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 3ar7_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 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.244 55.300 -0.093 0.000 0.988 1 M CB 0.000 32.496 32.600 -0.172 0.000 1.302 2 E N 0.661 120.847 120.200 -0.022 0.000 2.268 2 E HA -0.045 4.306 4.350 0.001 0.000 0.195 2 E C 0.803 177.428 176.600 0.041 0.000 0.995 2 E CA 1.423 57.841 56.400 0.030 0.000 0.836 2 E CB 0.005 29.728 29.700 0.039 0.000 0.763 2 E HN 0.668 nan 8.360 nan 0.000 0.491 3 A N 0.834 123.619 122.820 -0.059 0.000 2.462 3 A HA 0.588 4.908 4.320 0.001 0.000 0.261 3 A C 2.001 179.424 177.584 -0.269 0.000 1.323 3 A CA 0.502 52.450 52.037 -0.150 0.000 0.913 3 A CB -0.250 18.642 19.000 -0.180 0.000 1.028 3 A HN 0.299 nan 8.150 nan 0.000 0.511 4 A N 1.077 123.828 122.820 -0.114 0.000 1.892 4 A HA -0.263 4.058 4.320 0.001 0.000 0.218 4 A C 2.054 179.572 177.584 -0.109 0.000 1.188 4 A CA 1.856 53.842 52.037 -0.085 0.000 0.631 4 A CB -1.083 17.926 19.000 0.015 0.000 0.822 4 A HN 0.910 nan 8.150 nan 0.000 0.447 5 H N 0.153 119.214 119.070 -0.015 0.000 2.426 5 H HA -0.122 4.435 4.556 0.001 0.000 0.298 5 H C 1.820 177.139 175.328 -0.015 0.000 1.107 5 H CA 1.949 57.990 56.048 -0.012 0.000 1.298 5 H CB -0.745 29.023 29.762 0.011 0.000 1.377 5 H HN 0.586 nan 8.280 nan 0.000 0.519 6 S N -0.042 115.271 115.700 -0.645 0.000 2.575 6 S HA 0.139 4.610 4.470 0.001 0.000 0.215 6 S C 0.652 175.132 174.600 -0.200 0.000 0.966 6 S CA -0.580 57.406 58.200 -0.358 0.000 0.911 6 S CB 0.357 63.294 63.200 -0.438 0.000 0.780 6 S HN 0.099 nan 8.310 nan 0.000 0.514 7 K N 2.919 123.210 120.400 -0.182 0.000 2.098 7 K HA 0.411 4.731 4.320 0.001 0.000 0.258 7 K C 0.404 176.966 176.600 -0.064 0.000 0.973 7 K CA -0.184 56.034 56.287 -0.115 0.000 0.898 7 K CB 1.610 34.035 32.500 -0.125 0.000 1.057 7 K HN 0.429 nan 8.250 nan 0.000 0.447 8 S N -0.414 115.261 115.700 -0.043 0.000 2.600 8 S HA 0.005 4.476 4.470 0.001 0.000 0.265 8 S C 1.515 176.111 174.600 -0.006 0.000 1.325 8 S CA 0.242 58.429 58.200 -0.021 0.000 1.002 8 S CB 0.623 63.813 63.200 -0.016 0.000 0.921 8 S HN 0.657 nan 8.310 nan 0.000 0.554 9 T N -0.362 114.195 114.554 0.004 0.000 2.720 9 T HA -0.173 4.177 4.350 0.001 0.000 0.268 9 T C 1.300 176.018 174.700 0.029 0.000 1.037 9 T CA 1.655 63.766 62.100 0.018 0.000 1.144 9 T CB -0.937 67.939 68.868 0.013 0.000 0.864 9 T HN 0.733 nan 8.240 nan 0.000 0.444 10 E N 1.606 121.818 120.200 0.020 0.000 2.085 10 E HA -0.114 4.237 4.350 0.001 0.000 0.194 10 E C 2.350 178.972 176.600 0.035 0.000 0.994 10 E CA 1.613 58.028 56.400 0.025 0.000 0.801 10 E CB -0.304 29.404 29.700 0.014 0.000 0.743 10 E HN 0.714 nan 8.360 nan 0.000 0.453 11 E N -0.296 119.917 120.200 0.022 0.000 2.150 11 E HA -0.141 4.210 4.350 0.001 0.000 0.193 11 E C 1.975 178.605 176.600 0.049 0.000 0.985 11 E CA 0.998 57.411 56.400 0.022 0.000 0.814 11 E CB -0.097 29.595 29.700 -0.014 0.000 0.752 11 E HN 0.287 nan 8.360 nan 0.000 0.466 12 C N 0.494 119.830 119.300 0.060 0.000 2.446 12 C HA -0.052 4.409 4.460 0.001 0.000 0.277 12 C C 2.526 177.659 174.990 0.239 0.000 1.275 12 C CA 0.306 59.402 59.018 0.130 0.000 1.727 12 C CB -0.808 27.006 27.740 0.123 0.000 2.010 12 C HN 0.403 nan 8.230 nan 0.000 0.486 13 L N 1.167 122.491 121.223 0.169 0.000 2.083 13 L HA -0.157 4.184 4.340 0.001 0.000 0.209 13 L C 2.818 179.787 176.870 0.164 0.000 1.083 13 L CA 1.698 56.641 54.840 0.170 0.000 0.752 13 L CB -0.693 41.424 42.059 0.097 0.000 0.899 13 L HN 0.345 nan 8.230 nan 0.000 0.433 14 A N -1.187 121.704 122.820 0.120 0.000 1.970 14 A HA -0.220 4.100 4.320 0.001 0.000 0.216 14 A C 2.150 179.782 177.584 0.080 0.000 1.170 14 A CA 0.829 52.917 52.037 0.086 0.000 0.645 14 A CB -0.664 18.370 19.000 0.057 0.000 0.816 14 A HN 0.450 nan 8.150 nan 0.000 0.447 15 Y N -0.533 119.733 120.300 -0.058 0.000 2.181 15 Y HA -0.174 4.377 4.550 0.001 0.000 0.288 15 Y C 1.528 177.293 175.900 -0.225 0.000 1.146 15 Y CA 1.838 59.817 58.100 -0.201 0.000 1.164 15 Y CB -0.298 37.943 38.460 -0.365 0.000 0.982 15 Y HN 0.269 nan 8.280 nan 0.000 0.515 16 F N 0.243 120.239 119.950 0.077 0.000 2.789 16 F HA 0.257 4.784 4.527 0.001 0.000 0.300 16 F C 1.838 177.682 175.800 0.073 0.000 1.132 16 F CA 0.699 58.734 58.000 0.058 0.000 1.404 16 F CB -0.412 38.699 39.000 0.185 0.000 1.114 16 F HN 0.131 nan 8.300 nan 0.000 0.584 17 G N 1.522 110.423 108.800 0.168 0.000 2.295 17 G HA2 -0.176 3.785 3.960 0.001 0.000 0.287 17 G HA3 -0.176 3.785 3.960 0.001 0.000 0.287 17 G C -0.353 174.617 174.900 0.117 0.000 1.055 17 G CA 0.381 45.547 45.100 0.110 0.000 0.922 17 G HN 0.348 nan 8.290 nan 0.000 0.503 18 V N -0.575 119.421 119.914 0.136 0.000 2.823 18 V HA 0.867 4.987 4.120 0.001 0.000 0.312 18 V C 0.366 176.499 176.094 0.066 0.000 1.072 18 V CA 0.037 62.392 62.300 0.092 0.000 0.937 18 V CB 2.148 34.032 31.823 0.100 0.000 1.013 18 V HN 1.045 nan 8.190 nan 0.000 0.430 19 S N 3.086 118.807 115.700 0.035 0.000 2.541 19 S HA 0.326 4.797 4.470 0.001 0.000 0.283 19 S C 0.846 175.449 174.600 0.005 0.000 1.196 19 S CA 0.184 58.395 58.200 0.019 0.000 1.062 19 S CB 1.487 64.692 63.200 0.007 0.000 1.009 19 S HN 0.960 nan 8.310 nan 0.000 0.502 20 E N 2.021 122.217 120.200 -0.006 0.000 2.150 20 E HA -0.122 4.229 4.350 0.001 0.000 0.193 20 E C 1.429 177.983 176.600 -0.077 0.000 0.985 20 E CA 1.674 58.056 56.400 -0.029 0.000 0.814 20 E CB -0.066 29.616 29.700 -0.029 0.000 0.752 20 E HN 0.890 nan 8.360 nan 0.000 0.466 21 T N -2.926 111.585 114.554 -0.072 0.000 3.065 21 T HA 0.012 4.363 4.350 0.001 0.000 0.252 21 T C 1.753 176.403 174.700 -0.084 0.000 1.099 21 T CA 0.907 62.941 62.100 -0.109 0.000 1.063 21 T CB 0.293 69.113 68.868 -0.080 0.000 0.948 21 T HN 0.181 nan 8.240 nan 0.000 0.506 22 T N -2.001 112.532 114.554 -0.034 0.000 3.056 22 T HA 0.553 4.904 4.350 0.001 0.000 0.243 22 T C 1.409 176.129 174.700 0.033 0.000 0.995 22 T CA 0.548 62.650 62.100 0.003 0.000 1.091 22 T CB -0.238 68.633 68.868 0.004 0.000 0.990 22 T HN 1.080 nan 8.240 nan 0.000 0.464 23 G N 1.653 110.466 108.800 0.021 0.000 2.725 23 G HA2 -0.086 3.875 3.960 0.001 0.000 0.220 23 G HA3 -0.086 3.875 3.960 0.001 0.000 0.220 23 G C -0.708 174.190 174.900 -0.002 0.000 1.357 23 G CA -0.523 44.592 45.100 0.026 0.000 0.866 23 G HN 0.689 nan 8.290 nan 0.000 0.548 24 L N 1.242 122.445 121.223 -0.032 0.000 2.439 24 L HA 0.454 4.794 4.340 0.001 0.000 0.269 24 L C 1.791 178.623 176.870 -0.064 0.000 1.179 24 L CA 0.102 54.893 54.840 -0.081 0.000 0.828 24 L CB 0.770 42.730 42.059 -0.164 0.000 1.106 24 L HN 1.005 nan 8.230 nan 0.000 0.467 25 T N -0.989 113.522 114.554 -0.071 0.000 2.849 25 T HA 0.236 4.586 4.350 0.001 0.000 0.284 25 T C -1.702 172.964 174.700 -0.057 0.000 1.004 25 T CA -1.716 60.355 62.100 -0.047 0.000 1.021 25 T CB 1.151 69.999 68.868 -0.033 0.000 1.013 25 T HN 0.405 nan 8.240 nan 0.000 0.527 26 P HA -0.145 nan 4.420 nan 0.000 0.216 26 P C 1.076 178.357 177.300 -0.032 0.000 1.153 26 P CA 1.442 64.524 63.100 -0.030 0.000 0.858 26 P CB -0.033 31.657 31.700 -0.016 0.000 0.789 27 D N -0.576 119.808 120.400 -0.027 0.000 2.117 27 D HA -0.175 4.466 4.640 0.001 0.000 0.197 27 D C 2.227 178.510 176.300 -0.028 0.000 0.987 27 D CA 1.208 55.197 54.000 -0.018 0.000 0.829 27 D CB -0.402 40.393 40.800 -0.008 0.000 0.961 27 D HN 0.132 nan 8.370 nan 0.000 0.460 28 Q N -0.458 119.297 119.800 -0.076 0.000 2.084 28 Q HA -0.115 4.226 4.340 0.001 0.000 0.202 28 Q C 2.378 178.225 176.000 -0.255 0.000 0.978 28 Q CA 1.177 56.866 55.803 -0.189 0.000 0.844 28 Q CB 0.026 28.590 28.738 -0.291 0.000 0.898 28 Q HN 0.229 nan 8.270 nan 0.000 0.426 29 V N 1.314 121.127 119.914 -0.169 0.000 2.287 29 V HA -0.318 3.802 4.120 0.001 0.000 0.248 29 V C 2.061 178.147 176.094 -0.013 0.000 1.053 29 V CA 1.989 64.233 62.300 -0.095 0.000 1.027 29 V CB -0.454 31.330 31.823 -0.065 0.000 0.646 29 V HN 0.326 nan 8.190 nan 0.000 0.447 30 K N -0.311 120.084 120.400 -0.009 0.000 2.032 30 K HA -0.200 4.121 4.320 0.001 0.000 0.209 30 K C 2.385 179.008 176.600 0.038 0.000 1.048 30 K CA 1.727 58.020 56.287 0.010 0.000 0.927 30 K CB -0.286 32.217 32.500 0.006 0.000 0.712 30 K HN 0.350 nan 8.250 nan 0.000 0.441 31 R N -0.233 120.309 120.500 0.071 0.000 2.092 31 R HA -0.061 4.280 4.340 0.001 0.000 0.231 31 R C 2.160 178.567 176.300 0.177 0.000 1.119 31 R CA 1.204 57.370 56.100 0.109 0.000 0.970 31 R CB -0.176 30.204 30.300 0.134 0.000 0.864 31 R HN 0.447 nan 8.270 nan 0.000 0.440 32 H N -0.635 118.467 119.070 0.053 0.000 2.462 32 H HA -0.068 