59 D CA 0.186 54.192 54.000 0.009 0.000 0.889 59 D CB 0.937 41.741 40.800 0.007 0.000 1.199 59 D HN 0.047 nan 8.370 nan 0.000 0.436 60 L N 2.439 123.664 121.223 0.003 0.000 1.948 60 L HA -0.183 4.174 4.340 0.028 0.000 0.212 60 L C 2.459 179.327 176.870 -0.004 0.000 1.074 60 L CA 0.861 55.696 54.840 -0.009 0.000 0.753 60 L CB -0.509 41.534 42.059 -0.027 0.000 0.888 60 L HN 0.565 nan 8.230 nan 0.000 0.432 61 L N -0.683 120.538 121.223 -0.003 0.000 2.089 61 L HA -0.261 4.096 4.340 0.028 0.000 0.213 61 L C 2.547 179.433 176.870 0.027 0.000 1.079 61 L CA 1.028 55.871 54.840 0.005 0.000 0.758 61 L CB -0.659 41.415 42.059 0.026 0.000 0.891 61 L HN 0.193 nan 8.230 nan 0.000 0.433 62 V N -0.413 119.530 119.914 0.049 0.000 2.809 62 V HA -0.166 3.971 4.120 0.028 0.000 0.256 62 V C 2.564 178.710 176.094 0.086 0.000 1.080 62 V CA 1.390 63.745 62.300 0.092 0.000 1.102 62 V CB -0.300 31.606 31.823 0.139 0.000 0.705 62 V HN 0.386 nan 8.190 nan 0.000 0.475 63 R N -0.556 119.971 120.500 0.046 0.000 2.057 63 R HA 0.067 4.424 4.340 0.028 0.000 0.224 63 R C 2.169 178.461 176.300 -0.014 0.000 1.136 63 R CA 1.362 57.470 56.100 0.013 0.000 0.968 63 R CB -0.264 30.038 30.300 0.003 0.000 0.863 63 R HN 0.346 nan 8.270 nan 0.000 0.433 64 I N 1.519 122.077 120.570 -0.019 0.000 2.315 64 I HA -0.260 3.927 4.170 0.028 0.000 0.251 64 I C 2.101 178.203 176.117 -0.024 0.000 1.125 64 I CA 1.554 62.834 61.300 -0.034 0.000 1.392 64 I CB -0.751 37.222 38.000 -0.044 0.000 1.065 64 I HN 0.248 nan 8.210 nan 0.000 0.424 65 L N -0.643 120.577 121.223 -0.005 0.000 2.492 65 L HA -0.084 4.272 4.340 0.028 0.000 0.223 65 L C 2.265 179.131 176.870 -0.006 0.000 1.132 65 L CA 0.215 55.057 54.840 0.004 0.000 0.850 65 L CB -0.153 41.920 42.059 0.025 0.000 0.966 65 L HN 0.223 nan 8.230 nan 0.000 0.454 66 L N -0.500 120.708 121.223 -0.025 0.000 2.249 66 L HA -0.041 4.316 4.340 0.028 0.000 0.207 66 L C 2.048 178.882 176.870 -0.060 0.000 1.090 66 L CA 1.194 55.993 54.840 -0.069 0.000 0.802 66 L CB -0.193 41.793 42.059 -0.123 0.000 0.947 66 L HN 0.087 nan 8.230 nan 0.000 0.453 67 L N 0.357 121.552 121.223 -0.046 0.000 2.093 67 L HA 0.013 4.370 4.340 0.028 0.000 0.208 67 L C 2.435 179.293 176.870 -0.021 0.000 1.085 67 L CA 1.993 56.808 54.840 -0.042 0.000 0.755 67 L CB -1.054 40.973 42.059 -0.054 0.000 0.904 67 L HN 0.255 nan 8.230 nan 0.000 0.435 68 A N -0.629 122.182 122.820 -0.014 0.000 2.019 68 A HA -0.032 4.305 4.320 0.028 0.000 0.219 68 A C 2.388 180.001 177.584 0.049 0.000 1.164 68 A CA 1.573 53.616 52.037 0.011 0.000 0.644 68 A CB -0.899 18.107 19.000 0.010 0.000 0.805 68 A HN 0.567 nan 8.150 nan 0.000 0.449 69 A N -1.370 121.470 122.820 0.033 0.000 1.935 69 A HA -0.026 4.311 4.320 0.028 0.000 0.214 69 A C 1.928 179.559 177.584 0.079 0.000 1.178 69 A CA 1.240 53.312 52.037 0.057 0.000 0.640 69 A CB -0.953 18.040 19.000 -0.011 0.000 0.825 69 A HN 0.570 nan 8.150 nan 0.000 0.447 70 C N 0.039 119.356 119.300 0.029 0.000 2.525 70 C HA 0.175 4.652 4.460 0.028 0.000 0.279 70 C C 1.687 176.742 174.990 0.107 0.000 1.437 70 C CA 0.271 59.312 59.018 0.039 0.000 1.704 70 C CB -1.468 26.266 27.740 -0.010 0.000 1.672 70 C HN 0.541 nan 8.230 nan 0.000 0.582 71 I N -1.267 119.387 120.570 0.140 0.000 4.399 71 I HA 0.035 4.222 4.170 0.028 0.000 0.301 71 I C 2.387 178.626 176.117 0.203 0.000 1.198 71 I CA 0.800 62.212 61.300 0.186 0.000 1.315 71 I CB -1.297 36.814 38.000 0.185 0.000 1.452 71 I HN 0.173 nan 8.210 nan 0.000 0.457 72 S N 1.117 116.936 115.700 0.198 0.000 2.399 72 S HA -0.175 4.312 4.470 0.028 0.000 0.231 72 S C 2.053 176.833 174.600 0.299 0.000 1.022 72 S CA 1.213 59.542 58.200 0.215 0.000 0.983 72 S CB -0.401 62.915 63.200 0.192 0.000 0.803 72 S HN 0.308 nan 8.310 nan 0.000 0.480 73 F N 1.836 121.887 119.950 0.170 0.000 2.171 73 F HA -0.013 4.530 4.527 0.028 0.000 0.300 73 F C 1.974 177.930 175.800 0.261 0.000 1.090 73 F CA 1.310 59.447 58.000 0.228 0.000 1.293 73 F CB -0.331 38.747 39.000 0.130 0.000 1.013 73 F HN 0.105 nan 8.300 nan 0.000 0.486 74 V N -0.869 119.152 119.914 0.178 0.000 2.599 74 V HA -0.150 3.987 4.120 0.028 0.000 0.245 74 V C 2.191 178.393 176.094 0.179 0.000 1.046 74 V CA 0.788 63.146 62.300 0.097 0.000 1.065 74 V CB -0.424 31.393 31.823 -0.010 0.000 0.703 74 V HN 0.195 nan 8.190 nan 0.000 0.464 75 L N 0.806 122.106 121.223 0.129 0.000 2.083 75 L HA 0.026 4.383 4.340 0.028 0.000 0.209 75 L C 2.073 179.043 176.870 0.166 0.000 1.083 75 L CA 2.071 56.978 54.840 0.111 0.000 0.752 75 L CB -0.736 41.397 42.059 0.123 0.000 0.899 75 L HN 0.309 nan 8.230 nan 0.000 0.433 76 A N -2.569 120.360 122.820 0.181 0.000 2.579 76 A HA -0.023 4.314 4.320 0.028 0.000 0.273 76 A C 1.415 179.066 177.584 0.111 0.000 1.363 76 A CA -0.292 51.814 52.037 0.116 0.000 0.953 76 A CB -0.835 18.231 19.000 0.111 0.000 1.034 76 A HN 0.633 nan 8.150 nan 0.000 0.536 77 W N -1.787 119.521 121.300 0.013 0.000 2.974 77 W HA 0.155 4.832 4.660 0.027 0.000 0.250 77 W C -0.058 176.499 176.519 0.063 0.000 1.074 77 W CA 0.353 57.697 57.345 -0.002 0.000 1.410 77 W CB 0.339 29.817 29.460 0.031 0.000 0.846 77 W HN 0.339 nan 8.180 nan 0.000 0.680 78 F N 1.784 121.803 119.950 0.114 0.000 2.619 78 F HA 0.180 4.723 4.527 0.028 0.000 0.293 78 F C 1.155 176.936 175.800 -0.031 0.000 1.119 78 F CA 0.431 58.456 58.000 0.043 0.000 1.445 78 F CB -0.760 38.275 39.000 0.059 0.000 1.119 78 F HN -0.258 nan 8.300 nan 0.000 0.573 79 E N 2.117 122.401 120.200 0.139 0.000 2.529 79 E HA -0.092 4.274 4.350 0.028 0.000 0.259 79 E C -0.363 176.216 176.600 -0.034 0.000 0.966 79 E CA 0.019 56.447 56.400 0.048 0.000 0.937 79 E CB 0.286 30.000 29.700 0.024 0.000 0.923 79 E HN 0.307 nan 8.360 nan 0.000 0.468 80 E N 2.487 122.675 120.200 -0.020 0.000 2.257 80 E HA 0.418 4.785 4.350 0.028 0.000 0.278 80 E C -0.212 176.352 176.600 -0.060 0.000 1.049 80 E CA -0.086 56.284 56.400 -0.051 0.000 0.876 80 E CB 1.268 30.953 29.700 -0.025 0.000 1.035 80 E HN 0.594 nan 8.360 nan 0.000 0.419 81 G N 2.320 111.064 108.800 -0.093 0.000 2.503 81 G HA2 -0.025 3.952 3.960 0.028 0.000 0.305 81 G HA3 -0.025 3.952 3.960 0.028 0.000 0.305 81 G C 0.145 174.977 174.900 -0.114 0.000 1.575 81 G CA -0.712 44.335 45.100 -0.089 0.000 0.890 81 G HN 0.514 nan 8.290 nan 0.000 0.612 82 E N 0.698 120.845 120.200 -0.089 0.000 2.516 82 E HA -0.036 4.331 4.350 0.028 0.000 0.199 82 E C -0.077 176.464 176.600 -0.099 0.000 1.069 82 E CA 0.574 56.920 56.400 -0.091 0.000 0.876 82 E CB 0.174 29.835 29.700 -0.064 0.000 0.843 82 E HN 0.540 nan 8.360 nan 0.000 0.530 83 E N 0.543 120.679 120.200 -0.107 0.000 2.313 83 E HA 0.197 4.563 4.350 0.028 0.000 0.276 83 E C 0.090 176.589 176.600 -0.169 0.000 1.031 83 E CA -0.036 56.298 56.400 -0.109 0.000 0.857 83 E CB 1.636 31.283 29.700 -0.088 0.000 1.040 83 E HN -0.030 nan 8.360 nan 0.000 0.408 84 T N 1.518 115.984 114.554 -0.148 0.000 3.170 84 T HA 0.194 4.561 4.350 0.028 0.000 0.288 84 T C 0.348 174.986 174.700 -0.103 0.000 0.992 84 T CA -0.109 61.875 62.100 -0.194 0.000 0.909 84 T CB -0.006 68.794 68.868 -0.115 0.000 1.133 84 T HN 0.399 nan 8.240 nan 0.000 0.530 85 I N 0.366 120.888 120.570 -0.080 0.000 4.181 85 I HA 0.410 4.597 4.170 0.028 0.000 0.331 85 I C 1.751 177.847 176.117 -0.036 0.000 1.312 85 I CA 0.635 61.916 61.300 -0.031 0.000 1.146 85 I CB 0.919 38.910 38.000 -0.016 0.000 1.074 85 I HN 0.183 nan 8.210 nan 0.000 0.402 86 T N -1.160 113.351 114.554 -0.072 0.000 3.010 86 T HA 0.386 4.753 4.350 0.028 0.000 0.257 86 T C 1.651 176.301 174.700 -0.084 0.000 1.020 86 T CA 0.779 62.843 62.100 -0.059 0.000 0.938 86 T CB 0.085 68.924 68.868 -0.049 0.000 1.049 86 T HN 0.233 nan 8.240 nan 0.000 0.522 87 A N 0.757 123.467 122.820 -0.185 0.000 1.861 87 A HA 0.296 4.633 4.320 0.028 0.000 0.212 87 A C 0.970 178.445 177.584 -0.181 0.000 1.199 87 A CA 0.657 52.525 52.037 -0.282 0.000 0.613 87 A CB -0.602 18.048 19.000 -0.583 0.000 0.846 87 A HN 0.484 nan 8.150 nan 0.000 0.446 88 F N 0.316 120.261 119.950 -0.008 0.000 2.757 88 F HA 0.236 4.780 4.527 0.028 0.000 0.292 88 F C 1.369 177.173 175.800 0.007 0.000 1.204 88 F CA -0.502 57.504 58.000 0.010 0.000 1.417 88 F CB -0.449 38.462 39.000 -0.148 0.000 1.001 88 F HN -0.037 nan 8.300 nan 0.000 0.508 89 V N -0.861 119.166 119.914 0.188 0.000 2.398 89 V HA -0.122 4.015 4.120 0.028 0.000 0.236 89 V C 2.322 178.553 176.094 0.228 0.000 1.054 89 V CA 1.156 63.552 62.300 0.160 0.000 1.060 89 V CB -0.432 31.424 31.823 0.053 0.000 0.707 89 V HN 0.288 nan 8.190 nan 0.000 0.480 90 E N 0.938 121.244 120.200 0.177 0.000 2.035 90 E HA -0.248 4.118 4.350 0.028 0.000 0.204 90 E C -0.650 176.103 176.600 0.254 0.000 1.025 90 E CA 2.290 58.796 56.400 0.175 0.000 0.835 90 E CB -0.957 28.826 29.700 0.139 0.000 0.764 90 E HN 0.420 nan 8.360 nan 0.000 0.457 91 P HA -0.100 nan 4.420 nan 0.000 0.234 91 P C 0.137 177.691 177.300 0.423 0.000 1.162 91 P CA 1.021 64.381 63.100 0.434 0.000 0.759 91 P CB -0.026 32.100 31.700 0.710 0.000 0.813 92 F N -2.348 117.710 119.950 0.180 0.000 2.577 92 F HA 0.039 4.582 4.527 0.027 0.000 0.276 92 F C 2.139 177.996 175.800 0.095 0.000 1.032 92 F CA 0.384 58.462 58.000 0.130 0.000 1.297 92 F CB -0.651 38.440 39.000 0.150 0.000 1.061 92 F HN -0.391 nan 8.300 nan 0.000 0.680 93 V N 0.873 120.947 119.914 0.267 0.000 2.392 93 V HA -0.299 3.838 4.120 0.028 0.000 0.249 93 V C 2.188 178.347 176.094 0.109 0.000 1.059 93 V CA 1.875 64.276 62.300 0.168 0.000 1.051 93 V CB -0.544 31.361 31.823 0.137 0.000 0.658 93 V HN 0.248 nan 8.190 nan 0.000 0.455 94 I N -0.664 119.964 120.570 0.096 0.000 2.162 94 I HA -0.198 3.989 4.170 0.028 0.000 0.238 94 I C 2.335 178.461 176.117 0.016 0.000 1.076 94 I CA 1.444 62.778 61.300 0.057 0.000 1.353 94 I CB -0.346 37.687 38.000 0.056 0.000 1.063 94 I HN 0.238 nan 8.210 nan 0.000 0.408 95 L N 0.853 122.055 121.223 -0.035 0.000 2.450 95 L HA -0.222 4.135 4.340 0.028 0.000 0.225 95 L C 2.236 179.040 176.870 -0.111 0.000 1.145 95 L CA 1.057 55.816 54.840 -0.134 0.000 0.801 95 L CB 0.015 41.900 42.059 -0.289 0.000 0.924 95 L HN 0.314 nan 8.230 nan 0.000 0.447 96 L N -0.976 120.220 121.223 -0.045 0.000 2.121 96 L HA -0.087 4.270 4.340 0.028 0.000 0.200 96 L C 2.324 179.214 176.870 0.033 0.000 1.077 96 L CA 1.028 55.867 54.840 -0.003 0.000 0.766 96 L CB -0.130 41.962 42.059 0.056 0.000 0.931 96 L HN 0.088 nan 8.230 nan 0.000 0.452 97 I N 0.236 120.835 120.570 0.047 0.000 2.264 97 I HA -0.345 3.842 4.170 0.028 0.000 0.248 97 I C 2.418 178.577 176.117 0.069 0.000 1.111 97 I CA 1.382 62.713 61.300 0.052 0.000 1.382 97 I CB -0.263 37.769 38.000 0.053 0.000 1.060 97 I HN 0.361 nan 8.210 nan 0.000 0.418 98 L N 0.244 121.521 121.223 0.090 0.000 2.017 98 L HA -0.214 4.142 4.340 0.028 0.000 0.208 98 L C 2.440 179.476 176.870 0.277 0.000 1.073 98 L CA 1.542 56.499 54.840 0.195 0.000 0.745 98 L CB -0.428 41.720 42.059 0.149 0.000 0.894 98 L HN 0.211 nan 8.230 nan 0.000 0.432 99 I N -0.500 120.183 120.570 0.189 0.000 2.617 99 I HA -0.160 4.027 4.170 0.028 0.000 0.256 99 I C 2.714 178.877 176.117 0.076 0.000 1.167 99 I CA 0.643 62.054 61.300 0.185 0.000 1.469 99 I CB -0.382 37.676 38.000 0.097 0.000 1.098 99 I HN 0.171 nan 8.210 nan 0.000 0.436 100 A N 1.289 124.137 122.820 0.048 0.000 1.841 100 A HA -0.175 4.162 4.320 0.028 0.000 0.214 100 A C 1.595 179.171 177.584 -0.013 0.000 1.195 100 A CA 1.469 53.514 52.037 0.013 0.000 0.611 100 A CB -0.955 18.054 19.000 0.015 0.000 0.835 100 A HN 0.475 nan 8.150 nan 0.000 0.443 101 N N -0.004 118.691 118.700 -0.008 0.000 2.683 101 N HA 0.340 5.097 4.740 0.028 0.000 0.256 101 N C 0.434 175.889 175.510 -0.092 0.000 1.270 101 N CA 0.233 53.261 53.050 -0.037 0.000 0.954 101 N CB 0.121 38.599 38.487 -0.016 0.000 1.289 101 N HN 0.520 nan 8.380 nan 0.000 0.508 102 A N -0.539 122.219 122.820 -0.105 0.000 2.425 102 A HA 0.252 4.589 4.320 0.028 0.000 0.201 102 A C 1.523 179.038 177.584 -0.115 0.000 1.431 102 A CA -0.181 51.726 52.037 -0.216 0.000 1.066 102 A CB 0.338 19.162 19.000 -0.293 0.000 1.318 102 A HN 0.163 nan 8.150 nan 0.000 0.534 103 I N -0.243 120.294 120.570 -0.054 0.000 2.556 103 I HA -0.034 4.153 4.170 0.028 0.000 0.251 103 I C 1.594 177.707 176.117 -0.007 0.000 1.105 103 I CA 0.849 62.139 61.300 -0.018 0.000 1.436 103 I CB -0.092 37.894 38.000 -0.024 0.000 1.139 103 I HN -0.005 nan 8.210 nan 0.000 0.438 104 V N 1.588 121.464 119.914 -0.063 0.000 3.541 104 V HA 0.010 4.147 4.120 0.028 0.000 0.272 104 V C 1.841 177.954 176.094 0.031 0.000 1.215 104 V CA 1.485 63.730 62.300 -0.091 0.000 1.176 104 V CB -1.079 30.656 31.823 -0.147 0.000 0.854 104 V HN 0.593 nan 8.190 nan 0.000 0.496 105 G N -0.945 107.868 108.800 0.023 0.000 2.834 105 G HA2 -0.006 3.971 3.960 0.028 0.000 0.198 105 G HA3 -0.006 3.971 3.960 0.028 0.000 0.198 105 G C 1.072 175.991 174.900 0.030 0.000 1.070 105 G CA 0.661 45.765 45.100 0.007 0.000 0.771 105 G HN 0.287 nan 8.290 nan 0.000 0.601 106 V N 0.976 120.904 119.914 0.023 0.000 3.563 106 V HA 0.303 4.440 4.120 0.028 0.000 0.299 106 V C -0.098 176.068 176.094 0.121 0.000 1.290 106 V CA -0.721 61.595 62.300 0.026 0.000 1.201 106 V CB -0.678 31.138 31.823 -0.011 0.000 1.045 106 V HN 0.356 nan 8.190 nan 0.000 0.425 107 W N 1.042 122.312 121.300 -0.049 0.000 2.581 107 W HA 0.384 5.061 4.660 0.029 0.000 0.359 107 W C 0.682 177.183 176.519 -0.031 0.000 1.167 107 W CA -0.403 56.921 57.345 -0.034 0.000 1.517 107 W CB 0.619 30.061 29.460 -0.030 0.000 1.519 107 W HN 0.221 nan 8.180 nan 0.000 0.431 108 Q N 2.404 122.094 119.800 -0.184 0.000 2.155 108 Q HA 0.061 4.418 4.340 0.028 0.000 0.220 108 Q C 1.270 177.053 176.000 -0.363 0.000 0.819 108 Q CA 0.196 55.835 55.803 -0.274 0.000 1.032 108 Q CB 0.407 29.067 28.738 -0.130 0.000 1.151 108 Q HN 0.405 nan 8.270 nan 0.000 0.487 109 E N -0.611 119.274 120.200 -0.526 0.000 2.347 109 E HA -0.039 4.328 4.350 0.028 0.000 0.196 109 E C 1.281 177.605 176.600 -0.460 0.000 1.008 109 E CA 0.573 56.750 56.400 -0.371 0.000 0.852 109 E CB 0.278 29.874 29.700 -0.175 0.000 0.783 109 E HN 0.221 nan 8.360 nan 0.000 0.505 110 R N -0.142 119.883 120.500 -0.792 0.000 1.850 110 R HA 0.179 4.535 4.340 0.028 0.000 0.152 110 R C -0.361 175.683 176.300 -0.427 0.000 2.001 110 R CA -0.165 55.561 56.100 -0.622 0.000 1.578 110 R CB -0.026 29.703 30.300 -0.952 0.000 1.261 110 R HN -0.040 nan 8.270 nan 0.000 0.478 111 N N 0.589 119.016 118.700 -0.455 0.000 2.400 111 N HA 0.145 4.902 4.740 0.028 0.000 0.278 111 N C -0.620 174.762 175.510 -0.214 0.000 1.247 111 N CA 0.588 53.487 53.050 -0.253 0.000 0.970 111 N CB 1.399 39.775 38.487 -0.184 0.000 1.312 111 N HN 0.492 nan 8.380 nan 0.000 0.488 112 A N 1.940 124.661 122.820 -0.166 0.000 2.654 112 A HA 0.043 4.380 4.320 0.028 0.000 0.203 112 A C -0.183 177.343 177.584 -0.096 0.000 1.306 112 A CA -0.384 51.575 52.037 -0.129 0.000 1.041 112 A CB 0.011 18.924 19.000 -0.145 0.000 1.217 112 A HN 0.461 nan 8.150 nan 0.000 0.510 113 E N 1.879 122.024 120.200 -0.092 0.000 2.129 113 E HA 0.172 4.539 4.350 0.028 0.000 0.283 113 E C -0.614 175.952 176.600 -0.056 0.000 1.080 113 E CA -0.438 55.920 56.400 -0.071 0.000 0.867 113 E CB 0.772 30.430 29.700 -0.069 0.000 1.056 113 E HN 0.424 nan 8.360 nan 0.000 0.404 114 N N 2.050 120.722 118.700 -0.047 0.000 2.487 114 N HA 0.164 4.921 4.740 0.028 0.000 0.292 114 N C 0.258 175.751 175.510 -0.028 0.000 1.108 114 N CA -0.080 52.948 53.050 -0.036 0.000 0.956 114 N CB 1.698 40.166 38.487 -0.032 0.000 1.176 114 N HN 0.448 nan 8.380 nan 0.000 0.484 115 A N 3.787 126.594 122.820 -0.021 0.000 2.014 115 A HA 0.026 4.363 4.320 0.028 0.000 0.218 115 A C 2.020 179.603 177.584 -0.002 0.000 1.163 115 A CA 0.783 52.813 52.037 -0.011 0.000 0.652 115 A CB -0.332 18.662 19.000 -0.009 0.000 0.808 115 A HN 0.786 nan 8.150 nan 0.000 0.449 116 I N -0.412 120.155 120.570 -0.005 0.000 2.928 116 I HA -0.136 4.051 4.170 0.028 0.000 0.266 116 I C 2.436 178.553 176.117 0.001 0.000 1.234 116 I CA 0.955 62.256 61.300 0.002 0.000 1.483 116 I CB -0.152 37.847 38.000 -0.002 0.000 1.097 116 I HN 0.500 nan 8.210 nan 0.000 0.455 117 E N 2.091 122.285 120.200 -0.011 0.000 2.028 117 E HA -0.215 4.152 4.350 0.028 0.000 0.191 117 E C 2.261 178.847 176.600 -0.023 0.000 0.988 117 E CA 1.507 57.896 56.400 -0.018 0.000 0.799 117 E CB 0.063 29.745 29.700 -0.030 0.000 0.755 117 E HN 0.404 nan 8.360 nan 0.000 0.447 118 A N 2.014 124.816 122.820 -0.030 0.000 2.024 118 A HA -0.144 4.193 4.320 0.028 0.000 0.220 118 A C 2.248 179.820 177.584 -0.020 0.000 1.164 118 A CA 0.872 52.874 52.037 -0.057 0.000 0.643 118 A CB -0.592 18.376 19.000 -0.052 0.000 0.806 118 A HN 0.380 nan 8.150 nan 0.000 0.451 119 L N -0.326 120.923 121.223 0.044 0.000 2.127 119 L HA -0.140 4.217 4.340 0.028 0.000 0.211 119 L C 1.868 178.793 176.870 0.093 0.000 1.089 119 L CA 2.009 56.913 54.840 0.107 0.000 0.757 119 L CB -0.719 41.380 42.059 0.066 0.000 0.899 119 L HN 0.464 nan 8.230 nan 0.000 0.434 120 K N -0.845 119.576 120.400 0.036 0.000 2.418 120 K HA -0.090 4.247 4.320 0.028 0.000 0.195 120 K C 1.647 178.250 176.600 0.004 0.000 1.035 120 K CA 0.048 56.351 56.287 0.027 0.000 1.003 120 K CB 0.218 32.724 32.500 0.010 0.000 0.793 120 K HN 0.225 nan 8.250 nan 0.000 0.494 121 E N 0.300 120.474 120.200 -0.044 0.000 2.371 121 E HA -0.103 4.263 4.350 0.028 0.000 0.194 121 E C 0.852 177.369 176.600 -0.138 0.000 1.012 121 E CA 0.788 57.117 56.400 -0.119 0.000 0.860 121 E CB 0.182 29.758 29.700 -0.207 0.000 0.811 121 E HN 0.432 nan 8.360 nan 0.000 0.502 122 Y N 1.351 121.651 120.300 -0.001 0.000 2.517 122 Y HA 0.016 4.583 4.550 0.028 0.000 0.281 122 Y C 0.689 176.593 175.900 0.008 0.000 1.125 122 Y CA 0.192 58.294 58.100 0.003 0.000 1.283 122 Y CB 0.490 38.952 38.460 0.003 0.000 1.042 122 Y HN 0.057 nan 8.280 nan 0.000 0.547 123 E N 2.518 122.806 120.200 0.147 0.000 2.194 123 E HA 0.205 4.572 4.350 0.028 0.000 0.284 123 E C -2.550 174.086 176.600 0.061 0.000 1.035 123 E CA -2.297 54.160 56.400 0.095 0.000 0.836 123 E CB 0.753 30.496 29.700 0.073 0.000 1.070 123 E HN 0.018 nan 8.360 nan 0.000 0.401 124 P HA -0.108 nan 4.420 nan 0.000 0.278 124 P C -0.041 177.273 177.300 0.023 0.000 1.270 124 P CA 0.063 63.184 63.100 0.035 0.000 0.800 124 P CB 0.895 32.615 31.700 0.034 0.000 1.142 125 E N -1.292 118.917 120.200 0.015 0.000 2.306 125 E HA 0.119 4.486 4.350 0.028 0.000 0.201 125 E C 0.438 177.044 176.600 0.010 0.000 0.874 125 E CA 0.056 56.462 56.400 0.009 0.000 0.972 125 E CB 0.404 30.105 29.700 0.003 0.000 0.957 125 E HN 0.286 nan 8.360 nan 0.000 0.492 126 M N -0.083 119.524 119.600 0.012 0.000 2.602 126 M HA 0.541 5.037 4.480 0.028 0.000 0.312 126 M C -0.877 175.433 176.300 0.017 0.000 1.181 126 M CA -0.375 54.933 55.300 0.013 0.000 0.910 126 M CB 2.521 35.128 32.600 0.011 0.000 1.723 126 M HN 0.060 nan 8.290 nan 0.000 0.459 127 G N 2.387 111.199 108.800 0.020 0.000 2.718 127 G HA2 0.545 4.521 3.960 0.028 0.000 0.295 127 G HA3 0.545 4.521 3.960 0.028 0.000 0.295 127 G C -2.106 172.811 174.900 0.028 0.000 1.421 127 G CA -0.922 44.189 45.100 0.019 0.000 0.902 127 G HN 0.641 nan 8.290 nan 0.000 0.501 128 K N 0.417 120.836 120.400 0.032 0.000 2.183 128 K HA 0.713 5.050 4.320 0.028 0.000 0.274 128 K C 0.010 176.655 176.600 0.074 0.000 1.009 128 K CA -0.610 55.715 56.287 0.063 0.000 0.888 128 K CB 2.020 34.568 32.500 0.080 0.000 1.078 128 K HN 0.640 nan 8.250 nan 0.000 0.459 129 V N -0.510 119.482 119.914 0.130 0.000 3.181 129 V HA 0.546 4.683 4.120 0.028 0.000 0.314 129 V C -0.979 175.374 176.094 0.431 0.000 1.173 129 V CA -1.182 61.216 62.300 0.163 0.000 1.052 129 V CB 1.226 33.105 31.823 0.094 0.000 1.123 129 V HN 0.787 nan 8.190 nan 0.000 0.454 130 Y N 0.878 121.171 120.300 -0.011 0.000 2.594 130 Y HA 0.577 5.144 4.550 0.028 0.000 0.338 130 Y C 0.347 176.241 175.900 -0.010 0.000 1.019 130 Y CA -1.114 56.981 58.100 -0.009 0.000 1.306 130 Y CB 1.309 39.764 38.460 -0.009 0.000 1.094 130 Y HN 0.558 nan 8.280 nan 0.000 0.534 131 R N 0.646 121.196 120.500 0.083 0.000 2.549 131 R HA 0.499 4.856 4.340 0.028 0.000 0.259 131 R C 0.800 177.105 176.300 0.008 0.000 1.095 131 R CA -0.147 55.977 56.100 0.039 0.000 1.148 131 R CB 0.708 31.018 30.300 0.017 0.000 1.181 131 R HN 0.669 nan 8.270 nan 0.000 0.571 132 A N 0.616 123.438 122.820 0.002 0.000 2.169 132 A HA -0.100 4.237 4.320 0.028 0.000 0.212 132 A C 1.141 178.713 177.584 -0.020 0.000 1.153 132 A CA 1.068 53.101 52.037 -0.007 0.000 0.756 132 A CB -0.334 18.664 19.000 -0.003 0.000 0.813 132 A HN 0.729 nan 8.150 nan 0.000 0.471 133 D N -0.576 119.812 120.400 -0.021 0.000 2.317 133 D HA -0.029 4.628 4.640 0.028 0.000 0.211 133 D C 0.617 176.897 176.300 -0.033 0.000 0.966 133 D CA 0.585 54.571 54.000 -0.023 0.000 0.876 133 D CB -0.036 40.753 40.800 -0.018 0.000 0.927 133 D HN 0.382 nan 8.370 nan 0.000 0.519 134 R N -0.550 119.920 120.500 -0.049 0.000 2.515 134 R HA 0.218 4.575 4.340 0.028 0.000 0.278 134 R C 0.033 176.263 176.300 -0.116 0.000 1.107 134 R CA -0.573 55.485 56.100 -0.069 0.000 0.945 134 R CB 1.558 31.820 30.300 -0.062 0.000 1.219 134 R HN -0.141 nan 8.270 nan 0.000 0.434 135 K N 0.934 121.264 120.400 -0.117 0.000 2.555 135 K HA 0.034 4.371 4.320 0.028 0.000 0.193 135 K C 0.467 176.914 176.600 -0.254 0.000 1.032 135 K CA 0.531 56.720 56.287 -0.163 0.000 1.004 135 K CB 0.295 32.732 32.500 -0.105 0.000 0.804 135 K HN 0.369 nan 8.250 nan 0.000 0.496 136 S N -0.197 115.370 115.700 -0.222 0.000 2.646 136 S HA 0.095 4.582 4.470 0.028 0.000 0.276 136 S C -0.092 174.306 174.600 -0.337 0.000 1.222 136 S CA -0.806 57.255 58.200 -0.232 0.000 1.014 136 S CB 1.675 64.804 63.200 -0.119 0.000 0.991 136 S HN 0.054 nan 8.310 nan 0.000 0.533 137 V N 6.139 125.888 119.914 -0.274 0.000 1.959 137 V HA 0.142 4.278 4.120 0.028 0.000 0.242 137 V C 0.549 176.659 176.094 0.027 0.000 1.613 137 V CA -0.203 62.049 62.300 -0.080 0.000 1.566 137 V CB -1.363 30.589 31.823 0.214 0.000 1.547 137 V HN 0.871 nan 8.190 nan 0.000 0.503 138 Q N 4.686 124.479 119.800 -0.013 0.000 2.262 138 Q HA -0.003 4.354 4.340 0.028 0.000 0.298 138 Q C 0.182 176.211 176.000 0.048 0.000 1.083 138 Q CA 0.016 55.827 55.803 0.013 0.000 0.962 138 Q CB 0.031 28.768 28.738 -0.001 0.000 1.104 138 Q HN 0.846 nan 8.270 nan 0.000 0.376 139 R N 3.661 124.182 120.500 0.035 0.000 3.235 139 R HA 0.316 4.673 4.340 0.028 0.000 0.232 139 R C 0.392 176.708 176.300 0.026 0.000 1.475 139 R CA -0.429 55.693 56.100 0.037 0.000 1.405 139 R CB -0.541 29.777 30.300 0.030 0.000 1.266 139 R HN 0.733 nan 8.270 nan 0.000 0.650 140 I N -1.964 118.624 120.570 0.030 0.000 3.433 140 I HA 0.203 4.390 4.170 0.028 0.000 0.265 140 I C -0.073 176.056 176.117 0.020 0.000 1.186 140 I CA -0.874 60.440 61.300 0.024 0.000 1.008 140 I CB 0.573 38.591 38.000 0.030 0.000 1.552 140 I HN 0.249 nan 8.210 nan 0.000 0.790 141 K N 1.389 121.798 120.400 0.015 0.000 2.326 141 K HA 0.245 4.581 4.320 0.028 0.000 0.275 141 K C 0.982 177.593 176.600 0.019 0.000 1.018 141 K CA 0.313 56.605 56.287 0.009 0.000 0.962 141 K CB 1.415 33.911 32.500 -0.007 0.000 0.953 141 K HN 0.758 nan 8.250 nan 0.000 0.475 142 A N 3.688 126.520 122.820 0.019 0.000 1.908 142 A HA -0.210 4.126 4.320 0.028 0.000 0.218 142 A C 2.057 179.665 177.584 0.039 0.000 1.181 142 A CA 1.629 53.683 52.037 0.027 0.000 0.627 142 A CB -0.375 18.640 19.000 0.025 0.000 0.818 142 A HN 0.900 nan 8.150 nan 0.000 0.445 143 R N -0.328 120.188 120.500 0.026 0.000 2.211 143 R HA -0.164 4.192 4.340 0.028 0.000 0.240 143 R C 0.261 176.612 176.300 0.086 0.000 1.144 143 R CA 1.721 57.840 56.100 0.032 0.000 0.992 143 R CB -0.226 30.050 30.300 -0.040 0.000 0.869 143 R HN 0.475 nan 8.270 nan 0.000 0.462 144 D N -0.040 120.406 120.400 0.075 0.000 2.349 144 D HA 0.094 4.751 4.640 0.028 0.000 0.214 144 D C 0.442 176.816 176.300 0.124 0.000 1.063 144 D CA 0.108 54.188 54.000 0.134 0.000 0.847 144 D CB 0.284 41.132 40.800 0.080 0.000 0.933 144 D HN 0.264 nan 8.370 nan 0.000 0.513 145 I N 1.116 121.744 120.570 0.096 0.000 2.882 145 I HA 0.077 4.264 4.170 0.028 0.000 0.286 145 I C 0.457 176.631 176.117 0.095 0.000 1.139 145 I CA -0.442 60.903 61.300 0.075 0.000 1.379 145 I CB 1.215 39.242 38.000 0.044 0.000 1.410 145 I HN -0.231 nan 8.210 nan 0.000 0.594 146 V N 2.334 122.298 119.914 0.084 0.000 2.971 146 V HA 0.517 4.654 4.120 0.028 0.000 0.309 146 V C -2.834 173.295 176.094 0.058 0.000 1.130 146 V CA -2.603 59.774 62.300 0.129 0.000 0.964 146 V CB 1.632 33.594 31.823 0.231 0.000 1.029 146 V HN 0.441 nan 8.190 nan 0.000 0.427 147 P HA 0.319 nan 4.420 nan 0.000 0.260 147 P C 1.018 178.062 177.300 -0.426 0.000 1.172 147 P CA 2.279 65.255 63.100 -0.207 0.000 0.760 147 P CB 0.577 32.098 31.700 -0.298 0.000 0.773 148 G N 2.961 111.120 108.800 -1.067 0.000 2.493 148 G HA2 -0.179 3.798 3.960 0.028 0.000 0.206 148 G HA3 -0.179 3.798 3.960 0.028 0.000 0.206 148 G C -0.268 174.412 174.900 -0.367 0.000 1.109 148 G CA 0.047 44.449 45.100 -1.162 0.000 0.689 148 G HN 0.692 nan 8.290 nan 0.000 0.516 149 D N 2.166 122.478 120.400 -0.147 0.000 2.382 149 D HA 0.421 5.078 4.640 0.028 0.000 0.245 149 D C 1.077 177.326 176.300 -0.085 0.000 1.120 149 D CA -0.226 53.737 54.000 -0.062 0.000 0.890 149 D CB 0.499 41.301 40.800 0.002 0.000 1.201 149 D HN 1.066 nan 8.370 nan 0.000 0.433 150 I N 0.349 120.888 120.570 -0.051 0.000 2.379 150 I HA 0.372 4.559 4.170 0.028 0.000 0.290 150 I C 0.048 176.096 176.117 -0.115 0.000 1.063 150 I CA -1.039 60.212 61.300 -0.082 0.000 1.351 150 I CB 0.678 38.640 38.000 -0.064 0.000 1.410 150 I HN 0.366 nan 8.210 nan 0.000 0.505 151 V N 3.131 122.963 119.914 -0.137 0.000 3.093 151 V HA 0.615 4.752 4.120 0.028 0.000 0.320 151 V C -0.446 175.520 176.094 -0.212 0.000 1.093 151 V CA -0.605 61.609 62.300 -0.143 0.000 1.016 151 V CB 1.877 33.652 31.823 -0.081 0.000 1.096 151 V HN 0.946 nan 8.190 nan 0.000 0.452 152 E N 0.715 120.807 120.200 -0.181 0.000 2.222 152 E HA 0.685 5.052 4.350 0.028 0.000 0.267 152 E C -1.458 175.092 176.600 -0.082 0.000 0.884 152 E CA -0.799 55.499 56.400 -0.170 0.000 0.764 152 E CB 2.185 31.772 29.700 -0.188 0.000 1.169 152 E HN 0.989 nan 8.360 nan 0.000 0.413 153 V N 0.165 120.034 119.914 -0.075 0.000 2.789 153 V HA 1.003 5.140 4.120 0.028 0.000 0.311 153 V C -0.688 175.382 176.094 -0.040 0.000 1.073 153 V CA -0.695 61.576 62.300 -0.048 0.000 0.921 153 V CB 1.230 33.020 31.823 -0.054 0.000 1.009 153 V HN 0.749 nan 8.190 nan 0.000 0.426 154 A N 2.787 125.592 122.820 -0.024 0.000 2.569 154 A HA 0.941 5.278 4.320 0.028 0.000 0.290 154 A C -0.073 177.504 177.584 -0.012 0.000 1.136 154 A CA -0.309 51.717 52.037 -0.018 0.000 0.710 154 A CB 1.603 20.598 19.000 -0.009 0.000 1.303 154 A HN 2.431 nan 8.150 nan 0.000 0.413 155 V N -0.716 119.192 119.914 -0.010 0.000 3.099 155 V HA 0.306 4.443 4.120 0.028 0.000 0.283 155 V C 1.534 177.628 176.094 -0.001 0.000 1.363 155 V CA 0.959 63.255 62.300 -0.005 0.000 1.422 155 V CB -0.713 31.108 31.823 -0.003 0.000 0.944 155 V HN 2.886 nan 8.190 nan 0.000 0.527 156 G N 1.813 110.615 108.800 0.002 0.000 2.322 156 G HA2 -0.277 3.700 3.960 0.028 0.000 0.264 156 G HA3 -0.277 3.700 3.960 0.028 0.000 0.264 156 G C 0.010 174.915 174.900 0.009 0.000 0.992 156 G CA 0.563 45.667 45.100 0.007 0.000 0.624 156 G HN 1.070 nan 8.290 nan 0.000 0.543 157 D N 0.687 121.090 120.400 0.005 0.000 2.414 157 D HA 0.396 5.053 4.640 0.028 0.000 0.242 157 D C 0.590 176.897 176.300 0.012 0.000 1.129 157 D CA 0.305 54.309 54.000 0.006 0.000 0.885 157 D CB 0.931 41.729 40.800 -0.002 0.000 1.198 157 D HN 0.430 nan 8.370 nan 0.000 0.437 158 K N 1.674 122.086 120.400 0.019 0.000 2.253 158 K HA 0.260 4.597 4.320 0.028 0.000 0.277 158 K C -0.864 175.750 176.600 0.023 0.000 1.053 158 K CA -0.708 55.597 56.287 0.031 0.000 0.892 158 K CB 0.662 33.190 32.500 0.048 0.000 1.102 158 K HN 0.119 nan 8.250 nan 0.000 0.469 159 V N 8.078 128.001 119.914 0.016 0.000 2.475 159 V HA -0.022 4.115 4.120 0.028 0.000 0.292 159 V C -1.147 174.958 176.094 0.017 0.000 1.003 159 V CA -0.829 61.472 62.300 0.002 0.000 1.120 159 V CB 0.663 32.478 31.823 -0.013 0.000 0.937 159 V HN 0.879 nan 8.190 nan 0.000 0.476 160 P HA 0.035 nan 4.420 nan 0.000 0.221 160 P C 0.334 177.646 177.300 0.020 0.000 1.150 160 P CA 1.453 64.564 63.100 0.018 0.000 0.800 160 P CB 0.649 32.356 31.700 0.012 0.000 0.787 161 A N -0.879 121.946 122.820 0.008 0.000 2.493 161 A HA 0.468 4.805 4.320 0.028 0.000 0.300 161 A C -1.603 175.981 177.584 0.000 0.000 1.152 161 A CA -0.628 51.415 52.037 0.010 0.000 0.643 161 A CB 0.135 19.134 19.000 -0.003 0.000 1.316 161 A HN -0.216 nan 8.150 nan 0.000 0.469 162 D N 1.174 121.579 120.400 0.009 0.000 2.365 162 D HA 0.529 5.186 4.640 0.028 0.000 0.237 162 D C -0.558 175.708 176.300 -0.056 0.000 1.190 162 D CA 0.711 54.712 54.000 0.002 0.000 0.867 162 D CB 0.440 41.287 40.800 0.078 0.000 1.050 162 D HN 0.380 nan 8.370 nan 0.000 0.491 163 I N 1.477 121.985 120.570 -0.104 0.000 2.648 163 I HA 0.334 4.521 4.170 0.028 0.000 0.304 163 I C 0.426 176.471 176.117 -0.120 0.000 1.009 163 I CA -1.070 60.166 61.300 -0.106 0.000 1.114 163 I CB 1.538 39.474 38.000 -0.107 0.000 1.293 163 I HN -0.033 nan 8.210 nan 0.000 0.449 164 R N 5.631 126.080 120.500 -0.086 0.000 2.247 164 R HA 0.489 4.846 4.340 0.028 0.000 0.329 164 R C -0.986 175.274 176.300 -0.066 0.000 1.014 164 R CA -0.429 55.631 56.100 -0.067 0.000 0.907 164 R CB -0.241 30.044 30.300 -0.027 0.000 1.146 164 R HN 0.544 nan 8.270 nan 0.000 0.499 165 I N 5.735 126.256 120.570 -0.082 0.000 2.996 165 I HA -0.237 3.950 4.170 0.028 0.000 0.311 165 I C 0.862 176.950 176.117 -0.047 0.000 1.219 165 I CA 0.695 61.951 61.300 -0.073 0.000 1.452 165 I CB 0.417 38.371 38.000 -0.076 0.000 1.319 165 I HN 0.690 nan 8.210 nan 0.000 0.564 166 L N 4.036 125.230 121.223 -0.049 0.000 2.515 166 L HA 0.180 4.537 4.340 0.028 0.000 0.202 166 L C 0.729 177.583 176.870 -0.027 0.000 1.056 166 L CA 0.507 55.328 54.840 -0.031 0.000 0.847 166 L CB 0.232 42.269 42.059 -0.036 0.000 1.131 166 L HN 0.671 nan 8.230 nan 0.000 0.484 167 S N -0.243 115.434 115.700 -0.039 0.000 2.572 167 S HA 0.539 5.025 4.470 0.028 0.000 0.274 167 S C -1.027 173.549 174.600 -0.040 0.000 1.150 167 S CA -0.594 57.588 58.200 -0.031 0.000 0.944 167 S CB 1.143 64.326 63.200 -0.027 0.000 1.071 167 S HN 0.087 nan 8.310 nan 0.000 0.479 168 I N 5.594 126.147 120.570 -0.029 0.000 2.315 168 I HA 0.369 4.556 4.170 0.028 0.000 0.291 168 I C 0.901 177.003 176.117 -0.025 0.000 1.006 168 I CA -0.710 60.570 61.300 -0.035 0.000 1.265 168 I CB 1.433 39.413 38.000 -0.034 0.000 1.387 168 I HN 0.609 nan 8.210 nan 0.000 0.475 169 K N 3.350 123.733 120.400 -0.028 0.000 2.166 169 K HA 0.074 4.411 4.320 0.028 0.000 0.201 169 K C 1.049 177.640 176.600 -0.015 0.000 1.052 169 K CA 0.503 56.779 56.287 -0.018 0.000 0.969 169 K CB -0.186 32.304 32.500 -0.017 0.000 0.761 169 K HN 0.685 nan 8.250 nan 0.000 0.459 170 S N 0.534 116.223 115.700 -0.018 0.000 2.633 170 S HA 0.070 4.557 4.470 0.028 0.000 0.257 170 S C 1.438 176.030 174.600 -0.013 0.000 1.265 170 S CA -0.190 58.002 58.200 -0.015 0.000 0.980 170 S CB 0.248 63.438 63.200 -0.016 0.000 1.017 170 S HN 0.109 nan 8.310 nan 0.000 0.577 171 T N 1.292 115.840 114.554 -0.010 0.000 2.708 171 T HA 0.072 4.438 4.350 0.028 0.000 0.266 171 T C 0.944 175.639 174.700 -0.007 0.000 1.037 171 T CA 1.631 63.727 62.100 -0.007 0.000 1.146 171 T CB -0.644 68.223 68.868 -0.002 0.000 0.865 171 T HN 1.029 nan 8.240 nan 0.000 0.435 172 T N -0.922 113.623 114.554 -0.014 0.000 2.885 172 T HA 0.594 4.961 4.350 0.028 0.000 0.322 172 T C -1.703 172.972 174.700 -0.041 0.000 1.387 172 T CA -1.082 61.001 62.100 -0.028 0.000 1.041 172 T CB 1.720 70.581 68.868 -0.012 0.000 1.287 172 T HN 0.030 nan 8.240 nan 0.000 0.491 173 L N 1.506 122.686 121.223 -0.072 0.000 2.307 173 L HA 0.795 5.152 4.340 0.028 0.000 0.284 173 L C -0.480 176.349 176.870 -0.069 0.000 1.023 173 L CA -0.535 54.264 54.840 -0.068 0.000 0.810 173 L CB 1.264 43.273 42.059 -0.083 0.000 1.231 173 L HN 0.810 nan 8.230 nan 0.000 0.423 174 R N 4.357 124.830 120.500 -0.044 0.000 2.502 174 R HA 0.695 5.052 4.340 0.028 0.000 0.300 174 R C -1.196 175.091 176.300 -0.022 0.000 0.984 174 R CA -0.738 55.345 56.100 -0.029 0.000 0.882 174 R CB 2.043 32.336 30.300 -0.011 0.000 1.180 174 R HN 0.587 nan 8.270 nan 0.000 0.444 175 V N -1.315 118.587 119.914 -0.020 0.000 2.881 175 V HA 0.541 4.678 4.120 0.028 0.000 0.316 175 V C -0.523 175.576 176.094 0.008 0.000 1.070 175 V CA -0.807 61.486 62.300 -0.011 0.000 0.976 175 V CB 2.119 33.928 31.823 -0.025 0.000 1.038 175 V HN 0.662 nan 8.190 nan 0.000 0.446 176 D N 1.516 121.924 120.400 0.013 0.000 2.505 176 D HA 0.298 4.954 4.640 0.028 0.000 0.242 176 D C 0.624 176.935 176.300 0.019 0.000 1.136 176 D CA 0.006 54.017 54.000 0.018 0.000 0.954 176 D