REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1wpg_1_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 0.000 176.153 176.300 -0.245 0.000 1.140 1 M CA 0.000 55.065 55.300 -0.392 0.000 0.988 1 M CB 0.000 32.114 32.600 -0.810 0.000 1.302 2 E N 2.683 122.770 120.200 -0.187 0.000 2.318 2 E HA 0.615 4.965 4.350 0.001 0.000 0.265 2 E C 0.673 177.198 176.600 -0.124 0.000 1.069 2 E CA 0.786 57.134 56.400 -0.087 0.000 0.893 2 E CB 1.394 31.080 29.700 -0.023 0.000 1.076 2 E HN 0.993 nan 8.360 nan 0.000 0.414 3 A N 0.899 123.691 122.820 -0.046 0.000 2.799 3 A HA -0.281 4.039 4.320 0.001 0.000 0.287 3 A C 1.518 178.955 177.584 -0.245 0.000 1.484 3 A CA 1.308 53.260 52.037 -0.142 0.000 0.813 3 A CB -2.046 16.859 19.000 -0.158 0.000 1.009 3 A HN 0.687 nan 8.150 nan 0.000 0.545 4 A N 0.215 122.953 122.820 -0.137 0.000 1.972 4 A HA -0.133 4.187 4.320 0.001 0.000 0.219 4 A C 1.842 179.363 177.584 -0.106 0.000 1.169 4 A CA 1.952 53.907 52.037 -0.136 0.000 0.635 4 A CB -0.926 18.025 19.000 -0.081 0.000 0.810 4 A HN 1.547 nan 8.150 nan 0.000 0.446 5 H N -0.024 119.027 119.070 -0.031 0.000 2.421 5 H HA -0.067 4.490 4.556 0.001 0.000 0.298 5 H C 1.787 177.123 175.328 0.013 0.000 1.087 5 H CA 1.759 57.803 56.048 -0.008 0.000 1.330 5 H CB -0.630 29.144 29.762 0.020 0.000 1.388 5 H HN 0.552 nan 8.280 nan 0.000 0.526 6 S N -0.143 115.139 115.700 -0.696 0.000 2.558 6 S HA 0.140 4.610 4.470 0.001 0.000 0.217 6 S C 0.685 175.183 174.600 -0.170 0.000 0.975 6 S CA -0.506 57.468 58.200 -0.376 0.000 0.912 6 S CB 0.242 63.177 63.200 -0.442 0.000 0.776 6 S HN 0.268 nan 8.310 nan 0.000 0.526 7 K N 2.137 122.446 120.400 -0.152 0.000 2.095 7 K HA 0.474 4.795 4.320 0.001 0.000 0.252 7 K C 0.232 176.810 176.600 -0.036 0.000 0.977 7 K CA -0.409 55.828 56.287 -0.083 0.000 0.900 7 K CB 1.369 33.812 32.500 -0.094 0.000 1.060 7 K HN 0.355 nan 8.250 nan 0.000 0.449 8 S N -0.698 114.993 115.700 -0.015 0.000 2.645 8 S HA 0.023 4.494 4.470 0.001 0.000 0.266 8 S C 1.429 176.036 174.600 0.011 0.000 1.258 8 S CA -0.130 58.072 58.200 0.005 0.000 0.990 8 S CB 1.071 64.275 63.200 0.007 0.000 0.967 8 S HN 0.752 nan 8.310 nan 0.000 0.556 9 T N -0.737 113.829 114.554 0.020 0.000 2.708 9 T HA -0.152 4.199 4.350 0.001 0.000 0.266 9 T C 1.333 176.053 174.700 0.033 0.000 1.037 9 T CA 1.612 63.728 62.100 0.026 0.000 1.146 9 T CB -0.939 67.945 68.868 0.026 0.000 0.865 9 T HN 0.669 nan 8.240 nan 0.000 0.435 10 E N 1.747 121.964 120.200 0.027 0.000 2.049 10 E HA -0.148 4.203 4.350 0.001 0.000 0.198 10 E C 2.345 178.969 176.600 0.040 0.000 1.007 10 E CA 1.846 58.265 56.400 0.031 0.000 0.809 10 E CB -0.372 29.341 29.700 0.021 0.000 0.749 10 E HN 0.742 nan 8.360 nan 0.000 0.450 11 E N -0.266 119.953 120.200 0.031 0.000 2.085 11 E HA -0.192 4.158 4.350 0.001 0.000 0.194 11 E C 2.188 178.826 176.600 0.062 0.000 0.994 11 E CA 1.305 57.728 56.400 0.038 0.000 0.801 11 E CB -0.268 29.442 29.700 0.016 0.000 0.743 11 E HN 0.309 nan 8.360 nan 0.000 0.453 12 C N 0.814 120.143 119.300 0.048 0.000 2.440 12 C HA -0.066 4.395 4.460 0.001 0.000 0.278 12 C C 2.605 177.706 174.990 0.186 0.000 1.295 12 C CA 0.304 59.367 59.018 0.074 0.000 1.738 12 C CB -0.879 26.893 27.740 0.055 0.000 1.987 12 C HN 0.376 nan 8.230 nan 0.000 0.492 13 L N 1.099 122.409 121.223 0.145 0.000 2.027 13 L HA -0.105 4.236 4.340 0.001 0.000 0.206 13 L C 2.915 179.886 176.870 0.167 0.000 1.074 13 L CA 1.559 56.499 54.840 0.168 0.000 0.745 13 L CB -0.792 41.328 42.059 0.101 0.000 0.898 13 L HN 0.302 nan 8.230 nan 0.000 0.433 14 A N -0.786 122.099 122.820 0.110 0.000 1.972 14 A HA -0.292 4.028 4.320 0.001 0.000 0.219 14 A C 2.178 179.791 177.584 0.048 0.000 1.169 14 A CA 1.425 53.504 52.037 0.071 0.000 0.635 14 A CB -0.904 18.122 19.000 0.043 0.000 0.810 14 A HN 0.489 nan 8.150 nan 0.000 0.446 15 Y N -0.914 119.328 120.300 -0.096 0.000 2.207 15 Y HA -0.192 4.358 4.550 0.001 0.000 0.287 15 Y C 1.394 177.088 175.900 -0.343 0.000 1.156 15 Y CA 1.977 59.911 58.100 -0.277 0.000 1.182 15 Y CB -0.200 37.984 38.460 -0.460 0.000 0.979 15 Y HN 0.305 nan 8.280 nan 0.000 0.521 16 F N -0.640 119.422 119.950 0.186 0.000 2.678 16 F HA 0.323 4.851 4.527 0.001 0.000 0.305 16 F C 1.549 177.420 175.800 0.119 0.000 1.090 16 F CA 0.210 58.303 58.000 0.155 0.000 1.272 16 F CB 0.292 39.392 39.000 0.165 0.000 1.060 16 F HN 0.005 nan 8.300 nan 0.000 0.576 17 G N 2.359 111.282 108.800 0.205 0.000 2.372 17 G HA2 -0.133 3.827 3.960 0.001 0.000 0.297 17 G HA3 -0.133 3.827 3.960 0.001 0.000 0.297 17 G C -0.319 174.676 174.900 0.157 0.000 1.005 17 G CA 0.388 45.571 45.100 0.138 0.000 1.173 17 G HN 0.524 nan 8.290 nan 0.000 0.511 18 V N -2.382 117.633 119.914 0.169 0.000 2.914 18 V HA 0.974 5.094 4.120 0.001 0.000 0.314 18 V C 0.205 176.355 176.094 0.092 0.000 1.084 18 V CA -0.281 62.099 62.300 0.133 0.000 0.963 18 V CB 2.122 34.034 31.823 0.148 0.000 1.025 18 V HN 1.494 nan 8.190 nan 0.000 0.432 19 S N 0.951 116.690 115.700 0.064 0.000 2.525 19 S HA 0.428 4.898 4.470 0.001 0.000 0.290 19 S C 0.596 175.211 174.600 0.024 0.000 1.152 19 S CA 0.132 58.355 58.200 0.038 0.000 1.072 19 S CB 1.503 64.718 63.200 0.024 0.000 1.027 19 S HN 1.063 nan 8.310 nan 0.000 0.500 20 E N 1.955 122.159 120.200 0.007 0.000 2.338 20 E HA -0.100 4.250 4.350 0.001 0.000 0.197 20 E C 0.718 177.274 176.600 -0.074 0.000 1.007 20 E CA 1.173 57.561 56.400 -0.020 0.000 0.849 20 E CB -0.172 29.516 29.700 -0.020 0.000 0.774 20 E HN 0.837 nan 8.360 nan 0.000 0.506 21 T N -1.018 113.500 114.554 -0.059 0.000 3.057 21 T HA -0.043 4.307 4.350 0.001 0.000 0.254 21 T C 1.704 176.362 174.700 -0.070 0.000 1.094 21 T CA 1.218 63.264 62.100 -0.091 0.000 1.088 21 T CB 0.310 69.143 68.868 -0.057 0.000 0.934 21 T HN 0.334 nan 8.240 nan 0.000 0.497 22 T N -1.458 113.085 114.554 -0.017 0.000 3.075 22 T HA 0.547 4.898 4.350 0.001 0.000 0.251 22 T C 1.192 175.930 174.700 0.064 0.000 0.979 22 T CA 0.823 62.937 62.100 0.023 0.000 1.033 22 T CB 0.274 69.158 68.868 0.027 0.000 1.104 22 T HN 0.596 nan 8.240 nan 0.000 0.473 23 G N 1.489 110.324 108.800 0.059 0.000 2.660 23 G HA2 -0.031 3.930 3.960 0.001 0.000 0.247 23 G HA3 -0.031 3.930 3.960 0.001 0.000 0.247 23 G C -0.841 174.102 174.900 0.072 0.000 1.328 23 G CA -0.530 44.617 45.100 0.079 0.000 0.884 23 G HN 0.674 nan 8.290 nan 0.000 0.531 24 L N 1.246 122.512 121.223 0.071 0.000 2.439 24 L HA 0.456 4.796 4.340 0.001 0.000 0.269 24 L C 1.758 178.662 176.870 0.057 0.000 1.179 24 L CA 0.170 55.055 54.840 0.075 0.000 0.828 24 L CB 0.789 42.903 42.059 0.090 0.000 1.106 24 L HN 1.002 nan 8.230 nan 0.000 0.467 25 T N -1.165 113.416 114.554 0.045 0.000 2.899 25 T HA 0.252 4.602 4.350 0.001 0.000 0.284 25 T C -1.579 173.133 174.700 0.019 0.000 1.004 25 T CA -1.798 60.319 62.100 0.028 0.000 1.043 25 T CB 1.370 70.249 68.868 0.018 0.000 1.013 25 T HN 0.438 nan 8.240 nan 0.000 0.518 26 P HA -0.141 nan 4.420 nan 0.000 0.216 26 P C 0.961 178.259 177.300 -0.004 0.000 1.150 26 P CA 1.187 64.292 63.100 0.009 0.000 0.843 26 P CB 0.093 31.798 31.700 0.008 0.000 0.787 27 D N -0.216 120.177 120.400 -0.013 0.000 2.117 27 D HA -0.138 4.502 4.640 0.001 0.000 0.197 27 D C 2.261 178.523 176.300 -0.064 0.000 0.987 27 D CA 1.044 55.025 54.000 -0.032 0.000 0.829 27 D CB -0.298 40.483 40.800 -0.030 0.000 0.961 27 D HN 0.321 nan 8.370 nan 0.000 0.460 28 Q N 0.216 119.978 119.800 -0.063 0.000 2.084 28 Q HA -0.099 4.241 4.340 0.001 0.000 0.202 28 Q C 2.453 178.386 176.000 -0.112 0.000 0.978 28 Q CA 0.804 56.524 55.803 -0.139 0.000 0.844 28 Q CB 0.053 28.770 28.738 -0.036 0.000 0.898 28 Q HN 0.132 nan 8.270 nan 0.000 0.426 29 V N 1.523 121.439 119.914 0.004 0.000 2.255 29 V HA -0.314 3.806 4.120 0.001 0.000 0.247 29 V C 2.333 178.437 176.094 0.016 0.000 1.051 29 V CA 2.070 64.398 62.300 0.047 0.000 1.018 29 V CB -0.605 31.238 31.823 0.034 0.000 0.641 29 V HN 0.355 nan 8.190 nan 0.000 0.445 30 K N 0.013 120.403 120.400 -0.015 0.000 2.032 30 K HA -0.294 4.027 4.320 0.001 0.000 0.209 30 K C 2.349 178.923 176.600 -0.044 0.000 1.048 30 K CA 2.117 58.389 56.287 -0.024 0.000 0.927 30 K CB -0.152 32.334 32.500 -0.023 0.000 0.712 30 K HN 0.249 nan 8.250 nan 0.000 0.441 31 R N 0.356 120.802 120.500 -0.090 0.000 2.082 31 R HA -0.138 4.203 4.340 0.001 0.000 0.234 31 R C 2.012 178.253 176.300 -0.098 0.000 1.136 31 R CA 2.314 58.333 56.100 -0.135 0.000 0.935 31 R CB -0.790 29.370 30.300 -0.233 0.000 0.842 31 R HN 0.489 nan 8.270 nan 0.000 0.430 32 H N -1.013 118.065 119.070 0.013 0.000 2.387 32 H HA -0.090 4.467 4.556 0.001 0.000 0.299 32 H C 1.574 176.936 175.328 0.057 0.000 1.090 32 H CA 1.047 57.144 56.048 0.080 0.000 1.332 32 H CB 0.033 29.918 29.762 0.206 0.000 1.386 32 H HN 0.099 nan 8.280 nan 0.000 0.516 33 L N 1.137 122.425 121.223 0.107 0.000 2.362 33 L HA -0.091 4.250 4.340 0.001 0.000 0.219 33 L C 1.543 178.374 176.870 -0.065 0.000 1.134 33 L CA 1.474 56.298 54.840 -0.028 0.000 0.807 33 L CB -0.168 41.826 42.059 -0.108 0.000 0.927 33 L HN 0.242 nan 8.230 nan 0.000 0.447 34 E N -1.179 118.996 120.200 -0.041 0.000 2.140 34 E HA -0.141 4.209 4.350 0.001 0.000 0.191 34 E C 1.877 178.434 176.600 -0.071 0.000 0.973 34 E CA 0.466 56.837 56.400 -0.049 0.000 0.829 34 E CB 0.112 29.783 29.700 -0.049 0.000 0.781 34 E HN 0.373 nan 8.360 nan 0.000 0.466 35 K N 0.176 120.490 120.400 -0.143 0.000 2.076 35 K HA -0.067 4.253 4.320 0.001 0.000 0.204 35 K C 1.210 177.646 176.600 -0.274 0.000 1.051 35 K CA 1.059 57.170 56.287 -0.294 0.000 0.949 35 K CB 0.147 32.315 32.500 -0.554 0.000 0.726 35 K HN 0.153 nan 8.250 nan 0.000 0.443 36 Y N -0.060 120.275 120.300 0.059 0.000 2.458 36 Y HA 0.230 4.781 4.550 0.001 0.000 0.254 36 Y C 1.028 176.936 175.900 0.014 0.000 1.120 36 Y CA -0.218 57.907 58.100 0.042 0.000 1.282 36 Y CB 1.061 39.544 38.460 0.039 0.000 1.109 36 Y HN 0.303 nan 8.280 nan 0.000 0.526 37 G N 0.412 109.274 108.800 0.103 0.000 2.725 37 G HA2 -0.221 3.740 3.960 0.001 0.000 0.220 37 G HA3 -0.221 3.740 3.960 0.001 0.000 0.220 37 G C -0.900 173.981 174.900 -0.030 0.000 1.357 37 G CA -0.817 44.312 45.100 0.049 0.000 0.866 37 G HN 0.345 nan 8.290 nan 0.000 0.548 38 H N 0.323 119.435 119.070 0.069 0.000 2.511 38 H HA 0.286 4.843 4.556 0.001 0.000 0.346 38 H C 0.856 176.211 175.328 0.045 0.000 1.128 38 H CA 0.060 56.140 56.048 0.053 0.000 1.342 38 H CB 1.246 31.030 29.762 0.037 0.000 1.470 38 H HN 0.496 nan 8.280 nan 0.000 0.546 39 N N 2.917 121.698 118.700 0.136 0.000 2.819 39 N HA -0.041 4.699 4.740 0.001 0.000 0.284 39 N C -0.839 174.721 175.510 0.083 0.000 1.196 39 N CA -0.079 53.020 53.050 0.081 0.000 1.114 39 N CB -0.222 38.291 38.487 0.043 0.000 1.437 39 N HN 0.631 nan 8.380 nan 0.000 0.518 40 E N 0.352 120.604 120.200 0.086 0.000 2.412 40 E HA 0.319 4.670 4.350 0.001 0.000 0.279 40 E C -1.489 175.144 176.600 0.055 0.000 0.984 40 E CA -1.031 55.407 56.400 0.064 0.000 0.788 40 E CB 0.549 30.284 29.700 0.058 0.000 1.277 40 E HN -0.041 nan 8.360 nan 0.000 0.455 41 L N 2.228 123.478 121.223 0.044 0.000 2.290 41 L HA 0.401 4.742 4.340 0.001 0.000 0.284 41 L C -2.307 174.582 176.870 0.031 0.000 1.078 41 L CA -1.966 52.897 54.840 0.037 0.000 0.815 41 L CB 0.457 42.537 42.059 0.036 0.000 1.162 41 L HN 0.505 nan 8.230 nan 0.000 0.435 42 P HA 0.183 nan 4.420 nan 0.000 0.267 42 P C -0.652 176.658 177.300 0.015 0.000 1.205 42 P CA -0.139 62.975 63.100 0.023 0.000 0.765 42 P CB 0.749 32.464 31.700 0.025 0.000 0.828 43 A N 3.143 125.969 122.820 0.010 0.000 2.280 43 A HA 0.305 4.626 4.320 0.001 0.000 0.268 43 A C 0.249 177.836 177.584 0.004 0.000 1.111 43 A CA -0.088 51.952 52.037 0.006 0.000 0.814 43 A CB 0.243 19.243 19.000 0.001 0.000 1.093 43 A HN 0.528 nan 8.150 nan 0.000 0.498 44 E N -0.647 119.553 120.200 0.001 0.000 2.339 44 E HA 0.528 4.878 4.350 0.001 0.000 0.262 44 E C -0.928 175.671 176.600 -0.003 0.000 0.934 44 E CA -0.537 55.862 56.400 -0.000 0.000 0.802 44 E CB 1.761 31.460 29.700 -0.003 0.000 1.275 44 E HN 0.758 nan 8.360 nan 0.000 0.427 45 E N -0.782 119.417 120.200 -0.001 0.000 2.388 45 E HA 0.366 4.717 4.350 0.001 0.000 0.269 45 E C -0.132 176.470 176.600 0.002 0.000 1.172 45 E CA -0.171 56.228 56.400 -0.001 0.000 0.887 45 E CB 0.813 30.515 29.700 0.002 0.000 1.544 45 E HN 0.633 nan 8.360 nan 0.000 0.451 46 G N 0.460 109.263 108.800 0.006 0.000 2.870 46 G HA2 -0.181 3.780 3.960 0.001 0.000 0.216 46 G HA3 -0.181 3.780 3.960 0.001 0.000 0.216 46 G C 0.125 175.031 174.900 0.011 0.000 0.973 46 G CA 0.112 45.219 45.100 0.011 0.000 0.807 46 G HN 0.512 nan 8.290 nan 0.000 0.573 47 K N 1.427 121.829 120.400 0.002 0.000 3.225 47 K HA 0.409 4.729 4.320 0.001 0.000 0.282 47 K C 0.612 177.215 176.600 0.006 0.000 1.060 47 K CA 0.357 56.640 56.287 -0.005 0.000 1.186 47 K CB 0.318 32.805 32.500 -0.023 0.000 1.214 47 K HN 0.225 nan 8.250 nan 0.000 0.428 48 S N 1.375 117.093 115.700 0.030 0.000 2.544 48 S HA -0.046 4.424 4.470 0.001 0.000 0.290 48 S C 1.197 175.828 174.600 0.052 0.000 1.276 48 S CA -0.676 57.563 58.200 0.065 0.000 1.075 48 S CB 0.264 63.523 63.200 0.099 0.000 0.849 48 S HN 0.545 nan 8.310 nan 0.000 0.494 49 L N 6.154 127.394 121.223 0.028 0.000 2.013 49 L HA 0.020 4.361 4.340 0.001 0.000 0.212 49 L C 1.261 178.045 176.870 -0.143 0.000 1.073 49 L CA 1.871 56.652 54.840 -0.099 0.000 0.753 49 L CB -0.574 41.371 42.059 -0.190 0.000 0.890 49 L HN 0.903 nan 8.230 nan 0.000 0.432 50 W N -0.295 121.015 121.300 0.016 0.000 3.468 50 W HA 0.083 4.743 4.660 0.001 0.000 0.327 50 W C 1.728 178.262 176.519 0.024 0.000 1.259 50 W CA -0.079 57.280 57.345 0.023 0.000 1.706 50 W CB 0.016 29.486 29.460 0.017 0.000 1.007 50 W HN 0.187 nan 8.180 nan 0.000 0.764 51 E N -1.217 119.067 120.200 0.141 0.000 3.155 51 E HA 0.000 4.351 4.350 0.001 0.000 0.208 51 E C 2.038 178.665 176.600 0.045 0.000 1.060 51 E CA 0.395 56.855 56.400 0.099 0.000 1.522 51 E CB -0.740 29.009 29.700 0.083 0.000 1.433 51 E HN 0.230 nan 8.360 nan 0.000 0.709 52 L N 0.028 121.257 121.223 0.010 0.000 2.353 52 L HA 0.013 4.354 4.340 0.001 0.000 0.220 52 L C 2.035 178.877 176.870 -0.046 0.000 1.133 52 L CA 1.038 55.865 54.840 -0.023 0.000 0.798 52 L CB -1.256 40.781 42.059 -0.037 0.000 0.922 52 L HN -0.128 nan 8.230 nan 0.000 0.445 53 V N 0.114 120.006 119.914 -0.036 0.000 2.379 53 V HA -0.079 4.042 4.120 0.001 0.000 0.243 53 V C 2.481 178.600 176.094 0.041 0.000 1.035 53 V CA 1.506 63.784 62.300 -0.037 0.000 1.035 53 V CB -0.309 31.490 31.823 -0.040 0.000 0.673 53 V HN 0.387 nan 8.190 nan 0.000 0.457 54 I N 0.200 120.837 120.570 0.112 0.000 2.567 54 I HA -0.223 3.948 4.170 0.001 0.000 0.257 54 I C 2.413 178.592 176.117 0.104 0.000 1.184 54 I CA 1.393 62.798 61.300 0.175 0.000 1.451 54 I CB -0.411 37.677 38.000 0.147 0.000 1.089 54 I HN 0.437 nan 8.210 nan 0.000 0.441 55 E N 0.472 120.684 120.200 0.022 0.000 2.107 55 E HA -0.194 4.156 4.350 0.001 0.000 0.191 55 E C 2.072 178.624 176.600 -0.081 0.000 0.982 55 E CA 0.692 57.084 56.400 -0.013 0.000 0.809 55 E CB -0.043 29.642 29.700 -0.024 0.000 0.756 55 E HN 0.471 nan 8.360 nan 0.000 0.459 56 Q N -0.342 119.330 119.800 -0.214 0.000 2.291 56 Q HA -0.100 4.240 4.340 0.001 0.000 0.206 56 Q C 0.755 176.452 176.000 -0.504 0.000 0.976 56 Q CA 0.997 56.548 55.803 -0.420 0.000 0.875 56 Q CB 0.001 28.341 28.738 -0.664 0.000 0.927 56 Q HN 0.292 nan 8.270 nan 0.000 0.450 57 F N -0.465 119.486 119.950 0.001 0.000 2.850 57 F HA 0.240 4.767 4.527 0.001 0.000 0.306 57 F C 1.578 177.380 175.800 0.003 0.000 1.162 57 F CA -0.459 57.542 58.000 0.000 0.000 1.327 57 F CB 0.283 39.281 39.000 -0.003 0.000 0.953 57 F HN 0.035 nan 8.300 nan 0.000 0.507 58 E N 0.112 120.372 120.200 0.100 0.000 2.364 58 E HA -0.054 4.297 4.350 0.001 0.000 0.196 58 E C 0.217 176.849 176.600 0.053 0.000 0.990 58 E CA -0.018 56.425 56.400 0.071 0.000 0.886 58 E CB 0.296 30.020 29.700 0.040 0.000 0.866 58 E HN 0.271 nan 8.360 nan 0.000 0.493 59 D N 0.373 120.801 120.400 0.046 0.000 2.455 59 D HA -0.102 4.538 4.640 0.001 0.000 0.241 59 D C 1.071 177.399 176.300 0.046 0.000 1.138 59 D CA -0.103 53.921 54.000 0.040 0.000 0.877 59 D CB 1.087 41.908 40.800 0.035 0.000 1.187 59 D HN 0.054 nan 8.370 nan 0.000 0.451 60 L N 4.219 125.461 121.223 0.032 0.000 2.079 60 L HA -0.107 4.233 4.340 0.001 0.000 0.210 60 L C 1.732 178.613 176.870 0.017 0.000 1.081 60 L CA 1.652 56.502 54.840 0.017 0.000 0.752 60 L CB -0.387 41.673 42.059 0.001 0.000 0.896 60 L HN 0.681 nan 8.230 nan 0.000 0.433 61 L N -1.230 120.010 121.223 0.029 0.000 2.072 61 L HA -0.124 4.216 4.340 0.001 0.000 0.205 61 L C 2.504 179.403 176.870 0.047 0.000 1.079 61 L CA 1.191 56.050 54.840 0.032 0.000 0.752 61 L CB -0.794 41.300 42.059 0.058 0.000 0.906 61 L HN 0.347 nan 8.230 nan 0.000 0.436 62 V N -2.669 117.286 119.914 0.068 0.000 2.759 62 V HA -0.168 3.953 4.120 0.001 0.000 0.256 62 V C 2.374 178.533 176.094 0.110 0.000 1.080 62 V CA 1.183 63.545 62.300 0.103 0.000 1.101 62 V CB -0.761 31.143 31.823 0.136 0.000 0.698 62 V HN 0.371 nan 8.190 nan 0.000 0.477 63 R N -0.137 120.409 120.500 0.077 0.000 2.093 63 R HA 0.123 4.463 4.340 0.001 0.000 0.224 63 R C 2.336 178.646 176.300 0.016 0.000 1.101 63 R CA 1.453 57.582 56.100 0.048 0.000 0.979 63 R CB -0.306 30.014 30.300 0.034 0.000 0.877 63 R HN 0.410 nan 8.270 nan 0.000 0.441 64 I N 0.930 121.506 120.570 0.010 0.000 2.226 64 I HA -0.226 3.944 4.170 0.001 0.000 0.245 64 I C 2.053 178.172 176.117 0.002 0.000 1.100 64 I CA 1.372 62.667 61.300 -0.008 0.000 1.374 64 I CB -0.783 37.206 38.000 -0.018 0.000 1.057 64 I HN 0.118 nan 8.210 nan 0.000 0.413 65 L N -0.305 120.932 121.223 0.023 0.000 2.217 65 L HA -0.110 4.231 4.340 0.001 0.000 0.211 65 L C 2.298 179.184 176.870 0.027 0.000 1.107 65 L CA 1.017 55.877 54.840 0.033 0.000 0.783 65 L CB -0.950 41.141 42.059 0.053 0.000 0.919 65 L HN 0.165 nan 8.230 nan 0.000 0.442 66 L N -1.207 120.026 121.223 0.016 0.000 2.072 66 L HA -0.125 4.215 4.340 0.001 0.000 0.205 66 L C 2.245 179.096 176.870 -0.031 0.000 1.079 66 L CA 1.465 56.289 54.840 -0.027 0.000 0.752 66 L CB -0.508 41.514 42.059 -0.061 0.000 0.906 66 L HN 0.205 nan 8.230 nan 0.000 0.436 67 L N -0.147 121.063 121.223 -0.022 0.000 2.005 67 L HA -0.028 4.313 4.340 0.001 0.000 0.207 67 L C 2.549 179.419 176.870 0.001 0.000 1.072 67 L CA 2.097 56.925 54.840 -0.020 0.000 0.744 67 L CB -1.151 40.889 42.059 -0.031 0.000 0.895 67 L HN 0.252 nan 8.230 nan 0.000 0.433 68 A N -0.160 122.661 122.820 0.002 0.000 1.903 68 A HA -0.257 4.063 4.320 0.001 0.000 0.219 68 A C 2.461 180.077 177.584 0.053 0.000 1.191 68 A CA 2.455 54.503 52.037 0.018 0.000 0.638 68 A CB -1.445 17.563 19.000 0.014 0.000 0.823 68 A HN 0.633 nan 8.150 nan 0.000 0.451 69 A N -1.419 121.435 122.820 0.056 0.000 1.978 69 A HA -0.167 4.153 4.320 0.001 0.000 0.220 69 A C 2.310 179.977 177.584 0.138 0.000 1.170 69 A CA 1.775 53.870 52.037 0.096 0.000 0.636 69 A CB -1.171 17.871 19.000 0.070 0.000 0.810 69 A HN 0.632 nan 8.150 nan 0.000 0.448 70 C N -0.850 118.497 119.300 0.079 0.000 2.476 70 C HA 0.018 4.478 4.460 0.001 0.000 0.278 70 C C 2.538 177.618 174.990 0.150 0.000 1.274 70 C CA 0.787 59.857 59.018 0.087 0.000 1.713 70 C CB -1.217 26.525 27.740 0.004 0.000 2.039 70 C HN 0.641 nan 8.230 nan 0.000 0.484 71 I N 0.901 121.540 120.570 0.115 0.000 2.264 71 I HA -0.200 3.970 4.170 0.001 0.000 0.248 71 I C 2.631 178.833 176.117 0.141 0.000 1.111 71 I CA 1.746 63.134 61.300 0.147 0.000 1.382 71 I CB -0.522 37.563 38.000 0.142 0.000 1.060 71 I HN 0.329 nan 8.210 nan 0.000 0.418 72 S N 0.262 116.040 115.700 0.130 0.000 2.453 72 S HA -0.130 4.341 4.470 0.001 0.000 0.231 72 S C 1.895 176.549 174.600 0.089 0.000 1.005 72 S CA 0.775 59.032 58.200 0.095 0.000 0.949 72 S CB -0.293 62.962 63.200 0.091 0.000 0.774 72 S HN 0.437 nan 8.310 nan 0.000 0.510 73 F N 1.434 121.408 119.950 0.039 0.000 2.293 73 F HA 0.124 4.652 4.527 0.001 0.000 0.297 73 F C 1.952 177.796 175.800 0.074 0.000 1.089 73 F CA 0.849 58.895 58.000 0.077 0.000 1.377 73 F CB -0.106 38.996 39.000 0.171 0.000 1.051 73 F HN 0.051 nan 8.300 nan 0.000 0.511 74 V N -0.086 119.983 119.914 0.257 0.000 2.453 74 V HA -0.248 3.873 4.120 0.001 0.000 0.247 74 V C 2.137 178.260 176.094 0.049 0.000 1.048 74 V CA 1.240 63.612 62.300 0.121 0.000 1.049 74 V CB -0.639 31.147 31.823 -0.062 0.000 0.672 74 V HN 0.215 nan 8.190 nan 0.000 0.457 75 L N 0.329 121.559 121.223 0.011 0.000 2.376 75 L HA 0.060 4.400 4.340 0.001 0.000 0.219 75 L C 2.407 179.239 176.870 -0.062 0.000 1.133 75 L CA 1.690 56.537 54.840 0.012 0.000 0.816 75 L CB -1.006 41.065 42.059 0.021 0.000 0.933 75 L HN 0.281 nan 8.230 nan 0.000 0.449 76 A N -1.622 121.035 122.820 -0.270 0.000 1.935 76 A HA -0.172 4.148 4.320 0.001 0.000 0.214 76 A C 2.182 179.448 177.584 -0.530 0.000 1.178 76 A CA 0.732 52.333 52.037 -0.725 0.000 0.640 76 A CB -0.753 17.262 19.000 -1.642 0.000 0.825 76 A HN 0.580 nan 8.150 nan 0.000 0.447 77 W N -0.383 120.770 121.300 -0.245 0.000 2.441 77 W HA -0.005 4.655 4.660 0.001 0.000 0.302 77 W C 0.050 176.716 176.519 0.244 0.000 1.191 77 W CA 0.826 58.308 57.345 0.228 0.000 1.327 77 W CB -0.242 29.473 29.460 0.424 0.000 1.128 77 W HN 0.281 nan 8.180 nan 0.000 0.522 78 F N 2.410 122.506 119.950 0.244 0.000 2.778 78 F HA 0.105 4.632 4.527 0.001 0.000 0.295 78 F C 0.309 176.128 175.800 0.031 0.000 1.262 78 F CA 0.355 58.445 58.000 0.150 0.000 1.429 78 F CB -1.243 37.842 39.000 0.141 0.000 1.072 78 F HN -0.225 nan 8.300 nan 0.000 0.514 79 E N 0.538 120.792 120.200 0.090 0.000 2.212 79 E HA 0.236 4.587 4.350 0.001 0.000 0.270 79 E C -0.118 176.467 176.600 -0.025 0.000 0.956 79 E CA -0.602 55.806 56.400 0.013 0.000 0.825 79 E CB 0.773 30.439 29.700 -0.056 0.000 1.167 79 E HN -0.002 nan 8.360 nan 0.000 0.400 80 E N 1.699 121.893 120.200 -0.010 0.000 2.436 80 E HA 0.092 4.443 4.350 0.001 0.000 0.262 80 E C 0.704 177.278 176.600 -0.043 0.000 1.063 80 E CA 0.633 57.021 56.400 -0.020 0.000 0.944 80 E CB 0.619 30.319 29.700 -0.001 0.000 0.950 80 E HN 0.741 nan 8.360 nan 0.000 0.444 81 G N 2.042 110.812 108.800 -0.050 0.000 3.155 81 G HA2 -0.145 3.815 3.960 0.001 0.000 0.213 81 G HA3 -0.145 3.815 3.960 0.001 0.000 0.213 81 G C 0.995 175.870 174.900 -0.042 0.000 1.196 81 G CA -0.008 45.057 45.100 -0.059 0.000 0.846 81 G HN 0.429 nan 8.290 nan 0.000 0.516 82 E N 0.397 120.580 120.200 -0.029 0.000 2.012 82 E HA -0.089 4.261 4.350 0.001 0.000 0.197 82 E C 0.681 177.266 176.600 -0.024 0.000 1.007 82 E CA 0.964 57.352 56.400 -0.020 0.000 0.816 82 E CB 0.032 29.727 29.700 -0.008 0.000 0.762 82 E HN 0.455 nan 8.360 nan 0.000 0.451 83 E N -0.335 119.849 120.200 -0.026 0.000 4.176 83 E HA 0.046 4.396 4.350 0.001 0.000 0.222 83 E C -0.597 175.986 176.600 -0.028 0.000 1.142 83 E CA -0.021 56.362 56.400 -0.028 0.000 1.400 83 E CB 1.040 30.725 29.700 -0.024 0.000 1.206 83 E HN -0.044 nan 8.360 nan 0.000 0.413 84 T N 0.279 114.815 114.554 -0.030 0.000 3.439 84 T HA 0.029 4.380 4.350 0.001 0.000 0.251 84 T C 1.308 176.025 174.700 0.029 0.000 1.108 84 T CA 0.293 62.389 62.100 -0.005 0.000 0.982 84 T CB -0.320 68.534 68.868 -0.023 0.000 1.024 84 T HN 0.256 nan 8.240 nan 0.000 0.573 85 I N 1.680 122.245 120.570 -0.009 0.000 2.406 85 I HA 0.094 4.264 4.170 0.001 0.000 0.249 85 I C 1.620 177.730 176.117 -0.011 0.000 1.122 85 I CA 1.203 62.487 61.300 -0.026 0.000 1.431 85 I CB 0.217 38.194 38.000 -0.039 0.000 1.087 85 I HN 0.361 nan 8.210 nan 0.000 0.424 86 T N -2.458 112.093 114.554 -0.004 0.000 3.448 86 T HA 0.625 4.975 4.350 0.001 0.000 0.271 86 T C 0.789 175.478 174.700 -0.018 0.000 1.002 86 T CA 0.018 62.108 62.100 -0.016 0.000 0.995 86 T CB 0.236 69.078 68.868 -0.044 0.000 1.153 86 T HN 0.139 nan 8.240 nan 0.000 0.510 87 A N 0.436 123.272 122.820 0.026 0.000 2.063 87 A HA 0.448 4.768 4.320 0.001 0.000 0.211 87 A C 1.099 178.587 177.584 -0.160 0.000 1.177 87 A CA 0.009 51.993 52.037 -0.089 0.000 0.759 87 A CB -0.489 18.411 19.000 -0.166 0.000 0.857 87 A HN 0.528 nan 8.150 nan 0.000 0.468 88 F N 0.013 119.870 119.950 -0.155 0.000 2.804 88 F HA 0.067 4.594 4.527 0.001 0.000 0.303 88 F C 1.861 177.625 175.800 -0.060 0.000 1.154 88 F CA -0.011 57.894 58.000 -0.158 0.000 1.401 88 F CB -0.473 38.341 39.000 -0.309 0.000 1.106 88 F HN -0.008 nan 8.300 nan 0.000 0.568 89 V N 0.128 120.081 119.914 0.065 0.000 2.233 89 V HA -0.328 3.793 4.120 0.001 0.000 0.247 89 V C 2.523 178.687 176.094 0.117 0.000 1.050 89 V CA 2.352 64.681 62.300 0.050 0.000 1.010 89 V CB -0.601 31.184 31.823 -0.065 0.000 0.637 89 V HN 0.412 nan 8.190 nan 0.000 0.444 90 E N 0.653 120.886 120.200 0.055 0.000 2.033 90 E HA -0.251 4.100 4.350 0.001 0.000 0.199 90 E C -0.073 176.632 176.600 0.175 0.000 1.011 90 E CA 2.182 58.630 56.400 0.080 0.000 0.815 90 E CB -1.071 28.646 29.700 0.029 0.000 0.755 90 E HN 0.456 nan 8.360 nan 0.000 0.451 91 P HA -0.144 nan 4.420 nan 0.000 0.217 91 P C 0.782 178.360 177.300 0.463 0.000 1.148 91 P CA 1.243 64.565 63.100 0.371 0.000 0.828 91 P CB -0.096 31.897 31.700 0.487 0.000 0.783 92 F N -1.452 118.638 119.950 0.233 0.000 2.317 92 F HA -0.051 4.476 4.527 0.001 0.000 0.293 92 F C 2.227 178.111 175.800 0.141 0.000 1.085 92 F CA 0.650 58.773 58.000 0.206 0.000 1.390 92 F CB -1.061 38.061 39.000 0.203 0.000 1.077 92 F HN -0.315 nan 8.300 nan 0.000 0.517 93 V N 0.427 120.516 119.914 0.290 0.000 2.407 93 V HA -0.297 3.824 4.120 0.001 0.000 0.248 93 V C 2.277 178.456 176.094 0.141 0.000 1.055 93 V CA 1.739 64.156 62.300 0.194 0.000 1.049 93 V CB -0.581 31.342 31.823 0.167 0.000 0.662 93 V HN 0.243 nan 8.190 nan 0.000 0.455 94 I N -0.623 120.026 120.570 0.133 0.000 2.163 94 I HA -0.214 3.957 4.170 0.001 0.000 0.240 94 I C 2.399 178.557 176.117 0.069 0.000 1.081 94 I CA 1.348 62.706 61.300 0.097 0.000 1.353 94 I CB -0.458 37.599 38.000 0.095 0.000 1.054 94 I HN 0.290 nan 8.210 nan 0.000 0.407 95 L N 0.663 121.908 121.223 0.038 0.000 2.127 95 L HA -0.211 4.129 4.340 0.001 0.000 0.211 95 L C 2.228 179.086 176.870 -0.019 0.000 1.089 95 L CA 1.655 56.473 54.840 -0.036 0.000 0.757 95 L CB -0.512 41.445 42.059 -0.171 0.000 0.899 95 L HN 0.175 nan 8.230 nan 0.000 0.434 96 L N -0.964 120.265 121.223 0.009 0.000 2.027 96 L HA -0.162 4.179 4.340 0.001 0.000 0.206 96 L C 2.319 179.220 176.870 0.051 0.000 1.074 96 L CA 1.629 56.490 54.840 0.034 0.000 0.745 96 L CB -0.518 41.592 42.059 0.084 0.000 0.898 96 L HN 0.194 nan 8.230 nan 0.000 0.433 97 I N -0.868 119.739 120.570 0.063 0.000 2.179 97 I HA -0.262 3.908 4.170 0.001 0.000 0.242 97 I C 2.492 178.647 176.117 0.063 0.000 1.088 97 I CA 1.144 62.477 61.300 0.056 0.000 1.357 97 I CB -1.256 36.779 38.000 0.059 0.000 1.051 97 I HN 0.252 nan 8.210 nan 0.000 0.409 98 L N 0.723 122.003 121.223 0.095 0.000 1.970 98 L HA -0.191 4.150 4.340 0.001 0.000 0.212 98 L C 2.490 179.467 176.870 0.179 0.000 1.071 98 L CA 1.920 56.862 54.840 0.169 0.000 0.751 98 L CB -0.845 41.363 42.059 0.248 0.000 0.889 98 L HN 0.135 nan 8.230 nan 0.000 0.432 99 I N -1.059 119.617 120.570 0.177 0.000 2.567 99 I HA -0.289 3.882 4.170 0.001 0.000 0.257 99 I C 2.422 178.568 176.117 0.049 0.000 1.184 99 I CA 0.884 62.276 61.300 0.152 0.000 1.451 99 I CB -0.575 37.486 38.000 0.100 0.000 1.089 99 I HN 0.259 nan 8.210 nan 0.000 0.441 100 A N 1.259 124.098 122.820 0.032 0.000 1.843 100 A HA -0.140 4.181 4.320 0.001 0.000 0.213 100 A C 1.978 179.548 177.584 -0.025 0.000 1.202 100 A CA 1.597 53.635 52.037 0.000 0.000 0.607 100 A CB -0.655 18.349 19.000 0.006 0.000 0.847 100 A HN 0.339 nan 8.150 nan 0.000 0.445 101 N N 0.148 118.834 118.700 -0.022 0.000 2.520 101 N HA 0.066 4.807 4.740 0.001 0.000 0.185 101 N C 1.423 176.880 175.510 -0.089 0.000 1.068 101 N CA 1.113 54.137 53.050 -0.044 0.000 0.911 101 N CB -0.139 38.332 38.487 -0.028 0.000 0.961 101 N HN 0.503 nan 8.380 nan 0.000 0.446 102 A N 0.144 122.888 122.820 -0.126 0.000 1.924 102 A HA 0.159 4.479 4.320 0.001 0.000 0.211 102 A C 2.037 179.528 177.584 -0.155 0.000 1.198 102 A CA 0.177 52.058 52.037 -0.260 0.000 0.657 102 A CB -0.362 18.320 19.000 -0.530 0.000 0.852 102 A HN 0.284 nan 8.150 nan 0.000 0.454 103 I N 0.036 120.561 120.570 -0.075 0.000 2.493 103 I HA -0.153 4.018 4.170 0.001 0.000 0.254 103 I C 1.779 177.906 176.117 0.017 0.000 1.160 103 I CA 1.029 62.315 61.300 -0.023 0.000 1.445 103 I CB 0.195 38.191 38.000 -0.006 0.000 1.086 103 I HN 0.140 nan 8.210 nan 0.000 0.433 104 V N 0.756 120.663 119.914 -0.012 0.000 2.591 104 V HA -0.078 4.043 4.120 0.001 0.000 0.249 104 V C 2.525 178.660 176.094 0.070 0.000 1.053 104 V CA 1.592 63.900 62.300 0.012 0.000 1.068 104 V CB -1.081 30.711 31.823 -0.051 0.000 0.689 104 V HN 0.591 nan 8.190 nan 0.000 0.462 105 G N 0.118 108.919 108.800 0.002 0.000 2.422 105 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 105 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 105 G C 1.525 176.433 174.900 0.014 0.000 1.140 105 G CA 1.202 46.298 45.100 -0.008 0.000 0.775 105 G HN 0.429 nan 8.290 nan 0.000 0.545 106 V N -0.060 119.864 119.914 0.017 0.000 2.871 106 V HA -0.037 4.084 4.120 0.001 0.000 0.256 106 V C 2.150 178.282 176.094 0.064 0.000 1.082 106 V CA 0.867 63.174 62.300 0.012 0.000 1.105 106 V CB -0.465 31.351 31.823 -0.012 0.000 0.713 106 V HN 0.657 nan 8.190 nan 0.000 0.473 107 W N 1.360 122.625 121.300 -0.058 0.000 2.409 107 W HA -0.147 4.514 4.660 0.001 0.000 0.299 107 W C 2.065 178.561 176.519 -0.038 0.000 1.203 107 W CA 1.564 58.882 57.345 -0.044 0.000 1.298 107 W CB -0.148 29.288 29.460 -0.040 0.000 1.127 107 W HN 0.316 nan 8.180 nan 0.000 0.528 108 Q N 0.056 119.963 119.800 0.179 0.000 2.297 108 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 108 Q C 1.899 177.877 176.000 -0.037 0.000 0.962 108 Q CA 1.455 57.302 55.803 0.074 0.000 0.879 108 Q CB -0.060 28.742 28.738 0.107 0.000 0.947 108 Q HN 0.462 nan 8.270 nan 0.000 0.462 109 E N 0.236 120.408 120.200 -0.045 0.000 2.166 109 E HA -0.034 4.317 4.350 0.001 0.000 0.192 109 E C 1.907 178.447 176.600 -0.100 0.000 0.967 109 E CA -0.010 56.354 56.400 -0.061 0.000 0.840 109 E CB 0.065 29.740 29.700 -0.041 0.000 0.795 109 E HN 0.146 nan 8.360 nan 0.000 0.470 110 R N 1.318 121.738 120.500 -0.133 0.000 2.096 110 R HA -0.038 4.303 4.340 0.001 0.000 0.235 110 R C 0.328 176.498 176.300 -0.216 0.000 1.127 110 R CA 0.854 56.857 56.100 -0.162 0.000 0.968 110 R CB 0.092 30.285 30.300 -0.178 0.000 0.861 110 R HN 0.004 nan 8.270 nan 0.000 0.440 111 N N 0.996 119.510 118.700 -0.311 0.000 2.807 111 N HA 0.159 4.899 4.740 0.001 0.000 0.259 111 N C -1.422 173.976 175.510 -0.186 0.000 1.149 111 N CA 0.332 53.191 53.050 -0.319 0.000 1.042 111 N CB 1.428 39.605 38.487 -0.517 0.000 1.367 111 N HN 0.237 nan 8.380 nan 0.000 0.516 112 A N 1.636 124.376 122.820 -0.134 0.000 2.429 112 A HA 0.310 4.631 4.320 0.001 0.000 0.289 112 A C -0.241 177.301 177.584 -0.070 0.000 1.043 112 A CA -0.768 51.217 52.037 -0.087 0.000 0.722 112 A CB 1.301 20.258 19.000 -0.071 0.000 1.243 112 A HN 0.367 nan 8.150 nan 0.000 0.415 113 E N 1.537 121.703 120.200 -0.056 0.000 2.344 113 E HA 0.090 4.440 4.350 0.001 0.000 0.270 113 E C -0.320 176.261 176.600 -0.033 0.000 1.021 113 E CA -0.345 56.029 56.400 -0.043 0.000 0.887 113 E CB 0.788 30.467 29.700 -0.035 0.000 0.997 113 E HN 0.545 nan 8.360 nan 0.000 0.429 114 N N 1.597 120.280 118.700 -0.028 0.000 2.444 114 N HA 0.103 4.843 4.740 0.001 0.000 0.271 114 N C 0.182 175.687 175.510 -0.009 0.000 1.069 114 N CA -0.008 53.030 53.050 -0.019 0.000 0.965 114 N CB 1.374 39.850 38.487 -0.018 0.000 1.092 114 N HN 0.538 nan 8.380 nan 0.000 0.476 115 A N 4.910 127.726 122.820 -0.006 0.000 1.969 115 A HA -0.067 4.254 4.320 0.001 0.000 0.218 115 A C 1.908 179.501 177.584 0.015 0.000 1.169 115 A CA 0.804 52.844 52.037 0.004 0.000 0.635 115 A CB -0.438 18.561 19.000 -0.002 0.000 0.810 115 A HN 0.741 nan 8.150 nan 0.000 0.445 116 I N 0.227 120.802 120.570 0.009 0.000 2.252 116 I HA -0.208 3.962 4.170 0.001 0.000 0.245 116 I C 2.245 178.376 176.117 0.022 0.000 1.102 116 I CA 1.409 62.719 61.300 0.016 0.000 1.385 116 I CB -1.645 36.360 38.000 0.008 0.000 1.064 116 I HN 0.469 nan 8.210 nan 0.000 0.414 117 E N 1.222 121.428 120.200 0.011 0.000 2.058 117 E HA -0.196 4.155 4.350 0.001 0.000 0.194 117 E C 2.346 178.955 176.600 0.014 0.000 0.997 117 E CA 1.514 57.918 56.400 0.006 0.000 0.801 117 E CB -0.140 29.556 29.700 -0.007 0.000 0.746 117 E HN 0.496 nan 8.360 nan 0.000 0.450 118 A N 1.036 123.870 122.820 0.023 0.000 1.933 118 A HA -0.151 4.169 4.320 0.001 0.000 0.218 118 A C 2.142 179.789 177.584 0.106 0.000 1.175 118 A CA 0.915 52.975 52.037 0.038 0.000 0.628 118 A CB -0.423 18.603 19.000 0.044 0.000 0.814 118 A HN 0.205 nan 8.150 nan 0.000 0.444 119 L N -0.050 121.247 121.223 0.123 0.000 2.056 119 L HA -0.076 4.264 4.340 0.001 0.000 0.207 119 L C 2.041 179.043 176.870 0.221 0.000 1.078 119 L CA 2.006 56.968 54.840 0.202 0.000 0.749 119 L CB -0.418 41.697 42.059 0.094 0.000 0.901 119 L HN 0.294 nan 8.230 nan 0.000 0.433 120 K N -0.402 120.062 120.400 0.106 0.000 2.519 120 K HA -0.203 4.118 4.320 0.001 0.000 0.196 120 K C 1.686 178.311 176.600 0.042 0.000 1.041 120 K CA 0.964 57.295 56.287 0.074 0.000 0.954 120 K CB -0.093 32.428 32.500 0.035 0.000 0.774 120 K HN 0.439 nan 8.250 nan 0.000 0.480 121 E N -0.334 119.865 120.200 -0.001 0.000 2.478 121 E HA -0.114 4.236 4.350 0.001 0.000 0.198 121 E C 0.437 176.887 176.600 -0.250 0.000 1.046 121 E CA 0.607 56.919 56.400 -0.147 0.000 0.870 121 E CB 0.166 29.723 29.700 -0.239 0.000 0.818 121 E HN 0.350 nan 8.360 nan 0.000 0.527 122 Y N 0.509 120.810 120.300 0.001 0.000 2.466 122 Y HA 0.164 4.714 4.550 0.001 0.000 0.272 122 Y C -0.001 175.905 175.900 0.009 0.000 1.169 122 Y CA 0.050 58.154 58.100 0.006 0.000 1.285 122 Y CB 0.518 38.982 38.460 0.007 0.000 1.078 122 Y HN -0.121 nan 8.280 nan 0.000 0.523 123 E N 3.505 123.767 120.200 0.104 0.000 2.089 123 E HA 0.161 4.512 4.350 0.001 0.000 0.284 123 E C -2.379 174.240 176.600 0.032 0.000 1.023 123 E CA -2.055 54.387 56.400 0.070 0.000 0.819 123 E CB 0.605 30.339 29.700 0.057 0.000 1.076 123 E HN 0.082 nan 8.360 nan 0.000 0.396 124 P HA -0.068 nan 4.420 nan 0.000 0.269 124 P C 0.263 177.568 177.300 0.008 0.000 1.209 124 P CA 0.132 63.239 63.100 0.012 0.000 0.776 124 P CB 1.035 32.745 31.700 0.016 0.000 0.876 125 E N 2.053 122.252 120.200 -0.002 0.000 2.072 125 E HA -0.046 4.304 4.350 0.001 0.000 0.190 125 E C 0.390 176.989 176.600 -0.000 0.000 0.982 125 E CA 0.740 57.139 56.400 -0.002 0.000 0.803 125 E CB -0.133 29.561 29.700 -0.009 0.000 0.755 125 E HN 0.281 nan 8.360 nan 0.000 0.453 126 M N 0.946 120.544 119.600 -0.004 0.000 2.598 126 M HA 0.588 5.068 4.480 0.001 0.000 0.317 126 M C 0.247 176.542 176.300 -0.009 0.000 1.201 126 M CA -0.594 54.702 55.300 -0.008 0.000 0.971 126 M CB 1.492 34.084 32.600 -0.013 0.000 1.657 