4.488 4.556 0.001 0.000 0.292 32 H C 1.849 177.259 175.328 0.137 0.000 1.049 32 H CA 0.654 56.801 56.048 0.165 0.000 1.334 32 H CB 0.304 30.189 29.762 0.204 0.000 1.404 32 H HN 0.064 nan 8.280 nan 0.000 0.544 33 L N 1.439 122.749 121.223 0.145 0.000 2.109 33 L HA -0.090 4.250 4.340 0.001 0.000 0.207 33 L C 1.980 178.830 176.870 -0.034 0.000 1.086 33 L CA 1.484 56.324 54.840 -0.000 0.000 0.760 33 L CB -0.203 41.801 42.059 -0.092 0.000 0.910 33 L HN 0.126 nan 8.230 nan 0.000 0.437 34 E N -0.587 119.601 120.200 -0.020 0.000 2.077 34 E HA -0.275 4.076 4.350 0.001 0.000 0.193 34 E C 2.101 178.651 176.600 -0.084 0.000 0.989 34 E CA 1.474 57.850 56.400 -0.038 0.000 0.800 34 E CB -0.137 29.547 29.700 -0.028 0.000 0.746 34 E HN 0.405 nan 8.360 nan 0.000 0.452 35 K N 0.015 120.317 120.400 -0.162 0.000 2.031 35 K HA -0.124 4.197 4.320 0.001 0.000 0.205 35 K C 1.250 177.601 176.600 -0.415 0.000 1.049 35 K CA 1.260 57.316 56.287 -0.385 0.000 0.939 35 K CB 0.079 32.170 32.500 -0.681 0.000 0.717 35 K HN 0.138 nan 8.250 nan 0.000 0.438 36 Y N -0.202 120.101 120.300 0.005 0.000 2.449 36 Y HA 0.287 4.838 4.550 0.001 0.000 0.254 36 Y C 0.957 176.863 175.900 0.010 0.000 1.140 36 Y CA 0.144 58.254 58.100 0.017 0.000 1.272 36 Y CB 0.680 39.159 38.460 0.032 0.000 1.114 36 Y HN 0.312 nan 8.280 nan 0.000 0.525 37 G N 0.354 109.206 108.800 0.087 0.000 2.750 37 G HA2 -0.236 3.724 3.960 0.001 0.000 0.228 37 G HA3 -0.236 3.724 3.960 0.001 0.000 0.228 37 G C -0.589 174.310 174.900 -0.002 0.000 1.367 37 G CA -0.597 44.529 45.100 0.043 0.000 0.871 37 G HN 0.369 nan 8.290 nan 0.000 0.560 38 H N 0.143 119.257 119.070 0.074 0.000 2.607 38 H HA 0.227 4.783 4.556 0.001 0.000 0.367 38 H C 0.927 176.290 175.328 0.059 0.000 1.181 38 H CA 0.432 56.516 56.048 0.061 0.000 1.402 38 H CB 0.897 30.685 29.762 0.043 0.000 1.474 38 H HN 0.496 nan 8.280 nan 0.000 0.596 39 N N 2.145 120.947 118.700 0.170 0.000 2.968 39 N HA -0.012 4.728 4.740 0.001 0.000 0.271 39 N C -0.974 174.594 175.510 0.097 0.000 1.174 39 N CA -0.211 52.902 53.050 0.105 0.000 1.096 39 N CB -0.226 38.302 38.487 0.069 0.000 1.403 39 N HN 0.640 nan 8.380 nan 0.000 0.522 40 E N 0.617 120.875 120.200 0.096 0.000 2.388 40 E HA 0.235 4.586 4.350 0.001 0.000 0.280 40 E C -1.376 175.262 176.600 0.064 0.000 1.019 40 E CA -0.977 55.466 56.400 0.071 0.000 0.806 40 E CB 0.400 30.134 29.700 0.057 0.000 1.246 40 E HN -0.070 nan 8.360 nan 0.000 0.443 41 L N 2.448 123.701 121.223 0.051 0.000 2.426 41 L HA 0.310 4.651 4.340 0.001 0.000 0.271 41 L C -1.878 175.014 176.870 0.036 0.000 1.169 41 L CA -1.666 53.201 54.840 0.044 0.000 0.836 41 L CB -0.615 41.468 42.059 0.040 0.000 1.112 41 L HN 0.535 nan 8.230 nan 0.000 0.465 42 P HA 0.125 nan 4.420 nan 0.000 0.269 42 P C -0.733 176.579 177.300 0.019 0.000 1.209 42 P CA -0.512 62.606 63.100 0.029 0.000 0.776 42 P CB 0.474 32.191 31.700 0.029 0.000 0.876 43 A N 2.591 125.419 122.820 0.014 0.000 2.466 43 A HA 0.146 4.467 4.320 0.001 0.000 0.238 43 A C 0.627 178.216 177.584 0.007 0.000 1.074 43 A CA -0.280 51.761 52.037 0.007 0.000 0.774 43 A CB -0.506 18.496 19.000 0.003 0.000 1.015 43 A HN 0.672 nan 8.150 nan 0.000 0.498 44 E N 0.863 121.066 120.200 0.004 0.000 2.418 44 E HA 0.269 4.620 4.350 0.001 0.000 0.261 44 E C 0.023 176.625 176.600 0.003 0.000 1.070 44 E CA -0.100 56.301 56.400 0.002 0.000 0.931 44 E CB 0.320 30.019 29.700 -0.002 0.000 0.954 44 E HN 0.613 nan 8.360 nan 0.000 0.439 45 E N 1.784 121.985 120.200 0.002 0.000 2.694 45 E HA 0.014 4.364 4.350 0.001 0.000 0.250 45 E C 0.035 176.638 176.600 0.006 0.000 0.963 45 E CA 0.635 57.038 56.400 0.004 0.000 0.949 45 E CB 0.156 29.856 29.700 0.000 0.000 0.911 45 E HN 0.639 nan 8.360 nan 0.000 0.500 46 G N 5.427 114.233 108.800 0.011 0.000 2.734 46 G HA2 -0.037 3.924 3.960 0.001 0.000 0.287 46 G HA3 -0.037 3.924 3.960 0.001 0.000 0.287 46 G C -0.231 174.681 174.900 0.020 0.000 0.728 46 G CA -0.304 44.806 45.100 0.016 0.000 1.999 46 G HN 0.492 nan 8.290 nan 0.000 0.535 47 K N 2.182 122.591 120.400 0.015 0.000 2.299 47 K HA 0.326 4.647 4.320 0.001 0.000 0.268 47 K C 0.818 177.435 176.600 0.028 0.000 1.075 47 K CA -0.523 55.774 56.287 0.016 0.000 0.936 47 K CB 0.418 32.919 32.500 0.001 0.000 1.228 47 K HN 0.449 nan 8.250 nan 0.000 0.454 48 S N 3.295 119.025 115.700 0.050 0.000 2.614 48 S HA 0.044 4.514 4.470 0.001 0.000 0.265 48 S C 1.170 175.821 174.600 0.084 0.000 1.303 48 S CA -0.798 57.448 58.200 0.077 0.000 1.000 48 S CB 0.993 64.262 63.200 0.116 0.000 0.935 48 S HN 0.652 nan 8.310 nan 0.000 0.551 49 L N 1.704 122.991 121.223 0.105 0.000 2.017 49 L HA 0.000 4.341 4.340 0.001 0.000 0.208 49 L C 2.120 179.081 176.870 0.152 0.000 1.073 49 L CA 1.831 56.737 54.840 0.109 0.000 0.745 49 L CB -0.983 41.145 42.059 0.116 0.000 0.894 49 L HN 0.935 nan 8.230 nan 0.000 0.432 50 W N 0.790 122.104 121.300 0.023 0.000 2.335 50 W HA -0.244 4.416 4.660 0.001 0.000 0.311 50 W C 2.020 178.560 176.519 0.036 0.000 1.213 50 W CA 1.972 59.335 57.345 0.031 0.000 1.274 50 W CB -0.075 29.400 29.460 0.024 0.000 1.148 50 W HN 0.317 nan 8.180 nan 0.000 0.498 51 E N 0.404 120.583 120.200 -0.035 0.000 2.153 51 E HA -0.258 4.092 4.350 0.001 0.000 0.194 51 E C 2.037 178.546 176.600 -0.151 0.000 0.988 51 E CA 1.398 57.716 56.400 -0.137 0.000 0.811 51 E CB -0.453 29.246 29.700 -0.001 0.000 0.746 51 E HN 0.165 nan 8.360 nan 0.000 0.466 52 L N 0.334 121.504 121.223 -0.088 0.000 2.109 52 L HA -0.111 4.230 4.340 0.001 0.000 0.207 52 L C 2.106 178.900 176.870 -0.127 0.000 1.086 52 L CA 1.229 56.020 54.840 -0.082 0.000 0.760 52 L CB -0.157 41.881 42.059 -0.034 0.000 0.910 52 L HN -0.060 nan 8.230 nan 0.000 0.437 53 V N -0.167 119.659 119.914 -0.147 0.000 2.343 53 V HA -0.269 3.852 4.120 0.001 0.000 0.247 53 V C 2.517 178.496 176.094 -0.192 0.000 1.051 53 V CA 1.490 63.694 62.300 -0.159 0.000 1.036 53 V CB -0.605 31.167 31.823 -0.086 0.000 0.654 53 V HN 0.343 nan 8.190 nan 0.000 0.451 54 I N 0.195 120.572 120.570 -0.322 0.000 2.226 54 I HA -0.214 3.957 4.170 0.001 0.000 0.245 54 I C 2.493 178.555 176.117 -0.092 0.000 1.100 54 I CA 1.538 62.704 61.300 -0.223 0.000 1.374 54 I CB -1.316 36.431 38.000 -0.422 0.000 1.057 54 I HN 0.458 nan 8.210 nan 0.000 0.413 55 E N 0.388 120.507 120.200 -0.135 0.000 2.267 55 E HA -0.226 4.125 4.350 0.001 0.000 0.197 55 E C 1.927 178.451 176.600 -0.127 0.000 0.998 55 E CA 0.716 57.056 56.400 -0.100 0.000 0.830 55 E CB -0.001 29.645 29.700 -0.091 0.000 0.751 55 E HN 0.509 nan 8.360 nan 0.000 0.491 56 Q N -0.739 118.924 119.800 -0.227 0.000 2.436 56 Q HA -0.060 4.281 4.340 0.001 0.000 0.209 56 Q C 0.678 176.389 176.000 -0.481 0.000 0.965 56 Q CA 0.808 56.386 55.803 -0.374 0.000 0.910 56 Q CB 0.089 28.517 28.738 -0.518 0.000 0.980 56 Q HN 0.318 nan 8.270 nan 0.000 0.491 57 F N -0.055 119.843 119.950 -0.088 0.000 2.750 57 F HA 0.244 4.772 4.527 0.001 0.000 0.297 57 F C 1.520 177.282 175.800 -0.064 0.000 1.138 57 F CA -0.321 57.634 58.000 -0.076 0.000 1.346 57 F CB 0.468 39.412 39.000 -0.094 0.000 0.965 57 F HN 0.022 nan 8.300 nan 0.000 0.514 58 E N -0.273 119.958 120.200 0.051 0.000 2.216 58 E HA -0.073 4.278 4.350 0.001 0.000 0.192 58 E C 0.373 176.986 176.600 0.022 0.000 0.973 58 E CA 0.064 56.480 56.400 0.027 0.000 0.851 58 E CB 0.140 29.838 29.700 -0.004 0.000 0.804 58 E HN 0.210 nan 8.360 nan 0.000 0.477 59 D N 0.809 121.217 120.400 0.013 0.000 2.525 59 D HA -0.100 4.540 4.640 0.001 0.000 0.235 59 D C 1.057 177.372 176.300 0.025 0.000 1.137 59 D CA 0.179 54.188 54.000 0.015 0.000 0.868 59 D CB 0.857 41.661 40.800 0.008 0.000 1.180 59 D HN -0.022 nan 8.370 nan 0.000 0.465 60 L N 3.440 124.673 121.223 0.017 0.000 2.043 60 L HA -0.218 4.123 4.340 0.001 0.000 0.212 60 L C 2.114 178.990 176.870 0.010 0.000 1.075 60 L CA 1.112 55.958 54.840 0.009 0.000 0.752 60 L CB -0.148 41.908 42.059 -0.005 0.000 0.891 60 L HN 0.629 nan 8.230 nan 0.000 0.432 61 L N -1.082 120.149 121.223 0.014 0.000 2.109 61 L HA -0.154 4.186 4.340 0.001 0.000 0.207 61 L C 2.545 179.435 176.870 0.033 0.000 1.086 61 L CA 1.059 55.909 54.840 0.017 0.000 0.760 61 L CB -0.657 41.420 42.059 0.031 0.000 0.910 61 L HN 0.296 nan 8.230 nan 0.000 0.437 62 V N -2.458 117.483 119.914 0.046 0.000 2.548 62 V HA -0.171 3.950 4.120 0.001 0.000 0.249 62 V C 2.472 178.627 176.094 0.101 0.000 1.055 62 V CA 1.098 63.444 62.300 0.076 0.000 1.065 62 V CB -0.656 31.212 31.823 0.074 0.000 0.681 62 V HN 0.346 nan 8.190 nan 0.000 0.462 63 R N -0.024 120.521 120.500 0.074 0.000 2.073 63 R HA -0.026 4.314 