CB 0.846 41.657 40.800 0.018 0.000 1.002 176 D HN 0.672 nan 8.370 nan 0.000 0.512 177 Q N 0.841 120.660 119.800 0.031 0.000 2.373 177 Q HA -0.013 4.344 4.340 0.028 0.000 0.206 177 Q C 1.817 177.810 176.000 -0.011 0.000 0.942 177 Q CA 0.080 55.904 55.803 0.035 0.000 0.953 177 Q CB 0.248 29.041 28.738 0.092 0.000 1.022 177 Q HN 0.528 nan 8.270 nan 0.000 0.502 178 S N 1.015 116.708 115.700 -0.012 0.000 2.365 178 S HA -0.280 4.207 4.470 0.028 0.000 0.225 178 S C 1.834 176.393 174.600 -0.068 0.000 1.039 178 S CA 1.197 59.383 58.200 -0.023 0.000 1.033 178 S CB -0.569 62.629 63.200 -0.002 0.000 0.887 178 S HN 0.604 nan 8.310 nan 0.000 0.447 179 I N 0.910 121.411 120.570 -0.114 0.000 2.227 179 I HA -0.282 3.905 4.170 0.028 0.000 0.250 179 I C 2.080 178.026 176.117 -0.284 0.000 1.087 179 I CA 1.763 62.889 61.300 -0.290 0.000 1.352 179 I CB -0.122 37.589 38.000 -0.481 0.000 1.043 179 I HN 0.373 nan 8.210 nan 0.000 0.425 180 L N -0.362 120.750 121.223 -0.186 0.000 2.116 180 L HA -0.107 4.250 4.340 0.028 0.000 0.200 180 L C 2.673 179.470 176.870 -0.121 0.000 1.084 180 L CA 1.635 56.371 54.840 -0.174 0.000 0.766 180 L CB -0.782 41.170 42.059 -0.179 0.000 0.930 180 L HN 0.387 nan 8.230 nan 0.000 0.453 181 T N -3.162 111.342 114.554 -0.084 0.000 2.818 181 T HA 0.192 4.559 4.350 0.028 0.000 0.246 181 T C 1.375 176.053 174.700 -0.036 0.000 1.036 181 T CA 1.187 63.253 62.100 -0.056 0.000 1.160 181 T CB 0.653 69.499 68.868 -0.035 0.000 0.869 181 T HN 0.467 nan 8.240 nan 0.000 0.419 182 G N 0.474 109.260 108.800 -0.024 0.000 3.211 182 G HA2 -0.079 3.898 3.960 0.028 0.000 0.202 182 G HA3 -0.079 3.898 3.960 0.028 0.000 0.202 182 G C -0.090 174.811 174.900 0.002 0.000 1.035 182 G CA -0.144 44.951 45.100 -0.009 0.000 0.846 182 G HN 0.557 nan 8.290 nan 0.000 0.464 183 E N 2.772 122.975 120.200 0.004 0.000 1.833 183 E HA 0.260 4.627 4.350 0.028 0.000 0.258 183 E C 1.365 177.973 176.600 0.012 0.000 1.257 183 E CA 0.373 56.779 56.400 0.010 0.000 1.003 183 E CB 0.339 30.048 29.700 0.015 0.000 1.068 183 E HN 0.521 nan 8.360 nan 0.000 0.422 184 S N 0.681 116.388 115.700 0.011 0.000 2.609 184 S HA -0.080 4.407 4.470 0.028 0.000 0.250 184 S C 0.887 175.495 174.600 0.014 0.000 0.974 184 S CA -0.078 58.129 58.200 0.012 0.000 0.962 184 S CB -0.201 63.006 63.200 0.012 0.000 0.756 184 S HN 0.180 nan 8.310 nan 0.000 0.539 185 V N 4.030 123.954 119.914 0.016 0.000 2.397 185 V HA 0.180 4.317 4.120 0.028 0.000 0.262 185 V C 0.987 177.098 176.094 0.027 0.000 1.047 185 V CA -0.338 61.974 62.300 0.020 0.000 1.003 185 V CB -0.286 31.549 31.823 0.021 0.000 1.037 185 V HN 0.676 nan 8.190 nan 0.000 0.480 186 S N 5.667 121.381 115.700 0.023 0.000 2.560 186 S HA 0.349 4.836 4.470 0.028 0.000 0.276 186 S C -0.161 174.458 174.600 0.033 0.000 1.350 186 S CA -0.410 57.804 58.200 0.023 0.000 1.024 186 S CB 1.178 64.387 63.200 0.015 0.000 0.864 186 S HN 1.055 nan 8.310 nan 0.000 0.536 187 V N -0.664 119.268 119.914 0.029 0.000 2.769 187 V HA 0.702 4.839 4.120 0.028 0.000 0.312 187 V C -0.406 175.691 176.094 0.005 0.000 1.061 187 V CA -1.370 60.952 62.300 0.038 0.000 0.931 187 V CB 0.903 32.758 31.823 0.053 0.000 1.010 187 V HN 0.801 nan 8.190 nan 0.000 0.433 188 I N 3.461 124.036 120.570 0.008 0.000 2.638 188 I HA 0.437 4.624 4.170 0.028 0.000 0.286 188 I C 0.652 176.673 176.117 -0.159 0.000 1.088 188 I CA 0.350 61.603 61.300 -0.078 0.000 1.397 188 I CB 0.364 38.333 38.000 -0.053 0.000 1.414 188 I HN 0.613 nan 8.210 nan 0.000 0.566 189 K N 4.443 124.676 120.400 -0.278 0.000 2.306 189 K HA 0.623 4.959 4.320 0.028 0.000 0.236 189 K C -0.629 175.642 176.600 -0.549 0.000 1.013 189 K CA -0.791 55.330 56.287 -0.276 0.000 0.857 189 K CB 1.843 34.244 32.500 -0.166 0.000 1.214 189 K HN 0.554 nan 8.250 nan 0.000 0.449 190 H N -0.963 118.091 119.070 -0.027 0.000 2.942 190 H HA 0.288 4.861 4.556 0.028 0.000 0.316 190 H C 0.048 175.353 175.328 -0.038 0.000 1.323 190 H CA -0.456 55.574 56.048 -0.029 0.000 1.144 190 H CB 1.961 31.696 29.762 -0.045 0.000 1.866 190 H HN 0.433 nan 8.280 nan 0.000 0.545 191 T N -0.374 114.251 114.554 0.119 0.000 2.990 191 T HA 0.028 4.395 4.350 0.028 0.000 0.249 191 T C 0.602 175.318 174.700 0.027 0.000 1.039 191 T CA 0.022 62.148 62.100 0.044 0.000 1.036 191 T CB 0.410 69.296 68.868 0.029 0.000 0.994 191 T HN 0.373 nan 8.240 nan 0.000 0.489 192 E N 2.843 123.056 120.200 0.022 0.000 2.467 192 E HA 0.008 4.375 4.350 0.028 0.000 0.264 192 E C -2.441 174.156 176.600 -0.005 0.000 1.020 192 E CA -1.208 55.182 56.400 -0.018 0.000 0.945 192 E CB 0.619 30.273 29.700 -0.077 0.000 0.942 192 E HN 0.164 nan 8.360 nan 0.000 0.449 193 P HA 0.082 nan 4.420 nan 0.000 0.288 193 P C -0.932 176.381 177.300 0.021 0.000 1.267 193 P CA -0.391 62.715 63.100 0.009 0.000 0.815 193 P CB 1.185 32.883 31.700 -0.004 0.000 0.989 194 V N 6.524 126.484 119.914 0.077 0.000 2.338 194 V HA 0.079 4.216 4.120 0.028 0.000 0.255 194 V C -0.667 175.513 176.094 0.143 0.000 1.082 194 V CA -1.144 61.224 62.300 0.114 0.000 0.951 194 V CB 0.361 32.285 31.823 0.169 0.000 1.102 194 V HN 0.583 nan 8.190 nan 0.000 0.489 195 P HA -0.149 nan 4.420 nan 0.000 0.218 195 P C 0.528 177.855 177.300 0.045 0.000 1.148 195 P CA 0.777 63.893 63.100 0.026 0.000 0.822 195 P CB 0.285 31.987 31.700 0.004 0.000 0.784 196 D N 0.994 121.444 120.400 0.084 0.000 2.349 196 D HA 0.024 4.681 4.640 0.028 0.000 0.266 196 D C -1.445 174.963 176.300 0.180 0.000 1.293 196 D CA -2.054 52.001 54.000 0.091 0.000 0.926 196 D CB 0.416 41.255 40.800 0.066 0.000 1.090 196 D HN -0.006 nan 8.370 nan 0.000 0.502 197 P HA -0.171 nan 4.420 nan 0.000 0.218 197 P C 0.304 177.712 177.300 0.179 0.000 1.147 197 P CA 1.204 64.347 63.100 0.071 0.000 0.827 197 P CB 0.024 31.732 31.700 0.014 0.000 0.778 198 R N -2.101 118.484 120.500 0.141 0.000 2.816 198 R HA 0.621 4.978 4.340 0.028 0.000 0.382 198 R C 0.128 176.447 176.300 0.031 0.000 1.140 198 R CA -0.467 55.689 56.100 0.094 0.000 1.050 198 R CB 0.003 30.330 30.300 0.044 0.000 1.396 198 R HN -0.108 nan 8.270 nan 0.000 0.583 199 A N 1.140 123.957 122.820 -0.005 0.000 2.409 199 A HA 0.381 4.718 4.320 0.028 0.000 0.246 199 A C 0.639 178.132 177.584 -0.151 0.000 1.099 199 A CA -0.158 51.807 52.037 -0.120 0.000 0.789 199 A CB 0.462 19.317 19.000 -0.241 0.000 1.053 199 A HN 0.413 nan 8.150 nan 0.000 0.503 200 V N -0.690 119.153 119.914 -0.118 0.000 2.630 200 V HA 0.380 4.516 4.120 0.028 0.000 0.305 200 V C 0.908 176.940 176.094 -0.102 0.000 1.046 200 V CA -0.845 61.389 62.300 -0.109 0.000 0.934 200 V CB 1.272 33.045 31.823 -0.083 0.000 1.003 200 V HN 0.851 nan 8.190 nan 0.000 0.451 201 N N 1.795 120.415 118.700 -0.134 0.000 2.122 201 N HA -0.322 4.435 4.740 0.028 0.000 0.199 201 N C 1.605 177.150 175.510 0.059 0.000 1.007 201 N CA 2.473 55.457 53.050 -0.109 0.000 0.892 201 N CB -0.475 37.701 38.487 -0.518 0.000 1.050 201 N HN 0.971 nan 8.380 nan 0.000 0.468 202 Q N 0.258 120.053 119.800 -0.007 0.000 2.181 202 Q HA -0.145 4.211 4.340 0.028 0.000 0.205 202 Q C 0.303 176.333 176.000 0.049 0.000 0.980 202 Q CA 1.447 57.274 55.803 0.039 0.000 0.862 202 Q CB 0.095 28.843 28.738 0.017 0.000 0.905 202 Q HN 0.314 nan 8.270 nan 0.000 0.429 203 D N -0.237 120.170 120.400 0.012 0.000 2.360 203 D HA 0.031 4.688 4.640 0.028 0.000 0.210 203 D C -0.169 176.119 176.300 -0.020 0.000 1.047 203 D CA 0.300 54.296 54.000 -0.007 0.000 0.854 203 D CB 0.320 41.101 40.800 -0.033 0.000 0.936 203 D HN 0.029 nan 8.370 nan 0.000 0.514 204 K N 1.374 121.768 120.400 -0.009 0.000 2.121 204 K HA 0.097 4.434 4.320 0.028 0.000 0.235 204 K C 1.156 177.757 176.600 0.002 0.000 1.200 204 K CA 0.008 56.277 56.287 -0.030 0.000 1.115 204 K CB 0.262 32.770 32.500 0.015 0.000 1.474 204 K HN -0.099 nan 8.250 nan 0.000 0.295 205 K N 0.759 121.164 120.400 0.009 0.000 2.442 205 K HA -0.102 4.235 4.320 0.028 0.000 0.198 205 K C 0.502 177.099 176.600 -0.004 0.000 1.042 205 K CA 0.899 57.199 56.287 0.021 0.000 0.958 205 K CB 0.028 32.571 32.500 0.071 0.000 0.766 205 K HN 0.436 nan 8.250 nan 0.000 0.474 206 N N 0.193 118.885 118.700 -0.013 0.000 2.458 206 N HA 0.083 4.840 4.740 0.028 0.000 0.274 206 N C -0.534 174.924 175.510 -0.087 0.000 1.242 206 N CA -0.073 52.960 53.050 -0.028 0.000 0.904 206 N CB 0.412 38.905 38.487 0.010 0.000 1.206 206 N HN -0.122 nan 8.380 nan 0.000 0.510 207 M N 0.588 120.078 119.600 -0.184 0.000 2.484 207 M HA 0.422 4.919 4.480 0.028 0.000 0.289 207 M C -1.287 174.674 176.300 -0.565 0.000 1.206 207 M CA -0.398 54.701 55.300 -0.335 0.000 0.892 207 M CB 2.637 35.018 32.600 -0.365 0.000 1.712 207 M HN -0.039 nan 8.290 nan 0.000 0.462 208 L N 2.213 123.116 121.223 -0.533 0.000 2.317 208 L HA 0.616 4.973 4.340 0.028 0.000 0.281 208 L C -1.146 175.362 176.870 -0.603 0.000 1.024 208 L CA -0.495 54.045 54.840 -0.500 0.000 0.810 208 L CB 1.211 43.127 42.059 -0.238 0.000 1.240 208 L HN 0.514 nan 8.230 nan 0.000 0.427 209 F N 0.322 120.249 119.950 -0.039 0.000 2.450 209 F HA 0.281 4.825 4.527 0.028 0.000 0.332 209 F C 0.922 176.699 175.800 -0.039 0.000 1.093 209 F CA -0.703 57.272 58.000 -0.042 0.000 1.003 209 F CB 1.821 40.788 39.000 -0.054 0.000 1.151 209 F HN 0.406 nan 8.300 nan 0.000 0.474 210 S N 1.937 117.721 115.700 0.141 0.000 2.544 210 S HA 0.377 4.863 4.470 0.028 0.000 0.290 210 S C 0.958 175.602 174.600 0.073 0.000 1.276 210 S CA 0.815 59.063 58.200 0.079 0.000 1.075 210 S CB -0.148 63.093 63.200 0.067 0.000 0.849 210 S HN 1.193 nan 8.310 nan 0.000 0.494 211 G N 3.603 112.441 108.800 0.063 0.000 2.339 211 G HA2 -0.203 3.773 3.960 0.028 0.000 0.209 211 G HA3 -0.203 3.773 3.960 0.028 0.000 0.209 211 G C 0.269 175.185 174.900 0.026 0.000 1.015 211 G CA 0.017 45.149 45.100 0.052 0.000 0.635 211 G HN 0.956 nan 8.290 nan 0.000 0.499 212 T N 3.426 118.000 114.554 0.034 0.000 2.918 212 T HA 0.491 4.858 4.350 0.028 0.000 0.302 212 T C 0.161 174.878 174.700 0.030 0.000 1.045 212 T CA 0.411 62.529 62.100 0.030 0.000 1.114 212 T CB 0.931 69.834 68.868 0.059 0.000 0.965 212 T HN 0.698 nan 8.240 nan 0.000 0.540 213 N N 1.856 120.572 118.700 0.027 0.000 2.319 213 N HA 0.366 5.123 4.740 0.028 0.000 0.305 213 N C -0.939 174.576 175.510 0.009 0.000 1.103 213 N CA -0.826 52.238 53.050 0.023 0.000 0.815 213 N CB 1.702 40.211 38.487 0.037 0.000 1.288 213 N HN 0.467 nan 8.380 nan 0.000 0.493 214 I N 1.460 122.030 120.570 -0.000 0.000 2.396 214 I HA 0.084 4.271 4.170 0.028 0.000 0.289 214 I C 1.537 177.651 176.117 -0.004 0.000 1.056 214 I CA -0.364 60.930 61.300 -0.010 0.000 1.365 214 I CB 1.113 39.102 38.000 -0.019 0.000 1.407 214 I HN 0.728 nan 8.210 nan 0.000 0.509 215 A N 6.050 128.868 122.820 -0.004 0.000 1.832 215 A HA 0.303 4.640 4.320 0.028 0.000 0.214 215 A C 1.109 178.691 177.584 -0.003 0.000 1.204 215 A CA 1.419 53.456 52.037 0.000 0.000 0.606 215 A CB -0.095 18.906 19.000 0.003 0.000 0.849 215 A HN 0.754 nan 8.150 nan 0.000 0.445 216 A N -3.304 119.511 122.820 -0.008 0.000 2.479 216 A HA 0.681 5.018 4.320 0.028 0.000 0.296 216 A C 0.600 178.174 177.584 -0.016 0.000 1.121 216 A CA 0.052 52.084 52.037 -0.008 0.000 0.743 216 A CB 0.407 19.405 19.000 -0.005 0.000 1.323 216 A HN 2.325 nan 8.150 nan 0.000 0.415 217 G N -0.192 108.599 108.800 -0.015 0.000 2.725 217 G HA2 0.172 4.149 3.960 0.028 0.000 0.220 217 G HA3 0.172 4.149 3.960 0.028 0.000 0.220 217 G C -0.385 174.501 174.900 -0.023 0.000 1.357 217 G CA 0.160 45.248 45.100 -0.021 0.000 0.866 217 G HN 1.540 nan 8.290 nan 0.000 0.548 218 K N -0.571 119.812 120.400 -0.028 0.000 2.565 218 K HA 0.712 5.049 4.320 0.028 0.000 0.251 218 K C -0.425 176.148 176.600 -0.043 0.000 0.956 218 K CA -0.044 56.223 56.287 -0.032 0.000 0.809 218 K CB 1.311 33.798 32.500 -0.022 0.000 1.267 218 K HN 2.085 nan 8.250 nan 0.000 0.438 219 A N 3.255 126.041 122.820 -0.058 0.000 2.532 219 A HA 0.796 5.132 4.320 0.028 0.000 0.290 219 A C -1.940 175.586 177.584 -0.097 0.000 1.143 219 A CA -0.872 51.123 52.037 -0.071 0.000 0.728 219 A CB 1.585 20.542 19.000 -0.072 0.000 1.317 219 A HN 0.710 nan 8.150 nan 0.000 0.414 220 L N 0.149 121.307 121.223 -0.108 0.000 2.386 220 L HA 0.937 5.294 4.340 0.028 0.000 0.271 220 L C -0.082 176.716 176.870 -0.121 0.000 0.993 220 L CA 0.397 55.146 54.840 -0.152 0.000 0.819 220 L CB 2.082 44.023 42.059 -0.197 0.000 1.294 220 L HN 1.253 nan 8.230 nan 0.000 0.414 221 G N 3.682 112.406 108.800 -0.126 0.000 2.687 221 G HA2 0.459 4.436 3.960 0.028 0.000 0.291 221 G HA3 0.459 4.436 3.960 0.028 0.000 0.291 221 G C -1.986 172.854 174.900 -0.100 0.000 1.420 221 G CA -0.737 44.305 45.100 -0.097 0.000 0.796 221 G HN 0.827 nan 8.290 nan 0.000 0.485 222 I N 1.047 121.569 120.570 -0.080 0.000 2.354 222 I HA 0.513 4.700 4.170 0.028 0.000 0.292 222 I C -0.042 176.000 176.117 -0.124 0.000 0.989 222 I CA -0.825 60.416 61.300 -0.098 0.000 1.188 222 I CB 1.339 39.304 38.000 -0.057 0.000 1.342 222 I HN 0.227 nan 8.210 nan 0.000 0.457 223 V N 8.269 128.086 119.914 -0.161 0.000 2.617 223 V HA 0.004 4.141 4.120 0.028 0.000 0.304 223 V C 1.150 177.129 176.094 -0.192 0.000 1.040 223 V CA 1.053 63.260 62.300 -0.154 0.000 1.149 223 V CB 0.837 32.575 31.823 -0.143 0.000 0.914 223 V HN 0.995 nan 8.190 nan 0.000 0.487 224 A N 4.462 127.223 122.820 -0.099 0.000 1.963 224 A HA 0.352 4.688 4.320 0.028 0.000 0.207 224 A C 0.944 178.494 177.584 -0.057 0.000 1.243 224 A CA 0.961 52.978 52.037 -0.033 0.000 0.728 224 A CB 0.299 19.294 19.000 -0.009 0.000 0.895 224 A HN 0.890 nan 8.150 nan 0.000 0.467 225 T N -2.161 112.352 114.554 -0.068 0.000 2.923 225 T HA 0.584 4.951 4.350 0.028 0.000 0.311 225 T C -0.551 174.119 174.700 -0.050 0.000 1.183 225 T CA 0.106 62.154 62.100 -0.087 0.000 1.020 225 T CB 1.548 70.380 68.868 -0.060 0.000 1.165 225 T HN 0.623 nan 8.240 nan 0.000 0.482 226 T N -1.200 113.325 114.554 -0.048 0.000 2.864 226 T HA 0.869 5.236 4.350 0.028 0.000 0.289 226 T C 0.911 175.624 174.700 0.021 0.000 1.082 226 T CA -0.088 62.014 62.100 0.003 0.000 1.009 226 T CB 1.087 69.971 68.868 0.027 0.000 1.234 226 T HN 2.198 nan 8.240 nan 0.000 0.526 227 G N 0.080 108.906 108.800 0.044 0.000 2.598 227 G HA2 -0.258 3.719 3.960 0.028 0.000 0.269 227 G HA3 -0.258 3.719 3.960 0.028 0.000 0.269 227 G C 1.078 175.998 174.900 0.033 0.000 1.289 227 G CA 1.396 46.526 45.100 0.049 0.000 0.926 227 G HN 2.088 nan 8.290 nan 0.000 0.567 228 V N -2.517 117.417 119.914 0.032 0.000 2.794 228 V HA -0.009 4.128 4.120 0.028 0.000 0.260 228 V C 2.182 178.282 176.094 0.010 0.000 1.103 228 V CA 2.822 65.134 62.300 0.020 0.000 1.125 228 V CB -0.658 31.177 31.823 0.020 0.000 0.702 228 V HN 1.062 nan 8.190 nan 0.000 0.494 229 S N 1.307 117.011 115.700 0.007 0.000 2.942 229 S HA 0.180 4.667 4.470 0.028 0.000 0.244 229 S C 0.740 175.338 174.600 -0.003 0.000 1.011 229 S CA 0.623 58.819 58.200 -0.007 0.000 1.102 229 S CB -1.002 62.181 63.200 -0.028 0.000 0.812 229 S HN 0.999 nan 8.310 nan 0.000 0.486 230 T N -2.312 112.245 114.554 0.006 0.000 2.906 230 T HA 0.436 4.803 4.350 0.028 0.000 0.295 230 T C 0.693 175.393 174.700 -0.000 0.000 1.075 230 T CA -0.874 61.239 62.100 0.022 0.000 1.005 230 T CB 1.371 70.263 68.868 0.040 0.000 1.136 230 T HN -0.187 nan 8.240 nan 0.000 0.498 231 E N 0.770 120.966 120.200 -0.007 0.000 2.164 231 E HA -0.169 4.198 4.350 0.028 0.000 0.206 231 E C 1.817 178.360 176.600 -0.095 0.000 1.032 231 E CA 1.567 57.902 56.400 -0.108 0.000 0.832 231 E CB -0.567 28.965 29.700 -0.281 0.000 0.742 231 E HN 0.763 nan 8.360 nan 0.000 0.460 232 I N -0.324 120.218 120.570 -0.048 0.000 2.333 232 I HA -0.022 4.165 4.170 0.028 0.000 0.246 232 I C 2.506 178.613 176.117 -0.016 0.000 1.106 232 I CA 1.393 62.671 61.300 -0.037 0.000 1.411 232 I CB -1.148 36.850 38.000 -0.003 0.000 1.082 232 I HN 0.034 nan 8.210 nan 0.000 0.420 233 G N 0.825 109.624 108.800 -0.002 0.000 2.422 233 G HA2 -0.184 3.793 3.960 0.028 0.000 0.218 233 G HA3 -0.184 3.793 3.960 0.028 0.000 0.218 233 G C 1.758 176.653 174.900 -0.008 0.000 1.140 233 G CA 0.505 45.608 45.100 0.004 0.000 0.775 233 G HN 0.322 nan 8.290 nan 0.000 0.545 234 K N -0.161 120.226 120.400 -0.022 0.000 2.025 234 K HA 0.080 4.417 4.320 0.028 0.000 0.207 234 K C 2.417 178.994 176.600 -0.038 0.000 1.049 234 K CA 0.790 57.058 56.287 -0.031 0.000 0.933 234 K CB -0.221 32.253 32.500 -0.043 0.000 0.714 234 K HN 0.305 nan 8.250 nan 0.000 0.438 235 I N 1.033 121.574 120.570 -0.048 0.000 2.286 235 I HA -0.279 3.908 4.170 0.028 0.000 0.248 235 I C 2.713 178.812 176.117 -0.031 0.000 1.115 235 I CA 0.839 62.110 61.300 -0.050 0.000 1.392 235 I CB -0.215 37.748 38.000 -0.062 0.000 1.065 235 I HN 0.182 nan 8.210 nan 0.000 0.418 236 R N 1.285 121.774 120.500 -0.018 0.000 2.070 236 R HA -0.209 4.148 4.340 0.028 0.000 0.233 236 R C 1.683 177.977 176.300 -0.010 0.000 1.137 236 R CA 2.160 58.256 56.100 -0.006 0.000 0.945 236 R CB -0.621 29.682 30.300 0.005 0.000 0.845 236 R HN 0.267 nan 8.270 nan 0.000 0.430 237 D N 0.800 121.193 120.400 -0.011 0.000 2.123 237 D HA -0.169 4.488 4.640 0.028 0.000 0.196 237 D C 2.118 178.407 176.300 -0.018 0.000 0.992 237 D CA 1.226 55.219 54.000 -0.011 0.000 0.833 237 D CB -0.203 40.591 40.800 -0.010 0.000 0.954 237 D HN 0.396 nan 8.370 nan 0.000 0.455 238 Q N -0.566 119.219 119.800 -0.025 0.000 2.096 238 Q HA -0.115 4.242 4.340 0.028 0.000 0.204 238 Q C 2.313 178.296 176.000 -0.029 0.000 0.982 238 Q CA 1.169 56.953 55.803 -0.032 0.000 0.850 238 Q CB -0.079 28.635 28.738 -0.041 0.000 0.901 238 Q HN 0.364 nan 8.270 nan 0.000 0.422 239 M N -0.399 119.186 119.600 -0.026 0.000 2.132 239 M HA -0.104 4.393 4.480 0.028 0.000 0.263 239 M C 2.375 178.664 176.300 -0.019 0.000 1.065 239 M CA 1.305 56.591 55.300 -0.023 0.000 1.122 239 M CB -0.282 32.307 32.600 -0.018 0.000 1.365 239 M HN 0.213 nan 8.290 nan 0.000 0.411 240 A N 0.614 123.425 122.820 -0.015 0.000 1.908 240 A HA -0.039 4.298 4.320 0.028 0.000 0.218 240 A C 2.236 179.812 177.584 -0.014 0.000 1.181 240 A CA 1.901 53.931 52.037 -0.012 0.000 0.627 240 A CB -0.868 18.128 19.000 -0.007 0.000 0.818 240 A HN 0.508 nan 8.150 nan 0.000 0.445 241 A N -0.370 122.440 122.820 -0.016 0.000 2.235 241 A HA 0.323 4.660 4.320 0.028 0.000 0.208 241 A C 1.138 178.709 177.584 -0.022 0.000 1.172 241 A CA 1.078 53.105 52.037 -0.018 0.000 0.786 241 A CB -0.937 18.051 19.000 -0.019 0.000 0.804 241 A HN 0.639 nan 8.150 nan 0.000 0.479 242 T N -1.622 112.918 114.554 -0.024 0.000 2.823 242 T HA 0.636 5.002 4.350 0.028 0.000 0.279 242 T C -0.826 173.860 174.700 -0.023 0.000 0.998 242 T CA -0.686 61.398 62.100 -0.027 0.000 0.994 242 T CB 1.657 70.506 68.868 -0.031 0.000 0.960 242 T HN 0.286 nan 8.240 nan 0.000 0.448 243 E N 2.111 122.298 120.200 -0.023 0.000 2.216 243 E HA 0.214 4.581 4.350 0.028 0.000 0.260 243 E C -0.705 175.882 176.600 -0.021 0.000 0.880 243 E CA -0.647 55.741 56.400 -0.021 0.000 0.765 243 E CB 2.204 31.893 29.700 -0.018 0.000 1.174 243 E HN 0.691 nan 8.360 nan 0.000 0.417 244 Q N 3.088 122.875 119.800 -0.021 0.000 2.313 244 Q HA 0.019 4.376 4.340 0.028 0.000 0.266 244 Q C -0.443 175.546 176.000 -0.019 0.000 0.989 244 Q CA -0.198 55.593 55.803 -0.021 0.000 0.890 244 Q CB 0.689 29.413 28.738 -0.022 0.000 1.200 244 Q HN 0.409 nan 8.270 nan 0.000 0.396 245 D N 3.279 123.668 120.400 -0.017 0.000 2.357 245 D HA 0.066 4.723 4.640 0.028 0.000 0.242 245 D C -0.413 175.878 176.300 -0.015 0.000 1.153 245 D CA 0.124 54.115 54.000 -0.015 0.000 0.918 245 D CB 0.731 41.523 40.800 -0.013 0.000 1.181 245 D HN 0.417 nan 8.370 nan 0.000 0.435 246 K N 0.387 120.780 120.400 -0.012 0.000 2.382 246 K HA 0.085 4.422 4.320 0.028 0.000 0.275 246 K C 0.667 177.259 176.600 -0.014 0.000 1.009 246 K CA -0.132 56.148 56.287 -0.011 0.000 0.970 246 K CB 0.445 32.942 32.500 -0.006 0.000 0.934 246 K HN 0.346 nan 8.250 nan 0.000 0.479 247 T N 2.119 116.663 114.554 -0.017 0.000 2.903 247 T HA 0.038 4.405 4.350 0.028 0.000 0.314 247 T C -1.122 173.563 174.700 -0.026 0.000 1.078 247 T CA -1.464 60.619 62.100 -0.027 0.000 1.114 247 T CB 0.521 69.370 68.868 -0.032 0.000 0.987 247 T HN 0.395 nan 8.240 nan 0.000 0.548 248 P HA -0.172 nan 4.420 nan 0.000 0.215 248 P C 1.767 179.058 177.300 -0.014 0.000 1.163 248 P CA 1.023 64.099 63.100 -0.039 0.000 0.894 248 P CB -0.062 31.588 31.700 -0.082 0.000 0.791 249 L N 0.346 121.558 121.223 -0.019 0.000 1.970 249 L HA -0.174 4.183 4.340 0.028 0.000 0.212 249 L C 2.694 179.584 176.870 0.033 0.000 1.071 249 L CA 1.989 56.854 54.840 0.041 0.000 0.751 249 L CB -1.849 40.254 42.059 0.073 0.000 0.889 249 L HN -0.110 nan 8.230 nan 0.000 0.432 250 Q N -0.981 118.831 119.800 0.020 0.000 2.376 250 Q HA -0.286 4.071 4.340 0.028 0.000 0.211 250 Q C 2.197 178.212 176.000 0.025 0.000 0.986 250 Q CA 1.726 57.542 55.803 0.022 0.000 0.886 250 Q CB -0.150 28.595 28.738 0.012 0.000 0.927 250 Q HN 0.677 nan 8.270 nan 0.000 0.457 251 Q N -0.260 119.552 119.800 0.021 0.000 2.269 251 Q HA -0.081 4.276 4.340 0.028 0.000 0.201 251 Q C 1.495 177.519 176.000 0.040 0.000 0.946 251 Q CA 0.512 56.330 55.803 0.024 0.000 0.877 251 Q CB 0.443 29.189 28.738 0.013 0.000 0.963 251 Q HN 0.076 nan 8.270 nan 0.000 0.472 252 K N 0.483 120.910 120.400 0.045 0.000 2.021 252 K HA -0.029 4.308 4.320 0.028 0.000 0.205 252 K C 1.953 178.607 176.600 0.090 0.000 1.047 252 K CA 0.740 57.062 56.287 0.059 0.000 0.943 252 K CB -0.436 32.089 32.500 0.042 0.000 0.725 252 K HN 0.265 nan 8.250 nan 0.000 0.439 253 L N 1.579 122.846 121.223 0.073 0.000 2.450 253 L HA -0.208 4.149 4.340 0.028 0.000 0.225 253 L C 1.488 178.448 176.870 0.151 0.000 1.145 253 L CA 0.942 55.850 54.840 0.113 0.000 0.801 253 L CB -0.327 41.774 42.059 0.070 0.000 0.924 253 L HN 0.159 nan 8.230 nan 0.000 0.447 254 D N -0.799 119.663 120.400 0.103 0.000 2.338 254 D HA -0.120 4.537 4.640 0.028 0.000 0.224 254 D C 1.923 178.269 176.300 0.076 0.000 0.967 254 D CA 0.548 54.593 54.000 0.074 0.000 0.896 254 D CB 0.254 41.079 40.800 0.042 0.000 1.028 254 D HN 0.335 nan 8.370 nan 0.000 0.493 255 E N 0.225 120.479 120.200 0.089 0.000 2.085 255 E HA -0.210 4.157 4.350 0.028 0.000 0.194 255 E C 1.981 178.651 176.600 0.116 0.000 0.994 255 E CA 0.793 57.242 56.400 0.082 0.000 0.801 255 E CB -0.141 29.608 29.700 0.082 0.000 0.743 255 E HN 0.096 nan 8.360 nan 0.000 0.453 256 F N 1.055 121.004 119.950 -0.000 0.000 2.046 256 F HA -0.061 4.482 4.527 0.027 0.000 0.297 256 F C 2.159 177.956 175.800 -0.005 0.000 1.123 256 F CA 2.197 60.196 58.000 -0.003 0.000 1.199 256 F CB -1.044 37.953 39.000 -0.007 0.000 0.972 256 F HN 0.090 nan 8.300 nan 0.000 0.474 257 G N -0.338 108.452 108.800 -0.016 0.000 2.545 257 G HA2 -0.314 3.663 3.960 0.028 0.000 0.222 257 G HA3 -0.314 3.663 3.960 0.028 0.000 0.222 257 G C 1.577 176.380 174.900 -0.161 0.000 1.126 257 G CA 1.263 46.280 45.100 -0.137 0.000 0.754 257 G HN 0.508 nan 8.290 nan 0.000 0.583 258 E N -0.363 119.781 120.200 -0.092 0.000 2.021 258 E HA -0.074 4.293 4.350 0.028 0.000 0.189 258 E C 2.750 179.288 176.600 -0.104 0.000 0.980 258 E CA 0.659 57.012 56.400 -0.078 0.000 0.803 258 E CB -0.149 29.530 29.700 -0.034 0.000 0.766 258 E HN 0.277 nan 8.360 nan 0.000 0.449 259 Q N 0.551 120.294 119.800 -0.094 0.000 2.234 259 Q HA -0.175 4.182 4.340 0.028 0.000 0.206 259 Q C 2.248 178.154 176.000 -0.157 0.000 0.980 259 Q CA 0.809 56.560 55.803 -0.087 0.000 0.869 259 Q CB -0.231 28.488 28.738 -0.032 0.000 0.912 259 Q HN 0.212 nan 8.270 nan 0.000 0.436 260 L N 0.173 121.219 121.223 -0.296 0.000 1.993 260 L HA -0.062 4.295 4.340 0.028 0.000 0.206 260 L C 2.336 179.071 176.870 -0.225 0.000 1.074 260 L CA 2.124 56.743 54.840 -0.369 0.000 0.746 260 L CB -1.196 40.441 42.059 -0.702 0.000 0.896 260 L HN 0.071 nan 8.230 nan 0.000 0.435 261 S N -1.024 114.558 115.700 -0.197 0.000 2.428 261 S HA -0.305 4.182 4.470 0.028 0.000 0.240 261 S C 2.110 176.648 174.600 -0.104 0.000 1.036 261 S CA 1.917 60.038 58.200 -0.131 0.000 1.009 261 S CB -0.356 62.782 63.200 -0.103 0.000 0.803 261 S HN 0.468 nan 8.310 nan 0.000 0.486 262 K N 0.642 120.982 120.400 -0.100 0.000 2.044 262 K HA 0.189 4.526 4.320 0.028 0.000 0.204 262 K C 1.873 178.428 176.600 -0.075 0.000 1.045 262 K CA 1.408 57.651 56.287 -0.075 0.000 0.951 262 K CB -0.808 31.656 32.500 -0.060 0.000 0.738 262 K HN 0.224 nan 8.250 nan 0.000 0.443 263 V N 1.552 121.414 119.914 -0.086 0.000 2.469 263 V HA -0.235 3.901 4.120 0.028 0.000 0.251 263 V C 2.208 178.248 176.094 -0.091 0.000 1.064 263 V CA 1.677 63.927 62.300 -0.083 0.000 1.066 263 V CB -0.458 31.314 31.823 -0.085 0.000 0.667 263 V HN 0.279 nan 8.190 nan 0.000 0.461 264 I N 1.068 121.579 120.570 -0.098 0.000 2.127 264 I HA -0.250 3.936 4.170 0.028 0.000 0.241 264 I C 2.644 178.716 176.117 -0.075 0.000 1.075 264 I CA 2.100 63.346 61.300 -0.089 0.000 1.334 264 I CB -0.514 37.429 38.000 -0.094 0.000 1.040 264 I HN 0.512 nan 8.210 nan 0.000 0.405 265 S N 0.787 116.443 115.700 -0.074 0.000 2.453 265 S HA -0.077 4.410 4.470 0.028 0.000 0.231 265 S C 2.039 176.612 174.600 -0.045 0.000 1.005 265 S CA 0.290 58.450 58.200 -0.066 0.000 0.949 265 S CB -0.465 62.692 63.200 -0.071 0.000 0.774 265 S HN 0.365 nan 8.310 nan 0.000 0.510 266 L N 1.396 122.591 121.223 -0.047 0.000 2.191 266 L HA 0.140 4.496 4.340 0.028 0.000 0.212 266 L C 1.915 178.770 176.870 -0.025 0.000 1.103 266 L CA 1.621 56.441 54.840 -0.033 0.000 0.769 266 L CB -0.841 41.191 42.059 -0.046 0.000 0.908 266 L HN 0.416 nan 8.230 nan 0.000 0.438 267 I N -1.585 118.958 120.570 -0.044 0.000 3.030 267 I HA -0.204 3.982 4.170 0.028 0.000 0.270 267 I C 2.348 178.505 176.117 0.065 0.000 1.211 267 I CA 0.188 61.474 61.300 -0.024 0.000 1.479 267 I CB -0.153 37.792 38.000 -0.092 0.000 1.105 267 I HN 0.233 nan 8.210 nan 0.000 0.447 268 C N 0.262 119.576 119.300 0.024 0.000 2.472 268 C HA -0.032 4.445 4.460 0.028 0.000 0.278 268 C C 2.674 177.715 174.990 0.086 0.000 1.447 268 C CA 0.369 59.405 59.018 0.029 0.000 1.773 268 C CB -0.712 27.002 27.740 -0.043 0.000 1.793 268 C HN 0.330 nan 8.230 nan 0.000 0.544 269 V N 0.775 120.746 119.914 0.095 0.000 2.599 269 V HA -0.025 4.111 4.120 0.028 0.000 0.245 269 V C 2.654 178.874 176.094 0.210 0.000 1.046 269 V CA 1.769 64.160 62.300 0.152 0.000 1.065 269 V CB -1.045 30.840 31.823 0.103 0.000 0.703 269 V HN 0.502 nan 8.190 nan 0.000 0.464 270 A N 0.139 123.071 122.820 0.186 0.000 1.940 270 A HA -0.149 4.188 4.320 0.028 0.000 0.219 270 A C 2.378 180.103 177.584 0.235 0.000 1.176 270 A CA 2.055 54.229 52.037 0.228 0.000 0.631 270 A CB -0.606 18.584 19.000 0.315 0.000 0.814 270 A HN 0.312 nan 8.150 nan 0.000 0.446 271 V N -2.275 117.781 119.914 0.237 0.000 2.216 271 V HA -0.260 3.877 4.120 0.028 0.000 0.243 271 V C 2.129 178.382 176.094 0.266 0.000 1.044 271 V CA 1.937 64.349 62.300 0.188 0.000 0.995 271 V CB -0.967 30.931 31.823 0.124 0.000 0.633 271 V HN 0.868 nan 8.190 nan 0.000 0.446 272 W N -0.078 121.311 121.300 0.149 0.000 2.632 272 W HA -0.077 4.599 4.660 0.027 0.000 0.248 272 W C 1.964 178.561 176.519 0.130 0.000 1.259 272 W CA 1.467 58.937 57.345 0.208 0.000 1.288 272 W CB 0.008 29.581 29.460 0.189 0.000 1.136 272 W HN 0.244 nan 8.180 nan 0.000 0.640 273 L N -0.824 120.525 121.223 0.211 0.000 2.388 273 L HA 0.013 4.370 4.340 0.028 0.000 0.209 273 L C 1.916 178.803 176.870 0.028 0.000 1.061 273 L CA 0.398 55.281 54.840 0.072 0.000 0.834 273 L CB -0.359 41.774 42.059 0.124 0.000 1.029 273 L HN -0.238 nan 8.230 nan 0.000 0.473 274 I N 0.585 121.197 120.570 0.070 0.000 2.676 274 I HA -0.128 4.059 4.170 0.028 0.000 0.259 274 I C 0.531 176.667 176.117 0.032 0.000 1.194 274 I CA 0.745 62.070 61.300 0.041 0.000 1.473 274 I CB -1.176 36.843 38.000 0.032 0.000 1.096 274 I HN 0.341 nan 8.210 nan 0.000 0.443 275 N N 1.909 120.639 118.700 0.050 0.000 2.605 275 N HA 0.096 4.853 4.740 0.028 0.000 0.282 275 N C 0.953 176.479 175.510 0.027 0.000 1.206 275 N CA -0.068 53.032 53.050 0.084 0.000 1.074 275 N CB 0.581 39.162 38.487 0.157 0.000 1.434 275 N HN 0.301 nan 8.380 nan 0.000 0.506 276 I N -0.302 120.284 120.570 0.027 0.000 4.070 276 I HA 0.101 4.287 4.170 0.028 0.000 0.328 276 I C 2.043 178.204 176.117 0.073 0.000 1.298 276 I CA 0.121 61.422 61.300 -0.000 0.000 1.173 276 I CB 0.520 38.505 38.000 -0.025 0.000 1.051 276 I HN 0.427 nan 8.210 nan 0.000 0.409 277 G N -0.487 108.367 108.800 0.089 0.000 2.576 277 G HA2 -0.132 3.845 3.960 0.028 0.000 0.210 277 G HA3 -0.132 3.845 3.960 0.028 0.000 0.210 277 G C 1.445 176.419 174.900 0.122 0.000 1.143 277 G CA 0.045 45.188 45.100 0.072 0.000 0.819 277 G HN 0.246 nan 8.290 nan 0.000 0.534 278 H N -0.212 118.913 119.070 0.091 0.000 2.543 278 H HA 0.034 4.606 4.556 0.028 0.000 0.286 278 H C 1.605 177.031 175.328 0.164 0.000 1.037 278 H CA 0.229 56.347 56.048 0.117 0.000 1.250 278 H CB -0.061 29.795 29.762 0.157 0.000 1.373 278 H HN 0.333 nan 8.280 nan 0.000 0.580 279 F N 0.220 120.260 119.950 0.150 0.000 2.558 279 F HA -0.038 4.506 4.527 0.028 0.000 0.298 279 F C 1.505 177.346 175.800 0.068 0.000 1.119 279 F CA 0.568 58.617 58.000 0.080 0.000 1.451 279 F CB 0.320 39.322 39.000 0.003 0.000 1.091 279 F HN 0.108 nan 8.300 nan 0.000 0.563 280 N N -0.571 118.190 118.700 0.100 0.000 2.905 280 N HA -0.049 4.708 4.740 0.028 0.000 0.237 280 N C 1.300 176.808 175.510 -0.004 0.000 1.017 280 N CA 0.741 53.796 53.050 0.007 0.000 1.127 280 N CB -0.618 37.905 38.487 0.060 0.000 1.608 280 N HN 0.070 nan 8.380 nan 0.000 0.522 281 D N 2.211 122.611 120.400 0.001 0.000 2.160 281 D HA -0.102 4.555 4.640 0.028 0.000 0.189 281 D C -1.397 174.900 176.300 -0.005 0.000 1.003 281 D CA 1.088 55.077 54.000 -0.018 0.000 0.846 281 D CB -1.874 38.888 40.800 -0.063 0.000 0.949 281 D HN 0.231 nan 8.370 nan 0.000 0.446 282 P HA -0.078 nan 4.420 nan 0.000 0.247 282 P C 0.246 177.586 177.300 0.067 0.000 1.141 282 P CA 0.191 63.324 63.100 0.056 0.000 0.858 282 P CB 0.351 32.172 31.700 0.201 0.000 0.804 283 V N 2.299 122.251 119.914 0.062 0.000 4.813 283 V HA 0.422 4.559 4.120 0.028 0.000 0.275 283 V C 1.001 177.163 176.094 0.115 0.000 1.377 283 V CA -0.436 61.919 62.300 0.093 0.000 0.774 283 V CB -0.195 31.709 31.823 0.135 0.000 1.308 283 V HN 0.546 nan 8.190 nan 0.000 0.426 284 H N 0.433 119.513 119.070 0.017 0.000 2.871 284 H HA 0.431 5.004 4.556 0.028 0.000 0.377 284 H C 0.755 176.107 175.328 0.040 0.000 1.307 284 H CA 0.256 56.318 56.048 0.023 0.000 1.449 284 H CB 0.503 30.270 29.762 0.008 0.000 1.452 284 H HN 1.691 nan 8.280 nan 0.000 0.619 285 G N -1.230 107.470 108.800 -0.167 0.000 2.425 285 G HA2 -0.046 3.931 3.960 0.028 0.000 0.177 285 G HA3 -0.046 3.931 3.960 0.028 0.000 0.177 285 G C 1.078 175.971 174.900 -0.012 0.000 0.999 285 G CA 0.486 45.466 45.100 -0.199 0.000 0.723 285 G HN 1.661 nan 8.290 nan 0.000 0.491 286 G N -0.185 108.656 108.800 0.069 0.000 2.148 286 G HA2 -0.168 3.809 3.960 0.028 0.000 0.254 286 G HA3 -0.168 3.809 3.960 0.028 0.000 0.254 286 G C 1.064 176.058 174.900 0.156 0.000 0.981 286 G CA 1.043 46.223 45.100 0.133 0.000 0.670 286 G HN 1.508 nan 8.290 nan 0.000 0.528 287 S N -0.845 114.936 115.700 0.135 0.000 2.660 287 S HA 0.079 4.566 4.470 0.028 0.000 0.223 287 S C 1.500 176.207 174.600 0.178 0.000 0.963 287 S CA 0.897 59.177 58.200 0.134 0.000 0.932 287 S CB -0.233 63.038 63.200 0.118 0.000 0.775 287 S HN 0.710 nan 8.310 nan 0.000 0.531 288 W N 1.728 123.050 121.300 0.037 0.000 2.338 288 W HA -0.079 4.599 4.660 0.029 0.000 0.304 288 W C 1.415 177.935 176.519 0.002 0.000 1.212 288 W CA 0.949 58.307 57.345 0.022 0.000 1.264 288 W CB -0.240 29.229 29.460 0.015 0.000 1.142 288 W HN 0.323 nan 8.180 nan 0.000 0.512 289 I N -0.189 120.252 120.570 -0.216 0.000 4.139 289 I HA 0.191 4.378 4.170 0.028 0.000 0.320 289 I C 2.409 178.412 176.117 -0.190 0.000 1.290 289 I CA 0.475 61.504 61.300 -0.453 0.000 1.253 289 I CB -0.496 37.234 38.000 -0.449 0.000 1.122 289 I HN -0.079 nan 8.210 nan 0.000 0.421 290 R N 0.026 120.509 120.500 -0.028 0.000 2.236 290 R HA 0.049 4.406 4.340 0.028 0.000 0.208 290 R C 1.657 177.991 176.300 0.057 0.000 1.036 290 R CA 1.175 57.294 56.100 0.033 0.000 1.001 290 R CB -0.125 30.218 30.300 0.072 0.000 0.896 290 R HN 0.423 nan 8.270 nan 0.000 0.464 291 G N -1.234 107.608 108.800 0.069 0.000 2.939 291 G HA2 0.088 4.065 3.960 0.028 0.000 0.216 291 G HA3 0.088 4.065 3.960 0.028 0.000 0.216 291 G C 1.035 176.065 174.900 0.217 0.000 1.125 291 G CA 0.343 45.533 45.100 0.151 0.000 0.766 291 G HN 0.292 nan 8.290 nan 0.000 0.541 292 A N 0.552 123.407 122.820 0.058 0.000 2.169 292 A HA 0.333 4.670 4.320 0.028 0.000 0.212 292 A C 2.024 179.711 177.584 0.172 0.000 1.153 292 A CA 0.139 52.188 52.037 0.019 0.000 0.756 292 A CB -0.215 18.575 19.000 -0.351 0.000 0.813 292 A HN 0.326 nan 8.150 nan 0.000 0.471 293 I N -1.311 119.303 120.570 0.073 0.000 2.756 293 I HA -0.235 3.952 4.170 0.028 0.000 0.262 293 I C 