126 M HN 0.182 nan 8.290 nan 0.000 0.470 127 G N 1.003 109.793 108.800 -0.017 0.000 2.694 127 G HA2 0.710 4.670 3.960 0.001 0.000 0.290 127 G HA3 0.710 4.670 3.960 0.001 0.000 0.290 127 G C -1.558 173.315 174.900 -0.045 0.000 1.386 127 G CA -0.761 44.325 45.100 -0.023 0.000 0.872 127 G HN 0.556 nan 8.290 nan 0.000 0.475 128 K N 0.045 120.410 120.400 -0.060 0.000 2.358 128 K HA 0.627 4.948 4.320 0.001 0.000 0.260 128 K C -0.455 176.063 176.600 -0.136 0.000 0.956 128 K CA -0.726 55.494 56.287 -0.112 0.000 0.834 128 K CB 2.359 34.789 32.500 -0.116 0.000 1.102 128 K HN 0.592 nan 8.250 nan 0.000 0.431 129 V N -0.293 119.509 119.914 -0.186 0.000 3.102 129 V HA 0.578 4.698 4.120 0.001 0.000 0.312 129 V C -1.559 174.370 176.094 -0.276 0.000 1.135 129 V CA -0.946 61.265 62.300 -0.148 0.000 1.022 129 V CB 1.415 33.204 31.823 -0.057 0.000 1.056 129 V HN 0.650 nan 8.190 nan 0.000 0.436 130 Y N 1.901 122.198 120.300 -0.005 0.000 2.345 130 Y HA 0.758 5.308 4.550 0.001 0.000 0.331 130 Y C 0.521 176.423 175.900 0.002 0.000 0.959 130 Y CA -0.641 57.459 58.100 0.000 0.000 1.204 130 Y CB 1.561 40.022 38.460 0.002 0.000 1.135 130 Y HN 0.534 nan 8.280 nan 0.000 0.477 131 R N 1.067 121.640 120.500 0.121 0.000 2.828 131 R HA 0.569 4.909 4.340 0.001 0.000 0.264 131 R C 0.791 177.141 176.300 0.082 0.000 1.022 131 R CA -0.352 55.797 56.100 0.081 0.000 1.021 131 R CB 1.320 31.645 30.300 0.042 0.000 1.163 131 R HN 0.769 nan 8.270 nan 0.000 0.494 132 A N 1.075 123.932 122.820 0.061 0.000 2.076 132 A HA -0.182 4.139 4.320 0.001 0.000 0.220 132 A C 1.194 178.804 177.584 0.043 0.000 1.160 132 A CA 1.567 53.634 52.037 0.050 0.000 0.653 132 A CB -0.346 18.677 19.000 0.039 0.000 0.801 132 A HN 0.687 nan 8.150 nan 0.000 0.455 133 D N 0.072 120.495 120.400 0.039 0.000 2.137 133 D HA -0.122 4.519 4.640 0.001 0.000 0.193 133 D C 1.053 177.374 176.300 0.035 0.000 0.993 133 D CA 1.209 55.227 54.000 0.030 0.000 0.846 133 D CB -0.131 40.683 40.800 0.024 0.000 0.990 133 D HN 0.476 nan 8.370 nan 0.000 0.448 134 R N -0.146 120.381 120.500 0.044 0.000 2.797 134 R HA 0.402 4.743 4.340 0.001 0.000 0.251 134 R C 1.202 177.553 176.300 0.085 0.000 1.107 134 R CA -0.566 55.565 56.100 0.051 0.000 1.084 134 R CB 1.241 31.564 30.300 0.038 0.000 1.205 134 R HN -0.105 nan 8.270 nan 0.000 0.515 135 K N 0.058 120.511 120.400 0.088 0.000 2.348 135 K HA 0.082 4.403 4.320 0.001 0.000 0.194 135 K C 0.256 176.974 176.600 0.197 0.000 1.052 135 K CA 0.198 56.554 56.287 0.115 0.000 1.004 135 K CB 0.709 33.248 32.500 0.066 0.000 0.873 135 K HN 0.579 nan 8.250 nan 0.000 0.523 136 S N 0.502 116.290 115.700 0.147 0.000 2.585 136 S HA 0.229 4.700 4.470 0.001 0.000 0.277 136 S C 0.264 174.892 174.600 0.047 0.000 1.241 136 S CA -1.022 57.265 58.200 0.145 0.000 1.041 136 S CB 1.802 65.041 63.200 0.064 0.000 0.987 136 S HN -0.042 nan 8.310 nan 0.000 0.512 137 V N 2.373 122.215 119.914 -0.120 0.000 2.901 137 V HA 0.107 4.228 4.120 0.001 0.000 0.307 137 V C -0.187 175.740 176.094 -0.279 0.000 1.084 137 V CA 0.501 62.449 62.300 -0.587 0.000 1.184 137 V CB 0.482 31.930 31.823 -0.625 0.000 0.941 137 V HN 0.980 nan 8.190 nan 0.000 0.493 138 Q N 5.479 125.115 119.800 -0.274 0.000 2.316 138 Q HA 0.476 4.816 4.340 0.001 0.000 0.264 138 Q C -0.629 175.294 176.000 -0.128 0.000 0.987 138 Q CA -0.595 55.124 55.803 -0.141 0.000 0.852 138 Q CB 2.038 30.721 28.738 -0.090 0.000 1.287 138 Q HN 0.695 nan 8.270 nan 0.000 0.448 139 R N 3.725 124.174 120.500 -0.084 0.000 2.287 139 R HA 0.341 4.682 4.340 0.001 0.000 0.327 139 R C -0.421 175.854 176.300 -0.041 0.000 1.109 139 R CA -0.055 56.007 56.100 -0.064 0.000 1.013 139 R CB -0.027 30.243 30.300 -0.050 0.000 1.126 139 R HN 0.684 nan 8.270 nan 0.000 0.503 140 I N -0.864 119.684 120.570 -0.037 0.000 3.217 140 I HA 0.521 4.691 4.170 0.001 0.000 0.308 140 I C -0.468 175.644 176.117 -0.008 0.000 1.091 140 I CA -1.360 59.929 61.300 -0.018 0.000 1.013 140 I CB 1.267 39.259 38.000 -0.013 0.000 1.250 140 I HN 0.135 nan 8.210 nan 0.000 0.496 141 K N 2.099 122.502 120.400 0.005 0.000 2.416 141 K HA 0.186 4.506 4.320 0.001 0.000 0.283 141 K C 0.868 177.481 176.600 0.021 0.000 1.037 141 K CA 0.433 56.728 56.287 0.013 0.000 0.995 141 K CB 1.317 33.830 32.500 0.022 0.000 0.938 141 K HN 0.828 nan 8.250 nan 0.000 0.475 142 A N 4.763 127.593 122.820 0.017 0.000 1.917 142 A HA -0.259 4.062 4.320 0.001 0.000 0.219 142 A C 1.974 179.582 177.584 0.041 0.000 1.182 142 A CA 1.934 53.983 52.037 0.020 0.000 0.633 142 A CB -0.385 18.626 19.000 0.018 0.000 0.819 142 A HN 0.849 nan 8.150 nan 0.000 0.448 143 R N -0.853 119.682 120.500 0.058 0.000 2.241 143 R HA -0.092 4.248 4.340 0.001 0.000 0.224 143 R C 0.151 176.561 176.300 0.183 0.000 1.101 143 R CA 1.583 57.748 56.100 0.107 0.000 0.995 143 R CB -0.489 29.860 30.300 0.083 0.000 0.870 143 R HN 0.305 nan 8.270 nan 0.000 0.463 144 D N 0.820 121.299 120.400 0.131 0.000 2.339 144 D HA 0.181 4.822 4.640 0.001 0.000 0.217 144 D C 0.524 176.851 176.300 0.045 0.000 1.050 144 D CA 0.143 54.217 54.000 0.123 0.000 0.856 144 D CB 0.208 41.067 40.800 0.099 0.000 0.922 144 D HN 0.262 nan 8.370 nan 0.000 0.518 145 I N 1.028 121.614 120.570 0.028 0.000 2.720 145 I HA 0.096 4.267 4.170 0.001 0.000 0.287 145 I C 0.429 176.530 176.117 -0.025 0.000 1.090 145 I CA -0.482 60.813 61.300 -0.008 0.000 1.384 145 I CB 1.325 39.314 38.000 -0.019 0.000 1.420 145 I HN -0.241 nan 8.210 nan 0.000 0.575 146 V N 2.482 122.362 119.914 -0.057 0.000 3.114 146 V HA 0.564 4.684 4.120 0.001 0.000 0.308 146 V C -2.834 173.114 176.094 -0.244 0.000 1.168 146 V CA -2.719 59.532 62.300 -0.082 0.000 1.015 146 V CB 1.464 33.303 31.823 0.027 0.000 1.050 146 V HN 0.440 nan 8.190 nan 0.000 0.433 147 P HA 0.324 nan 4.420 nan 0.000 0.262 147 P C 0.998 177.638 177.300 -1.100 0.000 1.182 147 P CA 2.203 64.882 63.100 -0.703 0.000 0.761 147 P CB 0.639 31.800 31.700 -0.898 0.000 0.795 148 G N 2.129 110.096 108.800 -1.388 0.000 2.254 148 G HA2 -0.184 3.776 3.960 0.001 0.000 0.225 148 G HA3 -0.184 3.776 3.960 0.001 0.000 0.225 148 G C -0.174 174.454 174.900 -0.453 0.000 1.003 148 G CA 0.109 44.404 45.100 -1.342 0.000 0.622 148 G HN 0.663 nan 8.290 nan 0.000 0.507 149 D N 1.366 121.593 120.400 -0.288 0.000 2.313 149 D HA 0.497 5.137 4.640 0.001 0.000 0.247 149 D C 0.637 176.899 176.300 -0.065 0.000 1.094 149 D CA -0.857 53.079 54.000 -0.107 0.000 0.925 149 D CB 0.699 41.468 40.800 -0.052 0.000 1.188 149 D HN 0.120 nan 8.370 nan 0.000 0.430 150 I N 1.420 122.001 120.570 0.018 0.000 2.396 150 I HA 0.149 4.320 4.170 0.001 0.000 0.289 150 I C 0.383 176.561 176.117 0.101 0.000 1.056 150 I CA -0.688 60.655 61.300 0.072 0.000 1.365 150 I CB 0.227 38.307 38.000 0.133 0.000 1.407 150 I HN 0.371 nan 8.210 nan 0.000 0.509 151 V N 3.482 123.435 119.914 0.065 0.000 2.919 151 V HA 0.690 4.811 4.120 0.001 0.000 0.316 151 V C -0.407 175.734 176.094 0.079 0.000 1.077 151 V CA -0.789 61.537 62.300 0.043 0.000 0.977 151 V CB 2.445 34.265 31.823 -0.006 0.000 1.039 151 V HN 0.807 nan 8.190 nan 0.000 0.441 152 E N 1.382 121.613 120.200 0.052 0.000 2.248 152 E HA 0.711 5.062 4.350 0.001 0.000 0.267 152 E C -1.420 175.196 176.600 0.026 0.000 0.877 152 E CA -0.776 55.667 56.400 0.072 0.000 0.759 152 E CB 2.396 32.166 29.700 0.116 0.000 1.182 152 E HN 1.054 nan 8.360 nan 0.000 0.418 153 V N 0.123 120.055 119.914 0.030 0.000 2.962 153 V HA 1.035 5.155 4.120 0.001 0.000 0.313 153 V C -0.791 175.319 176.094 0.026 0.000 1.099 153 V CA -0.534 61.777 62.300 0.019 0.000 0.971 153 V CB 1.301 33.131 31.823 0.012 0.000 1.028 153 V HN 0.787 nan 8.190 nan 0.000 0.430 154 A N 1.950 124.783 122.820 0.023 0.000 2.593 154 A HA 0.846 5.167 4.320 0.001 0.000 0.290 154 A C -0.402 177.196 177.584 0.025 0.000 1.126 154 A CA -0.626 51.427 52.037 0.027 0.000 0.695 154 A CB 1.546 20.562 19.000 0.028 0.000 1.290 154 A HN 1.832 nan 8.150 nan 0.000 0.414 155 V N 1.060 120.990 119.914 0.027 0.000 2.814 155 V HA 0.252 4.372 4.120 0.001 0.000 0.298 155 V C 1.741 177.847 176.094 0.021 0.000 1.195 155 V CA 2.143 64.459 62.300 0.026 0.000 1.323 155 V CB -0.587 31.252 31.823 0.028 0.000 0.842 155 V HN 2.506 nan 8.190 nan 0.000 0.494 156 G N 3.204 112.016 108.800 0.021 0.000 2.241 156 G HA2 -0.208 3.752 3.960 0.001 0.000 0.244 156 G HA3 -0.208 3.752 3.960 0.001 0.000 0.244 156 G C -0.002 174.909 174.900 0.018 0.000 0.998 156 G CA 0.128 45.239 45.100 0.018 0.000 0.621 156 G HN 0.709 nan 8.290 nan 0.000 0.519 157 D N 0.742 121.153 120.400 0.019 0.000 2.368 157 D HA 0.419 5.059 4.640 0.001 0.000 0.240 157 D C 0.444 176.761 176.300 0.028 0.000 1.169 157 D CA 0.338 54.349 54.000 0.018 0.000 0.906 157 D CB 0.850 41.659 40.800 0.015 0.000 1.187 157 D HN 0.331 nan 8.370 nan 0.000 0.435 158 K N 0.949 121.367 120.400 0.030 0.000 2.293 158 K HA 0.280 4.600 4.320 0.001 0.000 0.267 158 K C -0.877 175.748 176.600 0.042 0.000 1.010 158 K CA -0.729 55.586 56.287 0.048 0.000 0.875 158 K CB 1.085 33.615 32.500 0.050 0.000 1.106 158 K HN 0.125 nan 8.250 nan 0.000 0.450 159 V N 7.230 127.173 119.914 0.047 0.000 2.584 159 V HA -0.041 4.079 4.120 0.001 0.000 0.303 159 V C -1.163 174.953 176.094 0.037 0.000 1.035 159 V CA -0.579 61.742 62.300 0.034 0.000 1.172 159 V CB 0.723 32.569 31.823 0.039 0.000 0.896 159 V HN 0.831 nan 8.190 nan 0.000 0.486 160 P HA 0.150 nan 4.420 nan 0.000 0.227 160 P C 0.202 177.510 177.300 0.014 0.000 1.161 160 P CA 1.102 64.213 63.100 0.017 0.000 0.788 160 P CB 0.709 32.411 31.700 0.003 0.000 0.822 161 A N -0.733 122.088 122.820 0.003 0.000 2.581 161 A HA 0.493 4.813 4.320 0.001 0.000 0.290 161 A C -1.640 175.936 177.584 -0.013 0.000 1.119 161 A CA -0.592 51.442 52.037 -0.004 0.000 0.670 161 A CB 0.166 19.147 19.000 -0.033 0.000 1.280 161 A HN -0.224 nan 8.150 nan 0.000 0.425 162 D N 0.862 121.257 120.400 -0.009 0.000 2.339 162 D HA 0.538 5.179 4.640 0.001 0.000 0.256 162 D C -0.636 175.603 176.300 -0.101 0.000 1.214 162 D CA 0.897 54.877 54.000 -0.034 0.000 0.877 162 D CB 0.396 41.227 40.800 0.051 0.000 1.111 162 D HN 0.383 nan 8.370 nan 0.000 0.478 163 I N 2.065 122.537 120.570 -0.164 0.000 2.569 163 I HA 0.273 4.444 4.170 0.001 0.000 0.296 163 I C 0.318 176.337 176.117 -0.163 0.000 1.028 163 I CA -1.015 60.202 61.300 -0.138 0.000 1.082 163 I CB 1.804 39.741 38.000 -0.105 0.000 1.264 163 I HN -0.066 nan 8.210 nan 0.000 0.429 164 R N 5.884 126.325 120.500 -0.098 0.000 2.265 164 R HA 0.485 4.826 4.340 0.001 0.000 0.314 164 R C -0.789 175.476 176.300 -0.058 0.000 1.053 164 R CA -0.634 55.421 56.100 -0.076 0.000 0.931 164 R CB 0.493 30.776 30.300 -0.029 0.000 1.024 164 R HN 0.561 nan 8.270 nan 0.000 0.457 165 I N 6.089 126.620 120.570 -0.064 0.000 2.496 165 I HA -0.048 4.122 4.170 0.001 0.000 0.285 165 I C 1.443 177.557 176.117 -0.006 0.000 1.080 165 I CA 0.075 61.352 61.300 -0.038 0.000 1.404 165 I CB 0.806 38.779 38.000 -0.046 0.000 1.403 165 I HN 0.485 nan 8.210 nan 0.000 0.539 166 L N 3.882 125.107 121.223 0.003 0.000 2.388 166 L HA 0.185 4.526 4.340 0.001 0.000 0.209 166 L C 0.738 177.616 176.870 0.014 0.000 1.061 166 L CA 0.563 55.411 54.840 0.013 0.000 0.834 166 L CB 0.273 42.339 42.059 0.012 0.000 1.029 166 L HN 0.653 nan 8.230 nan 0.000 0.473 167 S N -0.300 115.407 115.700 0.012 0.000 2.592 167 S HA 0.466 4.937 4.470 0.001 0.000 0.275 167 S C -1.066 173.544 174.600 0.017 0.000 1.169 167 S CA -0.588 57.620 58.200 0.013 0.000 0.958 167 S CB 1.041 64.242 63.200 0.001 0.000 1.095 167 S HN 0.070 nan 8.310 nan 0.000 0.471 168 I N 5.603 126.187 120.570 0.023 0.000 2.315 168 I HA 0.381 4.551 4.170 0.001 0.000 0.291 168 I C 0.971 177.103 176.117 0.025 0.000 1.006 168 I CA -0.620 60.698 61.300 0.029 0.000 1.265 168 I CB 1.344 39.368 38.000 0.040 0.000 1.387 168 I HN 0.588 nan 8.210 nan 0.000 0.475 169 K N 3.393 123.810 120.400 0.027 0.000 2.262 169 K HA 0.086 4.407 4.320 0.001 0.000 0.200 169 K C 0.858 177.475 176.600 0.029 0.000 1.049 169 K CA 0.414 56.715 56.287 0.025 0.000 0.979 169 K CB -0.157 32.360 32.500 0.028 0.000 0.773 169 K HN 0.670 nan 8.250 nan 0.000 0.474 170 S N 0.049 115.772 115.700 0.040 0.000 2.686 170 S HA 0.175 4.646 4.470 0.001 0.000 0.270 170 S C 1.301 175.931 174.600 0.050 0.000 1.194 170 S CA -0.504 57.726 58.200 0.050 0.000 0.990 170 S CB 0.871 64.108 63.200 0.062 0.000 1.029 170 S HN 0.033 nan 8.310 nan 0.000 0.560 171 T N 1.394 115.986 114.554 0.063 0.000 2.788 171 T HA 0.064 4.414 4.350 0.001 0.000 0.268 171 T C 0.914 175.663 174.700 0.083 0.000 1.044 171 T CA 1.621 63.755 62.100 0.056 0.000 1.139 171 T CB -0.579 68.337 68.868 0.080 0.000 0.867 171 T HN 0.989 nan 8.240 nan 0.000 0.454 172 T N -0.892 113.732 114.554 0.116 0.000 2.868 172 T HA 0.631 4.982 4.350 0.001 0.000 0.306 172 T C -1.657 173.105 174.700 0.103 0.000 1.224 172 T CA -1.058 61.124 62.100 0.136 0.000 1.012 172 T CB 1.882 70.888 68.868 0.230 0.000 1.221 172 T HN -0.017 nan 8.240 nan 0.000 0.499 173 L N 1.845 123.120 121.223 0.087 0.000 2.319 173 L HA 0.656 4.997 4.340 0.001 0.000 0.281 173 L C -0.543 176.359 176.870 0.053 0.000 1.005 173 L CA -0.600 54.275 54.840 0.059 0.000 0.828 173 L CB 1.121 43.204 42.059 0.040 0.000 1.227 173 L HN 0.623 nan 8.230 nan 0.000 0.415 174 R N 4.953 125.479 120.500 0.043 0.000 2.255 174 R HA 0.635 4.976 4.340 0.001 0.000 0.326 174 R C -1.241 175.074 176.300 0.025 0.000 0.986 174 R CA -0.653 55.464 56.100 0.028 0.000 0.847 174 R CB 1.534 31.844 30.300 0.016 0.000 1.111 174 R HN 0.436 nan 8.270 nan 0.000 0.452 175 V N 2.100 122.029 119.914 0.026 0.000 2.604 175 V HA 0.152 4.273 4.120 0.001 0.000 0.305 175 V C -0.347 175.769 176.094 0.038 0.000 1.043 175 V CA -0.927 61.393 62.300 0.034 0.000 0.888 175 V CB 2.329 34.176 31.823 0.039 0.000 0.995 175 V HN 0.574 nan 8.190 nan 0.000 0.429 176 D N 3.303 123.728 120.400 0.042 0.000 2.443 176 D HA 0.288 4.928 4.640 0.001 0.000 0.221 176 D C 0.343 176.672 176.300 0.048 0.000 1.097 176 D CA -0.171 53.853 54.000 0.041 0.000 0.865 176 D CB 1.325 42.150 40.800 0.040 0.000 1.034 176 D HN 0.580 nan 8.370 nan 0.000 0.511 177 Q N 1.932 121.758 119.800 0.043 0.000 2.201 177 Q HA 0.055 4.396 4.340 0.001 0.000 0.217 177 Q C 1.535 177.529 176.000 -0.010 0.000 0.860 177 Q CA -0.146 55.679 55.803 0.036 0.000 0.984 177 Q CB 0.444 29.217 28.738 0.060 0.000 1.095 177 Q HN 0.562 nan 8.270 nan 0.000 0.477 178 S N 0.953 116.650 115.700 -0.004 0.000 2.420 178 S HA -0.223 4.248 4.470 0.001 0.000 0.237 178 S C 1.960 176.520 174.600 -0.066 0.000 1.023 178 S CA 1.400 59.588 58.200 -0.021 0.000 0.991 178 S CB -0.767 62.435 63.200 0.004 0.000 0.792 178 S HN 0.656 nan 8.310 nan 0.000 0.488 179 I N -1.695 118.810 120.570 -0.109 0.000 2.756 179 I HA 0.086 4.256 4.170 0.001 0.000 0.262 179 I C 1.877 177.888 176.117 -0.177 0.000 1.225 179 I CA 1.174 62.347 61.300 -0.210 0.000 1.472 179 I CB -0.352 37.416 38.000 -0.386 0.000 1.094 179 I HN 0.230 nan 8.210 nan 0.000 0.454 180 L N 0.475 121.612 121.223 -0.144 0.000 2.575 180 L HA 0.170 4.510 4.340 0.001 0.000 0.228 180 L C 2.068 178.865 176.870 -0.121 0.000 1.075 180 L CA 0.910 55.651 54.840 -0.165 0.000 0.867 180 L CB 0.061 41.966 42.059 -0.256 0.000 1.097 180 L HN 0.429 nan 8.230 nan 0.000 0.485 181 T N -5.568 108.935 114.554 -0.084 0.000 2.958 181 T HA 0.281 4.632 4.350 0.001 0.000 0.256 181 T C 1.457 176.137 174.700 -0.033 0.000 0.983 181 T CA 0.627 62.697 62.100 -0.051 0.000 0.924 181 T CB 1.117 69.965 68.868 -0.035 0.000 1.136 181 T HN 0.270 nan 8.240 nan 0.000 0.506 182 G N 1.553 110.331 108.800 -0.037 0.000 2.205 182 G HA2 -0.213 3.748 3.960 0.001 0.000 0.261 182 G HA3 -0.213 3.748 3.960 0.001 0.000 0.261 182 G C -0.150 174.746 174.900 -0.006 0.000 0.980 182 G CA 0.193 45.280 45.100 -0.022 0.000 0.632 182 G HN 0.617 nan 8.290 nan 0.000 0.533 183 E N 0.614 120.812 120.200 -0.003 0.000 2.249 183 E HA 0.495 4.845 4.350 0.001 0.000 0.280 183 E C 1.270 177.880 176.600 0.016 0.000 1.016 183 E CA 0.258 56.663 56.400 0.009 0.000 0.830 183 E CB 1.462 31.168 29.700 0.009 0.000 1.081 183 E HN 0.428 nan 8.360 nan 0.000 0.395 184 S N 1.042 116.758 115.700 0.027 0.000 2.528 184 S HA -0.009 4.461 4.470 0.001 0.000 0.219 184 S C 1.046 175.663 174.600 0.028 0.000 0.985 184 S CA -0.351 57.869 58.200 0.034 0.000 0.914 184 S CB 0.150 63.381 63.200 0.051 0.000 0.776 184 S HN 0.296 nan 8.310 nan 0.000 0.526 185 V N 4.492 124.420 119.914 0.024 0.000 2.557 185 V HA 0.265 4.385 4.120 0.001 0.000 0.301 185 V C 0.518 176.617 176.094 0.008 0.000 1.026 185 V CA 0.023 62.331 62.300 0.013 0.000 1.137 185 V CB 0.180 32.010 31.823 0.011 0.000 0.917 185 V HN 0.687 nan 8.190 nan 0.000 0.484 186 S N 6.695 122.392 115.700 -0.004 0.000 2.549 186 S HA 0.387 4.858 4.470 0.001 0.000 0.279 186 S C -0.248 174.350 174.600 -0.003 0.000 1.321 186 S CA -0.063 58.136 58.200 -0.002 0.000 1.054 186 S CB 1.376 64.568 63.200 -0.013 0.000 0.899 186 S HN 1.683 nan 8.310 nan 0.000 0.497 187 V N 3.954 123.878 119.914 0.016 0.000 2.539 187 V HA 0.547 4.667 4.120 0.001 0.000 0.292 187 V C -0.460 175.652 176.094 0.030 0.000 1.045 187 V CA -1.138 61.178 62.300 0.026 0.000 0.945 187 V CB 0.806 32.654 31.823 0.041 0.000 0.993 187 V HN 0.849 nan 8.190 nan 0.000 0.464 188 I N 6.291 126.891 120.570 0.049 0.000 2.337 188 I HA 0.461 4.632 4.170 0.001 0.000 0.291 188 I C 0.546 176.704 176.117 0.069 0.000 1.046 188 I CA -0.184 61.166 61.300 0.083 0.000 1.324 188 I CB 0.657 38.752 38.000 0.157 0.000 1.409 188 I HN 0.685 nan 8.210 nan 0.000 0.494 189 K N 5.797 126.219 120.400 0.037 0.000 2.090 189 K HA 0.509 4.830 4.320 0.001 0.000 0.249 189 K C -0.180 176.437 176.600 0.027 0.000 0.995 189 K CA -0.529 55.733 56.287 -0.042 0.000 0.914 189 K CB 1.504 33.969 32.500 -0.057 0.000 1.057 189 K HN 0.731 nan 8.250 nan 0.000 0.462 190 H N -3.573 115.519 119.070 0.037 0.000 2.942 190 H HA 0.338 4.894 4.556 0.001 0.000 0.316 190 H C 0.190 175.530 175.328 0.019 0.000 1.323 190 H CA -0.719 55.347 56.048 0.031 0.000 1.144 190 H CB 0.641 30.425 29.762 0.037 0.000 1.866 190 H HN 0.501 nan 8.280 nan 0.000 0.545 191 T N -3.086 111.658 114.554 0.318 0.000 3.054 191 T HA 0.245 4.596 4.350 0.001 0.000 0.255 191 T C 0.081 174.914 174.700 0.221 0.000 1.035 191 T CA -0.315 61.900 62.100 0.193 0.000 0.941 191 T CB -0.286 68.638 68.868 0.093 0.000 1.026 191 T HN 0.583 nan 8.240 nan 0.000 0.533 192 E N 3.393 123.777 120.200 0.307 0.000 2.404 192 E HA 0.237 4.588 4.350 0.001 0.000 0.261 192 E C -2.379 174.338 176.600 0.195 0.000 1.074 192 E CA -1.994 54.473 56.400 0.111 0.000 0.917 192 E CB 0.328 29.944 29.700 -0.140 0.000 0.965 192 E HN 0.312 nan 8.360 nan 0.000 0.433 193 P HA 0.029 nan 4.420 nan 0.000 0.274 193 P C -0.658 176.728 177.300 0.143 0.000 1.231 193 P CA -0.142 63.018 63.100 0.101 0.000 0.790 193 P CB 0.730 32.454 31.700 0.040 0.000 0.951 194 V N 5.048 125.064 119.914 0.170 0.000 2.266 194 V HA 0.124 4.245 4.120 0.001 0.000 0.271 194 V C -1.371 174.838 176.094 0.192 0.000 1.032 194 V CA -1.566 60.865 62.300 0.218 0.000 0.806 194 V CB 0.748 32.749 31.823 0.297 0.000 1.052 194 V HN 0.458 nan 8.190 nan 0.000 0.449 195 P HA -0.212 nan 4.420 nan 0.000 0.218 195 P C 0.622 177.980 177.300 0.097 0.000 1.165 195 P CA 1.244 64.386 63.100 0.070 0.000 0.922 195 P CB 0.077 31.811 31.700 0.057 0.000 0.794 196 D N -0.282 120.198 120.400 0.133 0.000 2.554 196 D HA -0.074 4.566 4.640 0.001 0.000 0.251 196 D C -1.108 175.336 176.300 0.241 0.000 1.213 196 D CA -1.075 53.013 54.000 0.146 0.000 0.900 196 D CB 0.228 41.102 40.800 0.123 0.000 1.135 196 D HN 0.195 nan 8.370 nan 0.000 0.522 197 P HA -0.121 nan 4.420 nan 0.000 0.221 197 P C 0.630 178.056 177.300 0.209 0.000 1.150 197 P CA 0.768 63.984 63.100 0.193 0.000 0.800 197 P CB 0.330 32.083 31.700 0.087 0.000 0.787 198 R N -0.234 120.352 120.500 0.143 0.000 2.388 198 R HA 0.373 4.713 4.340 0.001 0.000 0.247 198 R C 0.789 177.139 176.300 0.082 0.000 0.931 198 R CA -0.302 55.862 56.100 0.106 0.000 1.082 198 R CB 0.012 30.366 30.300 0.090 0.000 1.135 198 R HN 0.091 nan 8.270 nan 0.000 0.525 199 A N 1.284 124.145 122.820 0.068 0.000 2.561 199 A HA 0.121 4.441 4.320 0.001 0.000 0.234 199 A C 0.618 178.174 177.584 -0.046 0.000 1.055 199 A CA 0.076 52.110 52.037 -0.006 0.000 0.756 199 A CB 0.389 19.342 19.000 -0.078 0.000 0.986 199 A HN 0.044 nan 8.150 nan 0.000 0.505 200 V N 2.569 122.481 119.914 -0.002 0.000 2.997 200 V HA 0.084 4.205 4.120 0.001 0.000 0.311 200 V C 1.432 177.506 176.094 -0.034 0.000 1.066 200 V CA -0.484 61.821 62.300 0.009 0.000 1.039 200 V CB 1.315 33.174 31.823 0.061 0.000 1.081 200 V HN 1.043 nan 8.190 nan 0.000 0.467 201 N N 1.876 120.527 118.700 -0.081 0.000 2.061 201 N HA -0.195 4.545 4.740 0.001 0.000 0.193 201 N C 1.663 177.169 175.510 -0.006 0.000 1.030 201 N CA 1.589 54.552 53.050 -0.146 0.000 0.856 201 N CB -0.248 37.971 38.487 -0.445 0.000 1.023 201 N HN 0.768 nan 8.380 nan 0.000 0.424 202 Q N 0.358 120.151 119.800 -0.012 0.000 2.437 202 Q HA -0.047 4.294 4.340 0.001 0.000 0.210 202 Q C 0.230 176.259 176.000 0.049 0.000 0.972 202 Q CA 0.938 56.758 55.803 0.028 0.000 0.903 202 Q CB -0.108 28.640 28.738 0.017 0.000 0.967 202 Q HN 0.401 nan 8.270 nan 0.000 0.486 203 D N 1.457 121.882 120.400 0.041 0.000 2.327 203 D HA 0.028 4.669 4.640 0.001 0.000 0.205 203 D C 0.063 176.393 176.300 0.050 0.000 0.989 203 D CA 0.304 54.333 54.000 0.049 0.000 0.873 203 D CB 0.276 41.098 40.800 0.037 0.000 0.955 203 D HN 0.281 nan 8.370 nan 0.000 0.515 204 K N 1.755 122.187 120.400 0.053 0.000 2.480 204 K HA 0.121 4.442 4.320 0.001 0.000 0.241 204 K C 0.849 177.457 176.600 0.012 0.000 1.261 204 K CA 0.003 56.320 56.287 0.051 0.000 1.193 204 K CB 0.261 32.836 32.500 0.125 0.000 1.598 204 K HN -0.029 nan 8.250 nan 0.000 0.278 205 K N 0.653 121.009 120.400 -0.073 0.000 2.555 205 K HA -0.103 4.218 4.320 0.001 0.000 0.193 205 K C 0.868 177.198 176.600 -0.450 0.000 1.032 205 K CA 0.804 56.951 56.287 -0.234 0.000 1.004 205 K CB -0.147 32.200 32.500 -0.254 0.000 0.804 205 K HN 0.552 nan 8.250 nan 0.000 0.496 206 N N -0.587 117.924 118.700 -0.315 0.000 2.187 206 N HA 0.080 4.820 4.740 0.001 0.000 0.212 206 N C -0.171 175.238 175.510 -0.168 0.000 1.152 206 N CA -0.289 52.623 53.050 -0.230 0.000 0.872 206 N CB 0.407 38.858 38.487 -0.059 0.000 1.025 206 N HN -0.113 nan 8.380 nan 0.000 0.514 207 M N 1.300 120.751 119.600 -0.249 0.000 2.598 207 M HA 0.462 4.942 4.480 0.001 0.000 0.317 207 M C -0.885 175.052 176.300 -0.605 0.000 1.179 207 M CA -0.646 54.386 55.300 -0.446 0.000 0.936 207 M CB 2.404 34.610 32.600 -0.657 0.000 1.713 207 M HN 0.018 nan 8.290 nan 0.000 0.460 208 L N 1.871 122.732 121.223 -0.604 0.000 2.365 208 L HA 0.597 4.937 4.340 0.001 0.000 0.273 208 L C -1.395 175.155 176.870 -0.533 0.000 1.000 208 L CA -0.453 54.131 54.840 -0.427 0.000 0.819 208 L CB 1.706 43.654 42.059 -0.186 0.000 1.284 208 L HN 0.527 nan 8.230 nan 0.000 0.418 209 F N 0.557 120.498 119.950 -0.016 0.000 2.469 209 F HA 0.300 4.827 4.527 0.001 0.000 0.332 209 F C 0.861 176.654 175.800 -0.011 0.000 1.103 209 F CA -0.641 57.348 58.000 -0.018 0.000 0.979 209 F CB 1.965 40.949 39.000 -0.027 0.000 1.137 209 F HN 0.330 nan 8.300 nan 0.000 0.463 210 S N 1.776 117.579 115.700 0.173 0.000 2.575 210 S HA 0.349 4.819 4.470 0.001 0.000 0.295 210 S C 1.014 175.677 174.600 0.105 0.000 1.267 210 S CA 1.168 59.431 58.200 0.105 0.000 1.074 210 S CB -0.139 63.109 63.200 0.081 0.000 0.829 210 S HN 1.158 nan 8.310 nan 0.000 0.497 211 G N 3.542 112.406 108.800 0.106 0.000 2.254 211 G HA2 -0.216 3.744 3.960 0.001 0.000 0.225 211 G HA3 -0.216 3.744 3.960 0.001 0.000 0.225 211 G C 0.387 175.362 174.900 0.125 0.000 1.003 211 G CA 0.181 45.358 45.100 0.128 0.000 0.622 211 G HN 0.846 nan 8.290 nan 0.000 0.507 212 T N 2.588 117.204 114.554 0.104 0.000 2.788 212 T HA 0.520 4.871 4.350 0.001 0.000 0.287 212 T C 0.260 175.016 174.700 0.093 0.000 1.007 212 T CA 0.438 62.596 62.100 0.097 0.000 1.005 212 T CB 0.873 69.816 68.868 0.125 0.000 1.012 212 T HN 0.777 nan 8.240 nan 0.000 0.530 213 N N 0.237 118.985 118.700 0.080 0.000 2.284 213 N HA 0.361 5.101 4.740 0.001 0.000 0.289 213 N C -1.673 173.866 175.510 0.048 0.000 1.179 213 N CA -0.758 52.331 53.050 0.064 0.000 0.774 213 N CB 1.403 39.931 38.487 0.068 0.000 1.548 213 N HN 0.256 nan 8.380 nan 0.000 0.473 214 I N 1.308 121.900 120.570 0.038 0.000 2.352 214 I HA 0.231 4.401 4.170 0.001 0.000 0.290 214 I C 1.460 177.595 176.117 0.029 0.000 1.036 214 I CA -0.223 61.096 61.300 0.031 0.000 1.336 214 I CB 1.176 39.193 38.000 0.027 0.000 1.407 214 I HN 0.848 nan 8.210 nan 0.000 0.497 215 A N 5.123 127.959 122.820 0.027 0.000 1.975 215 A HA 0.673 4.994 4.320 0.001 0.000 0.215 215 A C 0.961 178.558 177.584 0.022 0.000 1.170 215 A CA 1.111 53.161 52.037 0.021 0.000 0.656 215 A CB -0.014 18.995 19.000 0.015 0.000 0.821 215 A HN 0.808 nan 8.150 nan 0.000 0.449 216 A N -2.996 119.841 122.820 0.028 0.000 2.594 216 A HA 0.636 4.957 4.320 0.001 0.000 0.296 216 A C 0.190 177.800 177.584 0.043 0.000 1.056 216 A CA 0.187 52.245 52.037 0.036 0.000 0.693 216 A CB -0.057 18.965 19.000 0.038 0.000 1.278 216 A HN 2.155 nan 8.150 nan 0.000 0.408 217 G N 0.200 109.029 108.800 0.048 0.000 2.483 217 G HA2 0.417 4.377 3.960 0.001 0.000 0.521 217 G HA3 0.417 4.377 3.960 0.001 0.000 0.521 217 G C -0.690 174.236 174.900 0.043 0.000 1.278 217 G CA -0.070 45.061 45.100 0.051 0.000 0.965 217 G HN 1.456 nan 8.290 nan 0.000 0.504 218 K N -0.608 119.818 120.400 0.043 0.000 2.550 218 K HA 0.731 5.052 4.320 0.001 0.000 0.252 218 K C -0.591 176.033 176.600 0.039 0.000 0.943 218 K CA -0.044 56.267 56.287 0.041 0.000 0.806 218 K CB 1.578 34.105 32.500 0.044 0.000 1.289 218 K HN 2.120 nan 8.250 nan 0.000 0.435 219 A N 2.941 125.783 122.820 0.038 0.000 2.609 219 A HA 0.714 5.034 4.320 0.001 0.000 0.291 219 A C -2.247 175.362 177.584 0.041 0.000 1.096 219 A CA -0.732 51.325 52.037 0.033 0.000 0.684 219 A CB 1.580 20.592 19.000 0.021 0.000 1.282 219 A HN 0.533 nan 8.150 nan 0.000 0.412 220 L N 0.450 121.694 121.223 0.035 0.000 2.346 220 L HA 0.904 5.244 4.340 0.001 0.000 0.274 220 L C 0.340 177.224 176.870 0.023 0.000 1.007 220 L CA 0.640 55.507 54.840 0.045 0.000 0.818 220 L CB 1.950 44.029 42.059 0.033 0.000 1.284 220 L HN 1.293 nan 8.230 nan 0.000 0.424 221 G N 3.626 112.440 108.800 0.023 0.000 2.721 221 G HA2 0.530 4.491 3.960 0.001 0.000 0.296 221 G HA3 0.530 4.491 3.960 0.001 0.000 0.296 221 G C -2.010 172.891 174.900 0.001 0.000 1.383 221 G CA -0.566 44.535 45.100 0.002 0.000 0.788 221 G HN 0.733 nan 8.290 nan 0.000 0.500 222 I N 0.411 120.974 120.570 -0.013 0.000 2.465 222 I HA 0.562 4.733 4.170 0.001 0.000 0.291 222 I C -0.378 175.695 176.117 -0.074 0.000 1.014 222 I CA -0.969 60.313 61.300 -0.029 0.000 1.093 222 I CB 1.960 39.976 38.000 0.027 0.000 1.267 222 I HN 0.288 nan 8.210 nan 0.000 0.431 223 V N 8.105 127.930 119.914 -0.148 0.000 2.529 223 V HA 0.151 4.272 4.120 0.001 0.000 0.292 223 V C 1.076 177.050 176.094 -0.200 0.000 1.028 223 V CA 0.833 63.027 62.300 -0.178 0.000 1.074 223 V CB 0.680 32.373 31.823 -0.215 0.000 0.958 223 V HN 0.975 nan 8.190 nan 0.000 0.481 224 A N 4.329 127.087 122.820 -0.104 0.000 1.942 224 A HA 0.355 4.676 4.320 0.001 0.000 0.209 224 A C 1.018 178.557 177.584 -0.076 0.000 1.214 224 A CA 1.020 53.044 52.037 -0.022 0.000 0.686 224 A CB 0.247 19.232 19.000 -0.026 0.000 0.871 224 A HN 0.891 nan 8.150 nan 0.000 0.460 225 T N -3.110 111.383 114.554 -0.101 0.000 2.868 225 T HA 0.601 4.952 4.350 0.001 0.000 0.306 225 T C -0.485 174.163 174.700 -0.088 0.000 1.224 225 T CA 0.164 62.197 62.100 -0.112 0.000 1.012 225 T CB 1.578 70.419 68.868 -0.045 0.000 1.221 225 T HN 0.784 nan 8.240 nan 0.000 0.499 226 T N -2.179 112.329 114.554 -0.075 0.000 2.696 226 T HA 0.817 5.168 4.350 0.001 0.000 0.291 226 T C 1.015 175.720 174.700 0.010 0.000 1.095 226 T CA 0.139 62.221 62.100 -0.030 0.000 1.026 226 T CB 0.980 69.825 68.868 -0.039 0.000 1.390 226 T HN 2.253 nan 8.240 nan 0.000 0.513 227 G N 0.112 108.931 108.800 0.031 0.000 2.611 227 G HA2 -0.291 3.670 3.960 0.001 0.000 0.301 227 G HA3 -0.291 3.670 3.960 0.001 0.000 0.301 227 G C 0.949 175.873 174.900 0.040 0.000 1.233 227 G CA 0.675 45.803 45.100 0.048 0.000 0.993 227 G HN 1.559 nan 8.290 nan 0.000 0.553 228 V N 1.053 120.992 119.914 0.042 0.000 2.970 228 V HA -0.015 4.105 4.120 0.001 0.000 0.260 228 V C 2.650 178.761 176.094 0.028 0.000 1.100 228 V CA 2.507 64.827 62.300 0.033 0.000 1.122 228 V CB 0.180 32.023 31.823 0.033 0.000 0.721 228 V HN 0.629 nan 8.190 nan 0.000 0.483 229 S N 0.039 115.758 115.700 0.032 0.000 2.607 229 S HA -0.006 4.465 4.470 0.001 0.000 0.224 229 S C 1.109 175.727 174.600 0.030 0.000 0.969 229 S CA 0.643 58.861 58.200 0.029 0.000 0.927 229 S CB -0.388 62.828 63.200 0.027 0.000 0.772 229 S HN 0.850 nan 8.310 nan 0.000 0.533 230 T N -0.568 114.006 114.554 0.034 0.000 2.862 230 T HA 0.357 4.708 4.350 0.001 0.000 0.276 230 T C 0.981 175.704 174.700 0.038 0.000 0.974 230 T CA -0.744 61.389 62.100 0.056 0.000 0.966 230 T CB 0.806 69.712 68.868 0.063 0.000 1.072 230 T HN -0.162 nan 8.240 nan 0.000 0.538 231 E N 0.031 120.262 120.200 0.051 0.000 2.051 231 E HA -0.071 4.279 4.350 0.001 0.000 0.192 231 E C 1.847 178.412 176.600 -0.059 0.000 0.991 231 E CA 0.896 57.267 56.400 -0.048 0.000 0.799 231 E CB -0.350 29.238 29.700 -0.187 0.000 0.748 231 E HN 0.719 nan 8.360 nan 0.000 0.449 232 I N 0.604 121.156 120.570 -0.030 0.000 2.756 232 I HA -0.117 4.053 4.170 0.001 0.000 0.262 232 I C 1.937 178.042 176.117 -0.020 0.000 1.225 232 I CA 1.007 62.283 61.300 -0.039 0.000 1.472 232 I CB -0.083 37.906 38.000 -0.018 0.000 1.094 232 I HN 0.029 nan 8.210 nan 0.000 0.454 233 G N 0.583 109.381 108.800 -0.003 0.000 2.403 233 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 233 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 233 G C 1.680 176.574 174.900 -0.011 0.000 1.154 233 G CA 0.312 45.414 45.100 0.003 0.000 0.784 233 G HN 0.322 nan 8.290 nan 0.000 0.538 234 K N -0.002 120.383 120.400 -0.025 0.000 2.097 234 K HA 0.066 4.387 4.320 0.001 0.000 0.206 234 K C 2.372 178.943 176.600 -0.047 0.000 1.049 234 K CA 0.781 57.045 56.287 -0.039 0.000 0.933 234 K CB -0.217 32.249 32.500 -0.056 0.000 0.717 234 K HN 0.309 nan 8.250 nan 0.000 0.442 235 I N 1.019 121.556 120.570 -0.055 0.000 2.226 235 I HA -0.289 3.881 4.170 0.001 0.000 0.245 235 I C 2.758 178.852 176.117 -0.039 0.000 1.100 235 I CA 1.008 62.274 61.300 -0.058 0.000 1.374 235 I CB -0.274 37.683 38.000 -0.071 0.000 1.057 235 I HN 0.181 nan 8.210 nan 0.000 0.413 236 R N 1.218 121.703 120.500 -0.025 0.000 2.073 236 R HA -0.202 4.138 4.340 0.001 0.000 0.234 236 R C 1.674 177.966 176.300 -0.013 0.000 1.134 236 R CA 2.071 58.164 56.100 -0.012 0.000 0.952 236 R CB -0.567 29.734 30.300 0.002 0.000 0.850 236 R HN 0.304 nan 8.270 nan 0.000 0.433 237 D N 0.610 121.001 120.400 -0.015 0.000 2.144 237 D HA -0.140 4.500 4.640 0.001 0.000 0.199 237 D C 2.048 178.334 176.300 -0.023 0.000 0.984 237 D CA 0.941 54.932 54.000 -0.015 0.000 0.834 237 D CB -0.121 40.671 40.800 -0.014 0.000 0.955 237 D HN 0.308 nan 8.370 nan 0.000 0.465 238 Q N -0.541 119.239 119.800 -0.033 0.000 2.167 238 Q HA -0.057 4.284 4.340 0.001 0.000 0.202 238 Q C 1.927 177.907 176.000 -0.034 0.000 0.970 238 Q CA 0.703 56.482 55.803 -0.040 0.000 0.855 238 Q CB -0.044 28.662 28.738 -0.052 0.000 0.911 238 Q HN 0.331 nan 8.270 nan 0.000 0.438 239 M N -0.464 119.119 119.600 -0.029 0.000 2.460 239 M HA -0.017 4.463 4.480 0.001 0.000 0.263 239 M C 1.390 177.679 176.300 -0.019 0.000 1.071 239 M CA 0.547 55.833 55.300 -0.023 0.000 1.096 239 M CB -0.753 31.837 32.600 -0.017 0.000 1.408 239 M HN -0.021 nan 8.290 nan 0.000 0.463 240 A N 0.766 123.575 122.820 -0.017 0.000 2.543 240 A HA 0.456 4.777 4.320 0.001 0.000 0.258 240 A C 0.952 178.526 177.584 -0.017 0.000 1.391 240 A CA 0.093 52.122 52.037 -0.014 0.000 1.066 240 A CB -0.993 18.001 19.000 -0.010 0.000 0.972 240 A HN 0.324 nan 8.150 nan 0.000 0.560 241 A N 0.043 122.851 122.820 -0.020 0.000 3.056 241 A HA 0.413 4.734 4.320 0.001 0.000 0.274 241 A C 1.283 178.856 177.584 -0.019 0.000 1.661 241 A CA 0.173 52.197 52.037 -0.022 0.000 1.363 241 A CB -0.790 18.194 19.000 -0.028 0.000 1.139 241 A HN 0.358 nan 8.150 nan 0.000 0.598 242 T N 0.681 115.226 114.554 -0.015 0.000 2.867 242 T HA -0.059 4.291 4.350 0.001 0.000 0.268 242 T C 0.686 175.378 174.700 -0.012 0.000 1.057 242 T CA 0.860 62.953 62.100 -0.012 0.000 1.136 242 T CB -0.153 68.710 68.868 -0.009 0.000 0.874 242 T HN 0.635 nan 8.240 nan 0.000 0.466 243 E N 3.044 123.237 120.200 -0.013 0.000 2.562 243 E HA -0.010 4.341 4.350 0.001 0.000 0.241 243 E C 0.023 176.616 176.600 -0.013 0.000 1.136 243 E CA 0.252 56.645 56.400 -0.012 0.000 0.952 243 E CB -0.194 29.498 29.700 -0.013 0.000 0.975 243 E HN 0.560 nan 8.360 nan 0.000 0.494 244 Q N 2.754 122.547 119.800 -0.011 0.000 2.295 244 Q HA 0.024 4.365 4.340 0.001 0.000 0.259 244 Q C -0.529 175.466 176.000 -0.009 0.000 0.976 244 Q CA -0.219 55.577 55.803 -0.011 0.000 0.923 244 Q CB 0.693 29.425 28.738 -0.010 0.000 1.185 244 Q HN 0.287 nan 8.270 nan 0.000 0.410 245 D N 3.808 124.202 120.400 -0.010 0.000 2.198 245 D HA 0.196 4.836 4.640 0.001 0.000 0.245 245 D C -0.839 175.457 176.300 -0.006 0.000 1.079 245 D CA -0.303 53.692 54.000 -0.008 0.000 0.854 245 D CB 0.954 41.748 40.800 -0.011 0.000 1.148 245 D HN 0.434 nan 8.370 nan 0.000 0.456 246 K N 1.437 121.836 120.400 -0.001 0.000 2.218 246 K HA 0.202 4.523 4.320 0.001 0.000 0.276 246 K C 0.721 177.322 176.600 0.001 0.000 1.022 246 K CA -0.539 55.750 56.287 0.003 0.000 0.946 246 K CB 0.961 33.466 32.500 0.010 0.000 1.000 246 K HN 0.481 nan 8.250 nan 0.000 0.468 247 T N -0.641 113.913 114.554 0.000 0.000 2.734 247 T HA 0.036 4.386 4.350 0.001 0.000 0.314 247 T C -1.284 173.415 174.700 -0.001 0.000 1.057 247 T CA -1.278 60.818 62.100 -0.006 0.000 1.047 247 T CB 0.366 69.229 68.868 -0.008 0.000 0.991 247 T HN 0.361 nan 8.240 nan 0.000 0.540 248 P HA -0.128 nan 4.420 nan 0.000 0.215 248 P C 1.828 179.140 177.300 0.019 0.000 1.157 248 P CA 0.759 63.853 63.100 -0.010 0.000 0.868 248 P CB -0.069 31.603 31.700 -0.047 0.000 0.788 249 L N 0.209 121.450 121.223 0.031 0.000 2.083 249 L HA -0.153 4.187 4.340 0.001 0.000 0.209 249 L C 2.597 179.502 176.870 0.058 0.000 1.083 249 L CA 1.866 56.758 54.840 0.085 0.000 0.752 249 L CB -1.562 40.583 42.059 0.144 0.000 0.899 249 L HN -0.096 nan 8.230 nan 0.000 0.433 250 Q N -1.115 118.710 119.800 0.042 0.000 2.167 250 Q HA -0.224 4.116 4.340 0.001 0.000 0.202 250 Q C 2.178 178.204 176.000 0.043 0.000 0.970 250 Q CA 1.659 57.486 55.803 0.038 0.000 0.855 250 Q CB -0.174 28.580 28.738 0.027 0.000 0.911 250 Q HN 0.679 nan 8.270 nan 0.000 0.438 251 Q N 0.242 120.065 119.800 0.038 0.000 2.123 251 