4.340 0.001 0.000 0.234 63 R C 2.391 178.706 176.300 0.025 0.000 1.134 63 R CA 1.937 58.066 56.100 0.048 0.000 0.952 63 R CB -0.446 29.872 30.300 0.030 0.000 0.850 63 R HN 0.437 nan 8.270 nan 0.000 0.433 64 I N 1.230 121.812 120.570 0.020 0.000 2.163 64 I HA -0.276 3.894 4.170 0.001 0.000 0.243 64 I C 2.346 178.472 176.117 0.016 0.000 1.085 64 I CA 1.596 62.903 61.300 0.011 0.000 1.347 64 I CB -1.068 36.933 38.000 0.001 0.000 1.044 64 I HN 0.205 nan 8.210 nan 0.000 0.408 65 L N -0.295 120.945 121.223 0.028 0.000 2.141 65 L HA -0.191 4.150 4.340 0.001 0.000 0.209 65 L C 2.543 179.430 176.870 0.028 0.000 1.094 65 L CA 0.612 55.472 54.840 0.032 0.000 0.763 65 L CB -0.515 41.570 42.059 0.044 0.000 0.908 65 L HN 0.220 nan 8.230 nan 0.000 0.437 66 L N -0.309 120.929 121.223 0.026 0.000 2.056 66 L HA -0.174 4.167 4.340 0.001 0.000 0.207 66 L C 2.268 179.122 176.870 -0.026 0.000 1.078 66 L CA 1.482 56.313 54.840 -0.015 0.000 0.749 66 L CB -0.401 41.622 42.059 -0.060 0.000 0.901 66 L HN 0.123 nan 8.230 nan 0.000 0.433 67 L N -0.068 121.146 121.223 -0.015 0.000 2.083 67 L HA -0.073 4.268 4.340 0.001 0.000 0.209 67 L C 2.483 179.351 176.870 -0.003 0.000 1.083 67 L CA 2.033 56.865 54.840 -0.013 0.000 0.752 67 L CB -1.087 40.968 42.059 -0.006 0.000 0.899 67 L HN 0.278 nan 8.230 nan 0.000 0.433 68 A N -0.388 122.436 122.820 0.007 0.000 1.902 68 A HA -0.120 4.201 4.320 0.001 0.000 0.217 68 A C 2.470 180.070 177.584 0.027 0.000 1.181 68 A CA 1.882 53.928 52.037 0.016 0.000 0.623 68 A CB -1.207 17.804 19.000 0.019 0.000 0.818 68 A HN 0.581 nan 8.150 nan 0.000 0.443 69 A N -0.996 121.839 122.820 0.026 0.000 1.902 69 A HA -0.174 4.146 4.320 0.001 0.000 0.217 69 A C 2.313 179.941 177.584 0.073 0.000 1.181 69 A CA 1.729 53.792 52.037 0.043 0.000 0.623 69 A CB -1.261 17.745 19.000 0.010 0.000 0.818 69 A HN 0.614 nan 8.150 nan 0.000 0.443 70 C N -0.376 118.946 119.300 0.036 0.000 2.446 70 C HA -0.057 4.404 4.460 0.001 0.000 0.277 70 C C 2.548 177.600 174.990 0.102 0.000 1.275 70 C CA 0.704 59.761 59.018 0.064 0.000 1.727 70 C CB -1.067 26.677 27.740 0.007 0.000 2.010 70 C HN 0.580 nan 8.230 nan 0.000 0.486 71 I N 1.059 121.643 120.570 0.023 0.000 2.179 71 I HA -0.145 4.026 4.170 0.001 0.000 0.242 71 I C 2.723 178.856 176.117 0.027 0.000 1.088 71 I CA 1.715 62.991 61.300 -0.041 0.000 1.357 71 I CB -1.756 36.182 38.000 -0.103 0.000 1.051 71 I HN 0.329 nan 8.210 nan 0.000 0.409 72 S N 0.654 116.391 115.700 0.061 0.000 2.383 72 S HA -0.233 4.238 4.470 0.001 0.000 0.229 72 S C 2.097 176.754 174.600 0.095 0.000 1.030 72 S CA 1.278 59.519 58.200 0.068 0.000 1.002 72 S CB -0.493 62.751 63.200 0.073 0.000 0.829 72 S HN 0.379 nan 8.310 nan 0.000 0.467 73 F N 1.621 121.582 119.950 0.019 0.000 2.186 73 F HA 0.033 4.561 4.527 0.001 0.000 0.299 73 F C 2.079 177.951 175.800 0.120 0.000 1.090 73 F CA 1.172 59.205 58.000 0.054 0.000 1.307 73 F CB -0.420 38.625 39.000 0.074 0.000 1.019 73 F HN 0.061 nan 8.300 nan 0.000 0.489 74 V N -0.030 120.002 119.914 0.198 0.000 2.358 74 V HA -0.259 3.862 4.120 0.001 0.000 0.246 74 V C 2.261 178.459 176.094 0.173 0.000 1.047 74 V CA 1.443 63.886 62.300 0.239 0.000 1.035 74 V CB -0.603 31.332 31.823 0.186 0.000 0.658 74 V HN 0.248 nan 8.190 nan 0.000 0.452 75 L N 0.186 121.449 121.223 0.066 0.000 2.275 75 L HA -0.008 4.333 4.340 0.001 0.000 0.215 75 L C 2.394 179.236 176.870 -0.047 0.000 1.119 75 L CA 1.849 56.719 54.840 0.049 0.000 0.790 75 L CB -0.879 41.207 42.059 0.046 0.000 0.919 75 L HN 0.290 nan 8.230 nan 0.000 0.443 76 A N -2.275 120.416 122.820 -0.216 0.000 1.975 76 A HA -0.172 4.148 4.320 0.001 0.000 0.215 76 A C 2.037 179.320 177.584 -0.502 0.000 1.170 76 A CA 0.495 52.202 52.037 -0.550 0.000 0.656 76 A CB -0.813 17.554 19.000 -1.054 0.000 0.821 76 A HN 0.531 nan 8.150 nan 0.000 0.449 77 W N -0.673 120.336 121.300 -0.486 0.000 2.467 77 W HA 0.164 4.825 4.660 0.001 0.000 0.275 77 W C -0.403 175.874 176.519 -0.404 0.000 1.239 77 W CA 0.310 57.459 57.345 -0.326 0.000 1.266 77 W CB -0.213 29.081 29.460 -0.276 0.000 1.112 77 W HN 0.192 nan 8.180 nan 0.000 0.576 78 F N 1.312 121.257 119.950 -0.008 0.000 2.471 78 F HA 0.292 4.820 4.527 0.001 0.000 0.318 78 F C 0.181 175.958 175.800 -0.038 0.000 1.308 78 F CA -0.573 57.384 58.000 -0.070 0.000 1.162 78 F CB 0.039 38.983 39.000 -0.094 0.000 1.383 78 F HN -0.338 nan 8.300 nan 0.000 0.552 79 E N 0.470 120.697 120.200 0.046 0.000 2.299 79 E HA 0.365 4.716 4.350 0.001 0.000 0.260 79 E C -0.630 175.984 176.600 0.024 0.000 0.944 79 E CA -0.783 55.635 56.400 0.029 0.000 0.815 79 E CB 1.467 31.149 29.700 -0.030 0.000 1.252 79 E HN 0.102 nan 8.360 nan 0.000 0.418 80 E N 0.609 120.825 120.200 0.026 0.000 2.081 80 E HA 0.491 4.841 4.350 0.001 0.000 0.281 80 E C -0.128 176.479 176.600 0.013 0.000 0.986 80 E CA -0.218 56.196 56.400 0.022 0.000 0.796 80 E CB 1.276 30.994 29.700 0.029 0.000 1.085 80 E HN 0.744 nan 8.360 nan 0.000 0.398 81 G N 2.489 111.294 108.800 0.010 0.000 2.362 81 G HA2 -0.046 3.914 3.960 0.001 0.000 0.288 81 G HA3 -0.046 3.914 3.960 0.001 0.000 0.288 81 G C -0.109 174.797 174.900 0.009 0.000 1.305 81 G CA -0.145 44.960 45.100 0.009 0.000 0.910 81 G HN 0.365 nan 8.290 nan 0.000 0.518 82 E N -0.634 119.572 120.200 0.011 0.000 2.541 82 E HA 0.144 4.495 4.350 0.001 0.000 0.219 82 E C -0.166 176.447 176.600 0.021 0.000 0.922 82 E CA 0.357 56.765 56.400 0.014 0.000 1.095 82 E CB 0.473 30.178 29.700 0.009 0.000 1.112 82 E HN 0.490 nan 8.360 nan 0.000 0.516 83 E N 2.082 122.294 120.200 0.019 0.000 2.003 83 E HA 0.113 4.464 4.350 0.001 0.000 0.279 83 E C 0.666 177.297 176.600 0.052 0.000 1.132 83 E CA 0.277 56.691 56.400 0.023 0.000 0.888 83 E CB 1.086 30.792 29.700 0.009 0.000 1.056 83 E HN 0.232 nan 8.360 nan 0.000 0.399 84 T N -0.501 114.101 114.554 0.080 0.000 3.054 84 T HA -0.040 4.311 4.350 0.001 0.000 0.259 84 T C 1.581 176.387 174.700 0.177 0.000 1.092 84 T CA -0.005 62.204 62.100 0.183 0.000 1.121 84 T CB -0.083 68.871 68.868 0.143 0.000 0.912 84 T HN 0.356 nan 8.240 nan 0.000 0.489 85 I N 3.095 123.704 120.570 0.066 0.000 2.676 85 I HA -0.046 4.125 4.170 0.001 0.000 0.259 85 I C 2.371 178.501 176.117 0.021 0.000 1.194 85 I CA 1.446 62.759 61.300 0.023 0.000 1.473 85 I CB -0.091 37.902 38.000 -0.013 0.000 1.096 85 I HN 0.531 nan 8.210 nan 0.000 0.443 86 T N -3.269 111.299 114.554 0.023 0.000 2.990 86 T HA 0.321 4.672 4.350 0.001 0.000 0.249 86 T C 1.847 176.540 174.700 -0.012 0.000 1.039 86 T CA 0.355 62.450 62.100 -0.009 0.000 1.036 86 T CB -0.234 68.618 68.868 -0.027 0.000 0.994 86 T HN 0.146 nan 8.240 nan 0.000 0.489 87 A N 0.945 123.765 122.820 -0.001 0.000 1.929 87 A HA 0.316 4.637 4.320 0.001 0.000 0.216 87 A C 1.495 178.951 177.584 -0.213 0.000 1.176 87 A CA 0.602 52.565 52.037 -0.123 0.000 0.628 87 A CB -0.882 18.004 19.000 -0.190 0.000 0.816 87 A HN 0.513 nan 8.150 nan 0.000 0.444 88 F N -0.775 119.164 119.950 -0.019 0.000 2.692 88 F HA 0.132 4.659 4.527 0.001 0.000 0.303 88 F C 1.761 177.594 175.800 0.056 0.000 1.114 88 F CA -0.040 57.971 58.000 0.019 0.000 1.361 88 F CB 0.194 39.190 39.000 -0.006 0.000 1.063 88 F HN -0.016 nan 8.300 nan 0.000 0.550 89 V N -0.136 119.854 119.914 0.127 0.000 2.283 89 V HA -0.264 3.857 4.120 0.001 0.000 0.243 89 V C 2.454 178.623 176.094 0.124 0.000 1.039 89 V CA 2.113 64.469 62.300 0.093 0.000 1.016 89 V CB -0.442 31.366 31.823 -0.025 0.000 0.650 89 V HN 0.371 nan 8.190 nan 0.000 0.449 90 E N 0.463 120.698 120.200 0.059 0.000 2.048 90 E HA -0.256 4.095 4.350 0.001 0.000 0.202 90 E C -0.190 176.479 176.600 0.115 0.000 1.021 90 E CA 2.295 58.731 56.400 0.059 0.000 0.825 90 E CB -0.923 28.789 29.700 0.021 0.000 0.756 90 E HN 0.479 nan 8.360 nan 0.000 0.454 91 P HA -0.121 nan 4.420 nan 0.000 0.217 91 P C 1.077 178.513 177.300 0.226 0.000 1.150 91 P CA 1.010 64.240 63.100 0.215 0.000 0.832 91 P CB -0.202 31.715 31.700 0.363 0.000 0.787 92 F N -0.001 120.029 119.950 0.133 0.000 2.234 92 F HA -0.150 4.377 4.527 0.001 0.000 0.299 92 F C 1.968 177.806 175.800 0.063 0.000 1.087 92 F CA 1.110 59.168 58.000 0.096 0.000 1.340 92 F CB -0.594 38.467 39.000 0.100 0.000 1.031 92 F HN -0.306 nan 8.300 nan 0.000 0.500 93 V N 0.655 120.663 119.914 0.157 0.000 2.307 93 V HA -0.309 3.812 4.120 0.001 0.000 0.245 93 V C 2.357 178.457 176.094 0.010 0.000 1.045 93 V CA 2.135 64.481 62.300 0.077 0.000 1.024 93 V CB -0.611 31.273 31.823 0.103 0.000 0.651 93 V HN 0.300 nan 8.190 nan 0.000 0.449 94 I N -0.551 120.036 120.570 0.028 0.000 2.226 94 I HA -0.272 3.898 