2.209 178.489 176.117 0.272 0.000 1.225 293 I CA 1.022 62.347 61.300 0.042 0.000 1.472 293 I CB -0.246 37.741 38.000 -0.022 0.000 1.094 293 I HN 0.581 nan 8.210 nan 0.000 0.454 294 Y N 1.007 121.451 120.300 0.241 0.000 2.274 294 Y HA -0.281 4.285 4.550 0.027 0.000 0.290 294 Y C 1.914 177.914 175.900 0.167 0.000 1.145 294 Y CA 1.553 59.754 58.100 0.168 0.000 1.203 294 Y CB -0.412 38.099 38.460 0.084 0.000 0.984 294 Y HN 0.156 nan 8.280 nan 0.000 0.533 295 Y N -2.101 118.250 120.300 0.085 0.000 2.516 295 Y HA -0.042 4.526 4.550 0.029 0.000 0.291 295 Y C 1.583 177.502 175.900 0.033 0.000 1.131 295 Y CA 0.589 58.698 58.100 0.015 0.000 1.281 295 Y CB -0.674 37.873 38.460 0.146 0.000 1.013 295 Y HN 0.123 nan 8.280 nan 0.000 0.554 296 F N -0.334 119.638 119.950 0.037 0.000 2.437 296 F HA 0.143 4.687 4.527 0.028 0.000 0.288 296 F C 2.151 177.929 175.800 -0.036 0.000 1.085 296 F CA 0.481 58.472 58.000 -0.015 0.000 1.430 296 F CB -0.253 38.732 39.000 -0.026 0.000 1.120 296 F HN -0.199 nan 8.300 nan 0.000 0.556 297 K N 1.186 121.679 120.400 0.156 0.000 2.504 297 K HA -0.055 4.282 4.320 0.028 0.000 0.195 297 K C 1.697 178.287 176.600 -0.018 0.000 1.036 297 K CA 1.018 57.351 56.287 0.076 0.000 0.984 297 K CB -0.168 32.393 32.500 0.101 0.000 0.788 297 K HN 0.457 nan 8.250 nan 0.000 0.488 298 I N -4.316 116.187 120.570 -0.112 0.000 3.265 298 I HA 0.159 4.346 4.170 0.028 0.000 0.282 298 I C 1.956 178.017 176.117 -0.093 0.000 1.207 298 I CA 0.349 61.554 61.300 -0.157 0.000 1.449 298 I CB -0.015 37.788 38.000 -0.328 0.000 1.121 298 I HN -0.112 nan 8.210 nan 0.000 0.442 299 A N 2.393 125.156 122.820 -0.094 0.000 1.854 299 A HA -0.041 4.296 4.320 0.028 0.000 0.214 299 A C 2.180 179.730 177.584 -0.056 0.000 1.192 299 A CA 1.719 53.698 52.037 -0.098 0.000 0.611 299 A CB -1.127 17.769 19.000 -0.173 0.000 0.832 299 A HN 0.440 nan 8.150 nan 0.000 0.442 300 V N -3.347 116.550 119.914 -0.028 0.000 3.559 300 V HA 0.379 4.516 4.120 0.028 0.000 0.272 300 V C 1.206 177.309 176.094 0.014 0.000 1.235 300 V CA 1.381 63.685 62.300 0.006 0.000 1.192 300 V CB -1.148 30.703 31.823 0.047 0.000 0.930 300 V HN 0.609 nan 8.190 nan 0.000 0.492 301 A N -0.454 122.365 122.820 -0.002 0.000 1.878 301 A HA 0.380 4.717 4.320 0.028 0.000 0.201 301 A C 1.625 179.210 177.584 0.002 0.000 1.684 301 A CA 0.616 52.657 52.037 0.007 0.000 1.113 301 A CB -0.143 18.861 19.000 0.007 0.000 1.131 301 A HN 0.327 nan 8.150 nan 0.000 0.472 302 L N 0.461 121.676 121.223 -0.013 0.000 2.109 302 L HA 0.003 4.360 4.340 0.028 0.000 0.207 302 L C 2.457 179.316 176.870 -0.018 0.000 1.086 302 L CA 2.265 57.099 54.840 -0.010 0.000 0.760 302 L CB -1.079 40.971 42.059 -0.015 0.000 0.910 302 L HN 0.409 nan 8.230 nan 0.000 0.437 303 A N 0.218 123.021 122.820 -0.027 0.000 1.828 303 A HA -0.189 4.148 4.320 0.028 0.000 0.215 303 A C 2.150 179.726 177.584 -0.013 0.000 1.203 303 A CA 2.456 54.474 52.037 -0.030 0.000 0.614 303 A CB -1.291 17.688 19.000 -0.036 0.000 0.844 303 A HN 0.412 nan 8.150 nan 0.000 0.445 304 V N -2.576 117.339 119.914 0.001 0.000 3.140 304 V HA 0.034 4.171 4.120 0.028 0.000 0.269 304 V C 2.021 178.125 176.094 0.018 0.000 1.149 304 V CA 1.893 64.202 62.300 0.015 0.000 1.162 304 V CB -1.306 30.533 31.823 0.027 0.000 0.756 304 V HN 0.591 nan 8.190 nan 0.000 0.523 305 A N -0.300 122.526 122.820 0.011 0.000 2.195 305 A HA 0.709 5.046 4.320 0.028 0.000 0.210 305 A C 2.063 179.653 177.584 0.010 0.000 1.165 305 A CA 0.839 52.884 52.037 0.013 0.000 0.806 305 A CB -0.162 18.846 19.000 0.013 0.000 0.847 305 A HN 1.089 nan 8.150 nan 0.000 0.482 306 A N -0.613 122.211 122.820 0.006 0.000 2.538 306 A HA 0.573 4.910 4.320 0.028 0.000 0.269 306 A C 0.185 177.792 177.584 0.039 0.000 1.231 306 A CA -0.107 51.938 52.037 0.014 0.000 0.948 306 A CB 0.024 19.009 19.000 -0.025 0.000 1.110 306 A HN 0.278 nan 8.150 nan 0.000 0.529 307 I N 1.149 121.743 120.570 0.039 0.000 2.464 307 I HA 0.244 4.430 4.170 0.028 0.000 0.277 307 I C -2.691 173.466 176.117 0.067 0.000 1.040 307 I CA -2.154 59.183 61.300 0.062 0.000 1.153 307 I CB 2.087 40.105 38.000 0.030 0.000 1.274 307 I HN -0.052 nan 8.210 nan 0.000 0.469 308 P HA -0.036 nan 4.420 nan 0.000 0.245 308 P C 0.798 178.124 177.300 0.042 0.000 1.670 308 P CA -0.038 63.090 63.100 0.047 0.000 1.146 308 P CB -0.164 31.557 31.700 0.036 0.000 1.954 309 E N 0.432 120.653 120.200 0.035 0.000 2.501 309 E HA -0.125 4.242 4.350 0.028 0.000 0.203 309 E C 1.379 177.987 176.600 0.015 0.000 1.072 309 E CA 1.021 57.439 56.400 0.031 0.000 0.885 309 E CB -0.814 28.905 29.700 0.031 0.000 0.813 309 E HN 0.376 nan 8.360 nan 0.000 0.556 310 G N 0.492 109.295 108.800 0.005 0.000 2.921 310 G HA2 0.065 4.042 3.960 0.028 0.000 0.213 310 G HA3 0.065 4.042 3.960 0.028 0.000 0.213 310 G C 1.290 176.188 174.900 -0.003 0.000 1.143 310 G CA -0.097 44.995 45.100 -0.014 0.000 0.764 310 G HN 0.181 nan 8.290 nan 0.000 0.542 311 L N 2.101 123.339 121.223 0.026 0.000 1.988 311 L HA 0.100 4.456 4.340 0.028 0.000 0.207 311 L C -0.347 176.557 176.870 0.056 0.000 1.071 311 L CA 1.663 56.541 54.840 0.062 0.000 0.744 311 L CB -0.719 41.375 42.059 0.058 0.000 0.893 311 L HN 0.035 nan 8.230 nan 0.000 0.433 312 P HA -0.072 nan 4.420 nan 0.000 0.250 312 P C 0.321 177.626 177.300 0.007 0.000 1.239 312 P CA 1.378 64.496 63.100 0.030 0.000 0.756 312 P CB -0.031 31.684 31.700 0.025 0.000 1.013 313 A N -1.026 121.789 122.820 -0.008 0.000 2.009 313 A HA 0.160 4.497 4.320 0.028 0.000 0.197 313 A C 2.037 179.576 177.584 -0.075 0.000 1.471 313 A CA 0.290 52.303 52.037 -0.039 0.000 0.973 313 A CB -0.407 18.566 19.000 -0.046 0.000 1.020 313 A HN 0.008 nan 8.150 nan 0.000 0.476 314 V N 1.886 121.739 119.914 -0.102 0.000 2.346 314 V HA -0.189 3.948 4.120 0.028 0.000 0.244 314 V C 2.562 178.528 176.094 -0.213 0.000 1.037 314 V CA 1.810 63.952 62.300 -0.264 0.000 1.029 314 V CB -0.992 30.562 31.823 -0.448 0.000 0.663 314 V HN 0.721 nan 8.190 nan 0.000 0.454 315 I N -0.660 119.946 120.570 0.060 0.000 2.264 315 I HA -0.220 3.967 4.170 0.028 0.000 0.248 315 I C 2.216 178.382 176.117 0.081 0.000 1.111 315 I CA 2.237 63.675 61.300 0.230 0.000 1.382 315 I CB -1.105 37.028 38.000 0.222 0.000 1.060 315 I HN 0.242 nan 8.210 nan 0.000 0.418 316 T N 0.784 115.352 114.554 0.022 0.000 2.904 316 T HA -0.081 4.286 4.350 0.028 0.000 0.267 316 T C 1.836 176.520 174.700 -0.026 0.000 1.059 316 T CA 1.939 64.043 62.100 0.007 0.000 1.137 316 T CB -0.355 68.514 68.868 0.001 0.000 0.879 316 T HN 0.490 nan 8.240 nan 0.000 0.467 317 T N 1.181 115.691 114.554 -0.073 0.000 2.668 317 T HA -0.134 4.233 4.350 0.028 0.000 0.262 317 T C 2.257 176.881 174.700 -0.128 0.000 1.045 317 T CA 1.240 63.279 62.100 -0.102 0.000 1.152 317 T CB -0.904 67.878 68.868 -0.144 0.000 0.864 317 T HN 0.493 nan 8.240 nan 0.000 0.419 318 C N 1.171 120.361 119.300 -0.183 0.000 2.403 318 C HA -0.084 4.393 4.460 0.028 0.000 0.277 318 C C 2.547 177.482 174.990 -0.092 0.000 1.248 318 C CA 0.635 59.535 59.018 -0.195 0.000 1.762 318 C CB -1.516 26.171 27.740 -0.089 0.000 2.014 318 C HN 0.386 nan 8.230 nan 0.000 0.486 319 L N 1.363 122.572 121.223 -0.024 0.000 2.044 319 L HA 0.088 4.445 4.340 0.028 0.000 0.205 319 L C 2.870 179.735 176.870 -0.007 0.000 1.075 319 L CA 2.317 57.158 54.840 0.002 0.000 0.747 319 L CB -1.218 40.859 42.059 0.029 0.000 0.903 319 L HN 0.376 nan 8.230 nan 0.000 0.435 320 A N -1.068 121.747 122.820 -0.008 0.000 2.019 320 A HA -0.141 4.196 4.320 0.028 0.000 0.219 320 A C 2.225 179.806 177.584 -0.006 0.000 1.164 320 A CA 1.409 53.449 52.037 0.005 0.000 0.644 320 A CB -0.703 18.303 19.000 0.010 0.000 0.805 320 A HN 0.421 nan 8.150 nan 0.000 0.449 321 L N -1.202 120.001 121.223 -0.033 0.000 2.313 321 L HA -0.010 4.347 4.340 0.028 0.000 0.214 321 L C 2.623 179.477 176.870 -0.026 0.000 1.119 321 L CA 0.720 55.542 54.840 -0.031 0.000 0.809 321 L CB -0.441 41.571 42.059 -0.079 0.000 0.933 321 L HN 0.483 nan 8.230 nan 0.000 0.449 322 G N -0.858 107.921 108.800 -0.035 0.000 2.426 322 G HA2 -0.152 3.825 3.960 0.028 0.000 0.214 322 G HA3 -0.152 3.825 3.960 0.028 0.000 0.214 322 G C 1.555 176.451 174.900 -0.007 0.000 1.156 322 G CA 0.804 45.890 45.100 -0.022 0.000 0.802 322 G HN 0.178 nan 8.290 nan 0.000 0.534 323 T N 1.403 115.955 114.554 -0.002 0.000 2.635 323 T HA -0.206 4.161 4.350 0.028 0.000 0.267 323 T C 2.474 177.177 174.700 0.005 0.000 1.040 323 T CA 1.876 63.979 62.100 0.004 0.000 1.156 323 T CB -0.190 68.685 68.868 0.013 0.000 0.863 323 T HN 0.615 nan 8.240 nan 0.000 0.430 324 R N 1.191 121.697 120.500 0.008 0.000 2.075 324 R HA 0.056 4.412 4.340 0.028 0.000 0.232 324 R C 2.473 178.778 176.300 0.007 0.000 1.126 324 R CA 1.370 57.476 56.100 0.010 0.000 0.963 324 R CB -0.436 29.873 30.300 0.015 0.000 0.858 324 R HN 0.202 nan 8.270 nan 0.000 0.435 325 R N 0.442 120.945 120.500 0.006 0.000 2.159 325 R HA -0.054 4.303 4.340 0.028 0.000 0.237 325 R C 2.005 178.306 176.300 0.001 0.000 1.131 325 R CA 1.956 58.059 56.100 0.006 0.000 0.982 325 R CB -0.084 30.220 30.300 0.008 0.000 0.868 325 R HN 0.406 nan 8.270 nan 0.000 0.453 326 M N -1.241 118.358 119.600 -0.002 0.000 2.394 326 M HA 0.072 4.569 4.480 0.028 0.000 0.266 326 M C 2.290 178.587 176.300 -0.006 0.000 1.098 326 M CA 0.882 56.178 55.300 -0.007 0.000 1.149 326 M CB 0.125 32.719 32.600 -0.011 0.000 1.369 326 M HN 0.162 nan 8.290 nan 0.000 0.450 327 A N 0.730 123.549 122.820 -0.002 0.000 2.019 327 A HA -0.125 4.212 4.320 0.028 0.000 0.219 327 A C 2.101 179.686 177.584 0.001 0.000 1.164 327 A CA 1.337 53.373 52.037 -0.000 0.000 0.644 327 A CB -0.367 18.636 19.000 0.004 0.000 0.805 327 A HN 0.262 nan 8.150 nan 0.000 0.449 328 K N 0.161 120.562 120.400 0.002 0.000 2.217 328 K HA -0.031 4.305 4.320 0.028 0.000 0.202 328 K C 0.936 177.536 176.600 0.001 0.000 1.051 328 K CA 1.011 57.300 56.287 0.003 0.000 0.952 328 K CB -0.120 32.382 32.500 0.004 0.000 0.736 328 K HN 0.509 nan 8.250 nan 0.000 0.453 329 K N 0.525 120.923 120.400 -0.003 0.000 2.446 329 K HA 0.111 4.447 4.320 0.028 0.000 0.203 329 K C -0.373 176.222 176.600 -0.008 0.000 1.027 329 K CA -0.048 56.236 56.287 -0.006 0.000 1.166 329 K CB 0.034 32.528 32.500 -0.010 0.000 0.869 329 K HN 0.188 nan 8.250 nan 0.000 0.504 330 N N -0.645 118.052 118.700 -0.005 0.000 2.965 330 N HA -0.186 4.570 4.740 0.028 0.000 0.232 330 N C -0.578 174.926 175.510 -0.010 0.000 0.913 330 N CA 0.512 53.559 53.050 -0.005 0.000 0.981 330 N CB -0.670 37.816 38.487 -0.002 0.000 1.077 330 N HN 0.275 nan 8.380 nan 0.000 0.589 331 A N 0.957 123.768 122.820 -0.014 0.000 2.280 331 A HA 0.615 4.951 4.320 0.028 0.000 0.320 331 A C 0.125 177.700 177.584 -0.014 0.000 1.366 331 A CA -0.333 51.693 52.037 -0.019 0.000 0.938 331 A CB 0.282 19.265 19.000 -0.029 0.000 1.157 331 A HN 0.281 nan 8.150 nan 0.000 0.536 332 I N 3.520 124.083 120.570 -0.011 0.000 2.301 332 I HA 0.177 4.364 4.170 0.028 0.000 0.292 332 I C -0.469 175.641 176.117 -0.011 0.000 1.046 332 I CA -0.402 60.893 61.300 -0.008 0.000 1.282 332 I CB 1.393 39.389 38.000 -0.007 0.000 1.409 332 I HN 0.278 nan 8.210 nan 0.000 0.484 333 V N 7.991 127.899 119.914 -0.009 0.000 2.348 333 V HA 0.268 4.405 4.120 0.028 0.000 0.270 333 V C 1.164 177.252 176.094 -0.009 0.000 1.037 333 V CA -0.432 61.861 62.300 -0.011 0.000 0.872 333 V CB 0.862 32.679 31.823 -0.010 0.000 1.002 333 V HN 0.752 nan 8.190 nan 0.000 0.464 334 R N 2.104 122.595 120.500 -0.014 0.000 2.056 334 R HA -0.005 4.352 4.340 0.028 0.000 0.227 334 R C 1.292 177.582 176.300 -0.017 0.000 1.149 334 R CA 1.008 57.097 56.100 -0.018 0.000 0.937 334 R CB -0.144 30.142 30.300 -0.024 0.000 0.835 334 R HN 0.584 nan 8.270 nan 0.000 0.430 335 S N 1.252 116.942 115.700 -0.017 0.000 2.505 335 S HA 0.077 4.564 4.470 0.028 0.000 0.276 335 S C 1.349 175.946 174.600 -0.005 0.000 1.274 335 S CA -0.640 57.552 58.200 -0.014 0.000 1.053 335 S CB 0.569 63.758 63.200 -0.018 0.000 0.919 335 S HN 0.139 nan 8.310 nan 0.000 0.490 336 L N 6.683 127.909 121.223 0.006 0.000 1.961 336 L HA 0.048 4.405 4.340 0.028 0.000 0.210 336 L C -0.549 176.327 176.870 0.010 0.000 1.072 336 L CA 2.103 56.952 54.840 0.015 0.000 0.749 336 L CB -2.637 39.441 42.059 0.032 0.000 0.889 336 L HN 0.536 nan 8.230 nan 0.000 0.432 337 P HA -0.173 nan 4.420 nan 0.000 0.218 337 P C 1.883 179.176 177.300 -0.011 0.000 1.152 337 P CA 1.719 64.821 63.100 0.004 0.000 0.857 337 P CB 0.007 31.707 31.700 0.000 0.000 0.787 338 S N -0.492 115.198 115.700 -0.016 0.000 2.407 338 S HA -0.183 4.304 4.470 0.028 0.000 0.235 338 S C 1.880 176.462 174.600 -0.031 0.000 1.036 338 S CA 1.619 59.803 58.200 -0.026 0.000 1.013 338 S CB -1.509 61.677 63.200 -0.023 0.000 0.820 338 S HN 0.207 nan 8.310 nan 0.000 0.476 339 V N 0.409 120.312 119.914 -0.017 0.000 2.828 339 V HA -0.143 3.993 4.120 0.028 0.000 0.260 339 V C 2.082 178.161 176.094 -0.025 0.000 1.101 339 V CA 1.994 64.285 62.300 -0.015 0.000 1.123 339 V CB -0.517 31.307 31.823 0.001 0.000 0.704 339 V HN 0.405 nan 8.190 nan 0.000 0.493 340 E N 0.791 120.966 120.200 -0.042 0.000 2.042 340 E HA -0.162 4.205 4.350 0.028 0.000 0.189 340 E C 2.303 178.797 176.600 -0.178 0.000 0.974 340 E CA 1.622 57.959 56.400 -0.106 0.000 0.806 340 E CB -0.169 29.474 29.700 -0.095 0.000 0.769 340 E HN 0.632 nan 8.360 nan 0.000 0.451 341 T N 0.898 115.376 114.554 -0.127 0.000 2.821 341 T HA -0.126 4.241 4.350 0.028 0.000 0.267 341 T C 1.947 176.593 174.700 -0.091 0.000 1.046 341 T CA 0.913 62.943 62.100 -0.117 0.000 1.139 341 T CB -0.252 68.569 68.868 -0.077 0.000 0.871 341 T HN 0.095 nan 8.240 nan 0.000 0.454 342 L N 1.025 122.205 121.223 -0.071 0.000 2.450 342 L HA 0.139 4.496 4.340 0.028 0.000 0.225 342 L C 2.216 179.050 176.870 -0.060 0.000 1.145 342 L CA 1.682 56.488 54.840 -0.057 0.000 0.801 342 L CB -0.832 41.199 42.059 -0.047 0.000 0.924 342 L HN 0.395 nan 8.230 nan 0.000 0.447 343 G N -2.718 106.034 108.800 -0.080 0.000 2.662 343 G HA2 -0.108 3.869 3.960 0.028 0.000 0.212 343 G HA3 -0.108 3.869 3.960 0.028 0.000 0.212 343 G C 1.177 176.031 174.900 -0.077 0.000 1.141 343 G CA 0.566 45.622 45.100 -0.073 0.000 0.797 343 G HN 0.483 nan 8.290 nan 0.000 0.531 344 C N 1.717 120.956 119.300 -0.101 0.000 2.673 344 C HA 0.247 4.724 4.460 0.028 0.000 0.274 344 C C 1.240 176.204 174.990 -0.043 0.000 1.276 344 C CA -0.828 58.141 59.018 -0.081 0.000 1.701 344 C CB -1.374 26.300 27.740 -0.110 0.000 1.836 344 C HN 0.208 nan 8.230 nan 0.000 0.596 345 T N 2.325 116.856 114.554 -0.038 0.000 2.792 345 T HA 0.054 4.420 4.350 0.028 0.000 0.286 345 T C 1.265 175.964 174.700 -0.001 0.000 0.970 345 T CA 0.811 62.899 62.100 -0.019 0.000 1.187 345 T CB 0.433 69.285 68.868 -0.026 0.000 0.915 345 T HN 0.736 nan 8.240 nan 0.000 0.529 346 S N 2.369 118.078 115.700 0.015 0.000 2.506 346 S HA 0.252 4.739 4.470 0.028 0.000 0.219 346 S C 0.396 175.025 174.600 0.048 0.000 1.031 346 S CA -0.361 57.856 58.200 0.029 0.000 0.911 346 S CB 0.423 63.643 63.200 0.034 0.000 0.812 346 S HN 0.404 nan 8.310 nan 0.000 0.497 347 V N 2.004 121.951 119.914 0.054 0.000 2.686 347 V HA 0.538 4.675 4.120 0.028 0.000 0.306 347 V C -0.957 175.181 176.094 0.074 0.000 1.065 347 V CA -0.775 61.570 62.300 0.076 0.000 0.894 347 V CB 1.728 33.609 31.823 0.096 0.000 1.004 347 V HN 0.363 nan 8.190 nan 0.000 0.424 348 I N 3.392 124.022 120.570 0.099 0.000 2.355 348 I HA 0.372 4.559 4.170 0.028 0.000 0.288 348 I C -0.533 175.675 176.117 0.150 0.000 0.999 348 I CA -0.171 61.199 61.300 0.117 0.000 1.163 348 I CB 1.449 39.542 38.000 0.155 0.000 1.316 348 I HN 0.570 nan 8.210 nan 0.000 0.454 349 C N 4.833 124.203 119.300 0.118 0.000 2.223 349 C HA 0.461 4.937 4.460 0.028 0.000 0.324 349 C C 0.653 175.712 174.990 0.115 0.000 1.196 349 C CA -0.281 58.801 59.018 0.107 0.000 1.628 349 C CB -0.112 27.668 27.740 0.066 0.000 2.229 349 C HN 0.746 nan 8.230 nan 0.000 0.486 350 S N 2.569 118.346 115.700 0.129 0.000 2.513 350 S HA 0.379 4.866 4.470 0.028 0.000 0.299 350 S C -0.484 174.147 174.600 0.051 0.000 1.087 350 S CA -0.538 57.739 58.200 0.129 0.000 1.012 350 S CB 0.658 64.016 63.200 0.262 0.000 1.044 350 S HN 0.744 nan 8.310 nan 0.000 0.485 351 D N 2.368 122.796 120.400 0.048 0.000 2.357 351 D HA 0.114 4.771 4.640 0.028 0.000 0.242 351 D C 0.773 177.074 176.300 0.001 0.000 1.153 351 D CA -0.130 53.884 54.000 0.023 0.000 0.918 351 D CB 0.909 41.725 40.800 0.025 0.000 1.181 351 D HN 0.535 nan 8.370 nan 0.000 0.435 352 K N 0.043 120.436 120.400 -0.012 0.000 2.056 352 K HA -0.013 4.324 4.320 0.028 0.000 0.205 352 K C 0.237 176.827 176.600 -0.016 0.000 1.035 352 K CA 0.436 56.702 56.287 -0.035 0.000 0.955 352 K CB -0.066 32.410 32.500 -0.041 0.000 0.769 352 K HN 0.342 nan 8.250 nan 0.000 0.447 353 T N 1.022 115.575 114.554 -0.002 0.000 2.866 353 T HA 0.129 4.496 4.350 0.028 0.000 0.293 353 T C 0.633 175.343 174.700 0.017 0.000 1.005 353 T CA 0.798 62.902 62.100 0.007 0.000 1.162 353 T CB 0.425 69.300 68.868 0.012 0.000 0.968 353 T HN 0.605 nan 8.240 nan 0.000 0.530 354 G N 2.880 111.692 108.800 0.020 0.000 2.198 354 G HA2 -0.283 3.694 3.960 0.028 0.000 0.260 354 G HA3 -0.283 3.694 3.960 0.028 0.000 0.260 354 G C 0.551 175.475 174.900 0.040 0.000 1.025 354 G CA 0.581 45.700 45.100 0.031 0.000 0.769 354 G HN 0.847 nan 8.290 nan 0.000 0.507 355 T N -1.934 112.645 114.554 0.043 0.000 3.602 355 T HA 0.170 4.537 4.350 0.028 0.000 0.287 355 T C 1.529 176.279 174.700 0.084 0.000 0.967 355 T CA 0.577 62.726 62.100 0.081 0.000 1.111 355 T CB -0.188 68.739 68.868 0.098 0.000 1.156 355 T HN 0.120 nan 8.240 nan 0.000 0.470 356 L N 2.316 123.541 121.223 0.002 0.000 2.513 356 L HA 0.409 4.766 4.340 0.028 0.000 0.222 356 L C 1.168 178.006 176.870 -0.054 0.000 1.096 356 L CA 1.028 55.812 54.840 -0.092 0.000 0.857 356 L CB -0.155 41.784 42.059 -0.200 0.000 1.026 356 L HN 0.555 nan 8.230 nan 0.000 0.469 357 T N -6.157 108.384 114.554 -0.022 0.000 2.807 357 T HA 0.356 4.723 4.350 0.028 0.000 0.277 357 T C 1.026 175.731 174.700 0.007 0.000 1.006 357 T CA 0.239 62.330 62.100 -0.015 0.000 1.006 357 T CB 1.316 70.172 68.868 -0.020 0.000 1.274 357 T HN 0.052 nan 8.240 nan 0.000 0.569 358 T N -2.180 112.378 114.554 0.005 0.000 3.037 358 T HA 0.224 4.591 4.350 0.028 0.000 0.252 358 T C 0.874 175.593 174.700 0.030 0.000 1.073 358 T CA 0.605 62.715 62.100 0.017 0.000 1.091 358 T CB -0.819 68.053 68.868 0.007 0.000 0.935 358 T HN 0.954 nan 8.240 nan 0.000 0.488 359 N N 1.136 119.851 118.700 0.025 0.000 2.780 359 N HA -0.139 4.618 4.740 0.028 0.000 0.247 359 N C -1.070 174.483 175.510 0.072 0.000 1.076 359 N CA 0.093 53.170 53.050 0.045 0.000 0.688 359 N CB -0.467 38.052 38.487 0.054 0.000 0.957 359 N HN 0.411 nan 8.380 nan 0.000 0.551 360 Q N 1.116 120.929 119.800 0.021 0.000 2.773 360 Q HA 0.223 4.580 4.340 0.028 0.000 0.373 360 Q C -0.202 175.718 176.000 -0.134 0.000 0.940 360 Q CA -0.307 55.470 55.803 -0.044 0.000 1.015 360 Q CB 0.619 29.310 28.738 -0.079 0.000 1.349 360 Q HN 0.393 nan 8.270 nan 0.000 0.413 361 M N 1.722 121.291 119.600 -0.051 0.000 2.245 361 M HA 0.010 4.506 4.480 0.028 0.000 0.335 361 M C 0.111 176.301 176.300 -0.183 0.000 1.155 361 M CA 0.844 56.105 55.300 -0.065 0.000 1.055 361 M CB 0.429 33.047 32.600 0.029 0.000 1.670 361 M HN 0.371 nan 8.290 nan 0.000 0.447 362 S N 1.409 117.024 115.700 -0.142 0.000 2.563 362 S HA 0.564 5.051 4.470 0.028 0.000 0.279 362 S C -1.060 173.474 174.600 -0.111 0.000 1.155 362 S CA -1.294 56.809 58.200 -0.162 0.000 0.928 362 S CB 0.637 63.712 63.200 -0.208 0.000 1.107 362 S HN 0.380 nan 8.310 nan 0.000 0.462 363 V N 3.145 123.002 119.914 -0.095 0.000 2.439 363 V HA 0.103 4.240 4.120 0.028 0.000 0.271 363 V C 1.079 177.105 176.094 -0.113 0.000 1.040 363 V CA -0.219 62.028 62.300 -0.089 0.000 1.002 363 V CB -0.254 31.526 31.823 -0.071 0.000 1.000 363 V HN 1.193 nan 8.190 nan 0.000 0.477 364 C N 4.058 123.271 119.300 -0.144 0.000 2.568 364 C HA 0.229 4.706 4.460 0.028 0.000 0.284 364 C C 1.090 175.947 174.990 -0.222 0.000 1.338 364 C CA -0.100 58.812 59.018 -0.177 0.000 1.724 364 C CB -0.438 27.179 27.740 -0.206 0.000 2.131 364 C HN 0.783 nan 8.230 nan 0.000 0.513 365 K N 0.589 120.782 120.400 -0.346 0.000 2.400 365 K HA 0.799 5.136 4.320 0.028 0.000 0.246 365 K C -0.962 175.503 176.600 -0.226 0.000 0.995 365 K CA -0.192 55.812 56.287 -0.472 0.000 0.840 365 K CB 1.842 33.595 32.500 -1.244 0.000 1.293 365 K HN 0.389 nan 8.250 nan 0.000 0.445 366 M N 0.037 119.710 119.600 0.122 0.000 2.569 366 M HA 0.554 5.051 4.480 0.028 0.000 0.287 366 M C -1.620 175.054 176.300 0.625 0.000 1.130 366 M CA -1.003 54.512 55.300 0.360 0.000 0.885 366 M CB 1.302 33.971 32.600 0.115 0.000 1.759 366 M HN 0.640 nan 8.290 nan 0.000 0.515 367 F N 1.328 121.550 119.950 0.455 0.000 2.685 367 F HA 0.981 5.525 4.527 0.028 0.000 0.315 367 F C -1.638 174.303 175.800 0.235 0.000 1.126 367 F CA -1.157 57.060 58.000 0.361 0.000 0.950 367 F CB 1.432 40.589 39.000 0.263 0.000 1.360 367 F HN 0.872 nan 8.300 nan 0.000 0.469 368 I N -0.358 120.588 120.570 0.627 0.000 3.279 368 I HA 0.573 4.760 4.170 0.028 0.000 0.315 368 I C -1.226 175.150 176.117 0.431 0.000 1.187 368 I CA -1.443 60.109 61.300 0.419 0.000 0.953 368 I CB 2.113 40.243 38.000 0.217 0.000 1.279 368 I HN 0.474 nan 8.210 nan 0.000 0.465 369 I N 2.521 123.304 120.570 0.355 0.000 2.496 369 I HA 0.102 4.289 4.170 0.028 0.000 0.285 369 I C 0.545 176.767 176.117 0.175 0.000 1.080 369 I CA 0.538 61.995 61.300 0.261 0.000 1.404 369 I CB 0.494 38.655 38.000 0.268 0.000 1.403 369 I HN 0.805 nan 8.210 nan 0.000 0.539 370 D N 5.731 126.202 120.400 0.118 0.000 2.429 370 D HA 0.045 4.702 4.640 0.028 0.000 0.242 370 D C 0.315 176.672 176.300 0.096 0.000 1.076 370 D CA 1.124 55.186 54.000 0.103 0.000 0.955 370 D CB 0.598 41.434 40.800 0.060 0.000 1.076 370 D HN 0.613 nan 8.370 nan 0.000 0.448 371 K N -0.140 120.303 120.400 0.072 0.000 2.427 371 K HA 0.601 4.937 4.320 0.028 0.000 0.252 371 K C -1.503 175.137 176.600 0.066 0.000 0.931 371 K CA -0.927 55.401 56.287 0.068 0.000 0.793 371 K CB 2.752 35.285 32.500 0.057 0.000 1.211 371 K HN -0.097 nan 8.250 nan 0.000 0.426 372 V N 2.221 122.176 119.914 0.069 0.000 2.448 372 V HA 0.450 4.586 4.120 0.028 0.000 0.295 372 V C -1.093 175.035 176.094 0.057 0.000 1.025 372 V CA -0.085 62.253 62.300 0.063 0.000 0.859 372 V CB 1.343 33.207 31.823 0.067 0.000 0.988 372 V HN 1.080 nan 8.190 nan 0.000 0.431 373 D N 2.733 123.167 120.400 0.057 0.000 2.798 373 D HA 0.435 5.091 4.640 0.028 0.000 0.265 373 D C 0.622 176.953 176.300 0.052 0.000 1.223 373 D CA 0.240 54.272 54.000 0.052 0.000 0.743 373 D CB 1.255 42.092 40.800 0.061 0.000 1.276 373 D HN 0.897 nan 8.370 nan 0.000 0.421 374 G N 2.076 110.893 108.800 0.030 0.000 2.473 374 G HA2 -0.290 3.687 3.960 0.028 0.000 0.307 374 G HA3 -0.290 3.687 3.960 0.028 0.000 0.307 374 G C 0.409 175.244 174.900 -0.108 0.000 0.937 374 G CA 1.220 46.323 45.100 0.004 0.000 0.947 374 G HN 0.853 nan 8.290 nan 0.000 0.513 375 D N -2.993 117.327 120.400 -0.132 0.000 3.079 375 D HA -0.193 4.464 4.640 0.028 0.000 0.214 375 D C 0.052 176.126 176.300 -0.376 0.000 1.145 375 D CA 1.589 55.428 54.000 -0.269 0.000 0.958 375 D CB -1.384 39.184 40.800 -0.387 0.000 1.117 375 D HN 0.509 nan 8.370 nan 0.000 0.416 376 F N 1.224 121.164 119.950 -0.018 0.000 2.552 376 F HA 0.313 4.857 4.527 0.028 0.000 0.369 376 F C 0.736 176.522 175.800 -0.024 0.000 1.112 376 F CA -1.358 56.627 58.000 -0.025 0.000 1.129 376 F CB 1.114 40.101 39.000 -0.022 0.000 1.360 376 F HN 0.076 nan 8.300 nan 0.000 0.473 377 C N 1.868 121.255 119.300 0.145 0.000 2.376 377 C HA 0.929 5.406 4.460 0.028 0.000 0.335 377 C C 0.441 175.451 174.990 0.034 0.000 1.229 377 C CA -0.342 58.720 59.018 0.073 0.000 1.867 377 C CB 0.567 28.332 27.740 0.042 0.000 2.319 377 C HN 0.831 nan 8.230 nan 0.000 0.515 378 S N 3.885 119.595 115.700 0.016 0.000 2.768 378 S HA 0.899 5.386 4.470 0.028 0.000 0.300 378 S C -0.682 173.893 174.600 -0.042 0.000 1.122 378 S CA -0.728 57.456 58.200 -0.028 0.000 0.995 378 S CB 0.792 63.977 63.200 -0.025 0.000 1.195 378 S HN 0.949 nan 8.310 nan 0.000 0.547 379 L N -0.315 120.855 121.223 -0.089 0.000 2.502 379 L HA 0.580 4.937 4.340 0.028 0.000 0.253 379 L C -1.173 175.635 176.870 -0.103 0.000 1.070 379 L CA -1.113 53.672 54.840 -0.091 0.000 0.871 379 L CB 1.771 43.660 42.059 -0.283 0.000 1.487 379 L HN 0.549 nan 8.230 nan 0.000 0.408 380 N N 1.163 119.820 118.700 -0.073 0.000 2.479 380 N HA 0.366 5.123 4.740 0.028 0.000 0.261 380 N C -1.408 173.859 175.510 -0.406 0.000 0.979 380 N CA -0.385 52.496 53.050 -0.281 0.000 0.930 380 N CB 1.929 40.264 38.487 -0.253 0.000 1.172 380 N HN 0.565 nan 8.380 nan 0.000 0.499 381 E N 1.764 121.648 120.200 -0.527 0.000 2.183 381 E HA 0.487 4.854 4.350 0.028 0.000 0.271 381 E C -0.760 175.464 176.600 -0.627 0.000 0.919 381 E CA -0.508 55.730 56.400 -0.270 0.000 0.781 381 E CB 1.491 31.226 29.700 0.058 0.000 1.140 381 E HN 0.317 nan 8.360 nan 0.000 0.402 382 F N 0.197 120.190 119.950 0.072 0.000 2.631 382 F HA 0.551 5.095 4.527 0.028 0.000 0.328 382 F C 0.332 176.102 175.800 -0.051 0.000 1.067 382 F CA -0.999 56.989 58.000 -0.020 0.000 0.969 382 F CB 1.885 40.846 39.000 -0.065 0.000 1.332 382 F HN 0.244 nan 8.300 nan 0.000 0.490 383 S N 1.373 117.151 115.700 0.130 0.000 2.568 383 S HA 0.869 5.356 4.470 0.028 0.000 0.293 383 S C -1.527 173.071 174.600 -0.004 0.000 1.089 383 S CA -0.642 57.555 58.200 -0.005 0.000 0.945 383 S CB 0.914 64.089 63.200 -0.042 0.000 1.077 383 S HN 0.460 nan 8.310 nan 0.000 0.485 384 I N 3.162 123.699 120.570 -0.054 0.000 2.499 384 I HA 0.360 4.547 4.170 0.028 0.000 0.288 384 I C 0.004 176.078 176.117 -0.071 0.000 1.048 384 I CA -0.656 60.610 61.300 -0.057 0.000 1.062 384 I CB 0.976 38.931 38.000 -0.074 0.000 1.238 384 I HN 0.701 nan 8.210 nan 0.000 0.426 385 T N 0.641 115.159 114.554 -0.060 0.000 2.875 385 T HA 0.784 5.150 4.350 0.028 0.000 0.284 385 T C 0.394 175.051 174.700 -0.073 0.000 0.995 385 T CA -0.611 61.452 62.100 -0.063 0.000 1.060 385 T CB 1.671 70.511 68.868 -0.048 0.000 0.967 385 T HN 1.411 nan 8.240 nan 0.000 0.476 386 G N 1.195 109.948 108.800 -0.079 0.000 3.071 386 G HA2 0.177 4.153 3.960 0.028 0.000 0.620 386 G HA3 0.177 4.153 3.960 0.028 0.000 0.620 386 G C 0.152 174.983 174.900 -0.114 0.000 1.204 386 G CA -0.250 44.795 45.100 -0.090 0.000 1.200 386 G HN 1.364 nan 8.290 nan 0.000 0.530 387 S N 0.242 115.876 115.700 -0.111 0.000 2.577 387 S HA 0.453 4.940 4.470 0.028 0.000 0.219 387 S C 1.056 175.543 174.600 -0.188 0.000 0.962 387 S CA 0.946 59.062 58.200 -0.141 0.000 0.921 387 S CB 0.826 63.962 63.200 -0.108 0.000 0.789 387 S HN 1.216 nan 8.310 nan 0.000 0.497 388 T N -0.564 113.889 114.554 -0.168 0.000 2.880 388 T HA 0.453 4.820 4.350 0.028 0.000 0.279 388 T C 0.095 174.639 174.700 -0.260 0.000 0.990 388 T CA -0.464 61.535 62.100 -0.169 0.000 0.938 388 T CB 0.530 69.369 68.868 -0.050 0.000 1.206 388 T HN 0.191 nan 8.240 nan 0.000 0.573 389 Y N 0.612 120.908 120.300 -0.006 0.000 2.523 389 Y HA 0.489 5.055 4.550 0.028 0.000 0.279 389 Y C 1.477 177.313 175.900 -0.107 0.000 1.139 389 Y CA -0.101 57.990 58.100 -0.015 0.000 1.296 389 Y CB -0.371 38.120 38.460 0.053 0.000 1.045 389 Y HN 0.627 nan 8.280 nan 0.000 0.538 390 A N 2.380 125.167 122.820 -0.055 0.000 2.454 390 A HA 0.203 4.540 4.320 0.028 0.000 0.260 390 A C -1.837 175.481 177.584 -0.443 0.000 1.106 390 A CA -1.197 50.563 52.037 -0.462 0.000 0.780 390 A CB -0.250 18.613 19.000 -0.227 0.000 1.044 390 A HN 0.090 nan 8.150 nan 0.000 0.498 391 P HA 0.033 nan 4.420 nan 0.000 0.262 391 P C -0.659 176.489 177.300 -0.255 0.000 1.647 391 P CA 0.570 63.468 63.100 -0.337 0.000 0.865 391 P CB -0.455 31.058 31.700 -0.312 0.000 1.834 392 E N 0.653 120.721 120.200 -0.220 0.000 2.256 392 E HA 0.587 4.954 4.350 0.028 0.000 0.243 392 E C 0.419 176.957 176.600 -0.103 0.000 0.925 392 E CA -0.594 55.722 56.400 -0.140 0.000 0.748 392 E CB 1.209 30.839 29.700 -0.117 0.000 1.206 392 E HN 0.260 nan 8.360 nan 0.000 0.428 393 G N 2.210 110.957 108.800 -0.088 0.000 2.451 393 G HA2 0.308 4.285 3.960 0.028 0.000 0.292 393 G HA3 0.308 4.285 3.960 0.028 0.000 0.292 393 G C -1.606 173.258 174.900 -0.059 0.000 1.427 393 G CA -0.875 44.182 45.100 -0.071 0.000 0.792 393 G HN 0.354 nan 8.290 nan 0.000 0.498 394 E N -1.127 119.045 120.200 -0.047 0.000 2.277 394 E HA 0.691 5.057 4.350 0.028 0.000 0.266 394 E C -1.254 175.329 176.600 -0.029 0.000 0.901 394 E CA -1.072 55.308 56.400 -0.034 0.000 0.782 394 E CB 2.786 32.474 29.700 -0.019 0.000 1.228 394 E HN 0.285 nan 8.360 nan 0.000 0.424 395 V N 2.535 122.437 119.914 -0.019 0.000 2.350 395 V HA 0.283 4.420 4.120 0.028 0.000 0.276 395 V C -0.606 175.521 176.094 0.055 0.000 1.028 395 V CA -0.683 61.615 62.300 -0.004 0.000 0.860 395 V CB 0.249 32.041 31.823 -0.053 0.000 0.990 395 V HN 0.486 nan 8.190 nan 0.000 0.453 396 L N 2.975 124.247 121.223 0.081 0.000 2.354 396 L HA 0.760 5.117 4.340 0.028 0.000 0.269 396 L C -0.553 176.404 176.870 0.145 0.000 1.005 396 L CA -1.079 53.823 54.840 0.102 0.000 0.819 396 L CB 1.424 43.512 42.059 0.048 0.000 1.311 396 L HN 0.497 nan 8.230 nan 0.000 0.423 397 K N 1.909 122.391 120.400 0.137 0.000 2.376 397 K HA 0.454 4.791 4.320 0.028 0.000 0.257 397 K C -0.644 175.964 176.600 0.014 0.000 0.939 397 K CA -0.449 55.868 56.287 0.050 0.000 0.809 397 K CB 0.665 33.214 32.500 0.082 0.000 1.121 397 K HN 0.744 nan 8.250 nan 0.000 0.425 398 N N 4.067 122.748 118.700 -0.031 0.000 2.708 398 N HA -0.180 4.576 4.740 0.028 0.000 0.255 398 N C -0.910 174.600 175.510 0.000 0.000 1.046 398 N CA 1.403 54.441 53.050 -0.018 0.000 0.715 398 N CB -0.977 37.504 38.487 -0.011 0.000 0.895 398 N HN 0.947 nan 8.380 nan 0.000 0.545 399 D N -2.168 118.231 120.400 -0.001 0.000 3.041 399 D HA -0.213 4.444 4.640 0.028 0.000 0.214 399 D C -0.140 176.167 176.300 0.013 0.000 1.153 399 D CA 1.572 55.574 54.000 0.002 0.000 0.972 399 D CB -0.106 40.692 40.800 -0.004 0.000 1.126 399 D HN 0.479 nan 8.370 nan 0.000 0.400 400 K N -0.215 120.201 120.400 0.026 0.000 2.324 400 K HA 0.460 4.797 4.320 0.028 0.000 0.253 400 K C -2.638 173.996 176.600 0.056 0.000 0.932 400 K CA -1.952 54.356 56.287 0.034 0.000 0.799 400 K CB 1.692 34.212 32.500 0.033 0.000 1.154 400 K HN -0.129 nan 8.250 nan 0.000 0.425 401 P HA 0.008 nan 4.420 nan 0.000 0.262 401 P C -0.255 177.095 177.300 0.082 0.000 1.182 401 P CA 0.125 63.258 63.100 0.056 0.000 0.761 401 P CB 0.337 32.056 31.700 0.031 0.000 0.795 402 I N 0.236 120.875 120.570 0.115 0.000 3.042 402 I HA 0.547 4.734 4.170 0.028 0.000 0.310 402 I C -0.564 175.624 176.117 0.118 0.000 1.117 402 I CA -1.562 59.832 61.300 0.157 0.000 1.003 402 I CB 2.135 40.329 38.000 0.323 0.000 1.228 402 I HN 0.146 nan 8.210 nan 0.000 0.443 403 R N 2.535 123.093 120.500 0.096 0.000 2.308 403 R HA 0.292 4.649 4.340 0.028 0.000 0.325 403 R C 0.582 176.921 176.300 0.064 0.000 1.161 403 R CA 0.179 56.303 56.100 0.041 0.000 1.022 403 R CB 0.412 30.712 30.300 -0.001 0.000 1.091 403 R HN 0.898 nan 8.270 nan 0.000 0.497 404 S N 2.409 118.119 115.700 0.017 0.000 2.422 404 S HA -0.239 4.248 4.470 0.028 0.000 0.241 404 S C 1.649 176.239 174.600 -0.017 0.000 1.076 404 S CA 1.922 60.093 58.200 -0.047 0.000 1.066 404 S CB -0.051 63.052 63.200 -0.162 0.000 0.890 404 S HN 0.815 nan 8.310 nan 0.000 0.465 405 G N 0.264 109.026 108.800 -0.064 0.000 2.813 405 G HA2 -0.031 3.946 3.960 0.028 0.000 0.209 405 G HA3 -0.031 3.946 3.960 0.028 0.000 0.209 405 G C 1.094 175.943 174.900 -0.085 0.000 1.150 405 G CA -0.100 44.934 45.100 -0.110 0.000 0.785 405 G HN 0.535 nan 8.290 nan 0.000 0.535 406 Q N -0.689 119.050 119.800 -0.101 0.000 2.488 406 Q HA 0.095 4.452 4.340 0.028 0.000 0.211 406 Q C -0.357 175.429 176.000 -0.357 0.000 0.967 406 Q CA 0.230 55.890 55.803 -0.239 0.000 0.926 406 Q CB 0.123 28.657 28.738 -0.341 0.000 0.992 406 Q HN 0.461 nan 8.270 nan 0.000 0.506 407 F N 0.976 120.903 119.950 -0.038 0.000 2.308 407 F HA 0.146 4.689 4.527 0.028 0.000 0.370 407 F C 0.767 176.536 175.800 -0.051 0.000 1.100 407 F CA -0.993 57.000 58.000 -0.013 0.000 1.108 407 F CB 1.012 40.020 39.000 0.012 0.000 1.293 407 F HN -0.145 nan 8.300 nan 0.000 0.478 408 D N 2.591 123.057 120.400 0.110 0.000 2.192 408 D HA -0.238 4.418 4.640 0.028 0.000 0.189 408 D C 2.309 178.630 176.300 0.034 0.000 1.007 408 D CA 1.992 56.021 54.000 0.049 0.000 0.859 408 D CB -0.263 40.568 40.800 0.053 0.000 0.936 408 D HN 0.726 nan 8.370 nan 0.000 0.447 409 G N 0.396 109.243 108.800 0.079 0.000 2.408 409 G HA2 -0.186 3.791 3.960 0.028 0.000 0.217 409 G HA3 -0.186 3.791 3.960 0.028 0.000 0.217 409 G C 1.795 176.670 174.900 -0.041 0.000 1.150 409 G CA 0.088 45.205 45.100 0.028 0.000 0.776 409 G HN 0.282 nan 8.290 nan 0.000 0.542 410 L N 0.456 121.655 