Q HA -0.089 4.251 4.340 0.001 0.000 0.199 251 Q C 1.927 177.962 176.000 0.058 0.000 0.966 251 Q CA 0.680 56.508 55.803 0.041 0.000 0.845 251 Q CB 0.148 28.904 28.738 0.030 0.000 0.907 251 Q HN 0.118 nan 8.270 nan 0.000 0.439 252 K N 0.434 120.871 120.400 0.061 0.000 2.148 252 K HA -0.096 4.225 4.320 0.001 0.000 0.204 252 K C 1.877 178.534 176.600 0.095 0.000 1.050 252 K CA 0.733 57.065 56.287 0.075 0.000 0.942 252 K CB -0.051 32.490 32.500 0.068 0.000 0.724 252 K HN 0.141 nan 8.250 nan 0.000 0.446 253 L N 1.414 122.686 121.223 0.080 0.000 2.240 253 L HA -0.101 4.240 4.340 0.001 0.000 0.211 253 L C 1.606 178.578 176.870 0.169 0.000 1.106 253 L CA 1.485 56.389 54.840 0.108 0.000 0.793 253 L CB -0.265 41.832 42.059 0.063 0.000 0.927 253 L HN 0.058 nan 8.230 nan 0.000 0.446 254 D N -0.587 119.882 120.400 0.115 0.000 2.162 254 D HA -0.146 4.495 4.640 0.001 0.000 0.203 254 D C 1.973 178.329 176.300 0.094 0.000 0.967 254 D CA 1.115 55.172 54.000 0.094 0.000 0.840 254 D CB 0.171 41.006 40.800 0.058 0.000 0.972 254 D HN 0.560 nan 8.370 nan 0.000 0.482 255 E N 0.123 120.386 120.200 0.105 0.000 2.208 255 E HA -0.150 4.200 4.350 0.001 0.000 0.193 255 E C 1.976 178.645 176.600 0.115 0.000 0.988 255 E CA 0.436 56.889 56.400 0.089 0.000 0.828 255 E CB -0.620 29.132 29.700 0.087 0.000 0.763 255 E HN 0.200 nan 8.360 nan 0.000 0.478 256 F N 2.383 122.344 119.950 0.018 0.000 2.102 256 F HA 0.028 4.556 4.527 0.001 0.000 0.298 256 F C 2.223 178.027 175.800 0.007 0.000 1.105 256 F CA 2.032 60.040 58.000 0.014 0.000 1.239 256 F CB -0.697 38.309 39.000 0.010 0.000 0.991 256 F HN 0.079 nan 8.300 nan 0.000 0.474 257 G N -0.144 108.626 108.800 -0.051 0.000 2.443 257 G HA2 -0.181 3.780 3.960 0.001 0.000 0.219 257 G HA3 -0.181 3.780 3.960 0.001 0.000 0.219 257 G C 1.563 176.376 174.900 -0.145 0.000 1.131 257 G CA 0.627 45.633 45.100 -0.157 0.000 0.775 257 G HN 0.317 nan 8.290 nan 0.000 0.547 258 E N 0.579 120.734 120.200 -0.075 0.000 2.007 258 E HA -0.119 4.231 4.350 0.001 0.000 0.194 258 E C 2.738 179.284 176.600 -0.090 0.000 0.999 258 E CA 0.933 57.298 56.400 -0.057 0.000 0.811 258 E CB -0.301 29.389 29.700 -0.017 0.000 0.762 258 E HN 0.321 nan 8.360 nan 0.000 0.450 259 Q N 0.288 120.029 119.800 -0.099 0.000 2.170 259 Q HA -0.111 4.229 4.340 0.001 0.000 0.203 259 Q C 2.326 178.224 176.000 -0.169 0.000 0.976 259 Q CA 0.515 56.257 55.803 -0.101 0.000 0.858 259 Q CB -0.460 28.244 28.738 -0.057 0.000 0.907 259 Q HN 0.174 nan 8.270 nan 0.000 0.433 260 L N 1.173 122.214 121.223 -0.302 0.000 2.017 260 L HA -0.147 4.193 4.340 0.001 0.000 0.208 260 L C 2.257 179.003 176.870 -0.208 0.000 1.073 260 L CA 2.239 56.869 54.840 -0.350 0.000 0.745 260 L CB -0.861 40.834 42.059 -0.606 0.000 0.894 260 L HN 0.242 nan 8.230 nan 0.000 0.432 261 S N -1.739 113.860 115.700 -0.168 0.000 2.469 261 S HA -0.189 4.282 4.470 0.001 0.000 0.238 261 S C 1.978 176.521 174.600 -0.094 0.000 0.998 261 S CA 1.144 59.276 58.200 -0.113 0.000 0.957 261 S CB -0.313 62.835 63.200 -0.086 0.000 0.764 261 S HN 0.416 nan 8.310 nan 0.000 0.514 262 K N 1.430 121.773 120.400 -0.095 0.000 2.078 262 K HA 0.266 4.587 4.320 0.001 0.000 0.203 262 K C 1.902 178.457 176.600 -0.074 0.000 1.043 262 K CA 1.128 57.371 56.287 -0.072 0.000 0.960 262 K CB -0.794 31.671 32.500 -0.059 0.000 0.761 262 K HN 0.201 nan 8.250 nan 0.000 0.448 263 V N 1.624 121.484 119.914 -0.089 0.000 2.332 263 V HA -0.265 3.855 4.120 0.001 0.000 0.248 263 V C 2.236 178.274 176.094 -0.093 0.000 1.055 263 V CA 1.878 64.124 62.300 -0.091 0.000 1.038 263 V CB -0.477 31.282 31.823 -0.105 0.000 0.651 263 V HN 0.277 nan 8.190 nan 0.000 0.450 264 I N 1.199 121.712 120.570 -0.096 0.000 2.091 264 I HA -0.300 3.871 4.170 0.001 0.000 0.239 264 I C 2.770 178.849 176.117 -0.065 0.000 1.061 264 I CA 2.192 63.443 61.300 -0.081 0.000 1.317 264 I CB -0.628 37.321 38.000 -0.085 0.000 1.031 264 I HN 0.512 nan 8.210 nan 0.000 0.401 265 S N 1.009 116.667 115.700 -0.068 0.000 2.382 265 S HA -0.173 4.297 4.470 0.001 0.000 0.228 265 S C 2.083 176.659 174.600 -0.039 0.000 1.027 265 S CA 0.771 58.934 58.200 -0.063 0.000 0.991 265 S CB -0.744 62.413 63.200 -0.072 0.000 0.823 265 S HN 0.353 nan 8.310 nan 0.000 0.469 266 L N 1.721 122.920 121.223 -0.040 0.000 2.017 266 L HA 0.033 4.373 4.340 0.001 0.000 0.208 266 L C 2.332 179.199 176.870 -0.004 0.000 1.073 266 L CA 1.791 56.617 54.840 -0.023 0.000 0.745 266 L CB -1.063 40.972 42.059 -0.040 0.000 0.894 266 L HN 0.398 nan 8.230 nan 0.000 0.432 267 I N -1.098 119.452 120.570 -0.034 0.000 2.315 267 I HA -0.339 3.831 4.170 0.001 0.000 0.248 267 I C 2.694 178.876 176.117 0.108 0.000 1.117 267 I CA 0.942 62.234 61.300 -0.013 0.000 1.404 267 I CB -0.441 37.510 38.000 -0.082 0.000 1.071 267 I HN 0.303 nan 8.210 nan 0.000 0.419 268 C N 0.155 119.494 119.300 0.066 0.000 2.419 268 C HA -0.097 4.364 4.460 0.001 0.000 0.281 268 C C 2.861 177.953 174.990 0.170 0.000 1.336 268 C CA 0.492 59.570 59.018 0.100 0.000 1.770 268 C CB -0.760 26.984 27.740 0.007 0.000 1.929 268 C HN 0.358 nan 8.230 nan 0.000 0.509 269 V N 1.026 121.018 119.914 0.129 0.000 2.407 269 V HA -0.108 4.013 4.120 0.001 0.000 0.245 269 V C 2.695 178.954 176.094 0.274 0.000 1.041 269 V CA 1.945 64.353 62.300 0.180 0.000 1.040 269 V CB -1.192 30.692 31.823 0.101 0.000 0.671 269 V HN 0.552 nan 8.190 nan 0.000 0.455 270 A N 0.201 123.159 122.820 0.231 0.000 1.883 270 A HA -0.182 4.138 4.320 0.001 0.000 0.217 270 A C 2.373 180.146 177.584 0.316 0.000 1.186 270 A CA 2.256 54.455 52.037 0.271 0.000 0.624 270 A CB -0.759 18.424 19.000 0.304 0.000 0.822 270 A HN 0.342 nan 8.150 nan 0.000 0.444 271 V N -2.679 117.444 119.914 0.348 0.000 2.407 271 V HA -0.237 3.884 4.120 0.001 0.000 0.248 271 V C 2.116 178.470 176.094 0.433 0.000 1.055 271 V CA 1.706 64.190 62.300 0.307 0.000 1.049 271 V CB -0.895 31.062 31.823 0.224 0.000 0.662 271 V HN 0.846 nan 8.190 nan 0.000 0.455 272 W N -0.176 121.329 121.300 0.342 0.000 2.937 272 W HA 0.094 4.754 4.660 0.001 0.000 0.245 272 W C 1.697 178.326 176.519 0.182 0.000 1.306 272 W CA 0.870 58.414 57.345 0.331 0.000 1.470 272 W CB 0.105 29.623 29.460 0.098 0.000 1.132 272 W HN 0.177 nan 8.180 nan 0.000 0.675 273 L N -0.896 120.461 121.223 0.224 0.000 2.537 273 L HA 0.091 4.432 4.340 0.001 0.000 0.224 273 L C 1.992 178.894 176.870 0.053 0.000 1.065 273 L CA 0.146 55.032 54.840 0.077 0.000 0.860 273 L CB -0.306 41.847 42.059 0.157 0.000 1.086 273 L HN -0.145 nan 8.230 nan 0.000 0.482 274 I N 0.230 120.865 120.570 0.107 0.000 2.394 274 I HA -0.171 3.999 4.170 0.001 0.000 0.251 274 I C 0.548 176.696 176.117 0.053 0.000 1.136 274 I CA 0.856 62.200 61.300 0.074 0.000 1.425 274 I CB -0.131 37.910 38.000 0.067 0.000 1.079 274 I HN 0.271 nan 8.210 nan 0.000 0.425 275 N N 1.894 120.644 118.700 0.084 0.000 3.245 275 N HA 0.209 4.950 4.740 0.001 0.000 0.296 275 N C 1.001 176.530 175.510 0.031 0.000 1.254 275 N CA 0.182 53.295 53.050 0.106 0.000 1.190 275 N CB 0.573 39.229 38.487 0.283 0.000 1.460 275 N HN 0.365 nan 8.380 nan 0.000 0.538 276 I N -0.654 119.911 120.570 -0.008 0.000 2.193 276 I HA -0.063 4.108 4.170 0.001 0.000 0.240 276 I C 1.720 177.835 176.117 -0.003 0.000 1.084 276 I CA 0.798 62.072 61.300 -0.042 0.000 1.365 276 I CB -0.137 37.846 38.000 -0.028 0.000 1.064 276 I HN 0.275 nan 8.210 nan 0.000 0.410 277 G N -0.019 108.785 108.800 0.006 0.000 3.343 277 G HA2 0.019 3.979 3.960 0.001 0.000 0.264 277 G HA3 0.019 3.979 3.960 0.001 0.000 0.264 277 G C 0.576 175.476 174.900 -0.000 0.000 0.884 277 G CA -0.057 45.045 45.100 0.003 0.000 1.916 277 G HN 0.302 nan 8.290 nan 0.000 0.618 278 H N 1.359 120.423 119.070 -0.010 0.000 2.426 278 H HA 0.192 4.749 4.556 0.001 0.000 0.286 278 H C 0.381 175.679 175.328 -0.049 0.000 0.990 278 H CA 0.349 56.391 56.048 -0.010 0.000 1.237 278 H CB 0.611 30.434 29.762 0.103 0.000 1.466 278 H HN 0.383 nan 8.280 nan 0.000 0.525 279 F N 1.308 121.282 119.950 0.039 0.000 2.750 279 F HA 0.291 4.818 4.527 0.001 0.000 0.297 279 F C 1.351 177.158 175.800 0.013 0.000 1.138 279 F CA -0.090 57.895 58.000 -0.025 0.000 1.346 279 F CB -0.030 38.845 39.000 -0.209 0.000 0.965 279 F HN 0.146 nan 8.300 nan 0.000 0.514 280 N N -0.263 118.507 118.700 0.115 0.000 2.409 280 N HA -0.034 4.706 4.740 0.001 0.000 0.174 280 N C -0.030 175.504 175.510 0.040 0.000 1.037 280 N CA 0.271 53.368 53.050 0.078 0.000 0.898 280 N CB 0.193 38.705 38.487 0.043 0.000 1.010 280 N HN 0.233 nan 8.380 nan 0.000 0.445 281 D N 1.296 121.693 120.400 -0.006 0.000 2.181 281 D HA 0.204 4.845 4.640 0.001 0.000 0.248 281 D C -2.718 173.561 176.300 -0.035 0.000 1.020 281 D CA -1.955 52.028 54.000 -0.027 0.000 0.891 281 D CB 0.873 41.636 40.800 -0.062 0.000 1.187 281 D HN -0.180 nan 8.370 nan 0.000 0.443 282 P HA 0.006 nan 4.420 nan 0.000 0.248 282 P C -0.429 176.852 177.300 -0.032 0.000 1.254 282 P CA -0.011 63.086 63.100 -0.005 0.000 1.252 282 P CB 0.121 31.828 31.700 0.011 0.000 1.465 283 V N 3.299 123.166 119.914 -0.078 0.000 2.435 283 V HA 0.214 4.335 4.120 0.001 0.000 0.290 283 V C 0.768 176.827 176.094 -0.058 0.000 1.030 283 V CA -0.144 62.087 62.300 -0.115 0.000 0.881 283 V CB 1.384 33.044 31.823 -0.271 0.000 0.983 283 V HN 0.494 nan 8.190 nan 0.000 0.445 284 H N 4.339 123.361 119.070 -0.081 0.000 2.855 284 H HA 0.276 4.833 4.556 0.001 0.000 0.259 284 H C 1.701 177.009 175.328 -0.032 0.000 0.972 284 H CA 1.181 57.209 56.048 -0.033 0.000 1.213 284 H CB 0.832 30.584 29.762 -0.016 0.000 1.451 284 H HN 0.763 nan 8.280 nan 0.000 0.484 285 G N -0.124 108.739 108.800 0.105 0.000 2.448 285 G HA2 -0.086 3.875 3.960 0.001 0.000 0.218 285 G HA3 -0.086 3.875 3.960 0.001 0.000 0.218 285 G C 1.089 176.001 174.900 0.021 0.000 1.135 285 G CA 0.561 45.699 45.100 0.064 0.000 0.784 285 G HN 0.404 nan 8.290 nan 0.000 0.543 286 G N 0.681 109.438 108.800 -0.073 0.000 3.286 286 G HA2 0.389 4.350 3.960 0.001 0.000 0.303 286 G HA3 0.389 4.350 3.960 0.001 0.000 0.303 286 G C 0.031 174.937 174.900 0.011 0.000 0.974 286 G CA -0.015 45.030 45.100 -0.092 0.000 1.635 286 G HN 0.253 nan 8.290 nan 0.000 0.535 287 S N 1.210 116.980 115.700 0.117 0.000 2.549 287 S HA -0.001 4.470 4.470 0.001 0.000 0.286 287 S C 1.042 175.842 174.600 0.333 0.000 1.314 287 S CA -0.578 57.736 58.200 0.190 0.000 1.062 287 S CB 0.293 63.581 63.200 0.146 0.000 0.865 287 S HN 0.585 nan 8.310 nan 0.000 0.498 288 W N 5.385 126.824 121.300 0.233 0.000 2.595 288 W HA -0.025 4.635 4.660 0.001 0.000 0.257 288 W C 0.987 177.549 176.519 0.072 0.000 1.267 288 W CA 0.410 57.858 57.345 0.172 0.000 1.300 288 W CB -0.156 29.371 29.460 0.112 0.000 1.120 288 W HN 0.686 nan 8.180 nan 0.000 0.618 289 I N -0.152 120.607 120.570 0.315 0.000 2.494 289 I HA -0.035 4.135 4.170 0.001 0.000 0.250 289 I C 0.344 176.545 176.117 0.141 0.000 1.112 289 I CA 0.933 62.351 61.300 0.196 0.000 1.438 289 I CB -1.036 37.050 38.000 0.144 0.000 1.111 289 I HN -0.287 nan 8.210 nan 0.000 0.431 290 R N 0.353 120.941 120.500 0.146 0.000 2.547 290 R HA 0.536 4.876 4.340 0.001 0.000 0.280 290 R C 0.379 176.757 176.300 0.131 0.000 1.630 290 R CA 0.044 56.215 56.100 0.119 0.000 1.470 290 R CB 0.837 31.220 30.300 0.138 0.000 1.178 290 R HN 0.229 nan 8.270 nan 0.000 0.591 291 G N -0.735 108.140 108.800 0.125 0.000 3.193 291 G HA2 0.088 4.048 3.960 0.001 0.000 0.183 291 G HA3 0.088 4.048 3.960 0.001 0.000 0.183 291 G C 0.697 175.715 174.900 0.197 0.000 1.254 291 G CA 0.308 45.509 45.100 0.168 0.000 0.898 291 G HN 0.417 nan 8.290 nan 0.000 0.816 292 A N 0.755 123.655 122.820 0.134 0.000 2.252 292 A HA 0.353 4.674 4.320 0.001 0.000 0.207 292 A C 1.833 179.590 177.584 0.289 0.000 1.194 292 A CA 0.428 52.604 52.037 0.232 0.000 0.809 292 A CB -0.416 18.642 19.000 0.098 0.000 0.814 292 A HN 0.487 nan 8.150 nan 0.000 0.482 293 I N -1.466 119.211 120.570 0.178 0.000 2.700 293 I HA -0.218 3.952 4.170 0.001 0.000 0.261 293 I C 1.967 178.257 176.117 0.289 0.000 1.219 293 I CA 1.201 62.603 61.300 0.170 0.000 1.463 293 I CB -0.120 37.957 38.000 0.128 0.000 1.092 293 I HN 0.581 nan 8.210 nan 0.000 0.452 294 Y N 0.610 121.035 120.300 0.208 0.000 2.263 294 Y HA -0.227 4.323 4.550 0.001 0.000 0.292 294 Y C 1.684 177.630 175.900 0.077 0.000 1.130 294 Y CA 1.617 59.785 58.100 0.113 0.000 1.179 294 Y CB -0.539 37.953 38.460 0.053 0.000 0.998 294 Y HN 0.200 nan 8.280 nan 0.000 0.532 295 Y N -1.742 118.616 120.300 0.097 0.000 2.269 295 Y HA -0.072 4.478 4.550 0.001 0.000 0.294 295 Y C 1.858 177.778 175.900 0.034 0.000 1.120 295 Y CA 1.198 59.294 58.100 -0.007 0.000 1.159 295 Y CB -0.843 37.693 38.460 0.127 0.000 1.024 295 Y HN -0.007 nan 8.280 nan 0.000 0.532 296 F N 0.663 120.679 119.950 0.110 0.000 2.722 296 F HA -0.046 4.481 4.527 0.001 0.000 0.298 296 F C 2.102 177.907 175.800 0.008 0.000 1.175 296 F CA 0.752 58.778 58.000 0.043 0.000 1.462 296 F CB -0.366 38.654 39.000 0.033 0.000 1.111 296 F HN 0.036 nan 8.300 nan 0.000 0.592 297 K N 0.549 121.030 120.400 0.134 0.000 2.190 297 K HA 0.044 4.364 4.320 0.001 0.000 0.202 297 K C 1.950 178.535 176.600 -0.024 0.000 1.045 297 K CA 0.769 57.088 56.287 0.053 0.000 0.976 297 K CB -0.030 32.502 32.500 0.052 0.000 0.849 297 K HN 0.208 nan 8.250 nan 0.000 0.468 298 I N 1.569 122.067 120.570 -0.121 0.000 2.500 298 I HA -0.114 4.056 4.170 0.001 0.000 0.252 298 I C 2.476 178.549 176.117 -0.073 0.000 1.142 298 I CA 0.801 62.023 61.300 -0.131 0.000 1.451 298 I CB -0.256 37.585 38.000 -0.266 0.000 1.093 298 I HN 0.209 nan 8.210 nan 0.000 0.430 299 A N 0.755 123.529 122.820 -0.077 0.000 1.940 299 A HA -0.150 4.170 4.320 0.001 0.000 0.219 299 A C 2.429 179.977 177.584 -0.059 0.000 1.176 299 A CA 1.810 53.795 52.037 -0.086 0.000 0.631 299 A CB -0.830 18.064 19.000 -0.177 0.000 0.814 299 A HN 0.250 nan 8.150 nan 0.000 0.446 300 V N -0.434 119.460 119.914 -0.032 0.000 2.283 300 V HA -0.159 3.962 4.120 0.001 0.000 0.243 300 V C 3.045 179.140 176.094 0.002 0.000 1.039 300 V CA 1.745 64.042 62.300 -0.005 0.000 1.016 300 V CB -1.276 30.560 31.823 0.022 0.000 0.650 300 V HN 0.591 nan 8.190 nan 0.000 0.449 301 A N -0.372 122.449 122.820 0.002 0.000 1.978 301 A HA -0.177 4.143 4.320 0.001 0.000 0.220 301 A C 2.242 179.832 177.584 0.009 0.000 1.170 301 A CA 1.798 53.841 52.037 0.011 0.000 0.636 301 A CB -0.547 18.459 19.000 0.010 0.000 0.810 301 A HN 0.501 nan 8.150 nan 0.000 0.448 302 L N -1.118 120.103 121.223 -0.003 0.000 2.027 302 L HA -0.170 4.171 4.340 0.001 0.000 0.206 302 L C 3.152 180.015 176.870 -0.011 0.000 1.074 302 L CA 1.047 55.885 54.840 -0.003 0.000 0.745 302 L CB -0.551 41.502 42.059 -0.010 0.000 0.898 302 L HN 0.448 nan 8.230 nan 0.000 0.433 303 A N -0.290 122.519 122.820 -0.017 0.000 1.858 303 A HA -0.177 4.143 4.320 0.001 0.000 0.216 303 A C 2.232 179.816 177.584 0.001 0.000 1.190 303 A CA 1.932 53.958 52.037 -0.017 0.000 0.617 303 A CB -0.971 18.018 19.000 -0.019 0.000 0.827 303 A HN 0.208 nan 8.150 nan 0.000 0.443 304 V N -0.207 119.715 119.914 0.014 0.000 2.568 304 V HA -0.230 3.890 4.120 0.001 0.000 0.253 304 V C 2.860 178.971 176.094 0.027 0.000 1.072 304 V CA 1.856 64.174 62.300 0.029 0.000 1.084 304 V CB -1.167 30.680 31.823 0.040 0.000 0.676 304 V HN 0.633 nan 8.190 nan 0.000 0.469 305 A N -0.354 122.477 122.820 0.018 0.000 1.935 305 A HA 0.191 4.512 4.320 0.001 0.000 0.214 305 A C 2.353 179.941 177.584 0.007 0.000 1.178 305 A CA 1.436 53.482 52.037 0.015 0.000 0.640 305 A CB -0.430 18.579 19.000 0.015 0.000 0.825 305 A HN 0.511 nan 8.150 nan 0.000 0.447 306 A N -0.254 122.566 122.820 -0.001 0.000 1.898 306 A HA 0.244 4.564 4.320 0.001 0.000 0.214 306 A C 0.875 178.480 177.584 0.035 0.000 1.183 306 A CA 0.422 52.456 52.037 -0.006 0.000 0.622 306 A CB -0.270 18.701 19.000 -0.050 0.000 0.824 306 A HN 0.327 nan 8.150 nan 0.000 0.444 307 I N 1.623 122.212 120.570 0.032 0.000 2.517 307 I HA 0.135 4.305 4.170 0.001 0.000 0.285 307 I C -2.295 173.866 176.117 0.074 0.000 1.106 307 I CA -2.358 58.984 61.300 0.070 0.000 1.402 307 I CB 0.223 38.252 38.000 0.047 0.000 1.399 307 I HN 0.123 nan 8.210 nan 0.000 0.535 308 P HA 0.186 nan 4.420 nan 0.000 0.231 308 P C 0.320 177.640 177.300 0.033 0.000 1.811 308 P CA -0.295 62.831 63.100 0.043 0.000 1.051 308 P CB 0.402 32.119 31.700 0.028 0.000 1.951 309 E N 1.653 121.872 120.200 0.031 0.000 2.197 309 E HA -0.203 4.148 4.350 0.001 0.000 0.205 309 E C 2.166 178.770 176.600 0.006 0.000 1.029 309 E CA 2.275 58.692 56.400 0.027 0.000 0.828 309 E CB -0.838 28.882 29.700 0.033 0.000 0.737 309 E HN 0.505 nan 8.360 nan 0.000 0.464 310 G N -0.465 108.325 108.800 -0.016 0.000 2.939 310 G HA2 -0.052 3.909 3.960 0.001 0.000 0.210 310 G HA3 -0.052 3.909 3.960 0.001 0.000 0.210 310 G C 1.282 176.149 174.900 -0.054 0.000 1.160 310 G CA -0.012 45.062 45.100 -0.043 0.000 0.770 310 G HN 0.141 nan 8.290 nan 0.000 0.543 311 L N 2.293 123.500 121.223 -0.028 0.000 1.989 311 L HA -0.001 4.339 4.340 0.001 0.000 0.211 311 L C 0.210 177.070 176.870 -0.017 0.000 1.071 311 L CA 2.148 56.978 54.840 -0.015 0.000 0.749 311 L CB -0.962 41.104 42.059 0.012 0.000 0.890 311 L HN 0.087 nan 8.230 nan 0.000 0.431 312 P HA -0.154 nan 4.420 nan 0.000 0.223 312 P C 1.087 178.366 177.300 -0.035 0.000 1.144 312 P CA 1.877 64.973 63.100 -0.006 0.000 0.783 312 P CB -0.106 31.595 31.700 0.001 0.000 0.771 313 A N -0.236 122.548 122.820 -0.061 0.000 1.943 313 A HA 0.020 4.340 4.320 0.001 0.000 0.213 313 A C 2.333 179.837 177.584 -0.133 0.000 1.181 313 A CA 0.841 52.828 52.037 -0.084 0.000 0.653 313 A CB -1.306 17.646 19.000 -0.080 0.000 0.833 313 A HN 0.114 nan 8.150 nan 0.000 0.451 314 V N 0.164 119.958 119.914 -0.200 0.000 2.548 314 V HA -0.136 3.985 4.120 0.001 0.000 0.249 314 V C 2.131 178.001 176.094 -0.374 0.000 1.055 314 V CA 1.671 63.745 62.300 -0.376 0.000 1.065 314 V CB -0.394 31.061 31.823 -0.613 0.000 0.681 314 V HN 0.550 nan 8.190 nan 0.000 0.462 315 I N -0.081 120.397 120.570 -0.154 0.000 2.163 315 I HA -0.209 3.962 4.170 0.001 0.000 0.240 315 I C 2.503 178.621 176.117 0.001 0.000 1.081 315 I CA 2.110 63.443 61.300 0.055 0.000 1.353 315 I CB -0.722 37.346 38.000 0.113 0.000 1.054 315 I HN 0.288 nan 8.210 nan 0.000 0.407 316 T N -0.053 114.481 114.554 -0.033 0.000 2.788 316 T HA -0.165 4.186 4.350 0.001 0.000 0.268 316 T C 1.860 176.524 174.700 -0.061 0.000 1.044 316 T CA 1.948 64.027 62.100 -0.036 0.000 1.139 316 T CB -0.345 68.499 68.868 -0.039 0.000 0.867 316 T HN 0.356 nan 8.240 nan 0.000 0.454 317 T N 0.774 115.270 114.554 -0.097 0.000 2.821 317 T HA -0.120 4.230 4.350 0.001 0.000 0.267 317 T C 2.270 176.892 174.700 -0.129 0.000 1.046 317 T CA 1.111 63.144 62.100 -0.111 0.000 1.139 317 T CB -0.679 68.109 68.868 -0.132 0.000 0.871 317 T HN 0.524 nan 8.240 nan 0.000 0.454 318 C N 0.962 120.179 119.300 -0.139 0.000 2.446 318 C HA 0.053 4.513 4.460 0.001 0.000 0.277 318 C C 2.475 177.406 174.990 -0.098 0.000 1.275 318 C CA 0.318 59.254 59.018 -0.136 0.000 1.727 318 C CB -1.395 26.348 27.740 0.005 0.000 2.010 318 C HN 0.366 nan 8.230 nan 0.000 0.486 319 L N 1.693 122.890 121.223 -0.043 0.000 2.093 319 L HA 0.042 4.382 4.340 0.001 0.000 0.208 319 L C 2.862 179.705 176.870 -0.046 0.000 1.085 319 L CA 2.170 56.992 54.840 -0.030 0.000 0.755 319 L CB -1.198 40.859 42.059 -0.003 0.000 0.904 319 L HN 0.422 nan 8.230 nan 0.000 0.435 320 A N -0.832 121.957 122.820 -0.052 0.000 1.902 320 A HA -0.153 4.168 4.320 0.001 0.000 0.217 320 A C 2.308 179.856 177.584 -0.060 0.000 1.181 320 A CA 1.497 53.506 52.037 -0.046 0.000 0.623 320 A CB -0.702 18.270 19.000 -0.046 0.000 0.818 320 A HN 0.375 nan 8.150 nan 0.000 0.443 321 L N -0.828 120.336 121.223 -0.099 0.000 2.056 321 L HA -0.113 4.227 4.340 0.001 0.000 0.207 321 L C 2.831 179.632 176.870 -0.116 0.000 1.078 321 L CA 1.080 55.846 54.840 -0.124 0.000 0.749 321 L CB -0.797 41.117 42.059 -0.242 0.000 0.901 321 L HN 0.499 nan 8.230 nan 0.000 0.433 322 G N -0.892 107.836 108.800 -0.120 0.000 2.418 322 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 322 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 322 G C 1.574 176.442 174.900 -0.054 0.000 1.158 322 G CA 1.190 46.236 45.100 -0.091 0.000 0.771 322 G HN 0.252 nan 8.290 nan 0.000 0.545 323 T N 0.514 115.042 114.554 -0.043 0.000 2.720 323 T HA -0.107 4.244 4.350 0.001 0.000 0.268 323 T C 2.471 177.159 174.700 -0.020 0.000 1.037 323 T CA 1.166 63.251 62.100 -0.026 0.000 1.144 323 T CB -0.145 68.713 68.868 -0.017 0.000 0.864 323 T HN 0.238 nan 8.240 nan 0.000 0.444 324 R N 0.324 120.812 120.500 -0.021 0.000 2.115 324 R HA 0.079 4.420 4.340 0.001 0.000 0.230 324 R C 2.724 179.019 176.300 -0.008 0.000 1.111 324 R CA 0.842 56.937 56.100 -0.010 0.000 0.976 324 R CB -0.151 30.146 30.300 -0.005 0.000 0.870 324 R HN 0.283 nan 8.270 nan 0.000 0.445 325 R N 0.234 120.723 120.500 -0.018 0.000 2.081 325 R HA -0.045 4.295 4.340 0.001 0.000 0.235 325 R C 2.210 178.503 176.300 -0.011 0.000 1.131 325 R CA 1.505 57.598 56.100 -0.013 0.000 0.960 325 R CB -0.033 30.250 30.300 -0.028 0.000 0.856 325 R HN 0.161 nan 8.270 nan 0.000 0.436 326 M N -0.778 118.811 119.600 -0.018 0.000 2.200 326 M HA -0.059 4.422 4.480 0.001 0.000 0.265 326 M C 2.309 178.601 176.300 -0.013 0.000 1.066 326 M CA 1.420 56.709 55.300 -0.018 0.000 1.127 326 M CB -0.016 32.569 32.600 -0.024 0.000 1.379 326 M HN 0.213 nan 8.290 nan 0.000 0.420 327 A N 0.327 123.142 122.820 -0.009 0.000 2.024 327 A HA -0.211 4.110 4.320 0.001 0.000 0.220 327 A C 2.111 179.694 177.584 -0.000 0.000 1.164 327 A CA 1.784 53.818 52.037 -0.004 0.000 0.643 327 A CB -0.674 18.326 19.000 -0.001 0.000 0.806 327 A HN 0.470 nan 8.150 nan 0.000 0.451 328 K N -0.012 120.389 120.400 0.002 0.000 2.211 328 K HA -0.078 4.242 4.320 0.001 0.000 0.203 328 K C 0.933 177.536 176.600 0.005 0.000 1.050 328 K CA 1.245 57.536 56.287 0.007 0.000 0.945 328 K CB -0.085 32.422 32.500 0.011 0.000 0.732 328 K HN 0.399 nan 8.250 nan 0.000 0.451 329 K N 0.845 121.244 120.400 -0.001 0.000 2.500 329 K HA 0.104 4.424 4.320 0.001 0.000 0.206 329 K C -0.424 176.172 176.600 -0.007 0.000 1.034 329 K CA -0.070 56.215 56.287 -0.003 0.000 1.179 329 K CB 0.317 32.812 32.500 -0.008 0.000 0.884 329 K HN 0.193 nan 8.250 nan 0.000 0.493 330 N N 0.248 118.945 118.700 -0.004 0.000 2.741 330 N HA -0.172 4.568 4.740 0.001 0.000 0.250 330 N C -0.777 174.725 175.510 -0.014 0.000 1.115 330 N CA 1.009 54.055 53.050 -0.006 0.000 0.724 330 N CB -1.203 37.282 38.487 -0.002 0.000 1.090 330 N HN 0.323 nan 8.380 nan 0.000 0.558 331 A N 0.797 123.607 122.820 -0.018 0.000 2.399 331 A HA 0.611 4.932 4.320 0.001 0.000 0.327 331 A C 0.466 178.038 177.584 -0.020 0.000 1.367 331 A CA -0.507 51.514 52.037 -0.026 0.000 0.842 331 A CB 0.408 19.387 19.000 -0.035 0.000 1.142 331 A HN 0.268 nan 8.150 nan 0.000 0.495 332 I N 3.056 123.615 120.570 -0.018 0.000 2.379 332 I HA 0.170 4.340 4.170 0.001 0.000 0.290 332 I C -0.336 175.772 176.117 -0.016 0.000 1.063 332 I CA -0.292 61.001 61.300 -0.012 0.000 1.351 332 I CB 1.268 39.263 38.000 -0.009 0.000 1.410 332 I HN 0.248 nan 8.210 nan 0.000 0.505 333 V N 7.961 127.867 119.914 -0.013 0.000 2.407 333 V HA 0.283 4.403 4.120 0.001 0.000 0.278 333 V C 1.042 177.132 176.094 -0.007 0.000 1.037 333 V CA -0.399 61.893 62.300 -0.014 0.000 0.900 333 V CB 1.361 33.175 31.823 -0.015 0.000 0.983 333 V HN 0.740 nan 8.190 nan 0.000 0.459 334 R N 1.937 122.431 120.500 -0.010 0.000 2.265 334 R HA 0.191 4.531 4.340 0.001 0.000 0.194 334 R C 0.669 176.967 176.300 -0.004 0.000 0.931 334 R CA 0.186 56.282 56.100 -0.007 0.000 1.032 334 R CB 0.544 30.837 30.300 -0.013 0.000 0.980 334 R HN 0.546 nan 8.270 nan 0.000 0.497 335 S N 0.919 116.615 115.700 -0.007 0.000 2.640 335 S HA 0.227 4.697 4.470 0.001 0.000 0.320 335 S C 0.974 175.572 174.600 -0.002 0.000 1.097 335 S CA -0.612 57.585 58.200 -0.004 0.000 1.092 335 S CB 0.769 63.963 63.200 -0.010 0.000 0.988 335 S HN 0.049 nan 8.310 nan 0.000 0.470 336 L N 5.724 126.950 121.223 0.006 0.000 2.012 336 L HA 0.033 4.373 4.340 0.001 0.000 0.210 336 L C -0.641 176.232 176.870 0.005 0.000 1.073 336 L CA 1.891 56.734 54.840 0.005 0.000 0.748 336 L CB -2.084 39.982 42.059 0.012 0.000 0.891 336 L HN 0.571 nan 8.230 nan 0.000 0.431 337 P HA 0.006 nan 4.420 nan 0.000 0.252 337 P C 1.110 178.409 177.300 -0.001 0.000 1.265 337 P CA 0.578 63.683 63.100 0.009 0.000 0.775 337 P CB 0.226 31.932 31.700 0.010 0.000 1.128 338 S N -0.253 115.442 115.700 -0.008 0.000 2.456 338 S HA -0.040 4.431 4.470 0.001 0.000 0.224 338 S C 2.000 176.586 174.600 -0.023 0.000 1.035 338 S CA 0.747 58.936 58.200 -0.019 0.000 0.940 338 S CB -0.865 62.322 63.200 -0.022 0.000 0.799 338 S HN 0.151 nan 8.310 nan 0.000 0.508 339 V N 2.737 122.642 119.914 -0.016 0.000 2.324 339 V HA -0.296 3.824 4.120 0.001 0.000 0.250 339 V C 2.202 178.288 176.094 -0.014 0.000 1.060 339 V CA 2.216 64.506 62.300 -0.017 0.000 1.042 339 V CB -1.316 30.500 31.823 -0.013 0.000 0.650 339 V HN 0.691 nan 8.190 nan 0.000 0.450 340 E N 0.980 121.181 120.200 0.002 0.000 2.028 340 E HA -0.189 4.161 4.350 0.001 0.000 0.191 340 E C 2.154 178.710 176.600 -0.072 0.000 0.988 340 E CA 1.838 58.243 56.400 0.009 0.000 0.799 340 E CB -1.180 28.560 29.700 0.067 0.000 0.755 340 E HN 0.564 nan 8.360 nan 0.000 0.447 341 T N 1.996 116.511 114.554 -0.065 0.000 2.759 341 T HA -0.137 4.214 4.350 0.001 0.000 0.269 341 T C 1.877 176.527 174.700 -0.083 0.000 1.042 341 T CA 1.088 63.137 62.100 -0.085 0.000 1.140 341 T CB -0.315 68.520 68.868 -0.056 0.000 0.864 341 T HN 0.123 nan 8.240 nan 0.000 0.455 342 L N 0.742 121.926 121.223 -0.065 0.000 2.127 342 L HA -0.086 4.255 4.340 0.001 0.000 0.211 342 L C 2.660 179.489 176.870 -0.069 0.000 1.089 342 L CA 1.403 56.205 54.840 -0.063 0.000 0.757 342 L CB -0.717 41.308 42.059 -0.057 0.000 0.899 342 L HN 0.417 nan 8.230 nan 0.000 0.434 343 G N -1.886 106.867 108.800 -0.078 0.000 2.598 343 G HA2 -0.182 3.778 3.960 0.001 0.000 0.215 343 G HA3 -0.182 3.778 3.960 0.001 0.000 0.215 343 G C 1.240 176.074 174.900 -0.109 0.000 1.131 343 G CA 0.614 45.665 45.100 -0.080 0.000 0.785 343 G HN 0.505 nan 8.290 nan 0.000 0.539 344 C N 0.868 120.088 119.300 -0.134 0.000 2.791 344 C HA 0.238 4.698 4.460 0.001 0.000 0.270 344 C C 1.264 176.204 174.990 -0.082 0.000 1.257 344 C CA -0.804 58.133 59.018 -0.136 0.000 1.699 344 C CB -0.973 26.662 27.740 -0.176 0.000 1.904 344 C HN 0.220 nan 8.230 nan 0.000 0.603 345 T N 2.192 116.706 114.554 -0.067 0.000 2.871 345 T HA 0.107 4.458 4.350 0.001 0.000 0.296 345 T C 1.213 175.894 174.700 -0.032 0.000 0.998 345 T CA 0.822 62.895 62.100 -0.045 0.000 1.162 345 T CB 0.626 69.468 68.868 -0.044 0.000 0.947 345 T HN 0.689 nan 8.240 nan 0.000 0.536 346 S N 1.750 117.437 115.700 -0.020 0.000 2.524 346 S HA 0.273 4.743 4.470 0.001 0.000 0.222 346 S C 0.328 174.926 174.600 -0.003 0.000 1.040 346 S CA -0.386 57.807 58.200 -0.012 0.000 0.915 346 S CB 0.438 63.633 63.200 -0.008 0.000 0.831 346 S HN 0.415 nan 8.310 nan 0.000 0.492 347 V N 2.384 122.299 119.914 0.001 0.000 2.569 347 V HA 0.518 4.638 4.120 0.001 0.000 0.301 347 V C -1.004 175.095 176.094 0.010 0.000 1.044 347 V CA -0.720 61.586 62.300 0.011 0.000 0.874 347 V CB 1.672 33.507 31.823 0.020 0.000 1.002 347 V HN 0.382 nan 8.190 nan 0.000 0.424 348 I N 3.806 124.387 120.570 0.019 0.000 2.330 348 I HA 0.351 4.521 4.170 0.001 0.000 0.286 348 I C -0.095 176.047 176.117 0.041 0.000 1.025 348 I CA -0.141 61.173 61.300 0.023 0.000 1.197 348 I CB 1.200 39.220 38.000 0.032 0.000 1.358 348 I HN 0.551 nan 8.210 nan 0.000 0.467 349 C N 4.189 123.506 119.300 0.028 0.000 2.463 349 C HA 0.536 4.996 4.460 0.001 0.000 0.380 349 C C 0.731 175.749 174.990 0.048 0.000 1.264 349 C CA -0.084 58.952 59.018 0.030 0.000 2.161 349 C CB 0.780 28.520 27.740 0.001 0.000 2.515 349 C HN 0.786 nan 8.230 nan 0.000 0.565 350 S N 1.117 116.851 115.700 0.056 0.000 2.546 350 S HA 0.359 4.830 4.470 0.001 0.000 0.272 350 S C -1.088 173.537 174.600 0.043 0.000 1.140 350 S CA -0.528 57.718 58.200 0.077 0.000 0.920 350 S CB 1.167 64.460 63.200 0.154 0.000 1.083 350 S HN 0.861 nan 8.310 nan 0.000 0.476 351 D N 2.428 122.853 120.400 0.041 0.000 2.368 351 D HA 0.269 4.910 4.640 0.001 0.000 0.240 351 D C 0.885 177.190 176.300 0.009 0.000 1.169 351 D CA 0.166 54.178 54.000 0.020 0.000 0.906 351 D CB 0.885 41.697 40.800 0.019 0.000 1.187 351 D HN 0.562 nan 8.370 nan 0.000 0.435 352 K N 0.262 120.657 120.400 -0.008 0.000 2.167 352 K HA 0.093 4.414 4.320 0.001 0.000 0.214 352 K C 0.039 176.622 176.600 -0.027 0.000 1.024 352 K CA -0.026 56.242 56.287 -0.032 0.000 0.951 352 K CB -0.250 32.229 32.500 -0.036 0.000 0.907 352 K HN 0.449 nan 8.250 nan 0.000 0.459 353 T N 1.097 115.640 114.554 -0.018 0.000 2.778 353 T HA 0.176 4.527 4.350 0.001 0.000 0.282 353 T C 0.728 175.426 174.700 -0.005 0.000 0.983 353 T CA 0.946 63.037 62.100 -0.014 0.000 1.193 353 T CB 0.276 69.140 68.868 -0.007 0.000 0.938 353 T HN 0.726 nan 8.240 nan 0.000 0.523 354 G N 3.332 112.127 108.800 -0.008 0.000 2.225 354 G HA2 -0.318 3.642 3.960 0.001 0.000 0.254 354 G HA3 -0.318 3.642 3.960 0.001 0.000 0.254 354 G C 0.887 175.798 174.900 0.018 0.000 0.988 354 G CA 0.626 45.728 45.100 0.004 0.000 0.625 354 G HN 0.699 nan 8.290 nan 0.000 0.527 355 T N -0.114 114.452 114.554 0.020 0.000 3.391 355 T HA 0.312 4.663 4.350 0.001 0.000 0.233 355 T C 2.000 176.720 174.700 0.034 0.000 0.960 355 T CA 1.009 63.148 62.100 0.064 0.000 1.342 355 T CB -0.184 68.732 68.868 0.080 0.000 1.124 355 T HN 0.053 nan 8.240 nan 0.000 0.396 356 L N 1.971 123.163 121.223 -0.052 0.000 2.156 356 L HA 0.187 4.527 4.340 0.001 0.000 0.208 356 L C 1.556 178.340 176.870 -0.143 0.000 1.095 356 L CA 1.261 55.984 54.840 -0.195 0.000 0.770 356 L CB -0.986 40.948 42.059 -0.209 0.000 0.914 356 L HN 0.502 nan 8.230 nan 0.000 0.439 357 T N -5.824 108.680 114.554 -0.084 0.000 2.919 357 T HA 0.320 4.670 4.350 0.001 0.000 0.282 357 T C 1.159 175.827 174.700 -0.053 0.000 1.020 357 T CA 0.128 62.184 62.100 -0.074 0.000 0.994 357 T CB 1.199 70.027 68.868 -0.066 0.000 1.180 357 T HN 0.154 nan 8.240 nan 0.000 0.566 358 T N -1.930 112.584 114.554 -0.066 0.000 3.081 358 T HA 0.107 4.457 4.350 0.001 0.000 0.255 358 T C 0.993 175.652 174.700 -0.069 0.000 1.113 358 T CA 0.655 62.714 62.100 -0.068 0.000 1.082 358 T CB -0.898 67.909 68.868 -0.102 0.000 0.939 358 T HN 0.956 nan 8.240 nan 0.000 0.506 359 N N 0.935 119.598 118.700 -0.062 0.000 2.758 359 N HA -0.193 4.547 4.740 0.001 0.000 0.248 359 N C -1.078 174.391 175.510 -0.068 0.000 1.076 359 N CA 0.255 53.284 53.050 -0.035 0.000 0.696 359 N CB -0.848 37.640 38.487 0.001 0.000 0.979 359 N HN 0.695 nan 8.380 nan 0.000 0.550 360 Q N 0.989 120.677 119.800 -0.187 0.000 2.533 360 Q HA 0.269 4.610 4.340 0.001 0.000 0.251 360 Q C -0.383 175.393 176.000 -0.374 0.000 0.966 360 Q CA -0.685 54.816 55.803 -0.505 0.000 0.714 360 Q CB 1.165 29.425 28.738 -0.797 0.000 1.284 360 Q HN 0.245 nan 8.270 nan 0.000 0.478 361 M N 1.752 121.295 119.600 -0.096 0.000 2.290 361 M HA 0.049 4.530 4.480 0.001 0.000 0.356 361 M C -0.384 175.909 176.300 -0.012 0.000 1.448 361 M CA 1.105 56.414 55.300 0.014 0.000 0.993 361 M CB -0.073 32.609 32.600 0.136 0.000 1.934 361 M HN 0.417 nan 8.290 nan 0.000 0.461 362 S N 2.922 118.599 115.700 -0.038 0.000 2.557 362 S HA 0.517 4.987 4.470 0.001 0.000 0.291 362 S C -0.483 174.102 174.600 -0.025 0.000 1.116 362 S CA -0.898 57.279 58.200 -0.039 0.000 0.992 362 S CB 1.980 65.130 63.200 -0.083 0.000 1.028 362 S HN 0.454 nan 8.310 nan 0.000 0.484 363 V N 2.873 122.779 119.914 -0.014 0.000 2.470 363 V HA 0.081 4.202 4.120 0.001 0.000 0.276 363 V C 1.190 177.257 176.094 -0.045 0.000 1.040 363 V CA -0.239 62.050 62.300 -0.019 0.000 1.008 363 V CB 0.260 32.077 31.823 -0.011 0.000 0.990 363 V HN 1.226 nan 8.190 nan 0.000 0.477 364 C N 2.792 122.048 119.300 -0.073 0.000 3.230 364 C HA 0.498 4.959 4.460 0.001 0.000 0.300 364 C C 0.553 175.459 174.990 -0.141 0.000 1.292 364 C CA -0.633 58.324 59.018 -0.101 0.000 1.707 364 C CB -0.970 26.698 27.740 -0.119 0.000 2.181 364 C HN 0.753 nan 8.230 nan 0.000 0.655 365 K N 1.398 121.698 120.400 -0.167 0.000 2.527 365 K HA 0.714 5.034 4.320 0.001 0.000 0.260 365 K C -1.005 175.633 176.600 0.064 0.000 0.937 365 K CA -0.292 55.854 56.287 -0.236 0.000 0.826 365 K CB 2.309 34.264 32.500 -0.909 0.000 1.359 365 K HN 0.550 nan 8.250 nan 0.000 0.434 366 M N 0.600 120.400 119.600 0.332 0.000 2.682 366 M HA 0.690 5.171 4.480 0.001 0.000 0.272 366 M C -1.742 174.950 176.300 0.654 0.000 1.232 366 M CA -0.956 54.608 55.300 0.440 0.000 0.849 366 M CB 2.165 34.861 32.600 0.159 0.000 1.695 366 M HN 0.634 nan 8.290 nan 0.000 0.481 367 F N 0.872 121.028 119.950 0.344 0.000 2.693 367 F HA 0.894 5.421 4.527 0.001 0.000 0.309 367 F C -1.843 174.055 175.800 0.164 0.000 1.129 367 F CA -1.059 57.096 58.000 0.258 0.000 0.948 367 F CB 1.337 40.410 39.000 0.123 0.000 1.315 367 F HN 0.863 nan 8.300 nan 0.000 0.447 368 I N 0.057 120.956 120.570 0.548 0.000 3.264 368 I HA 0.608 4.778 4.170 0.001 0.000 0.315 368 I C -1.112 175.251 176.117 0.410 0.000 1.154 368 I CA -1.445 60.080 61.300 0.375 0.000 0.962 368 I CB 2.027 40.150 38.000 0.205 0.000 1.265 368 I HN 0.497 nan 8.210 nan 0.000 0.463 369 I N 2.273 123.036 120.570 0.321 0.000 2.634 369 I HA 0.100 4.271 4.170 0.001 0.000 0.284 369 I C 0.523 176.728 176.117 0.146 0.000 1.124 369 I CA 0.554 61.979 61.300 0.209 0.000 1.417 369 I CB 0.600 38.717 38.000 0.195 0.000 1.396 369 I HN 0.811 nan 8.210 nan 0.000 0.571 370 D N 4.883 125.327 120.400 0.072 0.000 2.735 370 D HA 0.121 4.761 4.640 0.001 0.000 0.267 370 D C 0.028 176.377 176.300 0.081 0.000 1.081 370 D CA 1.206 55.258 54.000 0.087 0.000 0.980 370 D CB 0.718 41.547 40.800 0.047 0.000 1.129 370 D HN 0.510 nan 8.370 nan 0.000 0.459 371 K N -0.552 119.862 120.400 0.025 0.000 2.508 371 K HA 0.641 4.961 4.320 0.001 0.000 0.260 371 K C -1.535 175.052 176.600 -0.021 0.000 0.949 371 K CA -0.936 55.386 56.287 0.058 0.000 0.834 371 K CB 3.535 36.143 32.500 0.180 0.000 1.365 371 K HN -0.215 nan 8.250 nan 0.000 0.437 372 V N 1.313 121.256 119.914 0.048 0.000 2.569 372 V HA 0.351 4.472 4.120 0.001 0.000 0.301 372 V C -1.388 174.769 176.094 0.104 0.000 1.044 372 V CA -0.612 61.705 62.300 0.028 0.000 0.874 372 V CB 1.792 33.632 31.823 0.028 0.000 1.002 372 V HN 0.804 nan 8.190 nan 0.000 0.424 373 D N 3.353 123.840 120.400 0.146 0.000 2.337 373 D HA 0.482 5.123 4.640 0.001 0.000 0.238 373 D C 0.665 177.048 176.300 0.138 0.000 1.331 373 D CA 0.908 55.005 54.000 0.162 0.000 0.967 373 D CB 1.492 42.431 40.800 0.231 0.000 1.382 373 D HN 0.823 nan 8.370 nan 0.000 0.549 374 G N 4.343 113.191 108.800 0.081 0.000 2.634 374 G HA2 -0.396 3.564 3.960 0.001 0.000 0.318 374 G HA3 -0.396 3.564 3.960 0.001 0.000 0.318 374 G C 0.862 