4.170 0.001 0.000 0.245 94 I C 2.403 178.507 176.117 -0.022 0.000 1.100 94 I CA 1.583 62.893 61.300 0.017 0.000 1.374 94 I CB -0.348 37.673 38.000 0.036 0.000 1.057 94 I HN 0.259 nan 8.210 nan 0.000 0.413 95 L N 0.305 121.483 121.223 -0.076 0.000 2.056 95 L HA -0.197 4.143 4.340 0.001 0.000 0.207 95 L C 2.552 179.320 176.870 -0.170 0.000 1.078 95 L CA 1.306 56.069 54.840 -0.128 0.000 0.749 95 L CB -0.126 41.812 42.059 -0.202 0.000 0.901 95 L HN 0.258 nan 8.230 nan 0.000 0.433 96 L N -0.522 120.541 121.223 -0.267 0.000 2.042 96 L HA -0.283 4.057 4.340 0.001 0.000 0.210 96 L C 2.422 179.236 176.870 -0.094 0.000 1.076 96 L CA 1.447 56.151 54.840 -0.226 0.000 0.749 96 L CB -0.341 41.581 42.059 -0.229 0.000 0.893 96 L HN 0.258 nan 8.230 nan 0.000 0.432 97 I N -0.514 120.025 120.570 -0.052 0.000 2.226 97 I HA -0.326 3.845 4.170 0.001 0.000 0.245 97 I C 2.374 178.481 176.117 -0.016 0.000 1.100 97 I CA 1.312 62.599 61.300 -0.020 0.000 1.374 97 I CB -0.245 37.757 38.000 0.003 0.000 1.057 97 I HN 0.189 nan 8.210 nan 0.000 0.413 98 L N 0.146 121.376 121.223 0.011 0.000 2.046 98 L HA -0.214 4.127 4.340 0.001 0.000 0.208 98 L C 2.500 179.383 176.870 0.022 0.000 1.077 98 L CA 1.480 56.359 54.840 0.066 0.000 0.747 98 L CB -0.448 41.742 42.059 0.217 0.000 0.896 98 L HN 0.217 nan 8.230 nan 0.000 0.432 99 I N -0.277 120.305 120.570 0.019 0.000 2.202 99 I HA -0.258 3.912 4.170 0.001 0.000 0.242 99 I C 2.808 178.900 176.117 -0.042 0.000 1.091 99 I CA 1.125 62.425 61.300 0.000 0.000 1.368 99 I CB -0.451 37.535 38.000 -0.025 0.000 1.058 99 I HN 0.184 nan 8.210 nan 0.000 0.410 100 A N 0.869 123.660 122.820 -0.048 0.000 1.908 100 A HA -0.294 4.027 4.320 0.001 0.000 0.218 100 A C 2.049 179.599 177.584 -0.057 0.000 1.181 100 A CA 2.469 54.476 52.037 -0.050 0.000 0.627 100 A CB -1.009 17.965 19.000 -0.044 0.000 0.818 100 A HN 0.504 nan 8.150 nan 0.000 0.445 101 N N -0.048 118.611 118.700 -0.068 0.000 2.166 101 N HA -0.080 4.661 4.740 0.001 0.000 0.186 101 N C 1.675 177.106 175.510 -0.133 0.000 1.019 101 N CA 1.803 54.801 53.050 -0.088 0.000 0.856 101 N CB -0.292 38.136 38.487 -0.097 0.000 0.993 101 N HN 0.374 nan 8.380 nan 0.000 0.426 102 A N 0.226 122.932 122.820 -0.189 0.000 1.897 102 A HA 0.003 4.324 4.320 0.001 0.000 0.215 102 A C 2.229 179.753 177.584 -0.099 0.000 1.181 102 A CA 0.876 52.771 52.037 -0.236 0.000 0.620 102 A CB -0.637 18.172 19.000 -0.318 0.000 0.821 102 A HN 0.373 nan 8.150 nan 0.000 0.443 103 I N -0.347 120.192 120.570 -0.051 0.000 2.163 103 I HA -0.234 3.937 4.170 0.001 0.000 0.243 103 I C 2.353 178.505 176.117 0.059 0.000 1.085 103 I CA 1.219 62.518 61.300 -0.001 0.000 1.347 103 I CB -0.329 37.656 38.000 -0.025 0.000 1.044 103 I HN 0.155 nan 8.210 nan 0.000 0.408 104 V N 0.964 120.905 119.914 0.045 0.000 2.295 104 V HA -0.231 3.889 4.120 0.001 0.000 0.246 104 V C 2.602 178.805 176.094 0.182 0.000 1.049 104 V CA 2.246 64.635 62.300 0.148 0.000 1.024 104 V CB -1.515 30.358 31.823 0.083 0.000 0.648 104 V HN 0.582 nan 8.190 nan 0.000 0.447 105 G N -0.294 108.537 108.800 0.051 0.000 2.446 105 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 105 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 105 G C 1.694 176.602 174.900 0.013 0.000 1.168 105 G CA 1.248 46.351 45.100 0.005 0.000 0.771 105 G HN 0.369 nan 8.290 nan 0.000 0.551 106 V N -0.390 119.539 119.914 0.026 0.000 2.343 106 V HA -0.148 3.972 4.120 0.001 0.000 0.247 106 V C 2.254 178.406 176.094 0.096 0.000 1.051 106 V CA 1.853 64.176 62.300 0.039 0.000 1.036 106 V CB -0.523 31.323 31.823 0.039 0.000 0.654 106 V HN 0.665 nan 8.190 nan 0.000 0.451 107 W N 0.831 122.109 121.300 -0.035 0.000 2.363 107 W HA -0.189 4.471 4.660 0.001 0.000 0.296 107 W C 2.403 178.908 176.519 -0.024 0.000 1.212 107 W CA 1.719 59.049 57.345 -0.025 0.000 1.260 107 W CB -0.271 29.175 29.460 -0.024 0.000 1.131 107 W HN 0.250 nan 8.180 nan 0.000 0.530 108 Q N -0.231 119.475 119.800 -0.157 0.000 2.170 108 Q HA -0.199 4.142 4.340 0.001 0.000 0.203 108 Q C 2.050 177.885 176.000 -0.275 0.000 0.976 108 Q CA 1.486 57.082 55.803 -0.345 0.000 0.858 108 Q CB -0.234 28.418 28.738 -0.143 0.000 0.907 108 Q HN 0.318 nan 8.270 nan 0.000 0.433 109 E N 0.335 120.438 120.200 -0.161 0.000 2.112 109 E HA -0.110 4.240 4.350 0.001 0.000 0.190 109 E C 1.854 178.377 176.600 -0.128 0.000 0.979 109 E CA 0.477 56.805 56.400 -0.120 0.000 0.814 109 E CB -0.027 29.631 29.700 -0.069 0.000 0.762 109 E HN 0.228 nan 8.360 nan 0.000 0.460 110 R N 1.532 121.951 120.500 -0.134 0.000 2.115 110 R HA -0.085 4.256 4.340 0.001 0.000 0.230 110 R C 1.750 177.957 176.300 -0.156 0.000 1.111 110 R CA 1.329 57.366 56.100 -0.105 0.000 0.976 110 R CB -0.012 30.262 30.300 -0.043 0.000 0.870 110 R HN 0.155 nan 8.270 nan 0.000 0.445 111 N N 0.056 118.584 118.700 -0.286 0.000 2.353 111 N HA -0.008 4.733 4.740 0.001 0.000 0.185 111 N C -0.260 175.119 175.510 -0.219 0.000 1.098 111 N CA 0.239 53.118 53.050 -0.285 0.000 0.872 111 N CB 0.262 38.461 38.487 -0.480 0.000 0.970 111 N HN 0.018 nan 8.380 nan 0.000 0.467 112 A N 0.956 123.659 122.820 -0.196 0.000 2.401 112 A HA 0.376 4.697 4.320 0.001 0.000 0.259 112 A C -0.476 177.051 177.584 -0.095 0.000 1.103 112 A CA -0.286 51.668 52.037 -0.139 0.000 0.789 112 A CB 0.149 19.074 19.000 -0.125 0.000 1.035 112 A HN 0.448 nan 8.150 nan 0.000 0.491 113 E N 1.122 121.277 120.200 -0.076 0.000 2.199 113 E HA 0.469 4.820 4.350 0.001 0.000 0.269 113 E C -0.671 175.903 176.600 -0.042 0.000 0.899 113 E CA -0.750 55.618 56.400 -0.054 0.000 0.772 113 E CB 1.328 31.000 29.700 -0.047 0.000 1.155 113 E HN 0.767 nan 8.360 nan 0.000 0.408 114 N N 0.388 119.068 118.700 -0.032 0.000 2.370 114 N HA 0.502 5.243 4.740 0.001 0.000 0.303 114 N C 0.134 175.636 175.510 -0.013 0.000 1.103 114 N CA -0.641 52.395 53.050 -0.024 0.000 0.848 114 N CB 1.711 40.184 38.487 -0.022 0.000 1.235 114 N HN 0.414 nan 8.380 nan 0.000 0.496 115 A N 1.865 124.681 122.820 -0.008 0.000 1.930 115 A HA -0.063 4.258 4.320 0.001 0.000 0.217 115 A C 1.837 179.429 177.584 0.012 0.000 1.175 115 A CA 0.959 52.998 52.037 0.003 0.000 0.627 115 A CB -1.049 17.952 19.000 0.002 0.000 0.815 115 A HN 0.793 nan 8.150 nan 0.000 0.443 116 I N -0.147 120.427 120.570 0.007 0.000 2.264 116 I HA -0.238 3.932 4.170 0.001 0.000 0.248 116 I C 2.153 178.279 176.117 0.016 0.000 1.111 116 I CA 1.316 62.623 61.300 0.012 0.000 1.382 116 I CB -0.242 37.762 38.000 0.006 0.000 1.060 116 I HN 0.252 nan 8.210 nan 0.000 0.418 117 E N 0.641 120.844 120.200 0.006 0.000 2.358 117 E HA -0.032 4.319 4.350 0.001 0.000 0.195 117 E C 2.164 178.764 176.600 0.002 0.000 1.010 117 E CA 0.955 57.356 56.400 0.002 0.000 0.856 117 E CB -0.098 29.598 29.700 -0.008 0.000 0.795 117 E HN 0.487 nan 8.360 nan 0.000 0.504 118 A N 0.498 123.323 122.820 0.008 0.000 2.119 118 A HA 0.022 4.342 4.320 0.001 0.000 0.216 118 A C 2.169 179.780 177.584 0.045 0.000 1.152 118 A CA 0.256 52.298 52.037 0.009 0.000 0.708 118 A CB -0.360 18.649 19.000 0.015 0.000 0.805 118 A HN 0.157 nan 8.150 nan 0.000 0.460 119 L N -0.742 120.529 121.223 0.080 0.000 2.141 119 L HA -0.129 4.212 4.340 0.001 0.000 0.209 119 L C 2.239 179.189 176.870 0.134 0.000 1.094 119 L CA 1.199 56.133 54.840 0.157 0.000 0.763 119 L CB -0.293 41.830 42.059 0.107 0.000 0.908 119 L HN 0.288 nan 8.230 nan 0.000 0.437 120 K N -0.049 120.382 120.400 0.051 0.000 2.442 120 K HA -0.223 4.098 4.320 0.001 0.000 0.198 120 K C 1.859 178.444 176.600 -0.026 0.000 1.044 120 K CA 0.735 57.036 56.287 0.023 0.000 0.948 120 K CB -0.063 32.441 32.500 0.006 0.000 0.762 120 K HN 0.315 nan 8.250 nan 0.000 0.472 121 E N 0.156 120.294 120.200 -0.104 0.000 2.160 121 E HA -0.208 4.143 4.350 0.001 0.000 0.195 121 E C 0.556 176.961 176.600 -0.326 0.000 0.991 121 E CA 1.221 57.454 56.400 -0.278 0.000 0.810 121 E CB 0.080 29.493 29.700 -0.479 0.000 0.742 121 E HN 0.411 nan 8.360 nan 0.000 0.466 122 Y N 0.715 121.019 120.300 0.007 0.000 2.493 122 Y HA 0.155 4.705 4.550 0.001 0.000 0.275 122 Y C -0.178 175.732 175.900 0.017 0.000 1.183 122 Y CA -0.001 58.107 58.100 0.013 0.000 1.258 122 Y CB 0.391 38.859 38.460 0.014 0.000 1.108 122 Y HN 0.040 nan 8.280 nan 0.000 0.521 123 E N 1.385 121.649 120.200 0.107 0.000 2.114 123 E HA 0.353 4.703 4.350 0.001 0.000 0.266 123 E C -2.842 173.782 176.600 0.040 0.000 0.896 123 E CA -2.342 54.104 56.400 0.076 0.000 0.750 123 E CB 1.262 31.001 29.700 0.065 0.000 1.121 123 E HN -0.027 nan 8.360 nan 0.000 0.413 124 P HA -0.019 nan 4.420 nan 0.000 0.272 124 P C 0.251 177.560 