121.223 -0.040 0.000 2.353 410 L HA -0.069 4.288 4.340 0.028 0.000 0.220 410 L C 2.756 179.510 176.870 -0.193 0.000 1.133 410 L CA 0.111 54.849 54.840 -0.170 0.000 0.798 410 L CB -0.123 41.767 42.059 -0.281 0.000 0.922 410 L HN 0.130 nan 8.230 nan 0.000 0.445 411 V N -0.196 119.617 119.914 -0.169 0.000 2.232 411 V HA -0.294 3.843 4.120 0.028 0.000 0.239 411 V C 2.316 178.273 176.094 -0.228 0.000 1.040 411 V CA 1.944 64.090 62.300 -0.256 0.000 0.996 411 V CB -0.507 31.167 31.823 -0.249 0.000 0.638 411 V HN 0.478 nan 8.190 nan 0.000 0.453 412 E N -0.031 120.067 120.200 -0.170 0.000 2.169 412 E HA -0.282 4.085 4.350 0.028 0.000 0.202 412 E C 2.190 178.650 176.600 -0.232 0.000 1.016 412 E CA 1.659 57.945 56.400 -0.189 0.000 0.817 412 E CB -0.219 29.412 29.700 -0.114 0.000 0.736 412 E HN 0.411 nan 8.360 nan 0.000 0.462 413 L N 0.780 121.884 121.223 -0.198 0.000 1.971 413 L HA -0.216 4.141 4.340 0.028 0.000 0.215 413 L C 2.402 179.143 176.870 -0.215 0.000 1.072 413 L CA 2.511 57.228 54.840 -0.204 0.000 0.758 413 L CB -1.474 40.471 42.059 -0.191 0.000 0.889 413 L HN 0.327 nan 8.230 nan 0.000 0.433 414 A N -1.218 121.471 122.820 -0.219 0.000 1.972 414 A HA -0.179 4.158 4.320 0.028 0.000 0.219 414 A C 2.177 179.636 177.584 -0.209 0.000 1.169 414 A CA 2.011 53.927 52.037 -0.201 0.000 0.635 414 A CB -0.913 17.962 19.000 -0.208 0.000 0.810 414 A HN 0.563 nan 8.150 nan 0.000 0.446 415 T N 0.786 115.182 114.554 -0.263 0.000 2.580 415 T HA -0.184 4.183 4.350 0.028 0.000 0.265 415 T C 1.795 176.235 174.700 -0.433 0.000 1.063 415 T CA 1.799 63.701 62.100 -0.331 0.000 1.170 415 T CB -0.524 68.075 68.868 -0.449 0.000 0.863 415 T HN 0.468 nan 8.240 nan 0.000 0.418 416 I N 0.836 121.087 120.570 -0.532 0.000 2.194 416 I HA -0.235 3.951 4.170 0.028 0.000 0.246 416 I C 2.611 178.618 176.117 -0.183 0.000 1.093 416 I CA 1.009 62.066 61.300 -0.404 0.000 1.355 416 I CB -0.748 37.105 38.000 -0.244 0.000 1.046 416 I HN 0.348 nan 8.210 nan 0.000 0.413 417 C N 0.755 119.959 119.300 -0.159 0.000 2.449 417 C HA 0.007 4.483 4.460 0.028 0.000 0.283 417 C C 2.847 177.793 174.990 -0.072 0.000 1.453 417 C CA 0.934 59.894 59.018 -0.097 0.000 1.779 417 C CB -1.372 26.308 27.740 -0.099 0.000 1.779 417 C HN 0.619 nan 8.230 nan 0.000 0.546 418 A N -0.630 122.138 122.820 -0.088 0.000 1.993 418 A HA 0.288 4.625 4.320 0.028 0.000 0.207 418 A C 1.810 179.380 177.584 -0.025 0.000 1.224 418 A CA 0.477 52.484 52.037 -0.050 0.000 0.749 418 A CB -0.169 18.802 19.000 -0.049 0.000 0.884 418 A HN 0.488 nan 8.150 nan 0.000 0.467 419 L N -1.137 120.067 121.223 -0.032 0.000 2.567 419 L HA 0.095 4.452 4.340 0.028 0.000 0.225 419 L C 1.134 178.046 176.870 0.070 0.000 1.119 419 L CA 0.226 55.090 54.840 0.041 0.000 0.871 419 L CB 0.231 42.358 42.059 0.113 0.000 1.036 419 L HN 0.482 nan 8.230 nan 0.000 0.459 420 C N 1.470 120.796 119.300 0.043 0.000 2.534 420 C HA 0.373 4.850 4.460 0.028 0.000 0.285 420 C C 0.162 175.168 174.990 0.027 0.000 1.505 420 C CA -0.435 58.615 59.018 0.054 0.000 1.715 420 C CB -1.501 26.282 27.740 0.072 0.000 2.935 420 C HN 0.369 nan 8.230 nan 0.000 0.540 421 N N 0.968 119.680 118.700 0.020 0.000 2.397 421 N HA 0.264 5.021 4.740 0.028 0.000 0.291 421 N C -1.239 174.280 175.510 0.015 0.000 1.065 421 N CA -0.048 53.009 53.050 0.010 0.000 0.884 421 N CB 1.553 40.039 38.487 -0.000 0.000 1.551 421 N HN 0.276 nan 8.380 nan 0.000 0.487 422 D N 1.630 122.039 120.400 0.015 0.000 3.071 422 D HA 0.303 4.959 4.640 0.028 0.000 0.259 422 D C -0.522 175.783 176.300 0.008 0.000 1.331 422 D CA 0.219 54.230 54.000 0.018 0.000 0.861 422 D CB 0.312 41.128 40.800 0.027 0.000 1.059 422 D HN 0.338 nan 8.370 nan 0.000 0.486 423 S N -0.712 114.990 115.700 0.003 0.000 2.705 423 S HA 0.715 5.202 4.470 0.028 0.000 0.280 423 S C -0.499 174.099 174.600 -0.003 0.000 1.174 423 S CA -0.784 57.412 58.200 -0.006 0.000 0.823 423 S CB 2.265 65.455 63.200 -0.016 0.000 1.162 423 S HN 0.219 nan 8.310 nan 0.000 0.487 424 S N -0.075 115.619 115.700 -0.010 0.000 2.625 424 S HA 0.802 5.289 4.470 0.028 0.000 0.271 424 S C -1.950 172.648 174.600 -0.003 0.000 1.161 424 S CA -0.736 57.466 58.200 0.003 0.000 0.820 424 S CB 1.268 64.475 63.200 0.012 0.000 1.137 424 S HN 0.614 nan 8.310 nan 0.000 0.470 425 L N 1.446 122.689 121.223 0.034 0.000 2.334 425 L HA 0.847 5.204 4.340 0.028 0.000 0.276 425 L C -1.291 175.650 176.870 0.119 0.000 1.014 425 L CA 0.023 54.904 54.840 0.068 0.000 0.815 425 L CB 1.591 43.715 42.059 0.109 0.000 1.268 425 L HN 0.996 nan 8.230 nan 0.000 0.428 426 D N 2.606 123.086 120.400 0.133 0.000 2.896 426 D HA 0.282 4.939 4.640 0.028 0.000 0.241 426 D C -1.613 174.775 176.300 0.147 0.000 1.188 426 D CA -0.314 53.759 54.000 0.123 0.000 0.879 426 D CB 1.125 41.943 40.800 0.031 0.000 1.553 426 D HN 0.283 nan 8.370 nan 0.000 0.515 427 F N 4.318 124.192 119.950 -0.126 0.000 2.421 427 F HA 0.362 4.906 4.527 0.028 0.000 0.358 427 F C -0.111 175.553 175.800 -0.228 0.000 1.115 427 F CA -0.913 56.833 58.000 -0.424 0.000 1.160 427 F CB 0.488 39.013 39.000 -0.792 0.000 1.123 427 F HN 0.273 nan 8.300 nan 0.000 0.508 428 N N 6.344 124.667 118.700 -0.628 0.000 2.439 428 N HA -0.005 4.752 4.740 0.028 0.000 0.243 428 N C 0.985 175.980 175.510 -0.859 0.000 1.088 428 N CA 0.022 52.741 53.050 -0.553 0.000 0.940 428 N CB 0.551 38.867 38.487 -0.286 0.000 1.180 428 N HN 0.715 nan 8.380 nan 0.000 0.505 429 E N 2.362 122.134 120.200 -0.712 0.000 2.037 429 E HA -0.218 4.149 4.350 0.028 0.000 0.214 429 E C 1.302 177.686 176.600 -0.361 0.000 1.041 429 E CA 1.974 58.047 56.400 -0.545 0.000 0.872 429 E CB -0.646 28.897 29.700 -0.262 0.000 0.785 429 E HN 0.659 nan 8.360 nan 0.000 0.476 430 T N 2.200 116.615 114.554 -0.232 0.000 2.493 430 T HA -0.256 4.111 4.350 0.028 0.000 0.256 430 T C 1.936 176.549 174.700 -0.144 0.000 1.195 430 T CA 2.263 64.274 62.100 -0.147 0.000 1.183 430 T CB -0.460 68.341 68.868 -0.112 0.000 0.863 430 T HN 0.181 nan 8.240 nan 0.000 0.418 431 K N 0.828 121.133 120.400 -0.158 0.000 1.977 431 K HA 0.037 4.374 4.320 0.028 0.000 0.218 431 K C 1.468 178.003 176.600 -0.108 0.000 1.051 431 K CA 1.346 57.566 56.287 -0.113 0.000 0.953 431 K CB -0.533 31.905 32.500 -0.103 0.000 0.727 431 K HN 0.631 nan 8.250 nan 0.000 0.445 432 G N 0.311 108.986 108.800 -0.208 0.000 2.468 432 G HA2 -0.004 3.973 3.960 0.028 0.000 0.143 432 G HA3 -0.004 3.973 3.960 0.028 0.000 0.143 432 G C -0.888 174.116 174.900 0.173 0.000 1.065 432 G CA -0.182 44.874 45.100 -0.074 0.000 0.776 432 G HN 0.326 nan 8.290 nan 0.000 0.486 433 V N -0.490 119.507 119.914 0.138 0.000 3.022 433 V HA 0.564 4.701 4.120 0.028 0.000 0.272 433 V C -0.920 175.379 176.094 0.341 0.000 1.584 433 V CA -1.570 60.952 62.300 0.369 0.000 0.974 433 V CB 1.052 33.013 31.823 0.231 0.000 1.219 433 V HN 0.719 nan 8.190 nan 0.000 0.450 434 Y N 3.724 124.277 120.300 0.421 0.000 2.497 434 Y HA 0.497 5.063 4.550 0.028 0.000 0.334 434 Y C 0.916 176.918 175.900 0.171 0.000 1.199 434 Y CA 0.363 58.649 58.100 0.311 0.000 1.425 434 Y CB 0.476 39.080 38.460 0.239 0.000 1.291 434 Y HN 0.597 nan 8.280 nan 0.000 0.562 435 E N 2.178 122.499 120.200 0.202 0.000 2.336 435 E HA 0.332 4.699 4.350 0.028 0.000 0.267 435 E C -1.007 175.521 176.600 -0.119 0.000 0.906 435 E CA -1.408 55.015 56.400 0.037 0.000 0.781 435 E CB 1.951 31.649 29.700 -0.003 0.000 1.261 435 E HN 0.490 nan 8.360 nan 0.000 0.436 436 K N -0.323 119.857 120.400 -0.367 0.000 2.202 436 K HA 0.404 4.741 4.320 0.028 0.000 0.264 436 K C -0.437 176.037 176.600 -0.210 0.000 1.010 436 K CA -0.580 55.427 56.287 -0.467 0.000 0.940 436 K CB 0.746 32.787 32.500 -0.766 0.000 0.983 436 K HN 0.092 nan 8.250 nan 0.000 0.475 437 V N 1.836 121.658 119.914 -0.152 0.000 2.315 437 V HA 0.459 4.596 4.120 0.028 0.000 0.265 437 V C 0.285 176.339 176.094 -0.067 0.000 1.019 437 V CA 0.239 62.490 62.300 -0.082 0.000 0.824 437 V CB -0.142 31.654 31.823 -0.046 0.000 1.072 437 V HN 1.163 nan 8.190 nan 0.000 0.448 438 G N 3.567 112.328 108.800 -0.066 0.000 2.396 438 G HA2 -0.028 3.949 3.960 0.028 0.000 0.254 438 G HA3 -0.028 3.949 3.960 0.028 0.000 0.254 438 G C -0.309 174.563 174.900 -0.047 0.000 1.248 438 G CA -0.365 44.709 45.100 -0.043 0.000 1.033 438 G HN 0.831 nan 8.290 nan 0.000 0.502 439 E N 0.692 120.875 120.200 -0.028 0.000 3.197 439 E HA 0.277 4.644 4.350 0.028 0.000 0.251 439 E C 1.580 178.170 176.600 -0.018 0.000 0.912 439 E CA 1.652 58.039 56.400 -0.022 0.000 0.960 439 E CB 0.352 30.038 29.700 -0.025 0.000 0.897 439 E HN 1.735 nan 8.360 nan 0.000 0.550 440 A N 4.001 126.824 122.820 0.005 0.000 2.076 440 A HA -0.193 4.144 4.320 0.028 0.000 0.220 440 A C 2.002 179.660 177.584 0.123 0.000 1.160 440 A CA 1.980 54.057 52.037 0.068 0.000 0.653 440 A CB -0.419 18.646 19.000 0.108 0.000 0.801 440 A HN 0.704 nan 8.150 nan 0.000 0.455 441 T N -0.245 114.341 114.554 0.053 0.000 2.623 441 T HA -0.097 4.270 4.350 0.028 0.000 0.254 441 T C 1.691 176.416 174.700 0.042 0.000 1.075 441 T CA 1.226 63.350 62.100 0.040 0.000 1.177 441 T CB -0.371 68.490 68.868 -0.012 0.000 0.869 441 T HN 0.606 nan 8.240 nan 0.000 0.403 442 E N 0.599 120.803 120.200 0.007 0.000 2.253 442 E HA -0.192 4.175 4.350 0.028 0.000 0.202 442 E C 2.222 178.836 176.600 0.023 0.000 1.014 442 E CA 1.543 57.944 56.400 0.002 0.000 0.823 442 E CB -0.325 29.368 29.700 -0.012 0.000 0.736 442 E HN 0.426 nan 8.360 nan 0.000 0.478 443 T N 0.483 115.062 114.554 0.042 0.000 2.777 443 T HA -0.088 4.279 4.350 0.028 0.000 0.266 443 T C 1.991 176.802 174.700 0.185 0.000 1.040 443 T CA 1.098 63.232 62.100 0.056 0.000 1.141 443 T CB -0.160 68.652 68.868 -0.093 0.000 0.868 443 T HN 0.289 nan 8.240 nan 0.000 0.444 444 A N 0.989 123.960 122.820 0.251 0.000 1.978 444 A HA -0.013 4.324 4.320 0.028 0.000 0.220 444 A C 2.175 179.789 177.584 0.050 0.000 1.170 444 A CA 1.117 53.247 52.037 0.155 0.000 0.636 444 A CB -0.692 18.352 19.000 0.074 0.000 0.810 444 A HN 0.340 nan 8.150 nan 0.000 0.448 445 L N -0.813 120.430 121.223 0.034 0.000 2.044 445 L HA -0.080 4.277 4.340 0.028 0.000 0.205 445 L C 2.722 179.587 176.870 -0.008 0.000 1.075 445 L CA 2.421 57.258 54.840 -0.004 0.000 0.747 445 L CB -1.087 40.964 42.059 -0.012 0.000 0.903 445 L HN 0.347 nan 8.230 nan 0.000 0.435 446 T N -1.281 113.281 114.554 0.012 0.000 2.684 446 T HA -0.205 4.162 4.350 0.028 0.000 0.267 446 T C 1.726 176.429 174.700 0.004 0.000 1.036 446 T CA 2.011 64.115 62.100 0.007 0.000 1.148 446 T CB -0.322 68.557 68.868 0.018 0.000 0.863 446 T HN 0.390 nan 8.240 nan 0.000 0.436 447 T N 2.303 116.876 114.554 0.031 0.000 2.803 447 T HA -0.079 4.288 4.350 0.028 0.000 0.269 447 T C 1.842 176.516 174.700 -0.043 0.000 1.052 447 T CA 0.920 63.022 62.100 0.003 0.000 1.136 447 T CB -0.421 68.472 68.868 0.042 0.000 0.864 447 T HN 0.160 nan 8.240 nan 0.000 0.467 448 L N 1.310 122.507 121.223 -0.044 0.000 2.027 448 L HA -0.007 4.350 4.340 0.028 0.000 0.206 448 L C 2.443 179.266 176.870 -0.079 0.000 1.074 448 L CA 1.465 56.263 54.840 -0.070 0.000 0.745 448 L CB -0.840 41.175 42.059 -0.073 0.000 0.898 448 L HN 0.052 nan 8.230 nan 0.000 0.433 449 V N 0.267 120.139 119.914 -0.069 0.000 2.370 449 V HA -0.297 3.840 4.120 0.028 0.000 0.252 449 V C 2.686 178.742 176.094 -0.063 0.000 1.068 449 V CA 1.918 64.175 62.300 -0.073 0.000 1.061 449 V CB -0.730 31.061 31.823 -0.054 0.000 0.656 449 V HN 0.509 nan 8.190 nan 0.000 0.455 450 E N 0.304 120.471 120.200 -0.055 0.000 1.999 450 E HA -0.177 4.190 4.350 0.028 0.000 0.194 450 E C 2.216 178.773 176.600 -0.071 0.000 0.995 450 E CA 1.117 57.483 56.400 -0.055 0.000 0.825 450 E CB -0.491 29.170 29.700 -0.065 0.000 0.777 450 E HN 0.547 nan 8.360 nan 0.000 0.459 451 K N 0.262 120.611 120.400 -0.085 0.000 2.097 451 K HA -0.229 4.108 4.320 0.028 0.000 0.214 451 K C 2.318 178.868 176.600 -0.084 0.000 1.052 451 K CA 1.967 58.203 56.287 -0.086 0.000 0.932 451 K CB -0.278 32.168 32.500 -0.091 0.000 0.716 451 K HN 0.103 nan 8.250 nan 0.000 0.455 452 M N -0.209 119.332 119.600 -0.098 0.000 2.139 452 M HA -0.187 4.310 4.480 0.028 0.000 0.260 452 M C 0.754 176.992 176.300 -0.103 0.000 1.078 452 M CA 1.427 56.656 55.300 -0.119 0.000 1.106 452 M CB -0.276 32.232 32.600 -0.152 0.000 1.275 452 M HN 0.226 nan 8.290 nan 0.000 0.425 453 N N -0.358 118.283 118.700 -0.098 0.000 2.814 453 N HA -0.119 4.638 4.740 0.028 0.000 0.247 453 N C 0.330 175.772 175.510 -0.113 0.000 1.089 453 N CA 0.532 53.539 53.050 -0.071 0.000 0.682 453 N CB -1.294 37.169 38.487 -0.039 0.000 0.970 453 N HN 0.340 nan 8.380 nan 0.000 0.554 454 V N -3.166 116.612 119.914 -0.227 0.000 2.636 454 V HA -0.187 3.949 4.120 0.028 0.000 0.258 454 V C 1.558 177.375 176.094 -0.463 0.000 1.092 454 V CA 2.123 64.190 62.300 -0.387 0.000 1.110 454 V CB -0.974 30.497 31.823 -0.587 0.000 0.685 454 V HN 0.369 nan 8.190 nan 0.000 0.481 455 F N 0.843 120.770 119.950 -0.039 0.000 2.641 455 F HA 0.438 4.982 4.527 0.028 0.000 0.302 455 F C 1.419 177.203 175.800 -0.027 0.000 1.098 455 F CA 0.032 58.013 58.000 -0.032 0.000 1.318 455 F CB -0.120 38.861 39.000 -0.031 0.000 1.035 455 F HN 0.152 nan 8.300 nan 0.000 0.551 456 N N -0.467 118.284 118.700 0.085 0.000 2.857 456 N HA -0.192 4.565 4.740 0.028 0.000 0.242 456 N C 0.146 175.691 175.510 0.058 0.000 0.983 456 N CA 1.188 54.269 53.050 0.052 0.000 0.934 456 N CB -1.720 36.794 38.487 0.044 0.000 1.115 456 N HN 0.155 nan 8.380 nan 0.000 0.593 457 T N 2.322 116.929 114.554 0.089 0.000 2.777 457 T HA -0.141 4.226 4.350 0.028 0.000 0.273 457 T C 0.602 175.321 174.700 0.032 0.000 1.016 457 T CA 0.598 62.734 62.100 0.060 0.000 1.156 457 T CB 0.501 69.411 68.868 0.069 0.000 1.019 457 T HN 0.016 nan 8.240 nan 0.000 0.503 458 E N 2.061 122.274 120.200 0.021 0.000 2.465 458 E HA 0.077 4.444 4.350 0.028 0.000 0.260 458 E C 0.893 177.499 176.600 0.010 0.000 0.980 458 E CA 0.131 56.539 56.400 0.012 0.000 0.927 458 E CB 0.736 30.441 29.700 0.009 0.000 0.934 458 E HN 0.566 nan 8.360 nan 0.000 0.459 459 V N 1.909 121.826 119.914 0.005 0.000 3.400 459 V HA 0.117 4.253 4.120 0.028 0.000 0.281 459 V C 1.636 177.729 176.094 -0.002 0.000 1.617 459 V CA 0.361 62.663 62.300 0.003 0.000 1.044 459 V CB 0.017 31.839 31.823 -0.002 0.000 0.858 459 V HN 0.611 nan 8.190 nan 0.000 0.425 460 R N 1.760 122.258 120.500 -0.003 0.000 2.073 460 R HA 0.072 4.428 4.340 0.028 0.000 0.229 460 R C 0.907 177.205 176.300 -0.003 0.000 1.120 460 R CA 1.925 58.022 56.100 -0.005 0.000 0.967 460 R CB -0.773 29.525 30.300 -0.005 0.000 0.862 460 R HN 0.601 nan 8.270 nan 0.000 0.436 461 N N 0.931 119.631 118.700 0.000 0.000 2.597 461 N HA 0.227 4.984 4.740 0.028 0.000 0.269 461 N C -0.960 174.552 175.510 0.004 0.000 1.204 461 N CA -0.251 52.800 53.050 0.002 0.000 0.947 461 N CB 0.361 38.849 38.487 0.002 0.000 1.258 461 N HN 0.133 nan 8.380 nan 0.000 0.508 462 L N -0.138 121.087 121.223 0.003 0.000 2.327 462 L HA 0.457 4.814 4.340 0.028 0.000 0.258 462 L C 0.071 176.943 176.870 0.004 0.000 1.024 462 L CA -1.063 53.782 54.840 0.008 0.000 0.825 462 L CB 1.927 43.994 42.059 0.013 0.000 1.386 462 L HN 0.092 nan 8.230 nan 0.000 0.417 463 S N -0.710 114.996 115.700 0.010 0.000 2.537 463 S HA 0.259 4.746 4.470 0.028 0.000 0.275 463 S C 0.528 175.120 174.600 -0.013 0.000 1.272 463 S CA -0.837 57.366 58.200 0.006 0.000 1.050 463 S CB 1.497 64.714 63.200 0.028 0.000 0.961 463 S HN 0.583 nan 8.310 nan 0.000 0.496 464 K N 1.300 121.637 120.400 -0.106 0.000 2.286 464 K HA -0.079 4.258 4.320 0.028 0.000 0.203 464 K C 1.260 177.740 176.600 -0.199 0.000 1.045 464 K CA 1.078 57.162 56.287 -0.338 0.000 0.935 464 K CB -0.481 31.394 32.500 -1.042 0.000 0.737 464 K HN 0.550 nan 8.250 nan 0.000 0.460 465 V N 0.645 120.618 119.914 0.098 0.000 3.235 465 V HA -0.082 4.055 4.120 0.028 0.000 0.259 465 V C 1.057 177.222 176.094 0.118 0.000 1.133 465 V CA 1.289 63.715 62.300 0.211 0.000 1.128 465 V CB -0.199 31.729 31.823 0.176 0.000 0.757 465 V HN 0.274 nan 8.190 nan 0.000 0.469 466 E N -0.214 120.037 120.200 0.084 0.000 2.676 466 E HA 0.110 4.477 4.350 0.028 0.000 0.222 466 E C 1.815 178.458 176.600 0.072 0.000 0.968 466 E CA -0.142 56.300 56.400 0.071 0.000 1.090 466 E CB 0.512 30.241 29.700 0.048 0.000 1.066 466 E HN 0.608 nan 8.360 nan 0.000 0.496 467 R N 0.587 121.141 120.500 0.090 0.000 2.237 467 R HA 0.285 4.641 4.340 0.028 0.000 0.195 467 R C 2.010 178.382 176.300 0.121 0.000 0.956 467 R CA 1.039 57.189 56.100 0.083 0.000 1.029 467 R CB -0.177 30.159 30.300 0.061 0.000 0.972 467 R HN 0.017 nan 8.270 nan 0.000 0.493 468 A N 1.790 124.754 122.820 0.241 0.000 1.903 468 A HA -0.217 4.120 4.320 0.028 0.000 0.219 468 A C 1.280 178.938 177.584 0.123 0.000 1.191 468 A CA 1.904 54.109 52.037 0.279 0.000 0.638 468 A CB -0.776 18.505 19.000 0.469 0.000 0.823 468 A HN 0.673 nan 8.150 nan 0.000 0.451 469 N N -1.004 117.758 118.700 0.103 0.000 2.328 469 N HA 0.443 5.200 4.740 0.028 0.000 0.247 469 N C 1.143 176.680 175.510 0.045 0.000 1.165 469 N CA 0.257 53.344 53.050 0.062 0.000 0.873 469 N CB 0.489 39.011 38.487 0.059 0.000 1.125 469 N HN 0.459 nan 8.380 nan 0.000 0.513 470 A N 0.468 123.314 122.820 0.044 0.000 1.851 470 A HA -0.174 4.163 4.320 0.028 0.000 0.216 470 A C 2.245 179.848 177.584 0.032 0.000 1.195 470 A CA 1.254 53.311 52.037 0.034 0.000 0.622 470 A CB -0.882 18.136 19.000 0.031 0.000 0.831 470 A HN 0.498 nan 8.150 nan 0.000 0.444 471 C N -0.200 119.117 119.300 0.029 0.000 2.422 471 C HA -0.079 4.398 4.460 0.028 0.000 0.279 471 C C 2.672 177.689 174.990 0.045 0.000 1.305 471 C CA 0.838 59.881 59.018 0.041 0.000 1.757 471 C CB -1.666 26.086 27.740 0.020 0.000 1.962 471 C HN 0.613 nan 8.230 nan 0.000 0.499 472 N N 1.595 120.310 118.700 0.026 0.000 2.058 472 N HA -0.133 4.624 4.740 0.028 0.000 0.191 472 N C 2.025 177.551 175.510 0.027 0.000 1.037 472 N CA 2.135 55.197 53.050 0.020 0.000 0.848 472 N CB -0.451 38.045 38.487 0.014 0.000 1.021 472 N HN 0.642 nan 8.380 nan 0.000 0.422 473 S N 1.214 116.929 115.700 0.025 0.000 2.359 473 S HA -0.134 4.353 4.470 0.028 0.000 0.223 473 S C 2.328 176.937 174.600 0.014 0.000 1.039 473 S CA 1.653 59.865 58.200 0.019 0.000 1.042 473 S CB -1.114 62.097 63.200 0.018 0.000 0.915 473 S HN 0.093 nan 8.310 nan 0.000 0.439 474 V N 2.719 122.645 119.914 0.020 0.000 2.313 474 V HA -0.236 3.901 4.120 0.028 0.000 0.253 474 V C 2.350 178.439 176.094 -0.007 0.000 1.070 474 V CA 2.170 64.471 62.300 0.001 0.000 1.057 474 V CB -0.986 30.863 31.823 0.043 0.000 0.653 474 V HN 0.551 nan 8.190 nan 0.000 0.450 475 I N -0.887 119.717 120.570 0.057 0.000 2.617 475 I HA -0.083 4.103 4.170 0.028 0.000 0.256 475 I C 2.558 178.692 176.117 0.030 0.000 1.167 475 I CA 0.885 62.232 61.300 0.078 0.000 1.469 475 I CB -0.406 37.653 38.000 0.099 0.000 1.098 475 I HN 0.201 nan 8.210 nan 0.000 0.436 476 R N 0.691 121.203 120.500 0.019 0.000 2.189 476 R HA -0.079 4.278 4.340 0.028 0.000 0.218 476 R C 1.883 178.189 176.300 0.009 0.000 1.074 476 R CA 0.746 56.858 56.100 0.019 0.000 0.991 476 R CB -0.163 30.148 30.300 0.019 0.000 0.883 476 R HN 0.479 nan 8.270 nan 0.000 0.457 477 Q N -0.039 119.755 119.800 -0.010 0.000 2.389 477 Q HA 0.002 4.359 4.340 0.028 0.000 0.204 477 Q C 0.998 176.974 176.000 -0.040 0.000 0.944 477 Q CA 0.613 56.400 55.803 -0.027 0.000 0.908 477 Q CB 0.346 29.058 28.738 -0.044 0.000 1.002 477 Q HN 0.123 nan 8.270 nan 0.000 0.493 478 L N -0.562 120.635 121.223 -0.043 0.000 2.607 478 L HA 0.210 4.567 4.340 0.028 0.000 0.228 478 L C -0.256 176.621 176.870 0.011 0.000 1.123 478 L CA 0.649 55.462 54.840 -0.045 0.000 0.890 478 L CB 0.647 42.651 42.059 -0.091 0.000 1.103 478 L HN 0.122 nan 8.230 nan 0.000 0.468 479 M N 0.024 119.643 119.600 0.032 0.000 2.284 479 M HA 0.228 4.725 4.480 0.028 0.000 0.281 479 M C -0.871 175.460 176.300 0.051 0.000 1.083 479 M CA -0.390 54.948 55.300 0.064 0.000 0.965 479 M CB 2.385 35.071 32.600 0.144 0.000 1.717 479 M HN -0.129 nan 8.290 nan 0.000 0.479 480 K N 3.413 123.837 120.400 0.040 0.000 2.266 480 K HA 0.245 4.581 4.320 0.028 0.000 0.274 480 K C -0.187 176.438 176.600 0.042 0.000 1.090 480 K CA -0.270 56.040 56.287 0.039 0.000 0.925 480 K CB 0.843 33.365 32.500 0.037 0.000 1.225 480 K HN 0.628 nan 8.250 nan 0.000 0.458 481 K N 5.301 125.727 120.400 0.043 0.000 2.294 481 K HA -0.018 4.319 4.320 0.028 0.000 0.288 481 K C 0.108 176.737 176.600 0.048 0.000 1.072 481 K CA 0.052 56.358 56.287 0.032 0.000 0.960 481 K CB 0.531 33.052 32.500 0.036 0.000 1.043 481 K HN 0.639 nan 8.250 nan 0.000 0.455 482 E N 3.489 123.728 120.200 0.066 0.000 2.013 482 E HA -0.052 4.315 4.350 0.028 0.000 0.194 482 E C 0.389 177.092 176.600 0.172 0.000 0.973 482 E CA 1.023 57.507 56.400 0.140 0.000 0.842 482 E CB -0.123 29.724 29.700 0.244 0.000 0.801 482 E HN 0.563 nan 8.360 nan 0.000 0.476 483 F N -0.350 119.603 119.950 0.005 0.000 2.575 483 F HA 0.638 5.182 4.527 0.028 0.000 0.330 483 F C -0.270 175.514 175.800 -0.026 0.000 1.056 483 F CA -1.115 56.861 58.000 -0.040 0.000 0.964 483 F CB 1.569 40.497 39.000 -0.120 0.000 1.258 483 F HN -0.201 nan 8.300 nan 0.000 0.484 484 T N 2.437 117.050 114.554 0.099 0.000 2.928 484 T HA 0.550 4.917 4.350 0.028 0.000 0.296 484 T C -1.220 173.471 174.700 -0.015 0.000 1.000 484 T CA -0.775 61.310 62.100 -0.025 0.000 0.989 484 T CB 0.705 69.578 68.868 0.009 0.000 1.005 484 T HN 0.800 nan 8.240 nan 0.000 0.442 485 L N 4.507 125.635 121.223 -0.158 0.000 2.295 485 L HA 0.421 4.778 4.340 0.028 0.000 0.288 485 L C 0.482 177.341 176.870 -0.017 0.000 1.079 485 L CA -0.985 53.630 54.840 -0.374 0.000 0.830 485 L CB 0.063 41.680 42.059 -0.738 0.000 1.200 485 L HN 0.672 nan 8.230 nan 0.000 0.438 486 E N 1.939 122.244 120.200 0.176 0.000 2.438 486 E HA 0.039 4.405 4.350 0.028 0.000 0.261 486 E C -0.359 176.445 176.600 0.341 0.000 1.103 486 E CA -0.266 56.298 56.400 0.273 0.000 0.959 486 E CB 0.337 30.216 29.700 0.298 0.000 0.958 486 E HN 0.312 nan 8.360 nan 0.000 0.447 487 F N 0.995 121.039 119.950 0.157 0.000 2.496 487 F HA 0.244 4.788 4.527 0.028 0.000 0.344 487 F C -0.128 175.763 175.800 0.152 0.000 1.155 487 F CA 0.325 58.410 58.000 0.142 0.000 1.302 487 F CB 0.579 39.639 39.000 0.100 0.000 1.159 487 F HN 0.270 nan 8.300 nan 0.000 0.595 488 S N 4.237 119.445 115.700 -0.819 0.000 2.533 488 S HA 0.345 4.832 4.470 0.028 0.000 0.271 488 S C 0.218 174.323 174.600 -0.825 0.000 1.143 488 S CA -0.937 56.943 58.200 -0.532 0.000 0.891 488 S CB 2.094 65.169 63.200 -0.208 0.000 1.105 488 S HN 0.658 nan 8.310 nan 0.000 0.468 489 R N 1.159 121.420 120.500 -0.399 0.000 2.328 489 R HA -0.059 4.298 4.340 0.028 0.000 0.207 489 R C 1.292 177.500 176.300 -0.153 0.000 1.056 489 R CA 1.395 57.364 56.100 -0.219 0.000 1.016 489 R CB -0.197 30.083 30.300 -0.032 0.000 0.872 489 R HN 0.691 nan 8.270 nan 0.000 0.471 490 D N 0.470 120.772 120.400 -0.163 0.000 2.162 490 D HA -0.170 4.486 4.640 0.028 0.000 0.205 490 D C 1.538 177.788 176.300 -0.083 0.000 0.964 490 D CA 0.976 54.920 54.000 -0.092 0.000 0.847 490 D CB -0.265 40.488 40.800 -0.077 0.000 0.988 490 D HN 0.258 nan 8.370 nan 0.000 0.480 491 R N -0.184 120.241 120.500 -0.124 0.000 2.362 491 R HA 0.199 4.556 4.340 0.028 0.000 0.227 491 R C 0.240 176.501 176.300 -0.064 0.000 0.905 491 R CA -0.334 55.731 56.100 -0.058 0.000 1.067 491 R CB -0.043 30.254 30.300 -0.005 0.000 1.078 491 R HN -0.243 nan 8.270 nan 0.000 0.516 492 K N 1.575 121.855 120.400 -0.200 0.000 2.884 492 K HA -0.210 4.126 4.320 0.028 0.000 0.247 492 K C -0.549 176.258 176.600 0.346 0.000 0.951 492 K CA 1.224 57.496 56.287 -0.024 0.000 0.706 492 K CB -1.366 31.226 32.500 0.152 0.000 1.240 492 K HN 0.767 nan 8.250 nan 0.000 0.484 493 S N -2.013 113.792 115.700 0.175 0.000 2.840 493 S HA 0.836 5.323 4.470 0.028 0.000 0.307 493 S C -0.759 174.095 174.600 0.424 0.000 1.180 493 S CA -0.743 57.675 58.200 0.363 0.000 0.846 493 S CB 2.264 65.585 63.200 0.202 0.000 1.233 493 S HN 0.241 nan 8.310 nan 0.000 0.548 494 M N 2.805 122.589 119.600 0.307 0.000 2.396 494 M HA 0.289 4.786 4.480 0.028 0.000 0.222 494 M C -1.063 175.322 176.300 0.142 0.000 0.972 494 M CA -0.141 55.312 55.300 0.256 0.000 0.887 494 M CB 1.110 33.915 32.600 0.342 0.000 2.378 494 M HN 1.141 nan 8.290 nan 0.000 0.446 495 S N 3.535 119.281 115.700 0.077 0.000 2.566 495 S HA 0.877 5.364 4.470 0.028 0.000 0.277 495 S C -0.137 174.448 174.600 -0.026 0.000 1.150 495 S CA -0.485 57.730 58.200 0.024 0.000 1.032 495 S CB 2.091 65.286 63.200 -0.009 0.000 1.157 495 S HN 1.356 nan 8.310 nan 0.000 0.507 496 V N 0.570 120.432 119.914 -0.087 0.000 2.822 496 V HA 0.277 4.413 4.120 0.028 0.000 0.275 496 V C -1.962 173.983 176.094 -0.248 0.000 1.267 496 V CA -0.706 61.513 62.300 -0.135 0.000 0.933 496 V CB 0.726 32.537 31.823 -0.019 0.000 1.082 496 V HN 0.911 nan 8.190 nan 0.000 0.465 497 Y N 6.080 125.991 120.300 -0.648 0.000 2.544 497 Y HA 0.523 5.090 4.550 0.028 0.000 0.330 497 Y C 0.469 176.083 175.900 -0.477 0.000 1.136 497 Y CA 0.854 58.509 58.100 -0.742 0.000 1.417 497 Y CB 0.678 38.243 38.460 -1.491 0.000 1.229 497 Y HN 0.836 nan 8.280 nan 0.000 0.532 498 C N 3.699 122.692 119.300 -0.511 0.000 2.707 498 C HA 0.667 5.144 4.460 0.028 0.000 0.313 498 C C -0.258 174.580 174.990 -0.252 0.000 1.209 498 C CA -0.870 57.997 59.018 -0.252 0.000 1.635 498 C CB 1.575 29.234 27.740 -0.136 0.000 2.206 498 C HN 0.817 nan 8.230 nan 0.000 0.485 499 S N 1.838 117.499 115.700 -0.065 0.000 2.536 499 S HA 0.697 5.184 4.470 0.028 0.000 0.298 499 S C -2.963 171.634 174.600 -0.006 0.000 1.083 499 S CA -1.073 57.111 58.200 -0.027 0.000 0.995 499 S CB 1.808 65.039 63.200 0.052 0.000 1.058 499 S HN 0.637 nan 8.310 nan 0.000 0.488 500 P HA 0.237 nan 4.420 nan 0.000 0.275 500 P C -0.513 176.792 177.300 0.009 0.000 1.276 500 P CA -0.086 63.018 63.100 0.006 0.000 0.782 500 P CB 0.297 31.997 31.700 -0.000 0.000 0.851 501 A N 5.150 127.975 122.820 0.009 0.000 2.531 501 A HA -0.008 4.329 4.320 0.028 0.000 0.236 501 A C 1.673 179.256 177.584 -0.002 0.000 1.062 501 A CA 0.085 52.125 52.037 0.004 0.000 0.760 501 A CB 0.095 19.093 19.000 -0.003 0.000 0.995 501 A HN 0.406 nan 8.150 nan 0.000 0.501 502 K N 1.405 121.805 120.400 0.000 0.000 2.113 502 K HA -0.117 4.219 4.320 0.028 0.000 0.208 502 K C 1.382 177.976 176.600 -0.009 0.000 1.047 502 K CA 1.802 58.088 56.287 -0.002 0.000 0.928 502 K CB -0.541 31.959 32.500 0.000 0.000 0.716 502 K HN 0.884 nan 8.250 nan 0.000 0.446 503 S N 1.010 116.700 115.700 -0.015 0.000 4.183 503 S HA 0.192 4.679 4.470 0.028 0.000 0.195 503 S C 0.203 174.781 174.600 -0.036 0.000 1.421 503 S CA -0.289 57.896 58.200 -0.025 0.000 0.920 503 S CB -0.398 62.785 63.200 -0.029 0.000 1.525 503 S HN 0.234 nan 8.310 nan 0.000 0.447 504 S N 1.270 116.953 115.700 -0.029 0.000 2.800 504 S HA 0.680 5.166 4.470 0.028 0.000 0.293 504 S C 0.006 174.593 174.600 -0.022 0.000 1.209 504 S CA -0.867 57.313 58.200 -0.033 0.000 0.884 504 S CB 1.092 64.277 63.200 -0.026 0.000 1.244 504 S HN 0.681 nan 8.310 nan 0.000 0.540 505 R N -0.601 119.889 120.500 -0.016 0.000 2.425 505 R HA 0.467 4.824 4.340 0.028 0.000 0.299 505 R C -0.120 176.180 176.300 0.000 0.000 0.830 505 R CA 0.184 56.279 56.100 -0.008 0.000 1.052 505 R CB 0.402 30.696 30.300 -0.010 0.000 1.747 505 R HN 0.783 nan 8.270 nan 0.000 0.472 506 A N 1.683 124.505 122.820 0.004 0.000 3.064 506 A HA 0.747 5.084 4.320 0.028 0.000 0.339 506 A C -0.229 177.364 177.584 0.016 0.000 1.078 506 A CA -0.319 51.727 52.037 0.015 0.000 0.869 506 A CB 0.547 19.564 19.000 0.028 0.000 1.067 506 A HN 0.348 nan 8.150 nan 0.000 0.480 507 A N 1.200 124.025 122.820 0.008 0.000 2.540 507 A HA 0.541 4.878 4.320 0.028 0.000 0.340 507 A C 0.008 177.591 177.584 -0.002 0.000 1.424 507 A CA -0.260 51.779 52.037 0.004 0.000 0.940 507 A CB 0.130 19.131 19.000 0.001 0.000 1.149 507 A HN 0.704 nan 8.150 nan 0.000 0.505 508 V N 3.558 123.469 119.914 -0.005 0.000 2.346 508 V HA 0.403 4.539 4.120 0.028 0.000 0.320 508 V C 1.492 177.567 176.094 -0.032 0.000 1.663 508 V CA 0.908 63.199 62.300 -0.014 0.000 1.667 508 V CB -1.821 29.994 31.823 -0.013 0.000 1.465 508 V HN 1.504 nan 8.190 nan 0.000 0.524 509 G N 2.430 111.214 108.800 -0.026 0.000 2.550 509 G HA2 -0.253 3.724 3.960 0.028 0.000 0.277 509 G HA3 -0.253 3.724 3.960 0.028 0.000 0.277 509 G C 0.003 174.860 174.900 -0.072 0.000 1.190 509 G CA 0.106 45.187 45.100 -0.032 0.000 0.971 509 G HN 0.528 nan 8.290 nan 0.000 0.559 510 N N 1.182 119.813 118.700 -0.115 0.000 2.477 510 N HA 0.683 5.440 4.740 0.028 0.000 0.284 510 N C -0.084 175.198 175.510 -0.380 0.000 1.182 510 N CA -0.303 52.587 53.050 -0.265 0.000 0.949 510 N CB 1.516 39.816 38.487 -0.311 0.000 1.204 510 N HN 0.536 nan 8.380 nan 0.000 0.526 511 K N 0.567 120.594 120.400 -0.622 0.000 2.466 511 K HA 0.542 4.879 4.320 0.028 0.000 0.260 511 K C -0.810 175.218 176.600 -0.953 0.000 1.011 511 K CA -0.504 55.356 56.287 -0.712 0.000 0.871 511 K CB 1.986 33.999 32.500 -0.812 0.000 1.404 511 K HN 0.495 nan 8.250 nan 0.000 0.450 512 M N 1.820 120.917 119.600 -0.839 0.000 2.122 512 M HA 0.331 4.827 4.480 0.028 0.000 0.269 512 M C -1.478 174.525 176.300 -0.494 0.000 0.954 512 M CA -0.529 54.400 55.300 -0.619 0.000 0.998 512 M CB 1.046 33.470 32.600 -0.295 0.000 1.755 512 M HN 0.314 nan 8.290 nan 0.000 0.459 513 F N 3.347 123.231 119.950 -0.110 0.000 2.335 513 F HA 0.427 4.971 4.527 0.028 0.000 0.365 513 F C 0.179 175.954 175.800 -0.042 0.000 1.122 513 F CA -0.813 57.144 58.000 -0.072 0.000 1.151 513 F CB 0.352 39.307 39.000 -0.075 0.000 1.282 513 F HN 0.118 nan 8.300 nan 0.000 0.513 514 V N 3.801 123.799 119.914 0.140 0.000 2.567 514 V HA 0.583 4.720 4.120 0.028 0.000 0.289 514 V C -0.321 175.831 176.094 0.097 0.000 1.049 514 V CA -0.884 61.479 62.300 0.105 0.000 0.969 514 V CB 1.702 33.583 31.823 0.095 0.000 0.995 514 V HN 0.727 nan 8.190 nan 0.000 0.471 515 K N 2.430 122.890 120.400 0.100 0.000 2.565 515 K HA 0.817 5.154 4.320 0.028 0.000 0.251 515 K C -0.538 176.135 176.600 0.122 0.000 0.956 515 K CA -0.265 56.071 56.287 0.082 0.000 0.809 515 K CB 2.007 34.534 32.500 0.046 0.000 1.267 515 K HN 0.895 nan 8.250 nan 0.000 0.438 516 G N 1.042 109.918 108.800 0.126 0.000 2.677 516 G HA2 0.616 4.592 3.960 0.028 0.000 0.283 516 G HA3 0.616 4.592 3.960 0.028 0.000 0.283 516 G C -1.384 173.604 174.900 0.147 0.000 1.221 516 G CA -0.599 44.610 45.100 0.181 0.000 0.851 516 G HN 0.788 nan 8.290 nan 0.000 0.504 517 A N 0.652 123.581 122.820 0.182 0.000 2.450 517 A HA 0.606 4.943 4.320 0.028 0.000 0.255 517 A C -0.870 176.786 177.584 0.119 0.000 1.096 517 A CA -0.413 51.708 52.037 0.140 0.000 0.778 517 A CB 0.293 19.387 19.000 0.156 0.000 1.031 517 A HN 0.291 nan 8.150 nan 0.000 0.494 518 P HA -0.318 nan 4.420 nan 0.000 0.218 518 P C 1.464 178.813 177.300 0.082 0.000 1.165 518 P CA 2.098 65.257 63.100 0.097 0.000 0.922 518 P CB 0.043 31.788 31.700 0.076 0.000 0.794 519 E N -0.371 119.868 120.200 0.066 0.000 2.012 519 E HA -0.242 4.124 4.350 0.028 0.000 0.211 519 E C 2.275 178.909 176.600 0.057 0.000 1.029 519 E CA 2.234 58.663 56.400 0.050 0.000 0.867 519 E CB -2.010 27.718 29.700 0.047 0.000 0.790 519 E HN 0.244 nan 8.360 nan 0.000 0.482 520 G N 1.558 110.399 108.800 0.068 0.000 2.631 520 G HA2 -0.317 3.660 3.960 0.028 0.000 0.219 520 G HA3 -0.317 3.660 3.960 0.028 0.000 0.219 520 G C 1.955 176.901 174.900 0.078 0.000 1.214 520 G CA 2.472 47.612 45.100 0.068 0.000 0.785 520 G HN 0.241 nan 8.290 nan 0.000 0.596 521 V N 1.290 121.266 119.914 0.102 0.000 2.252 521 V HA -0.220 3.917 4.120 0.028 0.000 0.249 521 V C 2.833 178.998 176.094 0.120 0.000 1.056 521 V CA 1.937 64.307 62.300 0.117 0.000 1.022 521 V CB -0.526 31.379 31.823 0.137 0.000 0.641 521 V HN 0.434 nan 8.190 nan 0.000 0.445 522 I N 0.067 120.711 120.570 0.123 0.000 2.248 522 I HA -0.274 3.913 4.170 0.028 0.000 0.248 522 I C 2.320 178.466 176.117 0.048 0.000 1.107 522 I CA 1.816 63.177 61.300 0.102 0.000 1.373 522 I CB -0.463 37.556 38.000 0.032 0.000 1.055 522 I HN 0.393 nan 8.210 nan 0.000 0.418 523 D N 1.039 121.461 120.400 0.036 0.000 2.350 523 D HA -0.106 4.551 4.640 0.028 0.000 0.216 523 D C 1.566 177.875 176.300 0.016 0.000 0.968 523 D CA 0.765 54.774 54.000 0.015 0.000 0.894 523 D CB 0.199 41.008 40.800 0.016 0.000 0.909 523 D HN 0.393 nan 8.370 nan 0.000 0.520 524 R N -0.692 119.830 120.500 0.038 0.000 2.507 524 R HA 0.212 4.569 4.340 0.028 0.000 0.298 524 R C -0.049 176.274 176.300 0.038 0.000 0.999 524 R CA -0.217 55.904 56.100 0.035 0.000 1.082 524 R CB 0.383 30.715 30.300 0.054 0.000 1.246 524 R HN 0.031 nan 8.270 nan 0.000 0.553 525 C N 1.604 120.928 119.300 0.041 0.000 2.273 525 C HA 0.312 4.789 4.460 0.028 0.000 0.328 525 C C 1.278 176.234 174.990 -0.057 0.000 1.275 525 C CA -0.850 58.200 59.018 0.054 0.000 1.704 525 C CB 0.612 28.441 27.740 0.148 