175.797 174.900 0.058 0.000 1.207 374 G CA 0.732 45.868 45.100 0.060 0.000 0.987 374 G HN 0.499 nan 8.290 nan 0.000 0.547 375 D N 0.339 120.782 120.400 0.072 0.000 2.317 375 D HA 0.184 4.825 4.640 0.001 0.000 0.211 375 D C 0.947 177.309 176.300 0.103 0.000 0.966 375 D CA 0.472 54.510 54.000 0.063 0.000 0.876 375 D CB -0.012 40.821 40.800 0.056 0.000 0.927 375 D HN 0.189 nan 8.370 nan 0.000 0.519 376 F N 1.210 121.149 119.950 -0.019 0.000 2.410 376 F HA 0.322 4.850 4.527 0.001 0.000 0.348 376 F C -0.494 175.294 175.800 -0.022 0.000 1.106 376 F CA -1.251 56.736 58.000 -0.022 0.000 1.163 376 F CB 0.882 39.873 39.000 -0.016 0.000 1.129 376 F HN -0.170 nan 8.300 nan 0.000 0.516 377 C N 7.064 125.862 119.300 -0.838 0.000 2.620 377 C HA 0.699 5.160 4.460 0.001 0.000 0.356 377 C C -0.781 173.701 174.990 -0.847 0.000 1.082 377 C CA -0.153 58.454 59.018 -0.686 0.000 1.293 377 C CB -0.380 27.163 27.740 -0.329 0.000 1.836 377 C HN 1.017 nan 8.230 nan 0.000 0.453 378 S N 6.045 121.265 115.700 -0.799 0.000 2.638 378 S HA 0.909 5.380 4.470 0.001 0.000 0.298 378 S C -0.876 173.570 174.600 -0.257 0.000 1.111 378 S CA -0.669 57.238 58.200 -0.489 0.000 1.027 378 S CB 1.287 64.315 63.200 -0.286 0.000 1.064 378 S HN 0.810 nan 8.310 nan 0.000 0.525 379 L N 1.267 122.358 121.223 -0.221 0.000 2.323 379 L HA 0.573 4.913 4.340 0.001 0.000 0.265 379 L C -0.576 176.221 176.870 -0.122 0.000 1.012 379 L CA -1.070 53.664 54.840 -0.177 0.000 0.820 379 L CB 1.619 43.429 42.059 -0.416 0.000 1.334 379 L HN 0.589 nan 8.230 nan 0.000 0.427 380 N N 1.667 120.338 118.700 -0.049 0.000 2.546 380 N HA 0.271 5.012 4.740 0.001 0.000 0.238 380 N C -1.071 174.256 175.510 -0.305 0.000 0.984 380 N CA -0.311 52.608 53.050 -0.218 0.000 0.935 380 N CB 1.084 39.496 38.487 -0.124 0.000 1.122 380 N HN 0.572 nan 8.380 nan 0.000 0.510 381 E N 1.542 121.511 120.200 -0.386 0.000 2.231 381 E HA 0.473 4.823 4.350 0.001 0.000 0.277 381 E C -0.683 175.617 176.600 -0.499 0.000 0.999 381 E CA -0.388 55.936 56.400 -0.127 0.000 0.827 381 E CB 1.326 31.094 29.700 0.113 0.000 1.101 381 E HN 0.285 nan 8.360 nan 0.000 0.393 382 F N 0.239 120.246 119.950 0.095 0.000 2.603 382 F HA 0.389 4.917 4.527 0.001 0.000 0.317 382 F C 0.232 176.025 175.800 -0.012 0.000 1.066 382 F CA -0.953 57.047 58.000 0.000 0.000 0.941 382 F CB 1.855 40.820 39.000 -0.057 0.000 1.291 382 F HN 0.358 nan 8.300 nan 0.000 0.472 383 S N 1.893 117.676 115.700 0.138 0.000 2.607 383 S HA 0.894 5.365 4.470 0.001 0.000 0.303 383 S C -1.259 173.360 174.600 0.030 0.000 1.086 383 S CA -0.700 57.513 58.200 0.021 0.000 0.995 383 S CB 1.861 65.043 63.200 -0.030 0.000 1.084 383 S HN 0.411 nan 8.310 nan 0.000 0.507 384 I N 2.059 122.619 120.570 -0.017 0.000 2.582 384 I HA 0.430 4.600 4.170 0.001 0.000 0.292 384 I C 0.352 176.448 176.117 -0.035 0.000 1.066 384 I CA -0.442 60.845 61.300 -0.021 0.000 1.053 384 I CB 1.630 39.611 38.000 -0.032 0.000 1.241 384 I HN 0.974 nan 8.210 nan 0.000 0.421 385 T N 0.640 115.177 114.554 -0.029 0.000 2.927 385 T HA 0.860 5.211 4.350 0.001 0.000 0.281 385 T C 0.233 174.911 174.700 -0.037 0.000 0.998 385 T CA -0.520 61.560 62.100 -0.033 0.000 1.019 385 T CB 1.958 70.813 68.868 -0.023 0.000 1.061 385 T HN 1.378 nan 8.240 nan 0.000 0.518 386 G N -0.123 108.654 108.800 -0.040 0.000 2.770 386 G HA2 0.139 4.099 3.960 0.001 0.000 0.686 386 G HA3 0.139 4.099 3.960 0.001 0.000 0.686 386 G C -0.092 174.772 174.900 -0.061 0.000 1.180 386 G CA -0.312 44.762 45.100 -0.043 0.000 0.767 386 G HN 0.884 nan 8.290 nan 0.000 0.646 387 S N -0.052 115.607 115.700 -0.068 0.000 2.730 387 S HA 0.500 4.970 4.470 0.001 0.000 0.244 387 S C 0.959 175.471 174.600 -0.148 0.000 1.022 387 S CA 0.829 58.971 58.200 -0.097 0.000 1.014 387 S CB 0.520 63.671 63.200 -0.082 0.000 0.963 387 S HN 1.671 nan 8.310 nan 0.000 0.540 388 T N -2.157 112.315 114.554 -0.137 0.000 2.831 388 T HA 0.532 4.882 4.350 0.001 0.000 0.287 388 T C 0.180 174.781 174.700 -0.165 0.000 1.070 388 T CA -0.582 61.399 62.100 -0.199 0.000 1.010 388 T CB 0.543 69.373 68.868 -0.063 0.000 1.264 388 T HN -0.064 nan 8.240 nan 0.000 0.532 389 Y N 0.681 120.997 120.300 0.027 0.000 2.571 389 Y HA 0.434 4.985 4.550 0.001 0.000 0.294 389 Y C 1.961 177.830 175.900 -0.052 0.000 1.141 389 Y CA -0.173 57.932 58.100 0.009 0.000 1.308 389 Y CB -1.081 37.410 38.460 0.052 0.000 1.002 389 Y HN 0.875 nan 8.280 nan 0.000 0.551 390 A N 2.558 125.431 122.820 0.089 0.000 2.540 390 A HA 0.092 4.413 4.320 0.001 0.000 0.239 390 A C -1.666 175.766 177.584 -0.253 0.000 1.061 390 A CA -0.897 51.045 52.037 -0.159 0.000 0.758 390 A CB -0.273 18.799 19.000 0.120 0.000 0.991 390 A HN 0.108 nan 8.150 nan 0.000 0.502 391 P HA 0.109 nan 4.420 nan 0.000 0.237 391 P C -0.713 176.494 177.300 -0.155 0.000 1.723 391 P CA 0.409 63.353 63.100 -0.259 0.000 0.882 391 P CB -0.365 31.156 31.700 -0.298 0.000 1.810 392 E N 0.460 120.598 120.200 -0.104 0.000 2.165 392 E HA 0.660 5.010 4.350 0.001 0.000 0.266 392 E C 0.315 176.893 176.600 -0.037 0.000 0.889 392 E CA -0.754 55.617 56.400 -0.048 0.000 0.756 392 E CB 1.805 31.499 29.700 -0.010 0.000 1.131 392 E HN 0.222 nan 8.360 nan 0.000 0.411 393 G N 2.444 111.225 108.800 -0.032 0.000 2.350 393 G HA2 0.139 4.099 3.960 0.001 0.000 0.304 393 G HA3 0.139 4.099 3.960 0.001 0.000 0.304 393 G C -1.491 173.394 174.900 -0.025 0.000 1.421 393 G CA -0.924 44.160 45.100 -0.027 0.000 0.934 393 G HN 0.415 nan 8.290 nan 0.000 0.632 394 E N -1.295 118.894 120.200 -0.018 0.000 2.359 394 E HA 0.658 5.008 4.350 0.001 0.000 0.266 394 E C -0.953 175.642 176.600 -0.008 0.000 0.920 394 E CA -1.106 55.287 56.400 -0.011 0.000 0.788 394 E CB 2.981 32.682 29.700 0.002 0.000 1.279 394 E HN 0.327 nan 8.360 nan 0.000 0.438 395 V N 2.510 122.422 119.914 -0.002 0.000 2.370 395 V HA 0.333 4.453 4.120 0.001 0.000 0.279 395 V C -0.281 175.856 176.094 0.073 0.000 1.029 395 V CA -0.497 61.809 62.300 0.011 0.000 0.870 395 V CB 0.402 32.193 31.823 -0.054 0.000 0.984 395 V HN 0.423 nan 8.190 nan 0.000 0.451 396 L N 4.228 125.512 121.223 0.103 0.000 2.319 396 L HA 0.733 5.073 4.340 0.001 0.000 0.267 396 L C -0.346 176.619 176.870 0.159 0.000 1.011 396 L CA -0.897 54.010 54.840 0.112 0.000 0.818 396 L CB 2.099 44.190 42.059 0.054 0.000 1.316 396 L HN 0.530 nan 8.230 nan 0.000 0.432 397 K N 1.809 122.273 120.400 0.106 0.000 2.601 397 K HA 0.296 4.617 4.320 0.001 0.000 0.249 397 K C -0.816 175.785 176.600 0.002 0.000 0.966 397 K CA -0.458 55.835 56.287 0.011 0.000 0.827 397 K CB 0.765 33.271 32.500 0.009 0.000 1.178 397 K HN 0.682 nan 8.250 nan 0.000 0.437 398 N N 3.597 122.281 118.700 -0.026 0.000 2.754 398 N HA -0.212 4.528 4.740 0.001 0.000 0.248 398 N C -0.715 174.796 175.510 0.002 0.000 1.093 398 N CA 1.518 54.560 53.050 -0.013 0.000 0.699 398 N CB -1.082 37.401 38.487 -0.007 0.000 1.016 398 N HN 1.061 nan 8.380 nan 0.000 0.552 399 D N -1.197 119.205 120.400 0.004 0.000 3.012 399 D HA -0.190 4.450 4.640 0.001 0.000 0.222 399 D C -0.703 175.608 176.300 0.019 0.000 1.167 399 D CA 1.619 55.624 54.000 0.008 0.000 0.854 399 D CB -0.498 40.302 40.800 0.000 0.000 1.107 399 D HN 0.623 nan 8.370 nan 0.000 0.421 400 K N -0.051 120.368 120.400 0.032 0.000 2.378 400 K HA 0.520 4.840 4.320 0.001 0.000 0.252 400 K C -2.637 174.001 176.600 0.063 0.000 0.931 400 K CA -2.056 54.256 56.287 0.042 0.000 0.794 400 K CB 2.128 34.653 32.500 0.042 0.000 1.181 400 K HN -0.127 nan 8.250 nan 0.000 0.425 401 P HA -0.005 nan 4.420 nan 0.000 0.265 401 P C -0.889 176.467 177.300 0.094 0.000 1.187 401 P CA -0.002 63.137 63.100 0.064 0.000 0.766 401 P CB 0.329 32.054 31.700 0.043 0.000 0.820 402 I N -1.379 119.261 120.570 0.115 0.000 3.195 402 I HA 0.578 4.749 4.170 0.001 0.000 0.313 402 I C -0.876 175.315 176.117 0.123 0.000 1.237 402 I CA -1.267 60.132 61.300 0.165 0.000 0.963 402 I CB 2.050 40.237 38.000 0.312 0.000 1.278 402 I HN 0.002 nan 8.210 nan 0.000 0.460 403 R N 1.732 122.311 120.500 0.133 0.000 2.215 403 R HA 0.440 4.781 4.340 0.001 0.000 0.337 403 R C 0.520 176.877 176.300 0.096 0.000 1.010 403 R CA -0.402 55.739 56.100 0.068 0.000 0.871 403 R CB 1.428 31.744 30.300 0.027 0.000 1.134 403 R HN 0.873 nan 8.270 nan 0.000 0.477 404 S N 2.021 117.731 115.700 0.016 0.000 2.372 404 S HA -0.209 4.262 4.470 0.001 0.000 0.227 404 S C 1.995 176.589 174.600 -0.011 0.000 1.044 404 S CA 1.886 60.060 58.200 -0.044 0.000 1.050 404 S CB -0.156 62.945 63.200 -0.165 0.000 0.901 404 S HN 0.927 nan 8.310 nan 0.000 0.447 405 G N 0.668 109.421 108.800 -0.079 0.000 2.499 405 G HA2 -0.260 3.701 3.960 0.001 0.000 0.221 405 G HA3 -0.260 3.701 3.960 0.001 0.000 0.221 405 G C 1.235 176.085 174.900 -0.083 0.000 1.109 405 G CA 0.725 45.748 45.100 -0.128 0.000 0.749 405 G HN 0.528 nan 8.290 nan 0.000 0.568 406 Q N -0.978 118.783 119.800 -0.065 0.000 2.291 406 Q HA 0.032 4.372 4.340 0.001 0.000 0.205 406 Q C -0.121 175.680 176.000 -0.331 0.000 0.970 406 Q CA 0.328 56.004 55.803 -0.212 0.000 0.876 406 Q CB 0.025 28.574 28.738 -0.316 0.000 0.935 406 Q HN 0.537 nan 8.270 nan 0.000 0.455 407 F N 0.602 120.528 119.950 -0.040 0.000 2.361 407 F HA 0.137 4.665 4.527 0.001 0.000 0.364 407 F C 0.897 176.664 175.800 -0.056 0.000 1.120 407 F CA -0.774 57.219 58.000 -0.011 0.000 1.102 407 F CB 1.051 40.068 39.000 0.027 0.000 1.183 407 F HN -0.112 nan 8.300 nan 0.000 0.476 408 D N 2.826 123.286 120.400 0.100 0.000 2.133 408 D HA -0.177 4.464 4.640 0.001 0.000 0.195 408 D C 2.265 178.586 176.300 0.035 0.000 0.997 408 D CA 1.695 55.718 54.000 0.039 0.000 0.840 408 D CB -0.133 40.690 40.800 0.039 0.000 0.947 408 D HN 0.823 nan 8.370 nan 0.000 0.452 409 G N 1.265 110.119 108.800 0.091 0.000 2.469 409 G HA2 -0.231 3.729 3.960 0.001 0.000 0.219 409 G HA3 -0.231 3.729 3.960 0.001 0.000 0.219 409 G C 1.821 176.703 174.900 -0.029 0.000 1.150 409 G CA 0.268 45.397 45.100 0.048 0.000 0.763 409 G HN 0.248 nan 8.290 nan 0.000 0.561 410 L N 0.315 121.517 121.223 -0.036 0.000 2.201 410 L HA -0.072 4.268 4.340 0.001 0.000 0.212 410 L C 2.961 179.721 176.870 -0.184 0.000 1.105 410 L CA 0.290 55.034 54.840 -0.160 0.000 0.775 410 L CB -0.306 41.603 42.059 -0.250 0.000 0.913 410 L HN 0.118 nan 8.230 nan 0.000 0.440 411 V N -0.215 119.599 119.914 -0.167 0.000 2.343 411 V HA -0.289 3.831 4.120 0.001 0.000 0.247 411 V C 2.391 178.367 176.094 -0.197 0.000 1.051 411 V CA 1.938 64.090 62.300 -0.248 0.000 1.036 411 V CB -0.391 31.293 31.823 -0.231 0.000 0.654 411 V HN 0.484 nan 8.190 nan 0.000 0.451 412 E N -0.356 119.758 120.200 -0.144 0.000 2.107 412 E HA -0.162 4.188 4.350 0.001 0.000 0.191 412 E C 2.258 178.726 176.600 -0.220 0.000 0.982 412 E CA 0.637 56.941 56.400 -0.160 0.000 0.809 412 E CB -0.046 29.600 29.700 -0.090 0.000 0.756 412 E HN 0.374 nan 8.360 nan 0.000 0.459 413 L N 1.060 122.167 121.223 -0.192 0.000 1.989 413 L HA -0.180 4.160 4.340 0.001 0.000 0.211 413 L C 2.340 179.084 176.870 -0.211 0.000 1.071 413 L CA 2.350 57.068 54.840 -0.203 0.000 0.749 413 L CB -1.384 40.562 42.059 -0.188 0.000 0.890 413 L HN 0.204 nan 8.230 nan 0.000 0.431 414 A N -1.350 121.345 122.820 -0.208 0.000 1.933 414 A HA -0.205 4.115 4.320 0.001 0.000 0.218 414 A C 2.207 179.671 177.584 -0.201 0.000 1.175 414 A CA 2.228 54.151 52.037 -0.190 0.000 0.628 414 A CB -0.961 17.921 19.000 -0.197 0.000 0.814 414 A HN 0.525 nan 8.150 nan 0.000 0.444 415 T N 0.266 114.669 114.554 -0.253 0.000 2.788 415 T HA -0.073 4.277 4.350 0.001 0.000 0.268 415 T C 1.772 176.164 174.700 -0.513 0.000 1.044 415 T CA 1.476 63.372 62.100 -0.340 0.000 1.139 415 T CB -0.369 68.259 68.868 -0.400 0.000 0.867 415 T HN 0.449 nan 8.240 nan 0.000 0.454 416 I N 0.641 120.904 120.570 -0.512 0.000 2.202 416 I HA -0.157 4.013 4.170 0.001 0.000 0.242 416 I C 2.569 178.557 176.117 -0.215 0.000 1.091 416 I CA 0.837 61.879 61.300 -0.430 0.000 1.368 416 I CB -0.464 37.378 38.000 -0.263 0.000 1.058 416 I HN 0.309 nan 8.210 nan 0.000 0.410 417 C N 0.880 120.075 119.300 -0.175 0.000 2.422 417 C HA -0.102 4.359 4.460 0.001 0.000 0.279 417 C C 3.124 178.059 174.990 -0.091 0.000 1.305 417 C CA 0.912 59.864 59.018 -0.110 0.000 1.757 417 C CB -1.286 26.393 27.740 -0.102 0.000 1.962 417 C HN 0.590 nan 8.230 nan 0.000 0.499 418 A N 0.247 123.000 122.820 -0.113 0.000 1.874 418 A HA 0.056 4.377 4.320 0.001 0.000 0.214 418 A C 2.107 179.657 177.584 -0.057 0.000 1.189 418 A CA 1.106 53.098 52.037 -0.075 0.000 0.615 418 A CB -0.424 18.535 19.000 -0.068 0.000 0.830 418 A HN 0.561 nan 8.150 nan 0.000 0.443 419 L N -1.250 119.924 121.223 -0.082 0.000 2.095 419 L HA -0.044 4.296 4.340 0.001 0.000 0.204 419 L C 1.591 178.478 176.870 0.028 0.000 1.080 419 L CA 0.472 55.303 54.840 -0.014 0.000 0.759 419 L CB -0.463 41.606 42.059 0.017 0.000 0.914 419 L HN 0.437 nan 8.230 nan 0.000 0.439 420 C N 2.579 121.894 119.300 0.023 0.000 3.025 420 C HA 0.288 4.748 4.460 0.001 0.000 0.547 420 C C 0.235 175.240 174.990 0.025 0.000 1.058 420 C CA -0.389 58.660 59.018 0.052 0.000 1.164 420 C CB -2.381 25.403 27.740 0.073 0.000 1.405 420 C HN 0.361 nan 8.230 nan 0.000 0.610 421 N N 1.152 119.863 118.700 0.020 0.000 2.367 421 N HA 0.276 5.016 4.740 0.001 0.000 0.278 421 N C -0.610 174.908 175.510 0.013 0.000 1.117 421 N CA -0.265 52.789 53.050 0.007 0.000 0.867 421 N CB 1.817 40.298 38.487 -0.011 0.000 1.649 421 N HN 0.343 nan 8.380 nan 0.000 0.479 422 D N 0.123 120.528 120.400 0.008 0.000 2.469 422 D HA 0.246 4.886 4.640 0.001 0.000 0.213 422 D C -0.241 176.057 176.300 -0.003 0.000 1.135 422 D CA 0.345 54.352 54.000 0.012 0.000 0.834 422 D CB 0.761 41.575 40.800 0.022 0.000 1.009 422 D HN 0.335 nan 8.370 nan 0.000 0.507 423 S N -0.547 115.142 115.700 -0.018 0.000 2.768 423 S HA 0.760 5.231 4.470 0.001 0.000 0.300 423 S C 0.153 174.733 174.600 -0.034 0.000 1.122 423 S CA -0.544 57.635 58.200 -0.035 0.000 0.995 423 S CB 2.035 65.197 63.200 -0.063 0.000 1.195 423 S HN 0.207 nan 8.310 nan 0.000 0.547 424 S N -0.516 115.156 115.700 -0.047 0.000 2.661 424 S HA 0.718 5.189 4.470 0.001 0.000 0.268 424 S C -1.860 172.714 174.600 -0.043 0.000 1.162 424 S CA -0.735 57.445 58.200 -0.032 0.000 0.817 424 S CB 0.708 63.904 63.200 -0.008 0.000 1.141 424 S HN 0.405 nan 8.310 nan 0.000 0.477 425 L N 1.189 122.409 121.223 -0.004 0.000 2.334 425 L HA 0.854 5.194 4.340 0.001 0.000 0.273 425 L C -1.201 175.730 176.870 0.102 0.000 1.013 425 L CA 0.113 54.974 54.840 0.035 0.000 0.816 425 L CB 1.674 43.761 42.059 0.048 0.000 1.278 425 L HN 1.021 nan 8.230 nan 0.000 0.431 426 D N 1.557 122.049 120.400 0.154 0.000 2.934 426 D HA 0.290 4.930 4.640 0.001 0.000 0.230 426 D C -1.715 174.722 176.300 0.230 0.000 1.204 426 D CA -0.332 53.767 54.000 0.164 0.000 0.873 426 D CB 1.188 42.030 40.800 0.070 0.000 1.645 426 D HN 0.240 nan 8.370 nan 0.000 0.502 427 F N 3.873 123.851 119.950 0.047 0.000 2.411 427 F HA 0.380 4.908 4.527 0.001 0.000 0.355 427 F C 0.095 175.832 175.800 -0.106 0.000 1.117 427 F CA -0.795 57.125 58.000 -0.133 0.000 1.139 427 F CB 0.766 39.600 39.000 -0.278 0.000 1.120 427 F HN 0.275 nan 8.300 nan 0.000 0.493 428 N N 5.721 123.989 118.700 -0.719 0.000 2.663 428 N HA 0.008 4.749 4.740 0.001 0.000 0.250 428 N C 0.860 175.923 175.510 -0.745 0.000 1.129 428 N CA 0.290 53.028 53.050 -0.521 0.000 0.995 428 N CB 0.184 38.461 38.487 -0.350 0.000 1.324 428 N HN 0.802 nan 8.380 nan 0.000 0.512 429 E N 0.779 120.710 120.200 -0.448 0.000 2.171 429 E HA -0.182 4.169 4.350 0.001 0.000 0.197 429 E C 0.978 177.475 176.600 -0.170 0.000 0.997 429 E CA 1.565 57.840 56.400 -0.208 0.000 0.810 429 E CB 0.255 29.975 29.700 0.033 0.000 0.738 429 E HN 0.593 nan 8.360 nan 0.000 0.467 430 T N 1.247 115.704 114.554 -0.162 0.000 2.674 430 T HA -0.140 4.211 4.350 0.001 0.000 0.265 430 T C 1.595 176.221 174.700 -0.124 0.000 1.039 430 T CA 1.254 63.288 62.100 -0.109 0.000 1.150 430 T CB -0.079 68.736 68.868 -0.089 0.000 0.864 430 T HN 0.157 nan 8.240 nan 0.000 0.427 431 K N 0.593 120.884 120.400 -0.182 0.000 2.426 431 K HA 0.302 4.622 4.320 0.001 0.000 0.193 431 K C 1.416 177.906 176.600 -0.184 0.000 1.028 431 K CA 0.430 56.625 56.287 -0.154 0.000 1.047 431 K CB 0.277 32.693 32.500 -0.140 0.000 0.821 431 K HN 0.407 nan 8.250 nan 0.000 0.513 432 G N 2.100 110.717 108.800 -0.306 0.000 2.198 432 G HA2 -0.251 3.710 3.960 0.001 0.000 0.260 432 G HA3 -0.251 3.710 3.960 0.001 0.000 0.260 432 G C 0.065 174.814 174.900 -0.253 0.000 1.025 432 G CA 0.487 45.449 45.100 -0.231 0.000 0.769 432 G HN 0.298 nan 8.290 nan 0.000 0.507 433 V N -4.392 115.184 119.914 -0.565 0.000 3.114 433 V HA 0.800 4.920 4.120 0.001 0.000 0.308 433 V C -0.159 175.723 176.094 -0.352 0.000 1.168 433 V CA -2.549 59.604 62.300 -0.244 0.000 1.015 433 V CB 1.317 33.115 31.823 -0.042 0.000 1.050 433 V HN 0.319 nan 8.190 nan 0.000 0.433 434 Y N 1.059 121.449 120.300 0.150 0.000 2.359 434 Y HA 0.581 5.132 4.550 0.001 0.000 0.330 434 Y C 0.846 176.823 175.900 0.128 0.000 1.143 434 Y CA 0.322 58.544 58.100 0.203 0.000 1.318 434 Y CB 0.864 39.491 38.460 0.279 0.000 1.234 434 Y HN 0.700 nan 8.280 nan 0.000 0.522 435 E N 2.440 122.770 120.200 0.216 0.000 2.320 435 E HA 0.322 4.673 4.350 0.001 0.000 0.264 435 E C -1.090 175.523 176.600 0.021 0.000 0.923 435 E CA -1.416 55.063 56.400 0.132 0.000 0.796 435 E CB 2.116 31.838 29.700 0.037 0.000 1.262 435 E HN 0.493 nan 8.360 nan 0.000 0.428 436 K N -0.419 119.899 120.400 -0.137 0.000 2.118 436 K HA 0.500 4.820 4.320 0.001 0.000 0.264 436 K C -0.770 175.737 176.600 -0.154 0.000 1.000 436 K CA -0.610 55.475 56.287 -0.337 0.000 0.929 436 K CB 1.062 33.157 32.500 -0.675 0.000 1.021 436 K HN 0.146 nan 8.250 nan 0.000 0.463 437 V N 1.884 121.715 119.914 -0.138 0.000 2.398 437 V HA 0.541 4.662 4.120 0.001 0.000 0.282 437 V C 0.316 176.365 176.094 -0.075 0.000 1.014 437 V CA 0.219 62.476 62.300 -0.072 0.000 0.838 437 V CB 0.060 31.860 31.823 -0.038 0.000 1.018 437 V HN 1.209 nan 8.190 nan 0.000 0.432 438 G N 4.541 113.304 108.800 -0.062 0.000 2.416 438 G HA2 -0.092 3.869 3.960 0.001 0.000 0.203 438 G HA3 -0.092 3.869 3.960 0.001 0.000 0.203 438 G C -0.592 174.270 174.900 -0.062 0.000 1.227 438 G CA -0.668 44.402 45.100 -0.050 0.000 1.041 438 G HN 0.571 nan 8.290 nan 0.000 0.546 439 E N 0.596 120.764 120.200 -0.053 0.000 2.354 439 E HA 0.465 4.816 4.350 0.001 0.000 0.269 439 E C 1.518 178.084 176.600 -0.057 0.000 1.036 439 E CA 0.049 56.422 56.400 -0.046 0.000 0.876 439 E CB 1.476 31.152 29.700 -0.041 0.000 1.009 439 E HN 0.898 nan 8.360 nan 0.000 0.416 440 A N 2.595 125.407 122.820 -0.014 0.000 1.883 440 A HA -0.215 4.105 4.320 0.001 0.000 0.217 440 A C 2.188 179.816 177.584 0.073 0.000 1.186 440 A CA 2.386 54.458 52.037 0.058 0.000 0.624 440 A CB -1.035 18.050 19.000 0.143 0.000 0.822 440 A HN 0.760 nan 8.150 nan 0.000 0.444 441 T N -2.493 112.083 114.554 0.036 0.000 3.007 441 T HA -0.030 4.320 4.350 0.001 0.000 0.270 441 T C 1.410 176.117 174.700 0.011 0.000 1.107 441 T CA 1.422 63.539 62.100 0.029 0.000 1.118 441 T CB -0.188 68.683 68.868 0.005 0.000 0.889 441 T HN 0.634 nan 8.240 nan 0.000 0.506 442 E N 0.691 120.883 120.200 -0.013 0.000 2.166 442 E HA 0.005 4.356 4.350 0.001 0.000 0.192 442 E C 2.188 178.768 176.600 -0.034 0.000 0.967 442 E CA 0.927 57.313 56.400 -0.024 0.000 0.840 442 E CB -0.064 29.616 29.700 -0.034 0.000 0.795 442 E HN 0.484 nan 8.360 nan 0.000 0.470 443 T N 1.343 115.855 114.554 -0.069 0.000 2.915 443 T HA -0.087 4.263 4.350 0.001 0.000 0.269 443 T C 1.994 176.693 174.700 -0.002 0.000 1.071 443 T CA 0.988 63.013 62.100 -0.125 0.000 1.132 443 T CB -0.091 68.533 68.868 -0.407 0.000 0.878 443 T HN 0.181 nan 8.240 nan 0.000 0.479 444 A N 1.385 124.260 122.820 0.091 0.000 1.933 444 A HA 0.008 4.329 4.320 0.001 0.000 0.218 444 A C 2.255 179.867 177.584 0.047 0.000 1.175 444 A CA 1.112 53.229 52.037 0.132 0.000 0.628 444 A CB -0.723 18.345 19.000 0.114 0.000 0.814 444 A HN 0.484 nan 8.150 nan 0.000 0.444 445 L N -1.053 120.179 121.223 0.013 0.000 2.072 445 L HA -0.132 4.209 4.340 0.001 0.000 0.205 445 L C 2.794 179.649 176.870 -0.025 0.000 1.079 445 L CA 1.687 56.519 54.840 -0.015 0.000 0.752 445 L CB -1.139 40.905 42.059 -0.024 0.000 0.906 445 L HN 0.331 nan 8.230 nan 0.000 0.436 446 T N -0.881 113.659 114.554 -0.024 0.000 2.652 446 T HA -0.210 4.140 4.350 0.001 0.000 0.267 446 T C 1.910 176.594 174.700 -0.027 0.000 1.039 446 T CA 2.122 64.204 62.100 -0.031 0.000 1.153 446 T CB -0.375 68.470 68.868 -0.038 0.000 0.863 446 T HN 0.312 nan 8.240 nan 0.000 0.428 447 T N 2.293 116.845 114.554 -0.004 0.000 2.759 447 T HA -0.076 4.274 4.350 0.001 0.000 0.269 447 T C 1.905 176.589 174.700 -0.027 0.000 1.042 447 T CA 1.054 63.152 62.100 -0.002 0.000 1.140 447 T CB -0.503 68.413 68.868 0.080 0.000 0.864 447 T HN 0.158 nan 8.240 nan 0.000 0.455 448 L N 1.333 122.542 121.223 -0.022 0.000 1.989 448 L HA -0.060 4.281 4.340 0.001 0.000 0.211 448 L C 2.433 179.264 176.870 -0.065 0.000 1.071 448 L CA 1.605 56.418 54.840 -0.044 0.000 0.749 448 L CB -0.850 41.182 42.059 -0.044 0.000 0.890 448 L HN 0.073 nan 8.230 nan 0.000 0.431 449 V N 0.094 119.969 119.914 -0.064 0.000 2.392 449 V HA -0.262 3.859 4.120 0.001 0.000 0.249 449 V C 2.691 178.747 176.094 -0.064 0.000 1.059 449 V CA 1.870 64.127 62.300 -0.072 0.000 1.051 449 V CB -0.781 31.005 31.823 -0.062 0.000 0.658 449 V HN 0.500 nan 8.190 nan 0.000 0.455 450 E N 0.232 120.397 120.200 -0.058 0.000 2.106 450 E HA -0.187 4.164 4.350 0.001 0.000 0.192 450 E C 2.236 178.797 176.600 -0.065 0.000 0.984 450 E CA 1.115 57.479 56.400 -0.061 0.000 0.806 450 E CB -0.206 29.445 29.700 -0.081 0.000 0.750 450 E HN 0.625 nan 8.360 nan 0.000 0.458 451 K N 0.081 120.440 120.400 -0.068 0.000 2.062 451 K HA 0.043 4.364 4.320 0.001 0.000 0.205 451 K C 2.316 178.875 176.600 -0.068 0.000 1.051 451 K CA 1.007 57.255 56.287 -0.064 0.000 0.941 451 K CB -0.115 32.349 32.500 -0.061 0.000 0.719 451 K HN 0.081 nan 8.250 nan 0.000 0.440 452 M N 0.794 120.342 119.600 -0.087 0.000 2.159 452 M HA -0.113 4.368 4.480 0.001 0.000 0.263 452 M C 0.562 176.800 176.300 -0.102 0.000 1.063 452 M CA 0.626 55.859 55.300 -0.112 0.000 1.110 452 M CB -0.604 31.906 32.600 -0.150 0.000 1.374 452 M HN 0.160 nan 8.290 nan 0.000 0.411 453 N N 1.328 119.978 118.700 -0.083 0.000 2.689 453 N HA -0.135 4.605 4.740 0.001 0.000 0.263 453 N C 0.492 175.941 175.510 -0.102 0.000 0.987 453 N CA 0.628 53.644 53.050 -0.058 0.000 0.782 453 N CB -0.671 37.798 38.487 -0.030 0.000 0.903 453 N HN 0.377 nan 8.380 nan 0.000 0.547 454 V N -2.695 117.093 119.914 -0.210 0.000 2.660 454 V HA -0.158 3.963 4.120 0.001 0.000 0.257 454 V C 1.594 177.399 176.094 -0.482 0.000 1.088 454 V CA 1.720 63.790 62.300 -0.383 0.000 1.106 454 V CB -0.831 30.648 31.823 -0.574 0.000 0.686 454 V HN 0.269 nan 8.190 nan 0.000 0.481 455 F N 0.893 120.822 119.950 -0.035 0.000 2.641 455 F HA 0.476 5.004 4.527 0.001 0.000 0.302 455 F C 1.152 176.938 175.800 -0.024 0.000 1.098 455 F CA -0.929 57.054 58.000 -0.029 0.000 1.318 455 F CB -0.800 38.182 39.000 -0.030 0.000 1.035 455 F HN 0.185 nan 8.300 nan 0.000 0.551 456 N N 0.996 119.740 118.700 0.074 0.000 2.716 456 N HA -0.178 4.563 4.740 0.001 0.000 0.250 456 N C -0.217 175.330 175.510 0.061 0.000 1.033 456 N CA 0.999 54.078 53.050 0.048 0.000 0.727 456 N CB -1.370 37.138 38.487 0.036 0.000 0.950 456 N HN 0.136 nan 8.380 nan 0.000 0.541 457 T N 0.789 115.388 114.554 0.075 0.000 2.901 457 T HA 0.056 4.406 4.350 0.001 0.000 0.301 457 T C 0.782 175.499 174.700 0.027 0.000 1.012 457 T CA -0.214 61.918 62.100 0.054 0.000 1.135 457 T CB 1.396 70.300 68.868 0.060 0.000 0.936 457 T HN 0.124 nan 8.240 nan 0.000 0.539 458 E N 2.280 122.491 120.200 0.018 0.000 2.351 458 E HA 0.154 4.505 4.350 0.001 0.000 0.266 458 E C 0.561 177.164 176.600 0.005 0.000 1.031 458 E CA -0.169 56.236 56.400 0.009 0.000 0.911 458 E CB 0.192 29.896 29.700 0.006 0.000 0.986 458 E HN 0.459 nan 8.360 nan 0.000 0.446 459 V N 1.889 121.804 119.914 0.001 0.000 3.398 459 V HA 0.301 4.421 4.120 0.001 0.000 0.298 459 V C 1.488 177.578 176.094 -0.006 0.000 1.496 459 V CA -0.134 62.164 62.300 -0.003 0.000 1.044 459 V CB 0.057 31.876 31.823 -0.007 0.000 0.880 459 V HN 0.497 nan 8.190 nan 0.000 0.443 460 R N 1.396 121.893 120.500 -0.005 0.000 2.070 460 R HA -0.033 4.308 4.340 0.001 0.000 0.233 460 R C 2.084 178.379 176.300 -0.008 0.000 1.137 460 R CA 2.022 58.118 56.100 -0.006 0.000 0.945 460 R CB -0.376 29.922 30.300 -0.003 0.000 0.845 460 R HN 0.554 nan 8.270 nan 0.000 0.430 461 N N 1.006 119.703 118.700 -0.006 0.000 2.142 461 N HA -0.082 4.659 4.740 0.001 0.000 0.186 461 N C 0.909 176.412 175.510 -0.012 0.000 1.023 461 N CA 0.647 53.693 53.050 -0.008 0.000 0.852 461 N CB -0.344 38.140 38.487 -0.005 0.000 0.998 461 N HN 0.109 nan 8.380 nan 0.000 0.424 462 L N 1.514 122.731 121.223 -0.011 0.000 2.517 462 L HA -0.088 4.252 4.340 0.001 0.000 0.294 462 L C 1.283 178.137 176.870 -0.027 0.000 1.264 462 L CA -0.053 54.779 54.840 -0.014 0.000 0.839 462 L CB 0.062 42.116 42.059 -0.008 0.000 1.098 462 L HN 0.219 nan 8.230 nan 0.000 0.525 463 S N 1.035 116.714 115.700 -0.036 0.000 2.738 463 S HA 0.320 4.791 4.470 0.001 0.000 0.284 463 S C 0.828 175.360 174.600 -0.114 0.000 1.146 463 S CA -0.906 57.250 58.200 -0.073 0.000 0.997 463 S CB 1.476 64.637 63.200 -0.065 0.000 1.081 463 S HN 0.481 nan 8.310 nan 0.000 0.553 464 K N 0.585 120.823 120.400 -0.270 0.000 1.991 464 K HA -0.109 4.212 4.320 0.001 0.000 0.212 464 K C 2.342 178.783 176.600 -0.265 0.000 1.049 464 K CA 1.750 57.723 56.287 -0.524 0.000 0.932 464 K CB -1.556 29.973 32.500 -1.618 0.000 0.717 464 K HN 0.713 nan 8.250 nan 0.000 0.441 465 V N -0.207 119.601 119.914 -0.176 0.000 2.392 465 V HA -0.246 3.875 4.120 0.001 0.000 0.249 465 V C 1.863 178.001 176.094 0.073 0.000 1.059 465 V CA 1.919 64.255 62.300 0.060 0.000 1.051 465 V CB -0.720 31.153 31.823 0.084 0.000 0.658 465 V HN 0.259 nan 8.190 nan 0.000 0.455 466 E N 0.240 120.456 120.200 0.027 0.000 2.122 466 E HA -0.078 4.273 4.350 0.001 0.000 0.190 466 E C 2.317 178.940 176.600 0.039 0.000 0.977 466 E CA 0.807 57.225 56.400 0.031 0.000 0.820 466 E CB -0.210 29.495 29.700 0.009 0.000 0.770 466 E HN 0.478 nan 8.360 nan 0.000 0.462 467 R N 1.509 122.033 120.500 0.040 0.000 2.096 467 R HA -0.060 4.280 4.340 0.001 0.000 0.235 467 R C 1.988 178.310 176.300 0.036 0.000 1.127 467 R CA 1.452 57.571 56.100 0.031 0.000 0.968 467 R CB -0.740 29.577 30.300 0.030 0.000 0.861 467 R HN 0.158 nan 8.270 nan 0.000 0.440 468 A N 0.368 123.271 122.820 0.138 0.000 1.971 468 A HA -0.199 4.121 4.320 0.001 0.000 0.222 468 A C 1.185 178.795 177.584 0.042 0.000 1.182 468 A CA 2.142 54.259 52.037 0.134 0.000 0.649 468 A CB -0.338 18.850 19.000 0.313 0.000 0.818 468 A HN 0.575 nan 8.150 nan 0.000 0.458 469 N N -2.139 116.586 118.700 0.041 0.000 2.307 469 N HA 0.315 5.056 4.740 0.001 0.000 0.248 469 N C 1.147 176.665 175.510 0.012 0.000 1.322 469 N CA 0.638 53.700 53.050 0.019 0.000 0.861 469 N CB 0.585 39.089 38.487 0.027 0.000 1.303 469 N HN 0.388 nan 8.380 nan 0.000 0.498 470 A N 0.580 123.406 122.820 0.010 0.000 1.873 470 A HA -0.187 4.133 4.320 0.001 0.000 0.218 470 A C 2.308 179.900 177.584 0.012 0.000 1.193 470 A CA 1.510 53.553 52.037 0.009 0.000 0.629 470 A CB -0.795 18.208 19.000 0.005 0.000 0.826 470 A HN 0.441 nan 8.150 nan 0.000 0.447 471 C N -0.527 118.779 119.300 0.010 0.000 2.450 471 C HA -0.007 4.454 4.460 0.001 0.000 0.279 471 C C 2.608 177.617 174.990 0.031 0.000 1.335 471 C CA 0.694 59.729 59.018 0.028 0.000 1.749 471 C CB -1.478 26.268 27.740 0.011 0.000 1.963 471 C HN 0.615 nan 8.230 nan 0.000 0.501 472 N N 1.317 120.023 118.700 0.009 0.000 2.188 472 N HA -0.089 4.652 4.740 0.001 0.000 0.184 472 N C 1.823 177.338 175.510 0.009 0.000 1.018 472 N CA 1.297 54.349 53.050 0.004 0.000 0.858 472 N CB -0.270 38.212 38.487 -0.007 0.000 0.989 472 N HN 0.438 nan 8.380 nan 0.000 0.426 473 S N 0.471 116.176 115.700 0.008 0.000 2.423 473 S HA -0.020 4.450 4.470 0.001 0.000 0.231 473 S C 2.225 176.822 174.600 -0.004 0.000 1.014 473 S CA 0.328 58.530 58.200 0.003 0.000 0.965 473 S CB -0.028 63.175 63.200 0.004 0.000 0.785 473 S HN 0.082 nan 8.310 nan 0.000 0.495 474 V N 2.049 121.966 119.914 0.005 0.000 2.307 474 V HA -0.141 3.980 4.120 0.001 0.000 0.245 474 V C 2.012 178.079 176.094 -0.044 0.000 1.045 474 V CA 1.504 63.792 62.300 -0.020 0.000 1.024 474 V CB -0.537 31.300 31.823 0.025 0.000 0.651 474 V HN 0.471 nan 8.190 nan 0.000 0.449 475 I N -0.459 120.125 120.570 0.023 0.000 2.315 475 I HA -0.206 3.964 4.170 0.001 0.000 0.248 475 I C 2.595 178.708 176.117 -0.007 0.000 1.117 475 I CA 1.374 62.692 61.300 0.031 0.000 1.404 475 I CB -0.399 37.640 38.000 0.065 0.000 1.071 475 I HN 0.210 nan 8.210 nan 0.000 0.419 476 R N 0.369 120.865 120.500 -0.006 0.000 2.237 476 R HA -0.131 4.209 4.340 0.001 0.000 0.219 476 R C 1.993 178.285 176.300 -0.013 0.000 1.080 476 R CA 0.784 56.882 56.100 -0.003 0.000 0.995 476 R CB -0.170 30.131 30.300 0.002 0.000 0.875 476 R HN 0.497 nan 8.270 nan 0.000 0.462 477 Q N -0.059 119.720 119.800 -0.035 0.000 2.389 477 Q HA 0.055 4.395 4.340 0.001 0.000 0.204 477 Q C 1.705 177.668 176.000 -0.062 0.000 0.944 477 Q CA 0.633 56.408 55.803 -0.047 0.000 0.908 477 Q CB 0.387 29.087 28.738 -0.063 0.000 1.002 477 Q HN 0.333 nan 8.270 nan 0.000 0.493 478 L N -0.989 120.190 121.223 -0.074 0.000 2.286 478 L HA 0.168 4.509 4.340 0.001 0.000 0.203 478 L C 0.481 177.339 176.870 -0.021 0.000 1.068 478 L CA 0.318 55.111 54.840 -0.078 0.000 0.811 478 L CB 0.348 42.326 42.059 -0.135 0.000 0.989 478 L HN 0.195 nan 8.230 nan 0.000 0.467 479 M N 0.517 120.121 119.600 0.007 0.000 2.259 479 M HA 0.309 4.790 4.480 0.001 0.000 0.304 479 M C -0.822 175.505 176.300 0.044 0.000 1.019 479 M CA -0.210 55.119 55.300 0.047 0.000 0.922 479 M CB 2.090 34.759 32.600 0.114 0.000 1.600 479 M HN -0.097 nan 8.290 nan 0.000 0.433 480 K N 2.759 123.182 120.400 0.039 0.000 2.183 480 K HA 0.323 4.643 4.320 0.001 0.000 0.274 480 K C -0.549 176.076 176.600 0.041 0.000 1.009 480 K CA -0.404 55.905 56.287 0.037 0.000 0.888 480 K CB 1.541 34.061 32.500 0.033 0.000 1.078 480 K HN 0.642 nan 8.250 nan 0.000 0.459 481 K N 4.107 124.530 120.400 0.039 0.000 2.276 481 K HA 0.059 4.379 4.320 0.001 0.000 0.285 481 K C 0.114 176.729 176.600 0.025 0.000 1.062 481 K CA 0.055 56.354 56.287 0.020 0.000 0.918 481 K CB 0.799 33.316 32.500 0.028 0.000 1.055 481 K HN 0.636 nan 8.250 nan 0.000 0.477 482 E N 3.294 123.495 120.200 0.002 0.000 2.127 482 E HA 0.036 4.386 4.350 0.001 0.000 0.191 482 E C -0.360 176.364 176.600 0.207 0.000 0.964 482 E CA 0.559 57.022 56.400 0.105 0.000 0.832 482 E CB 0.132 29.945 29.700 0.189 0.000 0.790 482 E HN 0.549 nan 8.360 nan 0.000 0.465 483 F N -1.964 118.002 119.950 0.027 0.000 2.741 483 F HA 0.498 5.025 4.527 0.001 0.000 0.311 483 F C -1.022 174.781 175.800 0.004 0.000 1.149 483 F CA -1.296 56.700 58.000 -0.006 0.000 0.930 483 F CB 1.235 40.196 39.000 -0.065 0.000 1.312 483 F HN -0.442 nan 8.300 nan 0.000 0.450 484 T N 2.645 117.302 114.554 0.171 0.000 2.823 484 T HA 0.565 4.916 4.350 0.001 0.000 0.279 484 T C -0.599 174.139 174.700 0.063 0.000 0.998 484 T CA -0.571 61.573 62.100 0.074 0.000 0.994 484 T CB 1.445 70.366 68.868 0.089 0.000 0.960 484 T HN 0.604 nan 8.240 nan 0.000 0.448 485 L N 4.214 125.393 121.223 -0.074 0.000 2.314 485 L HA 0.290 4.630 4.340 0.001 0.000 0.275 485 L C 1.182 178.075 176.870 0.040 0.000 1.068 485 L CA -0.728 53.886 54.840 -0.377 0.000 0.894 485 L CB 0.232 41.920 42.059 -0.618 0.000 1.275 485 L HN 0.746 nan 8.230 nan 0.000 0.432 486 E N 2.880 123.235 120.200 0.258 0.000 2.437 486 E HA -0.103 4.247 4.350 0.001 0.000 0.263 486 E C -0.309 176.527 176.600 0.393 0.000 1.030 486 E CA -0.473 56.119 56.400 0.320 0.000 0.934 486 E CB 0.800 30.688 29.700 0.312 0.000 0.943 486 E HN 0.315 nan 8.360 nan 0.000 0.444 487 F N 2.588 122.644 119.950 0.177 0.000 2.595 487 F HA 0.056 4.584 4.527 0.001 0.000 0.359 487 F C -0.115 175.771 175.800 0.143 0.000 1.147 487 F CA 0.632 58.722 58.000 0.151 0.000 1.341 487 F CB 0.604 39.667 39.000 0.104 0.000 1.104 487 F HN 0.535 nan 8.300 nan 0.000 0.603 488 S N 5.331 120.653 115.700 -0.631 0.000 2.540 488 S HA 0.465 4.935 4.470 0.001 0.000 0.275 488 S C 0.339 174.492 174.600 -0.746 0.000 1.123 488 S CA -1.099 56.842 58.200 -0.432 0.000 0.907 488 S CB 2.081 65.156 63.200 -0.208 0.000 1.081 488 S HN 0.812 nan 8.310 nan 0.000 0.476 489 R N 1.435 121.733 120.500 -0.336 0.000 2.117 489 R HA -0.157 4.184 4.340 0.001 0.000 0.243 489 R C 1.545 177.742 176.300 -0.173 0.000 1.143 489 R CA 2.269 58.262 56.100 -0.179 0.000 0.968 489 R CB -0.757 29.555 30.300 0.020 0.000 0.863 489 R HN 0.940 nan 8.270 nan 0.000 0.444 490 D N -0.086 120.218 120.400 -0.160 0.000 2.263 490 D HA -0.207 4.434 4.640 0.001 0.000 0.208 490 D C 1.955 178.182 176.300 -0.121 0.000 0.971 490 D CA 0.938 54.868 54.000 -0.116 0.000 0.867 490 D CB -0.002 40.734 40.800 -0.106 0.000 0.929 490 D HN 0.182 nan 8.370 nan 0.000 0.492 491 R N 0.425 120.813 120.500 -0.186 0.000 2.287 491 R HA 0.114 4.454 4.340 0.001 0.000 0.197 491 R C 0.072 176.282 176.300 -0.150 0.000 0.900 491 R CA -0.070 55.946 56.100 -0.140 0.000 1.052 491 R CB 0.234 30.468 30.300 -0.109 0.000 1.117 491 R HN -0.141 nan 8.270 nan 0.000 0.568 492 K N 1.394 121.594 120.400 -0.333 0.000 3.077 492 K HA -0.172 4.149 4.320 0.001 0.000 0.264 492 K C -1.109 175.552 176.600 0.102 0.000 1.008 492 K CA 0.963 57.173 56.287 -0.129 0.000 0.740 492 K CB -1.589 30.962 32.500 0.085 0.000 1.273 492 K HN 0.552 nan 8.250 nan 0.000 0.477 493 S N -1.136 114.564 115.700 0.001 0.000 2.611 493 S HA 0.790 5.260 4.470 0.001 0.000 0.268 493 S C -0.744 173.993 174.600 0.230 0.000 1.156 493 S CA -0.899 57.420 58.200 0.198 0.000 0.817 493 S CB 2.571 65.841 63.200 0.116 0.000 1.122 493 S HN 0.417 nan 8.310 nan 0.000 0.466 494 M N 0.258 119.997 119.600 0.231 0.000 2.569 494 M HA 0.852 5.333 4.480 0.001 0.000 0.279 494 M C -1.420 174.958 176.300 0.130 0.000 1.253 494 M CA -0.484 54.941 55.300 0.208 0.000 0.867 494 M CB 2.040 34.802 32.600 0.271 0.000 1.727 494 M HN 1.215 nan 8.290 nan 0.000 0.467 495 S N 0.708 116.459 115.700 0.084 0.000 2.607 495 S HA 0.894 5.364 4.470 0.001 0.000 0.273 495 S C -0.942 173.656 174.600 -0.004 0.000 1.148 495 S CA -0.373 57.853 58.200 0.043 0.000 0.833 495 S CB 1.724 64.936 63.200 0.020 0.000 1.130 495 S HN 1.621 nan 8.310 nan 0.000 0.470 496 V N -0.660 119.241 119.914 -0.022 0.000 2.735 496 V HA 0.744 4.864 4.120 0.001 0.000 0.310 496 V C -1.324 174.641 176.094 -0.214 0.000 1.061 496 V CA -0.916 61.332 62.300 -0.086 0.000 0.913 496 V CB 1.205 33.034 31.823 0.011 0.000 1.005 496 V HN 1.008 nan 8.190 nan 0.000 0.428 497 Y N 3.628 123.574 120.300 -0.590 0.000 2.326 497 Y