177.300 0.014 0.000 1.230 124 P CA -0.195 62.918 63.100 0.022 0.000 0.788 124 P CB 1.435 33.150 31.700 0.026 0.000 0.949 125 E N 0.201 120.403 120.200 0.004 0.000 2.072 125 E HA -0.081 4.269 4.350 0.001 0.000 0.191 125 E C 0.310 176.913 176.600 0.004 0.000 0.985 125 E CA 1.041 57.442 56.400 0.002 0.000 0.801 125 E CB 0.091 29.788 29.700 -0.004 0.000 0.750 125 E HN 0.354 nan 8.360 nan 0.000 0.452 126 M N -0.819 118.783 119.600 0.002 0.000 2.690 126 M HA 0.535 5.016 4.480 0.001 0.000 0.302 126 M C 0.247 176.545 176.300 -0.002 0.000 1.234 126 M CA -0.657 54.642 55.300 -0.002 0.000 0.853 126 M CB 1.576 34.171 32.600 -0.009 0.000 1.748 126 M HN 0.020 nan 8.290 nan 0.000 0.469 127 G N 0.714 109.508 108.800 -0.010 0.000 2.788 127 G HA2 0.748 4.708 3.960 0.001 0.000 0.293 127 G HA3 0.748 4.708 3.960 0.001 0.000 0.293 127 G C -1.677 173.201 174.900 -0.036 0.000 1.392 127 G CA -0.713 44.378 45.100 -0.015 0.000 0.810 127 G HN 0.533 nan 8.290 nan 0.000 0.508 128 K N 0.054 120.426 120.400 -0.047 0.000 2.463 128 K HA 0.588 4.909 4.320 0.001 0.000 0.255 128 K C -0.686 175.853 176.600 -0.103 0.000 0.942 128 K CA -0.689 55.543 56.287 -0.092 0.000 0.814 128 K CB 2.391 34.834 32.500 -0.095 0.000 1.122 128 K HN 0.596 nan 8.250 nan 0.000 0.425 129 V N -0.360 119.463 119.914 -0.151 0.000 3.001 129 V HA 0.583 4.703 4.120 0.001 0.000 0.314 129 V C -1.313 174.637 176.094 -0.240 0.000 1.099 129 V CA -0.976 61.258 62.300 -0.111 0.000 0.989 129 V CB 1.198 32.991 31.823 -0.051 0.000 1.040 129 V HN 0.587 nan 8.190 nan 0.000 0.434 130 Y N 1.619 121.904 120.300 -0.024 0.000 2.331 130 Y HA 0.783 5.334 4.550 0.001 0.000 0.338 130 Y C 0.559 176.442 175.900 -0.029 0.000 0.976 130 Y CA -0.364 57.723 58.100 -0.022 0.000 1.137 130 Y CB 1.770 40.220 38.460 -0.018 0.000 1.172 130 Y HN 0.593 nan 8.280 nan 0.000 0.478 131 R N 0.849 121.402 120.500 0.088 0.000 2.803 131 R HA 0.608 4.948 4.340 0.001 0.000 0.276 131 R C 0.676 177.002 176.300 0.042 0.000 0.978 131 R CA -0.494 55.630 56.100 0.039 0.000 0.939 131 R CB 1.688 31.986 30.300 -0.003 0.000 1.179 131 R HN 0.825 nan 8.270 nan 0.000 0.472 132 A N 1.415 124.248 122.820 0.021 0.000 1.986 132 A HA -0.227 4.093 4.320 0.001 0.000 0.220 132 A C 1.352 178.946 177.584 0.016 0.000 1.171 132 A CA 2.117 54.165 52.037 0.018 0.000 0.640 132 A CB -0.487 18.515 19.000 0.003 0.000 0.811 132 A HN 0.883 nan 8.150 nan 0.000 0.451 133 D N -1.170 119.236 120.400 0.009 0.000 2.371 133 D HA -0.039 4.601 4.640 0.001 0.000 0.221 133 D C 0.789 177.096 176.300 0.011 0.000 0.986 133 D CA 0.534 54.538 54.000 0.006 0.000 0.899 133 D CB -0.082 40.717 40.800 -0.001 0.000 0.902 133 D HN 0.445 nan 8.370 nan 0.000 0.530 134 R N -0.878 119.635 120.500 0.021 0.000 2.698 134 R HA 0.231 4.572 4.340 0.001 0.000 0.275 134 R C 0.453 176.788 176.300 0.057 0.000 1.001 134 R CA -0.768 55.347 56.100 0.026 0.000 0.896 134 R CB 1.977 32.282 30.300 0.008 0.000 1.218 134 R HN -0.193 nan 8.270 nan 0.000 0.462 135 K N 1.187 121.621 120.400 0.057 0.000 2.007 135 K HA 0.017 4.338 4.320 0.001 0.000 0.206 135 K C 0.527 177.217 176.600 0.150 0.000 1.047 135 K CA 1.591 57.929 56.287 0.086 0.000 0.937 135 K CB -0.094 32.438 32.500 0.055 0.000 0.718 135 K HN 0.537 nan 8.250 nan 0.000 0.438 136 S N 0.048 115.805 115.700 0.095 0.000 2.632 136 S HA 0.239 4.709 4.470 0.001 0.000 0.267 136 S C 0.176 174.742 174.600 -0.057 0.000 1.276 136 S CA -0.820 57.432 58.200 0.088 0.000 0.998 136 S CB 1.274 64.493 63.200 0.033 0.000 0.953 136 S HN 0.097 nan 8.310 nan 0.000 0.547 137 V N 2.386 122.145 119.914 -0.257 0.000 2.763 137 V HA 0.158 4.279 4.120 0.001 0.000 0.306 137 V C 0.036 175.935 176.094 -0.325 0.000 1.059 137 V CA 0.215 62.107 62.300 -0.679 0.000 1.138 137 V CB 0.489 31.893 31.823 -0.699 0.000 0.940 137 V HN 0.973 nan 8.190 nan 0.000 0.489 138 Q N 6.494 126.112 119.800 -0.303 0.000 2.339 138 Q HA 0.489 4.829 4.340 0.001 0.000 0.268 138 Q C -0.573 175.348 176.000 -0.132 0.000 1.027 138 Q CA -0.847 54.860 55.803 -0.160 0.000 0.759 138 Q CB 1.186 29.860 28.738 -0.107 0.000 1.244 138 Q HN 0.842 nan 8.270 nan 0.000 0.464 139 R N 2.938 123.379 120.500 -0.098 0.000 2.316 139 R HA 0.531 4.872 4.340 0.001 0.000 0.314 139 R C -0.123 176.148 176.300 -0.047 0.000 1.069 139 R CA -0.210 55.848 56.100 -0.070 0.000 0.959 139 R CB 0.070 30.337 30.300 -0.054 0.000 0.987 139 R HN 0.769 nan 8.270 nan 0.000 0.446 140 I N -2.144 118.403 120.570 -0.039 0.000 3.108 140 I HA 0.495 4.665 4.170 0.001 0.000 0.312 140 I C -0.704 175.408 176.117 -0.009 0.000 1.095 140 I CA -1.785 59.503 61.300 -0.021 0.000 1.000 140 I CB 2.073 40.062 38.000 -0.018 0.000 1.229 140 I HN 0.432 nan 8.210 nan 0.000 0.454 141 K N 1.880 122.282 120.400 0.003 0.000 2.401 141 K HA 0.228 4.548 4.320 0.001 0.000 0.278 141 K C 0.986 177.600 176.600 0.022 0.000 1.018 141 K CA 0.404 56.697 56.287 0.011 0.000 0.981 141 K CB 1.307 33.816 32.500 0.016 0.000 0.933 141 K HN 0.784 nan 8.250 nan 0.000 0.477 142 A N 4.239 127.072 122.820 0.021 0.000 1.978 142 A HA -0.227 4.094 4.320 0.001 0.000 0.220 142 A C 2.001 179.616 177.584 0.050 0.000 1.170 142 A CA 1.623 53.677 52.037 0.028 0.000 0.636 142 A CB -0.464 18.552 19.000 0.027 0.000 0.810 142 A HN 0.909 nan 8.150 nan 0.000 0.448 143 R N -0.782 119.757 120.500 0.065 0.000 2.237 143 R HA -0.070 4.271 4.340 0.001 0.000 0.219 143 R C 0.187 176.612 176.300 0.209 0.000 1.080 143 R CA 1.524 57.695 56.100 0.118 0.000 0.995 143 R CB -0.427 29.918 30.300 0.076 0.000 0.875 143 R HN 0.290 nan 8.270 nan 0.000 0.462 144 D N 0.904 121.391 120.400 0.144 0.000 2.339 144 D HA 0.154 4.795 4.640 0.001 0.000 0.217 144 D C 0.486 176.813 176.300 0.045 0.000 1.050 144 D CA 0.176 54.251 54.000 0.124 0.000 0.856 144 D CB 0.221 41.077 40.800 0.093 0.000 0.922 144 D HN 0.253 nan 8.370 nan 0.000 0.518 145 I N 1.665 122.256 120.570 0.035 0.000 2.529 145 I HA 0.023 4.194 4.170 0.001 0.000 0.284 145 I C 0.472 176.586 176.117 -0.005 0.000 1.082 145 I CA -0.371 60.930 61.300 0.002 0.000 1.406 145 I CB 1.073 39.070 38.000 -0.004 0.000 1.405 145 I HN -0.239 nan 8.210 nan 0.000 0.548 146 V N 4.027 123.925 119.914 -0.027 0.000 2.960 146 V HA 0.628 4.748 4.120 0.001 0.000 0.315 146 V C -2.723 173.290 176.094 -0.136 0.000 1.087 146 V CA -2.884 59.404 62.300 -0.021 0.000 0.982 146 V CB 1.352 33.223 31.823 0.080 0.000 1.039 146 V HN 0.445 nan 8.190 nan 0.000 0.437 147 P HA 0.335 nan 4.420 nan 0.000 0.264 147 P C 0.972 177.783 177.300 -0.815 0.000 1.183 147 P CA 1.968 64.717 63.100 -0.585 0.000 0.763 147 P CB 0.743 31.960 31.700 -0.804 0.000 0.807 148 G N 1.871 109.903 108.800 -1.281 0.000 2.254 148 G HA2 -0.191 3.770 3.960 0.001 0.000 0.225 148 G HA3 -0.191 3.770 3.960 0.001 0.000 0.225 148 G C 0.073 174.769 174.900 -0.341 0.000 1.003 148 G CA -0.337 44.170 45.100 -0.989 0.000 0.622 148 G HN 0.510 nan 8.290 nan 0.000 0.507 149 D N 0.858 121.107 120.400 -0.252 0.000 2.488 149 D HA 0.320 4.961 4.640 0.001 0.000 0.238 149 D C 0.599 176.855 176.300 -0.074 0.000 1.138 149 D CA 0.198 54.125 54.000 -0.122 0.000 0.873 149 D CB 0.689 41.435 40.800 -0.090 0.000 1.183 149 D HN 0.189 nan 8.370 nan 0.000 0.458 150 I N 3.038 123.601 120.570 -0.011 0.000 2.379 150 I HA 0.027 4.197 4.170 0.001 0.000 0.290 150 I C 0.185 176.353 176.117 0.084 0.000 1.063 150 I CA -0.018 61.307 61.300 0.042 0.000 1.351 150 I CB 0.970 39.010 38.000 0.067 0.000 1.410 150 I HN -0.008 nan 8.210 nan 0.000 0.505 151 V N 6.557 126.508 119.914 0.061 0.000 2.628 151 V HA 0.434 4.555 4.120 0.001 0.000 0.306 151 V C -0.129 176.018 176.094 0.090 0.000 1.045 151 V CA -0.796 61.536 62.300 0.054 0.000 0.905 151 V CB 2.003 33.830 31.823 0.006 0.000 0.997 151 V HN 0.678 nan 8.190 nan 0.000 0.436 152 E N 2.531 122.783 120.200 0.086 0.000 2.187 152 E HA 0.680 5.031 4.350 0.001 0.000 0.268 152 E C -1.279 175.344 176.600 0.039 0.000 0.896 152 E CA -0.531 55.928 56.400 0.098 0.000 0.766 152 E CB 2.003 31.800 29.700 0.162 0.000 1.142 152 E HN 0.610 nan 8.360 nan 0.000 0.408 153 V N 0.568 120.502 119.914 0.033 0.000 2.823 153 V HA 1.020 5.141 4.120 0.001 0.000 0.312 153 V C -0.666 175.439 176.094 0.019 0.000 1.072 153 V CA -0.601 61.710 62.300 0.018 0.000 0.937 153 V CB 1.324 33.152 31.823 0.009 0.000 1.013 153 V HN 0.762 nan 8.190 nan 0.000 0.430 154 A N 2.378 125.207 122.820 0.016 0.000 2.594 154 A HA 0.816 5.136 4.320 0.001 0.000 0.291 154 A C -0.335 177.258 177.584 0.014 0.000 1.105 154 A CA -0.405 51.641 52.037 0.016 0.000 0.694 154 A CB 1.724 20.734 19.000 0.017 0.000 1.291 154 A HN 2.140 