0.000 2.326 525 C HN 0.474 nan 8.230 nan 0.000 0.517 526 N N 0.876 119.451 118.700 -0.208 0.000 2.373 526 N HA 0.091 4.847 4.740 0.028 0.000 0.181 526 N C -0.467 174.653 175.510 -0.650 0.000 1.082 526 N CA 0.739 53.485 53.050 -0.507 0.000 0.885 526 N CB 0.376 38.379 38.487 -0.806 0.000 0.977 526 N HN 0.707 nan 8.380 nan 0.000 0.462 527 Y N -1.161 119.183 120.300 0.073 0.000 2.665 527 Y HA 0.603 5.170 4.550 0.028 0.000 0.336 527 Y C -0.138 175.840 175.900 0.131 0.000 1.085 527 Y CA -1.049 57.100 58.100 0.083 0.000 1.096 527 Y CB 1.309 39.812 38.460 0.072 0.000 1.301 527 Y HN -0.441 nan 8.280 nan 0.000 0.493 528 V N 1.205 121.316 119.914 0.328 0.000 2.686 528 V HA 0.459 4.596 4.120 0.028 0.000 0.306 528 V C -0.885 175.350 176.094 0.236 0.000 1.065 528 V CA -1.049 61.436 62.300 0.309 0.000 0.894 528 V CB 2.052 34.031 31.823 0.261 0.000 1.004 528 V HN 0.673 nan 8.190 nan 0.000 0.424 529 R N 3.803 124.427 120.500 0.206 0.000 2.210 529 R HA 0.518 4.874 4.340 0.028 0.000 0.338 529 R C -1.061 175.319 176.300 0.134 0.000 1.062 529 R CA -0.192 55.984 56.100 0.126 0.000 0.902 529 R CB 0.988 31.330 30.300 0.070 0.000 1.050 529 R HN 0.509 nan 8.270 nan 0.000 0.461 530 V N 6.753 126.737 119.914 0.117 0.000 2.218 530 V HA 0.360 4.497 4.120 0.028 0.000 0.261 530 V C 1.210 177.363 176.094 0.098 0.000 1.142 530 V CA 0.564 62.934 62.300 0.117 0.000 0.965 530 V CB -0.121 31.764 31.823 0.104 0.000 1.190 530 V HN 1.165 nan 8.190 nan 0.000 0.478 531 G N 4.677 113.540 108.800 0.104 0.000 3.594 531 G HA2 -0.331 3.646 3.960 0.028 0.000 0.285 531 G HA3 -0.331 3.646 3.960 0.028 0.000 0.285 531 G C 0.854 175.793 174.900 0.064 0.000 1.551 531 G CA 0.748 45.904 45.100 0.094 0.000 1.061 531 G HN 0.501 nan 8.290 nan 0.000 0.624 532 T N 1.141 115.726 114.554 0.051 0.000 2.964 532 T HA 0.352 4.718 4.350 0.028 0.000 0.250 532 T C 1.357 176.074 174.700 0.028 0.000 0.982 532 T CA 1.772 63.894 62.100 0.035 0.000 0.959 532 T CB -0.137 68.749 68.868 0.030 0.000 1.141 532 T HN 1.265 nan 8.240 nan 0.000 0.494 533 T N 0.968 115.542 114.554 0.033 0.000 2.788 533 T HA 0.516 4.883 4.350 0.028 0.000 0.287 533 T C -0.059 174.657 174.700 0.027 0.000 1.007 533 T CA -0.704 61.410 62.100 0.023 0.000 1.005 533 T CB 1.331 70.217 68.868 0.030 0.000 1.012 533 T HN 0.182 nan 8.240 nan 0.000 0.530 534 R N 0.063 120.567 120.500 0.006 0.000 2.750 534 R HA 0.672 5.029 4.340 0.028 0.000 0.281 534 R C -1.521 174.799 176.300 0.034 0.000 0.972 534 R CA -0.846 55.258 56.100 0.007 0.000 0.912 534 R CB 2.062 32.302 30.300 -0.101 0.000 1.187 534 R HN 0.822 nan 8.270 nan 0.000 0.464 535 V N -0.151 119.828 119.914 0.108 0.000 3.087 535 V HA 0.630 4.766 4.120 0.028 0.000 0.306 535 V C -2.743 173.488 176.094 0.228 0.000 1.187 535 V CA -2.259 60.122 62.300 0.134 0.000 0.999 535 V CB 1.954 33.837 31.823 0.100 0.000 1.049 535 V HN 0.752 nan 8.190 nan 0.000 0.431 536 P HA 0.061 nan 4.420 nan 0.000 0.264 536 P C -0.392 176.968 177.300 0.101 0.000 1.183 536 P CA 0.080 63.290 63.100 0.183 0.000 0.763 536 P CB 0.477 32.240 31.700 0.105 0.000 0.807 537 M N 4.415 124.041 119.600 0.044 0.000 2.227 537 M HA 0.179 4.676 4.480 0.028 0.000 0.349 537 M C -0.090 176.198 176.300 -0.019 0.000 1.443 537 M CA 0.630 55.938 55.300 0.012 0.000 1.110 537 M CB -0.337 32.248 32.600 -0.025 0.000 1.773 537 M HN 0.444 nan 8.290 nan 0.000 0.463 538 T N 1.892 116.433 114.554 -0.020 0.000 2.912 538 T HA 0.695 5.062 4.350 0.028 0.000 0.288 538 T C 1.041 175.707 174.700 -0.057 0.000 1.030 538 T CA -0.514 61.563 62.100 -0.038 0.000 1.020 538 T CB 1.469 70.317 68.868 -0.034 0.000 1.056 538 T HN 0.738 nan 8.240 nan 0.000 0.480 539 G N 1.935 110.697 108.800 -0.063 0.000 2.631 539 G HA2 -0.147 3.830 3.960 0.028 0.000 0.219 539 G HA3 -0.147 3.830 3.960 0.028 0.000 0.219 539 G C -0.907 173.945 174.900 -0.080 0.000 1.214 539 G CA 1.188 46.246 45.100 -0.071 0.000 0.785 539 G HN 0.687 nan 8.290 nan 0.000 0.596 540 P HA -0.149 nan 4.420 nan 0.000 0.217 540 P C 2.163 179.419 177.300 -0.073 0.000 1.158 540 P CA 1.726 64.767 63.100 -0.100 0.000 0.887 540 P CB -0.222 31.389 31.700 -0.148 0.000 0.792 541 V N 0.242 120.115 119.914 -0.068 0.000 2.220 541 V HA -0.292 3.844 4.120 0.028 0.000 0.246 541 V C 2.511 178.533 176.094 -0.121 0.000 1.049 541 V CA 2.402 64.659 62.300 -0.072 0.000 1.003 541 V CB -1.232 30.563 31.823 -0.047 0.000 0.634 541 V HN 0.121 nan 8.190 nan 0.000 0.444 542 K N -0.184 120.141 120.400 -0.125 0.000 2.160 542 K HA -0.244 4.093 4.320 0.028 0.000 0.206 542 K C 2.045 178.567 176.600 -0.130 0.000 1.047 542 K CA 1.739 57.934 56.287 -0.153 0.000 0.930 542 K CB -0.166 32.266 32.500 -0.113 0.000 0.720 542 K HN 0.431 nan 8.250 nan 0.000 0.450 543 E N 0.682 120.822 120.200 -0.099 0.000 2.077 543 E HA -0.195 4.172 4.350 0.028 0.000 0.193 543 E C 1.901 178.446 176.600 -0.092 0.000 0.989 543 E CA 1.157 57.508 56.400 -0.082 0.000 0.800 543 E CB -0.131 29.530 29.700 -0.064 0.000 0.746 543 E HN 0.211 nan 8.360 nan 0.000 0.452 544 K N 1.244 121.583 120.400 -0.102 0.000 2.025 544 K HA -0.033 4.303 4.320 0.028 0.000 0.207 544 K C 2.107 178.596 176.600 -0.184 0.000 1.049 544 K CA 0.850 57.062 56.287 -0.127 0.000 0.933 544 K CB -0.513 31.922 32.500 -0.108 0.000 0.714 544 K HN 0.046 nan 8.250 nan 0.000 0.438 545 I N 0.575 121.032 120.570 -0.189 0.000 2.099 545 I HA -0.315 3.872 4.170 0.028 0.000 0.239 545 I C 2.213 178.268 176.117 -0.104 0.000 1.066 545 I CA 1.377 62.585 61.300 -0.154 0.000 1.324 545 I CB -0.372 37.419 38.000 -0.349 0.000 1.037 545 I HN 0.100 nan 8.210 nan 0.000 0.401 546 L N 0.063 121.214 121.223 -0.121 0.000 2.129 546 L HA -0.274 4.083 4.340 0.028 0.000 0.212 546 L C 2.777 179.593 176.870 -0.091 0.000 1.087 546 L CA 1.469 56.259 54.840 -0.083 0.000 0.757 546 L CB -0.627 41.389 42.059 -0.072 0.000 0.896 546 L HN 0.342 nan 8.230 nan 0.000 0.434 547 S N -0.152 115.479 115.700 -0.114 0.000 2.351 547 S HA -0.176 4.311 4.470 0.028 0.000 0.220 547 S C 1.880 176.380 174.600 -0.166 0.000 1.035 547 S CA 1.781 59.909 58.200 -0.120 0.000 1.031 547 S CB -0.194 62.932 63.200 -0.123 0.000 0.928 547 S HN 0.212 nan 8.310 nan 0.000 0.433 548 V N 1.905 121.659 119.914 -0.267 0.000 2.667 548 V HA -0.044 4.092 4.120 0.028 0.000 0.252 548 V C 2.147 177.936 176.094 -0.507 0.000 1.065 548 V CA 1.436 63.469 62.300 -0.444 0.000 1.083 548 V CB -0.693 30.700 31.823 -0.716 0.000 0.692 548 V HN 0.518 nan 8.190 nan 0.000 0.468 549 I N -0.038 120.383 120.570 -0.249 0.000 2.439 549 I HA -0.189 3.998 4.170 0.028 0.000 0.251 549 I C 2.506 178.588 176.117 -0.058 0.000 1.139 549 I CA 1.402 62.615 61.300 -0.146 0.000 1.438 549 I CB -0.383 37.598 38.000 -0.031 0.000 1.085 549 I HN 0.235 nan 8.210 nan 0.000 0.427 550 K N 1.223 121.588 120.400 -0.059 0.000 2.148 550 K HA -0.214 4.123 4.320 0.028 0.000 0.204 550 K C 2.028 178.642 176.600 0.023 0.000 1.050 550 K CA 1.360 57.642 56.287 -0.009 0.000 0.942 550 K CB 0.076 32.564 32.500 -0.019 0.000 0.724 550 K HN 0.300 nan 8.250 nan 0.000 0.446 551 E N -0.541 119.659 120.200 -0.002 0.000 2.046 551 E HA -0.154 4.213 4.350 0.028 0.000 0.190 551 E C 1.498 178.246 176.600 0.246 0.000 0.982 551 E CA 0.886 57.337 56.400 0.085 0.000 0.800 551 E CB -0.007 29.731 29.700 0.064 0.000 0.756 551 E HN 0.366 nan 8.360 nan 0.000 0.449 552 W N 0.030 121.362 121.300 0.053 0.000 2.425 552 W HA 0.077 4.754 4.660 0.028 0.000 0.277 552 W C 2.155 178.696 176.519 0.038 0.000 1.231 552 W CA 1.074 58.450 57.345 0.052 0.000 1.248 552 W CB -0.972 28.536 29.460 0.080 0.000 1.117 552 W HN 0.184 nan 8.180 nan 0.000 0.568 553 G N -1.113 107.841 108.800 0.256 0.000 2.683 553 G HA2 -0.060 3.917 3.960 0.028 0.000 0.213 553 G HA3 -0.060 3.917 3.960 0.028 0.000 0.213 553 G C 1.210 176.173 174.900 0.105 0.000 1.142 553 G CA 1.461 46.655 45.100 0.157 0.000 0.793 553 G HN 0.281 nan 8.290 nan 0.000 0.534 554 T N -2.953 111.662 114.554 0.101 0.000 2.975 554 T HA 0.390 4.757 4.350 0.028 0.000 0.261 554 T C 1.532 176.272 174.700 0.068 0.000 0.984 554 T CA 0.592 62.734 62.100 0.069 0.000 0.911 554 T CB 0.621 69.521 68.868 0.053 0.000 1.127 554 T HN 0.236 nan 8.240 nan 0.000 0.514 555 G N 1.736 110.592 108.800 0.094 0.000 2.466 555 G HA2 0.196 4.173 3.960 0.028 0.000 0.279 555 G HA3 0.196 4.173 3.960 0.028 0.000 0.279 555 G C 0.744 175.677 174.900 0.054 0.000 1.410 555 G CA -0.668 44.481 45.100 0.082 0.000 1.065 555 G HN 0.406 nan 8.290 nan 0.000 0.547 556 R N -0.245 120.279 120.500 0.041 0.000 2.299 556 R HA 0.055 4.411 4.340 0.028 0.000 0.197 556 R C -0.112 176.192 176.300 0.007 0.000 0.971 556 R CA 0.920 57.032 56.100 0.020 0.000 1.030 556 R CB 0.122 30.430 30.300 0.013 0.000 0.932 556 R HN 0.561 nan 8.270 nan 0.000 0.477 557 D N 0.003 120.409 120.400 0.010 0.000 3.068 557 D HA 0.035 4.692 4.640 0.028 0.000 0.327 557 D C -0.602 175.695 176.300 -0.005 0.000 1.361 557 D CA -0.504 53.486 54.000 -0.018 0.000 0.877 557 D CB 0.323 41.087 40.800 -0.060 0.000 1.088 557 D HN -0.280 nan 8.370 nan 0.000 0.489 558 T N 1.465 116.025 114.554 0.011 0.000 2.237 558 T HA -0.124 4.243 4.350 0.028 0.000 0.187 558 T C 0.243 174.957 174.700 0.024 0.000 1.119 558 T CA 0.655 62.769 62.100 0.023 0.000 2.157 558 T CB -0.439 68.430 68.868 0.002 0.000 0.989 558 T HN 0.326 nan 8.240 nan 0.000 0.409 559 L N 2.880 124.143 121.223 0.067 0.000 2.354 559 L HA 0.586 4.943 4.340 0.028 0.000 0.269 559 L C 0.522 177.451 176.870 0.098 0.000 1.005 559 L CA -1.138 53.743 54.840 0.069 0.000 0.819 559 L CB 2.148 44.259 42.059 0.086 0.000 1.311 559 L HN 0.422 nan 8.230 nan 0.000 0.423 560 R N 1.248 121.791 120.500 0.072 0.000 2.207 560 R HA 0.472 4.829 4.340 0.028 0.000 0.334 560 R C -1.220 175.139 176.300 0.099 0.000 1.013 560 R CA -0.366 55.777 56.100 0.073 0.000 0.858 560 R CB 0.800 31.123 30.300 0.038 0.000 1.094 560 R HN 0.659 nan 8.270 nan 0.000 0.457 561 C N 4.950 124.325 119.300 0.124 0.000 2.370 561 C HA 0.580 5.057 4.460 0.028 0.000 0.354 561 C C -0.769 174.273 174.990 0.086 0.000 1.218 561 C CA -0.796 58.305 59.018 0.137 0.000 2.154 561 C CB 0.693 28.534 27.740 0.168 0.000 2.391 561 C HN 0.632 nan 8.230 nan 0.000 0.540 562 L N 2.345 123.607 121.223 0.066 0.000 2.386 562 L HA 0.666 5.023 4.340 0.028 0.000 0.271 562 L C 0.329 177.221 176.870 0.036 0.000 0.993 562 L CA -0.153 54.715 54.840 0.047 0.000 0.819 562 L CB 1.364 43.435 42.059 0.020 0.000 1.294 562 L HN 0.841 nan 8.230 nan 0.000 0.414 563 A N 3.325 126.184 122.820 0.066 0.000 2.331 563 A HA 0.751 5.088 4.320 0.028 0.000 0.283 563 A C -0.953 176.638 177.584 0.012 0.000 1.142 563 A CA -0.286 51.801 52.037 0.082 0.000 0.812 563 A CB 0.297 19.404 19.000 0.178 0.000 1.074 563 A HN 0.488 nan 8.150 nan 0.000 0.497 564 L N 1.833 122.992 121.223 -0.106 0.000 2.313 564 L HA 0.768 5.125 4.340 0.028 0.000 0.283 564 L C 0.443 177.209 176.870 -0.173 0.000 1.013 564 L CA 0.251 55.015 54.840 -0.126 0.000 0.816 564 L CB 1.031 42.983 42.059 -0.179 0.000 1.236 564 L HN 0.946 nan 8.230 nan 0.000 0.419 565 A N 1.936 124.734 122.820 -0.037 0.000 2.552 565 A HA 0.938 5.275 4.320 0.028 0.000 0.288 565 A C -0.794 176.844 177.584 0.090 0.000 1.193 565 A CA -0.451 51.590 52.037 0.006 0.000 0.713 565 A CB 2.063 21.113 19.000 0.084 0.000 1.305 565 A HN 0.498 nan 8.150 nan 0.000 0.424 566 T N -0.678 113.941 114.554 0.109 0.000 2.853 566 T HA 0.557 4.924 4.350 0.028 0.000 0.311 566 T C -1.424 173.316 174.700 0.067 0.000 1.307 566 T CA -0.544 61.630 62.100 0.124 0.000 1.019 566 T CB 1.356 70.369 68.868 0.241 0.000 1.264 566 T HN 0.701 nan 8.240 nan 0.000 0.497 567 R N 2.033 122.522 120.500 -0.018 0.000 2.229 567 R HA 0.340 4.696 4.340 0.028 0.000 0.332 567 R C -0.021 176.238 176.300 -0.069 0.000 0.989 567 R CA -0.511 55.581 56.100 -0.015 0.000 0.842 567 R CB 0.698 30.978 30.300 -0.033 0.000 1.119 567 R HN 0.635 nan 8.270 nan 0.000 0.456 568 D N 0.952 121.341 120.400 -0.020 0.000 2.162 568 D HA -0.061 4.596 4.640 0.028 0.000 0.205 568 D C 0.355 176.618 176.300 -0.061 0.000 0.964 568 D CA 1.353 55.322 54.000 -0.052 0.000 0.847 568 D CB 0.441 41.210 40.800 -0.053 0.000 0.988 568 D HN 0.534 nan 8.370 nan 0.000 0.480 569 T N 0.732 115.273 114.554 -0.021 0.000 3.253 569 T HA 0.415 4.781 4.350 0.028 0.000 0.391 569 T C -2.602 172.111 174.700 0.022 0.000 1.527 569 T CA -1.685 60.412 62.100 -0.004 0.000 1.268 569 T CB 1.753 70.632 68.868 0.018 0.000 1.126 569 T HN -0.115 nan 8.240 nan 0.000 0.620 570 P HA 0.353 nan 4.420 nan 0.000 0.277 570 P C -2.260 175.128 177.300 0.146 0.000 1.240 570 P CA -1.421 61.715 63.100 0.060 0.000 0.798 570 P CB 0.241 31.917 31.700 -0.039 0.000 0.979 571 P HA 0.087 nan 4.420 nan 0.000 0.270 571 P C -0.117 177.316 177.300 0.221 0.000 1.227 571 P CA 0.010 63.234 63.100 0.207 0.000 0.788 571 P CB 0.651 32.515 31.700 0.273 0.000 0.926 572 K N 0.818 121.315 120.400 0.160 0.000 2.401 572 K HA -0.013 4.323 4.320 0.028 0.000 0.278 572 K C 1.589 178.251 176.600 0.103 0.000 1.018 572 K CA -0.180 56.187 56.287 0.133 0.000 0.981 572 K CB 0.334 32.887 32.500 0.088 0.000 0.933 572 K HN 0.202 nan 8.250 nan 0.000 0.477 573 R N 2.606 123.151 120.500 0.075 0.000 2.204 573 R HA -0.227 4.130 4.340 0.028 0.000 0.253 573 R C 0.769 177.021 176.300 -0.080 0.000 1.172 573 R CA 2.010 58.073 56.100 -0.061 0.000 0.994 573 R CB -0.038 30.235 30.300 -0.045 0.000 0.874 573 R HN 0.665 nan 8.270 nan 0.000 0.462 574 E N -0.023 120.167 120.200 -0.016 0.000 2.112 574 E HA -0.075 4.292 4.350 0.028 0.000 0.190 574 E C 1.484 178.090 176.600 0.012 0.000 0.979 574 E CA 1.229 57.620 56.400 -0.015 0.000 0.814 574 E CB -0.000 29.702 29.700 0.005 0.000 0.762 574 E HN 0.389 nan 8.360 nan 0.000 0.460 575 E N 0.043 120.277 120.200 0.056 0.000 2.478 575 E HA -0.042 4.325 4.350 0.028 0.000 0.198 575 E C 0.224 176.941 176.600 0.195 0.000 1.046 575 E CA 0.514 56.978 56.400 0.107 0.000 0.870 575 E CB -0.107 29.669 29.700 0.125 0.000 0.818 575 E HN 0.368 nan 8.360 nan 0.000 0.527 576 M N 1.034 120.700 119.600 0.111 0.000 2.238 576 M HA 0.283 4.779 4.480 0.028 0.000 0.350 576 M C -0.636 175.600 176.300 -0.106 0.000 1.138 576 M CA -0.556 54.761 55.300 0.028 0.000 1.040 576 M CB 2.413 34.840 32.600 -0.290 0.000 1.639 576 M HN -0.332 nan 8.290 nan 0.000 0.451 577 V N 5.241 125.155 119.914 -0.000 0.000 2.340 577 V HA 0.177 4.314 4.120 0.028 0.000 0.277 577 V C 0.992 177.074 176.094 -0.020 0.000 1.017 577 V CA -0.429 61.852 62.300 -0.032 0.000 0.820 577 V CB 0.961 32.815 31.823 0.052 0.000 1.028 577 V HN 0.897 nan 8.190 nan 0.000 0.436 578 L N 1.105 122.235 121.223 -0.155 0.000 2.081 578 L HA -0.153 4.204 4.340 0.028 0.000 0.212 578 L C 1.990 178.986 176.870 0.209 0.000 1.080 578 L CA 1.487 56.318 54.840 -0.015 0.000 0.754 578 L CB -0.402 41.536 42.059 -0.201 0.000 0.893 578 L HN 0.553 nan 8.230 nan 0.000 0.433 579 D N 0.287 120.741 120.400 0.091 0.000 2.311 579 D HA -0.117 4.540 4.640 0.028 0.000 0.212 579 D C 0.328 176.556 176.300 -0.119 0.000 0.972 579 D CA 1.015 55.065 54.000 0.083 0.000 0.887 579 D CB -0.136 40.706 40.800 0.071 0.000 0.915 579 D HN 0.425 nan 8.370 nan 0.000 0.497 580 D N 0.611 120.960 120.400 -0.085 0.000 2.483 580 D HA 0.021 4.678 4.640 0.028 0.000 0.220 580 D C 1.488 177.426 176.300 -0.603 0.000 1.173 580 D CA -0.012 53.868 54.000 -0.200 0.000 0.964 580 D CB 1.099 41.898 40.800 -0.001 0.000 1.046 580 D HN 0.043 nan 8.370 nan 0.000 0.517 581 S N 1.841 116.961 115.700 -0.967 0.000 2.426 581 S HA -0.281 4.206 4.470 0.028 0.000 0.220 581 S C 2.136 176.114 174.600 -1.038 0.000 1.040 581 S CA 1.484 58.809 58.200 -1.460 0.000 1.094 581 S CB -0.793 61.894 63.200 -0.855 0.000 1.072 581 S HN 0.474 nan 8.310 nan 0.000 0.415 582 S N 2.009 117.415 115.700 -0.490 0.000 2.448 582 S HA -0.232 4.255 4.470 0.028 0.000 0.247 582 S C 1.790 176.290 174.600 -0.166 0.000 1.033 582 S CA 1.552 59.598 58.200 -0.257 0.000 1.003 582 S CB -0.634 62.471 63.200 -0.158 0.000 0.786 582 S HN 0.486 nan 8.310 nan 0.000 0.495 583 R N 0.674 121.076 120.500 -0.164 0.000 2.193 583 R HA 0.303 4.659 4.340 0.028 0.000 0.213 583 R C 1.725 178.184 176.300 0.265 0.000 1.055 583 R CA 0.923 57.027 56.100 0.007 0.000 0.995 583 R CB -0.965 29.385 30.300 0.084 0.000 0.893 583 R HN 0.656 nan 8.270 nan 0.000 0.459 584 F N -0.086 120.003 119.950 0.232 0.000 2.087 584 F HA -0.406 4.138 4.527 0.028 0.000 0.299 584 F C 2.314 178.245 175.800 0.218 0.000 1.100 584 F CA 1.161 59.359 58.000 0.330 0.000 1.226 584 F CB -0.423 38.673 39.000 0.160 0.000 0.983 584 F HN 0.146 nan 8.300 nan 0.000 0.479 585 M N 1.632 121.404 119.600 0.286 0.000 2.113 585 M HA -0.344 4.153 4.480 0.028 0.000 0.255 585 M C 2.086 178.456 176.300 0.117 0.000 1.073 585 M CA 2.656 58.048 55.300 0.154 0.000 1.091 585 M CB -0.422 32.218 32.600 0.068 0.000 1.309 585 M HN 0.248 nan 8.290 nan 0.000 0.407 586 E N -0.747 119.475 120.200 0.037 0.000 2.038 586 E HA -0.261 4.106 4.350 0.028 0.000 0.195 586 E C 1.608 178.217 176.600 0.015 0.000 1.000 586 E CA 2.151 58.524 56.400 -0.045 0.000 0.803 586 E CB -1.400 28.184 29.700 -0.194 0.000 0.750 586 E HN 0.721 nan 8.360 nan 0.000 0.448 587 Y N 1.242 121.612 120.300 0.117 0.000 2.639 587 Y HA -0.056 4.510 4.550 0.028 0.000 0.289 587 Y C 0.786 176.743 175.900 0.094 0.000 1.155 587 Y CA 1.241 59.412 58.100 0.118 0.000 1.379 587 Y CB -0.115 38.434 38.460 0.149 0.000 0.967 587 Y HN 0.208 nan 8.280 nan 0.000 0.569 588 E N -0.722 119.609 120.200 0.218 0.000 2.989 588 E HA 0.129 4.496 4.350 0.028 0.000 0.207 588 E C 0.178 176.843 176.600 0.108 0.000 0.989 588 E CA -0.088 56.403 56.400 0.150 0.000 1.186 588 E CB 0.590 30.381 29.700 0.151 0.000 1.141 588 E HN 0.061 nan 8.360 nan 0.000 0.454 589 T N -0.641 113.968 114.554 0.092 0.000 2.905 589 T HA 0.191 4.558 4.350 0.028 0.000 0.283 589 T C -0.384 174.356 174.700 0.068 0.000 1.031 589 T CA -0.141 61.996 62.100 0.063 0.000 1.002 589 T CB 1.074 69.963 68.868 0.036 0.000 1.200 589 T HN 0.238 nan 8.240 nan 0.000 0.560 590 D N 0.131 120.557 120.400 0.042 0.000 2.723 590 D HA -0.132 4.525 4.640 0.028 0.000 0.236 590 D C -0.396 175.984 176.300 0.133 0.000 1.138 590 D CA 0.625 54.660 54.000 0.059 0.000 0.676 590 D CB -1.571 39.287 40.800 0.096 0.000 1.069 590 D HN 0.422 nan 8.370 nan 0.000 0.430 591 L N -0.768 120.520 121.223 0.108 0.000 2.472 591 L HA 0.606 4.963 4.340 0.028 0.000 0.256 591 L C 0.892 177.905 176.870 0.238 0.000 1.111 591 L CA -0.521 54.413 54.840 0.156 0.000 0.800 591 L CB 1.258 43.392 42.059 0.124 0.000 1.286 591 L HN 0.021 nan 8.230 nan 0.000 0.479 592 T N 0.747 115.441 114.554 0.233 0.000 2.906 592 T HA 0.269 4.636 4.350 0.028 0.000 0.302 592 T C -0.620 174.210 174.700 0.217 0.000 1.002 592 T CA -0.359 61.906 62.100 0.275 0.000 0.988 592 T CB 0.549 69.550 68.868 0.223 0.000 0.972 592 T HN 0.254 nan 8.240 nan 0.000 0.447 593 F N 4.131 124.150 119.950 0.115 0.000 2.572 593 F HA 0.267 4.810 4.527 0.028 0.000 0.370 593 F C 0.683 176.533 175.800 0.083 0.000 1.103 593 F CA 0.462 58.513 58.000 0.084 0.000 1.286 593 F CB 0.579 39.625 39.000 0.076 0.000 1.105 593 F HN 0.341 nan 8.300 nan 0.000 0.583 594 V N 4.239 123.642 119.914 -0.851 0.000 2.948 594 V HA 0.492 4.629 4.120 0.028 0.000 0.234 594 V C 0.896 176.487 176.094 -0.838 0.000 1.205 594 V CA 0.654 62.604 62.300 -0.583 0.000 1.234 594 V CB 0.268 31.913 31.823 -0.297 0.000 1.020 594 V HN 1.033 nan 8.190 nan 0.000 0.491 595 G N -0.805 107.334 108.800 -1.102 0.000 2.550 595 G HA2 0.566 4.542 3.960 0.028 0.000 0.293 595 G HA3 0.566 4.542 3.960 0.028 0.000 0.293 595 G C -2.174 172.372 174.900 -0.590 0.000 1.402 595 G CA -0.200 44.469 45.100 -0.718 0.000 0.784 595 G HN 0.018 nan 8.290 nan 0.000 0.482 596 V N -0.548 119.015 119.914 -0.585 0.000 2.962 596 V HA 0.836 4.973 4.120 0.028 0.000 0.313 596 V C -0.238 175.736 176.094 -0.199 0.000 1.099 596 V CA -0.730 61.314 62.300 -0.427 0.000 0.971 596 V CB 1.841 33.266 31.823 -0.663 0.000 1.028 596 V HN 1.479 nan 8.190 nan 0.000 0.430 597 V N -0.273 119.633 119.914 -0.013 0.000 2.686 597 V HA 1.022 5.159 4.120 0.028 0.000 0.306 597 V C -0.127 176.065 176.094 0.162 0.000 1.065 597 V CA -0.325 62.028 62.300 0.089 0.000 0.894 597 V CB 1.617 33.438 31.823 -0.003 0.000 1.004 597 V HN 1.106 nan 8.190 nan 0.000 0.424 598 G N 5.794 114.703 108.800 0.182 0.000 2.557 598 G HA2 0.682 4.659 3.960 0.028 0.000 0.310 598 G HA3 0.682 4.659 3.960 0.028 0.000 0.310 598 G C -0.646 174.247 174.900 -0.012 0.000 1.328 598 G CA -0.855 44.338 45.100 0.155 0.000 0.945 598 G HN 1.187 nan 8.290 nan 0.000 0.494 599 M N 1.456 121.059 119.600 0.005 0.000 2.811 599 M HA 0.901 5.398 4.480 0.028 0.000 0.303 599 M C -1.422 174.856 176.300 -0.036 0.000 1.227 599 M CA -1.229 54.048 55.300 -0.038 0.000 0.874 599 M CB 2.347 34.930 32.600 -0.028 0.000 1.681 599 M HN 0.362 nan 8.290 nan 0.000 0.500 600 L N 1.171 122.360 121.223 -0.057 0.000 2.410 600 L HA 0.537 4.894 4.340 0.028 0.000 0.270 600 L C -1.715 175.123 176.870 -0.053 0.000 0.983 600 L CA -0.046 54.763 54.840 -0.051 0.000 0.822 600 L CB 2.059 44.077 42.059 -0.068 0.000 1.285 600 L HN 0.807 nan 8.230 nan 0.000 0.409 601 D N 6.423 126.801 120.400 -0.036 0.000 2.485 601 D HA 0.392 5.049 4.640 0.028 0.000 0.221 601 D C -2.446 173.834 176.300 -0.034 0.000 1.112 601 D CA -2.014 51.967 54.000 -0.031 0.000 0.911 601 D CB 0.855 41.647 40.800 -0.014 0.000 1.019 601 D HN 0.292 nan 8.370 nan 0.000 0.516 602 P HA 0.134 nan 4.420 nan 0.000 0.264 602 P C -2.544 174.736 177.300 -0.033 0.000 1.193 602 P CA -1.092 61.984 63.100 -0.040 0.000 0.763 602 P CB -0.073 31.601 31.700 -0.044 0.000 0.810 603 P HA 0.098 nan 4.420 nan 0.000 0.269 603 P C 0.105 177.390 177.300 -0.024 0.000 1.209 603 P CA -0.075 63.001 63.100 -0.041 0.000 0.776 603 P CB 0.438 32.105 31.700 -0.055 0.000 0.876 604 R N 2.017 122.509 120.500 -0.013 0.000 2.522 604 R HA -0.019 4.338 4.340 0.028 0.000 0.284 604 R C 1.202 177.509 176.300 0.012 0.000 1.032 604 R CA 0.316 56.422 56.100 0.009 0.000 1.049 604 R CB 0.144 30.465 30.300 0.035 0.000 0.956 604 R HN 0.263 nan 8.270 nan 0.000 0.422 605 K N 2.427 122.833 120.400 0.011 0.000 2.228 605 K HA -0.214 4.123 4.320 0.028 0.000 0.205 605 K C 0.844 177.457 176.600 0.022 0.000 1.045 605 K CA 2.022 58.316 56.287 0.011 0.000 0.931 605 K CB 0.041 32.547 32.500 0.010 0.000 0.727 605 K HN 0.621 nan 8.250 nan 0.000 0.458 606 E N -0.403 119.819 120.200 0.037 0.000 2.452 606 E HA -0.026 4.341 4.350 0.028 0.000 0.197 606 E C 1.734 178.383 176.600 0.082 0.000 1.022 606 E CA 0.492 56.924 56.400 0.052 0.000 0.890 606 E CB 0.005 29.738 29.700 0.053 0.000 0.918 606 E HN 0.240 nan 8.360 nan 0.000 0.496 607 V N -0.990 118.976 119.914 0.085 0.000 2.358 607 V HA -0.200 3.937 4.120 0.028 0.000 0.246 607 V C 2.084 178.213 176.094 0.058 0.000 1.047 607 V CA 1.371 63.739 62.300 0.114 0.000 1.035 607 V CB -0.364 31.465 31.823 0.010 0.000 0.658 607 V HN 0.195 nan 8.190 nan 0.000 0.452 608 M N 1.873 121.483 119.600 0.017 0.000 2.144 608 M HA -0.089 4.408 4.480 0.028 0.000 0.260 608 M C 2.059 178.377 176.300 0.030 0.000 1.067 608 M CA 2.368 57.670 55.300 0.004 0.000 1.095 608 M CB -1.619 30.980 32.600 -0.002 0.000 1.365 608 M HN 0.552 nan 8.290 nan 0.000 0.406 609 G N -1.261 107.567 108.800 0.046 0.000 2.404 609 G HA2 -0.151 3.826 3.960 0.028 0.000 0.214 609 G HA3 -0.151 3.826 3.960 0.028 0.000 0.214 609 G C 1.528 176.472 174.900 0.074 0.000 1.189 609 G CA 0.976 46.106 45.100 0.050 0.000 0.789 609 G HN 0.538 nan 8.290 nan 0.000 0.533 610 S N 0.805 116.574 115.700 0.115 0.000 2.383 610 S HA -0.093 4.394 4.470 0.028 0.000 0.229 610 S C 2.289 177.007 174.600 0.197 0.000 1.030 610 S CA 0.817 59.109 58.200 0.152 0.000 1.002 610 S CB -0.173 63.156 63.200 0.215 0.000 0.829 610 S HN 0.226 nan 8.310 nan 0.000 0.467 611 I N 1.829 122.523 120.570 0.207 0.000 2.194 611 I HA -0.198 3.989 4.170 0.028 0.000 0.246 611 I C 2.642 178.817 176.117 0.096 0.000 1.093 611 I CA 1.493 62.883 61.300 0.150 0.000 1.355 611 I CB -1.427 36.586 38.000 0.023 0.000 1.046 611 I HN 0.327 nan 8.210 nan 0.000 0.413 612 Q N 1.265 121.107 119.800 0.071 0.000 2.020 612 Q HA -0.163 4.194 4.340 0.028 0.000 0.202 612 Q C 2.331 178.363 176.000 0.054 0.000 0.982 612 Q CA 1.592 57.426 55.803 0.052 0.000 0.838 612 Q CB -0.686 28.076 28.738 0.040 0.000 0.899 612 Q HN 0.479 nan 8.270 nan 0.000 0.423 613 L N -0.375 120.882 121.223 0.056 0.000 2.034 613 L HA -0.320 4.037 4.340 0.028 0.000 0.217 613 L C 2.267 179.164 176.870 0.045 0.000 1.077 613 L CA 1.785 56.652 54.840 0.044 0.000 0.769 613 L CB -0.416 41.666 42.059 0.038 0.000 0.890 613 L HN 0.445 nan 8.230 nan 0.000 0.435 614 C N -0.834 118.505 119.300 0.065 0.000 2.422 614 C HA -0.128 4.349 4.460 0.028 0.000 0.286 614 C C 2.708 177.733 174.990 0.057 0.000 1.412 614 C CA 0.506 59.563 59.018 0.065 0.000 1.786 614 C CB -1.304 26.501 27.740 0.107 0.000 1.835 614 C HN 0.457 nan 8.230 nan 0.000 0.533 615 R N 0.897 121.429 120.500 0.055 0.000 2.055 615 R HA -0.076 4.281 4.340 0.028 0.000 0.228 615 R C 1.858 178.179 176.300 0.035 0.000 1.143 615 R CA 1.501 57.629 56.100 0.046 0.000 0.945 615 R CB -0.382 29.945 30.300 0.043 0.000 0.841 615 R HN 0.522 nan 8.270 nan 0.000 0.429 616 D N 0.910 121.329 120.400 0.031 0.000 2.149 616 D HA -0.163 4.494 4.640 0.028 0.000 0.198 616 D C 1.564 177.878 176.300 0.023 0.000 0.990 616 D CA 1.494 55.509 54.000 0.025 0.000 0.839 616 D CB -0.169 40.645 40.800 0.023 0.000 0.948 616 D HN 0.280 nan 8.370 nan 0.000 0.460 617 A N 0.106 122.941 122.820 0.025 0.000 2.206 617 A HA 0.318 4.655 4.320 0.028 0.000 0.211 617 A C 1.841 179.438 177.584 0.022 0.000 1.158 617 A CA 1.144 53.194 52.037 0.021 0.000 0.761 617 A CB -0.394 18.617 19.000 0.018 0.000 0.801 617 A HN 0.281 nan 8.150 nan 0.000 0.473 618 G N -0.838 107.978 108.800 0.027 0.000 2.179 618 G HA2 -0.241 3.736 3.960 0.028 0.000 0.257 618 G HA3 -0.241 3.736 3.960 0.028 0.000 0.257 618 G C 0.042 174.962 174.900 0.032 0.000 1.010 618 G CA 0.451 45.567 45.100 0.027 0.000 0.736 618 G HN 0.505 nan 8.290 nan 0.000 0.513 619 I N 0.344 120.937 120.570 0.039 0.000 2.331 619 I HA 0.333 4.520 4.170 0.028 0.000 0.292 619 I C 0.974 177.130 176.117 0.065 0.000 0.998 619 I CA -0.779 60.548 61.300 0.046 0.000 1.267 619 I CB 1.255 39.280 38.000 0.042 0.000 1.386 619 I HN 0.044 nan 8.210 nan 0.000 0.476 620 R N 5.748 126.290 120.500 0.070 0.000 2.254 620 R HA 0.470 4.827 4.340 0.028 0.000 0.318 620 R C -1.245 175.116 176.300 0.101 0.000 1.031 620 R CA -0.352 55.798 56.100 0.084 0.000 0.905 620 R CB 1.558 31.909 30.300 0.086 0.000 1.050 620 R HN 0.457 nan 8.270 nan 0.000 0.456 621 V N 7.210 127.186 119.914 0.102 0.000 2.435 621 V HA 0.431 4.568 4.120 0.028 0.000 0.290 621 V C -0.369 175.761 176.094 0.059 0.000 1.030 621 V CA -0.662 61.709 62.300 0.118 0.000 0.881 621 V CB 1.565 33.490 31.823 0.169 0.000 0.983 621 V HN 0.672 nan 8.190 nan 0.000 0.445 622 I N 7.512 128.131 120.570 0.081 0.000 2.354 622 I HA 0.394 4.581 4.170 0.028 0.000 0.286 622 I C 0.074 176.216 176.117 0.042 0.000 1.007 622 I CA -0.218 61.126 61.300 0.072 0.000 1.167 622 I CB 1.566 39.670 38.000 0.174 0.000 1.320 622 I HN 0.526 nan 8.210 nan 0.000 0.458 623 M N 7.571 127.143 119.600 -0.046 0.000 2.146 623 M HA 0.468 4.965 4.480 0.028 0.000 0.357 623 M C -1.082 175.234 176.300 0.027 0.000 1.261 623 M CA -0.107 55.156 55.300 -0.062 0.000 1.106 623 M CB 0.791 33.294 32.600 -0.162 0.000 1.612 623 M HN 0.497 nan 8.290 nan 0.000 0.470 624 I N 4.217 124.814 120.570 0.046 0.000 2.362 624 I HA 0.311 4.498 4.170 0.028 0.000 0.289 624 I C 0.026 176.169 176.117 0.044 0.000 0.994 624 I CA -0.274 61.077 61.300 0.085 0.000 1.158 624 I CB 2.011 40.049 38.000 0.062 0.000 1.315 624 I HN 0.663 nan 8.210 nan 0.000 0.451 625 T N 2.852 117.440 114.554 0.057 0.000 2.831 625 T HA 0.581 4.948 4.350 0.028 0.000 0.287 625 T C 0.690 175.421 174.700 0.051 0.000 1.070 625 T CA -0.183 61.938 62.100 0.034 0.000 1.010 625 T CB 1.806 70.683 68.868 0.015 0.000 1.264 625 T HN 0.691 nan 8.240 nan 0.000 0.532 626 G N 0.149 108.974 108.800 0.041 0.000 2.944 626 G HA2 0.213 4.190 3.960 0.028 0.000 0.220 626 G HA3 0.213 4.190 3.960 0.028 0.000 0.220 626 G C 0.214 175.146 174.900 0.053 0.000 1.100 626 G CA -0.146 44.985 45.100 0.051 0.000 0.780 626 G HN 0.656 nan 8.290 nan 0.000 0.539 627 D N 1.453 121.878 120.400 0.042 0.000 2.354 627 D HA 0.026 4.683 4.640 0.028 0.000 0.238 627 D C 0.204 176.537 176.300 0.054 0.000 1.250 627 D CA 0.286 54.311 54.000 0.042 0.000 0.911 627 D CB 0.674 41.490 40.800 0.026 0.000 1.163 627 D HN 0.319 nan 8.370 nan 0.000 0.456 628 N N -0.126 118.607 118.700 0.056 0.000 2.529 628 N HA -0.003 4.754 4.740 0.028 0.000 0.278 628 N C 0.637 176.178 175.510 0.051 0.000 1.146 628 N CA -0.505 52.582 53.050 0.062 0.000 0.980 628 N CB 1.299 39.824 38.487 0.064 0.000 1.124 628 N HN 0.328 nan 8.380 nan 0.000 0.458 629 K N 1.488 121.921 120.400 0.055 0.000 2.108 629 K HA -0.297 4.040 4.320 0.028 0.000 0.219 629 K C 1.717 178.336 176.600 0.031 0.000 1.054 629 K CA 2.383 58.695 56.287 0.041 0.000 0.945 629 K CB -0.940 31.584 32.500 0.040 0.000 0.728 629 K HN 0.790 nan 8.250 nan 0.000 0.462 630 G N -0.660 108.161 108.800 0.035 0.000 2.476 630 G HA2 -0.284 3.693 3.960 0.028 0.000 0.218 630 G HA3 -0.284 3.693 3.960 0.028 0.000 0.218 630 G C 1.412 176.334 174.900 0.037 0.000 1.164 630 G CA 1.655 46.775 45.100 0.034 0.000 0.768 630 G HN 0.421 nan 8.290 nan 0.000 0.560 631 T N 1.165 115.743 114.554 0.039 0.000 2.978 631 T HA 0.271 4.638 4.350 0.028 0.000 0.262 631 T C 2.781 177.491 174.700 0.016 0.000 1.063 631 T CA 1.026 63.148 62.100 0.036 0.000 1.140 631 T CB -0.185 68.709 68.868 0.043 0.000 0.886 631 T HN 0.388 nan 8.240 nan 0.000 0.470 632 A N 1.963 124.790 122.820 0.013 0.000 1.851 632 A HA -0.085 4.252 4.320 0.028 0.000 0.216 632 A C 2.216 179.782 177.584 -0.031 0.000 1.195 632 A CA 1.430 53.459 52.037 -0.014 0.000 0.622 632 A CB -0.984 18.012 19.000 -0.006 0.000 0.831 632 A HN 0.491 nan 8.150 nan 0.000 0.444 633 I N -0.251 120.322 120.570 0.004 0.000 2.236 633 I HA -0.371 3.816 4.170 0.028 0.000 0.249 633 I C 2.932 179.074 176.117 0.043 0.000 1.102 633 I CA 1.176 62.505 61.300 0.048 0.000 1.365 633 I CB -0.385 37.669 38.000 0.091 0.000 1.051 633 I HN 0.426 nan 8.210 nan 0.000 0.420 634 A N 1.293 124.129 122.820 0.027 0.000 1.832 634 A HA -0.175 4.162 4.320 0.028 0.000 0.214 634 A C 2.253 179.833 177.584 -0.005 0.000 1.200 634 A CA 1.571 53.622 52.037 0.024 0.000 0.610 634 A CB -0.926 18.092 19.000 0.030 0.000 0.842 634 A HN 0.366 nan 8.150 nan 0.000 0.444 635 I N -0.406 120.149 120.570 -0.024 0.000 2.236 635 I HA -0.394 3.793 4.170 0.028 0.000 0.249 635 I C 2.535 178.597 176.117 -0.092 0.000 1.102 635 I CA 1.278 62.547 61.300 -0.052 0.000 1.365 635 I CB -0.662 37.302 38.000 -0.060 0.000 1.051 635 I HN 0.402 nan 8.210 nan 0.000 0.420 636 C N 0.513 119.738 119.300 -0.126 0.000 2.446 636 C HA -0.100 4.377 4.460 0.028 0.000 0.277 636 C C 2.982 177.892 174.990 -0.135 0.000 1.275 636 C CA 0.728 59.606 59.018 -0.234 0.000 1.727 636 C CB -1.040 26.425 27.740 -0.458 0.000 2.010 636 C HN 0.428 nan 8.230 nan 0.000 0.486 637 R N 0.392 120.887 120.500 -0.009 0.000 2.081 637 R HA -0.140 4.216 4.340 0.028 0.000 0.235 637 R C 2.380 178.685 176.300 0.008 0.000 1.131 637 R CA 1.552 57.687 56.100 0.059 0.000 0.960 637 R CB -0.386 29.960 30.300 0.076 0.000 0.856 637 R HN 0.528 nan 8.270 nan 0.000 0.436 638 R N 1.668 122.160 120.500 -0.014 0.000 2.080 638 R HA -0.149 4.208 4.340 0.028 0.000 0.236 638 R C 2.110 178.386 176.300 -0.039 0.000 1.137 638 R CA 2.091 58.177 56.100 -0.024 0.000 0.943 638 R CB -0.434 29.849 30.300 -0.028 0.000 0.846 638 R HN 0.394 nan 8.270 nan 0.000 0.431 639 I N -2.764 117.763 120.570 -0.071 0.000 3.444 639 I HA 0.337 4.524 4.170 0.028 0.000 0.287 639 I C 1.077 177.150 176.117 -0.073 0.000 1.302 639 I CA 0.786 62.035 61.300 -0.085 0.000 1.368 639 I CB 0.361 38.276 38.000 -0.140 0.000 1.048 639 I HN 0.481 nan 8.210 nan 0.000 0.487 640 G N 1.745 110.514 108.800 -0.051 0.000 2.232 640 G HA2 -0.283 3.694 3.960 0.028 0.000 0.226 640 G HA3 -0.283 3.694 3.960 0.028 0.000 0.226 640 G C 0.801 175.688 174.900 -0.021 0.000 0.996 640 G CA 0.279 45.367 45.100 -0.020 0.000 0.626 640 G HN 0.439 nan 8.290 nan 0.000 0.509 641 I N 0.133 120.639 120.570 -0.106 0.000 2.399 641 I HA 0.007 4.194 4.170 0.028 0.000 0.254 641 I C 1.176 177.283 176.117 -0.016 0.000 1.146 641 I CA 1.383 62.584 61.300 -0.165 0.000 1.412 641 I CB -0.165 37.597 38.000 -0.396 0.000 1.076 641 I HN 0.247 nan 8.210 nan 0.000 0.432 642 F N -0.789 119.139 119.950 -0.036 0.000 2.593 642 F HA 0.482 5.026 4.527 0.028 0.000 0.320 642 F C 0.960 176.743 175.800 -0.028 0.000 1.060 642 F CA -1.290 56.689 58.000 -0.035 0.000 0.940 642 F CB 1.421 40.394 39.000 -0.045 0.000 1.268 642 F HN -0.206 nan 8.300 nan 0.000 0.475 643 G N 0.396 109.297 