HA 0.755 5.305 4.550 0.001 0.000 0.337 497 Y C -0.058 175.527 175.900 -0.526 0.000 1.023 497 Y CA -0.584 57.097 58.100 -0.699 0.000 1.143 497 Y CB 0.990 38.698 38.460 -1.253 0.000 1.183 497 Y HN 1.027 nan 8.280 nan 0.000 0.485 498 C N 3.295 122.317 119.300 -0.464 0.000 2.971 498 C HA 0.880 5.340 4.460 0.001 0.000 0.310 498 C C -0.620 174.224 174.990 -0.244 0.000 1.285 498 C CA -0.832 58.058 59.018 -0.213 0.000 1.593 498 C CB 1.342 29.047 27.740 -0.058 0.000 2.076 498 C HN 0.902 nan 8.230 nan 0.000 0.472 499 S N 0.569 116.229 115.700 -0.067 0.000 2.556 499 S HA 0.744 5.214 4.470 0.001 0.000 0.271 499 S C -3.364 171.234 174.600 -0.003 0.000 1.135 499 S CA -1.014 57.158 58.200 -0.046 0.000 0.858 499 S CB 1.668 64.882 63.200 0.022 0.000 1.114 499 S HN 0.622 nan 8.310 nan 0.000 0.468 500 P HA 0.194 nan 4.420 nan 0.000 0.266 500 P C 0.212 177.515 177.300 0.005 0.000 1.195 500 P CA -0.070 63.032 63.100 0.004 0.000 0.768 500 P CB 0.700 32.399 31.700 -0.003 0.000 0.838 501 A N 3.026 125.846 122.820 -0.001 0.000 2.308 501 A HA 0.135 4.456 4.320 0.001 0.000 0.217 501 A C 0.612 178.189 177.584 -0.013 0.000 1.216 501 A CA 0.645 52.680 52.037 -0.003 0.000 0.864 501 A CB -0.065 18.931 19.000 -0.006 0.000 0.902 501 A HN 0.359 nan 8.150 nan 0.000 0.499 502 K N -0.499 119.891 120.400 -0.017 0.000 2.501 502 K HA 0.242 4.563 4.320 0.001 0.000 0.252 502 K C 0.643 177.233 176.600 -0.017 0.000 0.934 502 K CA 0.344 56.618 56.287 -0.022 0.000 0.797 502 K CB 1.778 34.255 32.500 -0.038 0.000 1.270 502 K HN 0.183 nan 8.250 nan 0.000 0.431 503 S N -0.233 115.458 115.700 -0.014 0.000 2.469 503 S HA -0.167 4.303 4.470 0.001 0.000 0.238 503 S C 1.564 176.156 174.600 -0.013 0.000 0.998 503 S CA 1.672 59.865 58.200 -0.011 0.000 0.957 503 S CB -0.243 62.951 63.200 -0.009 0.000 0.764 503 S HN 0.622 nan 8.310 nan 0.000 0.514 504 S N 1.498 117.186 115.700 -0.019 0.000 2.474 504 S HA 0.076 4.547 4.470 0.001 0.000 0.235 504 S C 1.526 176.116 174.600 -0.017 0.000 0.997 504 S CA 0.125 58.313 58.200 -0.020 0.000 0.949 504 S CB -0.289 62.892 63.200 -0.031 0.000 0.766 504 S HN 0.451 nan 8.310 nan 0.000 0.517 505 R N 0.330 120.820 120.500 -0.016 0.000 2.577 505 R HA 0.482 4.823 4.340 0.001 0.000 0.344 505 R C 1.823 178.120 176.300 -0.005 0.000 1.037 505 R CA 0.536 56.631 56.100 -0.007 0.000 1.102 505 R CB -0.569 29.727 30.300 -0.007 0.000 1.313 505 R HN 0.478 nan 8.270 nan 0.000 0.561 506 A N 1.380 124.195 122.820 -0.007 0.000 1.997 506 A HA -0.218 4.102 4.320 0.001 0.000 0.221 506 A C 2.268 179.846 177.584 -0.009 0.000 1.172 506 A CA 2.039 54.071 52.037 -0.008 0.000 0.645 506 A CB -0.285 18.711 19.000 -0.007 0.000 0.813 506 A HN 0.326 nan 8.150 nan 0.000 0.454 507 A N -0.713 122.103 122.820 -0.007 0.000 1.978 507 A HA -0.007 4.313 4.320 0.001 0.000 0.220 507 A C 2.172 179.748 177.584 -0.013 0.000 1.170 507 A CA 1.785 53.817 52.037 -0.008 0.000 0.636 507 A CB -0.783 18.215 19.000 -0.003 0.000 0.810 507 A HN 0.453 nan 8.150 nan 0.000 0.448 508 V N -0.681 119.228 119.914 -0.008 0.000 2.427 508 V HA 0.105 4.226 4.120 0.001 0.000 0.248 508 V C 1.947 178.014 176.094 -0.045 0.000 1.051 508 V CA 0.964 63.258 62.300 -0.011 0.000 1.048 508 V CB -2.013 29.822 31.823 0.019 0.000 0.666 508 V HN 1.068 nan 8.190 nan 0.000 0.456 509 G N 0.846 109.620 108.800 -0.042 0.000 2.622 509 G HA2 -0.293 3.668 3.960 0.001 0.000 0.272 509 G HA3 -0.293 3.668 3.960 0.001 0.000 0.272 509 G C -0.180 174.648 174.900 -0.120 0.000 1.308 509 G CA 0.054 45.117 45.100 -0.061 0.000 0.919 509 G HN 0.498 nan 8.290 nan 0.000 0.565 510 N N 1.708 120.316 118.700 -0.153 0.000 2.483 510 N HA 0.350 5.090 4.740 0.001 0.000 0.264 510 N C 0.181 175.414 175.510 -0.462 0.000 1.197 510 N CA 0.497 53.353 53.050 -0.322 0.000 0.927 510 N CB 0.964 39.298 38.487 -0.255 0.000 1.065 510 N HN 0.468 nan 8.380 nan 0.000 0.461 511 K N 1.873 121.863 120.400 -0.683 0.000 2.477 511 K HA 0.452 4.773 4.320 0.001 0.000 0.255 511 K C -0.501 175.478 176.600 -1.035 0.000 0.952 511 K CA -0.500 55.323 56.287 -0.773 0.000 0.826 511 K CB 2.390 34.410 32.500 -0.799 0.000 1.331 511 K HN 0.432 nan 8.250 nan 0.000 0.437 512 M N 2.162 121.259 119.600 -0.837 0.000 2.243 512 M HA 0.416 4.897 4.480 0.001 0.000 0.324 512 M C -1.225 174.721 176.300 -0.589 0.000 1.031 512 M CA -0.755 54.163 55.300 -0.636 0.000 0.949 512 M CB 0.934 33.350 32.600 -0.306 0.000 1.615 512 M HN 0.315 nan 8.290 nan 0.000 0.430 513 F N 3.010 122.891 119.950 -0.114 0.000 2.411 513 F HA 0.597 5.124 4.527 0.001 0.000 0.352 513 F C -0.148 175.623 175.800 -0.049 0.000 1.123 513 F CA -0.960 56.992 58.000 -0.080 0.000 1.044 513 F CB 1.099 40.050 39.000 -0.082 0.000 1.135 513 F HN 0.129 nan 8.300 nan 0.000 0.461 514 V N 3.544 123.547 119.914 0.148 0.000 2.628 514 V HA 0.679 4.799 4.120 0.001 0.000 0.306 514 V C -0.580 175.560 176.094 0.077 0.000 1.045 514 V CA -1.147 61.210 62.300 0.096 0.000 0.905 514 V CB 2.091 33.960 31.823 0.077 0.000 0.997 514 V HN 0.757 nan 8.190 nan 0.000 0.436 515 K N 2.035 122.486 120.400 0.084 0.000 2.527 515 K HA 0.932 5.252 4.320 0.001 0.000 0.260 515 K C -0.453 176.214 176.600 0.112 0.000 0.937 515 K CA -0.450 55.879 56.287 0.070 0.000 0.826 515 K CB 2.655 35.184 32.500 0.049 0.000 1.359 515 K HN 1.154 nan 8.250 nan 0.000 0.434 516 G N 0.319 109.184 108.800 0.109 0.000 2.317 516 G HA2 0.438 4.399 3.960 0.001 0.000 0.293 516 G HA3 0.438 4.399 3.960 0.001 0.000 0.293 516 G C -1.468 173.510 174.900 0.131 0.000 1.287 516 G CA -0.580 44.611 45.100 0.153 0.000 0.850 516 G HN 0.794 nan 8.290 nan 0.000 0.515 517 A N 0.657 123.568 122.820 0.151 0.000 2.566 517 A HA 0.502 4.823 4.320 0.001 0.000 0.245 517 A C -0.619 177.026 177.584 0.102 0.000 1.056 517 A CA 0.657 52.767 52.037 0.122 0.000 0.757 517 A CB -0.147 18.927 19.000 0.124 0.000 0.979 517 A HN 0.371 nan 8.150 nan 0.000 0.508 518 P HA -0.239 nan 4.420 nan 0.000 0.215 518 P C 1.500 178.843 177.300 0.073 0.000 1.163 518 P CA 1.679 64.835 63.100 0.092 0.000 0.894 518 P CB 0.147 31.895 31.700 0.079 0.000 0.791 519 E N -0.612 119.620 120.200 0.054 0.000 2.048 519 E HA -0.221 4.129 4.350 0.001 0.000 0.202 519 E C 2.215 178.837 176.600 0.037 0.000 1.021 519 E CA 1.909 58.330 56.400 0.034 0.000 0.825 519 E CB -1.135 28.582 29.700 0.030 0.000 0.756 519 E HN 0.158 nan 8.360 nan 0.000 0.454 520 G N 0.295 109.122 108.800 0.045 0.000 2.446 520 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 520 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 520 G C 1.684 176.617 174.900 0.054 0.000 1.168 520 G CA 1.118 46.243 45.100 0.041 0.000 0.771 520 G HN 0.271 nan 8.290 nan 0.000 0.551 521 V N 1.240 121.200 119.914 0.077 0.000 2.261 521 V HA -0.167 3.953 4.120 0.001 0.000 0.246 521 V C 2.812 178.972 176.094 0.110 0.000 1.047 521 V CA 1.712 64.072 62.300 0.099 0.000 1.015 521 V CB -0.469 31.427 31.823 0.122 0.000 0.642 521 V HN 0.397 nan 8.190 nan 0.000 0.446 522 I N 0.233 120.867 120.570 0.107 0.000 2.208 522 I HA -0.277 3.894 4.170 0.001 0.000 0.245 522 I C 2.234 178.369 176.117 0.030 0.000 1.097 522 I CA 1.698 63.041 61.300 0.072 0.000 1.363 522 I CB -0.549 37.446 38.000 -0.009 0.000 1.051 522 I HN 0.329 nan 8.210 nan 0.000 0.413 523 D N 0.726 121.139 120.400 0.021 0.000 2.218 523 D HA -0.129 4.512 4.640 0.001 0.000 0.204 523 D C 1.947 178.255 176.300 0.014 0.000 0.976 523 D CA 1.051 55.055 54.000 0.006 0.000 0.853 523 D CB -0.163 40.640 40.800 0.004 0.000 0.939 523 D HN 0.327 nan 8.370 nan 0.000 0.481 524 R N -0.518 120.004 120.500 0.037 0.000 2.356 524 R HA 0.174 4.515 4.340 0.001 0.000 0.234 524 R C -0.096 176.238 176.300 0.056 0.000 0.929 524 R CA -0.165 55.960 56.100 0.042 0.000 1.084 524 R CB 0.148 30.479 30.300 0.052 0.000 1.105 524 R HN 0.080 nan 8.270 nan 0.000 0.515 525 C N 0.783 120.118 119.300 0.058 0.000 2.341 525 C HA 0.312 4.772 4.460 0.001 0.000 0.338 525 C C 1.116 176.102 174.990 -0.007 0.000 1.257 525 C CA -0.782 58.283 59.018 0.079 0.000 1.883 525 C CB 1.102 28.930 27.740 0.146 0.000 2.334 525 C HN 0.463 nan 8.230 nan 0.000 0.524 526 N N 0.089 118.747 118.700 -0.071 0.000 2.181 526 N HA 0.190 4.931 4.740 0.001 0.000 0.207 526 N C -0.821 174.355 175.510 -0.557 0.000 1.182 526 N CA 0.370 53.217 53.050 -0.338 0.000 0.893 526 N CB 0.474 38.663 38.487 -0.496 0.000 1.032 526 N HN 0.716 nan 8.380 nan 0.000 0.513 527 Y N -0.699 119.639 120.300 0.063 0.000 2.638 527 Y HA 0.580 5.131 4.550 0.001 0.000 0.339 527 Y C -0.103 175.865 175.900 0.114 0.000 1.084 527 Y CA -1.445 56.697 58.100 0.070 0.000 1.068 527 Y CB 1.545 40.041 38.460 0.061 0.000 1.294 527 Y HN -0.254 nan 8.280 nan 0.000 0.480 528 V N -0.820 119.275 119.914 0.302 0.000 2.841 528 V HA 0.736 4.856 4.120 0.001 0.000 0.310 528 V C -1.005 175.221 176.094 0.219 0.000 1.090 528 V CA -1.188 61.283 62.300 0.285 0.000 0.930 528 V CB 1.889 33.855 31.823 0.238 0.000 1.014 528 V HN 0.805 nan 8.190 nan 0.000 0.425 529 R N 2.488 123.105 120.500 0.194 0.000 2.459 529 R HA 0.797 5.138 4.340 0.001 0.000 0.281 529 R C -1.190 175.190 176.300 0.132 0.000 1.050 529 R CA -0.259 55.915 56.100 0.123 0.000 1.055 529 R CB 1.694 32.037 30.300 0.072 0.000 1.045 529 R HN 0.790 nan 8.270 nan 0.000 0.495 530 V N 5.394 125.372 119.914 0.106 0.000 2.516 530 V HA 0.433 4.553 4.120 0.001 0.000 0.271 530 V C 0.737 176.888 176.094 0.095 0.000 0.992 530 V CA 0.237 62.603 62.300 0.109 0.000 0.857 530 V CB 0.497 32.379 31.823 0.098 0.000 1.047 530 V HN 1.143 nan 8.190 nan 0.000 0.455 531 G N 4.891 113.754 108.800 0.105 0.000 2.609 531 G HA2 -0.321 3.639 3.960 0.001 0.000 0.288 531 G HA3 -0.321 3.639 3.960 0.001 0.000 0.288 531 G C 0.878 175.814 174.900 0.061 0.000 1.211 531 G CA 1.051 46.205 45.100 0.090 0.000 0.963 531 G HN 1.334 nan 8.290 nan 0.000 0.541 532 T N -1.046 113.536 114.554 0.047 0.000 3.040 532 T HA 0.505 4.855 4.350 0.001 0.000 0.266 532 T C 1.136 175.852 174.700 0.027 0.000 1.005 532 T CA 1.487 63.606 62.100 0.033 0.000 0.906 532 T CB 0.124 69.007 68.868 0.026 0.000 1.082 532 T HN 1.696 nan 8.240 nan 0.000 0.531 533 T N 0.045 114.621 114.554 0.037 0.000 2.849 533 T HA 0.611 4.961 4.350 0.001 0.000 0.276 533 T C -0.325 174.397 174.700 0.037 0.000 0.971 533 T CA -0.960 61.159 62.100 0.032 0.000 0.949 533 T CB 1.803 70.696 68.868 0.041 0.000 1.093 533 T HN 0.384 nan 8.240 nan 0.000 0.545 534 R N 0.259 120.778 120.500 0.032 0.000 2.535 534 R HA 0.569 4.910 4.340 0.001 0.000 0.274 534 R C -1.596 174.756 176.300 0.087 0.000 1.090 534 R CA -0.721 55.407 56.100 0.047 0.000 0.930 534 R CB 1.998 32.274 30.300 -0.041 0.000 1.223 534 R HN 0.834 nan 8.270 nan 0.000 0.441 535 V N 0.636 120.640 119.914 0.150 0.000 3.074 535 V HA 0.764 4.884 4.120 0.001 0.000 0.314 535 V C -2.649 173.594 176.094 0.249 0.000 1.117 535 V CA -2.377 60.024 62.300 0.168 0.000 1.014 535 V CB 1.973 33.862 31.823 0.109 0.000 1.057 535 V HN 0.677 nan 8.190 nan 0.000 0.438 536 P HA 0.254 nan 4.420 nan 0.000 0.274 536 P C -0.692 176.616 177.300 0.012 0.000 1.237 536 P CA -0.360 62.786 63.100 0.078 0.000 0.793 536 P CB 0.748 32.455 31.700 0.011 0.000 0.977 537 M N 2.843 122.401 119.600 -0.070 0.000 2.146 537 M HA 0.236 4.717 4.480 0.001 0.000 0.352 537 M C -0.100 176.162 176.300 -0.063 0.000 1.343 537 M CA 0.487 55.754 55.300 -0.055 0.000 1.115 537 M CB -0.382 32.174 32.600 -0.073 0.000 1.657 537 M HN 0.450 nan 8.290 nan 0.000 0.471 538 T N 1.496 116.020 114.554 -0.050 0.000 2.940 538 T HA 0.715 5.065 4.350 0.001 0.000 0.288 538 T C 1.015 175.680 174.700 -0.057 0.000 1.045 538 T CA -0.501 61.571 62.100 -0.047 0.000 1.018 538 T CB 1.209 70.059 68.868 -0.029 0.000 1.151 538 T HN 0.669 nan 8.240 nan 0.000 0.529 539 G N 0.824 109.595 108.800 -0.049 0.000 2.459 539 G HA2 -0.068 3.892 3.960 0.001 0.000 0.217 539 G HA3 -0.068 3.892 3.960 0.001 0.000 0.217 539 G C -0.945 173.917 174.900 -0.062 0.000 1.183 539 G CA 0.837 45.906 45.100 -0.052 0.000 0.776 539 G HN 0.642 nan 8.290 nan 0.000 0.552 540 P HA -0.052 nan 4.420 nan 0.000 0.215 540 P C 2.172 179.413 177.300 -0.099 0.000 1.153 540 P CA 0.934 63.995 63.100 -0.065 0.000 0.853 540 P CB -0.118 31.557 31.700 -0.042 0.000 0.788 541 V N 0.220 120.075 119.914 -0.098 0.000 2.343 541 V HA -0.266 3.854 4.120 0.001 0.000 0.247 541 V C 2.498 178.493 176.094 -0.165 0.000 1.051 541 V CA 1.937 64.160 62.300 -0.128 0.000 1.036 541 V CB -1.007 30.761 31.823 -0.093 0.000 0.654 541 V HN 0.139 nan 8.190 nan 0.000 0.451 542 K N -0.055 120.258 120.400 -0.145 0.000 2.002 542 K HA -0.211 4.109 4.320 0.001 0.000 0.209 542 K C 2.177 178.684 176.600 -0.155 0.000 1.048 542 K CA 1.663 57.852 56.287 -0.163 0.000 0.930 542 K CB -0.123 32.306 32.500 -0.119 0.000 0.714 542 K HN 0.355 nan 8.250 nan 0.000 0.438 543 E N 0.971 121.098 120.200 -0.122 0.000 2.153 543 E HA -0.189 4.161 4.350 0.001 0.000 0.194 543 E C 1.848 178.365 176.600 -0.140 0.000 0.988 543 E CA 0.841 57.174 56.400 -0.111 0.000 0.811 543 E CB -0.111 29.538 29.700 -0.085 0.000 0.746 543 E HN 0.193 nan 8.360 nan 0.000 0.466 544 K N 0.873 121.172 120.400 -0.168 0.000 2.025 544 K HA -0.073 4.247 4.320 0.001 0.000 0.207 544 K C 1.999 178.443 176.600 -0.259 0.000 1.049 544 K CA 0.566 56.725 56.287 -0.213 0.000 0.933 544 K CB -0.268 32.087 32.500 -0.240 0.000 0.714 544 K HN 0.084 nan 8.250 nan 0.000 0.438 545 I N 1.577 121.996 120.570 -0.252 0.000 2.127 545 I HA -0.278 3.892 4.170 0.001 0.000 0.241 545 I C 2.458 178.487 176.117 -0.146 0.000 1.075 545 I CA 1.157 62.324 61.300 -0.222 0.000 1.334 545 I CB -1.180 36.591 38.000 -0.382 0.000 1.040 545 I HN 0.111 nan 8.210 nan 0.000 0.405 546 L N 0.728 121.862 121.223 -0.148 0.000 2.083 546 L HA -0.199 4.142 4.340 0.001 0.000 0.209 546 L C 2.802 179.611 176.870 -0.101 0.000 1.083 546 L CA 1.602 56.382 54.840 -0.099 0.000 0.752 546 L CB -0.657 41.351 42.059 -0.085 0.000 0.899 546 L HN 0.350 nan 8.230 nan 0.000 0.433 547 S N -0.681 114.942 115.700 -0.128 0.000 2.382 547 S HA -0.130 4.340 4.470 0.001 0.000 0.228 547 S C 1.885 176.393 174.600 -0.153 0.000 1.027 547 S CA 1.203 59.331 58.200 -0.119 0.000 0.991 547 S CB -0.679 62.449 63.200 -0.120 0.000 0.823 547 S HN 0.172 nan 8.310 nan 0.000 0.469 548 V N 1.797 121.556 119.914 -0.257 0.000 2.453 548 V HA 0.003 4.123 4.120 0.001 0.000 0.247 548 V C 2.443 178.291 176.094 -0.411 0.000 1.048 548 V CA 1.477 63.535 62.300 -0.403 0.000 1.049 548 V CB -0.683 30.710 31.823 -0.717 0.000 0.672 548 V HN 0.479 nan 8.190 nan 0.000 0.457 549 I N 0.013 120.448 120.570 -0.225 0.000 2.286 549 I HA -0.267 3.904 4.170 0.001 0.000 0.248 549 I C 2.587 178.710 176.117 0.009 0.000 1.115 549 I CA 1.680 62.928 61.300 -0.087 0.000 1.392 549 I CB -0.344 37.657 38.000 0.002 0.000 1.065 549 I HN 0.276 nan 8.210 nan 0.000 0.418 550 K N 1.188 121.580 120.400 -0.013 0.000 2.057 550 K HA -0.207 4.113 4.320 0.001 0.000 0.207 550 K C 1.880 178.522 176.600 0.070 0.000 1.049 550 K CA 1.573 57.876 56.287 0.026 0.000 0.931 550 K CB 0.021 32.520 32.500 -0.000 0.000 0.714 550 K HN 0.380 nan 8.250 nan 0.000 0.440 551 E N -0.487 119.755 120.200 0.070 0.000 2.072 551 E HA -0.193 4.157 4.350 0.001 0.000 0.191 551 E C 1.837 178.617 176.600 0.300 0.000 0.985 551 E CA 1.149 57.640 56.400 0.151 0.000 0.801 551 E CB -0.185 29.607 29.700 0.153 0.000 0.750 551 E HN 0.415 nan 8.360 nan 0.000 0.452 552 W N 0.691 122.018 121.300 0.046 0.000 2.374 552 W HA -0.002 4.658 4.660 0.001 0.000 0.288 552 W C 2.265 178.809 176.519 0.042 0.000 1.218 552 W CA 1.173 58.550 57.345 0.053 0.000 1.245 552 W CB -0.880 28.635 29.460 0.091 0.000 1.126 552 W HN 0.081 nan 8.180 nan 0.000 0.545 553 G N -1.383 107.578 108.800 0.267 0.000 3.088 553 G HA2 0.110 4.070 3.960 0.001 0.000 0.212 553 G HA3 0.110 4.070 3.960 0.001 0.000 0.212 553 G C 0.536 175.499 174.900 0.104 0.000 1.173 553 G CA 1.154 46.351 45.100 0.161 0.000 0.779 553 G HN 0.208 nan 8.290 nan 0.000 0.540 554 T N -4.828 109.785 114.554 0.098 0.000 4.048 554 T HA 0.430 4.781 4.350 0.001 0.000 0.321 554 T C 0.787 175.515 174.700 0.047 0.000 0.890 554 T CA 0.501 62.637 62.100 0.060 0.000 0.950 554 T CB 0.222 69.118 68.868 0.047 0.000 1.150 554 T HN 0.281 nan 8.240 nan 0.000 0.557 555 G N 1.342 110.175 108.800 0.056 0.000 3.414 555 G HA2 0.421 4.381 3.960 0.001 0.000 0.189 555 G HA3 0.421 4.381 3.960 0.001 0.000 0.189 555 G C 0.746 175.659 174.900 0.021 0.000 1.329 555 G CA -0.576 44.546 45.100 0.037 0.000 0.851 555 G HN 0.109 nan 8.290 nan 0.000 0.671 556 R N 0.627 121.134 120.500 0.012 0.000 2.189 556 R HA 0.032 4.372 4.340 0.001 0.000 0.218 556 R C 1.696 177.984 176.300 -0.019 0.000 1.074 556 R CA 0.854 56.952 56.100 -0.004 0.000 0.991 556 R CB -0.352 29.941 30.300 -0.012 0.000 0.883 556 R HN 0.439 nan 8.270 nan 0.000 0.457 557 D N 0.195 120.584 120.400 -0.017 0.000 2.113 557 D HA -0.055 4.586 4.640 0.001 0.000 0.206 557 D C 0.183 176.476 176.300 -0.011 0.000 0.979 557 D CA 1.139 55.110 54.000 -0.047 0.000 0.862 557 D CB -0.205 40.545 40.800 -0.083 0.000 1.013 557 D HN -0.003 nan 8.370 nan 0.000 0.455 558 T N 0.907 115.482 114.554 0.034 0.000 3.803 558 T HA -0.186 4.165 4.350 0.001 0.000 0.376 558 T C 0.248 174.972 174.700 0.039 0.000 0.761 558 T CA 0.114 62.241 62.100 0.044 0.000 1.962 558 T CB -1.761 67.122 68.868 0.025 0.000 1.780 558 T HN 0.103 nan 8.240 nan 0.000 0.771 559 L N -0.222 121.038 121.223 0.062 0.000 2.399 559 L HA 0.549 4.889 4.340 0.001 0.000 0.265 559 L C 1.061 177.985 176.870 0.090 0.000 1.089 559 L CA -1.031 53.843 54.840 0.056 0.000 0.802 559 L CB 0.774 42.859 42.059 0.043 0.000 1.180 559 L HN 0.151 nan 8.230 nan 0.000 0.454 560 R N 0.694 121.237 120.500 0.072 0.000 2.210 560 R HA 0.351 4.692 4.340 0.001 0.000 0.338 560 R C -1.337 175.025 176.300 0.103 0.000 1.062 560 R CA -0.374 55.771 56.100 0.076 0.000 0.902 560 R CB 0.354 30.685 30.300 0.051 0.000 1.050 560 R HN 0.628 nan 8.270 nan 0.000 0.461 561 C N 5.158 124.532 119.300 0.124 0.000 2.358 561 C HA 0.553 5.014 4.460 0.001 0.000 0.342 561 C C -0.831 174.218 174.990 0.099 0.000 1.234 561 C CA -0.852 58.251 59.018 0.142 0.000 1.969 561 C CB 0.800 28.648 27.740 0.180 0.000 2.346 561 C HN 0.599 nan 8.230 nan 0.000 0.525 562 L N 2.691 123.961 121.223 0.078 0.000 2.385 562 L HA 0.702 5.043 4.340 0.001 0.000 0.273 562 L C 0.255 177.139 176.870 0.024 0.000 0.990 562 L CA -0.236 54.637 54.840 0.055 0.000 0.821 562 L CB 1.440 43.523 42.059 0.039 0.000 1.279 562 L HN 0.859 nan 8.230 nan 0.000 0.412 563 A N 5.004 127.853 122.820 0.048 0.000 2.310 563 A HA 0.813 5.133 4.320 0.001 0.000 0.299 563 A C -0.893 176.670 177.584 -0.035 0.000 1.147 563 A CA -0.404 51.661 52.037 0.047 0.000 0.818 563 A CB 0.401 19.511 19.000 0.184 0.000 1.096 563 A HN 0.645 nan 8.150 nan 0.000 0.495 564 L N 1.483 122.590 121.223 -0.194 0.000 2.346 564 L HA 0.798 5.139 4.340 0.001 0.000 0.276 564 L C 0.256 176.974 176.870 -0.254 0.000 1.006 564 L CA -0.375 54.350 54.840 -0.192 0.000 0.817 564 L CB 1.792 43.715 42.059 -0.227 0.000 1.272 564 L HN 0.870 nan 8.230 nan 0.000 0.421 565 A N 1.467 124.236 122.820 -0.085 0.000 2.602 565 A HA 0.876 5.197 4.320 0.001 0.000 0.290 565 A C -0.805 176.821 177.584 0.070 0.000 1.114 565 A CA -0.463 51.554 52.037 -0.033 0.000 0.683 565 A CB 2.298 21.321 19.000 0.040 0.000 1.281 565 A HN 0.604 nan 8.150 nan 0.000 0.416 566 T N -0.619 113.982 114.554 0.078 0.000 2.952 566 T HA 0.578 4.929 4.350 0.001 0.000 0.305 566 T C -0.896 173.804 174.700 -0.000 0.000 1.064 566 T CA -0.600 61.542 62.100 0.071 0.000 1.008 566 T CB 1.353 70.335 68.868 0.189 0.000 1.078 566 T HN 0.752 nan 8.240 nan 0.000 0.459 567 R N 2.722 123.178 120.500 -0.074 0.000 2.216 567 R HA 0.189 4.529 4.340 0.001 0.000 0.332 567 R C 0.033 176.262 176.300 -0.120 0.000 1.056 567 R CA -0.381 55.687 56.100 -0.053 0.000 0.901 567 R CB 0.542 30.815 30.300 -0.044 0.000 1.039 567 R HN 0.721 nan 8.270 nan 0.000 0.456 568 D N 1.522 121.876 120.400 -0.077 0.000 2.178 568 D HA -0.057 4.584 4.640 0.001 0.000 0.202 568 D C -0.044 176.188 176.300 -0.114 0.000 0.974 568 D CA 1.508 55.442 54.000 -0.110 0.000 0.841 568 D CB 0.475 41.204 40.800 -0.119 0.000 0.953 568 D HN 0.414 nan 8.370 nan 0.000 0.478 569 T N 3.120 117.629 114.554 -0.075 0.000 3.327 569 T HA 0.250 4.601 4.350 0.001 0.000 0.373 569 T C -2.444 172.238 174.700 -0.030 0.000 1.589 569 T CA -1.235 60.833 62.100 -0.054 0.000 1.497 569 T CB 2.241 71.096 68.868 -0.022 0.000 1.032 569 T HN 0.017 nan 8.240 nan 0.000 0.640 570 P HA 0.378 nan 4.420 nan 0.000 0.274 570 P C -2.697 174.640 177.300 0.063 0.000 1.246 570 P CA -1.385 61.708 63.100 -0.012 0.000 0.795 570 P CB 0.025 31.654 31.700 -0.119 0.000 1.006 571 P HA 0.210 nan 4.420 nan 0.000 0.274 571 P C -0.328 177.025 177.300 0.088 0.000 1.260 571 P CA -0.104 63.032 63.100 0.059 0.000 0.793 571 P CB 0.232 31.924 31.700 -0.014 0.000 1.048 572 K N 0.694 121.114 120.400 0.034 0.000 2.326 572 K HA 0.119 4.439 4.320 0.001 0.000 0.275 572 K C 1.523 178.090 176.600 -0.054 0.000 1.018 572 K CA 0.324 56.626 56.287 0.025 0.000 0.962 572 K CB 0.144 32.644 32.500 -0.000 0.000 0.953 572 K HN 0.230 nan 8.250 nan 0.000 0.475 573 R N 1.683 122.127 120.500 -0.094 0.000 2.117 573 R HA -0.222 4.118 4.340 0.001 0.000 0.243 573 R C 1.031 177.185 176.300 -0.243 0.000 1.143 573 R CA 1.880 57.822 56.100 -0.262 0.000 0.968 573 R CB -0.115 30.036 30.300 -0.247 0.000 0.863 573 R HN 0.603 nan 8.270 nan 0.000 0.444 574 E N 0.504 120.615 120.200 -0.147 0.000 2.418 574 E HA -0.108 4.242 4.350 0.001 0.000 0.197 574 E C 0.782 177.320 176.600 -0.104 0.000 1.026 574 E CA 0.749 57.075 56.400 -0.122 0.000 0.862 574 E CB 0.109 29.765 29.700 -0.074 0.000 0.799 574 E HN 0.463 nan 8.360 nan 0.000 0.518 575 E N 0.070 120.204 120.200 -0.109 0.000 2.463 575 E HA 0.149 4.500 4.350 0.001 0.000 0.193 575 E C -0.203 176.317 176.600 -0.135 0.000 1.041 575 E CA 0.004 56.359 56.400 -0.074 0.000 0.879 575 E CB 0.160 29.838 29.700 -0.035 0.000 0.997 575 E HN 0.253 nan 8.360 nan 0.000 0.478 576 M N 1.556 121.009 119.600 -0.246 0.000 2.125 576 M HA 0.241 4.721 4.480 0.001 0.000 0.321 576 M C -0.612 175.633 176.300 -0.092 0.000 0.983 576 M CA -0.713 54.363 55.300 -0.373 0.000 0.934 576 M CB 2.442 34.656 32.600 -0.643 0.000 1.542 576 M HN -0.241 nan 8.290 nan 0.000 0.424 577 V N 5.498 125.517 119.914 0.175 0.000 2.326 577 V HA 0.046 4.167 4.120 0.001 0.000 0.249 577 V C 1.257 177.523 176.094 0.287 0.000 1.114 577 V CA 0.095 62.501 62.300 0.176 0.000 1.028 577 V CB -0.461 31.474 31.823 0.186 0.000 1.170 577 V HN 0.879 nan 8.190 nan 0.000 0.494 578 L N 2.916 124.223 121.223 0.140 0.000 2.456 578 L HA -0.058 4.283 4.340 0.001 0.000 0.224 578 L C 1.617 178.664 176.870 0.295 0.000 1.148 578 L CA 0.963 55.932 54.840 0.215 0.000 0.825 578 L CB -0.330 41.684 42.059 -0.075 0.000 0.937 578 L HN 0.783 nan 8.230 nan 0.000 0.450 579 D N -2.879 117.618 120.400 0.163 0.000 2.368 579 D HA -0.024 4.616 4.640 0.001 0.000 0.218 579 D C 0.232 176.547 176.300 0.026 0.000 1.112 579 D CA -0.162 53.896 54.000 0.097 0.000 0.834 579 D CB 0.114 40.942 40.800 0.045 0.000 0.953 579 D HN -0.012 nan 8.370 nan 0.000 0.505 580 D N 0.310 120.710 120.400 -0.001 0.000 2.404 580 D HA 0.076 4.717 4.640 0.001 0.000 0.267 580 D C 1.175 177.161 176.300 -0.525 0.000 1.194 580 D CA -0.368 53.538 54.000 -0.157 0.000 0.910 580 D CB 0.956 41.717 40.800 -0.065 0.000 1.090 580 D HN -0.025 nan 8.370 nan 0.000 0.511 581 S N 1.218 116.427 115.700 -0.817 0.000 2.420 581 S HA -0.265 4.205 4.470 0.001 0.000 0.237 581 S C 1.867 175.928 174.600 -0.898 0.000 1.023 581 S CA 1.443 58.734 58.200 -1.515 0.000 0.991 581 S CB -0.523 62.245 63.200 -0.721 0.000 0.792 581 S HN 0.388 nan 8.310 nan 0.000 0.488 582 S N 1.646 117.064 115.700 -0.469 0.000 2.500 582 S HA 0.039 4.509 4.470 0.001 0.000 0.239 582 S C 1.733 176.183 174.600 -0.249 0.000 0.989 582 S CA 0.129 58.161 58.200 -0.280 0.000 0.951 582 S CB -0.368 62.722 63.200 -0.183 0.000 0.759 582 S HN 0.504 nan 8.310 nan 0.000 0.523 583 R N 0.309 120.633 120.500 -0.292 0.000 2.223 583 R HA 0.307 4.647 4.340 0.001 0.000 0.198 583 R C 1.694 177.805 176.300 -0.316 0.000 0.984 583 R CA 0.298 56.230 56.100 -0.279 0.000 1.018 583 R CB -0.930 29.269 30.300 -0.169 0.000 0.945 583 R HN 0.591 nan 8.270 nan 0.000 0.479 584 F N 1.062 120.879 119.950 -0.222 0.000 2.192 584 F HA -0.231 4.297 4.527 0.001 0.000 0.301 584 F C 2.586 178.322 175.800 -0.106 0.000 1.079 584 F CA 0.624 58.575 58.000 -0.083 0.000 1.303 584 F CB -0.329 38.700 39.000 0.049 0.000 1.024 584 F HN 0.014 nan 8.300 nan 0.000 0.494 585 M N 0.821 120.448 119.600 0.045 0.000 2.080 585 M HA -0.266 4.214 4.480 0.001 0.000 0.260 585 M C 2.320 178.612 176.300 -0.013 0.000 1.068 585 M CA 1.957 57.264 55.300 0.012 0.000 1.109 585 M CB -0.356 32.227 32.600 -0.028 0.000 1.342 585 M HN 0.177 nan 8.290 nan 0.000 0.405 586 E N -0.573 119.558 120.200 -0.116 0.000 2.118 586 E HA -0.239 4.112 4.350 0.001 0.000 0.195 586 E C 1.513 178.128 176.600 0.026 0.000 0.992 586 E CA 1.522 57.863 56.400 -0.098 0.000 0.804 586 E CB -0.217 29.364 29.700 -0.198 0.000 0.741 586 E HN 0.624 nan 8.360 nan 0.000 0.458 587 Y N 0.930 121.295 120.300 0.108 0.000 2.439 587 Y HA 0.058 4.608 4.550 0.001 0.000 0.292 587 Y C 0.896 176.838 175.900 0.071 0.000 1.130 587 Y CA 0.656 58.813 58.100 0.095 0.000 1.254 587 Y CB -0.014 38.511 38.460 0.108 0.000 1.000 587 Y HN 0.074 nan 8.280 nan 0.000 0.554 588 E N 0.872 121.188 120.200 0.193 0.000 2.364 588 E HA 0.139 4.489 4.350 0.001 0.000 0.270 588 E C 0.107 176.765 176.600 0.098 0.000 1.398 588 E CA -0.139 56.337 56.400 0.128 0.000 1.721 588 E CB -0.097 29.669 29.700 0.111 0.000 1.525 588 E HN 0.265 nan 8.360 nan 0.000 0.446 589 T N -3.117 111.499 114.554 0.103 0.000 2.910 589 T HA 0.268 4.619 4.350 0.001 0.000 0.287 589 T C 0.247 175.003 174.700 0.093 0.000 1.050 589 T CA -0.844 61.305 62.100 0.083 0.000 1.011 589 T CB 1.412 70.322 68.868 0.068 0.000 1.195 589 T HN 0.019 nan 8.240 nan 0.000 0.540 590 D N -0.236 120.215 120.400 0.084 0.000 2.708 590 D HA -0.136 4.505 4.640 0.001 0.000 0.236 590 D C -0.392 176.010 176.300 0.170 0.000 1.146 590 D CA 0.449 54.518 54.000 0.114 0.000 0.662 590 D CB -1.571 39.307 40.800 0.129 0.000 1.059 590 D HN 0.623 nan 8.370 nan 0.000 0.428 591 L N -0.637 120.671 121.223 0.143 0.000 2.456 591 L HA 0.441 4.782 4.340 0.001 0.000 0.257 591 L C 1.104 178.113 176.870 0.231 0.000 1.162 591 L CA -0.337 54.597 54.840 0.156 0.000 0.808 591 L CB 1.067 43.199 42.059 0.122 0.000 1.136 591 L HN -0.054 nan 8.230 nan 0.000 0.466 592 T N 1.274 115.949 114.554 0.202 0.000 2.772 592 T HA 0.280 4.631 4.350 0.001 0.000 0.288 592 T C -0.491 174.322 174.700 0.189 0.000 0.994 592 T CA -0.307 61.934 62.100 0.235 0.000 0.951 592 T CB 0.435 69.392 68.868 0.147 0.000 0.933 592 T HN 0.246 nan 8.240 nan 0.000 0.447 593 F N 4.490 124.497 119.950 0.094 0.000 2.543 593 F HA 0.255 4.783 4.527 0.001 0.000 0.375 593 F C 0.797 176.629 175.800 0.053 0.000 1.075 593 F CA 0.165 58.201 58.000 0.059 0.000 1.225 593 F CB 0.533 39.563 39.000 0.050 0.000 1.099 593 F HN 0.345 nan 8.300 nan 0.000 0.561 594 V N 4.819 124.258 119.914 -0.792 0.000 2.743 594 V HA 0.477 4.598 4.120 0.001 0.000 0.237 594 V C 1.087 176.717 176.094 -0.774 0.000 1.113 594 V CA 0.790 62.768 62.300 -0.536 0.000 1.141 594 V CB -0.126 31.514 31.823 -0.305 0.000 0.873 594 V HN 1.024 nan 8.190 nan 0.000 0.486 595 G N -0.903 107.195 108.800 -1.170 0.000 2.489 595 G HA2 0.533 4.493 3.960 0.001 0.000 0.305 595 G HA3 0.533 4.493 3.960 0.001 0.000 0.305 595 G C -2.210 172.275 174.900 -0.692 0.000 1.311 595 G CA -0.157 44.457 45.100 -0.810 0.000 0.813 595 G HN -0.002 nan 8.290 nan 0.000 0.480 596 V N -0.003 119.508 119.914 -0.671 0.000 2.841 596 V HA 0.725 4.845 4.120 0.001 0.000 0.310 596 V C -0.165 175.816 176.094 -0.187 0.000 1.090 596 V CA -0.627 61.393 62.300 -0.467 0.000 0.930 596 V CB 1.724 33.108 31.823 -0.732 0.000 1.014 596 V HN 1.349 nan 8.190 nan 0.000 0.425 597 V N 0.915 120.817 119.914 -0.020 0.000 2.680 597 V HA 1.057 5.177 4.120 0.001 0.000 0.309 597 V C 0.152 176.350 176.094 0.172 0.000 1.052 597 V CA -0.461 61.892 62.300 0.088 0.000 0.908 597 V CB 1.703 33.535 31.823 0.014 0.000 1.001 597 V HN 1.030 nan 8.190 nan 0.000 0.431 598 G N 4.974 113.891 108.800 0.194 0.000 2.544 598 G HA2 0.717 4.677 3.960 0.001 0.000 0.313 598 G HA3 0.717 4.677 3.960 0.001 0.000 0.313 598 G C -0.780 174.138 174.900 0.029 0.000 1.316 598 G CA -0.839 44.354 45.100 0.156 0.000 0.944 598 G HN 1.229 nan 8.290 nan 0.000 0.489 599 M N 1.923 121.542 119.600 0.032 0.000 2.658 599 M HA 0.918 5.398 4.480 0.001 0.000 0.295 599 M C -1.158 175.141 176.300 -0.002 0.000 1.248 599 M CA -1.084 54.218 55.300 0.003 0.000 0.843 599 M CB 2.687 35.298 32.600 0.019 0.000 1.749 599 M HN 0.607 nan 8.290 nan 0.000 0.464 600 L N -0.806 120.405 121.223 -0.020 0.000 2.838 600 L HA 0.690 5.030 4.340 0.001 0.000 0.266 600 L C -1.921 174.927 176.870 -0.036 0.000 1.040 600 L CA -0.863 53.963 54.840 -0.023 0.000 0.906 600 L CB 2.183 44.221 42.059 -0.035 0.000 1.501 600 L HN 0.802 nan 8.230 nan 0.000 0.407 601 D N 3.223 123.601 120.400 -0.035 0.000 2.411 601 D HA 0.402 5.042 4.640 0.001 0.000 0.225 601 D C -2.349 173.914 176.300 -0.062 0.000 1.156 601 D CA -1.718 52.252 54.000 -0.051 0.000 0.874 601 D CB 1.011 41.791 40.800 -0.034 0.000 1.034 601 D HN 0.439 nan 8.370 nan 0.000 0.502 602 P HA 0.215 nan 4.420 nan 0.000 0.271 602 P C -2.652 174.599 177.300 -0.082 0.000 1.216 602 P CA -1.335 61.718 63.100 -0.079 0.000 0.776 602 P CB 0.662 32.311 31.700 -0.084 0.000 0.881 603 P HA 0.167 nan 4.420 nan 0.000 0.272 603 P C 0.018 177.263 177.300 -0.091 0.000 1.223 603 P CA -0.047 62.993 63.100 -0.101 0.000 0.784 603 P CB 0.806 32.439 31.700 -0.112 0.000 0.923 604 R N 1.401 121.843 120.500 -0.096 0.000 2.641 604 R HA 0.046 4.386 4.340 0.001 0.000 0.269 604 R C 2.049 178.311 176.300 -0.063 0.000 1.074 604 R CA -0.310 55.750 56.100 -0.066 0.000 1.133 604 R CB 0.379 30.653 30.300 -0.044 0.000 1.029 604 R HN 0.526 nan 8.270 nan 0.000 0.488 605 K N 1.990 122.367 120.400 -0.038 0.000 2.020 605 K HA -0.215 4.106 4.320 0.001 0.000 0.212 605 K C 1.022 177.608 176.600 -0.023 0.000 1.050 605 K CA 1.764 58.033 56.287 -0.029 0.000 0.929 605 K CB -0.100 32.392 32.500 -0.015 0.000 0.714 605 K HN 0.616 nan 8.250 nan 0.000 0.443 606 E N 1.813 122.012 120.200 -0.002 0.000 2.494 606 E HA -0.022 4.329 4.350 0.001 0.000 0.193 606 E C 1.766 178.376 176.600 0.017 0.000 1.074 606 E CA 0.334 56.746 56.400 0.021 0.000 0.867 606 E CB -0.098 29.635 29.700 0.054 0.000 0.924 606 E HN 0.257 nan 8.360 nan 0.000 0.502 607 V N 1.327 121.202 119.914 -0.065 0.000 2.323 607 V HA -0.226 3.894 4.120 0.001 0.000 0.244 607 V C 2.650 178.658 176.094 -0.143 0.000 1.041 607 V CA 1.905 64.085 62.300 -0.199 0.000 1.025 607 V CB -0.617 30.988 31.823 -0.363 0.000 0.656 607 V HN 0.249 nan 8.190 nan 0.000 0.451 608 M N 0.536 120.073 119.600 -0.104 0.000 2.073 608 M HA -0.175 4.305 4.480 0.001 0.000 0.258 608 M C 2.111 178.391 176.300 -0.033 0.000 1.070 608 M CA 2.513 57.769 55.300 -0.073 0.000 1.103 608 M CB -0.689 31.877 32.600 -0.057 0.000 1.321 608 M HN 0.457 nan 8.290 nan 0.000 0.405 609 G N -1.080 107.713 108.800 -0.012 0.000 2.418 609 G HA2 -0.194 3.766 3.960 0.001 0.000 0.217 609 G HA3 -0.194 3.766 3.960 0.001 0.000 0.217 609 G C 1.430 176.351 174.900 0.035 0.000 1.158 609 G CA 1.098 46.204 45.100 0.010 0.000 0.771 609 G HN 0.520 nan 8.290 nan 0.000 0.545 610 S N 0.541 116.283 115.700 0.070 0.000 2.370 610 S HA -0.095 4.375 4.470 0.001 0.000 0.226 610 S C 2.303 176.983 174.600 0.133 0.000 1.033 610 S CA 0.904 59.192 58.200 0.147 0.000 1.011 610 S CB -0.167 63.247 63.200 0.357 0.000 0.852 610 S HN 0.263 nan 8.310 nan 0.000 0.457 611 I N 1.631 122.246 120.570 0.075 0.000 2.163 611 I HA -0.183 3.987 4.170 0.001 0.000 0.243 611 I C 2.674 178.810 176.117 0.031 0.000 1.085 611 I CA 1.494 62.821 61.300 0.045 0.000 1.347 611 I CB -1.455 36.524 38.000 -0.035 0.000 1.044 611 I HN 0.321 nan 8.210 nan 0.000 0.408 612 Q N 1.351 121.161 119.800 0.017 0.000 2.061 612 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 612 Q C 2.240 178.252 176.000 0.020 0.000 0.984 612 Q CA 1.682 57.492 55.803 0.013 0.000 0.846 612 Q CB -0.483 28.259 28.738 0.007 0.000 0.902 612 Q HN 0.517 nan 8.270 nan 0.000 0.421 613 L N -0.793 120.447 121.223 0.028 0.000 2.083 613 L HA -0.237 4.103 4.340 0.001 0.000 0.209 613 L C 2.534 179.419 176.870 0.025 0.000 1.083 613 L CA 1.007 55.863 54.840 0.026 0.000 0.752 613 L CB -0.587 41.490 42.059 0.030 0.000 0.899 613 L HN 0.366 nan 8.230 nan 0.000 0.433 614 C N -0.543 118.779 119.300 0.037 0.000 2.429 614 C HA -0.165 4.296 4.460 0.001 0.000 0.277 614 C C 3.025 178.027 174.990 0.020 0.000 1.262 614 C CA 0.806 59.843 59.018 0.031 0.000 1.733 614 C CB -0.887 26.885 27.740 0.054 0.000 2.010 614 C HN 0.483 nan 8.230 nan 0.000 0.483 615 R N 0.960 121.472 120.500 0.019 0.000 2.096 615 R HA -0.142 4.198 4.340 0.001 0.000 0.235 615 R C 1.540 177.845 176.300 0.009 0.000 1.127 615 R CA 1.933 58.041 56.100 0.012 0.000 0.968 615 R CB -0.367 29.939 30.300 0.010 0.000 0.861 615 R HN 0.481 nan 8.270 nan 0.000 0.440 616 D N 0.216 120.622 120.400 0.010 0.000 2.178 616 D HA -0.114 4.526 4.640 0.001 0.000 0.201 616 D C 1.144 177.448 176.300 0.006 0.000 0.980 616 D CA 1.423 55.428 54.000 0.008 0.000 0.842 616 D CB -0.047 40.758 40.800 0.009 0.000 0.948 616 D HN 0.390 nan 8.370 nan 0.000 0.472 617 A N -0.298 122.525 122.820 0.006 0.000 2.302 617 A HA 0.456 4.777 4.320 0.001 0.000 0.219 617 A C 1.636 179.220 177.584 -0.000 0.000 1.243 617 A CA 0.709 52.747 52.037 0.002 0.000 0.856 617 A CB -0.399 18.601 19.000 -0.001 0.000 0.893 617 A HN 0.197 nan 8.150 nan 0.000 0.491 618 G N -0.494 108.307 108.800 0.002 0.000 2.153 618 G HA2 -0.244 3.716 3.960 0.001 0.000 0.252 618 G HA3 -0.244 3.716 3.960 0.001 0.000 0.252 618 G C 0.047 174.947 174.900 0.000 0.000 0.994 618 G CA 0.490 45.591 45.100 0.001 0.000 0.698 618 G HN 0.551 nan 8.290 nan 0.000 0.521 619 I N 0.853 121.425 120.570 0.003 0.000 2.312 619 I HA 0.342 4.512 4.170 0.001 0.000 0.290 619 I C 1.069 177.193 176.117 0.011 0.000 1.008 619 I CA -0.793 60.509 61.300 0.004 0.000 1.226 619 I CB 1.007 39.008 38.000 0.002 0.000 1.371 619 I HN 0.004 nan 8.210 nan 0.000 0.468 620 R N 4.497 125.003 120.500 0.011 0.000 2.539 620 R HA 0.566 4.906 4.340 0.001 0.000 0.275 620 R C -1.020 175.292 176.300 0.021 0.000 1.077 620 R CA -0.409 55.699 56.100 0.013 0.000 1.097 620 R CB 1.573 31.882 30.300 0.014 0.000 1.018 620 R HN 0.368 nan 8.270 nan 0.000 0.483 621 V N 5.476 125.397 119.914 0.012 0.000 2.483 621 V HA 0.418 4.538 4.120 0.001 0.000 0.297 621 V C -0.103 175.984 176.094 -0.012 0.000 1.027 621 V CA -0.606 61.705 62.300 0.018 0.000 0.855 621 V CB 1.778 33.617 31.823 0.027 0.000 0.995 621 V HN 0.607 nan 