nan 8.150 nan 0.000 0.410 155 V N 1.385 121.308 119.914 0.014 0.000 2.742 155 V HA 0.313 4.434 4.120 0.001 0.000 0.302 155 V C 1.457 177.560 176.094 0.015 0.000 1.133 155 V CA 2.833 65.142 62.300 0.015 0.000 1.284 155 V CB 0.175 32.007 31.823 0.015 0.000 0.850 155 V HN 2.733 nan 8.190 nan 0.000 0.494 156 G N 4.261 113.072 108.800 0.018 0.000 2.241 156 G HA2 -0.206 3.755 3.960 0.001 0.000 0.244 156 G HA3 -0.206 3.755 3.960 0.001 0.000 0.244 156 G C 0.021 174.933 174.900 0.020 0.000 0.998 156 G CA 0.207 45.318 45.100 0.018 0.000 0.621 156 G HN 0.804 nan 8.290 nan 0.000 0.519 157 D N 0.945 121.357 120.400 0.019 0.000 2.414 157 D HA 0.405 5.046 4.640 0.001 0.000 0.242 157 D C 0.524 176.842 176.300 0.031 0.000 1.129 157 D CA 0.290 54.302 54.000 0.020 0.000 0.885 157 D CB 1.095 41.904 40.800 0.016 0.000 1.198 157 D HN 0.399 nan 8.370 nan 0.000 0.437 158 K N 1.377 121.798 120.400 0.035 0.000 2.248 158 K HA 0.267 4.588 4.320 0.001 0.000 0.281 158 K C -0.785 175.844 176.600 0.048 0.000 1.054 158 K CA -0.693 55.626 56.287 0.053 0.000 0.903 158 K CB 0.792 33.328 32.500 0.061 0.000 1.077 158 K HN 0.109 nan 8.250 nan 0.000 0.474 159 V N 7.905 127.852 119.914 0.054 0.000 2.493 159 V HA 0.018 4.138 4.120 0.001 0.000 0.292 159 V C -1.310 174.814 176.094 0.049 0.000 1.016 159 V CA -0.884 61.441 62.300 0.042 0.000 1.097 159 V CB 0.953 32.801 31.823 0.041 0.000 0.947 159 V HN 0.884 nan 8.190 nan 0.000 0.479 160 P HA 0.179 nan 4.420 nan 0.000 0.230 160 P C 0.172 177.493 177.300 0.035 0.000 1.168 160 P CA 0.848 63.968 63.100 0.033 0.000 0.793 160 P CB 0.737 32.448 31.700 0.018 0.000 0.851 161 A N -0.708 122.129 122.820 0.028 0.000 2.568 161 A HA 0.513 4.834 4.320 0.001 0.000 0.291 161 A C -1.586 176.016 177.584 0.030 0.000 1.159 161 A CA -0.551 51.502 52.037 0.027 0.000 0.679 161 A CB 0.201 19.201 19.000 0.001 0.000 1.285 161 A HN -0.241 nan 8.150 nan 0.000 0.428 162 D N 0.978 121.401 120.400 0.039 0.000 2.336 162 D HA 0.524 5.165 4.640 0.001 0.000 0.249 162 D C -0.675 175.617 176.300 -0.013 0.000 1.213 162 D CA 0.888 54.912 54.000 0.041 0.000 0.870 162 D CB 0.311 41.173 40.800 0.104 0.000 1.076 162 D HN 0.377 nan 8.370 nan 0.000 0.483 163 I N 2.351 122.883 120.570 -0.062 0.000 2.465 163 I HA 0.262 4.432 4.170 0.001 0.000 0.291 163 I C 0.346 176.417 176.117 -0.077 0.000 1.014 163 I CA -1.008 60.256 61.300 -0.060 0.000 1.093 163 I CB 1.732 39.700 38.000 -0.054 0.000 1.267 163 I HN -0.068 nan 8.210 nan 0.000 0.431 164 R N 6.403 126.883 120.500 -0.033 0.000 2.234 164 R HA 0.455 4.795 4.340 0.001 0.000 0.324 164 R C -0.669 175.617 176.300 -0.024 0.000 1.054 164 R CA -0.603 55.483 56.100 -0.023 0.000 0.912 164 R CB 0.481 30.791 30.300 0.017 0.000 1.030 164 R HN 0.557 nan 8.270 nan 0.000 0.455 165 I N 6.292 126.841 120.570 -0.035 0.000 2.533 165 I HA -0.080 4.090 4.170 0.001 0.000 0.284 165 I C 1.537 177.650 176.117 -0.006 0.000 1.109 165 I CA 0.034 61.319 61.300 -0.025 0.000 1.412 165 I CB 0.676 38.656 38.000 -0.034 0.000 1.396 165 I HN 0.477 nan 8.210 nan 0.000 0.543 166 L N 4.780 126.002 121.223 -0.002 0.000 2.189 166 L HA 0.095 4.435 4.340 0.001 0.000 0.199 166 L C 0.656 177.526 176.870 -0.000 0.000 1.074 166 L CA 0.653 55.494 54.840 0.002 0.000 0.783 166 L CB -0.111 41.949 42.059 0.001 0.000 0.955 166 L HN 0.780 nan 8.230 nan 0.000 0.460 167 S N -0.915 114.782 115.700 -0.004 0.000 2.533 167 S HA 0.546 5.017 4.470 0.001 0.000 0.271 167 S C -0.900 173.699 174.600 -0.002 0.000 1.143 167 S CA -0.741 57.457 58.200 -0.003 0.000 0.891 167 S CB 1.657 64.851 63.200 -0.010 0.000 1.105 167 S HN 0.051 nan 8.310 nan 0.000 0.468 168 I N 3.165 123.736 120.570 0.002 0.000 2.315 168 I HA 0.338 4.508 4.170 0.001 0.000 0.291 168 I C 0.938 177.057 176.117 0.003 0.000 1.006 168 I CA -0.674 60.627 61.300 0.002 0.000 1.265 168 I CB 1.222 39.223 38.000 0.001 0.000 1.387 168 I HN 0.642 nan 8.210 nan 0.000 0.475 169 K N 3.701 124.104 120.400 0.004 0.000 2.426 169 K HA 0.096 4.416 4.320 0.001 0.000 0.193 169 K C 0.674 177.278 176.600 0.007 0.000 1.028 169 K CA 0.236 56.526 56.287 0.005 0.000 1.047 169 K CB 0.041 32.546 32.500 0.009 0.000 0.821 169 K HN 0.713 nan 8.250 nan 0.000 0.513 170 S N -0.969 114.736 115.700 0.008 0.000 2.766 170 S HA 0.286 4.756 4.470 0.001 0.000 0.307 170 S C 1.267 175.874 174.600 0.012 0.000 1.121 170 S CA -0.618 57.589 58.200 0.010 0.000 0.980 170 S CB 1.301 64.508 63.200 0.012 0.000 1.159 170 S HN 0.003 nan 8.310 nan 0.000 0.546 171 T N 1.708 116.270 114.554 0.015 0.000 2.635 171 T HA -0.002 4.349 4.350 0.001 0.000 0.267 171 T C 1.050 175.765 174.700 0.024 0.000 1.040 171 T CA 1.992 64.103 62.100 0.018 0.000 1.156 171 T CB -0.936 67.946 68.868 0.025 0.000 0.863 171 T HN 1.043 nan 8.240 nan 0.000 0.430 172 T N -1.003 113.564 114.554 0.022 0.000 2.883 172 T HA 0.664 5.015 4.350 0.001 0.000 0.296 172 T C -1.427 173.271 174.700 -0.003 0.000 1.117 172 T CA -1.090 61.019 62.100 0.014 0.000 1.006 172 T CB 2.030 70.915 68.868 0.029 0.000 1.191 172 T HN 0.073 nan 8.240 nan 0.000 0.508 173 L N 1.388 122.592 121.223 -0.031 0.000 2.325 173 L HA 0.660 5.000 4.340 0.001 0.000 0.281 173 L C -0.503 176.345 176.870 -0.037 0.000 1.004 173 L CA -0.559 54.261 54.840 -0.033 0.000 0.823 173 L CB 1.167 43.199 42.059 -0.044 0.000 1.236 173 L HN 0.620 nan 8.230 nan 0.000 0.415 174 R N 4.118 124.611 120.500 -0.011 0.000 2.514 174 R HA 0.769 5.110 4.340 0.001 0.000 0.301 174 R C -1.476 174.828 176.300 0.007 0.000 0.962 174 R CA -0.784 55.317 56.100 0.001 0.000 0.882 174 R CB 2.172 32.481 30.300 0.016 0.000 1.143 174 R HN 0.444 nan 8.270 nan 0.000 0.452 175 V N 1.883 121.806 119.914 0.015 0.000 2.686 175 V HA 0.102 4.222 4.120 0.001 0.000 0.306 175 V C -0.640 175.479 176.094 0.041 0.000 1.065 175 V CA -0.960 61.356 62.300 0.025 0.000 0.894 175 V CB 2.276 34.111 31.823 0.019 0.000 1.004 175 V HN 0.600 nan 8.190 nan 0.000 0.424 176 D N 4.142 124.569 120.400 0.044 0.000 2.441 176 D HA 0.271 4.912 4.640 0.001 0.000 0.221 176 D C 0.615 176.948 176.300 0.055 0.000 1.156 176 D CA -0.174 53.854 54.000 0.047 0.000 0.896 176 D CB 0.917 41.742 40.800 0.043 0.000 1.028 176 D HN 0.707 nan 8.370 nan 0.000 0.509 177 Q N 1.626 121.462 119.800 0.060 0.000 2.141 177 Q HA 0.133 4.474 4.340 0.001 0.000 0.248 177 Q C 0.882 176.890 176.000 0.013 0.000 0.834 177 Q CA -0.398 55.443 55.803 0.063 0.000 1.096 177 Q CB 0.285 29.115 28.738 0.153 0.000 1.189 177 Q HN 0.292 nan 8.270 nan 0.000 0.471 178 S N 1.484 117.189 115.700 0.008 0.000 2.383 178 S HA -0.258 4.212 4.470 0.001 0.000 0.229 178 S C 1.992 176.565 174.600 -0.044 0.000 1.030 178 S CA 1.404 59.600 58.200 -0.008 0.000 1.002 178 S CB -0.924 62.280 63.200 0.007 0.000 0.829 178 S HN 0.691 nan 8.310 nan 0.000 0.467 179 I N -1.276 119.249 120.570 -0.075 0.000 2.530 179 I HA -0.025 4.145 4.170 0.001 0.000 0.257 179 I C 2.127 178.133 176.117 -0.185 0.000 1.179 179 I CA 1.478 62.683 61.300 -0.158 0.000 1.440 179 I CB -0.318 37.479 38.000 -0.338 0.000 1.087 179 I HN 0.235 nan 8.210 nan 0.000 0.440 180 L N 0.174 121.299 121.223 -0.164 0.000 2.537 180 L HA 0.121 4.462 4.340 0.001 0.000 0.224 180 L C 2.107 178.875 176.870 -0.170 0.000 1.065 180 L CA 1.046 55.765 54.840 -0.202 0.000 0.860 180 L CB 0.155 42.046 42.059 -0.280 0.000 1.086 180 L HN 0.457 nan 8.230 nan 0.000 0.482 181 T N -5.656 108.833 114.554 -0.109 0.000 2.975 181 T HA 0.230 4.581 4.350 0.001 0.000 0.261 181 T C 1.398 176.078 174.700 -0.034 0.000 0.984 181 T CA 0.492 62.549 62.100 -0.072 0.000 0.911 181 T CB 0.923 69.771 68.868 -0.033 0.000 1.127 181 T HN 0.246 nan 8.240 nan 0.000 0.514 182 G N 1.833 110.614 108.800 -0.033 0.000 2.166 182 G HA2 -0.270 3.691 3.960 0.001 0.000 0.260 182 G HA3 -0.270 3.691 3.960 0.001 0.000 0.260 182 G C -0.235 174.663 174.900 -0.002 0.000 0.986 182 G CA 0.259 45.350 45.100 -0.016 0.000 0.683 182 G HN 0.686 nan 8.290 nan 0.000 0.527 183 E N 0.616 120.819 120.200 0.006 0.000 2.299 183 E HA 0.403 4.754 4.350 0.001 0.000 0.272 183 E C 1.327 177.935 176.600 0.014 0.000 1.043 183 E CA 0.169 56.580 56.400 0.017 0.000 0.895 183 E CB 0.704 30.427 29.700 0.038 0.000 1.011 183 E HN 0.294 nan 8.360 nan 0.000 0.432 184 S N 1.878 117.582 115.700 0.007 0.000 2.336 184 S HA -0.082 4.388 4.470 0.001 0.000 0.214 184 S C 1.028 175.634 174.600 0.010 0.000 1.032 184 S CA 0.334 58.537 58.200 0.004 0.000 1.001 184 S CB 0.087 63.284 63.200 -0.005 0.000 0.953 184 S HN 0.304 nan 8.310 nan 0.000 0.430 185 V N 3.252 123.173 119.914 0.012 0.000 3.051 185 V HA 0.208 4.328 4.120 0.001 0.000 0.306 