108.800 0.168 0.000 2.664 643 G HA2 0.007 3.984 3.960 0.028 0.000 0.242 643 G HA3 0.007 3.984 3.960 0.028 0.000 0.242 643 G C 0.484 175.424 174.900 0.066 0.000 1.225 643 G CA -0.260 44.883 45.100 0.073 0.000 0.849 643 G HN 0.883 nan 8.290 nan 0.000 0.581 644 E N -0.346 119.877 120.200 0.038 0.000 2.409 644 E HA -0.110 4.256 4.350 0.028 0.000 0.198 644 E C 0.729 177.340 176.600 0.018 0.000 1.024 644 E CA 0.591 57.009 56.400 0.030 0.000 0.861 644 E CB 0.123 29.834 29.700 0.018 0.000 0.788 644 E HN 0.441 nan 8.360 nan 0.000 0.521 645 N N 0.496 119.198 118.700 0.004 0.000 2.527 645 N HA 0.029 4.786 4.740 0.028 0.000 0.279 645 N C -1.319 174.165 175.510 -0.043 0.000 1.571 645 N CA -0.036 53.005 53.050 -0.015 0.000 0.858 645 N CB 0.517 38.995 38.487 -0.014 0.000 1.422 645 N HN 0.066 nan 8.380 nan 0.000 0.491 646 E N 0.365 120.527 120.200 -0.065 0.000 2.345 646 E HA 0.139 4.506 4.350 0.028 0.000 0.259 646 E C -0.331 176.158 176.600 -0.185 0.000 1.117 646 E CA -0.375 55.948 56.400 -0.128 0.000 0.913 646 E CB 0.973 30.569 29.700 -0.175 0.000 1.057 646 E HN 0.136 nan 8.360 nan 0.000 0.432 647 E N 1.185 121.265 120.200 -0.201 0.000 2.259 647 E HA 0.085 4.452 4.350 0.028 0.000 0.281 647 E C 0.129 176.527 176.600 -0.336 0.000 1.037 647 E CA -0.013 56.263 56.400 -0.205 0.000 0.854 647 E CB 1.309 30.918 29.700 -0.153 0.000 1.051 647 E HN 0.353 nan 8.360 nan 0.000 0.409 648 V N -0.811 118.902 119.914 -0.335 0.000 3.261 648 V HA 0.342 4.479 4.120 0.028 0.000 0.330 648 V C 1.356 177.275 176.094 -0.292 0.000 1.461 648 V CA 0.293 62.316 62.300 -0.461 0.000 1.127 648 V CB 0.347 31.800 31.823 -0.616 0.000 1.044 648 V HN 0.518 nan 8.190 nan 0.000 0.499 649 A N 2.347 125.038 122.820 -0.216 0.000 1.948 649 A HA -0.221 4.116 4.320 0.028 0.000 0.220 649 A C 1.733 179.175 177.584 -0.236 0.000 1.177 649 A CA 2.512 54.443 52.037 -0.176 0.000 0.636 649 A CB -0.447 18.482 19.000 -0.118 0.000 0.815 649 A HN 0.866 nan 8.150 nan 0.000 0.449 650 D N -2.653 117.605 120.400 -0.237 0.000 2.440 650 D HA 0.141 4.798 4.640 0.028 0.000 0.216 650 D C 1.263 177.382 176.300 -0.300 0.000 1.150 650 D CA -0.087 53.764 54.000 -0.248 0.000 0.832 650 D CB -0.214 40.557 40.800 -0.049 0.000 0.992 650 D HN 0.409 nan 8.370 nan 0.000 0.502 651 R N -0.128 120.177 120.500 -0.325 0.000 2.308 651 R HA 0.484 4.841 4.340 0.028 0.000 0.202 651 R C 0.126 176.322 176.300 -0.173 0.000 0.898 651 R CA 0.365 56.365 56.100 -0.167 0.000 1.046 651 R CB 1.018 31.223 30.300 -0.159 0.000 1.026 651 R HN 0.131 nan 8.270 nan 0.000 0.512 652 A N 0.380 122.959 122.820 -0.403 0.000 2.359 652 A HA 0.629 4.966 4.320 0.028 0.000 0.303 652 A C -1.539 175.681 177.584 -0.606 0.000 1.066 652 A CA -0.533 51.285 52.037 -0.364 0.000 0.730 652 A CB 0.702 19.668 19.000 -0.057 0.000 1.211 652 A HN 0.107 nan 8.150 nan 0.000 0.439 653 Y N 0.464 120.608 120.300 -0.259 0.000 2.485 653 Y HA 0.607 5.173 4.550 0.028 0.000 0.345 653 Y C 1.161 177.098 175.900 0.063 0.000 0.998 653 Y CA -0.321 57.753 58.100 -0.044 0.000 1.059 653 Y CB 2.172 40.692 38.460 0.100 0.000 1.234 653 Y HN 0.778 nan 8.280 nan 0.000 0.461 654 T N -2.185 112.534 114.554 0.276 0.000 2.816 654 T HA 0.341 4.708 4.350 0.028 0.000 0.282 654 T C 1.341 176.227 174.700 0.309 0.000 0.993 654 T CA -0.109 62.139 62.100 0.247 0.000 0.994 654 T CB 1.226 70.201 68.868 0.178 0.000 1.025 654 T HN 0.830 nan 8.240 nan 0.000 0.529 655 G N 0.382 109.342 108.800 0.268 0.000 2.418 655 G HA2 -0.167 3.810 3.960 0.028 0.000 0.217 655 G HA3 -0.167 3.810 3.960 0.028 0.000 0.217 655 G C 1.737 176.850 174.900 0.356 0.000 1.158 655 G CA 0.078 45.366 45.100 0.314 0.000 0.771 655 G HN 0.600 nan 8.290 nan 0.000 0.545 656 R N 0.771 121.427 120.500 0.260 0.000 2.080 656 R HA -0.050 4.307 4.340 0.028 0.000 0.236 656 R C 2.548 178.971 176.300 0.205 0.000 1.137 656 R CA 1.660 57.884 56.100 0.208 0.000 0.943 656 R CB -0.830 29.559 30.300 0.148 0.000 0.846 656 R HN 0.560 nan 8.270 nan 0.000 0.431 657 E N -0.738 119.592 120.200 0.217 0.000 2.049 657 E HA -0.225 4.142 4.350 0.028 0.000 0.198 657 E C 1.811 178.529 176.600 0.195 0.000 1.007 657 E CA 1.498 58.026 56.400 0.213 0.000 0.809 657 E CB -0.382 29.490 29.700 0.286 0.000 0.749 657 E HN 0.255 nan 8.360 nan 0.000 0.450 658 F N 1.776 121.772 119.950 0.077 0.000 2.307 658 F HA -0.202 4.342 4.527 0.028 0.000 0.301 658 F C 1.453 177.235 175.800 -0.031 0.000 1.076 658 F CA 1.264 59.229 58.000 -0.058 0.000 1.383 658 F CB 0.172 39.123 39.000 -0.082 0.000 1.055 658 F HN -0.087 nan 8.300 nan 0.000 0.526 659 D N -0.060 120.445 120.400 0.175 0.000 2.213 659 D HA -0.076 4.581 4.640 0.028 0.000 0.205 659 D C 1.291 177.601 176.300 0.017 0.000 0.961 659 D CA 0.968 55.055 54.000 0.145 0.000 0.853 659 D CB -0.284 40.665 40.800 0.249 0.000 0.967 659 D HN 0.298 nan 8.370 nan 0.000 0.496 660 D N -0.238 120.171 120.400 0.014 0.000 2.338 660 D HA 0.062 4.719 4.640 0.028 0.000 0.239 660 D C -0.006 176.254 176.300 -0.067 0.000 1.095 660 D CA 0.182 54.178 54.000 -0.007 0.000 0.888 660 D CB 0.133 40.948 40.800 0.025 0.000 0.899 660 D HN 0.192 nan 8.370 nan 0.000 0.525 661 L N 2.224 123.350 121.223 -0.161 0.000 2.287 661 L HA 0.369 4.726 4.340 0.028 0.000 0.287 661 L C -2.127 174.602 176.870 -0.234 0.000 1.022 661 L CA -2.065 52.637 54.840 -0.230 0.000 0.814 661 L CB 1.596 43.416 42.059 -0.398 0.000 1.217 661 L HN -0.232 nan 8.230 nan 0.000 0.420 662 P HA 0.025 nan 4.420 nan 0.000 0.269 662 P C 0.851 178.054 177.300 -0.161 0.000 1.215 662 P CA -0.525 62.503 63.100 -0.121 0.000 0.780 662 P CB 1.212 32.863 31.700 -0.082 0.000 0.898 663 L N 2.529 123.690 121.223 -0.103 0.000 2.030 663 L HA -0.325 4.032 4.340 0.028 0.000 0.222 663 L C 2.817 179.586 176.870 -0.169 0.000 1.082 663 L CA 3.225 58.014 54.840 -0.085 0.000 0.785 663 L CB -2.135 39.927 42.059 0.005 0.000 0.895 663 L HN 0.504 nan 8.230 nan 0.000 0.439 664 A N -1.136 121.612 122.820 -0.120 0.000 1.873 664 A HA -0.293 4.044 4.320 0.028 0.000 0.218 664 A C 2.304 179.786 177.584 -0.171 0.000 1.193 664 A CA 2.124 54.091 52.037 -0.117 0.000 0.629 664 A CB -0.728 18.230 19.000 -0.069 0.000 0.826 664 A HN 0.529 nan 8.150 nan 0.000 0.447 665 E N -1.044 119.048 120.200 -0.179 0.000 2.204 665 E HA -0.198 4.169 4.350 0.028 0.000 0.195 665 E C 2.270 178.673 176.600 -0.328 0.000 0.990 665 E CA 1.055 57.335 56.400 -0.200 0.000 0.821 665 E CB -0.060 29.537 29.700 -0.172 0.000 0.750 665 E HN 0.758 nan 8.360 nan 0.000 0.477 666 Q N -0.023 119.492 119.800 -0.476 0.000 1.994 666 Q HA -0.134 4.223 4.340 0.028 0.000 0.198 666 Q C 2.253 177.813 176.000 -0.734 0.000 0.976 666 Q CA 1.125 56.486 55.803 -0.736 0.000 0.828 666 Q CB -0.022 28.210 28.738 -0.843 0.000 0.894 666 Q HN 0.081 nan 8.270 nan 0.000 0.432 667 R N 0.864 120.739 120.500 -1.042 0.000 2.097 667 R HA -0.241 4.115 4.340 0.028 0.000 0.236 667 R C 1.932 178.096 176.300 -0.227 0.000 1.135 667 R CA 1.995 57.539 56.100 -0.925 0.000 0.934 667 R CB -0.267 29.678 30.300 -0.592 0.000 0.846 667 R HN 0.084 nan 8.270 nan 0.000 0.431 668 E N -0.196 119.930 120.200 -0.124 0.000 2.394 668 E HA -0.173 4.194 4.350 0.028 0.000 0.202 668 E C 1.221 177.851 176.600 0.051 0.000 1.029 668 E CA 1.467 57.888 56.400 0.035 0.000 0.855 668 E CB -0.045 29.647 29.700 -0.013 0.000 0.770 668 E HN 0.537 nan 8.360 nan 0.000 0.527 669 A N -1.309 121.507 122.820 -0.007 0.000 2.115 669 A HA 0.040 4.377 4.320 0.028 0.000 0.211 669 A C 2.102 179.833 177.584 0.246 0.000 1.169 669 A CA 0.396 52.481 52.037 0.081 0.000 0.787 669 A CB -0.278 18.612 19.000 -0.183 0.000 0.858 669 A HN 0.420 nan 8.150 nan 0.000 0.474 670 C N 0.266 119.728 119.300 0.270 0.000 2.481 670 C HA 0.016 4.492 4.460 0.028 0.000 0.275 670 C C 2.475 177.674 174.990 0.349 0.000 1.419 670 C CA 0.852 60.102 59.018 0.387 0.000 1.773 670 C CB -1.246 26.736 27.740 0.402 0.000 1.862 670 C HN 0.747 nan 8.230 nan 0.000 0.530 671 R N 0.660 121.354 120.500 0.322 0.000 2.310 671 R HA 0.128 4.485 4.340 0.028 0.000 0.202 671 R C 1.799 178.149 176.300 0.083 0.000 0.933 671 R CA 0.591 56.790 56.100 0.165 0.000 1.054 671 R CB -0.227 29.992 30.300 -0.135 0.000 0.985 671 R HN 0.474 nan 8.270 nan 0.000 0.489 672 R N -0.012 120.570 120.500 0.137 0.000 2.576 672 R HA 0.291 4.648 4.340 0.028 0.000 0.237 672 R C -0.295 176.086 176.300 0.135 0.000 0.917 672 R CA 0.340 56.503 56.100 0.104 0.000 1.002 672 R CB 0.749 31.098 30.300 0.081 0.000 1.428 672 R HN 0.183 nan 8.270 nan 0.000 0.603 673 A N 0.307 123.239 122.820 0.186 0.000 2.498 673 A HA 0.191 4.528 4.320 0.028 0.000 0.239 673 A C 0.485 178.131 177.584 0.104 0.000 1.068 673 A CA -0.024 52.086 52.037 0.122 0.000 0.766 673 A CB 0.305 19.361 19.000 0.093 0.000 1.003 673 A HN 0.552 nan 8.150 nan 0.000 0.497 674 C N 0.473 119.810 119.300 0.062 0.000 3.785 674 C HA 0.401 4.877 4.460 0.028 0.000 0.312 674 C C 0.325 175.227 174.990 -0.148 0.000 1.566 674 C CA -0.170 58.864 59.018 0.028 0.000 1.837 674 C CB -1.178 26.644 27.740 0.136 0.000 2.826 674 C HN 0.934 nan 8.230 nan 0.000 0.667 675 C N 1.300 120.474 119.300 -0.211 0.000 2.716 675 C HA 0.720 5.197 4.460 0.028 0.000 0.366 675 C C -1.772 173.031 174.990 -0.312 0.000 1.073 675 C CA -0.512 58.376 59.018 -0.217 0.000 1.260 675 C CB -0.428 27.167 27.740 -0.242 0.000 1.755 675 C HN 0.421 nan 8.230 nan 0.000 0.475 676 F N 4.600 124.550 119.950 -0.001 0.000 2.477 676 F HA 0.698 5.242 4.527 0.028 0.000 0.335 676 F C 0.569 176.374 175.800 0.009 0.000 1.130 676 F CA -0.136 57.870 58.000 0.010 0.000 0.948 676 F CB 1.917 40.887 39.000 -0.051 0.000 1.154 676 F HN 0.874 nan 8.300 nan 0.000 0.439 677 A N 3.429 126.367 122.820 0.196 0.000 2.337 677 A HA 0.765 5.102 4.320 0.028 0.000 0.329 677 A C 0.035 177.710 177.584 0.151 0.000 1.146 677 A CA -0.871 51.247 52.037 0.135 0.000 0.800 677 A CB 0.762 19.817 19.000 0.090 0.000 1.220 677 A HN 0.793 nan 8.150 nan 0.000 0.472 678 R N -0.024 120.549 120.500 0.122 0.000 3.322 678 R HA -0.144 4.213 4.340 0.028 0.000 0.253 678 R C -0.068 176.324 176.300 0.154 0.000 0.987 678 R CA 0.802 56.974 56.100 0.120 0.000 0.666 678 R CB -2.846 27.524 30.300 0.117 0.000 1.072 678 R HN 0.986 nan 8.270 nan 0.000 0.447 679 V N 0.779 120.787 119.914 0.156 0.000 2.811 679 V HA 0.049 4.186 4.120 0.028 0.000 0.302 679 V C 1.300 177.520 176.094 0.211 0.000 1.063 679 V CA -0.031 62.401 62.300 0.221 0.000 1.088 679 V CB 0.981 32.854 31.823 0.083 0.000 0.982 679 V HN 0.317 nan 8.190 nan 0.000 0.485 680 E N 6.645 127.046 120.200 0.335 0.000 2.405 680 E HA 0.213 4.579 4.350 0.028 0.000 0.253 680 E C -1.651 174.806 176.600 -0.238 0.000 1.257 680 E CA -1.198 55.097 56.400 -0.175 0.000 0.960 680 E CB 0.255 29.607 29.700 -0.581 0.000 1.077 680 E HN 0.583 nan 8.360 nan 0.000 0.512 681 P HA -0.176 nan 4.420 nan 0.000 0.211 681 P C 1.408 178.605 177.300 -0.171 0.000 1.179 681 P CA 1.847 64.846 63.100 -0.168 0.000 0.910 681 P CB -0.125 31.481 31.700 -0.158 0.000 0.785 682 S N -0.976 114.596 115.700 -0.213 0.000 2.359 682 S HA -0.290 4.196 4.470 0.028 0.000 0.224 682 S C 1.831 176.379 174.600 -0.087 0.000 1.035 682 S CA 1.521 59.632 58.200 -0.147 0.000 1.018 682 S CB -2.137 60.981 63.200 -0.136 0.000 0.876 682 S HN 0.291 nan 8.310 nan 0.000 0.448 683 H N 1.753 120.755 119.070 -0.115 0.000 2.337 683 H HA -0.190 4.383 4.556 0.028 0.000 0.288 683 H C 2.373 177.534 175.328 -0.278 0.000 1.117 683 H CA 1.841 57.760 56.048 -0.214 0.000 1.205 683 H CB -0.166 29.413 29.762 -0.306 0.000 1.353 683 H HN 0.391 nan 8.280 nan 0.000 0.480 684 K N 0.179 120.522 120.400 -0.095 0.000 2.020 684 K HA -0.169 4.168 4.320 0.028 0.000 0.212 684 K C 2.606 179.132 176.600 -0.123 0.000 1.050 684 K CA 1.645 57.852 56.287 -0.133 0.000 0.929 684 K CB -0.173 32.271 32.500 -0.093 0.000 0.714 684 K HN 0.143 nan 8.250 nan 0.000 0.443 685 S N 0.811 116.449 115.700 -0.103 0.000 2.359 685 S HA -0.123 4.364 4.470 0.028 0.000 0.224 685 S C 1.748 176.258 174.600 -0.150 0.000 1.035 685 S CA 1.165 59.300 58.200 -0.108 0.000 1.018 685 S CB -0.060 63.083 63.200 -0.096 0.000 0.876 685 S HN 0.217 nan 8.310 nan 0.000 0.448 686 K N 1.189 121.500 120.400 -0.147 0.000 1.987 686 K HA -0.110 4.227 4.320 0.028 0.000 0.216 686 K C 2.028 178.441 176.600 -0.313 0.000 1.051 686 K CA 1.451 57.596 56.287 -0.237 0.000 0.942 686 K CB -1.044 31.460 32.500 0.007 0.000 0.722 686 K HN 0.395 nan 8.250 nan 0.000 0.444 687 I N 1.099 121.565 120.570 -0.173 0.000 2.113 687 I HA -0.329 3.858 4.170 0.028 0.000 0.242 687 I C 2.466 178.560 176.117 -0.038 0.000 1.064 687 I CA 1.313 62.563 61.300 -0.082 0.000 1.320 687 I CB -0.649 37.174 38.000 -0.295 0.000 1.028 687 I HN -0.096 nan 8.210 nan 0.000 0.406 688 V N 0.697 120.560 119.914 -0.086 0.000 2.252 688 V HA -0.359 3.778 4.120 0.028 0.000 0.249 688 V C 2.527 178.584 176.094 -0.062 0.000 1.056 688 V CA 2.401 64.671 62.300 -0.050 0.000 1.022 688 V CB -0.775 31.011 31.823 -0.061 0.000 0.641 688 V HN 0.505 nan 8.190 nan 0.000 0.445 689 E N -0.846 119.265 120.200 -0.149 0.000 2.065 689 E HA -0.276 4.091 4.350 0.028 0.000 0.201 689 E C 2.231 178.746 176.600 -0.142 0.000 1.016 689 E CA 2.181 58.465 56.400 -0.193 0.000 0.818 689 E CB -0.232 29.269 29.700 -0.332 0.000 0.749 689 E HN 0.684 nan 8.360 nan 0.000 0.453 690 Y N 0.147 120.419 120.300 -0.045 0.000 2.114 690 Y HA -0.209 4.358 4.550 0.028 0.000 0.284 690 Y C 2.300 178.127 175.900 -0.122 0.000 1.143 690 Y CA 0.672 58.713 58.100 -0.099 0.000 1.135 690 Y CB -0.745 37.714 38.460 -0.001 0.000 0.980 690 Y HN 0.148 nan 8.280 nan 0.000 0.499 691 L N 0.286 121.619 121.223 0.183 0.000 2.089 691 L HA -0.288 4.069 4.340 0.028 0.000 0.213 691 L C 2.125 179.078 176.870 0.139 0.000 1.079 691 L CA 1.837 56.799 54.840 0.203 0.000 0.758 691 L CB -1.492 40.666 42.059 0.165 0.000 0.891 691 L HN 0.424 nan 8.230 nan 0.000 0.433 692 Q N -1.034 118.796 119.800 0.050 0.000 2.230 692 Q HA -0.089 4.268 4.340 0.028 0.000 0.202 692 Q C 1.814 177.811 176.000 -0.004 0.000 0.963 692 Q CA 1.206 57.026 55.803 0.027 0.000 0.866 692 Q CB -0.051 28.684 28.738 -0.005 0.000 0.931 692 Q HN 0.604 nan 8.270 nan 0.000 0.452 693 S N -0.883 114.752 115.700 -0.109 0.000 2.881 693 S HA -0.038 4.449 4.470 0.028 0.000 0.228 693 S C 0.402 174.876 174.600 -0.211 0.000 0.965 693 S CA 0.108 58.194 58.200 -0.190 0.000 0.998 693 S CB -0.263 62.765 63.200 -0.288 0.000 0.795 693 S HN 0.408 nan 8.310 nan 0.000 0.518 694 Y N 0.255 120.592 120.300 0.061 0.000 2.830 694 Y HA 0.184 4.751 4.550 0.028 0.000 0.255 694 Y C -0.441 175.481 175.900 0.037 0.000 1.130 694 Y CA -1.093 57.036 58.100 0.050 0.000 1.217 694 Y CB 0.296 38.792 38.460 0.060 0.000 1.296 694 Y HN 0.301 nan 8.280 nan 0.000 0.571 695 D N 1.351 121.847 120.400 0.160 0.000 2.701 695 D HA -0.217 4.440 4.640 0.028 0.000 0.235 695 D C -0.421 175.933 176.300 0.091 0.000 1.155 695 D CA 1.058 55.116 54.000 0.096 0.000 0.649 695 D CB -0.714 40.133 40.800 0.077 0.000 1.050 695 D HN 0.502 nan 8.370 nan 0.000 0.425 696 E N -0.094 120.171 120.200 0.109 0.000 2.156 696 E HA 0.349 4.715 4.350 0.028 0.000 0.279 696 E C -0.086 176.548 176.600 0.056 0.000 0.965 696 E CA -1.065 55.390 56.400 0.090 0.000 0.789 696 E CB 0.936 30.715 29.700 0.131 0.000 1.098 696 E HN 0.060 nan 8.360 nan 0.000 0.397 697 I N 3.956 124.545 120.570 0.033 0.000 2.460 697 I HA -0.009 4.177 4.170 0.028 0.000 0.297 697 I C 0.018 176.148 176.117 0.021 0.000 1.139 697 I CA 0.326 61.634 61.300 0.013 0.000 1.340 697 I CB -0.228 37.766 38.000 -0.009 0.000 1.444 697 I HN 0.312 nan 8.210 nan 0.000 0.557 698 T N 4.576 119.145 114.554 0.024 0.000 2.799 698 T HA 0.774 5.140 4.350 0.028 0.000 0.286 698 T C 0.127 174.836 174.700 0.016 0.000 0.973 698 T CA -0.848 61.271 62.100 0.031 0.000 1.035 698 T CB 1.472 70.363 68.868 0.040 0.000 0.932 698 T HN 0.574 nan 8.240 nan 0.000 0.469 699 A N 3.562 126.395 122.820 0.021 0.000 2.292 699 A HA 0.775 5.112 4.320 0.028 0.000 0.319 699 A C -0.375 177.223 177.584 0.022 0.000 1.206 699 A CA -0.831 51.212 52.037 0.011 0.000 0.835 699 A CB 0.775 19.777 19.000 0.003 0.000 1.164 699 A HN 0.797 nan 8.150 nan 0.000 0.505 700 M N 2.198 121.805 119.600 0.011 0.000 2.395 700 M HA 0.520 5.016 4.480 0.028 0.000 0.307 700 M C -0.292 176.017 176.300 0.014 0.000 1.091 700 M CA 0.040 55.348 55.300 0.013 0.000 0.919 700 M CB 2.073 34.670 32.600 -0.005 0.000 1.662 700 M HN 0.626 nan 8.290 nan 0.000 0.440 701 T N 3.049 117.619 114.554 0.027 0.000 2.902 701 T HA 0.953 5.319 4.350 0.028 0.000 0.283 701 T C -0.334 174.376 174.700 0.016 0.000 1.009 701 T CA 0.397 62.516 62.100 0.030 0.000 1.051 701 T CB 0.792 69.698 68.868 0.063 0.000 0.999 701 T HN 1.031 nan 8.240 nan 0.000 0.474 702 G N 2.541 111.349 108.800 0.012 0.000 2.320 702 G HA2 0.502 4.479 3.960 0.028 0.000 0.296 702 G HA3 0.502 4.479 3.960 0.028 0.000 0.296 702 G C -2.216 172.686 174.900 0.003 0.000 1.306 702 G CA -0.221 44.880 45.100 0.003 0.000 0.836 702 G HN 0.905 nan 8.290 nan 0.000 0.517 703 D N -1.534 118.864 120.400 -0.003 0.000 2.683 703 D HA 0.596 5.253 4.640 0.028 0.000 0.246 703 D C 0.128 176.422 176.300 -0.010 0.000 1.238 703 D CA 0.628 54.628 54.000 0.001 0.000 0.759 703 D CB 1.295 42.099 40.800 0.008 0.000 1.349 703 D HN 2.344 nan 8.370 nan 0.000 0.426 704 G N -0.496 108.301 108.800 -0.006 0.000 2.721 704 G HA2 -0.002 3.975 3.960 0.028 0.000 0.686 704 G HA3 -0.002 3.975 3.960 0.028 0.000 0.686 704 G C 1.018 175.892 174.900 -0.042 0.000 1.236 704 G CA 0.179 45.261 45.100 -0.031 0.000 0.786 704 G HN 1.381 nan 8.290 nan 0.000 0.616 705 V N 0.322 120.193 119.914 -0.071 0.000 2.317 705 V HA -0.320 3.817 4.120 0.028 0.000 0.251 705 V C 2.312 178.362 176.094 -0.074 0.000 1.065 705 V CA 2.833 65.094 62.300 -0.065 0.000 1.049 705 V CB -1.295 30.462 31.823 -0.110 0.000 0.651 705 V HN 0.876 nan 8.190 nan 0.000 0.450 706 N N 1.029 119.672 118.700 -0.096 0.000 2.103 706 N HA -0.274 4.483 4.740 0.028 0.000 0.200 706 N C 1.262 176.726 175.510 -0.076 0.000 1.016 706 N CA 2.188 55.179 53.050 -0.098 0.000 0.890 706 N CB -0.362 38.071 38.487 -0.091 0.000 1.075 706 N HN 0.621 nan 8.380 nan 0.000 0.506 707 D N -0.217 120.148 120.400 -0.058 0.000 2.319 707 D HA 0.107 4.764 4.640 0.028 0.000 0.230 707 D C 1.266 177.544 176.300 -0.038 0.000 1.094 707 D CA 0.010 53.982 54.000 -0.047 0.000 0.856 707 D CB 0.059 40.838 40.800 -0.035 0.000 0.915 707 D HN 0.328 nan 8.370 nan 0.000 0.517 708 A N 1.967 124.765 122.820 -0.036 0.000 1.873 708 A HA -0.078 4.259 4.320 0.028 0.000 0.215 708 A C -0.167 177.399 177.584 -0.031 0.000 1.186 708 A CA 1.020 53.042 52.037 -0.025 0.000 0.616 708 A CB -1.272 17.718 19.000 -0.016 0.000 0.823 708 A HN 0.146 nan 8.150 nan 0.000 0.442 709 P HA -0.196 nan 4.420 nan 0.000 0.214 709 P C 1.790 179.063 177.300 -0.045 0.000 1.163 709 P CA 2.256 65.330 63.100 -0.044 0.000 0.889 709 P CB -0.161 31.507 31.700 -0.053 0.000 0.790 710 A N -0.911 121.879 122.820 -0.050 0.000 1.933 710 A HA -0.166 4.171 4.320 0.028 0.000 0.218 710 A C 2.240 179.801 177.584 -0.038 0.000 1.175 710 A CA 1.469 53.476 52.037 -0.050 0.000 0.628 710 A CB -1.670 17.297 19.000 -0.056 0.000 0.814 710 A HN 0.111 nan 8.150 nan 0.000 0.444 711 L N -0.801 120.403 121.223 -0.031 0.000 2.093 711 L HA -0.191 4.165 4.340 0.028 0.000 0.208 711 L C 2.590 179.445 176.870 -0.024 0.000 1.085 711 L CA 1.902 56.728 54.840 -0.023 0.000 0.755 711 L CB -0.444 41.605 42.059 -0.018 0.000 0.904 711 L HN 0.493 nan 8.230 nan 0.000 0.435 712 K N 0.869 121.253 120.400 -0.026 0.000 1.985 712 K HA -0.247 4.090 4.320 0.028 0.000 0.210 712 K C 2.227 178.810 176.600 -0.028 0.000 1.047 712 K CA 1.626 57.898 56.287 -0.026 0.000 0.932 712 K CB -0.059 32.425 32.500 -0.026 0.000 0.716 712 K HN 0.009 nan 8.250 nan 0.000 0.439 713 K N 0.506 120.886 120.400 -0.034 0.000 2.000 713 K HA -0.134 4.203 4.320 0.028 0.000 0.218 713 K C 0.288 176.869 176.600 -0.032 0.000 1.053 713 K CA 1.262 57.526 56.287 -0.037 0.000 0.946 713 K CB -0.535 31.936 32.500 -0.049 0.000 0.723 713 K HN 0.334 nan 8.250 nan 0.000 0.446 714 A N 1.439 124.241 122.820 -0.030 0.000 2.587 714 A HA -0.100 4.237 4.320 0.028 0.000 0.233 714 A C 0.733 178.306 177.584 -0.019 0.000 1.049 714 A CA 0.237 52.261 52.037 -0.022 0.000 0.754 714 A CB 0.156 19.145 19.000 -0.018 0.000 0.977 714 A HN 0.486 nan 8.150 nan 0.000 0.509 715 E N 0.417 120.608 120.200 -0.014 0.000 2.070 715 E HA -0.141 4.226 4.350 0.028 0.000 0.197 715 E C -0.189 176.399 176.600 -0.020 0.000 1.004 715 E CA 1.652 58.042 56.400 -0.017 0.000 0.805 715 E CB -0.157 29.534 29.700 -0.015 0.000 0.744 715 E HN 0.598 nan 8.360 nan 0.000 0.451 716 I N 0.067 120.627 120.570 -0.018 0.000 2.466 716 I HA 0.313 4.500 4.170 0.028 0.000 0.279 716 I C 0.250 176.358 176.117 -0.016 0.000 1.033 716 I CA -0.400 60.888 61.300 -0.020 0.000 1.123 716 I CB 1.634 39.619 38.000 -0.024 0.000 1.237 716 I HN -0.083 nan 8.210 nan 0.000 0.460 717 G N 6.407 115.197 108.800 -0.017 0.000 2.476 717 G HA2 0.719 4.696 3.960 0.028 0.000 0.269 717 G HA3 0.719 4.696 3.960 0.028 0.000 0.269 717 G C -0.371 174.522 174.900 -0.012 0.000 1.195 717 G CA -0.316 44.776 45.100 -0.014 0.000 0.843 717 G HN 0.496 nan 8.290 nan 0.000 0.545 718 I N 1.587 122.153 120.570 -0.007 0.000 2.517 718 I HA 0.354 4.541 4.170 0.028 0.000 0.280 718 I C 0.516 176.634 176.117 0.001 0.000 1.061 718 I CA -0.684 60.612 61.300 -0.006 0.000 1.091 718 I CB 1.534 39.531 38.000 -0.005 0.000 1.205 718 I HN 0.594 nan 8.210 nan 0.000 0.459 719 A N 7.281 130.101 122.820 -0.001 0.000 2.287 719 A HA 0.809 5.146 4.320 0.028 0.000 0.273 719 A C 0.047 177.636 177.584 0.008 0.000 1.091 719 A CA -0.375 51.665 52.037 0.004 0.000 0.817 719 A CB 0.618 19.620 19.000 0.003 0.000 1.069 719 A HN 0.593 nan 8.150 nan 0.000 0.492 720 M N 0.674 120.281 119.600 0.013 0.000 2.444 720 M HA 0.299 4.796 4.480 0.028 0.000 0.319 720 M C 1.582 177.891 176.300 0.014 0.000 1.183 720 M CA -0.258 55.051 55.300 0.016 0.000 1.032 720 M CB 0.503 33.115 32.600 0.021 0.000 1.569 720 M HN 0.851 nan 8.290 nan 0.000 0.468 721 G N 0.613 109.422 108.800 0.014 0.000 2.442 721 G HA2 -0.170 3.807 3.960 0.028 0.000 0.219 721 G HA3 -0.170 3.807 3.960 0.028 0.000 0.219 721 G C 1.240 176.148 174.900 0.013 0.000 1.141 721 G CA 1.277 46.384 45.100 0.012 0.000 0.763 721 G HN 0.750 nan 8.290 nan 0.000 0.554 722 S N 0.136 115.845 115.700 0.016 0.000 2.593 722 S HA 0.384 4.871 4.470 0.028 0.000 0.217 722 S C 1.354 175.966 174.600 0.020 0.000 0.966 722 S CA 0.222 58.432 58.200 0.018 0.000 0.914 722 S CB 0.152 63.363 63.200 0.019 0.000 0.776 722 S HN 0.475 nan 8.310 nan 0.000 0.523 723 G N 2.032 110.844 108.800 0.020 0.000 2.651 723 G HA2 0.412 4.389 3.960 0.028 0.000 0.260 723 G HA3 0.412 4.389 3.960 0.028 0.000 0.260 723 G C 0.215 175.136 174.900 0.035 0.000 1.216 723 G CA -0.064 45.050 45.100 0.024 0.000 0.913 723 G HN 0.482 nan 8.290 nan 0.000 0.535 724 T N -2.484 112.099 114.554 0.049 0.000 2.855 724 T HA 0.366 4.732 4.350 0.028 0.000 0.314 724 T C 1.694 176.434 174.700 0.067 0.000 1.077 724 T CA 0.464 62.616 62.100 0.086 0.000 1.095 724 T CB 1.161 70.106 68.868 0.127 0.000 0.987 724 T HN 0.940 nan 8.240 nan 0.000 0.546 725 A N 1.778 124.637 122.820 0.066 0.000 1.898 725 A HA 0.034 4.371 4.320 0.028 0.000 0.216 725 A C 2.455 180.058 177.584 0.030 0.000 1.181 725 A CA 1.634 53.683 52.037 0.020 0.000 0.620 725 A CB -1.188 17.796 19.000 -0.027 0.000 0.819 725 A HN 0.850 nan 8.150 nan 0.000 0.442 726 V N -0.088 119.874 119.914 0.080 0.000 2.343 726 V HA -0.247 3.889 4.120 0.028 0.000 0.247 726 V C 2.949 179.070 176.094 0.045 0.000 1.051 726 V CA 1.907 64.254 62.300 0.078 0.000 1.036 726 V CB -1.538 30.383 31.823 0.164 0.000 0.654 726 V HN 0.573 nan 8.190 nan 0.000 0.451 727 A N -0.238 122.610 122.820 0.046 0.000 2.019 727 A HA -0.192 4.144 4.320 0.028 0.000 0.219 727 A C 2.338 179.928 177.584 0.011 0.000 1.164 727 A CA 1.860 53.909 52.037 0.021 0.000 0.644 727 A CB -0.371 18.640 19.000 0.019 0.000 0.805 727 A HN 0.582 nan 8.150 nan 0.000 0.449 728 K N -0.727 119.680 120.400 0.012 0.000 2.076 728 K HA -0.069 4.267 4.320 0.028 0.000 0.204 728 K C 2.188 178.783 176.600 -0.007 0.000 1.051 728 K CA 1.565 57.852 56.287 0.001 0.000 0.949 728 K CB -0.322 32.179 32.500 0.000 0.000 0.726 728 K HN 0.654 nan 8.250 nan 0.000 0.443 729 T N -1.102 113.448 114.554 -0.007 0.000 3.007 729 T HA 0.001 4.368 4.350 0.028 0.000 0.270 729 T C 1.850 176.541 174.700 -0.015 0.000 1.107 729 T CA 0.960 63.050 62.100 -0.016 0.000 1.118 729 T CB -0.020 68.838 68.868 -0.018 0.000 0.889 729 T HN 0.133 nan 8.240 nan 0.000 0.506 730 A N 1.575 124.390 122.820 -0.009 0.000 2.044 730 A HA 0.382 4.719 4.320 0.028 0.000 0.213 730 A C 1.717 179.292 177.584 -0.015 0.000 1.169 730 A CA 0.423 52.453 52.037 -0.012 0.000 0.724 730 A CB -0.351 18.644 19.000 -0.008 0.000 0.840 730 A HN 0.688 nan 8.150 nan 0.000 0.463 731 S N -0.568 115.124 115.700 -0.013 0.000 2.645 731 S HA 0.386 4.873 4.470 0.028 0.000 0.266 731 S C 0.326 174.915 174.600 -0.018 0.000 1.258 731 S CA -0.020 58.172 58.200 -0.014 0.000 0.990 731 S CB 1.158 64.352 63.200 -0.011 0.000 0.967 731 S HN 0.216 nan 8.310 nan 0.000 0.556 732 E N -0.191 119.998 120.200 -0.019 0.000 2.364 732 E HA 0.321 4.688 4.350 0.028 0.000 0.196 732 E C 0.158 176.747 176.600 -0.020 0.000 0.990 732 E CA 0.367 56.755 56.400 -0.020 0.000 0.886 732 E CB 0.272 29.958 29.700 -0.022 0.000 0.866 732 E HN 0.663 nan 8.360 nan 0.000 0.493 733 M N 0.629 120.217 119.600 -0.019 0.000 2.378 733 M HA 0.347 4.844 4.480 0.028 0.000 0.289 733 M C -1.766 174.524 176.300 -0.015 0.000 1.136 733 M CA -0.762 54.527 55.300 -0.019 0.000 0.917 733 M CB 1.860 34.445 32.600 -0.025 0.000 1.669 733 M HN -0.303 nan 8.290 nan 0.000 0.461 734 V N 5.525 125.431 119.914 -0.013 0.000 2.417 734 V HA 0.407 4.544 4.120 0.028 0.000 0.291 734 V C -0.174 175.915 176.094 -0.008 0.000 1.024 734 V CA -0.684 61.611 62.300 -0.008 0.000 0.861 734 V CB 1.783 33.602 31.823 -0.006 0.000 0.985 734 V HN 0.776 nan 8.190 nan 0.000 0.436 735 L N 4.744 125.964 121.223 -0.005 0.000 2.363 735 L HA 0.266 4.623 4.340 0.028 0.000 0.286 735 L C 1.739 178.610 176.870 0.002 0.000 1.106 735 L CA -0.130 54.708 54.840 -0.004 0.000 0.859 735 L CB 0.876 42.936 42.059 0.001 0.000 1.223 735 L HN 0.882 nan 8.230 nan 0.000 0.446 736 A N 3.281 126.101 122.820 0.000 0.000 1.958 736 A HA -0.220 4.117 4.320 0.028 0.000 0.221 736 A C 1.392 178.982 177.584 0.009 0.000 1.178 736 A CA 2.184 54.223 52.037 0.004 0.000 0.642 736 A CB -0.290 18.711 19.000 0.002 0.000 0.816 736 A HN 0.873 nan 8.150 nan 0.000 0.453 737 D N -1.211 119.195 120.400 0.011 0.000 2.538 737 D HA 0.064 4.721 4.640 0.028 0.000 0.231 737 D C -0.408 175.907 176.300 0.025 0.000 1.229 737 D CA 0.458 54.468 54.000 0.018 0.000 0.828 737 D CB -0.702 40.110 40.800 0.019 0.000 1.035 737 D HN 0.524 nan 8.370 nan 0.000 0.495 738 D N -0.159 120.255 120.400 0.024 0.000 2.782 738 D HA -0.263 4.394 4.640 0.028 0.000 0.231 738 D C -0.233 176.098 176.300 0.052 0.000 1.163 738 D CA 0.523 54.544 54.000 0.034 0.000 0.680 738 D CB -2.119 38.701 40.800 0.033 0.000 1.062 738 D HN 0.324 nan 8.370 nan 0.000 0.425 739 N N -0.248 118.482 118.700 0.050 0.000 2.456 739 N HA 0.218 4.975 4.740 0.028 0.000 0.288 739 N C 0.415 175.990 175.510 0.108 0.000 1.059 739 N CA -0.664 52.433 53.050 0.079 0.000 0.946 739 N CB 0.933 39.454 38.487 0.057 0.000 1.150 739 N HN -0.018 nan 8.380 nan 0.000 0.479 740 F N 3.453 123.403 119.950 0.000 0.000 2.046 740 F HA -0.211 4.333 4.527 0.028 0.000 0.297 740 F C 2.159 177.959 175.800 -0.000 0.000 1.123 740 F CA 1.812 59.812 58.000 -0.001 0.000 1.199 740 F CB -0.532 38.465 39.000 -0.004 0.000 0.972 740 F HN 0.548 nan 8.300 nan 0.000 0.474 741 S N -0.462 115.305 115.700 0.111 0.000 2.399 741 S HA -0.364 4.123 4.470 0.028 0.000 0.235 741 S C 2.062 176.586 174.600 -0.127 0.000 1.063 741 S CA 2.189 60.381 58.200 -0.014 0.000 1.070 741 S CB -1.386 61.854 63.200 0.067 0.000 0.904 741 S HN 0.731 nan 8.310 nan 0.000 0.456 742 T N -0.042 114.459 114.554 -0.089 0.000 3.098 742 T HA 0.146 4.513 4.350 0.028 0.000 0.266 742 T C 1.451 176.068 174.700 -0.139 0.000 1.145 742 T CA 0.503 62.551 62.100 -0.087 0.000 1.092 742 T CB -0.502 68.341 68.868 -0.042 0.000 0.908 742 T HN 0.400 nan 8.240 nan 0.000 0.526 743 I N 0.331 120.750 120.570 -0.251 0.000 2.400 743 I HA -0.027 4.160 4.170 0.028 0.000 0.248 743 I C 2.530 178.486 176.117 -0.267 0.000 1.109 743 I CA 0.568 61.707 61.300 -0.268 0.000 1.425 743 I CB -0.067 37.704 38.000 -0.382 0.000 1.094 743 I HN 0.144 nan 8.210 nan 0.000 0.425 744 V N 1.217 120.914 119.914 -0.362 0.000 2.343 744 V HA -0.267 3.870 4.120 0.028 0.000 0.247 744 V C 2.709 178.727 176.094 -0.127 0.000 1.051 744 V CA 1.860 64.019 62.300 -0.236 0.000 1.036 744 V CB -1.127 30.565 31.823 -0.218 0.000 0.654 744 V HN 0.453 nan 8.190 nan 0.000 0.451 745 A N 0.518 123.271 122.820 -0.110 0.000 1.851 745 A HA -0.184 4.152 4.320 0.028 0.000 0.216 745 A C 2.475 180.025 177.584 -0.056 0.000 1.195 745 A CA 2.408 54.407 52.037 -0.063 0.000 0.622 745 A CB -1.110 17.860 19.000 -0.049 0.000 0.831 745 A HN 0.600 nan 8.150 nan 0.000 0.444 746 A N -0.786 121.995 122.820 -0.066 0.000 1.986 746 A HA -0.032 4.305 4.320 0.028 0.000 0.220 746 A C 2.215 179.768 177.584 -0.051 0.000 1.171 746 A CA 1.938 53.944 52.037 -0.053 0.000 0.640 746 A CB -0.925 18.040 19.000 -0.058 0.000 0.811 746 A HN 0.439 nan 8.150 nan 0.000 0.451 747 V N -0.224 119.650 119.914 -0.067 0.000 2.307 747 V HA -0.259 3.878 4.120 0.028 0.000 0.245 747 V C 2.507 178.579 176.094 -0.036 0.000 1.045 747 V CA 2.244 64.511 62.300 -0.055 0.000 1.024 747 V CB -0.672 31.112 31.823 -0.065 0.000 0.651 747 V HN 0.779 nan 8.190 nan 0.000 0.449 748 E N 0.117 120.297 120.200 -0.033 0.000 2.031 748 E HA -0.304 4.063 4.350 0.028 0.000 0.193 748 E C 2.172 178.766 176.600 -0.009 0.000 0.994 748 E CA 1.747 58.138 56.400 -0.016 0.000 0.800 748 E CB -0.037 29.654 29.700 -0.014 0.000 0.752 748 E HN 0.626 nan 8.360 nan 0.000 0.447 749 E N -0.067 120.125 120.200 -0.014 0.000 2.026 749 E HA -0.176 4.190 4.350 0.028 0.000 0.206 749 E C 1.924 178.522 176.600 -0.002 0.000 1.028 749 E CA 1.971 58.367 56.400 -0.007 0.000 0.845 749 E CB -0.910 28.783 29.700 -0.012 0.000 0.772 749 E HN 0.355 nan 8.360 nan 0.000 0.462 750 G N -0.110 108.685 108.800 -0.009 0.000 2.537 750 G HA2 -0.329 3.648 3.960 0.028 0.000 0.220 750 G HA3 -0.329 3.648 3.960 0.028 0.000 0.220 750 G C 1.600 176.505 174.900 0.008 0.000 1.111 750 G CA 0.838 45.935 45.100 -0.005 0.000 0.748 750 G HN 0.226 nan 8.290 nan 0.000 0.564 751 R N -0.173 120.332 120.500 0.009 0.000 2.276 751 R HA 0.339 4.696 4.340 0.028 0.000 0.196 751 R C 2.434 178.766 176.300 0.053 0.000 0.961 751 R CA 0.891 57.006 56.100 0.025 0.000 1.024 751 R CB -0.024 30.282 30.300 0.010 0.000 0.940 751 R HN 0.259 nan 8.270 nan 0.000 0.480 752 A N 0.669 123.512 122.820 0.038 0.000 1.956 752 A HA 0.085 4.422 4.320 0.028 0.000 0.212 752 A C 1.739 179.344 177.584 0.034 0.000 1.188 752 A CA 0.109 52.165 52.037 0.032 0.000 0.675 752 A CB 0.077 19.088 19.000 0.018 0.000 0.845 752 A HN 0.184 nan 8.150 nan 0.000 0.455 753 I N -0.902 119.691 120.570 0.039 0.000 2.530 753 I HA -0.204 3.983 4.170 0.028 0.000 0.257 753 I C 2.150 178.311 176.117 0.074 0.000 1.179 753 I CA 1.416 62.738 61.300 0.037 0.000 1.440 753 I CB -1.376 36.643 38.000 0.032 0.000 1.087 753 I HN 0.523 nan 8.210 nan 0.000 0.440 754 Y N 2.120 122.388 120.300 -0.054 0.000 2.262 754 Y HA -0.065 4.503 4.550 0.031 0.000 0.295 754 Y C 2.275 178.118 175.900 -0.096 0.000 1.121 754 Y CA 1.218 59.270 58.100 -0.081 0.000 1.144 754 Y CB -0.378 38.044 38.460 -0.064 0.000 1.043 754 Y HN 0.116 nan 8.280 nan 0.000 0.528 755 N N 0.582 119.284 118.700 0.003 0.000 2.192 755 N HA -0.209 4.548 4.740 0.028 0.000 0.188 755 N C 1.262 176.686 175.510 -0.143 0.000 1.013 755 N CA 1.712 54.715 53.050 -0.079 0.000 0.863 755 N CB -0.250 38.236 38.487 -0.002 0.000 0.990 755 N HN 0.430 nan 8.380 nan 0.000 0.430 756 N N -0.331 118.303 118.700 -0.110 0.000 2.305 756 N HA 0.072 4.828 4.740 0.028 0.000 0.179 756 N C 1.606 176.991 175.510 -0.208 0.000 1.019 756 N CA 0.465 53.462 53.050 -0.089 0.000 0.869 756 N CB -0.095 38.383 38.487 -0.014 0.000 1.000 756 N HN 0.280 nan 8.380 nan 0.000 0.431 757 M N 1.250 120.659 119.600 -0.318 0.000 2.080 757 M HA -0.139 4.358 4.480 0.028 0.000 0.260 757 M C 2.124 177.802 176.300 -1.037 0.000 1.068 757 M CA 1.371 56.188 55.300 -0.805 0.000 1.109 757 M CB -0.256 32.081 32.600 -0.439 0.000 1.342 757 M HN 0.023 nan 8.290 nan 0.000 0.405 758 K N -0.144 119.777 120.400 -0.799 0.000 2.286 758 K HA -0.250 4.087 4.320 0.028 0.000 0.203 758 K C 1.883 178.204 176.600 -0.466 0.000 1.045 758 K CA 1.421 57.290 56.287 -0.695 0.000 0.935 758 K CB 0.157 32.266 32.500 -0.652 0.000 0.737 758 K HN 0.195 nan 8.250 