8.190 nan 0.000 0.424 622 I N 5.067 125.649 120.570 0.020 0.000 2.406 622 I HA 0.476 4.647 4.170 0.001 0.000 0.290 622 I C -0.081 176.058 176.117 0.037 0.000 0.999 622 I CA -0.405 60.918 61.300 0.039 0.000 1.124 622 I CB 1.853 39.921 38.000 0.112 0.000 1.289 622 I HN 0.560 nan 8.210 nan 0.000 0.441 623 M N 7.551 127.156 119.600 0.009 0.000 2.188 623 M HA 0.536 5.016 4.480 0.001 0.000 0.357 623 M C -1.370 174.987 176.300 0.096 0.000 1.204 623 M CA -0.119 55.186 55.300 0.008 0.000 1.095 623 M CB 0.835 33.397 32.600 -0.064 0.000 1.604 623 M HN 0.493 nan 8.290 nan 0.000 0.464 624 I N 4.244 124.854 120.570 0.067 0.000 2.476 624 I HA 0.306 4.477 4.170 0.001 0.000 0.281 624 I C -0.566 175.572 176.117 0.035 0.000 1.040 624 I CA -0.383 60.961 61.300 0.075 0.000 1.094 624 I CB 2.013 40.016 38.000 0.005 0.000 1.219 624 I HN 0.624 nan 8.210 nan 0.000 0.450 625 T N 2.585 117.163 114.554 0.041 0.000 2.906 625 T HA 0.507 4.858 4.350 0.001 0.000 0.295 625 T C 0.913 175.622 174.700 0.015 0.000 1.061 625 T CA -0.218 61.893 62.100 0.018 0.000 1.000 625 T CB 1.867 70.740 68.868 0.008 0.000 1.103 625 T HN 0.673 nan 8.240 nan 0.000 0.486 626 G N 1.598 110.401 108.800 0.005 0.000 2.712 626 G HA2 0.105 4.065 3.960 0.001 0.000 0.212 626 G HA3 0.105 4.065 3.960 0.001 0.000 0.212 626 G C 0.531 175.433 174.900 0.004 0.000 1.142 626 G CA 0.004 45.105 45.100 0.002 0.000 0.789 626 G HN 0.683 nan 8.290 nan 0.000 0.535 627 D N 0.503 120.906 120.400 0.005 0.000 2.384 627 D HA 0.056 4.697 4.640 0.001 0.000 0.244 627 D C 0.313 176.620 176.300 0.012 0.000 1.251 627 D CA -0.390 53.615 54.000 0.007 0.000 0.961 627 D CB 0.445 41.248 40.800 0.003 0.000 1.116 627 D HN -0.069 nan 8.370 nan 0.000 0.484 628 N N 1.074 119.782 118.700 0.014 0.000 2.482 628 N HA -0.024 4.717 4.740 0.001 0.000 0.260 628 N C 0.897 176.415 175.510 0.013 0.000 1.236 628 N CA -0.164 52.896 53.050 0.017 0.000 0.938 628 N CB 0.861 39.361 38.487 0.021 0.000 1.128 628 N HN 0.404 nan 8.380 nan 0.000 0.448 629 K N 1.312 121.719 120.400 0.012 0.000 2.009 629 K HA -0.151 4.169 4.320 0.001 0.000 0.210 629 K C 1.820 178.423 176.600 0.005 0.000 1.049 629 K CA 1.724 58.014 56.287 0.004 0.000 0.929 629 K CB -0.539 31.958 32.500 -0.006 0.000 0.714 629 K HN 0.691 nan 8.250 nan 0.000 0.440 630 G N -0.120 108.684 108.800 0.007 0.000 2.514 630 G HA2 -0.357 3.603 3.960 0.001 0.000 0.217 630 G HA3 -0.357 3.603 3.960 0.001 0.000 0.217 630 G C 1.533 176.441 174.900 0.013 0.000 1.198 630 G CA 1.792 46.897 45.100 0.009 0.000 0.780 630 G HN 0.525 nan 8.290 nan 0.000 0.565 631 T N 0.013 114.575 114.554 0.013 0.000 2.867 631 T HA 0.219 4.569 4.350 0.001 0.000 0.268 631 T C 2.554 177.255 174.700 0.002 0.000 1.057 631 T CA 1.842 63.947 62.100 0.008 0.000 1.136 631 T CB -0.345 68.527 68.868 0.007 0.000 0.874 631 T HN 0.379 nan 8.240 nan 0.000 0.466 632 A N 1.362 124.185 122.820 0.004 0.000 1.877 632 A HA 0.097 4.418 4.320 0.001 0.000 0.216 632 A C 2.374 179.965 177.584 0.012 0.000 1.186 632 A CA 1.599 53.635 52.037 -0.001 0.000 0.620 632 A CB -0.835 18.168 19.000 0.005 0.000 0.822 632 A HN 0.624 nan 8.150 nan 0.000 0.443 633 I N -0.278 120.319 120.570 0.044 0.000 2.226 633 I HA -0.263 3.907 4.170 0.001 0.000 0.245 633 I C 2.951 179.122 176.117 0.089 0.000 1.100 633 I CA 0.977 62.345 61.300 0.114 0.000 1.374 633 I CB -0.296 37.758 38.000 0.089 0.000 1.057 633 I HN 0.358 nan 8.210 nan 0.000 0.413 634 A N 0.991 123.834 122.820 0.039 0.000 1.940 634 A HA -0.179 4.142 4.320 0.001 0.000 0.219 634 A C 2.207 179.791 177.584 0.001 0.000 1.176 634 A CA 1.435 53.484 52.037 0.021 0.000 0.631 634 A CB -0.567 18.437 19.000 0.007 0.000 0.814 634 A HN 0.321 nan 8.150 nan 0.000 0.446 635 I N -0.441 120.119 120.570 -0.018 0.000 2.439 635 I HA -0.191 3.980 4.170 0.001 0.000 0.251 635 I C 2.494 178.567 176.117 -0.073 0.000 1.139 635 I CA 0.686 61.956 61.300 -0.050 0.000 1.438 635 I CB -1.683 36.280 38.000 -0.062 0.000 1.085 635 I HN 0.357 nan 8.210 nan 0.000 0.427 636 C N 0.765 120.022 119.300 -0.072 0.000 2.425 636 C HA -0.133 4.327 4.460 0.001 0.000 0.277 636 C C 2.951 177.892 174.990 -0.080 0.000 1.280 636 C CA 0.665 59.584 59.018 -0.165 0.000 1.744 636 C CB -0.947 26.593 27.740 -0.333 0.000 1.989 636 C HN 0.449 nan 8.230 nan 0.000 0.491 637 R N 0.160 120.681 120.500 0.035 0.000 2.075 637 R HA -0.046 4.294 4.340 0.001 0.000 0.232 637 R C 2.464 178.762 176.300 -0.004 0.000 1.126 637 R CA 0.912 57.044 56.100 0.054 0.000 0.963 637 R CB -0.330 30.012 30.300 0.071 0.000 0.858 637 R HN 0.553 nan 8.270 nan 0.000 0.435 638 R N 1.038 121.522 120.500 -0.027 0.000 2.091 638 R HA -0.099 4.242 4.340 0.001 0.000 0.238 638 R C 2.231 178.495 176.300 -0.061 0.000 1.136 638 R CA 1.583 57.656 56.100 -0.044 0.000 0.959 638 R CB -0.278 29.989 30.300 -0.055 0.000 0.856 638 R HN 0.352 nan 8.270 nan 0.000 0.437 639 I N -3.368 117.151 120.570 -0.085 0.000 3.812 639 I HA 0.319 4.490 4.170 0.001 0.000 0.320 639 I C 0.744 176.803 176.117 -0.096 0.000 1.276 639 I CA 0.626 61.862 61.300 -0.107 0.000 1.164 639 I CB 0.540 38.445 38.000 -0.159 0.000 1.009 639 I HN 0.239 nan 8.210 nan 0.000 0.431 640 G N 1.941 110.699 108.800 -0.070 0.000 2.176 640 G HA2 -0.282 3.678 3.960 0.001 0.000 0.253 640 G HA3 -0.282 3.678 3.960 0.001 0.000 0.253 640 G C 0.698 175.554 174.900 -0.073 0.000 0.979 640 G CA 0.474 45.543 45.100 -0.051 0.000 0.641 640 G HN 0.504 nan 8.290 nan 0.000 0.530 641 I N -0.675 119.800 120.570 -0.159 0.000 2.315 641 I HA 0.134 4.305 4.170 0.001 0.000 0.248 641 I C 1.269 177.238 176.117 -0.245 0.000 1.117 641 I CA 1.138 62.270 61.300 -0.280 0.000 1.404 641 I CB -0.102 37.604 38.000 -0.489 0.000 1.071 641 I HN 0.223 nan 8.210 nan 0.000 0.419 642 F N -0.369 119.557 119.950 -0.040 0.000 2.538 642 F HA 0.514 5.041 4.527 0.001 0.000 0.325 642 F C 0.935 176.713 175.800 -0.036 0.000 1.066 642 F CA -1.219 56.757 58.000 -0.041 0.000 0.946 642 F CB 1.352 40.322 39.000 -0.051 0.000 1.199 642 F HN -0.194 nan 8.300 nan 0.000 0.473 643 G N 0.658 109.570 108.800 0.185 0.000 2.606 643 G HA2 0.124 4.085 3.960 0.001 0.000 0.252 643 G HA3 0.124 4.085 3.960 0.001 0.000 0.252 643 G C 0.486 175.422 174.900 0.060 0.000 1.206 643 G CA -0.357 44.791 45.100 0.080 0.000 0.861 643 G HN 0.825 nan 8.290 nan 0.000 0.561 644 E N -0.124 120.094 120.200 0.030 0.000 2.130 644 E HA -0.177 4.173 4.350 0.001 0.000 0.196 644 E C 1.408 178.009 176.600 0.001 0.000 0.998 644 E CA 1.060 57.470 56.400 0.016 0.000 0.806 644 E CB 0.160 29.863 29.700 0.005 0.000 0.738 644 E HN 0.630 nan 8.360 nan 0.000 0.459 645 N N 0.613 119.307 118.700 -0.010 0.000 2.170 645 N HA -0.037 4.704 4.740 0.001 0.000 0.222 645 N C -0.333 175.144 175.510 -0.055 0.000 1.218 645 N CA -0.080 52.952 53.050 -0.030 0.000 0.889 645 N CB 0.697 39.169 38.487 -0.025 0.000 1.083 645 N HN 0.074 nan 8.380 nan 0.000 0.520 646 E N 1.730 121.895 120.200 -0.057 0.000 2.452 646 E HA -0.135 4.215 4.350 0.001 0.000 0.261 646 E C -0.369 176.116 176.600 -0.192 0.000 0.987 646 E CA -0.028 56.309 56.400 -0.104 0.000 0.926 646 E CB 0.588 30.238 29.700 -0.084 0.000 0.934 646 E HN 0.149 nan 8.360 nan 0.000 0.452 647 E N 3.207 123.298 120.200 -0.183 0.000 2.324 647 E HA 0.039 4.390 4.350 0.001 0.000 0.271 647 E C 0.006 176.407 176.600 -0.331 0.000 1.028 647 E CA -0.104 56.172 56.400 -0.207 0.000 0.890 647 E CB 1.215 30.830 29.700 -0.142 0.000 1.004 647 E HN 0.363 nan 8.360 nan 0.000 0.431 648 V N 2.303 121.981 119.914 -0.393 0.000 3.276 648 V HA 0.449 4.569 4.120 0.001 0.000 0.319 648 V C 1.485 177.347 176.094 -0.387 0.000 1.427 648 V CA 0.408 62.381 62.300 -0.544 0.000 1.102 648 V CB -0.130 31.213 31.823 -0.800 0.000 1.020 648 V HN 0.658 nan 8.190 nan 0.000 0.456 649 A N 2.873 125.527 122.820 -0.276 0.000 1.894 649 A HA -0.314 4.006 4.320 0.001 0.000 0.220 649 A C 1.633 179.040 177.584 -0.295 0.000 1.237 649 A CA 2.882 54.780 52.037 -0.231 0.000 0.660 649 A CB -0.856 18.055 19.000 -0.148 0.000 0.835 649 A HN 0.888 nan 8.150 nan 0.000 0.461 650 D N -2.551 117.709 120.400 -0.233 0.000 2.463 650 D HA 0.183 4.823 4.640 0.001 0.000 0.224 650 D C 0.980 177.180 176.300 -0.168 0.000 1.174 650 D CA -0.149 53.739 54.000 -0.187 0.000 0.829 650 D CB -0.019 40.795 40.800 0.023 0.000 0.993 650 D HN 0.513 nan 8.370 nan 0.000 0.497 651 R N 0.057 120.383 120.500 -0.289 0.000 2.472 651 R HA 0.578 4.919 4.340 0.001 0.000 0.279 651 R C -0.203 175.994 176.300 -0.172 0.000 0.953 651 R CA -0.152 55.863 56.100 -0.141 0.000 1.088 651 R CB 1.267 31.479 30.300 -0.147 0.000 1.197 651 R HN 0.152 nan 8.270 nan 0.000 0.536 652 A N 0.695 123.219 122.820 -0.494 0.000 2.459 652 A HA 0.691 5.012 4.320 0.001 0.000 0.296 652 A C -1.671 175.468 177.584 -0.741 0.000 1.039 652 A CA -0.531 51.243 52.037 -0.439 0.000 0.698 652 A CB 1.092 19.966 19.000 -0.210 0.000 1.261 652 A HN 0.144 nan 8.150 nan 0.000 0.405 653 Y N 0.008 120.121 120.300 -0.311 0.000 2.562 653 Y HA 0.635 5.185 4.550 0.001 0.000 0.345 653 Y C 0.905 176.778 175.900 -0.045 0.000 1.045 653 Y CA -0.239 57.786 58.100 -0.126 0.000 1.028 653 Y CB 2.391 40.843 38.460 -0.013 0.000 1.297 653 Y HN 0.820 nan 8.280 nan 0.000 0.463 654 T N -2.442 112.225 114.554 0.188 0.000 2.881 654 T HA 0.418 4.768 4.350 0.001 0.000 0.278 654 T C 1.262 176.032 174.700 0.117 0.000 0.982 654 T CA -0.146 62.018 62.100 0.106 0.000 0.989 654 T CB 1.372 70.284 68.868 0.073 0.000 1.058 654 T HN 0.828 nan 8.240 nan 0.000 0.529 655 G N -0.100 108.668 108.800 -0.053 0.000 2.446 655 G HA2 -0.183 3.778 3.960 0.001 0.000 0.217 655 G HA3 -0.183 3.778 3.960 0.001 0.000 0.217 655 G C 1.625 176.508 174.900 -0.029 0.000 1.168 655 G CA 0.295 45.190 45.100 -0.341 0.000 0.771 655 G HN 0.735 nan 8.290 nan 0.000 0.551 656 R N 0.354 120.887 120.500 0.054 0.000 2.081 656 R HA -0.067 4.274 4.340 0.001 0.000 0.235 656 R C 2.578 178.962 176.300 0.140 0.000 1.131 656 R CA 1.595 57.763 56.100 0.113 0.000 0.960 656 R CB -0.270 30.084 30.300 0.091 0.000 0.856 656 R HN 0.496 nan 8.270 nan 0.000 0.436 657 E N -0.632 119.668 120.200 0.167 0.000 2.077 657 E HA -0.221 4.130 4.350 0.001 0.000 0.193 657 E C 1.708 178.431 176.600 0.206 0.000 0.989 657 E CA 1.386 57.909 56.400 0.205 0.000 0.800 657 E CB -0.212 29.665 29.700 0.295 0.000 0.746 657 E HN 0.290 nan 8.360 nan 0.000 0.452 658 F N 1.953 121.953 119.950 0.084 0.000 2.134 658 F HA -0.217 4.311 4.527 0.001 0.000 0.299 658 F C 1.749 177.574 175.800 0.042 0.000 1.097 658 F CA 1.426 59.436 58.000 0.016 0.000 1.264 658 F CB 0.152 39.227 39.000 0.125 0.000 1.001 658 F HN -0.084 nan 8.300 nan 0.000 0.479 659 D N 0.078 120.548 120.400 0.117 0.000 2.178 659 D HA -0.174 4.467 4.640 0.001 0.000 0.202 659 D C 1.660 177.937 176.300 -0.039 0.000 0.974 659 D CA 1.348 55.370 54.000 0.037 0.000 0.841 659 D CB -0.534 40.378 40.800 0.187 0.000 0.953 659 D HN 0.376 nan 8.370 nan 0.000 0.478 660 D N -0.242 120.156 120.400 -0.003 0.000 2.218 660 D HA -0.030 4.611 4.640 0.001 0.000 0.204 660 D C 0.492 176.755 176.300 -0.062 0.000 0.976 660 D CA 0.361 54.357 54.000 -0.007 0.000 0.853 660 D CB 0.201 41.020 40.800 0.032 0.000 0.939 660 D HN 0.142 nan 8.370 nan 0.000 0.481 661 L N 1.559 122.695 121.223 -0.145 0.000 2.439 661 L HA 0.246 4.586 4.340 0.001 0.000 0.269 661 L C -1.862 174.894 176.870 -0.190 0.000 1.179 661 L CA -1.779 52.949 54.840 -0.188 0.000 0.828 661 L CB 0.399 42.269 42.059 -0.315 0.000 1.106 661 L HN -0.037 nan 8.230 nan 0.000 0.467 662 P HA 0.025 nan 4.420 nan 0.000 0.272 662 P C 0.634 177.848 177.300 -0.142 0.000 1.223 662 P CA -0.530 62.505 63.100 -0.108 0.000 0.784 662 P CB 0.984 32.641 31.700 -0.071 0.000 0.923 663 L N 2.382 123.549 121.223 -0.093 0.000 2.103 663 L HA -0.280 4.061 4.340 0.001 0.000 0.215 663 L C 2.676 179.474 176.870 -0.120 0.000 1.080 663 L CA 2.785 57.585 54.840 -0.067 0.000 0.764 663 L CB -1.892 40.172 42.059 0.008 0.000 0.890 663 L HN 0.485 nan 8.230 nan 0.000 0.435 664 A N -1.253 121.508 122.820 -0.099 0.000 1.855 664 A HA -0.148 4.172 4.320 0.001 0.000 0.215 664 A C 2.241 179.745 177.584 -0.133 0.000 1.191 664 A CA 1.329 53.310 52.037 -0.094 0.000 0.613 664 A CB -0.399 18.569 19.000 -0.053 0.000 0.829 664 A HN 0.377 nan 8.150 nan 0.000 0.442 665 E N 0.082 120.198 120.200 -0.139 0.000 2.077 665 E HA -0.223 4.128 4.350 0.001 0.000 0.193 665 E C 2.179 178.641 176.600 -0.230 0.000 0.989 665 E CA 1.340 57.654 56.400 -0.145 0.000 0.800 665 E CB -0.459 29.160 29.700 -0.134 0.000 0.746 665 E HN 0.750 nan 8.360 nan 0.000 0.452 666 Q N 0.211 119.779 119.800 -0.386 0.000 2.077 666 Q HA -0.207 4.134 4.340 0.001 0.000 0.206 666 Q C 2.340 178.013 176.000 -0.546 0.000 0.989 666 Q CA 1.701 57.144 55.803 -0.600 0.000 0.853 666 Q CB -0.220 28.062 28.738 -0.761 0.000 0.907 666 Q HN 0.127 nan 8.270 nan 0.000 0.418 667 R N 0.477 120.540 120.500 -0.727 0.000 2.081 667 R HA -0.208 4.133 4.340 0.001 0.000 0.235 667 R C 2.038 178.339 176.300 0.001 0.000 1.131 667 R CA 1.692 57.438 56.100 -0.590 0.000 0.960 667 R CB 0.007 30.102 30.300 -0.342 0.000 0.856 667 R HN 0.090 nan 8.270 nan 0.000 0.436 668 E N 0.170 120.383 120.200 0.021 0.000 2.158 668 E HA -0.017 4.334 4.350 0.001 0.000 0.191 668 E C 1.636 178.283 176.600 0.077 0.000 0.982 668 E CA 1.305 57.756 56.400 0.085 0.000 0.823 668 E CB -0.125 29.610 29.700 0.058 0.000 0.766 668 E HN 0.416 nan 8.360 nan 0.000 0.468 669 A N 0.004 122.876 122.820 0.088 0.000 1.940 669 A HA -0.226 4.095 4.320 0.001 0.000 0.219 669 A C 2.430 180.219 177.584 0.341 0.000 1.176 669 A CA 1.576 53.732 52.037 0.198 0.000 0.631 669 A CB -1.072 18.013 19.000 0.141 0.000 0.814 669 A HN 0.494 nan 8.150 nan 0.000 0.446 670 C N -1.534 117.955 119.300 0.315 0.000 2.437 670 C HA 0.032 4.492 4.460 0.001 0.000 0.283 670 C C 2.686 177.785 174.990 0.182 0.000 1.424 670 C CA 0.981 60.179 59.018 0.301 0.000 1.782 670 C CB -1.378 26.502 27.740 0.234 0.000 1.833 670 C HN 0.608 nan 8.230 nan 0.000 0.532 671 R N 0.112 120.656 120.500 0.073 0.000 2.189 671 R HA 0.031 4.371 4.340 0.001 0.000 0.203 671 R C 2.456 178.769 176.300 0.021 0.000 1.012 671 R CA 0.481 56.551 56.100 -0.049 0.000 1.015 671 R CB -0.061 30.072 30.300 -0.278 0.000 0.938 671 R HN 0.569 nan 8.270 nan 0.000 0.472 672 R N 0.103 120.651 120.500 0.080 0.000 2.103 672 R HA 0.232 4.572 4.340 0.001 0.000 0.212 672 R C 0.244 176.629 176.300 0.141 0.000 1.107 672 R CA 0.646 56.802 56.100 0.093 0.000 1.025 672 R CB 0.063 30.415 30.300 0.087 0.000 0.929 672 R HN 0.029 nan 8.270 nan 0.000 0.456 673 A N 0.372 123.311 122.820 0.199 0.000 2.407 673 A HA 0.259 4.579 4.320 0.001 0.000 0.248 673 A C 0.276 177.955 177.584 0.158 0.000 1.082 673 A CA -0.329 51.799 52.037 0.152 0.000 0.785 673 A CB 0.543 19.588 19.000 0.075 0.000 1.020 673 A HN 0.622 nan 8.150 nan 0.000 0.489 674 C N 0.393 119.773 119.300 0.134 0.000 3.385 674 C HA 0.408 4.868 4.460 0.001 0.000 0.288 674 C C 0.374 175.324 174.990 -0.066 0.000 1.429 674 C CA -0.422 58.620 59.018 0.039 0.000 1.778 674 C CB -1.421 26.258 27.740 -0.102 0.000 2.503 674 C HN 0.825 nan 8.230 nan 0.000 0.646 675 C N 1.551 120.790 119.300 -0.101 0.000 2.599 675 C HA 0.719 5.180 4.460 0.001 0.000 0.354 675 C C -1.590 173.206 174.990 -0.324 0.000 1.092 675 C CA -0.481 58.473 59.018 -0.108 0.000 1.280 675 C CB -0.603 27.148 27.740 0.018 0.000 1.829 675 C HN 0.439 nan 8.230 nan 0.000 0.454 676 F N 4.769 124.720 119.950 0.002 0.000 2.477 676 F HA 0.733 5.261 4.527 0.001 0.000 0.335 676 F C 0.535 176.309 175.800 -0.044 0.000 1.130 676 F CA -0.085 57.897 58.000 -0.030 0.000 0.948 676 F CB 1.710 40.629 39.000 -0.135 0.000 1.154 676 F HN 0.823 nan 8.300 nan 0.000 0.439 677 A N 2.438 125.315 122.820 0.095 0.000 2.387 677 A HA 0.811 5.131 4.320 0.001 0.000 0.303 677 A C 0.407 178.004 177.584 0.021 0.000 1.145 677 A CA -0.954 51.110 52.037 0.045 0.000 0.801 677 A CB 1.109 20.123 19.000 0.023 0.000 1.342 677 A HN 0.777 nan 8.150 nan 0.000 0.440 678 R N -1.148 119.359 120.500 0.011 0.000 3.416 678 R HA -0.135 4.206 4.340 0.001 0.000 0.263 678 R C -0.649 175.636 176.300 -0.025 0.000 1.053 678 R CA 0.634 56.736 56.100 0.003 0.000 0.705 678 R CB -2.115 28.192 30.300 0.012 0.000 1.124 678 R HN 0.500 nan 8.270 nan 0.000 0.444 679 V N 0.666 120.568 119.914 -0.019 0.000 2.743 679 V HA 0.211 4.332 4.120 0.001 0.000 0.301 679 V C 0.994 177.161 176.094 0.121 0.000 1.057 679 V CA -0.243 62.050 62.300 -0.012 0.000 1.006 679 V CB 1.914 33.733 31.823 -0.008 0.000 1.024 679 V HN 0.186 nan 8.190 nan 0.000 0.473 680 E N 3.918 124.356 120.200 0.396 0.000 2.232 680 E HA 0.302 4.652 4.350 0.001 0.000 0.265 680 E C -1.877 174.756 176.600 0.056 0.000 1.001 680 E CA -1.697 54.796 56.400 0.155 0.000 0.870 680 E CB 1.320 31.066 29.700 0.078 0.000 1.175 680 E HN 0.377 nan 8.360 nan 0.000 0.407 681 P HA -0.144 nan 4.420 nan 0.000 0.216 681 P C 0.977 178.230 177.300 -0.079 0.000 1.150 681 P CA 1.315 64.376 63.100 -0.064 0.000 0.843 681 P CB 0.242 31.887 31.700 -0.092 0.000 0.787 682 S N -1.966 113.655 115.700 -0.132 0.000 2.447 682 S HA -0.143 4.328 4.470 0.001 0.000 0.233 682 S C 1.569 176.068 174.600 -0.169 0.000 1.006 682 S CA 0.920 59.020 58.200 -0.167 0.000 0.957 682 S CB -1.007 62.065 63.200 -0.213 0.000 0.773 682 S HN 0.391 nan 8.310 nan 0.000 0.507 683 H N 1.486 120.523 119.070 -0.055 0.000 2.357 683 H HA 0.039 4.595 4.556 0.001 0.000 0.301 683 H C 2.210 177.439 175.328 -0.165 0.000 1.082 683 H CA 1.311 57.313 56.048 -0.076 0.000 1.342 683 H CB 0.084 29.805 29.762 -0.068 0.000 1.389 683 H HN 0.265 nan 8.280 nan 0.000 0.511 684 K N 0.329 120.716 120.400 -0.023 0.000 2.026 684 K HA -0.134 4.186 4.320 0.001 0.000 0.208 684 K C 2.457 178.995 176.600 -0.103 0.000 1.048 684 K CA 1.632 57.865 56.287 -0.091 0.000 0.929 684 K CB -0.120 32.345 32.500 -0.059 0.000 0.713 684 K HN 0.335 nan 8.250 nan 0.000 0.439 685 S N 1.455 117.102 115.700 -0.087 0.000 2.383 685 S HA -0.146 4.325 4.470 0.001 0.000 0.227 685 S C 2.045 176.575 174.600 -0.117 0.000 1.026 685 S CA 1.062 59.206 58.200 -0.092 0.000 0.981 685 S CB -0.120 63.028 63.200 -0.087 0.000 0.818 685 S HN 0.235 nan 8.310 nan 0.000 0.472 686 K N 1.750 122.078 120.400 -0.119 0.000 2.026 686 K HA -0.057 4.263 4.320 0.001 0.000 0.208 686 K C 2.290 178.802 176.600 -0.146 0.000 1.048 686 K CA 1.788 57.980 56.287 -0.158 0.000 0.929 686 K CB -0.472 32.007 32.500 -0.035 0.000 0.713 686 K HN 0.668 nan 8.250 nan 0.000 0.439 687 I N -1.452 119.055 120.570 -0.104 0.000 2.394 687 I HA -0.153 4.017 4.170 0.001 0.000 0.251 687 I C 1.933 178.033 176.117 -0.029 0.000 1.136 687 I CA 0.814 62.063 61.300 -0.084 0.000 1.425 687 I CB -0.637 37.039 38.000 -0.539 0.000 1.079 687 I HN -0.095 nan 8.210 nan 0.000 0.425 688 V N 1.905 121.774 119.914 -0.074 0.000 2.358 688 V HA -0.261 3.859 4.120 0.001 0.000 0.246 688 V C 2.766 178.851 176.094 -0.015 0.000 1.047 688 V CA 2.333 64.611 62.300 -0.036 0.000 1.035 688 V CB -0.794 30.999 31.823 -0.050 0.000 0.658 688 V HN 0.537 nan 8.190 nan 0.000 0.452 689 E N -0.632 119.522 120.200 -0.076 0.000 2.085 689 E HA -0.258 4.093 4.350 0.001 0.000 0.194 689 E C 2.185 178.761 176.600 -0.040 0.000 0.994 689 E CA 1.832 58.167 56.400 -0.108 0.000 0.801 689 E CB -0.304 29.261 29.700 -0.224 0.000 0.743 689 E HN 0.736 nan 8.360 nan 0.000 0.453 690 Y N -0.036 120.289 120.300 0.041 0.000 2.145 690 Y HA -0.253 4.297 4.550 0.001 0.000 0.286 690 Y C 2.385 178.388 175.900 0.171 0.000 1.145 690 Y CA 0.433 58.587 58.100 0.090 0.000 1.148 690 Y CB -0.027 38.523 38.460 0.149 0.000 0.981 690 Y HN 0.157 nan 8.280 nan 0.000 0.507 691 L N 0.387 121.804 121.223 0.322 0.000 2.013 691 L HA -0.302 4.039 4.340 0.001 0.000 0.212 691 L C 2.242 179.256 176.870 0.240 0.000 1.073 691 L CA 1.818 56.825 54.840 0.278 0.000 0.753 691 L CB -1.496 40.647 42.059 0.140 0.000 0.890 691 L HN 0.359 nan 8.230 nan 0.000 0.432 692 Q N -0.993 118.888 119.800 0.134 0.000 2.234 692 Q HA -0.185 4.156 4.340 0.001 0.000 0.206 692 Q C 2.225 178.271 176.000 0.076 0.000 0.980 692 Q CA 1.632 57.484 55.803 0.082 0.000 0.869 692 Q CB -0.261 28.494 28.738 0.029 0.000 0.912 692 Q HN 0.668 nan 8.270 nan 0.000 0.436 693 S N -0.431 115.312 115.700 0.071 0.000 2.442 693 S HA -0.163 4.307 4.470 0.001 0.000 0.236 693 S C 1.178 175.716 174.600 -0.104 0.000 1.007 693 S CA 0.754 58.935 58.200 -0.032 0.000 0.965 693 S CB -0.249 62.918 63.200 -0.055 0.000 0.773 693 S HN 0.435 nan 8.310 nan 0.000 0.504 694 Y N 1.938 122.273 120.300 0.060 0.000 2.532 694 Y HA 0.249 4.800 4.550 0.001 0.000 0.283 694 Y C 0.153 176.070 175.900 0.029 0.000 1.181 694 Y CA -0.300 57.826 58.100 0.044 0.000 1.256 694 Y CB -0.113 38.376 38.460 0.047 0.000 1.112 694 Y HN 0.176 nan 8.280 nan 0.000 0.521 695 D N 0.760 121.236 120.400 0.127 0.000 2.772 695 D HA -0.215 4.425 4.640 0.001 0.000 0.233 695 D C -0.368 175.977 176.300 0.076 0.000 1.143 695 D CA 0.780 54.827 54.000 0.078 0.000 0.700 695 D CB -1.010 39.825 40.800 0.060 0.000 1.076 695 D HN 0.530 nan 8.370 nan 0.000 0.430 696 E N -0.092 120.163 120.200 0.092 0.000 2.204 696 E HA 0.350 4.701 4.350 0.001 0.000 0.276 696 E C 0.640 177.259 176.600 0.031 0.000 0.974 696 E CA -0.909 55.528 56.400 0.060 0.000 0.815 696 E CB 1.409 31.153 29.700 0.073 0.000 1.119 696 E HN 0.023 nan 8.360 nan 0.000 0.393 697 I N 3.543 124.117 120.570 0.006 0.000 2.329 697 I HA 0.039 4.209 4.170 0.001 0.000 0.295 697 I C 0.630 176.742 176.117 -0.008 0.000 1.109 697 I CA 0.142 61.435 61.300 -0.011 0.000 1.297 697 I CB -0.473 37.505 38.000 -0.036 0.000 1.433 697 I HN 0.432 nan 8.210 nan 0.000 0.509 698 T N 3.355 117.907 114.554 -0.003 0.000 2.859 698 T HA 0.858 5.208 4.350 0.001 0.000 0.281 698 T C -0.189 174.503 174.700 -0.015 0.000 1.005 698 T CA -0.726 61.373 62.100 -0.003 0.000 1.025 698 T CB 2.351 71.226 68.868 0.011 0.000 0.977 698 T HN 0.590 nan 8.240 nan 0.000 0.458 699 A N 2.944 125.754 122.820 -0.017 0.000 2.322 699 A HA 0.901 5.221 4.320 0.001 0.000 0.327 699 A C -0.561 177.012 177.584 -0.019 0.000 1.134 699 A CA -1.117 50.904 52.037 -0.026 0.000 0.831 699 A CB 1.622 20.598 19.000 -0.041 0.000 1.288 699 A HN 0.989 nan 8.150 nan 0.000 0.472 700 M N 0.853 120.440 119.600 -0.023 0.000 2.326 700 M HA 0.557 5.038 4.480 0.001 0.000 0.292 700 M C -1.185 175.108 176.300 -0.012 0.000 1.081 700 M CA 0.090 55.382 55.300 -0.013 0.000 0.919 700 M CB 2.050 34.638 32.600 -0.019 0.000 1.634 700 M HN 0.562 nan 8.290 nan 0.000 0.451 701 T N 3.130 117.691 114.554 0.013 0.000 2.823 701 T HA 0.960 5.310 4.350 0.001 0.000 0.279 701 T C -0.192 174.532 174.700 0.039 0.000 0.998 701 T CA -0.538 61.576 62.100 0.023 0.000 0.994 701 T CB 1.498 70.409 68.868 0.071 0.000 0.960 701 T HN 0.933 nan 8.240 nan 0.000 0.448 702 G N 0.832 109.648 108.800 0.027 0.000 2.608 702 G HA2 0.555 4.516 3.960 0.001 0.000 0.291 702 G HA3 0.555 4.516 3.960 0.001 0.000 0.291 702 G C -0.785 174.127 174.900 0.019 0.000 1.425 702 G CA -0.675 44.438 45.100 0.023 0.000 0.787 702 G HN 0.585 nan 8.290 nan 0.000 0.484 703 D N -1.600 118.809 120.400 0.015 0.000 2.335 703 D HA 0.187 4.827 4.640 0.001 0.000 0.284 703 D C 1.042 177.348 176.300 0.010 0.000 1.096 703 D CA 0.756 54.766 54.000 0.016 0.000 0.844 703 D CB 0.253 41.067 40.800 0.023 0.000 1.454 703 D HN 0.795 nan 8.370 nan 0.000 0.526 704 G N 1.028 109.827 108.800 -0.002 0.000 2.502 704 G HA2 0.405 4.366 3.960 0.001 0.000 0.305 704 G HA3 0.405 4.366 3.960 0.001 0.000 0.305 704 G C 1.073 175.950 174.900 -0.039 0.000 1.190 704 G CA -0.037 45.052 45.100 -0.018 0.000 0.933 704 G HN 0.228 nan 8.290 nan 0.000 0.503 705 V N -0.289 119.577 119.914 -0.080 0.000 3.141 705 V HA -0.071 4.049 4.120 0.001 0.000 0.265 705 V C 1.824 177.854 176.094 -0.106 0.000 1.126 705 V CA 1.751 63.984 62.300 -0.110 0.000 1.141 705 V CB -0.693 30.982 31.823 -0.246 0.000 0.743 705 V HN 0.720 nan 8.190 nan 0.000 0.492 706 N N -0.120 118.522 118.700 -0.096 0.000 2.515 706 N HA -0.106 4.635 4.740 0.001 0.000 0.185 706 N C 0.975 176.449 175.510 -0.059 0.000 1.109 706 N CA 1.228 54.227 53.050 -0.085 0.000 0.903 706 N CB -0.318 38.120 38.487 -0.080 0.000 0.969 706 N HN 0.564 nan 8.380 nan 0.000 0.450 707 D N 0.609 120.981 120.400 -0.047 0.000 2.366 707 D HA 0.185 4.825 4.640 0.001 0.000 0.205 707 D C 1.782 178.060 176.300 -0.037 0.000 1.022 707 D CA 0.332 54.312 54.000 -0.035 0.000 0.868 707 D CB 0.252 41.039 40.800 -0.021 0.000 0.953 707 D HN 0.299 nan 8.370 nan 0.000 0.514 708 A N 2.375 125.171 122.820 -0.040 0.000 1.881 708 A HA -0.190 4.131 4.320 0.001 0.000 0.219 708 A C -0.224 177.337 177.584 -0.039 0.000 1.215 708 A CA 1.725 53.741 52.037 -0.036 0.000 0.648 708 A CB -1.643 17.335 19.000 -0.037 0.000 0.832 708 A HN 0.170 nan 8.150 nan 0.000 0.455 709 P HA -0.166 nan 4.420 nan 0.000 0.214 709 P C 1.815 179.086 177.300 -0.050 0.000 1.163 709 P CA 2.196 65.265 63.100 -0.051 0.000 0.889 709 P CB -0.190 31.473 31.700 -0.062 0.000 0.790 710 A N -0.799 121.991 122.820 -0.050 0.000 1.902 710 A HA -0.168 4.153 4.320 0.001 0.000 0.217 710 A C 2.227 179.788 177.584 -0.039 0.000 1.181 710 A CA 1.476 53.484 52.037 -0.049 0.000 0.623 710 A CB -1.720 17.251 19.000 -0.049 0.000 0.818 710 A HN 0.106 nan 8.150 nan 0.000 0.443 711 L N -1.118 120.085 121.223 -0.033 0.000 2.131 711 L HA -0.200 4.140 4.340 0.001 0.000 0.210 711 L C 2.583 179.435 176.870 -0.029 0.000 1.092 711 L CA 1.767 56.591 54.840 -0.028 0.000 0.759 711 L CB -0.335 41.710 42.059 -0.023 0.000 0.903 711 L HN 0.315 nan 8.230 nan 0.000 0.435 712 K N 0.662 121.043 120.400 -0.031 0.000 2.007 712 K HA -0.172 4.148 4.320 0.001 0.000 0.206 712 K C 2.096 178.677 176.600 -0.033 0.000 1.047 712 K CA 1.307 57.576 56.287 -0.030 0.000 0.937 712 K CB -0.050 32.431 32.500 -0.031 0.000 0.718 712 K HN -0.157 nan 8.250 nan 0.000 0.438 713 K N 0.511 120.888 120.400 -0.038 0.000 2.147 713 K HA 0.062 4.382 4.320 0.001 0.000 0.205 713 K C 0.007 176.587 176.600 -0.035 0.000 1.049 713 K CA 0.971 57.234 56.287 -0.041 0.000 0.936 713 K CB -0.498 31.970 32.500 -0.053 0.000 0.722 713 K HN 0.265 nan 8.250 nan 0.000 0.446 714 A N 0.624 123.425 122.820 -0.033 0.000 2.425 714 A HA 0.068 4.388 4.320 0.001 0.000 0.242 714 A C 0.820 178.389 177.584 -0.026 0.000 1.077 714 A CA -0.141 51.880 52.037 -0.027 0.000 0.781 714 A CB 0.230 19.214 19.000 -0.027 0.000 1.020 714 A HN 0.355 nan 8.150 nan 0.000 0.494 715 E N -0.002 120.184 120.200 -0.024 0.000 2.077 715 E HA -0.085 4.265 4.350 0.001 0.000 0.193 715 E C -0.378 176.205 176.600 -0.029 0.000 0.989 715 E CA 1.440 57.825 56.400 -0.025 0.000 0.800 715 E CB -0.169 29.515 29.700 -0.026 0.000 0.746 715 E HN 0.613 nan 8.360 nan 0.000 0.452 716 I N -0.286 120.265 120.570 -0.032 0.000 2.439 716 I HA 0.359 4.529 4.170 0.001 0.000 0.285 716 I C 0.050 176.146 176.117 -0.036 0.000 1.021 716 I CA -0.552 60.727 61.300 -0.036 0.000 1.091 716 I CB 2.160 40.134 38.000 -0.044 0.000 1.242 716 I HN -0.140 nan 8.210 nan 0.000 0.439 717 G N 6.930 115.710 108.800 -0.033 0.000 2.335 717 G HA2 0.743 4.703 3.960 0.001 0.000 0.314 717 G HA3 0.743 4.703 3.960 0.001 0.000 0.314 717 G C -0.538 174.340 174.900 -0.036 0.000 1.129 717 G CA -0.365 44.716 45.100 -0.032 0.000 0.912 717 G HN 0.507 nan 8.290 nan 0.000 0.443 718 I N 2.138 122.684 120.570 -0.040 0.000 2.382 718 I HA 0.503 4.674 4.170 0.001 0.000 0.286 718 I C 0.418 176.515 176.117 -0.033 0.000 1.002 718 I CA -0.677 60.593 61.300 -0.050 0.000 1.135 718 I CB 1.955 39.904 38.000 -0.086 0.000 1.288 718 I HN 0.516 nan 8.210 nan 0.000 0.448 719 A N 7.596 130.401 122.820 -0.026 0.000 2.324 719 A HA 0.800 5.120 4.320 0.001 0.000 0.330 719 A C -0.146 177.435 177.584 -0.006 0.000 1.165 719 A CA -0.750 51.281 52.037 -0.010 0.000 0.813 719 A CB 1.085 20.081 19.000 -0.007 0.000 1.197 719 A HN 0.593 nan 8.150 nan 0.000 0.484 720 M N 2.140 121.746 119.600 0.010 0.000 2.228 720 M HA 0.132 4.613 4.480 0.001 0.000 0.351 720 M C 1.615 177.922 176.300 0.012 0.000 1.233 720 M CA 0.161 55.471 55.300 0.018 0.000 1.129 720 M CB 0.297 32.917 32.600 0.034 0.000 1.604 720 M HN 0.941 nan 8.290 nan 0.000 0.457 721 G N 1.757 110.563 108.800 0.010 0.000 2.469 721 G HA2 -0.187 3.774 3.960 0.001 0.000 0.220 721 G HA3 -0.187 3.774 3.960 0.001 0.000 0.220 721 G C 1.151 176.057 174.900 0.009 0.000 1.136 721 G CA 1.216 46.320 45.100 0.007 0.000 0.759 721 G HN 0.757 nan 8.290 nan 0.000 0.562 722 S N 0.060 115.769 115.700 0.014 0.000 2.614 722 S HA 0.495 4.966 4.470 0.001 0.000 0.230 722 S C 1.196 175.809 174.600 0.021 0.000 0.952 722 S CA 0.125 58.334 58.200 0.015 0.000 0.949 722 S CB 0.474 63.684 63.200 0.017 0.000 0.786 722 S HN 0.481 nan 8.310 nan 0.000 0.478 723 G N 1.788 110.601 108.800 0.022 0.000 2.508 723 G HA2 0.458 4.418 3.960 0.001 0.000 0.278 723 G HA3 0.458 4.418 3.960 0.001 0.000 0.278 723 G C 0.091 175.011 174.900 0.033 0.000 1.389 723 G CA -0.115 45.001 45.100 0.027 0.000 1.050 723 G HN 0.490 nan 8.290 nan 0.000 0.522 724 T N -2.909 111.670 114.554 0.043 0.000 2.904 724 T HA 0.478 4.829 4.350 0.001 0.000 0.290 724 T C 1.564 176.296 174.700 0.055 0.000 1.018 724 T CA 0.360 62.500 62.100 0.067 0.000 1.075 724 T CB 1.526 70.453 68.868 0.098 0.000 0.986 724 T HN 0.848 nan 8.240 nan 0.000 0.523 725 A N 2.229 125.085 122.820 0.060 0.000 1.908 725 A HA -0.024 4.297 4.320 0.001 0.000 0.218 725 A C 2.372 179.985 177.584 0.047 0.000 1.181 725 A CA 1.752 53.813 52.037 0.040 0.000 0.627 725 A CB -1.280 17.736 19.000 0.027 0.000 0.818 725 A HN 0.793 nan 8.150 nan 0.000 0.445 726 V N -0.094 119.871 119.914 0.084 0.000 2.287 726 V HA -0.308 3.812 4.120 0.001 0.000 0.248 726 V C 3.054 179.165 176.094 0.028 0.000 1.053 726 V CA 2.148 64.488 62.300 0.067 0.000 1.027 726 V CB -1.398 30.478 31.823 0.088 0.000 0.646 726 V HN 0.635 nan 8.190 nan 0.000 0.447 727 A N -0.361 122.473 122.820 0.024 0.000 1.902 727 A HA -0.250 4.071 4.320 0.001 0.000 0.217 727 A C 2.300 179.886 177.584 0.003 0.000 1.181 727 A CA 2.107 54.148 52.037 0.007 0.000 0.623 727 A CB -0.449 18.555 19.000 0.007 0.000 0.818 727 A HN 0.566 nan 8.150 nan 0.000 0.443 728 K N -0.573 119.832 120.400 0.008 0.000 2.026 728 K HA -0.122 4.198 4.320 0.001 0.000 0.208 728 K C 2.236 178.834 176.600 -0.004 0.000 1.048 728 K CA 1.870 58.157 56.287 0.001 0.000 0.929 728 K CB -0.471 32.031 32.500 0.002 0.000 0.713 728 K HN 0.712 nan 8.250 nan 0.000 0.439 729 T N -1.149 113.405 114.554 -0.001 0.000 2.929 729 T HA -0.042 4.308 4.350 0.001 0.000 0.271 729 T C 1.736 176.430 174.700 -0.010 0.000 1.085 729 T CA 1.054 63.150 62.100 -0.006 0.000 1.125 729 T CB -0.098 68.768 68.868 -0.003 0.000 0.874 729 T HN 0.152 nan 8.240 nan 0.000 0.494 730 A N 0.417 123.232 122.820 -0.009 0.000 2.345 730 A HA 0.582 4.903 4.320 0.001 0.000 0.225 730 A C 1.103 178.677 177.584 -0.017 0.000 1.243 730 A CA -0.486 51.543 52.037 -0.014 0.000 0.875 730 A CB 0.105 19.097 19.000 -0.014 0.000 0.929 730 A HN 0.446 nan 8.150 nan 0.000 0.502 731 S N -0.864 114.826 115.700 -0.017 0.000 2.664 731 S HA 0.423 4.894 4.470 0.001 0.000 0.304 731 S C 0.330 174.917 174.600 -0.021 0.000 1.099 731 S CA -0.463 57.725 58.200 -0.020 0.000 1.003 731 S CB 1.563 64.751 63.200 -0.020 0.000 1.092 731 S HN 0.295 nan 8.310 nan 0.000 0.525 732 E N 0.525 120.711 120.200 -0.025 0.000 2.250 732 E HA 0.247 4.598 4.350 0.001 0.000 0.192 732 E C -0.141 176.444 176.600 -0.025 0.000 0.986 732 E CA 0.936 57.322 56.400 -0.024 0.000 0.849 732 E CB 0.158 29.843 29.700 -0.026 0.000 0.797 732 E HN 0.491 nan 8.360 nan 0.000 0.482 733 M N -0.466 119.116 119.600 -0.030 0.000 2.531 733 M HA 0.453 4.934 4.480 0.001 0.000 0.286 733 M C -1.357 174.924 176.300 -0.032 0.000 1.232 733 M CA -0.935 54.345 55.300 -0.032 0.000 0.877 733 M CB 3.131 35.705 32.600 -0.044 0.000 1.726 733 M HN -0.394 nan 8.290 nan 0.000 0.463 734 V N 2.869 122.766 119.914 -0.028 0.000 2.638 734 V HA 0.441 4.561 4.120 0.001 0.000 0.306 734 V C -0.615 175.464 176.094 -0.026 0.000 1.052 734 V CA -0.675 61.611 62.300 -0.023 0.000 0.885 734 V CB 2.126 33.941 31.823 -0.014 0.000 0.999 734 V HN 0.695 nan 8.190 nan 0.000 0.424 735 L N 4.157 125.363 121.223 -0.027 0.000 2.358 735 L HA 0.368 4.708 4.340 0.001 0.000 0.274 735 L C 1.725 178.590 176.870 -0.009 0.000 1.136 735 L CA -0.276 54.548 54.840 -0.026 0.000 0.970 735 L CB 0.674 42.712 42.059 -0.036 0.000 1.314 735 L HN 0.856 nan 8.230 nan 0.000 0.427 736 A N 2.175 124.991 122.820 -0.008 0.000 2.042 736 A HA -0.223 4.098 4.320 0.001 0.000 0.222 736 A C 1.602 179.188 177.584 0.004 0.000 1.167 736 A CA 2.049 54.086 52.037 -0.001 0.000 0.649 736 A CB -0.322 18.677 19.000 -0.002 0.000 0.809 736 A HN 0.843 nan 8.150 nan 0.000 0.457 737 D N -2.084 118.319 120.400 0.006 0.000 2.402 737 D HA 0.076 4.717 4.640 0.001 0.000 0.216 737 D C -0.361 175.952 176.300 0.022 0.000 1.128 737 D CA 0.356 54.364 54.000 0.013 0.000 0.833 737 D CB -0.453 40.355 40.800 0.013 0.000 0.971 737 D HN 0.283 nan 8.370 nan 0.000 0.503 738 D N 0.497 120.911 120.400 0.023 0.000 2.931 738 D HA -0.217 4.424 4.640 0.001 0.000 0.228 738 D C -0.310 176.030 176.300 0.067 0.000 1.180 738 D CA 0.653 54.678 54.000 0.042 0.000 0.784 738 D CB -1.472 39.351 40.800 0.039 0.000 1.093 738 D HN 0.423 nan 8.370 nan 0.000 0.421 739 N N -0.075 118.657 118.700 0.053 0.000 2.439 739 N HA 0.077 4.817 4.740 0.001 0.000 0.249 739 N C 0.753 176.321 175.510 0.096 0.000 1.003 739 N CA -0.327 52.768 53.050 0.076 0.000 0.942 739 N CB 0.288 38.802 38.487 0.044 0.000 1.115 739 N HN -0.099 nan 8.380 nan 0.000 0.505 740 F N 2.774 122.716 119.950 -0.013 0.000 2.202 740 F HA -0.182 4.345 4.527 0.001 0.000 0.301 740 F C 2.287 178.079 175.800 -0.014 0.000 1.082 740 F CA 1.231 59.221 58.000 -0.016 0.000 1.313 740 F CB 0.113 39.101 39.000 -0.020 0.000 1.024 740 F HN 0.492 nan 8.300 nan 0.000 0.495 741 S N -0.919 114.858 115.700 0.128 0.000 2.400 741 S HA -0.215 4.255 4.470 0.001 0.000 0.232 741 S C 1.961 176.548 174.600 -0.022 0.000 1.025 741 S CA 1.712 59.945 58.200 0.055 0.000 0.993 741 S CB -0.609 62.623 63.200 0.053 0.000 0.808 741 S HN 0.436 nan 8.310 nan 0.000 0.478 742 T N 2.341 116.868 114.554 -0.045 0.000 2.881 742 T HA 0.025 4.375 4.350 0.001 0.000 0.270 742 T C 1.616 176.249 174.700 -0.112 0.000 1.068 742 T CA 0.846 62.907 62.100 -0.065 0.000 1.131 742 T CB -0.351 68.484 68.868 -0.056 0.000 0.871 742 T HN 0.376 nan 8.240 nan 0.000 0.479 743 I N 0.700 121.147 120.570 -0.204 0.000 2.226 743 I HA -0.144 4.026 4.170 0.001 0.000 0.245 743 I C 2.389 178.414 176.117 -0.153 0.000 1.100 743 I CA 0.926 62.078 61.300 -0.246 0.000 1.374 743 I CB -0.380 37.329 38.000 -0.485 0.000 1.057 743 I HN 0.107 nan 8.210 nan 0.000 0.413 744 V N 1.006 120.852 119.914 -0.114 0.000 2.358 744 V HA -0.258 3.862 4.120 0.001 0.000 0.246 744 V C 2.694 178.763 176.094 -0.042 0.000 1.047 744 V CA 1.896 64.163 62.300 -0.056 0.000 1.035 744 V CB -1.039 30.775 31.823 -0.016 0.000 0.658 744 V HN 0.482 nan 8.190 nan 