185 V C 0.686 176.799 176.094 0.032 0.000 1.083 185 V CA -0.697 61.615 62.300 0.020 0.000 1.104 185 V CB 0.827 32.664 31.823 0.023 0.000 1.027 185 V HN 0.600 nan 8.190 nan 0.000 0.483 186 S N 2.600 118.320 115.700 0.033 0.000 2.549 186 S HA 0.328 4.798 4.470 0.001 0.000 0.286 186 S C -0.301 174.327 174.600 0.048 0.000 1.314 186 S CA -0.576 57.647 58.200 0.039 0.000 1.062 186 S CB 0.778 63.997 63.200 0.033 0.000 0.865 186 S HN 1.166 nan 8.310 nan 0.000 0.498 187 V N 1.730 121.675 119.914 0.052 0.000 2.716 187 V HA 0.604 4.724 4.120 0.001 0.000 0.304 187 V C 0.153 176.265 176.094 0.030 0.000 1.053 187 V CA -1.255 61.082 62.300 0.061 0.000 0.984 187 V CB 0.558 32.429 31.823 0.080 0.000 1.021 187 V HN 0.892 nan 8.190 nan 0.000 0.467 188 I N 3.053 123.640 120.570 0.027 0.000 2.532 188 I HA 0.467 4.637 4.170 0.001 0.000 0.292 188 I C 0.264 176.273 176.117 -0.180 0.000 1.014 188 I CA -0.502 60.761 61.300 -0.061 0.000 1.340 188 I CB 1.250 39.240 38.000 -0.017 0.000 1.422 188 I HN 0.642 nan 8.210 nan 0.000 0.528 189 K N 5.082 125.302 120.400 -0.301 0.000 2.328 189 K HA 0.585 4.905 4.320 0.001 0.000 0.246 189 K C -0.740 175.535 176.600 -0.541 0.000 0.955 189 K CA -0.784 55.318 56.287 -0.307 0.000 0.817 189 K CB 2.325 34.736 32.500 -0.147 0.000 1.208 189 K HN 0.551 nan 8.250 nan 0.000 0.432 190 H N -0.630 118.440 119.070 -0.001 0.000 2.949 190 H HA 0.281 4.838 4.556 0.001 0.000 0.310 190 H C 0.566 175.883 175.328 -0.019 0.000 1.405 190 H CA -0.416 55.628 56.048 -0.007 0.000 1.253 190 H CB 1.662 31.409 29.762 -0.025 0.000 1.932 190 H HN 0.688 nan 8.280 nan 0.000 0.602 191 T N -2.633 111.994 114.554 0.122 0.000 3.003 191 T HA 0.118 4.469 4.350 0.001 0.000 0.261 191 T C 0.346 175.064 174.700 0.031 0.000 1.003 191 T CA -0.281 61.849 62.100 0.050 0.000 0.917 191 T CB 0.551 69.438 68.868 0.032 0.000 1.084 191 T HN 0.216 nan 8.240 nan 0.000 0.522 192 E N 3.611 123.827 120.200 0.027 0.000 2.366 192 E HA 0.309 4.660 4.350 0.001 0.000 0.266 192 E C -2.385 174.212 176.600 -0.005 0.000 1.051 192 E CA -2.459 53.936 56.400 -0.008 0.000 0.884 192 E CB 0.733 30.404 29.700 -0.048 0.000 1.006 192 E HN 0.292 nan 8.360 nan 0.000 0.417 193 P HA -0.004 nan 4.420 nan 0.000 0.267 193 P C -0.375 176.928 177.300 0.005 0.000 1.200 193 P CA -0.026 63.068 63.100 -0.009 0.000 0.772 193 P CB 0.511 32.194 31.700 -0.029 0.000 0.855 194 V N 5.478 125.423 119.914 0.051 0.000 2.311 194 V HA 0.131 4.251 4.120 0.001 0.000 0.275 194 V C -1.330 174.826 176.094 0.104 0.000 1.022 194 V CA -1.440 60.915 62.300 0.092 0.000 0.830 194 V CB 0.929 32.851 31.823 0.165 0.000 1.012 194 V HN 0.467 nan 8.190 nan 0.000 0.452 195 P HA -0.138 nan 4.420 nan 0.000 0.215 195 P C 0.564 177.894 177.300 0.049 0.000 1.157 195 P CA 0.954 64.067 63.100 0.020 0.000 0.874 195 P CB 0.123 31.826 31.700 0.004 0.000 0.790 196 D N -0.485 119.965 120.400 0.084 0.000 2.451 196 D HA -0.035 4.605 4.640 0.001 0.000 0.254 196 D C -1.466 174.963 176.300 0.213 0.000 1.204 196 D CA -1.339 52.723 54.000 0.103 0.000 0.896 196 D CB 0.548 41.396 40.800 0.080 0.000 1.136 196 D HN 0.075 nan 8.370 nan 0.000 0.499 197 P HA -0.029 nan 4.420 nan 0.000 0.223 197 P C 0.551 177.986 177.300 0.225 0.000 1.151 197 P CA 0.833 64.035 63.100 0.171 0.000 0.787 197 P CB 0.289 32.020 31.700 0.052 0.000 0.788 198 R N -0.523 120.056 120.500 0.131 0.000 2.515 198 R HA 0.411 4.752 4.340 0.001 0.000 0.294 198 R C 0.371 176.685 176.300 0.024 0.000 1.021 198 R CA -0.412 55.730 56.100 0.070 0.000 1.081 198 R CB 0.121 30.449 30.300 0.047 0.000 1.263 198 R HN 0.051 nan 8.270 nan 0.000 0.557 199 A N 1.547 124.367 122.820 0.000 0.000 2.546 199 A HA 0.162 4.483 4.320 0.001 0.000 0.243 199 A C 0.912 178.425 177.584 -0.117 0.000 1.063 199 A CA -0.273 51.717 52.037 -0.077 0.000 0.757 199 A CB 0.075 18.989 19.000 -0.145 0.000 0.991 199 A HN 0.217 nan 8.150 nan 0.000 0.503 200 V N 1.797 121.681 119.914 -0.050 0.000 3.096 200 V HA 0.103 4.224 4.120 0.001 0.000 0.306 200 V C 1.181 177.247 176.094 -0.046 0.000 1.088 200 V CA -0.163 62.110 62.300 -0.045 0.000 1.129 200 V CB 0.147 31.965 31.823 -0.008 0.000 1.014 200 V HN 0.846 nan 8.190 nan 0.000 0.486 201 N N 1.308 119.969 118.700 -0.065 0.000 2.137 201 N HA -0.197 4.543 4.740 0.001 0.000 0.190 201 N C 1.717 177.292 175.510 0.109 0.000 1.017 201 N CA 2.032 55.065 53.050 -0.028 0.000 0.859 201 N CB -0.416 37.836 38.487 -0.392 0.000 1.002 201 N HN 0.835 nan 8.380 nan 0.000 0.428 202 Q N 0.152 119.982 119.800 0.050 0.000 2.170 202 Q HA -0.101 4.239 4.340 0.001 0.000 0.203 202 Q C 0.542 176.605 176.000 0.104 0.000 0.976 202 Q CA 0.960 56.818 55.803 0.093 0.000 0.858 202 Q CB 0.046 28.830 28.738 0.077 0.000 0.907 202 Q HN 0.406 nan 8.270 nan 0.000 0.433 203 D N 0.300 120.741 120.400 0.069 0.000 2.347 203 D HA -0.018 4.622 4.640 0.001 0.000 0.213 203 D C -0.034 176.293 176.300 0.045 0.000 0.985 203 D CA 0.578 54.608 54.000 0.051 0.000 0.879 203 D CB 0.159 40.972 40.800 0.023 0.000 0.919 203 D HN 0.094 nan 8.370 nan 0.000 0.526 204 K N 1.429 121.867 120.400 0.064 0.000 2.278 204 K HA 0.117 4.438 4.320 0.001 0.000 0.237 204 K C 0.975 177.602 176.600 0.045 0.000 1.229 204 K CA 0.001 56.319 56.287 0.051 0.000 1.155 204 K CB 0.349 32.906 32.500 0.094 0.000 1.590 204 K HN -0.049 nan 8.250 nan 0.000 0.290 205 K N 0.781 121.213 120.400 0.054 0.000 2.432 205 K HA -0.078 4.242 4.320 0.001 0.000 0.196 205 K C 0.927 177.535 176.600 0.013 0.000 1.038 205 K CA 0.734 57.053 56.287 0.054 0.000 0.986 205 K CB 0.092 32.669 32.500 0.127 0.000 0.782 205 K HN 0.392 nan 8.250 nan 0.000 0.485 206 N N -0.098 118.606 118.700 0.006 0.000 2.235 206 N HA 0.026 4.766 4.740 0.001 0.000 0.209 206 N C -0.198 175.264 175.510 -0.080 0.000 1.122 206 N CA 0.101 53.143 53.050 -0.013 0.000 0.845 206 N CB 0.347 38.848 38.487 0.023 0.000 1.004 206 N HN -0.079 nan 8.380 nan 0.000 0.499 207 M N 0.801 120.292 119.600 -0.182 0.000 2.528 207 M HA 0.448 4.929 4.480 0.001 0.000 0.321 207 M C -0.751 175.215 176.300 -0.557 0.000 1.153 207 M CA -0.626 54.456 55.300 -0.363 0.000 0.951 207 M CB 2.235 34.541 32.600 -0.490 0.000 1.705 207 M HN -0.075 nan 8.290 nan 0.000 0.451 208 L N 2.720 123.663 121.223 -0.467 0.000 2.313 208 L HA 0.544 4.885 4.340 0.001 0.000 0.283 208 L C -1.128 175.498 176.870 -0.408 0.000 1.013 208 L CA -0.485 54.122 54.840 -0.389 0.000 0.816 208 L CB 1.131 43.093 42.059 -0.161 0.000 1.236 208 L HN 0.454 nan 8.230 nan 0.000 0.419 209 F N 0.804 120.753 119.950 -0.001 0.000 2.408 209 F HA 0.258 4.786 4.527 0.001 0.000 0.344 209 F C 1.035 176.832 175.800 -0.004 0.000 1.112 209 F CA -0.489 57.507 58.000 -0.007 0.000 1.096 209 F CB 1.609 40.596 39.000 -0.022 0.000 1.129 209 F HN 0.350 nan 8.300 nan 0.000 0.486 210 S N 1.911 117.720 115.700 0.181 0.000 2.575 210 S HA 0.336 4.807 4.470 0.001 0.000 0.295 210 S C 1.076 175.741 174.600 0.109 0.000 1.267 210 S CA 1.058 59.327 58.200 0.114 0.000 1.074 210 S CB -0.340 62.917 63.200 0.094 0.000 0.829 210 S HN 1.215 nan 8.310 nan 0.000 0.497 211 G N 3.020 111.886 108.800 0.110 0.000 2.194 211 G HA2 -0.243 3.718 3.960 0.001 0.000 0.236 211 G HA3 -0.243 3.718 3.960 0.001 0.000 0.236 211 G C 0.267 175.239 174.900 0.120 0.000 0.987 211 G CA 0.382 45.566 45.100 0.139 0.000 0.635 211 G HN 1.300 nan 8.290 nan 0.000 0.520 212 T N -0.784 113.828 114.554 0.096 0.000 2.824 212 T HA 0.645 4.996 4.350 0.001 0.000 0.277 212 T C -0.087 174.665 174.700 0.087 0.000 0.975 212 T CA -0.395 61.758 62.100 0.088 0.000 0.966 212 T CB 1.764 70.701 68.868 0.114 0.000 1.054 212 T HN 0.185 nan 8.240 nan 0.000 0.533 213 N N 0.701 119.446 118.700 0.074 0.000 2.314 213 N HA 0.374 5.115 4.740 0.001 0.000 0.304 213 N C -0.656 174.879 175.510 0.043 0.000 1.073 213 N CA -0.714 52.372 53.050 0.059 0.000 0.822 213 N CB 1.477 40.001 38.487 0.060 0.000 1.280 213 N HN 0.531 nan 8.380 nan 0.000 0.489 214 I N 1.627 122.216 120.570 0.032 0.000 2.452 214 I HA 0.083 4.254 4.170 0.001 0.000 0.287 214 I C 1.454 177.584 176.117 0.023 0.000 1.079 214 I CA -0.009 61.304 61.300 0.022 0.000 1.387 214 I CB 0.263 38.272 38.000 0.016 0.000 1.404 214 I HN 0.595 nan 8.210 nan 0.000 0.522 215 A N 5.661 128.494 122.820 0.022 0.000 1.943 215 A HA 0.582 4.903 4.320 0.001 0.000 0.213 215 A C 0.979 178.574 177.584 0.019 0.000 1.181 215 A CA 0.869 52.920 52.037 0.022 0.000 0.653 215 A CB 0.198 19.212 19.000 0.025 0.000 0.833 215 A HN 0.792 nan 8.150 nan 0.000 0.451 216 A N -2.383 120.446 122.820 0.016 0.000 2.566 216 A HA 0.654 4.974 4.320 0.001 0.000 0.297 216 A C 0.271 177.862 