nan 0.000 0.460 759 Q N -0.008 119.555 119.800 -0.395 0.000 1.967 759 Q HA -0.075 4.282 4.340 0.028 0.000 0.196 759 Q C 1.791 177.709 176.000 -0.137 0.000 0.978 759 Q CA 1.782 57.468 55.803 -0.195 0.000 0.833 759 Q CB -0.509 28.170 28.738 -0.099 0.000 0.898 759 Q HN 0.410 nan 8.270 nan 0.000 0.446 760 F N -0.635 119.277 119.950 -0.063 0.000 2.411 760 F HA -0.067 4.475 4.527 0.025 0.000 0.299 760 F C 1.392 177.203 175.800 0.018 0.000 1.077 760 F CA 0.741 58.755 58.000 0.024 0.000 1.439 760 F CB -0.583 38.406 39.000 -0.018 0.000 1.085 760 F HN 0.083 nan 8.300 nan 0.000 0.564 761 I N 0.365 120.685 120.570 -0.417 0.000 2.400 761 I HA -0.050 4.137 4.170 0.028 0.000 0.248 761 I C 2.090 178.047 176.117 -0.267 0.000 1.109 761 I CA 0.601 61.699 61.300 -0.336 0.000 1.425 761 I CB -0.321 37.366 38.000 -0.522 0.000 1.094 761 I HN 0.018 nan 8.210 nan 0.000 0.425 762 R N -0.596 119.731 120.500 -0.289 0.000 2.335 762 R HA -0.034 4.323 4.340 0.028 0.000 0.223 762 R C 1.326 177.396 176.300 -0.383 0.000 0.940 762 R CA 0.324 56.178 56.100 -0.410 0.000 1.086 762 R CB 0.147 30.194 30.300 -0.423 0.000 1.073 762 R HN 0.424 nan 8.270 nan 0.000 0.504 763 Y N -0.352 119.803 120.300 -0.242 0.000 2.576 763 Y HA 0.153 4.714 4.550 0.019 0.000 0.282 763 Y C 1.639 177.493 175.900 -0.077 0.000 1.139 763 Y CA 0.173 58.208 58.100 -0.110 0.000 1.265 763 Y CB -0.188 38.269 38.460 -0.005 0.000 1.376 763 Y HN -0.082 nan 8.280 nan 0.000 0.511 764 L N 1.461 122.572 121.223 -0.186 0.000 2.450 764 L HA -0.069 4.288 4.340 0.028 0.000 0.224 764 L C 1.643 178.381 176.870 -0.220 0.000 1.149 764 L CA 1.660 56.346 54.840 -0.257 0.000 0.816 764 L CB -0.259 41.815 42.059 0.025 0.000 0.932 764 L HN 0.634 nan 8.230 nan 0.000 0.449 765 I N -6.272 114.163 120.570 -0.225 0.000 4.070 765 I HA 0.084 4.271 4.170 0.028 0.000 0.328 765 I C 2.098 178.097 176.117 -0.196 0.000 1.298 765 I CA 0.341 61.526 61.300 -0.192 0.000 1.173 765 I CB 0.243 38.073 38.000 -0.283 0.000 1.051 765 I HN -0.055 nan 8.210 nan 0.000 0.409 766 S N 1.644 117.183 115.700 -0.269 0.000 2.428 766 S HA -0.127 4.360 4.470 0.028 0.000 0.230 766 S C 2.197 176.720 174.600 -0.128 0.000 1.014 766 S CA 1.644 59.718 58.200 -0.211 0.000 0.957 766 S CB -0.351 62.727 63.200 -0.203 0.000 0.784 766 S HN 0.755 nan 8.310 nan 0.000 0.499 767 S N 1.121 116.700 115.700 -0.202 0.000 2.414 767 S HA 0.041 4.527 4.470 0.028 0.000 0.227 767 S C 1.485 176.032 174.600 -0.089 0.000 1.022 767 S CA 1.008 59.115 58.200 -0.156 0.000 0.958 767 S CB -0.755 62.303 63.200 -0.237 0.000 0.797 767 S HN 0.571 nan 8.310 nan 0.000 0.493 768 N N 1.388 120.039 118.700 -0.080 0.000 2.459 768 N HA 0.070 4.827 4.740 0.028 0.000 0.181 768 N C 1.376 176.879 175.510 -0.012 0.000 1.046 768 N CA 0.866 53.900 53.050 -0.026 0.000 0.904 768 N CB -0.358 38.137 38.487 0.013 0.000 0.964 768 N HN 0.328 nan 8.380 nan 0.000 0.444 769 V N -0.449 119.449 119.914 -0.026 0.000 2.626 769 V HA -0.069 4.068 4.120 0.028 0.000 0.252 769 V C 2.132 178.214 176.094 -0.020 0.000 1.067 769 V CA 1.910 64.198 62.300 -0.019 0.000 1.081 769 V CB -0.942 30.865 31.823 -0.027 0.000 0.686 769 V HN 0.391 nan 8.190 nan 0.000 0.468 770 G N -0.525 108.263 108.800 -0.019 0.000 2.471 770 G HA2 -0.099 3.878 3.960 0.028 0.000 0.211 770 G HA3 -0.099 3.878 3.960 0.028 0.000 0.211 770 G C 1.328 176.226 174.900 -0.004 0.000 1.194 770 G CA 0.431 45.524 45.100 -0.012 0.000 0.816 770 G HN 0.485 nan 8.290 nan 0.000 0.545 771 E N 0.091 120.288 120.200 -0.006 0.000 2.236 771 E HA -0.188 4.179 4.350 0.028 0.000 0.205 771 E C 2.574 179.183 176.600 0.016 0.000 1.028 771 E CA 1.357 57.761 56.400 0.006 0.000 0.827 771 E CB -0.141 29.562 29.700 0.004 0.000 0.735 771 E HN 0.342 nan 8.360 nan 0.000 0.470 772 V N 0.200 120.120 119.914 0.010 0.000 2.379 772 V HA -0.179 3.958 4.120 0.028 0.000 0.243 772 V C 2.298 178.419 176.094 0.044 0.000 1.035 772 V CA 1.010 63.319 62.300 0.015 0.000 1.035 772 V CB -0.313 31.500 31.823 -0.018 0.000 0.673 772 V HN 0.106 nan 8.190 nan 0.000 0.457 773 V N -0.163 119.767 119.914 0.027 0.000 2.231 773 V HA -0.396 3.741 4.120 0.028 0.000 0.250 773 V C 2.658 178.810 176.094 0.097 0.000 1.058 773 V CA 2.552 64.888 62.300 0.061 0.000 1.022 773 V CB -0.837 31.001 31.823 0.024 0.000 0.640 773 V HN 0.805 nan 8.190 nan 0.000 0.445 774 C N 0.427 119.755 119.300 0.047 0.000 2.359 774 C HA -0.239 4.238 4.460 0.028 0.000 0.277 774 C C 2.575 177.598 174.990 0.055 0.000 1.192 774 C CA 1.572 60.609 59.018 0.031 0.000 1.759 774 C CB -1.219 26.527 27.740 0.011 0.000 2.038 774 C HN 0.560 nan 8.230 nan 0.000 0.448 775 I N 0.358 120.966 120.570 0.063 0.000 2.479 775 I HA -0.166 4.021 4.170 0.028 0.000 0.258 775 I C 2.250 178.443 176.117 0.126 0.000 1.165 775 I CA 1.816 63.160 61.300 0.072 0.000 1.422 775 I CB -1.592 36.444 38.000 0.060 0.000 1.087 775 I HN 0.447 nan 8.210 nan 0.000 0.441 776 F N 1.154 121.094 119.950 -0.017 0.000 2.187 776 F HA -0.053 4.489 4.527 0.025 0.000 0.295 776 F C 2.301 178.097 175.800 -0.008 0.000 1.091 776 F CA 1.178 59.171 58.000 -0.012 0.000 1.308 776 F CB -0.228 38.766 39.000 -0.010 0.000 1.030 776 F HN -0.114 nan 8.300 nan 0.000 0.487 777 L N -1.030 120.206 121.223 0.022 0.000 2.072 777 L HA -0.162 4.195 4.340 0.028 0.000 0.205 777 L C 2.127 178.938 176.870 -0.098 0.000 1.079 777 L CA 1.659 56.447 54.840 -0.086 0.000 0.752 777 L CB -1.060 40.977 42.059 -0.037 0.000 0.906 777 L HN 0.008 nan 8.230 nan 0.000 0.436 778 T N -0.993 113.534 114.554 -0.045 0.000 3.427 778 T HA 0.158 4.524 4.350 0.028 0.000 0.256 778 T C 0.888 175.586 174.700 -0.004 0.000 1.172 778 T CA 0.882 62.963 62.100 -0.031 0.000 1.018 778 T CB -0.073 68.790 68.868 -0.008 0.000 0.981 778 T HN 0.463 nan 8.240 nan 0.000 0.555 779 A N -1.098 121.694 122.820 -0.046 0.000 1.996 779 A HA 0.716 5.053 4.320 0.028 0.000 0.185 779 A C 2.009 179.545 177.584 -0.080 0.000 1.803 779 A CA 0.720 52.759 52.037 0.004 0.000 1.335 779 A CB -0.750 18.241 19.000 -0.015 0.000 1.486 779 A HN 0.437 nan 8.150 nan 0.000 0.408 780 A N 0.504 123.160 122.820 -0.273 0.000 1.823 780 A HA 0.333 4.670 4.320 0.028 0.000 0.214 780 A C 0.840 178.318 177.584 -0.176 0.000 1.225 780 A CA 0.927 52.757 52.037 -0.346 0.000 0.604 780 A CB -0.767 17.839 19.000 -0.658 0.000 0.878 780 A HN 0.451 nan 8.150 nan 0.000 0.450 781 L N 0.865 121.990 121.223 -0.163 0.000 2.375 781 L HA 0.498 4.854 4.340 0.028 0.000 0.276 781 L C 0.836 177.660 176.870 -0.077 0.000 1.162 781 L CA 0.193 54.972 54.840 -0.101 0.000 0.991 781 L CB -0.770 41.230 42.059 -0.100 0.000 1.315 781 L HN 0.790 nan 8.230 nan 0.000 0.431 782 G N 2.314 111.083 108.800 -0.053 0.000 2.828 782 G HA2 -0.228 3.749 3.960 0.028 0.000 0.463 782 G HA3 -0.228 3.749 3.960 0.028 0.000 0.463 782 G C -0.689 174.195 174.900 -0.028 0.000 1.394 782 G CA -0.498 44.579 45.100 -0.040 0.000 0.862 782 G HN 0.437 nan 8.290 nan 0.000 0.540 783 L N 1.714 122.925 121.223 -0.020 0.000 3.168 783 L HA 0.464 4.821 4.340 0.028 0.000 0.277 783 L C -1.142 175.711 176.870 -0.028 0.000 1.308 783 L CA -1.190 53.661 54.840 0.017 0.000 0.976 783 L CB 0.756 42.842 42.059 0.045 0.000 1.383 783 L HN 0.400 nan 8.230 nan 0.000 0.572 784 P HA -0.074 nan 4.420 nan 0.000 0.285 784 P C -0.275 176.990 177.300 -0.057 0.000 1.521 784 P CA -0.217 62.817 63.100 -0.109 0.000 0.792 784 P CB -0.811 30.808 31.700 -0.135 0.000 1.613 785 E N -0.496 119.702 120.200 -0.003 0.000 3.580 785 E HA -0.127 4.240 4.350 0.028 0.000 0.260 785 E C 0.462 177.070 176.600 0.012 0.000 0.828 785 E CA 0.291 56.708 56.400 0.029 0.000 0.984 785 E CB -0.150 29.593 29.700 0.073 0.000 0.826 785 E HN 0.262 nan 8.360 nan 0.000 0.555 786 A N 4.801 127.621 122.820 -0.000 0.000 2.085 786 A HA 0.204 4.541 4.320 0.028 0.000 0.208 786 A C 0.811 178.408 177.584 0.022 0.000 1.191 786 A CA 0.029 52.063 52.037 -0.005 0.000 0.799 786 A CB 0.510 19.489 19.000 -0.035 0.000 0.877 786 A HN 0.538 nan 8.150 nan 0.000 0.473 787 L N 1.508 122.748 121.223 0.029 0.000 2.316 787 L HA 0.464 4.821 4.340 0.028 0.000 0.280 787 L C -0.915 175.983 176.870 0.047 0.000 1.006 787 L CA -0.424 54.442 54.840 0.044 0.000 0.836 787 L CB 1.681 43.764 42.059 0.039 0.000 1.221 787 L HN 0.180 nan 8.230 nan 0.000 0.418 788 I N 5.349 125.951 120.570 0.053 0.000 2.575 788 I HA 0.114 4.301 4.170 0.028 0.000 0.285 788 I C -0.907 175.234 176.117 0.040 0.000 1.085 788 I CA -1.456 59.871 61.300 0.045 0.000 1.403 788 I CB 1.317 39.339 38.000 0.037 0.000 1.409 788 I HN 0.447 nan 8.210 nan 0.000 0.557 789 P HA -0.136 nan 4.420 nan 0.000 0.215 789 P C 1.162 178.482 177.300 0.034 0.000 1.157 789 P CA 1.440 64.562 63.100 0.038 0.000 0.868 789 P CB 0.050 31.774 31.700 0.041 0.000 0.788 790 V N 0.207 120.132 119.914 0.018 0.000 3.590 790 V HA -0.035 4.101 4.120 0.028 0.000 0.272 790 V C 2.434 178.485 176.094 -0.072 0.000 1.233 790 V CA 1.050 63.343 62.300 -0.011 0.000 1.182 790 V CB -1.551 30.258 31.823 -0.024 0.000 0.901 790 V HN 0.230 nan 8.190 nan 0.000 0.485 791 Q N -0.312 119.479 119.800 -0.015 0.000 2.369 791 Q HA 0.176 4.533 4.340 0.028 0.000 0.254 791 Q C 1.905 177.983 176.000 0.131 0.000 0.858 791 Q CA 0.142 55.954 55.803 0.015 0.000 0.961 791 Q CB 0.333 29.106 28.738 0.059 0.000 1.119 791 Q HN 0.598 nan 8.270 nan 0.000 0.538 792 L N 0.891 122.173 121.223 0.099 0.000 2.217 792 L HA -0.123 4.234 4.340 0.028 0.000 0.211 792 L C 2.199 179.136 176.870 0.112 0.000 1.107 792 L CA 0.361 55.263 54.840 0.103 0.000 0.783 792 L CB -0.251 41.846 42.059 0.064 0.000 0.919 792 L HN 0.306 nan 8.230 nan 0.000 0.442 793 L N -1.036 120.253 121.223 0.110 0.000 1.989 793 L HA -0.269 4.088 4.340 0.028 0.000 0.211 793 L C 2.309 179.273 176.870 0.157 0.000 1.071 793 L CA 2.167 57.073 54.840 0.110 0.000 0.749 793 L CB -1.282 40.839 42.059 0.104 0.000 0.890 793 L HN 0.478 nan 8.230 nan 0.000 0.431 794 W N 0.113 121.451 121.300 0.064 0.000 2.421 794 W HA -0.133 4.542 4.660 0.024 0.000 0.270 794 W C 2.161 178.756 176.519 0.126 0.000 1.233 794 W CA 0.940 58.366 57.345 0.135 0.000 1.226 794 W CB 0.058 29.688 29.460 0.284 0.000 1.121 794 W HN -0.137 nan 8.180 nan 0.000 0.579 795 V N 0.615 120.670 119.914 0.234 0.000 3.306 795 V HA -0.118 4.019 4.120 0.028 0.000 0.264 795 V C 1.361 177.441 176.094 -0.023 0.000 1.149 795 V CA 1.370 63.736 62.300 0.110 0.000 1.143 795 V CB -0.586 31.329 31.823 0.153 0.000 0.767 795 V HN 0.170 nan 8.190 nan 0.000 0.476 796 N N -0.538 118.145 118.700 -0.028 0.000 2.250 796 N HA 0.171 4.928 4.740 0.028 0.000 0.190 796 N C 1.135 176.596 175.510 -0.082 0.000 1.116 796 N CA 0.283 53.302 53.050 -0.052 0.000 0.881 796 N CB 1.054 39.531 38.487 -0.017 0.000 1.006 796 N HN 0.309 nan 8.380 nan 0.000 0.491 797 L N -0.529 120.617 121.223 -0.128 0.000 2.609 797 L HA 0.246 4.602 4.340 0.028 0.000 0.230 797 L C 1.464 178.190 176.870 -0.240 0.000 1.087 797 L CA 0.427 55.180 54.840 -0.145 0.000 0.874 797 L CB 0.635 42.632 42.059 -0.103 0.000 1.114 797 L HN -0.147 nan 8.230 nan 0.000 0.488 798 V N -3.507 116.168 119.914 -0.399 0.000 3.415 798 V HA -0.004 4.133 4.120 0.028 0.000 0.204 798 V C 1.995 177.845 176.094 -0.406 0.000 1.365 798 V CA 0.959 62.965 62.300 -0.491 0.000 1.310 798 V CB 0.070 31.342 31.823 -0.917 0.000 1.231 798 V HN 0.094 nan 8.190 nan 0.000 0.538 799 T N 1.001 115.263 114.554 -0.487 0.000 2.680 799 T HA -0.234 4.133 4.350 0.028 0.000 0.268 799 T C 1.161 175.806 174.700 -0.092 0.000 1.033 799 T CA 2.339 64.304 62.100 -0.225 0.000 1.152 799 T CB -0.225 68.598 68.868 -0.074 0.000 0.859 799 T HN 0.523 nan 8.240 nan 0.000 0.452 800 D N -0.882 119.470 120.400 -0.079 0.000 2.498 800 D HA 0.189 4.846 4.640 0.028 0.000 0.223 800 D C 2.043 178.369 176.300 0.043 0.000 1.125 800 D CA 0.269 54.279 54.000 0.016 0.000 0.835 800 D CB -0.073 40.672 40.800 -0.092 0.000 1.086 800 D HN 0.443 nan 8.370 nan 0.000 0.510 801 G N 1.019 109.786 108.800 -0.056 0.000 2.534 801 G HA2 -0.105 3.871 3.960 0.028 0.000 0.217 801 G HA3 -0.105 3.871 3.960 0.028 0.000 0.217 801 G C 1.468 176.333 174.900 -0.058 0.000 1.128 801 G CA 0.118 45.180 45.100 -0.063 0.000 0.784 801 G HN 0.134 nan 8.290 nan 0.000 0.542 802 L N 0.705 121.900 121.223 -0.047 0.000 2.127 802 L HA 0.143 4.500 4.340 0.028 0.000 0.203 802 L C -0.363 176.514 176.870 0.011 0.000 1.080 802 L CA 1.275 56.099 54.840 -0.027 0.000 0.768 802 L CB -1.048 40.988 42.059 -0.039 0.000 0.924 802 L HN 0.060 nan 8.230 nan 0.000 0.444 803 P HA -0.035 nan 4.420 nan 0.000 0.223 803 P C 1.487 178.774 177.300 -0.022 0.000 1.151 803 P CA 1.232 64.341 63.100 0.015 0.000 0.787 803 P CB 0.120 31.837 31.700 0.028 0.000 0.788 804 A N -0.557 122.294 122.820 0.051 0.000 1.845 804 A HA -0.173 4.164 4.320 0.028 0.000 0.215 804 A C 2.256 179.684 177.584 -0.260 0.000 1.195 804 A CA 2.415 54.450 52.037 -0.003 0.000 0.616 804 A CB -1.892 17.114 19.000 0.010 0.000 0.832 804 A HN 0.107 nan 8.150 nan 0.000 0.443 805 T N 0.451 114.839 114.554 -0.277 0.000 2.737 805 T HA -0.097 4.270 4.350 0.028 0.000 0.269 805 T C 2.070 176.714 174.700 -0.093 0.000 1.040 805 T CA 1.672 63.599 62.100 -0.288 0.000 1.142 805 T CB -0.438 68.348 68.868 -0.136 0.000 0.861 805 T HN 0.605 nan 8.240 nan 0.000 0.456 806 A N 0.798 123.652 122.820 0.056 0.000 2.015 806 A HA 0.113 4.449 4.320 0.028 0.000 0.219 806 A C 2.170 179.852 177.584 0.164 0.000 1.163 806 A CA 0.906 53.083 52.037 0.233 0.000 0.646 806 A CB -0.642 18.466 19.000 0.179 0.000 0.806 806 A HN 0.500 nan 8.150 nan 0.000 0.448 807 L N -0.601 120.639 121.223 0.029 0.000 2.465 807 L HA -0.030 4.327 4.340 0.028 0.000 0.224 807 L C 2.060 178.963 176.870 0.054 0.000 1.145 807 L CA 0.490 55.358 54.840 0.047 0.000 0.834 807 L CB -0.174 41.922 42.059 0.063 0.000 0.944 807 L HN 0.473 nan 8.230 nan 0.000 0.451 808 G N -1.508 107.222 108.800 -0.116 0.000 3.414 808 G HA2 0.077 4.053 3.960 0.028 0.000 0.258 808 G HA3 0.077 4.053 3.960 0.028 0.000 0.258 808 G C 0.184 174.669 174.900 -0.691 0.000 1.348 808 G CA -0.056 44.847 45.100 -0.328 0.000 1.319 808 G HN 0.276 nan 8.290 nan 0.000 0.555 809 F N -1.211 118.717 119.950 -0.037 0.000 3.051 809 F HA 0.240 4.783 4.527 0.026 0.000 0.341 809 F C 0.324 176.101 175.800 -0.039 0.000 1.227 809 F CA -1.539 56.406 58.000 -0.091 0.000 1.030 809 F CB -0.470 38.416 39.000 -0.190 0.000 1.381 809 F HN -0.094 nan 8.300 nan 0.000 0.507 810 N N 2.861 121.631 118.700 0.116 0.000 2.407 810 N HA 0.117 4.874 4.740 0.028 0.000 0.250 810 N C -2.557 172.987 175.510 0.056 0.000 1.236 810 N CA -0.631 52.463 53.050 0.072 0.000 0.879 810 N CB 0.192 38.697 38.487 0.030 0.000 1.088 810 N HN -0.124 nan 8.380 nan 0.000 0.450 811 P HA 0.037 nan 4.420 nan 0.000 0.260 811 P C -2.319 174.992 177.300 0.019 0.000 1.185 811 P CA -0.598 62.520 63.100 0.031 0.000 0.763 811 P CB -0.098 31.613 31.700 0.017 0.000 0.776 812 P HA 0.000 nan 4.420 nan 0.000 0.261 812 P C -0.268 177.038 177.300 0.011 0.000 1.203 812 P CA 0.242 63.351 63.100 0.015 0.000 0.767 812 P CB 0.415 32.126 31.700 0.017 0.000 0.785 813 D N 2.902 123.307 120.400 0.008 0.000 2.455 813 D HA 0.061 4.718 4.640 0.028 0.000 0.241 813 D C 0.488 176.794 176.300 0.010 0.000 1.138 813 D CA -0.033 53.971 54.000 0.007 0.000 0.877 813 D CB 0.414 41.218 40.800 0.007 0.000 1.187 813 D HN 0.216 nan 8.370 nan 0.000 0.451 814 L N 2.688 123.917 121.223 0.009 0.000 2.474 814 L HA 0.133 4.489 4.340 0.028 0.000 0.259 814 L C 0.930 177.808 176.870 0.012 0.000 1.232 814 L CA -0.352 54.495 54.840 0.011 0.000 0.821 814 L CB 0.057 42.122 42.059 0.010 0.000 1.108 814 L HN 0.573 nan 8.230 nan 0.000 0.495 815 D N -1.094 119.313 120.400 0.013 0.000 3.077 815 D HA -0.239 4.417 4.640 0.028 0.000 0.217 815 D C 1.268 177.577 176.300 0.015 0.000 1.162 815 D CA 0.649 54.657 54.000 0.014 0.000 0.943 815 D CB -0.600 40.208 40.800 0.014 0.000 1.122 815 D HN 0.423 nan 8.370 nan 0.000 0.413 816 I N -0.177 120.402 120.570 0.015 0.000 2.229 816 I HA -0.279 3.908 4.170 0.028 0.000 0.250 816 I C 1.718 177.844 176.117 0.016 0.000 1.096 816 I CA 1.658 62.968 61.300 0.017 0.000 1.358 816 I CB -0.192 37.817 38.000 0.015 0.000 1.047 816 I HN 0.223 nan 8.210 nan 0.000 0.422 817 M N -0.838 118.770 119.600 0.014 0.000 2.428 817 M HA 0.047 4.544 4.480 0.028 0.000 0.239 817 M C 0.333 176.642 176.300 0.016 0.000 1.121 817 M CA 0.534 55.842 55.300 0.013 0.000 1.019 817 M CB -0.981 31.626 32.600 0.011 0.000 1.485 817 M HN 0.042 nan 8.290 nan 0.000 0.484 818 D N 0.695 121.104 120.400 0.016 0.000 2.491 818 D HA 0.182 4.839 4.640 0.028 0.000 0.228 818 D C -0.028 176.282 176.300 0.016 0.000 1.183 818 D CA 0.121 54.131 54.000 0.016 0.000 0.827 818 D CB 0.592 41.401 40.800 0.015 0.000 0.989 818 D HN 0.146 nan 8.370 nan 0.000 0.494 819 R N 0.845 121.356 120.500 0.017 0.000 2.795 819 R HA 0.428 4.784 4.340 0.028 0.000 0.275 819 R C -2.660 173.651 176.300 0.018 0.000 0.981 819 R CA -1.888 54.222 56.100 0.018 0.000 0.917 819 R CB 1.801 32.114 30.300 0.021 0.000 1.202 819 R HN -0.056 nan 8.270 nan 0.000 0.469 820 P HA 0.079 nan 4.420 nan 0.000 0.272 820 P C -2.401 174.909 177.300 0.016 0.000 1.230 820 P CA -1.106 62.004 63.100 0.016 0.000 0.788 820 P CB -0.130 31.578 31.700 0.015 0.000 0.949 821 P HA 0.037 nan 4.420 nan 0.000 0.265 821 P C 0.529 177.833 177.300 0.006 0.000 1.193 821 P CA 0.179 63.283 63.100 0.006 0.000 0.765 821 P CB 0.542 32.245 31.700 0.004 0.000 0.823 822 R N 1.231 121.731 120.500 0.001 0.000 3.127 822 R HA 0.106 4.463 4.340 0.028 0.000 0.290 822 R C 0.601 176.899 176.300 -0.003 0.000 1.089 822 R CA 0.267 56.371 56.100 0.007 0.000 1.188 822 R CB -0.307 29.993 30.300 -0.001 0.000 1.175 822 R HN 0.502 nan 8.270 nan 0.000 0.550 823 S N 1.061 116.764 115.700 0.004 0.000 2.530 823 S HA 0.287 4.774 4.470 0.028 0.000 0.322 823 S C -1.608 172.985 174.600 -0.011 0.000 1.085 823 S CA -1.670 56.531 58.200 0.003 0.000 1.096 823 S CB 1.228 64.439 63.200 0.018 0.000 0.988 823 S HN 0.320 nan 8.310 nan 0.000 0.466 824 P HA -0.064 nan 4.420 nan 0.000 0.224 824 P C 0.088 177.383 177.300 -0.009 0.000 1.142 824 P CA 0.840 63.917 63.100 -0.039 0.000 0.778 824 P CB 0.153 31.832 31.700 -0.035 0.000 0.764 825 K N 0.740 121.144 120.400 0.007 0.000 2.965 825 K HA 0.196 4.533 4.320 0.028 0.000 0.216 825 K C 0.123 176.741 176.600 0.029 0.000 1.164 825 K CA -0.163 56.135 56.287 0.018 0.000 1.153 825 K CB 0.308 32.819 32.500 0.018 0.000 1.045 825 K HN 0.321 nan 8.250 nan 0.000 0.460 826 E N 2.506 122.730 120.200 0.039 0.000 2.155 826 E HA 0.247 4.614 4.350 0.028 0.000 0.264 826 E C -2.360 174.281 176.600 0.069 0.000 0.886 826 E CA -2.007 54.427 56.400 0.056 0.000 0.752 826 E CB 1.410 31.151 29.700 0.069 0.000 1.133 826 E HN -0.057 nan 8.360 nan 0.000 0.414 827 P HA 0.068 nan 4.420 nan 0.000 0.276 827 P C 0.432 177.764 177.300 0.053 0.000 1.230 827 P CA -0.290 62.844 63.100 0.055 0.000 0.776 827 P CB 1.276 33.008 31.700 0.052 0.000 0.888 828 L N 3.026 124.262 121.223 0.023 0.000 2.056 828 L HA -0.007 4.350 4.340 0.028 0.000 0.207 828 L C 1.336 178.213 176.870 0.012 0.000 1.078 828 L CA 1.577 56.405 54.840 -0.020 0.000 0.749 828 L CB -0.828 41.161 42.059 -0.117 0.000 0.901 828 L HN 0.380 nan 8.230 nan 0.000 0.433 829 I N -0.128 120.461 120.570 0.032 0.000 2.382 829 I HA 0.503 4.690 4.170 0.028 0.000 0.286 829 I C -0.224 176.000 176.117 0.178 0.000 1.002 829 I CA -0.259 61.106 61.300 0.108 0.000 1.135 829 I CB 1.288 39.324 38.000 0.060 0.000 1.288 829 I HN 0.179 nan 8.210 nan 0.000 0.448 830 S N 3.522 119.360 115.700 0.230 0.000 2.663 830 S HA 0.797 5.284 4.470 0.028 0.000 0.264 830 S C -0.067 174.700 174.600 0.278 0.000 1.112 830 S CA -0.293 58.042 58.200 0.225 0.000 0.823 830 S CB 0.942 64.206 63.200 0.107 0.000 1.111 830 S HN 1.392 nan 8.310 nan 0.000 0.476 831 G N 1.256 110.206 108.800 0.249 0.000 2.574 831 G HA2 -0.363 3.614 3.960 0.028 0.000 0.286 831 G HA3 -0.363 3.614 3.960 0.028 0.000 0.286 831 G C 0.746 175.931 174.900 0.474 0.000 1.212 831 G CA 0.547 45.835 45.100 0.315 0.000 0.979 831 G HN 1.518 nan 8.290 nan 0.000 0.557 832 W N -0.235 121.201 121.300 0.226 0.000 2.421 832 W HA 0.065 4.744 4.660 0.032 0.000 0.270 832 W C 2.223 178.854 176.519 0.186 0.000 1.233 832 W CA 1.283 58.742 57.345 0.190 0.000 1.226 832 W CB -0.042 29.509 29.460 0.151 0.000 1.121 832 W HN 0.397 nan 8.180 nan 0.000 0.579 833 L N 0.220 121.575 121.223 0.220 0.000 2.240 833 L HA -0.067 4.290 4.340 0.028 0.000 0.211 833 L C 2.145 179.112 176.870 0.161 0.000 1.106 833 L CA 1.435 56.324 54.840 0.081 0.000 0.793 833 L CB -1.188 40.996 42.059 0.207 0.000 0.927 833 L HN -0.013 nan 8.230 nan 0.000 0.446 834 F N -0.983 119.045 119.950 0.130 0.000 2.113 834 F HA -0.233 4.314 4.527 0.034 0.000 0.297 834 F C 2.140 178.007 175.800 0.112 0.000 1.103 834 F CA 1.579 59.666 58.000 0.145 0.000 1.248 834 F CB -0.549 38.549 39.000 0.164 0.000 0.999 834 F HN 0.120 nan 8.300 nan 0.000 0.475 835 F N 1.114 120.964 119.950 -0.166 0.000 2.206 835 F HA 0.001 4.549 4.527 0.034 0.000 0.298 835 F C 2.641 178.130 175.800 -0.519 0.000 1.090 835 F CA 1.528 59.314 58.000 -0.357 0.000 1.323 835 F CB -0.615 38.286 39.000 -0.166 0.000 1.028 835 F HN -0.103 nan 8.300 nan 0.000 0.492 836 R N -1.054 119.112 120.500 -0.557 0.000 2.075 836 R HA -0.223 4.134 4.340 0.028 0.000 0.230 836 R C 2.091 178.056 176.300 -0.557 0.000 1.140 836 R CA 2.080 57.755 56.100 -0.707 0.000 0.928 836 R CB -0.864 28.973 30.300 -0.771 0.000 0.834 836 R HN 0.258 nan 8.270 nan 0.000 0.429 837 Y N -0.050 120.067 120.300 -0.304 0.000 2.639 837 Y HA -0.141 4.427 4.550 0.029 0.000 0.297 837 Y C 1.965 177.686 175.900 -0.299 0.000 1.151 837 Y CA 0.906 58.863 58.100 -0.237 0.000 1.335 837 Y CB -0.158 38.209 38.460 -0.155 0.000 0.994 837 Y HN 0.235 nan 8.280 nan 0.000 0.548 838 M N -0.176 119.218 119.600 -0.342 0.000 2.073 838 M HA -0.019 4.478 4.480 0.028 0.000 0.259 838 M C 2.403 178.493 176.300 -0.350 0.000 1.079 838 M CA 1.930 56.972 55.300 -0.430 0.000 1.131 838 M CB -0.812 31.385 32.600 -0.673 0.000 1.316 838 M HN 0.087 nan 8.290 nan 0.000 0.415 839 A N 0.961 123.496 122.820 -0.475 0.000 1.842 839 A HA -0.180 4.157 4.320 0.028 0.000 0.217 839 A C 1.957 179.446 177.584 -0.159 0.000 1.206 839 A CA 2.200 54.031 52.037 -0.344 0.000 0.630 839 A CB -1.499 17.239 19.000 -0.436 0.000 0.839 839 A HN 0.612 nan 8.150 nan 0.000 0.447 840 I N 0.253 120.717 120.570 -0.177 0.000 2.707 840 I HA -0.256 3.931 4.170 0.028 0.000 0.266 840 I C 2.196 178.332 176.117 0.031 0.000 1.215 840 I CA 1.581 62.850 61.300 -0.052 0.000 1.442 840 I CB -2.140 35.804 38.000 -0.092 0.000 1.108 840 I HN 0.437 nan 8.210 nan 0.000 0.464 841 G N -0.112 108.678 108.800 -0.018 0.000 2.608 841 G HA2 0.107 4.084 3.960 0.028 0.000 0.210 841 G HA3 0.107 4.084 3.960 0.028 0.000 0.210 841 G C 1.631 176.526 174.900 -0.008 0.000 1.139 841 G CA 0.551 45.647 45.100 -0.008 0.000 0.812 841 G HN 0.449 nan 8.290 nan 0.000 0.529 842 G N -0.166 108.624 108.800 -0.018 0.000 2.492 842 G HA2 -0.074 3.902 3.960 0.028 0.000 0.214 842 G HA3 -0.074 3.902 3.960 0.028 0.000 0.214 842 G C 1.504 176.428 174.900 0.039 0.000 1.147 842 G CA 0.708 45.807 45.100 -0.002 0.000 0.809 842 G HN 0.330 nan 8.290 nan 0.000 0.533 843 Y N 2.187 122.452 120.300 -0.058 0.000 2.274 843 Y HA -0.133 4.393 4.550 -0.039 0.000 0.290 843 Y C 2.556 178.451 175.900 -0.009 0.000 1.145 843 Y CA 1.648 59.729 58.100 -0.032 0.000 1.203 843 Y CB -0.008 38.420 38.460 -0.054 0.000 0.984 843 Y HN 0.106 nan 8.280 nan 0.000 0.533 844 V N -2.185 117.723 119.914 -0.009 0.000 3.573 844 V HA 0.217 4.354 4.120 0.028 0.000 0.270 844 V C 1.859 177.903 176.094 -0.084 0.000 1.221 844 V CA 1.306 63.560 62.300 -0.077 0.000 1.163 844 V CB -0.789 31.041 31.823 0.012 0.000 0.847 844 V HN 0.405 nan 8.190 nan 0.000 0.468 845 G N -0.542 108.219 108.800 -0.065 0.000 2.887 845 G HA2 0.388 4.365 3.960 0.028 0.000 0.211 845 G HA3 0.388 4.365 3.960 0.028 0.000 0.211 845 G C 1.291 176.155 174.900 -0.060 0.000 1.152 845 G CA 0.681 45.757 45.100 -0.039 0.000 0.769 845 G HN 0.733 nan 8.290 nan 0.000 0.541 846 A N 0.100 122.854 122.820 -0.110 0.000 2.252 846 A HA 0.711 5.048 4.320 0.028 0.000 0.213 846 A C 2.265 179.784 177.584 -0.108 0.000 1.188 846 A CA 1.271 53.251 52.037 -0.094 0.000 0.863 846 A CB 0.055 19.015 19.000 -0.067 0.000 0.893 846 A HN 0.410 nan 8.150 nan 0.000 0.495 847 A N -0.056 122.642 122.820 -0.202 0.000 1.924 847 A HA 0.090 4.427 4.320 0.028 0.000 0.211 847 A C 2.346 179.884 177.584 -0.078 0.000 1.198 847 A CA 1.926 53.858 52.037 -0.176 0.000 0.657 847 A CB -0.991 17.824 19.000 -0.309 0.000 0.852 847 A HN 0.545 nan 8.150 nan 0.000 0.454 848 T N -1.809 112.698 114.554 -0.078 0.000 2.701 848 T HA -0.107 4.260 4.350 0.028 0.000 0.263 848 T C 1.689 176.355 174.700 -0.056 0.000 1.040 848 T CA 1.656 63.726 62.100 -0.050 0.000 1.147 848 T CB -0.946 67.902 68.868 -0.035 0.000 0.865 848 T HN 0.052 nan 8.240 nan 0.000 0.426 849 V N 1.981 121.854 119.914 -0.069 0.000 2.626 849 V HA 0.059 4.195 4.120 0.028 0.000 0.252 849 V C 3.041 179.056 176.094 -0.132 0.000 1.067 849 V CA 1.558 63.799 62.300 -0.098 0.000 1.081 849 V CB -1.481 30.279 31.823 -0.105 0.000 0.686 849 V HN 0.703 nan 8.190 nan 0.000 0.468 850 G N -0.161 108.583 108.800 -0.094 0.000 2.448 850 G HA2 -0.097 3.880 3.960 0.028 0.000 0.218 850 G HA3 -0.097 3.880 3.960 0.028 0.000 0.218 850 G C 1.629 176.582 174.900 0.088 0.000 1.135 850 G CA 0.752 45.826 45.100 -0.042 0.000 0.784 850 G HN 0.600 nan 8.290 nan 0.000 0.543 851 A N 0.373 123.204 122.820 0.018 0.000 2.172 851 A HA 0.471 4.807 4.320 0.028 0.000 0.216 851 A C 2.357 179.883 177.584 -0.096 0.000 1.154 851 A CA 1.871 53.891 52.037 -0.029 0.000 0.701 851 A CB -0.178 18.771 19.000 -0.085 0.000 0.789 851 A HN 0.673 nan 8.150 nan 0.000 0.465 852 A N -1.861 120.871 122.820 -0.147 0.000 2.259 852 A HA 0.652 4.989 4.320 0.028 0.000 0.213 852 A C 1.973 179.260 177.584 -0.495 0.000 1.209 852 A CA 1.080 52.905 52.037 -0.353 0.000 0.910 852 A CB -0.197 18.611 19.000 -0.320 0.000 0.946 852 A HN 0.717 nan 8.150 nan 0.000 0.497 853 A N -1.122 121.543 122.820 -0.259 0.000 1.909 853 A HA 0.147 4.484 4.320 0.028 0.000 0.209 853 A C 1.696 179.236 177.584 -0.073 0.000 1.247 853 A CA 0.461 52.348 52.037 -0.249 0.000 0.660 853 A CB -0.872 17.909 19.000 -0.366 0.000 0.910 853 A HN 0.607 nan 8.150 nan 0.000 0.465 854 W N -0.649 120.653 121.300 0.003 0.000 2.632 854 W HA -0.098 4.582 4.660 0.034 0.000 0.248 854 W C 1.916 178.544 176.519 0.181 0.000 1.259 854 W CA 0.082 57.460 57.345 0.055 0.000 1.288 854 W CB 0.070 29.555 29.460 0.042 0.000 1.136 854 W HN 0.632 nan 8.180 nan 0.000 0.640 855 W N -0.479 120.892 121.300 0.117 0.000 2.681 855 W HA -0.100 4.578 4.660 0.030 0.000 0.311 855 W C 1.914 178.543 176.519 0.183 0.000 1.100 855 W CA 0.484 57.887 57.345 0.097 0.000 1.504 855 W CB -1.231 28.187 29.460 -0.071 0.000 1.201 855 W HN -0.229 nan 8.180 nan 0.000 0.488 856 F N 0.860 120.751 119.950 -0.099 0.000 2.146 856 F HA -0.417 4.130 4.527 0.033 0.000 0.298 856 F C 2.559 178.173 175.800 -0.309 0.000 1.053 856 F CA 1.434 59.271 58.000 -0.271 0.000 1.285 856 F CB -0.454 38.468 39.000 -0.130 0.000 1.039 856 F HN 0.027 nan 8.300 nan 0.000 0.497 857 M N -1.840 117.759 119.600 -0.001 0.000 2.492 857 M HA -0.080 4.417 4.480 0.028 0.000 0.255 857 M C 0.799 177.085 176.300 -0.024 0.000 1.139 857 M CA 1.390 56.634 55.300 -0.093 0.000 1.096 857 M CB -0.025 32.511 32.600 -0.105 0.000 1.360 857 M HN 0.269 nan 8.290 nan 0.000 0.480 858 Y N 0.058 120.263 120.300 -0.160 0.000 2.610 858 Y HA 0.549 5.116 4.550 0.029 0.000 0.254 858 Y C 0.392 176.140 175.900 -0.254 0.000 1.110 858 Y CA -0.297 57.724 58.100 -0.132 0.000 1.238 858 Y CB 0.059 38.507 38.460 -0.021 0.000 1.322 858 Y HN 0.083 nan 8.280 nan 0.000 0.547 859 A N 0.410 122.929 122.820 -0.503 0.000 2.267 859 A HA 0.395 4.732 4.320 0.028 0.000 0.271 859 A C 0.352 177.611 177.584 -0.543 0.000 1.131 859 A CA -0.243 51.242 52.037 -0.918 0.000 0.818 859 A CB 0.243 18.156 19.000 -1.812 0.000 1.118 859 A HN 0.296 nan 8.150 nan 0.000 0.501 860 E N 1.188 121.126 120.200 -0.436 0.000 2.434 860 E HA 0.227 4.593 4.350 0.028 0.000 0.243 860 E C -1.210 175.284 176.600 -0.178 0.000 1.250 860 E CA 0.180 56.444 56.400 -0.227 0.000 1.568 860 E CB -0.004 29.627 29.700 -0.115 0.000 1.435 860 E HN 0.457 nan 8.360 nan 0.000 0.432 861 D N 0.344 120.597 120.400 -0.245 0.000 2.362 861 D HA 0.262 4.919 4.640 0.028 0.000 0.232 861 D C -0.381 175.775 176.300 -0.240 0.000 1.329 861 D CA -0.157 53.732 54.000 -0.184 0.000 0.944 861 D CB 1.371 42.109 40.800 -0.102 0.000 1.471 861 D HN 0.274 nan 8.370 nan 0.000 0.533 862 G N 3.856 112.528 108.800 -0.213 0.000 2.602 862 G HA2 -0.105 3.872 3.960 0.028 0.000 0.291 862 G HA3 -0.105 3.872 3.960 0.028 0.000 0.291 862 G C -1.702 173.076 174.900 -0.203 0.000 0.988 862 G CA -0.605 44.350 45.100 -0.242 0.000 1.295 862 G HN 0.248 nan 8.290 nan 0.000 0.630 863 P HA 0.022 nan 4.420 nan 0.000 0.218 863 P C 1.339 178.586 177.300 -0.089 0.000 1.149 863 P CA 1.918 64.954 63.100 -0.107 0.000 0.817 863 P CB 0.296 31.951 31.700 -0.076 0.000 0.785 864 G N -0.090 108.651 108.800 -0.099 0.000 4.331 864 G HA2 0.301 4.278 3.960 0.028 0.000 0.299 864 G HA3 0.301 4.278 3.960 0.028 0.000 0.299 864 G C 0.854 175.673 174.900 -0.136 0.000 1.158 864 G CA -0.001 45.063 45.100 -0.060 0.000 0.916 864 G HN 0.258 nan 8.290 nan 0.000 0.553 865 V N -2.183 117.554 119.914 -0.294 0.000 3.565 865 V HA 0.210 4.347 4.120 0.028 0.000 0.260 865 V C 1.366 177.144 176.094 -0.527 0.000 1.231 865 V CA 0.825 62.717 62.300 -0.680 0.000 1.100 865 V CB -0.613 30.776 31.823 -0.723 0.000 0.807 865 V HN 0.279 nan 8.190 nan 0.000 0.454 866 T N -1.352 113.027 114.554 -0.292 0.000 2.939 866 T HA 0.087 4.454 4.350 0.028 0.000 0.319 866 T C 0.225 174.823 174.700 -0.170 0.000 1.082 866 T CA 0.735 62.634 62.100 -0.334 0.000 1.133 866 T CB -0.387 68.207 68.868 -0.456 0.000 1.019 866 T HN 0.847 nan 8.240 nan 0.000 0.548 867 Y N -1.000 119.343 120.300 0.072 0.000 3.491 867 Y HA -0.226 4.341 4.550 0.028 0.000 0.215 867 Y C 1.042 177.039 175.900 0.162 0.000 1.219 867 Y CA 0.716 58.874 58.100 0.098 0.000 1.485 867 Y CB -3.111 35.399 38.460 0.083 0.000 1.450 867 Y HN 0.882 nan 8.280 nan 0.000 0.603 868 H N 0.296 119.438 119.070 0.120 0.000 2.711 868 H HA 0.158 4.731 4.556 0.028 0.000 0.381 868 H C 0.531 175.919 175.328 0.100 0.000 1.535 868 H CA 0.240 56.348 56.048 0.100 0.000 1.470 868 H CB 0.603 30.393 29.762 0.046 0.000 1.551 868 H HN 0.122 nan 8.280 nan 0.000 0.613 869 Q N 2.043 121.894 119.800 0.086 0.000 2.928 869 Q HA 0.127 4.484 4.340 0.028 0.000 0.353 869 Q C 0.643 176.575 176.000 -0.114 0.000 0.870 869 Q CA -0.042 55.791 55.803 0.051 0.000 0.963 869 Q CB 0.587 29.409 28.738 0.141 0.000 1.419 869 Q HN 0.579 nan 8.270 nan 0.000 0.396 870 L N -0.933 120.240 121.223 -0.084 0.000 2.551 870 L HA -0.052 4.305 4.340 0.028 0.000 0.228 870 L C 1.437 178.290 176.870 -0.028 0.000 1.153 870 L CA 0.894 55.679 54.840 -0.091 0.000 0.851 870 L CB -0.309 41.668 42.059 -0.136 0.000 0.959 870 L HN 0.211 nan 8.230 nan 0.000 0.451 871 T N -2.520 112.034 114.554 -0.000 0.000 2.894 871 T HA -0.126 4.240 4.350 0.028 0.000 0.258 871 T C 1.794 176.528 174.700 0.056 0.000 1.043 871 T CA 0.685 62.797 62.100 0.020 0.000 1.141 871 T CB -0.200 68.684 68.868 0.026 0.000 0.873 871 T HN 0.353 nan 8.240 nan 0.000 0.449 872 H N 2.085 121.171 119.070 0.027 0.000 2.269 872 H HA -0.007 4.566 4.556 0.028 0.000 0.299 872 H C 0.407 175.821 175.328 0.144 0.000 1.058 872 H CA 1.265 57.376 56.048 0.104 0.000 1.246 872 H CB -0.541 29.345 29.762 0.207 0.000 1.376 872 H HN 0.393 nan 8.280 nan 0.000 0.503 873 F N -0.662 119.497 119.950 0.348 0.000 2.450 873 F HA 0.450 4.995 4.527 0.030 0.000 0.332 873 F C 0.688 176.512 175.800 0.039 0.000 1.093 873 F CA -1.027 57.073 58.000 0.167 0.000 1.003 873 F CB 1.340 40.457 39.000 0.195 0.000 1.151 873 F HN 0.061 nan 8.300 nan 0.000 0.474 874 M N 1.397 120.968 119.600 -0.047 0.000 2.060 874 M HA 0.116 4.613 4.480 0.028 0.000 0.273 874 M C 1.091 177.212 176.300 -0.297 0.000 1.139 874 M CA 0.881 56.059 55.300 -0.203 0.000 1.091 874 M CB 0.071 32.670 32.600 -0.003 0.000 1.860 874 M HN 0.884 nan 8.290 nan 0.000 0.638 875 Q N 0.262 119.991 119.800 -0.118 0.000 2.297 875 Q HA 0.009 4.365 4.340 0.028 0.000 0.204 875 Q C 0.964 176.903 176.000 -0.102 0.000 0.962 875 Q CA 1.029 56.775 55.803 -0.095 0.000 0.879 875 Q CB -0.434 28.279 28.738 -0.042 0.000 0.947 875 Q HN 0.614 nan 8.270 nan 0.000 0.462 876 c N 0.808 119.387 118.600 -0.036 0.000 2.738 876 c HA -0.190 4.397 4.570 0.028 0.000 0.270 876 c C 1.060 175.113 174.090 -0.062 0.000 1.049 876 c CA 0.613 56.941 56.329 -0.002 0.000 2.684 876 c CB -1.672 40.775 42.510 -0.106 0.000 1.606 876 c HN 0.639 nan 8.230 nan 0.000 0.416 877 T N 2.797 117.304 114.554 -0.077 0.000 3.015 877 T