0.000 0.452 745 A N 0.077 122.872 122.820 -0.041 0.000 1.930 745 A HA -0.046 4.274 4.320 0.001 0.000 0.217 745 A C 2.408 179.971 177.584 -0.035 0.000 1.175 745 A CA 1.890 53.910 52.037 -0.028 0.000 0.627 745 A CB -0.678 18.308 19.000 -0.022 0.000 0.815 745 A HN 0.554 nan 8.150 nan 0.000 0.443 746 A N -0.619 122.170 122.820 -0.052 0.000 1.930 746 A HA 0.049 4.370 4.320 0.001 0.000 0.217 746 A C 2.197 179.752 177.584 -0.048 0.000 1.175 746 A CA 1.631 53.637 52.037 -0.052 0.000 0.627 746 A CB -0.774 18.185 19.000 -0.068 0.000 0.815 746 A HN 0.344 nan 8.150 nan 0.000 0.443 747 V N 0.080 119.962 119.914 -0.053 0.000 2.358 747 V HA -0.268 3.853 4.120 0.001 0.000 0.246 747 V C 2.537 178.613 176.094 -0.031 0.000 1.047 747 V CA 2.319 64.591 62.300 -0.046 0.000 1.035 747 V CB -0.642 31.153 31.823 -0.048 0.000 0.658 747 V HN 0.818 nan 8.190 nan 0.000 0.452 748 E N 0.143 120.328 120.200 -0.024 0.000 2.051 748 E HA -0.308 4.043 4.350 0.001 0.000 0.192 748 E C 2.159 178.753 176.600 -0.010 0.000 0.991 748 E CA 1.675 58.068 56.400 -0.012 0.000 0.799 748 E CB -0.091 29.604 29.700 -0.008 0.000 0.748 748 E HN 0.588 nan 8.360 nan 0.000 0.449 749 E N -0.051 120.139 120.200 -0.017 0.000 2.058 749 E HA -0.136 4.214 4.350 0.001 0.000 0.194 749 E C 1.904 178.496 176.600 -0.013 0.000 0.997 749 E CA 1.713 58.102 56.400 -0.018 0.000 0.801 749 E CB -0.802 28.883 29.700 -0.025 0.000 0.746 749 E HN 0.387 nan 8.360 nan 0.000 0.450 750 G N 0.085 108.876 108.800 -0.016 0.000 2.442 750 G HA2 -0.299 3.662 3.960 0.001 0.000 0.219 750 G HA3 -0.299 3.662 3.960 0.001 0.000 0.219 750 G C 1.643 176.555 174.900 0.019 0.000 1.141 750 G CA 0.899 45.995 45.100 -0.008 0.000 0.763 750 G HN 0.201 nan 8.290 nan 0.000 0.554 751 R N 0.283 120.789 120.500 0.011 0.000 2.090 751 R HA 0.140 4.480 4.340 0.001 0.000 0.228 751 R C 3.012 179.348 176.300 0.061 0.000 1.110 751 R CA 0.958 57.081 56.100 0.038 0.000 0.973 751 R CB -0.265 30.044 30.300 0.016 0.000 0.869 751 R HN 0.348 nan 8.270 nan 0.000 0.440 752 A N 1.380 124.216 122.820 0.027 0.000 1.898 752 A HA -0.102 4.218 4.320 0.001 0.000 0.216 752 A C 2.045 179.626 177.584 -0.004 0.000 1.181 752 A CA 0.988 53.032 52.037 0.011 0.000 0.620 752 A CB -0.260 18.739 19.000 -0.001 0.000 0.819 752 A HN 0.065 nan 8.150 nan 0.000 0.442 753 I N -1.551 119.019 120.570 -0.001 0.000 2.226 753 I HA -0.213 3.957 4.170 0.001 0.000 0.245 753 I C 2.388 178.497 176.117 -0.014 0.000 1.100 753 I CA 1.470 62.758 61.300 -0.020 0.000 1.374 753 I CB -1.516 36.478 38.000 -0.010 0.000 1.057 753 I HN 0.516 nan 8.210 nan 0.000 0.413 754 Y N 2.737 122.984 120.300 -0.089 0.000 2.181 754 Y HA -0.245 4.305 4.550 0.001 0.000 0.288 754 Y C 2.463 178.283 175.900 -0.134 0.000 1.146 754 Y CA 1.692 59.727 58.100 -0.109 0.000 1.164 754 Y CB -0.399 38.014 38.460 -0.078 0.000 0.982 754 Y HN 0.227 nan 8.280 nan 0.000 0.515 755 N N 0.541 119.198 118.700 -0.071 0.000 2.149 755 N HA -0.189 4.551 4.740 0.001 0.000 0.188 755 N C 1.310 176.688 175.510 -0.221 0.000 1.019 755 N CA 1.527 54.496 53.050 -0.135 0.000 0.857 755 N CB -0.496 37.975 38.487 -0.026 0.000 0.997 755 N HN 0.438 nan 8.380 nan 0.000 0.426 756 N N 0.581 119.161 118.700 -0.199 0.000 2.207 756 N HA 0.068 4.809 4.740 0.001 0.000 0.182 756 N C 1.804 177.032 175.510 -0.469 0.000 1.020 756 N CA 0.617 53.549 53.050 -0.197 0.000 0.858 756 N CB -0.221 38.213 38.487 -0.089 0.000 0.991 756 N HN 0.264 nan 8.380 nan 0.000 0.427 757 M N 0.562 119.768 119.600 -0.657 0.000 2.159 757 M HA -0.133 4.348 4.480 0.001 0.000 0.263 757 M C 1.981 177.566 176.300 -1.191 0.000 1.063 757 M CA 1.288 55.785 55.300 -1.338 0.000 1.110 757 M CB -0.185 31.985 32.600 -0.718 0.000 1.374 757 M HN 0.044 nan 8.290 nan 0.000 0.411 758 K N -0.179 119.716 120.400 -0.842 0.000 2.280 758 K HA -0.175 4.145 4.320 0.001 0.000 0.202 758 K C 1.998 178.353 176.600 -0.408 0.000 1.047 758 K CA 1.036 56.940 56.287 -0.637 0.000 0.942 758 K CB 0.255 32.390 32.500 -0.609 0.000 0.739 758 K HN 0.284 nan 8.250 nan 0.000 0.457 759 Q N -0.278 119.284 119.800 -0.396 0.000 2.063 759 Q HA -0.064 4.277 4.340 0.001 0.000 0.194 759 Q C 1.970 177.918 176.000 -0.088 0.000 0.974 759 Q CA 1.190 56.888 55.803 -0.175 0.000 0.827 759 Q CB -0.436 28.244 28.738 -0.098 0.000 0.902 759 Q HN 0.462 nan 8.270 nan 0.000 0.462 760 F N -0.326 119.597 119.950 -0.045 0.000 2.494 760 F HA 0.022 4.549 4.527 0.001 0.000 0.298 760 F C 1.757 177.556 175.800 -0.001 0.000 1.106 760 F CA 0.429 58.437 58.000 0.013 0.000 1.452 760 F CB -0.834 38.156 39.000 -0.018 0.000 1.085 760 F HN -0.055 nan 8.300 nan 0.000 0.569 761 I N 0.271 120.790 120.570 -0.085 0.000 2.333 761 I HA -0.120 4.051 4.170 0.001 0.000 0.246 761 I C 2.574 178.602 176.117 -0.148 0.000 1.106 761 I CA 0.793 62.042 61.300 -0.084 0.000 1.411 761 I CB -0.333 37.494 38.000 -0.288 0.000 1.082 761 I HN 0.042 nan 8.210 nan 0.000 0.420 762 R N -0.260 120.141 120.500 -0.165 0.000 2.075 762 R HA -0.205 4.136 4.340 0.001 0.000 0.232 762 R C 2.366 178.492 176.300 -0.291 0.000 1.126 762 R CA 1.600 57.542 56.100 -0.263 0.000 0.963 762 R CB -0.545 29.682 30.300 -0.122 0.000 0.858 762 R HN 0.292 nan 8.270 nan 0.000 0.435 763 Y N 1.649 121.845 120.300 -0.174 0.000 2.097 763 Y HA -0.231 4.320 4.550 0.001 0.000 0.282 763 Y C 1.869 177.697 175.900 -0.120 0.000 1.152 763 Y CA 1.560 59.593 58.100 -0.111 0.000 1.136 763 Y CB -0.404 38.056 38.460 0.000 0.000 0.975 763 Y HN -0.057 nan 8.280 nan 0.000 0.498 764 L N -0.363 120.759 121.223 -0.168 0.000 1.994 764 L HA -0.246 4.094 4.340 0.001 0.000 0.208 764 L C 2.518 179.233 176.870 -0.258 0.000 1.071 764 L CA 1.768 56.458 54.840 -0.249 0.000 0.745 764 L CB -0.626 41.402 42.059 -0.051 0.000 0.892 764 L HN 0.272 nan 8.230 nan 0.000 0.431 765 I N -1.019 119.406 120.570 -0.242 0.000 2.361 765 I HA -0.280 3.890 4.170 0.001 0.000 0.251 765 I C 2.816 178.780 176.117 -0.256 0.000 1.133 765 I CA 1.064 62.231 61.300 -0.222 0.000 1.413 765 I CB -0.254 37.562 38.000 -0.306 0.000 1.073 765 I HN 0.236 nan 8.210 nan 0.000 0.424 766 S N -0.002 115.455 115.700 -0.404 0.000 2.368 766 S HA -0.231 4.240 4.470 0.001 0.000 0.225 766 S C 2.291 176.730 174.600 -0.269 0.000 1.030 766 S CA 2.031 59.971 58.200 -0.433 0.000 0.999 766 S CB -0.272 62.557 63.200 -0.619 0.000 0.844 766 S HN 0.468 nan 8.310 nan 0.000 0.459 767 S N 1.224 116.738 115.700 -0.310 0.000 2.359 767 S HA -0.135 4.335 4.470 0.001 0.000 0.224 767 S C 1.628 176.140 174.600 -0.147 0.000 1.035 767 S CA 1.927 59.977 58.200 -0.250 0.000 1.018 767 S CB -0.846 62.140 63.200 -0.358 0.000 0.876 767 S HN 0.741 nan 8.310 nan 0.000 0.448 768 N N 0.370 118.995 118.700 -0.125 0.000 2.289 768 N HA -0.042 4.699 4.740 0.001 0.000 0.184 768 N C 1.536 177.016 175.510 -0.049 0.000 1.016 768 N CA 1.163 54.179 53.050 -0.057 0.000 0.872 768 N CB -0.214 38.271 38.487 -0.004 0.000 0.973 768 N HN 0.239 nan 8.380 nan 0.000 0.433 769 V N 0.177 120.045 119.914 -0.076 0.000 2.307 769 V HA -0.138 3.982 4.120 0.001 0.000 0.245 769 V C 2.391 178.451 176.094 -0.056 0.000 1.045 769 V CA 2.099 64.355 62.300 -0.074 0.000 1.024 769 V CB -1.214 30.542 31.823 -0.111 0.000 0.651 769 V HN 0.419 nan 8.190 nan 0.000 0.449 770 G N -0.605 108.162 108.800 -0.055 0.000 2.418 770 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 770 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 770 G C 1.454 176.345 174.900 -0.015 0.000 1.158 770 G CA 0.852 45.934 45.100 -0.030 0.000 0.771 770 G HN 0.562 nan 8.290 nan 0.000 0.545 771 E N -0.191 119.997 120.200 -0.020 0.000 2.118 771 E HA -0.107 4.244 4.350 0.001 0.000 0.195 771 E C 2.670 179.279 176.600 0.014 0.000 0.992 771 E CA 1.035 57.434 56.400 -0.002 0.000 0.804 771 E CB -0.073 29.624 29.700 -0.005 0.000 0.741 771 E HN 0.345 nan 8.360 nan 0.000 0.458 772 V N 0.452 120.369 119.914 0.005 0.000 2.488 772 V HA -0.174 3.947 4.120 0.001 0.000 0.246 772 V C 2.231 178.359 176.094 0.057 0.000 1.046 772 V CA 0.956 63.266 62.300 0.015 0.000 1.053 772 V CB -0.095 31.714 31.823 -0.024 0.000 0.679 772 V HN 0.127 nan 8.190 nan 0.000 0.458 773 V N -0.571 119.369 119.914 0.044 0.000 2.295 773 V HA -0.315 3.805 4.120 0.001 0.000 0.246 773 V C 2.595 178.768 176.094 0.131 0.000 1.049 773 V CA 2.216 64.573 62.300 0.095 0.000 1.024 773 V CB -0.731 31.120 31.823 0.047 0.000 0.648 773 V HN 0.781 nan 8.190 nan 0.000 0.447 774 C N 0.504 119.848 119.300 0.073 0.000 2.413 774 C HA -0.188 4.273 4.460 0.001 0.000 0.278 774 C C 2.609 177.647 174.990 0.079 0.000 1.224 774 C CA 1.139 60.193 59.018 0.060 0.000 1.732 774 C CB -1.066 26.694 27.740 0.033 0.000 2.050 774 C HN 0.528 nan 8.230 nan 0.000 0.463 775 I N 0.492 121.112 120.570 0.084 0.000 2.315 775 I HA -0.139 4.032 4.170 0.001 0.000 0.251 775 I C 2.298 178.493 176.117 0.129 0.000 1.125 775 I CA 1.759 63.109 61.300 0.085 0.000 1.392 775 I CB -1.699 36.343 38.000 0.071 0.000 1.065 775 I HN 0.407 nan 8.210 nan 0.000 0.424 776 F N 1.233 121.186 119.950 0.005 0.000 2.234 776 F HA -0.071 4.456 4.527 0.001 0.000 0.296 776 F C 2.313 178.130 175.800 0.029 0.000 1.089 776 F CA 1.230 59.237 58.000 0.013 0.000 1.343 776 F CB -0.235 38.772 39.000 0.011 0.000 1.040 776 F HN -0.108 nan 8.300 nan 0.000 0.498 777 L N -0.958 120.265 121.223 0.001 0.000 2.072 777 L HA -0.142 4.199 4.340 0.001 0.000 0.205 777 L C 2.040 178.876 176.870 -0.057 0.000 1.079 777 L CA 1.659 56.456 54.840 -0.071 0.000 0.752 777 L CB -0.869 41.205 42.059 0.025 0.000 0.906 777 L HN 0.043 nan 8.230 nan 0.000 0.436 778 T N -1.055 113.498 114.554 -0.001 0.000 3.509 778 T HA 0.278 4.629 4.350 0.001 0.000 0.250 778 T C 0.768 175.485 174.700 0.028 0.000 1.076 778 T CA 0.724 62.840 62.100 0.026 0.000 0.966 778 T CB -0.061 68.835 68.868 0.047 0.000 1.046 778 T HN 0.412 nan 8.240 nan 0.000 0.591 779 A N -0.665 122.134 122.820 -0.035 0.000 1.857 779 A HA 0.723 5.044 4.320 0.001 0.000 0.198 779 A C 2.125 179.667 177.584 -0.069 0.000 1.775 779 A CA 0.661 52.688 52.037 -0.017 0.000 1.281 779 A CB -0.715 18.250 19.000 -0.057 0.000 1.355 779 A HN 0.484 nan 8.150 nan 0.000 0.417 780 A N -0.228 122.448 122.820 -0.240 0.000 1.898 780 A HA 0.264 4.584 4.320 0.001 0.000 0.214 780 A C 1.497 179.004 177.584 -0.127 0.000 1.183 780 A CA 1.296 53.176 52.037 -0.262 0.000 0.622 780 A CB -0.410 18.257 19.000 -0.555 0.000 0.824 780 A HN 0.375 nan 8.150 nan 0.000 0.444 781 L N -0.071 121.096 121.223 -0.094 0.000 2.627 781 L HA 0.218 4.559 4.340 0.001 0.000 0.233 781 L C 1.749 178.596 176.870 -0.038 0.000 1.144 781 L CA 0.911 55.741 54.840 -0.017 0.000 0.892 781 L CB -0.877 41.214 42.059 0.055 0.000 1.039 781 L HN 0.568 nan 8.230 nan 0.000 0.442 782 G N -0.550 108.230 108.800 -0.033 0.000 2.212 782 G HA2 -0.315 3.645 3.960 0.001 0.000 0.267 782 G HA3 -0.315 3.645 3.960 0.001 0.000 0.267 782 G C 0.582 175.532 174.900 0.083 0.000 1.002 782 G CA 0.550 45.631 45.100 -0.033 0.000 0.729 782 G HN 0.349 nan 8.290 nan 0.000 0.517 783 L N 1.058 122.327 121.223 0.077 0.000 2.476 783 L HA 0.377 4.717 4.340 0.001 0.000 0.255 783 L C -1.087 175.850 176.870 0.113 0.000 1.218 783 L CA -1.869 53.015 54.840 0.074 0.000 0.819 783 L CB 0.256 42.327 42.059 0.019 0.000 1.119 783 L HN 0.004 nan 8.230 nan 0.000 0.485 784 P HA 0.056 nan 4.420 nan 0.000 0.278 784 P C -0.986 176.279 177.300 -0.058 0.000 1.238 784 P CA -0.540 62.295 63.100 -0.441 0.000 0.794 784 P CB 0.592 31.767 31.700 -0.874 0.000 0.955 785 E N 1.402 121.607 120.200 0.008 0.000 2.868 785 E HA -0.063 4.287 4.350 0.001 0.000 0.246 785 E C 1.162 177.788 176.600 0.043 0.000 0.962 785 E CA 0.459 56.887 56.400 0.048 0.000 0.955 785 E CB 0.139 29.873 29.700 0.057 0.000 0.903 785 E HN 0.470 nan 8.360 nan 0.000 0.524 786 A N 4.556 127.403 122.820 0.044 0.000 1.984 786 A HA 0.141 4.461 4.320 0.001 0.000 0.214 786 A C 0.786 178.382 177.584 0.019 0.000 1.173 786 A CA 0.543 52.600 52.037 0.035 0.000 0.673 786 A CB 0.500 19.524 19.000 0.040 0.000 0.830 786 A HN 0.497 nan 8.150 nan 0.000 0.453 787 L N 0.173 121.414 121.223 0.030 0.000 2.472 787 L HA 0.532 4.873 4.340 0.001 0.000 0.260 787 L C -0.955 175.940 176.870 0.041 0.000 0.963 787 L CA -0.791 54.071 54.840 0.035 0.000 0.829 787 L CB 2.346 44.428 42.059 0.039 0.000 1.348 787 L HN 0.420 nan 8.230 nan 0.000 0.408 788 I N -0.854 119.745 120.570 0.047 0.000 2.797 788 I HA 0.537 4.708 4.170 0.001 0.000 0.307 788 I C -1.823 174.326 176.117 0.053 0.000 1.033 788 I CA -2.118 59.207 61.300 0.042 0.000 1.071 788 I CB 2.024 40.041 38.000 0.027 0.000 1.255 788 I HN 0.355 nan 8.210 nan 0.000 0.445 789 P HA -0.198 nan 4.420 nan 0.000 0.217 789 P C 1.644 178.984 177.300 0.067 0.000 1.151 789 P CA 1.491 64.622 63.100 0.052 0.000 0.849 789 P CB 0.059 31.783 31.700 0.039 0.000 0.787 790 V N 0.214 120.147 119.914 0.033 0.000 2.490 790 V HA -0.227 3.894 4.120 0.001 0.000 0.250 790 V C 2.835 179.010 176.094 0.135 0.000 1.061 790 V CA 1.873 64.169 62.300 -0.007 0.000 1.064 790 V CB -1.447 30.273 31.823 -0.173 0.000 0.670 790 V HN 0.145 nan 8.190 nan 0.000 0.461 791 Q N -0.433 119.477 119.800 0.183 0.000 2.083 791 Q HA -0.030 4.310 4.340 0.001 0.000 0.198 791 Q C 2.312 178.485 176.000 0.288 0.000 0.969 791 Q CA 1.240 57.227 55.803 0.307 0.000 0.838 791 Q CB -0.164 28.693 28.738 0.198 0.000 0.900 791 Q HN 0.544 nan 8.270 nan 0.000 0.436 792 L N 0.310 121.643 121.223 0.184 0.000 2.017 792 L HA -0.204 4.136 4.340 0.001 0.000 0.208 792 L C 2.293 179.260 176.870 0.161 0.000 1.073 792 L CA 1.002 55.927 54.840 0.142 0.000 0.745 792 L CB -0.510 41.601 42.059 0.087 0.000 0.894 792 L HN 0.263 nan 8.230 nan 0.000 0.432 793 L N -1.053 120.278 121.223 0.180 0.000 2.079 793 L HA -0.290 4.050 4.340 0.001 0.000 0.210 793 L C 2.514 179.520 176.870 0.226 0.000 1.081 793 L CA 1.537 56.481 54.840 0.174 0.000 0.752 793 L CB -0.642 41.521 42.059 0.174 0.000 0.896 793 L HN 0.563 nan 8.230 nan 0.000 0.433 794 W N 0.346 121.753 121.300 0.180 0.000 2.388 794 W HA -0.152 4.509 4.660 0.001 0.000 0.294 794 W C 2.040 178.621 176.519 0.102 0.000 1.212 794 W CA 1.458 58.918 57.345 0.193 0.000 1.271 794 W CB 0.040 29.689 29.460 0.316 0.000 1.126 794 W HN -0.045 nan 8.180 nan 0.000 0.535 795 V N 1.836 121.852 119.914 0.170 0.000 2.323 795 V HA -0.304 3.816 4.120 0.001 0.000 0.244 795 V C 1.741 177.802 176.094 -0.056 0.000 1.041 795 V CA 2.067 64.390 62.300 0.038 0.000 1.025 795 V CB -0.971 30.902 31.823 0.084 0.000 0.656 795 V HN 0.092 nan 8.190 nan 0.000 0.451 796 N N -0.320 118.366 118.700 -0.024 0.000 2.521 796 N HA 0.039 4.780 4.740 0.001 0.000 0.188 796 N C 1.063 176.529 175.510 -0.073 0.000 1.146 796 N CA 0.584 53.606 53.050 -0.046 0.000 0.893 796 N CB 0.530 39.008 38.487 -0.014 0.000 0.975 796 N HN 0.320 nan 8.380 nan 0.000 0.451 797 L N -1.296 119.852 121.223 -0.125 0.000 2.624 797 L HA 0.224 4.565 4.340 0.001 0.000 0.222 797 L C 1.650 178.354 176.870 -0.277 0.000 1.046 797 L CA 0.488 55.233 54.840 -0.159 0.000 0.872 797 L CB 0.249 42.243 42.059 -0.109 0.000 1.190 797 L HN -0.163 nan 8.230 nan 0.000 0.487 798 V N -2.397 117.224 119.914 -0.488 0.000 2.950 798 V HA 0.006 4.127 4.120 0.001 0.000 0.231 798 V C 2.116 177.977 176.094 -0.389 0.000 1.205 798 V CA 1.269 63.221 62.300 -0.580 0.000 1.239 798 V CB -0.136 30.959 31.823 -1.212 0.000 1.050 798 V HN 0.226 nan 8.190 nan 0.000 0.498 799 T N 0.942 115.240 114.554 -0.426 0.000 2.624 799 T HA -0.245 4.105 4.350 0.001 0.000 0.268 799 T C 1.353 176.025 174.700 -0.048 0.000 1.041 799 T CA 2.313 64.325 62.100 -0.146 0.000 1.159 799 T CB -0.306 68.533 68.868 -0.049 0.000 0.863 799 T HN 0.433 nan 8.240 nan 0.000 0.434 800 D N -0.029 120.348 120.400 -0.038 0.000 2.366 800 D HA 0.195 4.836 4.640 0.001 0.000 0.205 800 D C 2.261 178.598 176.300 0.061 0.000 1.022 800 D CA 0.527 54.581 54.000 0.090 0.000 0.868 800 D CB -0.668 40.152 40.800 0.032 0.000 0.953 800 D HN 0.441 nan 8.370 nan 0.000 0.514 801 G N 1.590 110.355 108.800 -0.059 0.000 2.446 801 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 801 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 801 G C 1.525 176.377 174.900 -0.079 0.000 1.168 801 G CA 0.392 45.438 45.100 -0.091 0.000 0.771 801 G HN 0.162 nan 8.290 nan 0.000 0.551 802 L N 1.277 122.462 121.223 -0.063 0.000 1.994 802 L HA -0.014 4.327 4.340 0.001 0.000 0.208 802 L C 0.393 177.253 176.870 -0.017 0.000 1.071 802 L CA 1.859 56.678 54.840 -0.035 0.000 0.745 802 L CB -2.121 39.927 42.059 -0.018 0.000 0.892 802 L HN 0.154 nan 8.230 nan 0.000 0.431 803 P HA -0.145 nan 4.420 nan 0.000 0.216 803 P C 1.628 178.864 177.300 -0.106 0.000 1.150 803 P CA 1.867 64.928 63.100 -0.064 0.000 0.843 803 P CB 0.033 31.686 31.700 -0.078 0.000 0.787 804 A N -1.015 121.789 122.820 -0.027 0.000 1.877 804 A HA -0.185 4.136 4.320 0.001 0.000 0.216 804 A C 2.272 179.745 177.584 -0.186 0.000 1.186 804 A CA 2.431 54.448 52.037 -0.033 0.000 0.620 804 A CB -1.883 17.093 19.000 -0.039 0.000 0.822 804 A HN 0.138 nan 8.150 nan 0.000 0.443 805 T N 0.358 114.787 114.554 -0.208 0.000 2.759 805 T HA -0.057 4.294 4.350 0.001 0.000 0.269 805 T C 2.116 176.824 174.700 0.014 0.000 1.042 805 T CA 1.588 63.575 62.100 -0.188 0.000 1.140 805 T CB -0.408 68.393 68.868 -0.112 0.000 0.864 805 T HN 0.597 nan 8.240 nan 0.000 0.455 806 A N 0.813 123.679 122.820 0.076 0.000 2.015 806 A HA 0.109 4.429 4.320 0.001 0.000 0.219 806 A C 2.226 179.924 177.584 0.189 0.000 1.163 806 A CA 0.894 53.047 52.037 0.193 0.000 0.646 806 A CB -0.672 18.415 19.000 0.145 0.000 0.806 806 A HN 0.484 nan 8.150 nan 0.000 0.448 807 L N -0.784 120.502 121.223 0.104 0.000 2.201 807 L HA -0.078 4.263 4.340 0.001 0.000 0.212 807 L C 2.517 179.486 176.870 0.165 0.000 1.105 807 L CA 0.788 55.698 54.840 0.117 0.000 0.775 807 L CB -0.419 41.706 42.059 0.109 0.000 0.913 807 L HN 0.491 nan 8.230 nan 0.000 0.440 808 G N -1.344 107.570 108.800 0.190 0.000 2.708 808 G HA2 -0.197 3.763 3.960 0.001 0.000 0.210 808 G HA3 -0.197 3.763 3.960 0.001 0.000 0.210 808 G C 0.920 175.707 174.900 -0.188 0.000 1.141 808 G CA 0.038 45.186 45.100 0.079 0.000 0.788 808 G HN 0.269 nan 8.290 nan 0.000 0.531 809 F N 0.508 120.425 119.950 -0.054 0.000 2.653 809 F HA 0.315 4.843 4.527 0.001 0.000 0.304 809 F C 0.739 176.530 175.800 -0.016 0.000 1.092 809 F CA -1.115 56.816 58.000 -0.114 0.000 1.279 809 F CB 0.173 39.001 39.000 -0.288 0.000 1.044 809 F HN -0.097 nan 8.300 nan 0.000 0.564 810 N N 3.239 122.025 118.700 0.143 0.000 2.454 810 N HA 0.039 4.780 4.740 0.001 0.000 0.254 810 N C -2.408 173.157 175.510 0.092 0.000 1.228 810 N CA -0.907 52.209 53.050 0.111 0.000 0.900 810 N CB 0.041 38.563 38.487 0.058 0.000 1.089 810 N HN -0.006 nan 8.380 nan 0.000 0.449 811 P HA 0.133 nan 4.420 nan 0.000 0.271 811 P C -2.337 174.994 177.300 0.052 0.000 1.220 811 P CA -0.808 62.343 63.100 0.083 0.000 0.768 811 P CB 0.022 31.776 31.700 0.089 0.000 0.848 812 P HA 0.132 nan 4.420 nan 0.000 0.272 812 P C -0.220 177.098 177.300 0.029 0.000 1.230 812 P CA -0.036 63.081 63.100 0.028 0.000 0.788 812 P CB 0.800 32.513 31.700 0.022 0.000 0.949 813 D N 0.748 121.163 120.400 0.024 0.000 2.372 813 D HA 0.038 4.678 4.640 0.001 0.000 0.243 813 D C 1.406 177.720 176.300 0.023 0.000 1.297 813 D CA -0.171 53.844 54.000 0.024 0.000 0.958 813 D CB 0.449 41.261 40.800 0.021 0.000 1.114 813 D HN 0.158 nan 8.370 nan 0.000 0.496 814 L N 0.098 121.334 121.223 0.022 0.000 2.221 814 L HA -0.021 4.320 4.340 0.001 0.000 0.202 814 L C 1.619 178.499 176.870 0.017 0.000 1.074 814 L CA 0.807 55.659 54.840 0.020 0.000 0.795 814 L CB -0.475 41.596 42.059 0.020 0.000 0.960 814 L HN 0.404 nan 8.230 nan 0.000 0.458 815 D N 0.060 120.470 120.400 0.016 0.000 2.325 815 D HA -0.086 4.555 4.640 0.001 0.000 0.234 815 D C 1.895 178.202 176.300 0.013 0.000 1.122 815 D CA 0.070 54.078 54.000 0.013 0.000 0.850 815 D CB -0.185 40.622 40.800 0.012 0.000 0.921 815 D HN 0.410 nan 8.370 nan 0.000 0.513 816 I N -0.213 120.366 120.570 0.015 0.000 2.208 816 I HA -0.269 3.901 4.170 0.001 0.000 0.245 816 I C 1.565 177.689 176.117 0.011 0.000 1.097 816 I CA 1.132 62.441 61.300 0.015 0.000 1.363 816 I CB 0.139 38.148 38.000 0.017 0.000 1.051 816 I HN -0.069 nan 8.210 nan 0.000 0.413 817 M N -0.325 119.280 119.600 0.009 0.000 2.495 817 M HA 0.023 4.503 4.480 0.001 0.000 0.237 817 M C 0.581 176.884 176.300 0.006 0.000 1.131 817 M CA 0.907 56.211 55.300 0.006 0.000 1.032 817 M CB -0.916 31.687 32.600 0.005 0.000 1.513 817 M HN 0.171 nan 8.290 nan 0.000 0.488 818 D N -0.073 120.332 120.400 0.008 0.000 2.340 818 D HA 0.128 4.769 4.640 0.001 0.000 0.217 818 D C 0.566 176.870 176.300 0.006 0.000 1.081 818 D CA 0.196 54.200 54.000 0.007 0.000 0.842 818 D CB 0.726 41.531 40.800 0.008 0.000 0.934 818 D HN 0.100 nan 8.370 nan 0.000 0.511 819 R N 0.815 121.319 120.500 0.007 0.000 2.787 819 R HA 0.407 4.747 4.340 0.001 0.000 0.271 819 R C -2.479 173.823 176.300 0.003 0.000 0.993 819 R CA -2.007 54.097 56.100 0.006 0.000 0.993 819 R CB 1.578 31.884 30.300 0.010 0.000 1.155 819 R HN -0.036 nan 8.270 nan 0.000 0.486 820 P HA 0.197 nan 4.420 nan 0.000 0.274 820 P C -2.614 174.682 177.300 -0.006 0.000 1.246 820 P CA -1.340 61.759 63.100 -0.001 0.000 0.795 820 P CB -0.197 31.503 31.700 0.000 0.000 1.006 821 P HA 0.081 nan 4.420 nan 0.000 0.266 821 P C 0.098 177.383 177.300 -0.025 0.000 1.195 821 P CA 0.156 63.240 63.100 -0.026 0.000 0.768 821 P CB 0.248 31.931 31.700 -0.027 0.000 0.838 822 R N 1.191 121.666 120.500 -0.042 0.000 2.539 822 R HA 0.389 4.729 4.340 0.001 0.000 0.275 822 R C 0.169 176.444 176.300 -0.041 0.000 1.077 822 R CA -0.511 55.569 56.100 -0.034 0.000 1.097 822 R CB 0.323 30.597 30.300 -0.043 0.000 1.018 822 R HN 0.319 nan 8.270 nan 0.000 0.483 823 S N 2.478 118.168 115.700 -0.016 0.000 2.549 823 S HA 0.093 4.563 4.470 0.001 0.000 0.286 823 S C -1.560 173.024 174.600 -0.026 0.000 1.314 823 S CA -1.358 56.836 58.200 -0.011 0.000 1.062 823 S CB 0.766 63.971 63.200 0.009 0.000 0.865 823 S HN 0.626 nan 8.310 nan 0.000 0.498 824 P HA -0.015 nan 4.420 nan 0.000 0.218 824 P C 0.744 178.038 177.300 -0.011 0.000 1.149 824 P CA 0.943 64.019 63.100 -0.040 0.000 0.817 824 P CB 0.166 31.851 31.700 -0.026 0.000 0.785 825 K N -0.081 120.323 120.400 0.008 0.000 2.487 825 K HA 0.010 4.330 4.320 0.001 0.000 0.192 825 K C 0.617 177.240 176.600 0.037 0.000 1.027 825 K CA 0.038 56.339 56.287 0.024 0.000 1.054 825 K CB -0.611 31.904 32.500 0.026 0.000 0.824 825 K HN 0.375 nan 8.250 nan 0.000 0.510 826 E N 3.882 124.104 120.200 0.037 0.000 2.498 826 E HA -0.020 4.330 4.350 0.001 0.000 0.252 826 E C -2.017 174.631 176.600 0.080 0.000 1.025 826 E CA -1.314 55.120 56.400 0.058 0.000 0.938 826 E CB 0.444 30.181 29.700 0.062 0.000 0.947 826 E HN -0.014 nan 8.360 nan 0.000 0.478 827 P HA -0.013 nan 4.420 nan 0.000 0.275 827 P C 0.668 178.024 177.300 0.093 0.000 1.227 827 P CA 0.009 63.162 63.100 0.089 0.000 0.781 827 P CB 0.981 32.736 31.700 0.090 0.000 0.906 828 L N 2.395 123.663 121.223 0.075 0.000 2.191 828 L HA 0.049 4.390 4.340 0.001 0.000 0.212 828 L C 1.475 178.383 176.870 0.063 0.000 1.103 828 L CA 1.261 56.123 54.840 0.036 0.000 0.769 828 L CB -0.155 41.882 42.059 -0.038 0.000 0.908 828 L HN 0.458 nan 8.230 nan 0.000 0.438 829 I N -0.960 119.674 120.570 0.108 0.000 2.685 829 I HA 0.354 4.524 4.170 0.001 0.000 0.289 829 I C -1.034 175.224 176.117 0.235 0.000 1.292 829 I CA -0.198 61.205 61.300 0.172 0.000 1.050 829 I CB 1.792 39.902 38.000 0.183 0.000 1.301 829 I HN 0.020 nan 8.210 nan 0.000 0.425 830 S N 4.318 120.167 115.700 0.247 0.000 2.656 830 S HA 0.863 5.333 4.470 0.001 0.000 0.265 830 S C 0.091 174.828 174.600 0.229 0.000 1.132 830 S CA -0.087 58.263 58.200 0.250 0.000 0.819 830 S CB 0.743 64.023 63.200 0.133 0.000 1.119 830 S HN 2.207 nan 8.310 nan 0.000 0.476 831 G N 1.446 110.341 108.800 0.159 0.000 2.583 831 G HA2 -0.375 3.586 3.960 0.001 0.000 0.292 831 G HA3 -0.375 3.586 3.960 0.001 0.000 0.292 831 G C 0.844 175.935 174.900 0.317 0.000 1.203 831 G CA 0.658 45.870 45.100 0.187 0.000 0.987 831 G HN 1.464 nan 8.290 nan 0.000 0.554 832 W N 0.329 121.708 121.300 0.132 0.000 2.358 832 W HA -0.025 4.635 4.660 0.001 0.000 0.303 832 W C 2.430 179.060 176.519 0.185 0.000 1.208 832 W CA 2.059 59.497 57.345 0.155 0.000 1.274 832 W CB -0.322 29.189 29.460 0.084 0.000 1.138 832 W HN 0.493 nan 8.180 nan 0.000 0.515 833 L N 0.948 122.235 121.223 0.107 0.000 2.127 833 L HA -0.208 4.133 4.340 0.001 0.000 0.211 833 L C 2.401 179.258 176.870 -0.021 0.000 1.089 833 L CA 2.054 56.847 54.840 -0.078 0.000 0.757 833 L CB -1.459 40.650 42.059 0.083 0.000 0.899 833 L HN 0.041 nan 8.230 nan 0.000 0.434 834 F N -0.818 119.137 119.950 0.009 0.000 2.026 834 F HA -0.313 4.214 4.527 0.001 0.000 0.296 834 F C 2.289 178.080 175.800 -0.015 0.000 1.133 834 F CA 2.153 60.186 58.000 0.055 0.000 1.188 834 F CB -0.675 38.380 39.000 0.092 0.000 0.968 834 F HN 0.171 nan 8.300 nan 0.000 0.476 835 F N 1.384 121.380 119.950 0.076 0.000 2.095 835 F HA -0.200 4.328 4.527 0.001 0.000 0.298 835 F C 2.757 178.289 175.800 -0.447 0.000 1.104 835 F CA 2.190 60.099 58.000 -0.150 0.000 1.232 835 F CB -0.728 38.163 39.000 -0.181 0.000 0.987 835 F HN -0.049 nan 8.300 nan 0.000 0.475 836 R N -0.893 119.184 120.500 -0.705 0.000 2.103 836 R HA -0.250 4.090 4.340 0.001 0.000 0.242 836 R C 2.040 177.994 176.300 -0.577 0.000 1.142 836 R CA 2.254 57.855 56.100 -0.833 0.000 0.960 836 R CB -0.820 28.911 30.300 -0.948 0.000 0.858 836 R HN 0.479 nan 8.270 nan 0.000 0.439 837 Y N -1.168 118.905 120.300 -0.378 0.000 2.511 837 Y HA -0.032 4.519 4.550 0.001 0.000 0.279 837 Y C 2.021 177.701 175.900 -0.368 0.000 1.157 837 Y CA -0.113 57.803 58.100 -0.308 0.000 1.300 837 Y CB 0.308 38.621 38.460 -0.244 0.000 1.052 837 Y HN 0.146 nan 8.280 nan 0.000 0.529 838 M N -0.042 119.346 119.600 -0.353 0.000 2.288 838 M HA -0.007 4.473 4.480 0.001 0.000 0.266 838 M C 2.061 178.146 176.300 -0.358 0.000 1.072 838 M CA 1.514 56.576 55.300 -0.396 0.000 1.132 838 M CB -0.186 32.154 32.600 -0.434 0.000 1.386 838 M HN 0.141 nan 8.290 nan 0.000 0.432 839 A N 0.214 122.749 122.820 -0.475 0.000 1.855 839 A HA 0.008 4.329 4.320 0.001 0.000 0.213 839 A C 1.908 179.395 177.584 -0.160 0.000 1.195 839 A CA 1.176 52.992 52.037 -0.369 0.000 0.610 839 A CB -0.777 17.926 19.000 -0.495 0.000 0.837 839 A HN 0.446 nan 8.150 nan 0.000 0.444 840 I N 0.643 121.130 120.570 -0.139 0.000 2.300 840 I HA -0.249 3.922 4.170 0.001 0.000 0.252 840 I C 2.514 178.652 176.117 0.035 0.000 1.119 840 I CA 1.621 62.910 61.300 -0.019 0.000 1.384 840 I CB -2.010 36.016 38.000 0.044 0.000 1.062 840 I HN 0.369 nan 8.210 nan 0.000 0.426 841 G N 0.637 109.422 108.800 -0.026 0.000 2.404 841 G HA2 -0.124 3.836 3.960 0.001 0.000 0.214 841 G HA3 -0.124 3.836 3.960 0.001 0.000 0.214 841 G C 1.775 176.672 174.900 -0.006 0.000 1.189 841 G CA 0.753 45.834 45.100 -0.032 0.000 0.789 841 G HN 0.450 nan 8.290 nan 0.000 0.533 842 G N -0.102 108.685 108.800 -0.021 0.000 2.469 842 G HA2 -0.319 3.641 3.960 0.001 0.000 0.219 842 G HA3 -0.319 3.641 3.960 0.001 0.000 0.219 842 G C 1.629 176.555 174.900 0.044 0.000 1.150 842 G CA 1.255 46.358 45.100 0.005 0.000 0.763 842 G HN 0.412 nan 8.290 nan 0.000 0.561 843 Y N 1.267 121.535 120.300 -0.053 0.000 2.070 843 Y HA -0.178 4.373 4.550 0.001 0.000 0.280 843 Y C 2.967 178.853 175.900 -0.024 0.000 1.148 843 Y CA 1.858 59.936 58.100 -0.037 0.000 1.125 843 Y CB -0.546 37.889 38.460 -0.043 0.000 0.975 843 Y HN 0.037 nan 8.280 nan 0.000 0.492 844 V N 0.102 120.049 119.914 0.055 0.000 2.380 844 V HA -0.324 3.797 4.120 0.001 0.000 0.251 844 V C 2.553 178.601 176.094 -0.076 0.000 1.063 844 V CA 1.978 64.261 62.300 -0.028 0.000 1.055 844 V CB -1.648 30.190 31.823 0.026 0.000 0.657 844 V HN 0.660 nan 8.190 nan 0.000 0.455 845 G N -0.994 107.780 108.800 -0.042 0.000 2.471 845 G HA2 -0.042 3.918 3.960 0.001 0.000 0.219 845 G HA3 -0.042 3.918 3.960 0.001 0.000 0.219 845 G C 1.572 176.447 174.900 -0.042 0.000 1.125 845 G CA 0.970 46.058 45.100 -0.020 0.000 0.775 845 G HN 0.629 nan 8.290 nan 0.000 0.548 846 A N 0.590 123.347 122.820 -0.105 0.000 1.973 846 A HA 0.619 4.939 4.320 0.001 0.000 0.210 846 A C 2.645 180.120 177.584 -0.182 0.000 1.200 846 A CA 1.362 53.328 52.037 -0.119 0.000 0.707 846 A CB -0.424 18.500 19.000 -0.126 0.000 0.862 846 A HN 0.542 nan 8.150 nan 0.000 0.461 847 A N 0.240 122.864 122.820 -0.327 0.000 1.972 847 A HA -0.075 4.246 4.320 0.001 0.000 0.219 847 A C 2.370 179.860 177.584 -0.157 0.000 1.169 847 A CA 2.441 54.283 52.037 -0.325 0.000 0.635 847 A CB -1.116 17.598 19.000 -0.476 0.000 0.810 847 A HN 0.664 nan 8.150 nan 0.000 0.446 848 T N -3.086 111.404 114.554 -0.108 0.000 2.809 848 T HA -0.041 4.310 4.350 0.001 0.000 0.260 848 T C 1.704 176.396 174.700 -0.013 0.000 1.039 848 T CA 1.303 63.373 62.100 -0.051 0.000 1.141 848 T CB -0.749 68.100 68.868 -0.032 0.000 0.869 848 T HN 0.049 nan 8.240 nan 0.000 0.437 849 V N 2.080 121.994 119.914 -0.002 0.000 2.358 849 V HA 0.044 4.164 4.120 0.001 0.000 0.246 849 V C 3.102 179.240 176.094 0.073 0.000 1.047 849 V CA 1.825 64.150 62.300 0.042 0.000 1.035 849 V CB -1.477 30.372 31.823 0.044 0.000 0.658 849 V HN 0.686 nan 8.190 nan 0.000 0.452 850 G N -0.310 108.514 108.800 0.040 0.000 2.408 850 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 850 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 850 G C 1.728 176.705 174.900 0.128 0.000 1.150 850 G CA 0.924 46.069 45.100 0.075 0.000 0.776 850 G HN 0.601 nan 8.290 nan 0.000 0.542 851 A N 0.803 123.658 122.820 0.058 0.000 2.019 851 A HA 0.355 4.676 4.320 0.001 0.000 0.219 851 A C 2.674 180.374 177.584 0.193 0.000 1.164 851 A CA 2.068 54.156 52.037 0.084 0.000 0.644 851 A CB -0.427 18.558 19.000 -0.024 0.000 0.805 851 A HN 0.653 nan 8.150 nan 0.000 0.449 852 A N -0.370 122.530 122.820 0.133 0.000 1.878 852 A HA 0.374 4.694 4.320 0.001 0.000 0.213 852 A C 2.455 180.165 177.584 0.210 0.000 1.192 852 A CA 1.424 53.521 52.037 0.100 0.000 0.619 852 A CB -0.936 18.112 19.000 0.081 0.000 0.837 852 A HN 0.945 nan 8.150 nan 0.000 0.446 853 A N -1.355 121.636 122.820 0.284 0.000 1.972 853 A HA -0.158 4.163 4.320 0.001 0.000 0.219 853 A C 1.924 179.743 177.584 0.391 0.000 1.169 853 A CA 1.550 53.804 52.037 0.361 0.000 0.635 853 A CB -0.894 18.283 19.000 0.295 0.000 0.810 853 A HN 0.850 nan 8.150 nan 0.000 0.446 854 W N -0.653 120.760 121.300 0.189 0.000 2.335 854 W HA -0.222 4.438 4.660 0.001 0.000 0.311 854 W C 1.981 178.620 176.519 0.199 0.000 1.213 854 W CA 1.873 59.338 57.345 0.200 0.000 1.274 854 W CB -0.680 28.845 29.460 0.108 0.000 1.148 854 W HN 0.479 nan 8.180 nan 0.000 0.498 855 W N -0.225 121.006 121.300 -0.116 0.000 2.363 855 W HA -0.136 4.524 4.660 0.001 0.000 0.296 855 W C 1.783 178.081 176.519 -0.368 0.000 1.212 855 W CA 1.931 59.003 57.345 -0.455 0.000 1.260 855 W CB -0.829 28.381 29.460 -0.417 0.000 1.131 855 W HN -0.148 nan 8.180 nan 0.000 0.530 856 F N -0.570 119.426 119.950 0.078 0.000 2.816 856 F HA 0.020 4.548 4.527 0.001 0.000 0.302 856 F C 1.726 177.427 175.800 -0.164 0.000 1.178 856 F CA 0.372 58.345 58.000 -0.044 0.000 1.421 856 F CB -0.017 39.060 39.000 0.129 0.000 1.114 856 F HN -0.074 nan 8.300 nan 0.000 0.573 857 M N -3.062 116.488 119.600 -0.083 0.000 1.978 857 M HA 0.068 4.549 4.480 0.001 0.000 0.183 857 M C 0.478 176.497 176.300 -0.467 0.000 1.661 857 M CA 0.445 55.606 55.300 -0.232 0.000 0.926 857 M CB 0.109 32.640 32.600 -0.115 0.000 1.530 857 M HN -0.130 nan 8.290 nan 0.000 0.591 858 Y N 0.910 121.007 120.300 -0.338 0.000 2.457 858 Y HA 0.556 5.106 4.550 0.001 0.000 0.263 858 Y C 1.172 176.720 175.900 -0.586 0.000 1.164 858 Y CA -0.462 57.433 58.100 -0.341 0.000 1.274 858 Y CB -0.431 37.959 38.460 -0.116 0.000 1.097 858 Y HN 0.128 nan 8.280 nan 0.000 0.523 859 A N 0.722 123.042 122.820 -0.834 0.000 2.296 859 A HA 0.292 4.613 4.320 0.001 0.000 0.264 859 A C 0.406 177.651 177.584 -0.565 0.000 1.097 859 A CA -0.434 51.025 52.037 -0.963 0.000 0.811 859 A CB 0.264 18.478 19.000 -1.309 0.000 1.072 859 A HN 0.435 nan 8.150 nan 0.000 0.495 860 E N 0.137 120.097 120.200 -0.399 0.000 2.947 860 E HA 0.208 4.558 4.350 0.001 0.000 0.229 860 E C -1.037 175.411 176.600 -0.254 0.000 1.158 860 E CA -0.075 56.170 56.400 -0.257 0.000 1.441 860 E CB 0.263 29.893 29.700 -0.117 0.000 1.414 860 E HN 0.587 nan 8.360 nan 0.000 0.432 861 D N -0.141 119.993 120.400 -0.443 0.000 2.475 861 D HA 0.094 4.734 4.640 0.001 0.000 0.306 861 D C 0.641 176.589 176.300 -0.586 0.000 1.304 861 D CA 0.098 53.890 54.000 -0.347 0.000 0.862 861 D CB 1.645 42.412 40.800 -0.056 0.000 1.306 861 D HN 0.328 nan 8.370 nan 0.000 0.494 862 G N 2.419 110.714 108.800 -0.840 0.000 4.180 862 G HA2 0.160 4.121 3.960 0.001 0.000 0.234 862 G HA3 0.160 4.121 3.960 0.001 0.000 0.234 862 G C -3.000 171.525 174.900 -0.625 0.000 3.778 862 G CA -0.643 43.996 45.100 -0.768 0.000 0.598 862 G HN -0.168 nan 8.290 nan 0.000 0.220 863 P HA 0.377 nan 4.420 nan 0.000 0.266 863 P C 0.835 178.013 177.300 -0.204 0.000 1.186 863 P CA 0.847 63.752 63.100 -0.325 0.000 0.767 863 P CB 1.302 32.847 31.700 -0.258 0.000 0.820 864 G N 0.148 108.861 108.800 -0.144 0.000 3.022 864 G HA2 0.442 4.402 3.960 0.001 0.000 0.284 864 G HA3 0.442 4.402 3.960 0.001 0.000 0.284 864 G C -1.047 173.834 174.900 -0.031 0.000 1.375 864 G CA -0.707 44.366 45.100 -0.045 0.000 0.902 864 G HN 0.317 nan 8.290 nan 0.000 0.538 865 V N 1.609 121.544 119.914 0.035 0.000 2.420 865 V HA 0.089 4.210 4.120 0.001 0.000 0.274 865 V C 1.924 178.071 176.094 0.087 0.000 1.003 865 V CA 0.970 63.315 62.300 0.074 0.000 1.092 865 V CB 0.227 32.106 31.823 0.093 0.000 1.002 865 V HN 0.953 nan 8.190 nan 0.000 0.473 866 T N 1.130 115.733 114.554 0.082 0.000 3.228 866 T HA -0.078 4.273 4.350 0.001 0.000 0.261 866 T C 0.672 175.402 174.700 0.049 0.000 1.171 866 T CA 0.778 62.868 62.100 -0.016 0.000 1.056 866 T CB -0.467 68.326 68.868 -0.125 0.000 0.938 866 T HN 0.574 nan 8.240 nan 0.000 0.539 867 Y N 0.386 120.702 120.300 0.025 0.000 2.708 867 Y HA 0.348 4.899 4.550 0.001 0.000 0.287 867 Y C 0.956 176.932 175.900 0.127 0.000 1.145 867 Y CA -1.415 56.719 58.100 0.056 0.000 1.249 867 Y CB -0.607 37.861 38.460 0.013 0.000 1.152 867 Y HN 0.476 nan 8.280 nan 0.000 0.532 868 H N -0.657 118.467 119.070 0.091 0.000 3.047 868 H HA -0.216 4.340 4.556 0.001 0.000 0.263 868 H C 1.259 176.594 175.328 0.012 0.000 1.168 868 H CA 0.923 56.999 56.048 0.047 0.000 1.152 868 H CB -0.772 29.004 29.762 0.024 0.000 1.278 868 H HN 0.281 nan 8.280 nan 0.000 0.339 869 Q N 0.002 119.833 119.800 0.052 0.000 2.515 869 Q HA 0.025 4.365 4.340 0.001 0.000 0.212 869 Q C 2.174 178.117 176.000 -0.093 0.000 0.970 869 Q CA 0.798 56.607 55.803 0.010 0.000 0.941 869 Q CB -0.115 28.658 28.738 0.058 0.000 0.998 869 Q HN 0.601 nan 8.270 nan 0.000 0.518 870 L N 0.358 121.491 121.223 -0.151 0.000 2.450 870 L HA -0.081 4.260 4.340 0.001 0.000 0.224 870 L C 1.595 178.337 176.870 -0.214 0.000 1.149 870 L CA 1.488 56.230 54.840 -0.163 0.000 0.816 870 L CB -0.444 41.529 42.059 -0.143 0.000 0.932 870 L HN 0.018 nan 8.230 nan 0.000 0.449 871 T N -1.178 113.147 114.554 -0.380 0.000 2.867 871 T HA -0.102 4.248 4.350 0.001 0.000 0.268 871 T C 1.121 175.507 174.700 -0.523 0.000 1.057 871 T CA 1.393 63.224 62.100 -0.447 0.000 1.136 871 T CB -0.390 68.093 68.868 -0.642 0.000 0.874 871 T HN 0.461 nan 8.240 nan 0.000 0.466 872 H N 1.043 119.962 119.070 -0.252 0.000 2.610 872 H HA 0.184 4.741 4.556 0.001 0.000 0.302 872 H C 1.493 176.528 175.328 -0.488 0.000 1.063 872 H CA -0.476 55.354 56.048 -0.364 0.000 1.159 872 H CB -0.815 28.794 29.762 -0.254 0.000 1.427 872 H HN 0.566 nan 8.280 nan 0.000 0.553 873 F N -0.442 119.178 119.950 -0.550 0.000 2.250 873 F HA -0.178 4.350 4.527 0.001 0.000 0.301 873 F C 1.983 177.394 175.800 -0.648 0.000 1.077 873 F CA 0.658 58.047 58.000 -1.017 0.000 1.348 873 F CB -0.411 37.544 39.000 -1.742 0.000 1.040 873 F HN -0.025 nan 8.300 nan 0.000 0.509 874 M N 0.749 119.572 119.600 -1.295 0.000 2.149 874 M HA -0.173 4.308 4.480 0.001 0.000 0.261 874 M C 1.076 177.120 176.300 -0.426 0.000 1.064 874 M CA 1.496 56.284 55.300 -0.854 0.000 1.102 874 M CB -1.125 30.968 32.600 -0.844 0.000 1.369 874 M HN 0.373 nan 8.290 nan 0.000 0.408 875 Q N -0.962 118.609 119.800 -0.381 0.000 3.170 875 Q HA 0.029 4.370 4.340 0.001 0.000 0.346 875 Q C 1.210 177.089 176.000 -0.202 0.000 1.333 875 Q CA -0.414 55.222 55.803 -0.278 0.000 0.958 875 Q CB 0.045 28.592 28.738 -0.318 0.000 1.600 875 Q HN 0.404 nan 8.270 nan 0.000 0.482 876 c N -0.857 117.664 118.600 -0.131 0.000 2.563 876 c HA 0.040 4.611 4.570 0.001 0.000 0.346 876 c C 2.211 176.310 174.090 0.016 0.000 1.334 876 c CA 0.662 56.970 56.329 -0.035 0.000 1.938 876 c CB 0.138 42.701 42.510 0.088 0.000 2.445 876 c HN 0.572 nan 8.230 nan 0.000 0.541 877 T N 0.152 114.716 114.554 0.017 0.000 3.014 877 T HA -0.061 4.290 4.350 0.001 0.000 0.263 877 T C 1.554 176.262 174.700 0.014 0.000 1.078 877 T CA 1.455 63.584 62.100 0.047 0.000 1.135 877 T CB -0.128 68.763 68.868 0.037 0.000 0.895 877 T HN 0.581 nan 8.240 nan 0.000 0.480 878 E N 1.837 122.013 120.200 -0.040 0.000 2.047 878 E HA -0.074 4.276 4.350 0.001 0.000 0.191 878 E C 0.122 176.697 176.600 -0.042 0.000 0.987 878 E CA 1.001 57.365 56.400 -0.060 0.000 0.799 878 E CB 0.195 29.828 29.700 -0.113 0.000 0.752 878 E HN 0.231 nan 8.360 nan 0.000 0.449 879 D N -0.609 119.753 120.400 -0.062 0.000 2.468 879 D HA 0.024 4.664 4.640 0.001 0.000 0.272 879 D C 0.153 176.502 176.300 0.082 0.000 1.221 879 D CA -0.192 53.810 54.000 0.004 0.000 0.860 879 D CB 0.520 41.264 40.800 -0.094 0.000 1.190 879 D HN 0.239 nan 8.370 nan 0.000 0.509 880 H N 2.754 121.836 119.070 0.019 0.000 2.290 880 H HA -0.040 4.517 4.556 0.001 0.000 0.298 880 H C -0.991 174.361 175.328 0.039 0.000 1.087 880 H CA 1.361 57.430 56.048 0.036 0.000 1.291 880 H CB -0.377 29.397 29.762 0.020 0.000 1.369 880 H HN 0.224 nan 8.280 nan 0.000 0.492 881 P HA -0.104 nan 4.420 nan 0.000 0.236 881 P C 0.739 178.007 177.300 -0.052 0.000 1.172 881 P CA 0.882 64.058 63.100 0.127 0.000 0.759 881 P CB -0.149 31.573 31.700 0.037 0.000 0.843 882 H N 0.670 119.661 119.070 -0.131 0.000 2.840 882 H HA -0.053 4.503 4.556 0.001 0.000 0.300 882 H C 0.342 175.289 175.328 -0.635 0.000 1.020 882 H CA 2.009 57.890 56.048 -0.278 0.000 1.081 882 H CB -0.452 29.328 29.762 0.030 0.000 1.510 882 H HN 0.074 nan 8.280 nan 0.000 0.756 883 F N -0.259 119.753 119.950 0.103 0.000 2.556 883 F HA 0.244 4.772 4.527 0.001 0.000 0.384 883 F C 0.478 176.280 175.800 0.004 0.000 1.493 883 F CA -0.385 57.627 58.000 0.019 0.000 1.119 883 F CB 0.712 39.720 39.000 0.013 0.000 1.280 883 F HN 0.134 nan 8.300 nan 0.000 0.525 884 E N 0.270 120.503 120.200 0.056 0.000 2.933 884 E HA 0.498 4.849 4.350 0.001 0.000 0.301 884 E C 1.602 178.176 176.600 -0.043 0.000 0.836 884 E CA 0.728 57.106 56.400 -0.036 0.000 1.213 884 E CB -0.526 29.004 29.700 -0.282 0.000 2.349 884 E HN 0.173 nan 8.360 nan 0.000 0.558 885 G N 1.359 110.113 108.800 -0.077 0.000 2.130 885 G HA2 -0.168 3.793 3.960 0.001 0.000 0.216 885 G HA3 -0.168 3.793 3.960 0.001 0.000 0.216 885 G C 0.121 175.053 174.900 0.053 0.000 0.999 885 G CA 0.646 45.783 45.100 0.062 0.000 0.686 885 G HN 0.250 nan 8.290 nan 0.000 0.515 886 L N -4.437 116.790 121.223 0.008 0.000 2.765 886 L HA 0.812 5.153 4.340 0.001 0.000 0.263 886 L C -0.674 176.225 176.870 0.048 0.000 1.068 886 L CA -1.425 53.427 54.840 0.020 0.000 0.903 886 L CB 0.945 42.973 42.059 -0.051 0.000 1.512 886 L HN -0.041 nan 8.230 nan 0.000 0.404 887 D N 0.054 120.474 120.400 0.033 0.000 2.443 887 D HA 0.092 4.732 4.640 0.001 0.000 0.239 887 D C 0.523 176.829 176.300 0.009 0.000 1.136 887 D CA 0.019 54.048 54.000 0.049 0.000 0.879 887 D CB 1.612 42.424 40.800 0.020 0.000 1.195 887 D HN 0.697 nan 8.370 nan 0.000 0.443 888 c N 2.555 121.208 118.600 0.088 0.000 2.539 888 c HA 0.034 4.605 4.570 0.001 0.000 0.268 888 c C 1.931 176.116 174.090 0.158 0.000 1.395 888 c CA -0.185 56.240 56.329 0.160 0.000 1.757 888 c CB -0.790 41.837 42.510 0.195 0.000 1.851 888 c HN 0.675 nan 8.230 nan 0.000 0.545 889 E N 0.516 120.760 120.200 0.075 0.000 2.445 889 E HA 0.008 4.358 4.350 0.001 0.000 0.189 889 E C 1.567 178.180 176.600 0.022 0.000 1.069 889 E CA -0.032 56.410 56.400 0.071 0.000 0.871 889 E CB 0.036 29.767 29.700 0.053 0.000 0.991 889 E HN 0.572 nan 8.360 nan 0.000 0.481 890 I N -0.364 120.144 120.570 -0.103 0.000 2.716 890 I HA -0.079 4.092 4.170 0.001 0.000 0.259 890 I C 0.608 176.648 176.117 -0.128 0.000 1.172 890 I CA 0.831 62.036 61.300 -0.159 0.000 1.478 890 I CB 0.092 37.870 38.000 -0.370 0.000 1.104 890 I HN 0.066 nan 8.210 nan 0.000 0.439 891 F N 0.932 120.903 119.950 0.036 0.000 2.697 891 F HA 0.197 4.724 4.527 0.001 0.000 0.297 891 F C 1.297 177.078 175.800 -0.031 0.000 1.203 891 F CA 0.205 58.113 58.000 -0.153 0.000 1.421 891 F CB -0.301 38.481 39.000 -0.364 0.000 1.033 891 F HN 0.143 nan 8.300 nan 0.000 0.512 892 E N -0.245 120.056 120.200 0.169 0.000 2.753 892 E HA 0.251 4.601 4.350 0.001 0.000 0.218 892 E C 0.569 177.192 176.600 0.038 0.000 0.956 892 E CA -0.275 56.186 56.400 0.101 0.000 1.244 892 E CB 0.602 30.356 29.700 0.089 0.000 1.114 892 E HN 0.188 nan 8.360 nan 0.000 0.530 893 A N 2.304 125.146 122.820 0.038 0.000 2.531 893 A HA 0.130 4.451 4.320 0.001 0.000 0.236 893 A C -1.702 175.733 177.584 -0.248 0.000 1.062 893 A CA -0.716 51.253 52.037 -0.113 0.000 0.760 893 A CB 0.104 19.004 19.000 -0.168 0.000 0.995 893 A HN -0.095 nan 8.150 nan 0.000 0.501 894 P HA -0.045 nan 4.420 nan 0.000 0.225 894 P C 0.786 177.835 177.300 -0.418 0.000 1.156 894 P CA 0.955 63.899 63.100 -0.260 0.000 0.787 894 P CB 0.278 31.867 31.700 -0.185 0.000 0.802 895 E N 0.417 120.217 120.200 -0.667 0.000 2.038 895 E HA -0.159 4.191 4.350 0.001 0.000 0.195 895 E C -0.383 175.621 176.600 -0.994 0.000 1.000 895 E CA 1.999 57.832 56.400 -0.946 0.000 0.803 895 E CB -2.302 26.462 29.700 -1.559 0.000 0.750 895 E HN 0.413 nan 8.360 nan 0.000 0.448 896 P HA -0.182 nan 4.420 nan 0.000 0.215 896 P C 1.372 178.455 177.300 -0.361 0.000 1.153 896 P CA 1.637 64.298 63.100 -0.733 0.000 0.853 896 P CB -0.044 31.131 31.700 -0.875 0.000 0.788 897 M N -0.750 118.674 119.600 -0.294 0.000 2.099 897 M HA -0.091 4.389 4.480 0.001 0.000 0.262 897 M C 2.241 178.447 176.300 -0.157 0.000 1.067 897 M CA 2.220 57.426 55.300 -0.157 0.000 1.124 897 M CB -1.642 30.894 32.600 -0.107 0.000 1.353 897 M HN -0.069 nan 8.290 nan 0.000 0.410 898 T N 0.768 115.191 114.554 -0.218 0.000 2.759 898 T HA -0.142 4.209 4.350 0.001 0.000 0.269 898 T C 1.866 176.435 174.700 -0.218 0.000 1.042 898 T CA 1.142 63.117 62.100 -0.207 0.000 1.140 898 T CB -0.110 68.600 68.868 -0.263 0.000 0.864 898 T HN 0.248 nan 8.240 nan 0.000 0.455 899 M N 0.974 120.430 119.600 -0.240 0.000 2.086 899 M HA -0.003 4.477 4.480 0.001 0.000 0.261 899 M C 2.829 179.052 176.300 -0.129 0.000 1.067 899 M CA 1.577 56.765 55.300 -0.186 0.000 1.116 899 M CB -1.340 31.204 32.600 -0.093 0.000 1.348 899 M HN 0.334 nan 8.290 nan 0.000 0.407 900 A N 0.004 122.766 122.820 -0.095 0.000 1.877 900 A HA -0.180 4.141 4.320 0.001 0.000 0.216 900 A C 2.176 179.731 177.584 -0.049 0.000 1.186 900 A CA 1.464 53.467 52.037 -0.057 0.000 0.620 900 A CB -1.011 17.969 19.000 -0.034 0.000 0.822 900 A HN 0.429 nan 8.150 nan 0.000 0.443 901 L N -0.037 121.162 121.223 -0.039 0.000 2.042 901 L HA -0.114 4.226 4.340 0.001 0.000 0.210 901 L C 2.486 179.339 176.870 -0.030 0.000 1.076 901 L CA 2.531 57.371 54.840 0.000 0.000 0.749 901 L CB -0.633 41.455 42.059 0.049 0.000 0.893 901 L HN 0.281 nan 8.230 nan 0.000 0.432 902 S N -1.461 114.203 115.700 -0.060 0.000 2.419 902 S HA -0.116 4.355 4.470 0.001 0.000 0.233 902 S C 1.898 176.464 174.600 -0.057 0.000 1.016 902 S CA 1.170 59.308 58.200 -0.103 0.000 0.974 902 S CB -0.233 62.771 63.200 -0.328 0.000 0.786 902 S HN 0.346 nan 8.310 nan 0.000 0.492 903 V N 1.429 121.308 119.914 -0.059 0.000 2.323 903 V HA -0.084 4.037 4.120 0.001 0.000 0.244 903 V C 2.182 178.267 176.094 -0.015 0.000 1.041 903 V CA 1.306 63.589 62.300 -0.028 0.000 1.025 903 V CB -0.581 31.207 31.823 -0.057 0.000 0.656 903 V HN 0.371 nan 8.190 nan 0.000 0.451 904 L N 0.196 121.402 121.223 -0.027 0.000 1.970 904 L HA -0.145 4.195 4.340 0.001 0.000 0.212 904 L C 2.407 179.265 176.870 -0.019 0.000 1.071 904 L CA 2.032 56.861 54.840 -0.017 0.000 0.751 904 L CB -0.686 41.365 42.059 -0.013 0.000 0.889 904 L HN 0.121 nan 8.230 nan 0.000 0.432 905 V N -0.438 119.441 119.914 -0.059 0.000 2.252 905 V HA -0.386 3.735 4.120 0.001 0.000 0.249 905 V C 2.494 178.563 176.094 -0.043 0.000 1.056 905 V CA 2.490 64.733 62.300 -0.095 0.000 1.022 905 V CB -1.268 30.365 31.823 -0.316 0.000 0.641 905 V HN 0.610 nan 8.190 nan 0.000 0.445 906 T N 0.015 114.557 114.554 -0.019 0.000 2.788 906 T HA -0.121 4.229 4.350 0.001 0.000 0.268 906 T C 1.795 176.530 174.700 0.058 0.000 1.044 906 T CA 1.738 63.863 62.100 0.042 0.000 1.139 906 T CB -0.297 68.637 68.868 0.111 0.000 0.867 906 T HN 0.358 nan 8.240 nan 0.000 0.454 907 I N 0.811 121.417 120.570 0.061 0.000 2.252 907 I HA -0.126 4.044 4.170 0.001 0.000 0.245 907 I C 2.677 178.853 176.117 0.098 0.000 1.102 907 I CA 1.042 62.395 61.300 0.088 0.000 1.385 907 I CB -0.268 37.790 38.000 0.097 0.000 1.064 907 I HN 0.134 nan 8.210 nan 0.000 0.414 908 E N 0.426 120.678 120.200 0.087 0.000 2.072 908 E HA -0.159 4.192 4.350 0.001 0.000 0.191 908 E C 2.210 178.954 176.600 0.240 0.000 0.985 908 E CA 1.121 57.617 56.400 0.161 0.000 0.801 908 E CB -0.258 29.497 29.700 0.093 0.000 0.750 908 E HN 0.376 nan 8.360 nan 0.000 0.452 909 M N -0.136 119.541 119.600 0.128 0.000 2.279 909 M HA -0.122 4.358 4.480 0.001 0.000 0.264 909 M C 2.271 178.606 176.300 0.058 0.000 1.062 909 M CA 0.820 56.168 55.300 0.080 0.000 1.099 909 M CB -1.075 31.549 32.600 0.039 0.000 1.394 909 M HN 0.151 nan 8.290 nan 0.000 0.426 910 C N -0.350 118.994 119.300 0.073 0.000 2.512 910 C HA 0.024 4.484 4.460 0.001 0.000 0.276 910 C C 2.351 177.382 174.990 0.069 0.000 1.368 910 C CA 0.383 59.431 59.018 0.049 0.000 1.755 910 C CB -1.136 26.631 27.740 0.045 0.000 2.008 910 C HN 0.562 nan 8.230 nan 0.000 0.511 911 N N 1.028 119.814 118.700 0.143 0.000 2.494 911 N HA 0.048 4.788 4.740 0.001 0.000 0.182 911 N C 1.512 177.149 175.510 0.213 0.000 1.076 911 N CA 0.930 54.102 53.050 0.203 0.000 0.908 911 N CB -0.007 38.636 38.487 0.259 0.000 0.967 911 N HN 0.468 nan 8.380 nan 0.000 0.449 912 A N 0.082 122.942 122.820 0.067 0.000 1.898 912 A HA 0.028 4.348 4.320 0.001 0.000 0.214 912 A C 2.001 179.495 177.584 -0.150 0.000 1.183 912 A CA 0.698 52.557 52.037 -0.296 0.000 0.622 912 A CB -0.554 18.243 19.000 -0.338 0.000 0.824 912 A HN 0.308 nan 8.150 nan 0.000 0.444 913 L N -0.183 120.999 121.223 -0.069 0.000 2.191 913 L HA -0.175 4.165 4.340 0.001 0.000 0.212 913 L C 1.894 178.741 176.870 -0.038 0.000 1.103 913 L CA 1.345 56.148 54.840 -0.061 0.000 0.769 913 L CB -0.719 41.304 42.059 -0.061 0.000 0.908 913 L HN 0.482 nan 8.230 nan 0.000 0.438 914 N N -0.812 117.887 118.700 -0.000 0.000 2.512 914 N HA -0.075 4.665 4.740 0.001 0.000 0.183 914 N C 1.440 176.979 175.510 0.049 0.000 1.073 914 N CA 0.481 53.547 53.050 0.027 0.000 0.911 914 N CB 0.143 38.666 38.487 0.060 0.000 0.964 914 N HN 0.176 nan 8.380 nan 0.000 0.447 915 S N 0.372 116.091 115.700 0.031 0.000 2.556 915 S HA 0.206 4.677 4.470 0.001 0.000 0.216 915 S C 1.584 176.185 174.600 0.002 0.000 0.970 915 S CA -0.176 58.048 58.200 0.040 0.000 0.912 915 S CB 0.288 63.493 63.200 0.008 0.000 0.790 915 S HN 0.260 nan 8.310 nan 0.000 0.504 916 L N 0.746 121.960 121.223 -0.015 0.000 2.362 916 L HA 0.092 4.432 4.340 0.001 0.000 0.219 916 L C 0.870 177.741 176.870 0.001 0.000 1.134 916 L CA 0.602 55.435 54.840 -0.011 0.000 0.807 916 L CB 0.122 42.164 42.059 -0.028 0.000 0.927 916 L HN 0.185 nan 8.230 nan 0.000 0.447 917 S N -2.188 113.517 115.700 0.008 0.000 2.543 917 S HA 0.120 4.591 4.470 0.001 0.000 0.274 917 S C 0.311 174.926 174.600 0.025 0.000 1.149 917 S CA -0.742 57.466 58.200 0.014 0.000 0.866 917 S CB 1.683 64.889 63.200 0.009 0.000 1.111 917 S HN 0.201 nan 8.310 nan 0.000 0.457 918 E N 1.937 122.154 120.200 0.029 0.000 2.008 918 E HA 0.027 4.378 4.350 0.001 0.000 0.191 918 E C 0.186 176.810 176.600 0.039 0.000 0.986 918 E CA 0.949 57.372 56.400 0.037 0.000 0.807 918 E CB -0.024 29.701 29.700 0.043 0.000 0.766 918 E HN 0.608 nan 8.360 nan 0.000 0.450 919 N N 0.859 119.586 118.700 0.044 0.000 2.389 919 N HA 0.088 4.829 4.740 0.001 0.000 0.260 919 N C -0.974 174.562 175.510 0.043 0.000 1.191 919 N CA 0.139 53.221 53.050 0.054 0.000 0.885 919 N CB 1.146 39.664 38.487 0.052 0.000 1.162 919 N HN 0.111 nan 8.380 nan 0.000 0.512 920 Q N 0.359 120.180 119.800 0.036 0.000 2.325 920 Q HA 0.351 4.691 4.340 0.001 0.000 0.270 920 Q C -0.190 175.826 176.000 0.028 0.000 1.020 920 Q CA -0.303 55.519 55.803 0.030 0.000 0.785 920 Q CB 2.208 30.957 28.738 0.018 0.000 1.259 920 Q HN 0.007 nan 8.270 nan 0.000 0.452 921 S N 1.851 117.575 115.700 0.041 0.000 2.573 921 S HA 0.038 4.509 4.470 0.001 0.000 0.277 921 S C 1.392 175.982 174.600 -0.016 0.000 1.346 921 S CA -0.327 57.890 58.200 0.028 0.000 1.034 921 S CB 0.400 63.631 63.200 0.052 0.000 0.879 921 S HN 0.433 nan 8.310 nan 0.000 0.528 922 L N 1.804 123.000 121.223 -0.044 0.000 2.549 922 L HA -0.024 4.316 4.340 0.001 0.000 0.229 922 L C 1.925 178.717 176.870 -0.131 0.000 1.158 922 L CA 1.248 56.027 54.840 -0.101 0.000 0.842 922 L CB -0.553 41.436 42.059 -0.118 0.000 0.952 922 L HN 0.608 nan 8.230 nan 0.000 0.452 923 M N -1.695 117.862 119.600 -0.070 0.000 2.447 923 M HA 0.072 4.552 4.480 0.001 0.000 0.266 923 M C 2.064 178.350 176.300 -0.023 0.000 1.120 923 M CA 1.001 56.270 55.300 -0.053 0.000 1.166 923 M CB -0.595 31.996 32.600 -0.015 0.000 1.349 923 M HN 0.124 nan 8.290 nan 0.000 0.463 924 R N -0.160 120.337 120.500 -0.005 0.000 2.189 924 R HA 0.121 4.462 4.340 0.001 0.000 0.218 924 R C 0.673 176.974 176.300 0.001 0.000 1.074 924 R CA 0.559 56.667 56.100 0.013 0.000 0.991 924 R CB 0.070 30.384 30.300 0.025 0.000 0.883 924 R HN 0.330 nan 8.270 nan 0.000 0.457 925 M N 1.562 121.142 119.600 -0.033 0.000 2.060 925 M HA 0.249 4.730 4.480 0.001 0.000 0.231 925 M C -2.598 173.616 176.300 -0.143 0.000 0.936 925 M CA -1.844 53.427 55.300 -0.048 0.000 0.981 925 M CB 2.113 34.698 32.600 -0.024 0.000 2.216 925 M HN -0.250 nan 8.290 nan 0.000 0.399 926 P HA 0.095 nan 4.420 nan 0.000 0.267 926 P C -2.602 174.334 177.300 -0.607 0.000 1.201 926 P CA -0.468 62.254 63.100 -0.630 0.000 0.775 926 P CB 0.088 31.174 31.700 -1.024 0.000 0.854 927 P HA -0.104 nan 4.420 nan 0.000 0.218 927 P C 0.882 178.071 177.300 -0.186 0.000 1.149 927 P CA 1.394 64.289 63.100 -0.342 0.000 0.817 927 P CB -0.515 31.013 31.700 -0.286 0.000 0.785 928 W N -1.558 119.742 121.300 0.000 0.000 2.982 928 W HA 0.109 4.769 4.660 0.001 0.000 0.239 928 W C 0.996 177.517 176.519 0.004 0.000 1.303 928 W CA -0.191 57.150 57.345 -0.008 0.000 1.448 928 W CB -2.107 27.343 29.460 -0.016 0.000 1.133 928 W HN -0.258 nan 8.180 nan 0.000 0.698 929 V N 1.477 121.488 119.914 0.162 0.000 2.379 929 V HA -0.202 3.919 4.120 0.001 0.000 0.245 929 V C 1.122 177.306 176.094 0.150 0.000 1.044 929 V CA 1.845 64.242 62.300 0.162 0.000 1.036 929 V CB -0.661 31.208 31.823 0.077 0.000 0.664 929 V HN 0.276 nan 8.190 nan 0.000 0.453 930 N N 0.966 119.743 118.700 0.128 0.000 2.816 930 N HA 0.157 4.898 4.740 0.001 0.000 0.236 930 N C 0.742 176.334 175.510 0.137 0.000 1.076 930 N CA -0.232 52.920 53.050 0.170 0.000 0.902 930 N CB 0.702 39.288 38.487 0.164 0.000 1.149 930 N HN 0.065 nan 8.380 nan 0.000 0.506 931 I N 1.070 121.686 120.570 0.075 0.000 2.399 931 I HA -0.223 3.948 4.170 0.001 0.000 0.254 931 I C 1.308 177.338 176.117 -0.145 0.000 1.146 931 I CA 0.922 62.179 61.300 -0.072 0.000 1.412 931 I CB -0.794 37.075 38.000 -0.217 0.000 1.076 931 I HN 0.524 nan 8.210 nan 0.000 0.432 932 W N 0.493 121.737 121.300 -0.093 0.000 2.388 932 W HA -0.136 4.525 4.660 0.001 0.000 0.294 932 W C 2.453 178.928 176.519 -0.073 0.000 1.212 932 W CA 0.233 57.492 57.345 -0.142 0.000 1.271 932 W CB -0.836 28.453 29.460 -0.286 0.000 1.126 932 W HN 0.058 nan 8.180 nan 0.000 0.535 933 L N 0.467 121.799 121.223 0.180 0.000 2.017 933 L HA -0.172 4.168 4.340 0.001 0.000 0.208 933 L C 2.103 178.995 176.870 0.037 0.000 1.073 933 L CA 1.916 56.806 54.840 0.083 0.000 0.745 933 L CB -1.146 40.940 42.059 0.045 0.000 0.894 933 L HN 0.009 nan 8.230 nan 0.000 0.432 934 L N -0.745 120.494 121.223 0.027 0.000 1.989 934 L HA -0.141 4.199 4.340 0.001 0.000 0.211 934 L C 2.546 179.414 176.870 -0.003 0.000 1.071 934 L CA 1.445 56.291 54.840 0.010 0.000 0.749 934 L CB -1.652 40.418 42.059 0.018 0.000 0.890 934 L HN 0.458 nan 8.230 nan 0.000 0.431 935 G N -1.227 107.556 108.800 -0.028 0.000 2.470 935 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 935 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 935 G C 1.812 176.713 174.900 0.003 0.000 1.121 935 G CA 1.044 46.118 45.100 -0.043 0.000 0.766 935 G HN 0.365 nan 8.290 nan 0.000 0.553 936 S N 0.029 115.748 115.700 0.032 0.000 2.357 936 S HA 0.011 4.482 4.470 0.001 0.000 0.221 936 S C 2.386 177.002 174.600 0.027 0.000 1.031 936 S CA 0.689 58.914 58.200 0.043 0.000 0.982 936 S CB -0.234 62.998 63.200 0.055 0.000 0.853 936 S HN 0.359 nan 8.310 nan 0.000 0.458 937 I N 1.173 121.754 120.570 0.019 0.000 2.286 937 I HA -0.212 3.959 4.170 0.001 0.000 0.248 937 I C 2.460 178.597 176.117 0.033 0.000 1.115 937 I CA 0.863 62.175 61.300 0.021 0.000 1.392 937 I CB -0.558 37.449 38.000 0.011 0.000 1.065 937 I HN 0.422 nan 8.210 nan 0.000 0.418 938 C N 0.313 119.629 119.300 0.027 0.000 2.429 938 C HA -0.136 4.325 4.460 0.001 0.000 0.277 938 C C 2.684 177.706 174.990 0.053 0.000 1.262 938 C CA 0.347 59.386 59.018 0.035 0.000 1.733 938 C CB -0.928 26.819 27.740 0.012 0.000 2.010 938 C HN 0.505 nan 8.230 nan 0.000 0.483 939 L N 0.683 121.933 121.223 0.045 0.000 2.362 939 L HA -0.018 4.322 4.340 0.001 0.000 0.219 939 L C 2.293 179.211 176.870 0.079 0.000 1.134 939 L CA 1.655 56.529 54.840 0.056 0.000 0.807 939 L CB -0.554 41.530 42.059 0.042 0.000 0.927 939 L HN 0.206 nan 8.230 nan 0.000 0.447 940 S N -1.163 114.580 115.700 0.073 0.000 2.356 940 S HA -0.015 4.455 4.470 0.001 0.000 0.219 940 S C 1.843 176.529 174.600 0.143 0.000 1.036 940 S CA 1.053 59.306 58.200 0.087 0.000 0.965 940 S CB -0.104 63.125 63.200 0.048 0.000 0.864 940 S HN 0.330 nan 8.310 nan 0.000 0.471 941 M N 2.248 121.923 119.600 0.125 0.000 2.108 941 M HA -0.078 4.402 4.480 0.001 0.000 0.261 941 M C 2.468 178.944 176.300 0.294 0.000 1.066 941 M CA 1.572 56.972 55.300 0.166 0.000 1.107 941 M CB -1.939 30.754 32.600 0.156 0.000 1.356 941 M HN 0.480 nan 8.290 nan 0.000 0.406 942 S N 0.404 116.254 115.700 0.251 0.000 2.368 942 S HA -0.107 4.363 4.470 0.001 0.000 0.225 942 S C 2.017 176.757 174.600 0.233 0.000 1.030 942 S CA 1.058 59.405 58.200 0.245 0.000 0.999 942 S CB -0.952 62.327 63.200 0.132 0.000 0.844 942 S HN 0.515 nan 8.310 nan 0.000 0.459 943 L N 0.509 121.870 121.223 0.231 0.000 2.376 943 L HA 0.000 4.341 4.340 0.001 0.000 0.219 943 L C 2.741 179.784 176.870 0.289 0.000 1.133 943 L CA 1.266 56.276 54.840 0.284 0.000 0.816 943 L CB -0.485 41.795 42.059 0.368 0.000 0.933 943 L HN 0.445 nan 8.230 nan 0.000 0.449 944 H N -0.287 118.864 119.070 0.134 0.000 2.317 944 H HA -0.098 4.458 4.556 0.001 0.000 0.304 944 H C 1.907 177.201 175.328 -0.057 0.000 1.067 944 H CA 1.568 57.616 56.048 -0.000 0.000 1.352 944 H CB -0.133 29.573 29.762 -0.094 0.000 1.398 944 H HN 0.111 nan 8.280 nan 0.000 0.510 945 F N -0.151 119.813 119.950 0.024 0.000 2.269 945 F HA -0.072 4.456 4.527 0.001 0.000 0.301 945 F C 2.317 178.097 175.800 -0.032 0.000 1.082 945 F CA 0.695 58.676 58.000 -0.033 0.000 1.360 945 F CB -0.544 38.405 39.000 -0.084 0.000 1.041 945 F HN 0.225 nan 8.300 nan 0.000 0.512 946 L N 0.218 121.514 121.223 0.121 0.000 2.131 946 L HA -0.149 4.192 4.340 0.001 0.000 0.210 946 L C 1.878 178.722 176.870 -0.043 0.000 1.092 946 L CA 1.758 56.630 54.840 0.052 0.000 0.759 946 L CB -0.548 41.543 42.059 0.053 0.000 0.903 946 L HN 0.135 nan 8.230 nan 0.000 0.435 947 I N -1.560 118.891 120.570 -0.198 0.000 3.251 947 I HA -0.139 4.031 4.170 0.001 0.000 0.277 947 I C 1.586 177.573 176.117 -0.217 0.000 1.268 947 I CA 0.470 61.543 61.300 -0.378 0.000 1.449 947 I CB -0.117 37.405 38.000 -0.798 0.000 1.083 947 I HN 0.186 nan 8.210 nan 0.000 0.464 948 L N -1.200 119.983 121.223 -0.067 0.000 2.585 948 L HA 0.071 4.411 4.340 0.001 0.000 0.226 948 L C 1.651 178.561 176.870 0.066 0.000 1.113 948 L CA 0.414 55.256 54.840 0.004 0.000 0.876 948 L CB -0.026 42.075 42.059 0.071 0.000 1.072 948 L HN 0.178 nan 8.230 nan 0.000 0.468 949 Y N -1.063 119.222 120.300 -0.024 0.000 2.673 949 Y HA 0.171 4.722 4.550 0.001 0.000 0.278 949 Y C 1.263 177.155 175.900 -0.013 0.000 1.127 949 Y CA -0.671 57.429 58.100 0.000 0.000 1.261 949 Y CB 0.096 38.573 38.460 0.030 0.000 1.412 949 Y HN -0.349 nan 8.280 nan 0.000 0.496 950 V N 3.963 123.964 119.914 0.144 0.000 2.415 950 V HA -0.106 4.014 4.120 0.001 0.000 0.252 950 V C 0.737 176.849 176.094 0.029 0.000 1.043 950 V CA 0.088 62.430 62.300 0.070 0.000 1.149 950 V CB -0.711 31.139 31.823 0.046 0.000 1.143 950 V HN 0.393 nan 8.190 nan 0.000 0.478 951 D N 6.070 126.482 120.400 0.019 0.000 2.347 951 D HA -0.212 4.428 4.640 0.001 0.000 0.189 951 D C -0.263 176.038 176.300 0.003 0.000 1.020 951 D CA 2.191 56.190 54.000 -0.001 0.000 0.875 951 D CB -1.128 39.670 40.800 -0.002 0.000 0.928 951 D HN 0.524 nan 8.370 nan 0.000 0.454 952 P HA -0.044 nan 4.420 nan 0.000 0.242 952 P C 1.371 178.691 177.300 0.032 0.000 1.198 952 P CA 0.703 63.813 63.100 0.017 0.000 0.756 952 P CB -0.067 31.646 31.700 0.021 0.000 0.911 953 L N -1.063 120.179 121.223 0.032 0.000 2.519 953 L HA 0.222 4.563 4.340 0.001 0.000 0.194 953 L C -0.642 176.291 176.870 0.104 0.000 1.072 953 L CA 0.200 55.085 54.840 0.074 0.000 0.845 953 L CB -1.568 40.478 42.059 -0.022 0.000 1.138 953 L HN -0.157 nan 8.230 nan 0.000 0.487 954 P HA -0.235 nan 4.420 nan 0.000 0.218 954 P C 1.717 179.031 177.300 0.022 0.000 1.146 954 P CA 1.730 64.830 63.100 0.000 0.000 0.820 954 P CB 0.024 31.691 31.700 -0.054 0.000 0.778 955 M N -0.568 119.041 119.600 0.016 0.000 2.123 955 M HA -0.102 4.379 4.480 0.001 0.000 0.263 955 M C 1.892 178.185 176.300 -0.012 0.000 1.069 955 M CA 1.875 57.173 55.300 -0.004 0.000 1.133 955 M CB -0.461 32.132 32.600 -0.011 0.000 1.356 955 M HN -0.137 nan 8.290 nan 0.000 0.415 956 I N -2.812 117.752 120.570 -0.010 0.000 2.676 956 I HA -0.130 4.041 4.170 0.001 0.000 0.259 956 I C 1.105 177.082 176.117 -0.234 0.000 1.194 956 I CA 1.255 62.486 61.300 -0.115 0.000 1.473 956 I CB -0.631 37.280 38.000 -0.148 0.000 1.096 956 I HN 0.140 nan 8.210 nan 0.000 0.443 957 F N 1.576 121.473 119.950 -0.089 0.000 2.721 957 F HA 0.312 4.840 4.527 0.001 0.000 0.301 957 F C 0.737 176.485 175.800 -0.086 0.000 1.096 957 F CA -0.281 57.661 58.000 -0.098 0.000 1.308 957 F CB 0.104 39.005 39.000 -0.166 0.000 1.086 957 F HN -0.071 nan 8.300 nan 0.000 0.587 958 K N 1.374 121.805 120.400 0.052 0.000 3.257 958 K HA -0.192 4.129 4.320 0.001 0.000 0.270 958 K C -0.835 175.750 176.600 -0.025 0.000 0.984 958 K CA 0.249 56.534 56.287 -0.003 0.000 0.739 958 K CB -1.954 30.537 32.500 -0.015 0.000 1.351 958 K HN 0.295 nan 8.250 nan 0.000 0.463 959 L N -0.248 120.956 121.223 -0.032 0.000 2.309 959 L HA 0.607 4.947 4.340 0.001 0.000 0.261 959 L C -0.293 176.498 176.870 -0.132 0.000 1.021 959 L CA -1.072 53.710 54.840 -0.097 0.000 0.823 959 L CB 2.264 44.259 42.059 -0.106 0.000 1.366 959 L HN 0.040 nan 8.230 nan 0.000 0.423 960 K N 0.678 120.970 120.400 -0.179 0.000 2.543 960 K HA 0.650 4.970 4.320 0.001 0.000 0.255 960 K C -0.777 175.701 176.600 -0.203 0.000 0.934 960 K CA -0.544 55.632 56.287 -0.185 0.000 0.810 960 K CB 2.167 34.555 32.500 -0.187 0.000 1.315 960 K HN 0.696 nan 8.250 nan 0.000 0.433 961 A N 3.266 125.959 122.820 -0.213 0.000 2.644 961 A HA 0.115 4.435 4.320 0.001 0.000 0.230 961 A C -0.418 177.087 177.584 -0.132 0.000 1.080 961 A CA 0.556 52.481 52.037 -0.187 0.000 0.773 961 A CB -0.059 18.738 19.000 -0.337 0.000 1.007 961 A HN 0.616 nan 8.150 nan 0.000 0.512 962 L N 0.334 121.521 121.223 -0.060 0.000 2.301 962 L HA 0.420 4.760 4.340 0.001 0.000 0.264 962 L C -0.173 176.750 176.870 0.089 0.000 1.016 962 L CA -1.127 53.659 54.840 -0.089 0.000 0.821 962 L CB 1.607 43.434 42.059 -0.386 0.000 1.346 962 L HN 0.707 nan 8.230 nan 0.000 0.429 963 D N 0.142 120.609 120.400 0.112 0.000 2.478 963 D HA 0.106 4.746 4.640 0.001 0.000 0.274 963 D C 0.697 177.168 176.300 0.286 0.000 1.234 963 D CA -0.500 53.611 54.000 0.184 0.000 1.069 963 D CB 1.242 42.135 40.800 0.155 0.000 1.113 963 D HN 0.241 nan 8.370 nan 0.000 0.571 964 L N 0.517 121.887 121.223 0.246 0.000 2.418 964 L HA -0.032 4.309 4.340 0.001 0.000 0.218 964 L C 1.772 178.784 176.870 0.237 0.000 1.125 964 L CA 1.269 56.262 54.840 0.256 0.000 0.835 964 L CB -0.708 41.451 42.059 0.168 0.000 0.953 964 L HN 0.287 nan 8.230 nan 0.000 0.454 965 T N -1.203 113.478 114.554 0.212 0.000 2.976 965 T HA -0.064 4.287 4.350 0.001 0.000 0.257 965 T C 1.806 176.651 174.700 0.241 0.000 1.051 965 T CA 0.387 62.612 62.100 0.209 0.000 1.141 965 T CB 0.195 69.186 68.868 0.205 0.000 0.881 965 T HN 0.246 nan 8.240 nan 0.000 0.461 966 Q N 0.313 120.258 119.800 0.242 0.000 2.020 966 Q HA -0.084 4.257 4.340 0.001 0.000 0.202 966 Q C 2.126 178.186 176.000 0.100 0.000 0.982 966 Q CA 1.446 57.367 55.803 0.196 0.000 0.838 966 Q CB -0.551 28.238 28.738 0.084 0.000 0.899 966 Q HN 0.637 nan 8.270 nan 0.000 0.423 967 W N 1.009 122.379 121.300 0.115 0.000 2.338 967 W HA -0.215 4.445 4.660 0.001 0.000 0.304 967 W C 2.251 178.795 176.519 0.042 0.000 1.212 967 W CA 0.572 57.973 57.345 0.093 0.000 1.264 967 W CB -0.346 29.199 29.460 0.140 0.000 1.142 967 W HN 0.194 nan 8.180 nan 0.000 0.512 968 L N 0.255 121.658 121.223 0.299 0.000 2.043 968 L HA -0.262 4.078 4.340 0.001 0.000 0.212 968 L C 2.339 179.243 176.870 0.056 0.000 1.075 968 L CA 2.163 57.098 54.840 0.158 0.000 0.752 968 L CB -0.988 41.144 42.059 0.121 0.000 0.891 968 L HN 0.055 nan 8.230 nan 0.000 0.432 969 M N -1.314 118.262 119.600 -0.041 0.000 2.117 969 M HA -0.134 4.347 4.480 0.001 0.000 0.262 969 M C 1.992 178.177 176.300 -0.192 0.000 1.065 969 M CA 1.960 57.094 55.300 -0.277 0.000 1.114 969 M CB -0.555 31.623 32.600 -0.703 0.000 1.361 969 M HN 0.134 nan 8.290 nan 0.000 0.408 970 V N 0.128 120.010 119.914 -0.054 0.000 2.261 970 V HA -0.275 3.845 4.120 0.001 0.000 0.246 970 V C 2.369 178.513 176.094 0.084 0.000 1.047 970 V CA 1.901 64.213 62.300 0.020 0.000 1.015 970 V CB -0.974 30.929 31.823 0.133 0.000 0.642 970 V HN 0.522 nan 8.190 nan 0.000 0.446 971 L N -0.484 120.832 121.223 0.155 0.000 2.353 971 L HA -0.105 4.235 4.340 0.001 0.000 0.220 971 L C 2.462 179.364 176.870 0.052 0.000 1.133 971 L CA 1.086 55.993 54.840 0.112 0.000 0.798 971 L CB -0.553 41.574 42.059 0.113 0.000 0.922 971 L HN 0.296 nan 8.230 nan 0.000 0.445 972 K N -0.098 120.310 120.400 0.013 0.000 2.314 972 K HA 0.079 4.400 4.320 0.001 0.000 0.198 972 K C 1.853 178.447 176.600 -0.011 0.000 1.045 972 K CA 0.827 57.106 56.287 -0.013 0.000 0.988 972 K CB 0.480 32.947 32.500 -0.056 0.000 0.783 972 K HN 0.326 nan 8.250 nan 0.000 0.484 973 I N -0.012 120.544 120.570 -0.024 0.000 3.854 973 I HA -0.049 4.121 4.170 0.001 0.000 0.312 973 I C 1.308 177.483 176.117 0.096 0.000 1.273 973 I CA 0.377 61.675 61.300 -0.003 0.000 1.298 973 I CB 0.477 38.410 38.000 -0.113 0.000 1.071 973 I HN -0.094 nan 8.210 nan 0.000 0.428 974 S N 0.711 116.464 115.700 0.088 0.000 2.384 974 S HA 0.086 4.557 4.470 0.001 0.000 0.217 974 S C 1.768 176.441 174.600 0.122 0.000 1.041 974 S CA 0.241 58.521 58.200 0.133 0.000 0.948 974 S CB -0.093 63.165 63.200 0.097 0.000 0.872 974 S HN 0.233 nan 8.310 nan 0.000 0.512 975 L N 2.583 123.852 121.223 0.076 0.000 2.064 975 L HA -0.112 4.229 4.340 0.001 0.000 0.216 975 L C -0.816 176.067 176.870 0.021 0.000 1.077 975 L CA 1.903 56.769 54.840 0.043 0.000 0.766 975 L CB -2.558 39.520 42.059 0.031 0.000 0.890 975 L HN 0.289 nan 8.230 nan 0.000 0.435 976 P HA -0.095 nan 4.420 nan 0.000 0.236 976 P C 1.868 179.087 177.300 -0.136 0.000 1.172 976 P CA 0.687 63.772 63.100 -0.024 0.000 0.759 976 P CB -0.013 31.701 31.700 0.024 0.000 0.843 977 V N 0.109 119.956 119.914 -0.112 0.000 2.515 977 V HA -0.190 3.930 4.120 0.001 0.000 0.250 977 V C 2.337 178.340 176.094 -0.152 0.000 1.058 977 V CA 1.246 63.404 62.300 -0.237 0.000 1.064 977 V CB -0.791 31.016 31.823 -0.026 0.000 0.675 977 V HN -0.047 nan 8.190 nan 0.000 0.461 978 I N 0.484 121.009 120.570 -0.075 0.000 2.226 978 I HA -0.134 4.037 4.170 0.001 0.000 0.245 978 I C 2.593 178.668 176.117 -0.069 0.000 1.100 978 I CA 1.585 62.852 61.300 -0.054 0.000 1.374 978 I CB -1.073 36.905 38.000 -0.035 0.000 1.057 978 I HN 0.431 nan 8.210 nan 0.000 0.413 979 G N 1.299 110.050 108.800 -0.082 0.000 2.421 979 G HA2 -0.275 3.685 3.960 0.001 0.000 0.216 979 G HA3 -0.275 3.685 3.960 0.001 0.000 0.216 979 G C 1.652 176.496 174.900 -0.093 0.000 1.171 979 G CA 0.794 45.847 45.100 -0.080 0.000 0.775 979 G HN 0.273 nan 8.290 nan 0.000 0.543 980 L N 1.056 122.188 121.223 -0.152 0.000 1.990 980 L HA -0.092 4.249 4.340 0.001 0.000 0.213 980 L C 2.191 179.000 176.870 -0.101 0.000 1.072 980 L CA 2.890 57.631 54.840 -0.165 0.000 0.755 980 L CB -0.868 41.000 42.059 -0.318 0.000 0.889 980 L HN 0.240 nan 8.230 nan 0.000 0.432 981 D N -0.943 119.397 120.400 -0.101 0.000 2.117 981 D HA -0.227 4.413 4.640 0.001 0.000 0.197 981 D C 2.107 178.405 176.300 -0.003 0.000 0.987 981 D CA 1.094 55.059 54.000 -0.059 0.000 0.829 981 D CB 0.003 40.773 40.800 -0.050 0.000 0.961 981 D HN 0.476 nan 8.370 nan 0.000 0.460 982 E N -0.561 119.636 120.200 -0.006 0.000 2.204 982 E HA -0.112 4.238 4.350 0.001 0.000 0.195 982 E C 1.764 178.407 176.600 0.071 0.000 0.990 982 E CA 0.657 57.073 56.400 0.026 0.000 0.821 982 E CB -0.010 29.687 29.700 -0.006 0.000 0.750 982 E HN 0.321 nan 8.360 nan 0.000 0.477 983 I N -0.153 120.446 120.570 0.049 0.000 2.339 983 I HA -0.137 4.034 4.170 0.001 0.000 0.245 983 I C 2.141 178.376 176.117 0.197 0.000 1.096 983 I CA 0.732 62.083 61.300 0.085 0.000 1.408 983 I CB -0.985 37.029 38.000 0.022 0.000 1.092 983 I HN 0.200 nan 8.210 nan 0.000 0.423 984 L N 0.618 121.950 121.223 0.182 0.000 2.079 984 L HA -0.240 4.101 4.340 0.001 0.000 0.210 984 L C 2.559 179.700 176.870 0.452 0.000 1.081 984 L CA 1.463 56.507 54.840 0.340 0.000 0.752 984 L CB -0.518 41.622 42.059 0.134 0.000 0.896 984 L HN 0.234 nan 8.230 nan 0.000 0.433 985 K N -0.669 119.901 120.400 0.284 0.000 2.026 985 K HA -0.205 4.116 4.320 0.001 0.000 0.208 985 K C 2.090 178.823 176.600 0.222 0.000 1.048 985 K CA 1.500 57.937 56.287 0.249 0.000 0.929 985 K CB -0.345 32.249 32.500 0.158 0.000 0.713 985 K HN 0.057 nan 8.250 nan 0.000 0.439 986 F N 2.083 122.089 119.950 0.094 0.000 2.120 986 F HA -0.194 4.334 4.527 0.001 0.000 0.300 986 F C 1.905 177.756 175.800 0.084 0.000 1.095 986 F CA 1.381 59.432 58.000 0.085 0.000 1.249 986 F CB -0.175 38.871 39.000 0.077 0.000 0.995 986 F HN -0.077 nan 8.300 nan 0.000 0.480 987 I N -0.408 120.278 120.570 0.194 0.000 2.623 987 I HA -0.322 3.849 4.170 0.001 0.000 0.261 987 I C 2.200 178.105 176.117 -0.353 0.000 1.204 987 I CA 1.185 62.411 61.300 -0.123 0.000 1.444 987 I CB -0.747 37.219 38.000 -0.057 0.000 1.094 987 I HN 0.266 nan 8.210 nan 0.000 0.451 988 A N 0.269 122.908 122.820 -0.300 0.000 1.997 988 A HA 0.063 4.383 4.320 0.001 0.000 0.198 988 A C 2.275 179.744 177.584 -0.192 0.000 1.449 988 A CA -0.065 51.723 52.037 -0.415 0.000 0.908 988 A CB -0.233 18.415 19.000 -0.587 0.000 0.984 988 A HN 0.231 nan 8.150 nan 0.000 0.487 989 R N 0.097 120.518 120.500 -0.131 0.000 2.293 989 R HA -0.024 4.316 4.340 0.001 0.000 0.219 989 R C 0.300 176.454 176.300 -0.244 0.000 1.091 989 R CA 1.562 57.576 56.100 -0.143 0.000 1.004 989 R CB -0.069 30.172 30.300 -0.098 0.000 0.865 989 R HN 0.484 nan 8.270 nan 0.000 0.469 990 N N -1.680 116.840 118.700 -0.300 0.000 2.118 990 N HA 0.039 4.780 4.740 0.001 0.000 0.226 990 N C -0.285 174.988 175.510 -0.396 0.000 1.305 990 N CA 0.157 52.957 53.050 -0.417 0.000 0.890 990 N CB 0.735 38.739 38.487 -0.806 0.000 1.118 990 N HN 0.128 nan 8.380 nan 0.000 0.511 991 Y N 0.022 120.151 120.300 -0.286 0.000 3.266 991 Y HA 0.216 4.767 4.550 0.001 0.000 0.189 991 Y C 1.782 177.545 175.900 -0.229 0.000 0.895 991 Y CA -0.384 57.578 58.100 -0.230 0.000 1.706 991 Y CB -0.500 37.822 38.460 -0.229 0.000 1.449 991 Y HN -0.209 nan 8.280 nan 0.000 0.391 992 L N 1.011 122.167 121.223 -0.112 0.000 1.934 992 L HA -0.173 4.167 4.340 0.001 0.000 0.227 992 L C 0.020 176.815 176.870 -0.124 0.000 1.084 992 L CA 2.186 56.915 54.840 -0.185 0.000 0.790 992 L CB -0.245 41.597 42.059 -0.363 0.000 0.896 992 L HN 0.286 nan 8.230 nan 0.000 0.437 993 E N -0.966 119.159 120.200 -0.125 0.000 3.374 993 E HA 0.525 4.876 4.350 0.001 0.000 0.223 993 E C -0.476 176.073 176.600 -0.085 0.000 1.210 993 E CA 0.185 56.535 56.400 -0.083 0.000 0.987 993 E CB 0.584 30.256 29.700 -0.048 0.000 1.322 993 E HN 0.514 nan 8.360 nan 0.000 0.404 994 G N 0.000 108.735 108.800 -0.108 0.000 5.446 994 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 994 G CA 0.000 45.031 45.100 -0.115 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925