HA 0.134 4.501 4.350 0.028 0.000 0.250 877 T C 0.687 175.299 174.700 -0.147 0.000 1.057 877 T CA 1.260 63.304 62.100 -0.093 0.000 1.066 877 T CB 0.160 68.987 68.868 -0.067 0.000 0.959 877 T HN 0.962 nan 8.240 nan 0.000 0.488 878 E N 0.663 120.711 120.200 -0.253 0.000 2.437 878 E HA 0.380 4.747 4.350 0.028 0.000 0.253 878 E C -1.819 174.453 176.600 -0.547 0.000 0.905 878 E CA -0.716 55.457 56.400 -0.377 0.000 0.871 878 E CB 0.985 30.419 29.700 -0.443 0.000 1.649 878 E HN -0.109 nan 8.360 nan 0.000 0.422 879 D N -0.090 119.891 120.400 -0.698 0.000 2.696 879 D HA 0.301 4.958 4.640 0.028 0.000 0.251 879 D C -0.088 175.666 176.300 -0.909 0.000 1.188 879 D CA -0.394 53.204 54.000 -0.669 0.000 0.876 879 D CB 1.059 41.627 40.800 -0.387 0.000 1.334 879 D HN 0.375 nan 8.370 nan 0.000 0.540 880 H N 0.750 119.492 119.070 -0.547 0.000 2.408 880 H HA 0.111 4.683 4.556 0.028 0.000 0.271 880 H C -0.857 174.273 175.328 -0.330 0.000 0.957 880 H CA 0.322 56.055 56.048 -0.525 0.000 1.170 880 H CB -0.301 29.146 29.762 -0.525 0.000 1.458 880 H HN 0.354 nan 8.280 nan 0.000 0.491 881 P HA -0.005 nan 4.420 nan 0.000 0.230 881 P C -0.180 177.268 177.300 0.247 0.000 1.168 881 P CA 1.222 64.419 63.100 0.162 0.000 0.793 881 P CB 0.639 32.492 31.700 0.255 0.000 0.851 882 H N -1.343 117.746 119.070 0.032 0.000 3.240 882 H HA 0.310 4.884 4.556 0.029 0.000 0.326 882 H C 0.350 175.704 175.328 0.043 0.000 1.015 882 H CA -0.810 55.305 56.048 0.112 0.000 1.504 882 H CB 0.042 29.878 29.762 0.124 0.000 1.754 882 H HN -0.362 nan 8.280 nan 0.000 0.505 883 F N 1.500 121.281 119.950 -0.281 0.000 1.982 883 F HA -0.040 4.503 4.527 0.028 0.000 0.299 883 F C 1.261 176.839 175.800 -0.370 0.000 1.290 883 F CA 1.088 58.923 58.000 -0.276 0.000 1.182 883 F CB -0.071 38.819 39.000 -0.183 0.000 0.951 883 F HN 0.422 nan 8.300 nan 0.000 0.513 884 E N 0.923 121.050 120.200 -0.122 0.000 2.014 884 E HA 0.465 4.831 4.350 0.028 0.000 0.275 884 E C 0.241 176.704 176.600 -0.230 0.000 0.997 884 E CA 0.124 56.434 56.400 -0.149 0.000 0.804 884 E CB 0.602 30.267 29.700 -0.059 0.000 1.090 884 E HN 0.515 nan 8.360 nan 0.000 0.401 885 G N 1.482 110.200 108.800 -0.136 0.000 2.494 885 G HA2 0.407 4.384 3.960 0.028 0.000 0.308 885 G HA3 0.407 4.384 3.960 0.028 0.000 0.308 885 G C -1.281 173.725 174.900 0.176 0.000 1.263 885 G CA -0.749 44.443 45.100 0.154 0.000 0.840 885 G HN 0.292 nan 8.290 nan 0.000 0.479 886 L N 1.000 122.353 121.223 0.217 0.000 2.594 886 L HA 0.417 4.774 4.340 0.028 0.000 0.245 886 L C -0.580 176.354 176.870 0.107 0.000 1.460 886 L CA -0.331 54.581 54.840 0.122 0.000 0.865 886 L CB 1.377 43.480 42.059 0.073 0.000 1.131 886 L HN 0.363 nan 8.230 nan 0.000 0.506 887 D N -0.898 119.590 120.400 0.146 0.000 2.469 887 D HA 0.118 4.775 4.640 0.028 0.000 0.213 887 D C 0.913 177.292 176.300 0.131 0.000 1.135 887 D CA 0.168 54.229 54.000 0.103 0.000 0.834 887 D CB 0.651 41.490 40.800 0.064 0.000 1.009 887 D HN 0.307 nan 8.370 nan 0.000 0.507 888 c N 1.946 120.608 118.600 0.104 0.000 2.269 888 c HA 0.157 4.744 4.570 0.028 0.000 0.378 888 c C 1.414 175.536 174.090 0.052 0.000 1.319 888 c CA -0.060 56.297 56.329 0.045 0.000 1.721 888 c CB -1.526 40.973 42.510 -0.019 0.000 1.998 888 c HN 0.328 nan 8.230 nan 0.000 0.582 889 E N -1.109 119.156 120.200 0.108 0.000 2.759 889 E HA 0.210 4.576 4.350 0.028 0.000 0.220 889 E C 0.916 177.602 176.600 0.143 0.000 0.974 889 E CA -0.050 56.412 56.400 0.104 0.000 1.148 889 E CB -0.027 29.712 29.700 0.065 0.000 1.059 889 E HN 0.554 nan 8.360 nan 0.000 0.493 890 I N 0.142 120.836 120.570 0.207 0.000 3.226 890 I HA 0.040 4.226 4.170 0.028 0.000 0.277 890 I C 0.808 177.052 176.117 0.212 0.000 1.243 890 I CA 0.199 61.596 61.300 0.161 0.000 1.459 890 I CB 0.008 38.044 38.000 0.061 0.000 1.093 890 I HN 0.063 nan 8.210 nan 0.000 0.453 891 F N 1.369 121.343 119.950 0.041 0.000 2.773 891 F HA -0.010 4.536 4.527 0.031 0.000 0.299 891 F C 0.995 176.832 175.800 0.061 0.000 1.204 891 F CA 0.745 58.776 58.000 0.051 0.000 1.454 891 F CB -0.324 38.685 39.000 0.015 0.000 1.117 891 F HN 0.087 nan 8.300 nan 0.000 0.590 892 E N 0.097 120.418 120.200 0.202 0.000 3.124 892 E HA 0.529 4.896 4.350 0.028 0.000 0.331 892 E C -1.338 175.325 176.600 0.105 0.000 1.139 892 E CA -0.135 56.348 56.400 0.138 0.000 0.949 892 E CB 0.017 29.792 29.700 0.125 0.000 1.423 892 E HN 0.040 nan 8.360 nan 0.000 0.388 893 A N 2.250 125.133 122.820 0.105 0.000 2.566 893 A HA 0.561 4.898 4.320 0.028 0.000 0.297 893 A C -2.751 174.891 177.584 0.095 0.000 1.059 893 A CA -1.273 50.817 52.037 0.088 0.000 0.691 893 A CB 1.274 20.325 19.000 0.084 0.000 1.282 893 A HN 0.206 nan 8.150 nan 0.000 0.401 894 P HA 0.075 nan 4.420 nan 0.000 0.254 894 P C -0.206 177.150 177.300 0.093 0.000 1.467 894 P CA 1.021 64.166 63.100 0.075 0.000 1.281 894 P CB 0.754 32.484 31.700 0.052 0.000 1.754 895 E N 4.273 124.553 120.200 0.132 0.000 3.823 895 E HA 0.092 4.459 4.350 0.028 0.000 0.225 895 E C -1.265 175.455 176.600 0.199 0.000 1.257 895 E CA 0.150 56.670 56.400 0.200 0.000 1.684 895 E CB -0.679 29.184 29.700 0.272 0.000 1.550 895 E HN 0.107 nan 8.360 nan 0.000 0.709 896 P HA 0.026 nan 4.420 nan 0.000 0.227 896 P C 1.440 178.722 177.300 -0.030 0.000 1.161 896 P CA 1.050 64.164 63.100 0.022 0.000 0.788 896 P CB 0.209 31.888 31.700 -0.036 0.000 0.822 897 M N -0.402 119.214 119.600 0.027 0.000 2.102 897 M HA -0.055 4.442 4.480 0.028 0.000 0.259 897 M C 2.419 178.740 176.300 0.035 0.000 1.083 897 M CA 2.093 57.411 55.300 0.029 0.000 1.141 897 M CB -1.666 30.968 32.600 0.057 0.000 1.318 897 M HN -0.135 nan 8.290 nan 0.000 0.421 898 T N 0.546 115.129 114.554 0.049 0.000 3.003 898 T HA -0.155 4.211 4.350 0.028 0.000 0.270 898 T C 1.530 176.253 174.700 0.038 0.000 1.153 898 T CA 1.040 63.173 62.100 0.055 0.000 1.089 898 T CB -0.032 68.858 68.868 0.037 0.000 0.838 898 T HN 0.148 nan 8.240 nan 0.000 0.562 899 M N -0.459 119.125 119.600 -0.027 0.000 2.556 899 M HA 0.358 4.855 4.480 0.028 0.000 0.264 899 M C 2.652 178.921 176.300 -0.052 0.000 1.163 899 M CA 1.046 56.284 55.300 -0.103 0.000 1.186 899 M CB -1.145 31.259 32.600 -0.325 0.000 1.321 899 M HN 0.368 nan 8.290 nan 0.000 0.485 900 A N 0.914 123.709 122.820 -0.042 0.000 1.835 900 A HA -0.185 4.152 4.320 0.028 0.000 0.215 900 A C 2.174 179.773 177.584 0.026 0.000 1.199 900 A CA 1.751 53.776 52.037 -0.021 0.000 0.615 900 A CB -1.307 17.678 19.000 -0.024 0.000 0.838 900 A HN 0.506 nan 8.150 nan 0.000 0.444 901 L N -0.402 120.861 121.223 0.066 0.000 2.034 901 L HA -0.251 4.106 4.340 0.028 0.000 0.217 901 L C 2.535 179.473 176.870 0.115 0.000 1.077 901 L CA 2.587 57.494 54.840 0.112 0.000 0.769 901 L CB -0.417 41.748 42.059 0.176 0.000 0.890 901 L HN 0.404 nan 8.230 nan 0.000 0.435 902 S N -0.990 114.815 115.700 0.176 0.000 2.359 902 S HA -0.173 4.314 4.470 0.028 0.000 0.224 902 S C 1.850 176.490 174.600 0.066 0.000 1.035 902 S CA 1.550 59.875 58.200 0.209 0.000 1.018 902 S CB -0.387 63.062 63.200 0.415 0.000 0.876 902 S HN 0.403 nan 8.310 nan 0.000 0.448 903 V N 2.110 122.051 119.914 0.046 0.000 2.343 903 V HA -0.129 4.008 4.120 0.028 0.000 0.247 903 V C 2.379 178.465 176.094 -0.012 0.000 1.051 903 V CA 1.759 64.060 62.300 0.000 0.000 1.036 903 V CB -0.786 31.024 31.823 -0.021 0.000 0.654 903 V HN 0.470 nan 8.190 nan 0.000 0.451 904 L N 0.532 121.751 121.223 -0.006 0.000 1.956 904 L HA -0.159 4.198 4.340 0.028 0.000 0.216 904 L C 2.305 179.163 176.870 -0.019 0.000 1.073 904 L CA 2.101 56.936 54.840 -0.007 0.000 0.762 904 L CB -0.693 41.373 42.059 0.012 0.000 0.889 904 L HN 0.166 nan 8.230 nan 0.000 0.433 905 V N -0.588 119.296 119.914 -0.049 0.000 3.140 905 V HA -0.225 3.912 4.120 0.028 0.000 0.269 905 V C 2.146 178.189 176.094 -0.085 0.000 1.149 905 V CA 1.790 64.032 62.300 -0.096 0.000 1.162 905 V CB -1.317 30.355 31.823 -0.251 0.000 0.756 905 V HN 0.604 nan 8.190 nan 0.000 0.523 906 T N 0.593 115.116 114.554 -0.053 0.000 3.021 906 T HA 0.120 4.487 4.350 0.028 0.000 0.245 906 T C 1.785 176.486 174.700 0.002 0.000 1.028 906 T CA 1.107 63.189 62.100 -0.030 0.000 1.139 906 T CB -0.009 68.840 68.868 -0.031 0.000 0.884 906 T HN 0.590 nan 8.240 nan 0.000 0.457 907 I N 0.146 120.725 120.570 0.014 0.000 2.493 907 I HA 0.021 4.208 4.170 0.028 0.000 0.254 907 I C 2.269 178.427 176.117 0.068 0.000 1.160 907 I CA 1.174 62.503 61.300 0.049 0.000 1.445 907 I CB -0.452 37.581 38.000 0.056 0.000 1.086 907 I HN -0.017 nan 8.210 nan 0.000 0.433 908 E N 1.442 121.677 120.200 0.058 0.000 2.072 908 E HA -0.094 4.273 4.350 0.028 0.000 0.190 908 E C 2.270 178.975 176.600 0.176 0.000 0.982 908 E CA 1.188 57.653 56.400 0.109 0.000 0.803 908 E CB -0.239 29.492 29.700 0.052 0.000 0.755 908 E HN 0.457 nan 8.360 nan 0.000 0.453 909 M N -0.127 119.530 119.600 0.096 0.000 2.279 909 M HA -0.131 4.366 4.480 0.028 0.000 0.264 909 M C 2.287 178.622 176.300 0.058 0.000 1.062 909 M CA 0.843 56.185 55.300 0.071 0.000 1.099 909 M CB -1.231 31.384 32.600 0.025 0.000 1.394 909 M HN 0.144 nan 8.290 nan 0.000 0.426 910 C N -0.419 118.918 119.300 0.061 0.000 2.533 910 C HA 0.041 4.518 4.460 0.028 0.000 0.272 910 C C 2.417 177.442 174.990 0.059 0.000 1.371 910 C CA 0.283 59.327 59.018 0.042 0.000 1.758 910 C CB -1.239 26.521 27.740 0.034 0.000 1.972 910 C HN 0.562 nan 8.230 nan 0.000 0.522 911 N N 1.356 120.131 118.700 0.125 0.000 2.376 911 N HA 0.042 4.798 4.740 0.028 0.000 0.177 911 N C 1.740 177.366 175.510 0.194 0.000 1.024 911 N CA 1.202 54.362 53.050 0.184 0.000 0.893 911 N CB -0.148 38.489 38.487 0.251 0.000 0.980 911 N HN 0.406 nan 8.380 nan 0.000 0.439 912 A N 0.506 123.402 122.820 0.127 0.000 1.933 912 A HA -0.058 4.279 4.320 0.028 0.000 0.218 912 A C 2.105 179.579 177.584 -0.184 0.000 1.175 912 A CA 0.947 52.790 52.037 -0.324 0.000 0.628 912 A CB -0.691 18.127 19.000 -0.302 0.000 0.814 912 A HN 0.326 nan 8.150 nan 0.000 0.444 913 L N -0.268 120.915 121.223 -0.067 0.000 2.141 913 L HA -0.132 4.225 4.340 0.028 0.000 0.209 913 L C 1.528 178.368 176.870 -0.050 0.000 1.094 913 L CA 0.878 55.684 54.840 -0.056 0.000 0.763 913 L CB -0.658 41.384 42.059 -0.030 0.000 0.908 913 L HN 0.345 nan 8.230 nan 0.000 0.437 914 N N -0.359 118.330 118.700 -0.020 0.000 2.571 914 N HA -0.056 4.701 4.740 0.028 0.000 0.189 914 N C 0.376 175.888 175.510 0.005 0.000 1.154 914 N CA 0.486 53.527 53.050 -0.016 0.000 0.907 914 N CB 0.181 38.667 38.487 -0.002 0.000 0.977 914 N HN 0.115 nan 8.380 nan 0.000 0.449 915 S N 0.440 116.131 115.700 -0.015 0.000 2.143 915 S HA 0.400 4.887 4.470 0.028 0.000 0.188 915 S C 0.968 175.530 174.600 -0.062 0.000 1.431 915 S CA -0.374 57.819 58.200 -0.012 0.000 1.253 915 S CB 0.291 63.471 63.200 -0.032 0.000 1.137 915 S HN 0.172 nan 8.310 nan 0.000 0.457 916 L N -0.355 120.840 121.223 -0.047 0.000 3.017 916 L HA 0.384 4.741 4.340 0.028 0.000 0.265 916 L C 0.852 177.699 176.870 -0.038 0.000 1.128 916 L CA 0.149 54.958 54.840 -0.052 0.000 0.984 916 L CB 0.797 42.814 42.059 -0.069 0.000 1.464 916 L HN 0.425 nan 8.230 nan 0.000 0.556 917 S N -1.006 114.677 115.700 -0.027 0.000 3.070 917 S HA 0.353 4.840 4.470 0.028 0.000 0.320 917 S C -0.448 174.155 174.600 0.005 0.000 1.215 917 S CA -0.261 57.931 58.200 -0.013 0.000 0.956 917 S CB 1.609 64.797 63.200 -0.020 0.000 1.337 917 S HN 0.187 nan 8.310 nan 0.000 0.639 918 E N -0.893 119.318 120.200 0.019 0.000 2.614 918 E HA 0.258 4.625 4.350 0.028 0.000 0.192 918 E C -0.313 176.324 176.600 0.060 0.000 0.930 918 E CA 0.081 56.501 56.400 0.034 0.000 1.346 918 E CB 0.137 29.868 29.700 0.052 0.000 1.252 918 E HN 0.498 nan 8.360 nan 0.000 0.647 919 N N -0.302 118.435 118.700 0.062 0.000 2.357 919 N HA 0.030 4.787 4.740 0.028 0.000 0.260 919 N C -0.270 175.303 175.510 0.104 0.000 1.035 919 N CA 0.016 53.126 53.050 0.100 0.000 0.839 919 N CB 0.345 38.889 38.487 0.094 0.000 1.723 919 N HN 0.012 nan 8.380 nan 0.000 0.617 920 Q N 1.852 121.686 119.800 0.057 0.000 2.304 920 Q HA 0.332 4.689 4.340 0.028 0.000 0.260 920 Q C -0.023 175.962 176.000 -0.025 0.000 0.965 920 Q CA 0.091 55.913 55.803 0.032 0.000 0.898 920 Q CB 1.088 29.828 28.738 0.004 0.000 1.196 920 Q HN 0.111 nan 8.270 nan 0.000 0.402 921 S N 1.644 117.297 115.700 -0.077 0.000 2.612 921 S HA 0.004 4.491 4.470 0.028 0.000 0.253 921 S C 1.029 175.543 174.600 -0.144 0.000 1.346 921 S CA -0.415 57.687 58.200 -0.163 0.000 0.976 921 S CB 0.293 63.296 63.200 -0.328 0.000 0.949 921 S HN 0.457 nan 8.310 nan 0.000 0.584 922 L N 0.707 121.839 121.223 -0.151 0.000 2.599 922 L HA 0.111 4.467 4.340 0.028 0.000 0.230 922 L C 1.932 178.695 176.870 -0.179 0.000 1.141 922 L CA 0.812 55.559 54.840 -0.156 0.000 0.877 922 L CB -0.533 41.454 42.059 -0.120 0.000 1.009 922 L HN 0.514 nan 8.230 nan 0.000 0.447 923 M N -1.105 118.401 119.600 -0.158 0.000 2.288 923 M HA 0.002 4.499 4.480 0.028 0.000 0.266 923 M C 2.043 178.267 176.300 -0.126 0.000 1.072 923 M CA 1.391 56.615 55.300 -0.126 0.000 1.132 923 M CB -0.679 31.847 32.600 -0.123 0.000 1.386 923 M HN 0.201 nan 8.290 nan 0.000 0.432 924 R N -1.183 119.242 120.500 -0.125 0.000 2.237 924 R HA 0.220 4.577 4.340 0.028 0.000 0.195 924 R C 0.402 176.618 176.300 -0.140 0.000 0.956 924 R CA 0.223 56.264 56.100 -0.098 0.000 1.029 924 R CB 0.551 30.821 30.300 -0.050 0.000 0.972 924 R HN 0.168 nan 8.270 nan 0.000 0.493 925 M N 1.631 121.124 119.600 -0.178 0.000 2.808 925 M HA 0.302 4.799 4.480 0.028 0.000 0.225 925 M C -2.589 173.510 176.300 -0.336 0.000 1.103 925 M CA -3.005 52.168 55.300 -0.211 0.000 0.982 925 M CB 1.127 33.642 32.600 -0.141 0.000 1.314 925 M HN -0.321 nan 8.290 nan 0.000 0.505 926 P HA 0.007 nan 4.420 nan 0.000 0.255 926 P C -1.976 174.854 177.300 -0.783 0.000 1.173 926 P CA -0.418 62.035 63.100 -1.078 0.000 0.780 926 P CB -0.027 30.477 31.700 -1.993 0.000 0.758 927 P HA -0.111 nan 4.420 nan 0.000 0.249 927 P C -0.004 177.310 177.300 0.022 0.000 1.227 927 P CA 0.873 63.898 63.100 -0.124 0.000 0.753 927 P CB -0.553 31.138 31.700 -0.015 0.000 0.966 928 W N -4.129 117.168 121.300 -0.006 0.000 2.870 928 W HA 0.335 5.007 4.660 0.020 0.000 0.358 928 W C 0.801 177.326 176.519 0.009 0.000 1.043 928 W CA -0.184 57.159 57.345 -0.002 0.000 1.692 928 W CB -1.039 28.416 29.460 -0.008 0.000 1.100 928 W HN -0.376 nan 8.180 nan 0.000 0.557 929 V N 2.195 121.997 119.914 -0.187 0.000 2.244 929 V HA -0.265 3.872 4.120 0.028 0.000 0.244 929 V C 1.558 177.676 176.094 0.039 0.000 1.042 929 V CA 1.969 64.210 62.300 -0.100 0.000 1.006 929 V CB -0.858 30.855 31.823 -0.183 0.000 0.641 929 V HN 0.292 nan 8.190 nan 0.000 0.446 930 N N 1.678 120.398 118.700 0.034 0.000 2.744 930 N HA -0.020 4.737 4.740 0.028 0.000 0.290 930 N C 1.030 176.628 175.510 0.147 0.000 1.206 930 N CA 0.040 53.149 53.050 0.099 0.000 1.119 930 N CB 0.178 38.713 38.487 0.080 0.000 1.449 930 N HN 0.216 nan 8.380 nan 0.000 0.514 931 I N 0.760 121.433 120.570 0.171 0.000 2.236 931 I HA -0.277 3.910 4.170 0.028 0.000 0.249 931 I C 1.369 177.540 176.117 0.091 0.000 1.102 931 I CA 1.120 62.500 61.300 0.135 0.000 1.365 931 I CB -0.912 37.165 38.000 0.129 0.000 1.051 931 I HN 0.511 nan 8.210 nan 0.000 0.420 932 W N 0.177 121.467 121.300 -0.017 0.000 2.800 932 W HA -0.039 4.637 4.660 0.026 0.000 0.249 932 W C 2.255 178.783 176.519 0.014 0.000 1.294 932 W CA 0.163 57.490 57.345 -0.030 0.000 1.402 932 W CB -0.525 28.879 29.460 -0.094 0.000 1.126 932 W HN 0.084 nan 8.180 nan 0.000 0.652 933 L N -0.039 121.299 121.223 0.192 0.000 2.049 933 L HA -0.045 4.312 4.340 0.028 0.000 0.203 933 L C 2.070 178.970 176.870 0.049 0.000 1.074 933 L CA 1.903 56.807 54.840 0.106 0.000 0.749 933 L CB -1.058 41.040 42.059 0.065 0.000 0.907 933 L HN -0.069 nan 8.230 nan 0.000 0.439 934 L N -0.397 120.849 121.223 0.039 0.000 2.012 934 L HA -0.135 4.222 4.340 0.028 0.000 0.210 934 L C 2.489 179.343 176.870 -0.026 0.000 1.073 934 L CA 1.333 56.182 54.840 0.015 0.000 0.748 934 L CB -1.648 40.431 42.059 0.032 0.000 0.891 934 L HN 0.476 nan 8.230 nan 0.000 0.431 935 G N -0.443 108.312 108.800 -0.075 0.000 2.537 935 G HA2 -0.259 3.718 3.960 0.028 0.000 0.220 935 G HA3 -0.259 3.718 3.960 0.028 0.000 0.220 935 G C 1.698 176.542 174.900 -0.094 0.000 1.111 935 G CA 1.196 46.206 45.100 -0.149 0.000 0.748 935 G HN 0.554 nan 8.290 nan 0.000 0.564 936 S N -0.366 115.316 115.700 -0.029 0.000 2.566 936 S HA 0.153 4.640 4.470 0.028 0.000 0.234 936 S C 2.196 176.790 174.600 -0.009 0.000 1.075 936 S CA 0.212 58.409 58.200 -0.004 0.000 0.926 936 S CB -0.227 62.997 63.200 0.041 0.000 0.811 936 S HN 0.233 nan 8.310 nan 0.000 0.518 937 I N 1.981 122.549 120.570 -0.004 0.000 2.151 937 I HA -0.266 3.921 4.170 0.028 0.000 0.243 937 I C 2.520 178.627 176.117 -0.017 0.000 1.080 937 I CA 1.318 62.615 61.300 -0.005 0.000 1.339 937 I CB -0.812 37.189 38.000 0.002 0.000 1.039 937 I HN 0.414 nan 8.210 nan 0.000 0.409 938 C N 0.257 119.544 119.300 -0.022 0.000 2.432 938 C HA -0.129 4.348 4.460 0.028 0.000 0.277 938 C C 2.619 177.590 174.990 -0.032 0.000 1.249 938 C CA 0.294 59.295 59.018 -0.027 0.000 1.725 938 C CB -0.938 26.784 27.740 -0.030 0.000 2.028 938 C HN 0.497 nan 8.230 nan 0.000 0.477 939 L N 0.480 121.685 121.223 -0.030 0.000 2.622 939 L HA 0.018 4.375 4.340 0.028 0.000 0.233 939 L C 2.285 179.150 176.870 -0.009 0.000 1.156 939 L CA 1.246 56.075 54.840 -0.019 0.000 0.866 939 L CB -0.613 41.432 42.059 -0.023 0.000 0.980 939 L HN 0.297 nan 8.230 nan 0.000 0.448 940 S N -1.398 114.291 115.700 -0.018 0.000 2.387 940 S HA -0.001 4.486 4.470 0.028 0.000 0.221 940 S C 1.842 176.444 174.600 0.003 0.000 1.041 940 S CA 0.639 58.830 58.200 -0.016 0.000 0.959 940 S CB 0.022 63.209 63.200 -0.022 0.000 0.843 940 S HN 0.387 nan 8.310 nan 0.000 0.488 941 M N 1.146 120.713 119.600 -0.055 0.000 2.288 941 M HA 0.108 4.605 4.480 0.028 0.000 0.266 941 M C 2.335 178.485 176.300 -0.250 0.000 1.072 941 M CA 0.791 55.998 55.300 -0.156 0.000 1.132 941 M CB -1.561 30.911 32.600 -0.214 0.000 1.386 941 M HN 0.395 nan 8.290 nan 0.000 0.432 942 S N 0.458 116.085 115.700 -0.122 0.000 2.493 942 S HA -0.027 4.460 4.470 0.028 0.000 0.243 942 S C 1.613 176.215 174.600 0.003 0.000 0.991 942 S CA 0.794 58.956 58.200 -0.063 0.000 0.957 942 S CB -0.053 63.138 63.200 -0.014 0.000 0.756 942 S HN 0.506 nan 8.310 nan 0.000 0.521 943 L N -0.397 120.871 121.223 0.075 0.000 2.731 943 L HA 0.283 4.640 4.340 0.028 0.000 0.240 943 L C 1.932 178.944 176.870 0.237 0.000 1.120 943 L CA 0.234 55.204 54.840 0.216 0.000 0.913 943 L CB -0.189 42.117 42.059 0.412 0.000 1.213 943 L HN 0.313 nan 8.230 nan 0.000 0.515 944 H N 0.322 119.398 119.070 0.011 0.000 2.436 944 H HA -0.017 4.558 4.556 0.032 0.000 0.294 944 H C 1.891 177.195 175.328 -0.039 0.000 1.048 944 H CA 1.510 57.538 56.048 -0.033 0.000 1.353 944 H CB 0.044 29.735 29.762 -0.120 0.000 1.414 944 H HN 0.222 nan 8.280 nan 0.000 0.536 945 F N -0.996 118.833 119.950 -0.201 0.000 2.270 945 F HA -0.052 4.491 4.527 0.026 0.000 0.295 945 F C 2.111 177.741 175.800 -0.283 0.000 1.087 945 F CA -0.023 57.765 58.000 -0.354 0.000 1.365 945 F CB 0.044 38.783 39.000 -0.435 0.000 1.056 945 F HN 0.176 nan 8.300 nan 0.000 0.506 946 L N 1.331 122.537 121.223 -0.029 0.000 2.349 946 L HA -0.132 4.225 4.340 0.028 0.000 0.220 946 L C 1.478 178.215 176.870 -0.221 0.000 1.130 946 L CA 1.587 56.375 54.840 -0.086 0.000 0.791 946 L CB -0.636 41.394 42.059 -0.048 0.000 0.918 946 L HN 0.237 nan 8.230 nan 0.000 0.444 947 I N -5.212 115.128 120.570 -0.383 0.000 3.877 947 I HA 0.219 4.405 4.170 0.028 0.000 0.332 947 I C 0.896 176.746 176.117 -0.445 0.000 1.525 947 I CA -0.065 60.828 61.300 -0.678 0.000 1.146 947 I CB 0.324 37.493 38.000 -1.385 0.000 1.137 947 I HN 0.079 nan 8.210 nan 0.000 0.424 948 L N -0.933 120.165 121.223 -0.209 0.000 3.017 948 L HA 0.365 4.722 4.340 0.028 0.000 0.265 948 L C 1.090 177.993 176.870 0.055 0.000 1.128 948 L CA 0.838 55.622 54.840 -0.093 0.000 0.984 948 L CB 0.206 42.215 42.059 -0.084 0.000 1.464 948 L HN 0.118 nan 8.230 nan 0.000 0.556 949 Y N -1.468 118.713 120.300 -0.199 0.000 2.583 949 Y HA 0.339 4.905 4.550 0.027 0.000 0.270 949 Y C 0.995 176.815 175.900 -0.132 0.000 1.113 949 Y CA -0.101 57.896 58.100 -0.170 0.000 1.307 949 Y CB -0.032 38.325 38.460 -0.171 0.000 1.369 949 Y HN -0.391 nan 8.280 nan 0.000 0.506 950 V N 4.034 123.984 119.914 0.060 0.000 2.399 950 V HA -0.108 4.029 4.120 0.028 0.000 0.245 950 V C 0.725 176.796 176.094 -0.038 0.000 1.089 950 V CA 0.098 62.398 62.300 -0.001 0.000 1.196 950 V CB -0.853 30.962 31.823 -0.015 0.000 1.221 950 V HN 0.424 nan 8.190 nan 0.000 0.482 951 D N 5.563 125.939 120.400 -0.041 0.000 2.558 951 D HA -0.247 4.410 4.640 0.028 0.000 0.190 951 D C -0.329 175.953 176.300 -0.031 0.000 1.047 951 D CA 2.164 56.137 54.000 -0.044 0.000 0.880 951 D CB -1.358 39.419 40.800 -0.038 0.000 0.926 951 D HN 0.483 nan 8.370 nan 0.000 0.465 952 P HA -0.124 nan 4.420 nan 0.000 0.219 952 P C 1.576 178.880 177.300 0.007 0.000 1.144 952 P CA 0.995 64.093 63.100 -0.002 0.000 0.806 952 P CB -0.019 31.682 31.700 0.002 0.000 0.771 953 L N -1.069 120.128 121.223 -0.044 0.000 2.379 953 L HA 0.169 4.526 4.340 0.028 0.000 0.190 953 L C -0.683 176.125 176.870 -0.104 0.000 1.111 953 L CA 0.446 55.226 54.840 -0.101 0.000 0.820 953 L CB -1.833 40.038 42.059 -0.312 0.000 1.046 953 L HN -0.117 nan 8.230 nan 0.000 0.485 954 P HA -0.255 nan 4.420 nan 0.000 0.221 954 P C 1.492 178.795 177.300 0.006 0.000 1.141 954 P CA 1.816 64.844 63.100 -0.120 0.000 0.794 954 P CB 0.015 31.644 31.700 -0.119 0.000 0.764 955 M N 0.233 119.854 119.600 0.034 0.000 2.155 955 M HA -0.027 4.470 4.480 0.028 0.000 0.258 955 M C 2.232 178.591 176.300 0.097 0.000 1.092 955 M CA 1.433 56.762 55.300 0.049 0.000 1.153 955 M CB -0.434 32.179 32.600 0.023 0.000 1.316 955 M HN -0.213 nan 8.290 nan 0.000 0.431 956 I N -1.864 118.785 120.570 0.133 0.000 2.953 956 I HA -0.196 3.991 4.170 0.028 0.000 0.271 956 I C 0.830 176.992 176.117 0.075 0.000 1.286 956 I CA 1.174 62.535 61.300 0.100 0.000 1.449 956 I CB -0.765 37.289 38.000 0.090 0.000 1.086 956 I HN 0.180 nan 8.210 nan 0.000 0.483 957 F N 1.367 121.286 119.950 -0.051 0.000 2.721 957 F HA 0.275 4.818 4.527 0.027 0.000 0.301 957 F C 0.761 176.553 175.800 -0.013 0.000 1.096 957 F CA -0.444 57.529 58.000 -0.044 0.000 1.308 957 F CB 0.060 39.002 39.000 -0.097 0.000 1.086 957 F HN -0.065 nan 8.300 nan 0.000 0.587 958 K N 0.856 121.344 120.400 0.148 0.000 3.181 958 K HA -0.142 4.195 4.320 0.028 0.000 0.269 958 K C -1.189 175.468 176.600 0.094 0.000 1.097 958 K CA 0.382 56.724 56.287 0.093 0.000 0.783 958 K CB -1.837 30.708 32.500 0.074 0.000 1.267 958 K HN 0.261 nan 8.250 nan 0.000 0.484 959 L N -1.165 120.107 121.223 0.081 0.000 2.341 959 L HA 0.696 5.053 4.340 0.028 0.000 0.254 959 L C -0.270 176.595 176.870 -0.009 0.000 1.040 959 L CA -1.349 53.516 54.840 0.042 0.000 0.837 959 L CB 2.159 44.243 42.059 0.041 0.000 1.425 959 L HN -0.203 nan 8.230 nan 0.000 0.414 960 K N 0.774 121.154 120.400 -0.033 0.000 2.557 960 K HA 0.449 4.786 4.320 0.028 0.000 0.257 960 K C -1.082 175.450 176.600 -0.114 0.000 0.933 960 K CA -0.602 55.639 56.287 -0.077 0.000 0.820 960 K CB 2.242 34.709 32.500 -0.054 0.000 1.330 960 K HN 0.719 nan 8.250 nan 0.000 0.432 961 A N 4.636 127.340 122.820 -0.194 0.000 2.522 961 A HA -0.009 4.328 4.320 0.028 0.000 0.285 961 A C 0.451 177.906 177.584 -0.215 0.000 1.222 961 A CA 0.380 52.259 52.037 -0.263 0.000 0.931 961 A CB -1.168 17.479 19.000 -0.589 0.000 1.003 961 A HN 0.539 nan 8.150 nan 0.000 0.560 962 L N 2.405 123.523 121.223 -0.175 0.000 2.490 962 L HA 0.038 4.395 4.340 0.028 0.000 0.274 962 L C 1.083 177.905 176.870 -0.081 0.000 1.201 962 L CA -0.348 54.440 54.840 -0.086 0.000 0.869 962 L CB 0.196 42.253 42.059 -0.003 0.000 1.123 962 L HN 0.637 nan 8.230 nan 0.000 0.484 963 D N 2.217 122.625 120.400 0.014 0.000 2.443 963 D HA -0.028 4.629 4.640 0.028 0.000 0.239 963 D C 0.775 177.168 176.300 0.155 0.000 1.136 963 D CA -0.268 53.760 54.000 0.046 0.000 0.879 963 D CB 1.249 42.096 40.800 0.078 0.000 1.195 963 D HN 0.313 nan 8.370 nan 0.000 0.443 964 L N 3.344 124.665 121.223 0.163 0.000 2.642 964 L HA -0.085 4.271 4.340 0.028 0.000 0.236 964 L C 2.313 179.345 176.870 0.270 0.000 1.169 964 L CA 1.059 56.101 54.840 0.336 0.000 0.851 964 L CB -0.565 41.654 42.059 0.267 0.000 0.968 964 L HN 0.427 nan 8.230 nan 0.000 0.453 965 T N -1.269 113.405 114.554 0.200 0.000 2.953 965 T HA -0.097 4.270 4.350 0.028 0.000 0.247 965 T C 1.709 176.533 174.700 0.207 0.000 1.029 965 T CA 0.976 63.176 62.100 0.167 0.000 1.144 965 T CB 0.019 68.966 68.868 0.131 0.000 0.870 965 T HN 0.529 nan 8.240 nan 0.000 0.446 966 Q N -0.654 119.293 119.800 0.245 0.000 2.424 966 Q HA 0.015 4.372 4.340 0.028 0.000 0.204 966 Q C 1.766 177.849 176.000 0.139 0.000 0.933 966 Q CA 0.361 56.314 55.803 0.250 0.000 0.929 966 Q CB -0.295 28.620 28.738 0.295 0.000 1.037 966 Q HN 0.576 nan 8.270 nan 0.000 0.511 967 W N 0.946 122.249 121.300 0.005 0.000 3.197 967 W HA 0.209 4.901 4.660 0.054 0.000 0.274 967 W C 1.069 177.607 176.519 0.031 0.000 1.297 967 W CA -0.258 57.090 57.345 0.005 0.000 1.662 967 W CB 0.319 29.806 29.460 0.044 0.000 1.106 967 W HN 0.203 nan 8.180 nan 0.000 0.663 968 L N 1.108 122.357 121.223 0.044 0.000 2.478 968 L HA 0.024 4.380 4.340 0.028 0.000 0.223 968 L C 2.031 178.862 176.870 -0.065 0.000 1.140 968 L CA 1.394 56.196 54.840 -0.064 0.000 0.842 968 L CB -0.479 41.599 42.059 0.031 0.000 0.953 968 L HN 0.016 nan 8.230 nan 0.000 0.452 969 M N -1.868 117.723 119.600 -0.016 0.000 2.447 969 M HA 0.015 4.512 4.480 0.028 0.000 0.264 969 M C 1.657 177.917 176.300 -0.067 0.000 1.095 969 M CA 1.243 56.545 55.300 0.003 0.000 1.125 969 M CB -0.240 32.409 32.600 0.082 0.000 1.389 969 M HN 0.034 nan 8.290 nan 0.000 0.459 970 V N 0.176 120.009 119.914 -0.134 0.000 2.720 970 V HA -0.244 3.893 4.120 0.028 0.000 0.256 970 V C 2.175 178.188 176.094 -0.135 0.000 1.082 970 V CA 1.298 63.517 62.300 -0.136 0.000 1.101 970 V CB -1.097 30.623 31.823 -0.172 0.000 0.693 970 V HN 0.484 nan 8.190 nan 0.000 0.479 971 L N -0.763 120.365 121.223 -0.158 0.000 1.982 971 L HA -0.013 4.344 4.340 0.028 0.000 0.206 971 L C 2.356 179.189 176.870 -0.063 0.000 1.078 971 L CA 1.179 55.948 54.840 -0.120 0.000 0.749 971 L CB -0.691 41.287 42.059 -0.134 0.000 0.894 971 L HN 0.077 nan 8.230 nan 0.000 0.436 972 K N 0.391 120.759 120.400 -0.052 0.000 2.585 972 K HA -0.040 4.297 4.320 0.028 0.000 0.194 972 K C 1.477 178.057 176.600 -0.033 0.000 1.037 972 K CA 0.703 56.968 56.287 -0.036 0.000 0.964 972 K CB 0.032 32.509 32.500 -0.038 0.000 0.787 972 K HN 0.294 nan 8.250 nan 0.000 0.488 973 I N -0.780 119.771 120.570 -0.033 0.000 4.032 973 I HA -0.028 4.159 4.170 0.028 0.000 0.313 973 I C 0.909 177.020 176.117 -0.010 0.000 1.272 973 I CA 0.686 61.966 61.300 -0.033 0.000 1.307 973 I CB 0.455 38.434 38.000 -0.036 0.000 1.155 973 I HN -0.102 nan 8.210 nan 0.000 0.431 974 S N 0.633 116.334 115.700 0.002 0.000 2.655 974 S HA 0.114 4.601 4.470 0.028 0.000 0.231 974 S C 1.676 176.319 174.600 0.072 0.000 1.044 974 S CA -0.203 58.017 58.200 0.033 0.000 0.910 974 S CB -0.140 63.057 63.200 -0.005 0.000 0.833 974 S HN 0.199 nan 8.310 nan 0.000 0.581 975 L N 3.254 124.489 121.223 0.020 0.000 2.151 975 L HA -0.114 4.242 4.340 0.028 0.000 0.219 975 L C -1.078 175.806 176.870 0.023 0.000 1.083 975 L CA 2.038 56.885 54.840 0.010 0.000 0.782 975 L CB -1.857 40.192 42.059 -0.018 0.000 0.891 975 L HN 0.266 nan 8.230 nan 0.000 0.439 976 P HA -0.053 nan 4.420 nan 0.000 0.249 976 P C 1.756 179.030 177.300 -0.043 0.000 1.241 976 P CA 0.397 63.508 63.100 0.020 0.000 0.781 976 P CB 0.016 31.743 31.700 0.045 0.000 1.088 977 V N 0.496 120.434 119.914 0.040 0.000 2.407 977 V HA -0.209 3.928 4.120 0.028 0.000 0.248 977 V C 2.206 178.218 176.094 -0.137 0.000 1.055 977 V CA 1.428 63.694 62.300 -0.058 0.000 1.049 977 V CB -0.845 31.078 31.823 0.166 0.000 0.662 977 V HN -0.038 nan 8.190 nan 0.000 0.455 978 I N 0.719 121.247 120.570 -0.069 0.000 2.454 978 I HA -0.126 4.061 4.170 0.028 0.000 0.254 978 I C 2.485 178.541 176.117 -0.101 0.000 1.156 978 I CA 1.379 62.634 61.300 -0.075 0.000 1.433 978 I CB -0.954 37.018 38.000 -0.047 0.000 1.082 978 I HN 0.460 nan 8.210 nan 0.000 0.432 979 G N 1.166 109.898 108.800 -0.114 0.000 2.404 979 G HA2 -0.225 3.752 3.960 0.028 0.000 0.214 979 G HA3 -0.225 3.752 3.960 0.028 0.000 0.214 979 G C 1.606 176.429 174.900 -0.129 0.000 1.189 979 G CA 0.385 45.421 45.100 -0.106 0.000 0.789 979 G HN 0.247 nan 8.290 nan 0.000 0.533 980 L N 1.333 122.428 121.223 -0.214 0.000 2.012 980 L HA -0.053 4.304 4.340 0.028 0.000 0.210 980 L C 2.242 178.999 176.870 -0.188 0.000 1.073 980 L CA 2.788 57.483 54.840 -0.240 0.000 0.748 980 L CB -0.861 40.943 42.059 -0.425 0.000 0.891 980 L HN 0.386 nan 8.230 nan 0.000 0.431 981 D N -0.735 119.550 120.400 -0.193 0.000 2.137 981 D HA -0.313 4.343 4.640 0.028 0.000 0.193 981 D C 2.059 178.296 176.300 -0.105 0.000 0.993 981 D CA 1.703 55.604 54.000 -0.165 0.000 0.846 981 D CB -0.282 40.437 40.800 -0.135 0.000 0.990 981 D HN 0.371 nan 8.370 nan 0.000 0.448 982 E N -0.496 119.652 120.200 -0.088 0.000 2.208 982 E HA -0.176 4.191 4.350 0.028 0.000 0.202 982 E C 2.009 178.623 176.600 0.022 0.000 1.014 982 E CA 0.815 57.175 56.400 -0.066 0.000 0.819 982 E CB -0.302 29.331 29.700 -0.111 0.000 0.735 982 E HN 0.432 nan 8.360 nan 0.000 0.469 983 I N -0.084 120.498 120.570 0.019 0.000 2.110 983 I HA -0.241 3.946 4.170 0.028 0.000 0.236 983 I C 2.292 178.498 176.117 0.149 0.000 1.068 983 I CA 1.117 62.472 61.300 0.091 0.000 1.333 983 I CB -1.107 36.912 38.000 0.032 0.000 1.054 983 I HN 0.211 nan 8.210 nan 0.000 0.402 984 L N 0.242 121.510 121.223 0.076 0.000 2.191 984 L HA -0.200 4.157 4.340 0.028 0.000 0.212 984 L C 2.431 179.423 176.870 0.203 0.000 1.103 984 L CA 1.142 56.061 54.840 0.131 0.000 0.769 984 L CB -0.545 41.396 42.059 -0.197 0.000 0.908 984 L HN 0.265 nan 8.230 nan 0.000 0.438 985 K N -0.198 120.265 120.400 0.105 0.000 2.305 985 K HA -0.094 4.243 4.320 0.028 0.000 0.199 985 K C 1.822 178.582 176.600 0.267 0.000 1.047 985 K CA 0.751 57.114 56.287 0.126 0.000 0.976 985 K CB 0.170 32.682 32.500 0.020 0.000 0.765 985 K HN 0.216 nan 8.250 nan 0.000 0.474 986 F N 0.007 119.996 119.950 0.065 0.000 2.721 986 F HA 0.193 4.740 4.527 0.034 0.000 0.301 986 F C 1.351 177.196 175.800 0.076 0.000 1.096 986 F CA -0.294 57.738 58.000 0.054 0.000 1.308 986 F CB 0.567 39.584 39.000 0.028 0.000 1.086 986 F HN -0.059 nan 8.300 nan 0.000 0.587 987 I N -0.028 120.684 120.570 0.236 0.000 3.793 987 I HA 0.102 4.289 4.170 0.028 0.000 0.315 987 I C 1.859 178.020 176.117 0.073 0.000 1.275 987 I CA 0.382 61.755 61.300 0.121 0.000 1.214 987 I CB 0.057 38.181 38.000 0.207 0.000 1.018 987 I HN 0.074 nan 8.210 nan 0.000 0.439 988 A N 0.402 123.327 122.820 0.175 0.000 2.235 988 A HA 0.000 4.337 4.320 0.028 0.000 0.208 988 A C 2.160 179.777 177.584 0.055 0.000 1.172 988 A CA 0.427 52.554 52.037 0.150 0.000 0.786 988 A CB -0.393 18.752 19.000 0.242 0.000 0.804 988 A HN 0.389 nan 8.150 nan 0.000 0.479 989 R N -0.340 120.152 120.500 -0.013 0.000 2.055 989 R HA -0.045 4.311 4.340 0.028 0.000 0.226 989 R C 2.121 178.384 176.300 -0.062 0.000 1.135 989 R CA 1.148 57.208 56.100 -0.067 0.000 0.959 989 R CB -0.327 29.863 30.300 -0.184 0.000 0.854 989 R HN 0.589 nan 8.270 nan 0.000 0.431 990 N N 0.241 118.901 118.700 -0.067 0.000 2.188 990 N HA -0.164 4.593 4.740 0.028 0.000 0.184 990 N C -0.206 175.299 175.510 -0.007 0.000 1.018 990 N CA 0.936 53.959 53.050 -0.045 0.000 0.858 990 N CB 0.123 38.585 38.487 -0.043 0.000 0.989 990 N HN 0.068 nan 8.380 nan 0.000 0.426 991 Y N 1.835 121.996 120.300 -0.231 0.000 2.627 991 Y HA 0.227 4.797 4.550 0.032 0.000 0.347 991 Y C 0.319 176.121 175.900 -0.163 0.000 1.099 991 Y CA -0.188 57.751 58.100 -0.269 0.000 1.408 991 Y CB 0.023 38.173 38.460 -0.517 0.000 1.247 991 Y HN 0.028 nan 8.280 nan 0.000 0.506 992 L N 4.046 125.199 121.223 -0.117 0.000 2.803 992 L HA 0.029 4.386 4.340 0.028 0.000 0.241 992 L C 1.079 177.914 176.870 -0.058 0.000 1.404 992 L CA 0.566 55.365 54.840 -0.068 0.000 1.211 992 L CB -0.182 41.829 42.059 -0.080 0.000 1.585 992 L HN 0.595 nan 8.230 nan 0.000 0.430 993 E N 0.325 120.520 120.200 -0.008 0.000 2.437 993 E HA 0.290 4.657 4.350 0.028 0.000 0.195 993 E C 0.487 177.143 176.600 0.095 0.000 1.029 993 E CA -0.156 56.270 56.400 0.042 0.000 0.948 993 E CB 0.462 30.229 29.700 0.111 0.000 1.082 993 E HN 0.558 nan 8.360 nan 0.000 0.456 994 G N 0.000 108.844 108.800 0.073 0.000 5.446 994 G HA2 0.000 3.977 3.960 0.028 0.000 0.244 994 G HA3 0.000 3.977 3.960 0.028 0.000 0.244 994 G CA 0.000 45.149 45.100 0.081 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925