177.584 0.011 0.000 1.059 216 A CA 0.144 52.190 52.037 0.015 0.000 0.691 216 A CB 0.247 19.258 19.000 0.019 0.000 1.282 216 A HN 2.159 nan 8.150 nan 0.000 0.401 217 G N 0.302 109.109 108.800 0.012 0.000 2.582 217 G HA2 0.339 4.300 3.960 0.001 0.000 0.222 217 G HA3 0.339 4.300 3.960 0.001 0.000 0.222 217 G C -0.547 174.360 174.900 0.011 0.000 1.311 217 G CA -0.029 45.077 45.100 0.010 0.000 0.915 217 G HN 1.515 nan 8.290 nan 0.000 0.528 218 K N -0.656 119.750 120.400 0.011 0.000 2.565 218 K HA 0.717 5.038 4.320 0.001 0.000 0.251 218 K C -0.591 176.017 176.600 0.014 0.000 0.956 218 K CA -0.038 56.258 56.287 0.016 0.000 0.809 218 K CB 1.463 33.976 32.500 0.022 0.000 1.267 218 K HN 1.964 nan 8.250 nan 0.000 0.438 219 A N 3.576 126.405 122.820 0.015 0.000 2.475 219 A HA 0.690 5.010 4.320 0.001 0.000 0.301 219 A C -1.996 175.601 177.584 0.023 0.000 1.059 219 A CA -0.746 51.297 52.037 0.010 0.000 0.710 219 A CB 1.505 20.501 19.000 -0.005 0.000 1.288 219 A HN 0.584 nan 8.150 nan 0.000 0.408 220 L N 1.302 122.536 121.223 0.017 0.000 2.322 220 L HA 0.865 5.206 4.340 0.001 0.000 0.279 220 L C 0.449 177.326 176.870 0.011 0.000 1.036 220 L CA 0.585 55.441 54.840 0.026 0.000 0.807 220 L CB 1.782 43.842 42.059 0.002 0.000 1.226 220 L HN 1.050 nan 8.230 nan 0.000 0.433 221 G N 3.914 112.723 108.800 0.016 0.000 2.727 221 G HA2 0.518 4.479 3.960 0.001 0.000 0.289 221 G HA3 0.518 4.479 3.960 0.001 0.000 0.289 221 G C -1.974 172.929 174.900 0.004 0.000 1.418 221 G CA -0.568 44.533 45.100 0.002 0.000 0.818 221 G HN 0.713 nan 8.290 nan 0.000 0.486 222 I N 0.477 121.046 120.570 -0.002 0.000 2.474 222 I HA 0.552 4.722 4.170 0.001 0.000 0.294 222 I C -0.485 175.605 176.117 -0.046 0.000 1.005 222 I CA -1.006 60.284 61.300 -0.016 0.000 1.113 222 I CB 1.948 39.966 38.000 0.031 0.000 1.289 222 I HN 0.241 nan 8.210 nan 0.000 0.436 223 V N 8.330 128.174 119.914 -0.118 0.000 2.470 223 V HA 0.188 4.309 4.120 0.001 0.000 0.276 223 V C 1.045 177.043 176.094 -0.159 0.000 1.040 223 V CA 0.629 62.849 62.300 -0.133 0.000 1.008 223 V CB 0.654 32.382 31.823 -0.159 0.000 0.990 223 V HN 0.980 nan 8.190 nan 0.000 0.477 224 A N 4.682 127.482 122.820 -0.034 0.000 1.901 224 A HA 0.277 4.598 4.320 0.001 0.000 0.210 224 A C 1.079 178.688 177.584 0.043 0.000 1.208 224 A CA 1.120 53.204 52.037 0.078 0.000 0.644 224 A CB 0.125 19.172 19.000 0.078 0.000 0.863 224 A HN 0.824 nan 8.150 nan 0.000 0.454 225 T N -2.798 111.755 114.554 -0.002 0.000 2.896 225 T HA 0.609 4.960 4.350 0.001 0.000 0.297 225 T C -0.475 174.214 174.700 -0.017 0.000 1.108 225 T CA 0.071 62.164 62.100 -0.012 0.000 1.004 225 T CB 1.659 70.551 68.868 0.040 0.000 1.159 225 T HN 0.669 nan 8.240 nan 0.000 0.499 226 T N -2.142 112.407 114.554 -0.009 0.000 2.804 226 T HA 0.835 5.185 4.350 0.001 0.000 0.290 226 T C 0.936 175.667 174.700 0.052 0.000 1.099 226 T CA -0.004 62.108 62.100 0.020 0.000 1.011 226 T CB 1.087 69.962 68.868 0.012 0.000 1.291 226 T HN 2.133 nan 8.240 nan 0.000 0.523 227 G N 0.297 109.134 108.800 0.063 0.000 2.583 227 G HA2 -0.312 3.648 3.960 0.001 0.000 0.292 227 G HA3 -0.312 3.648 3.960 0.001 0.000 0.292 227 G C 1.107 176.045 174.900 0.063 0.000 1.203 227 G CA 1.653 46.796 45.100 0.072 0.000 0.987 227 G HN 2.105 nan 8.290 nan 0.000 0.554 228 V N -1.955 117.996 119.914 0.063 0.000 3.217 228 V HA 0.265 4.386 4.120 0.001 0.000 0.264 228 V C 2.335 178.458 176.094 0.049 0.000 1.135 228 V CA 2.665 64.996 62.300 0.051 0.000 1.142 228 V CB 0.159 32.010 31.823 0.046 0.000 0.754 228 V HN 0.778 nan 8.190 nan 0.000 0.484 229 S N 0.869 116.604 115.700 0.059 0.000 2.496 229 S HA 0.028 4.499 4.470 0.001 0.000 0.224 229 S C 1.272 175.906 174.600 0.057 0.000 0.996 229 S CA 0.833 59.069 58.200 0.060 0.000 0.927 229 S CB -0.364 62.880 63.200 0.073 0.000 0.774 229 S HN 0.954 nan 8.310 nan 0.000 0.524 230 T N 0.602 115.191 114.554 0.058 0.000 2.667 230 T HA 0.188 4.539 4.350 0.001 0.000 0.305 230 T C 1.044 175.775 174.700 0.053 0.000 1.022 230 T CA -0.405 61.738 62.100 0.072 0.000 0.995 230 T CB 0.464 69.377 68.868 0.076 0.000 1.026 230 T HN -0.078 nan 8.240 nan 0.000 0.527 231 E N -0.122 120.113 120.200 0.059 0.000 2.077 231 E HA -0.060 4.290 4.350 0.001 0.000 0.193 231 E C 1.950 178.517 176.600 -0.054 0.000 0.989 231 E CA 0.865 57.246 56.400 -0.032 0.000 0.800 231 E CB -0.397 29.208 29.700 -0.158 0.000 0.746 231 E HN 0.733 nan 8.360 nan 0.000 0.452 232 I N 0.526 121.078 120.570 -0.031 0.000 2.315 232 I HA -0.136 4.035 4.170 0.001 0.000 0.248 232 I C 2.119 178.233 176.117 -0.004 0.000 1.117 232 I CA 1.342 62.622 61.300 -0.033 0.000 1.404 232 I CB -0.143 37.846 38.000 -0.017 0.000 1.071 232 I HN 0.072 nan 8.210 nan 0.000 0.419 233 G N 0.260 109.069 108.800 0.016 0.000 2.408 233 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 233 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 233 G C 1.695 176.602 174.900 0.012 0.000 1.150 233 G CA 0.618 45.732 45.100 0.023 0.000 0.776 233 G HN 0.293 nan 8.290 nan 0.000 0.542 234 K N -0.126 120.276 120.400 0.003 0.000 2.097 234 K HA 0.089 4.409 4.320 0.001 0.000 0.206 234 K C 2.359 178.946 176.600 -0.021 0.000 1.049 234 K CA 0.722 57.004 56.287 -0.007 0.000 0.933 234 K CB -0.214 32.278 32.500 -0.013 0.000 0.717 234 K HN 0.312 nan 8.250 nan 0.000 0.442 235 I N 0.759 121.310 120.570 -0.032 0.000 2.226 235 I HA -0.301 3.869 4.170 0.001 0.000 0.245 235 I C 2.675 178.779 176.117 -0.021 0.000 1.100 235 I CA 0.988 62.265 61.300 -0.038 0.000 1.374 235 I CB -0.177 37.791 38.000 -0.053 0.000 1.057 235 I HN 0.182 nan 8.210 nan 0.000 0.413 236 R N 1.088 121.583 120.500 -0.008 0.000 2.073 236 R HA -0.203 4.138 4.340 0.001 0.000 0.234 236 R C 1.718 178.018 176.300 -0.001 0.000 1.134 236 R CA 2.072 58.173 56.100 0.002 0.000 0.952 236 R CB -0.556 29.752 30.300 0.014 0.000 0.850 236 R HN 0.297 nan 8.270 nan 0.000 0.433 237 D N 0.757 121.157 120.400 0.000 0.000 2.149 237 D HA -0.161 4.480 4.640 0.001 0.000 0.198 237 D C 2.080 178.375 176.300 -0.009 0.000 0.990 237 D CA 1.162 55.162 54.000 -0.000 0.000 0.839 237 D CB -0.138 40.664 40.800 0.004 0.000 0.948 237 D HN 0.409 nan 8.370 nan 0.000 0.460 238 Q N -0.453 119.337 119.800 -0.017 0.000 2.084 238 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 238 Q C 2.313 178.299 176.000 -0.023 0.000 0.978 238 Q CA 1.023 56.811 55.803 -0.025 0.000 0.844 238 Q CB -0.052 28.665 28.738 -0.035 0.000 0.898 238 Q HN 0.325 nan 8.270 nan 0.000 0.426 239 M N -0.200 119.389 119.600 -0.019 0.000 2.132 239 M HA -0.126 4.355 4.480 0.001 0.000 0.263 239 M C 2.321 178.613 176.300 -0.013 0.000 1.065 239 M CA 1.425 56.715 55.300 -0.017 0.000 1.122 239 M CB -0.238 32.355 32.600 -0.012 0.000 1.365 239 M HN 0.218 nan 8.290 nan 0.000 0.411 240 A N 0.177 122.992 122.820 -0.009 0.000 2.019 240 A HA 0.020 4.340 4.320 0.001 0.000 0.219 240 A C 2.222 179.801 177.584 -0.009 0.000 1.164 240 A CA 1.778 53.811 52.037 -0.006 0.000 0.644 240 A CB -0.730 18.270 19.000 -0.001 0.000 0.805 240 A HN 0.506 nan 8.150 nan 0.000 0.449 241 A N -1.076 121.737 122.820 -0.012 0.000 2.218 241 A HA 0.265 4.585 4.320 0.001 0.000 0.209 241 A C 0.993 178.566 177.584 -0.019 0.000 1.168 241 A CA 0.709 52.738 52.037 -0.014 0.000 0.804 241 A CB -0.439 18.551 19.000 -0.016 0.000 0.834 241 A HN 0.275 nan 8.150 nan 0.000 0.482 242 T N 2.217 116.759 114.554 -0.020 0.000 2.727 242 T HA 0.295 4.646 4.350 0.001 0.000 0.295 242 T C -0.350 174.338 174.700 -0.019 0.000 0.915 242 T CA 0.031 62.117 62.100 -0.023 0.000 1.066 242 T CB 0.444 69.297 68.868 -0.026 0.000 0.891 242 T HN 0.448 nan 8.240 nan 0.000 0.516 243 E N 2.967 123.155 120.200 -0.019 0.000 2.227 243 E HA 0.209 4.560 4.350 0.001 0.000 0.282 243 E C -0.051 176.539 176.600 -0.017 0.000 1.015 243 E CA -0.528 55.862 56.400 -0.016 0.000 0.823 243 E CB 1.089 30.780 29.700 -0.014 0.000 1.081 243 E HN 0.538 nan 8.360 nan 0.000 0.396 244 Q N 2.340 122.130 119.800 -0.016 0.000 2.271 244 Q HA 0.180 4.521 4.340 0.001 0.000 0.258 244 Q C -0.622 175.370 176.000 -0.013 0.000 0.936 244 Q CA -0.625 55.169 55.803 -0.015 0.000 0.909 244 Q CB 1.562 30.290 28.738 -0.016 0.000 1.253 244 Q HN 0.474 nan 8.270 nan 0.000 0.440 245 D N 2.229 122.623 120.400 -0.011 0.000 2.382 245 D HA 0.029 4.670 4.640 0.001 0.000 0.240 245 D C -0.143 176.152 176.300 -0.008 0.000 1.146 245 D CA 0.380 54.375 54.000 -0.009 0.000 0.897 245 D CB 0.955 41.751 40.800 -0.008 0.000 1.197 245 D HN 0.207 nan 8.370 nan 0.000 0.432 246 K N 0.411 120.809 120.400 -0.004 0.000 2.319 246 K HA 0.068 4.388 4.320 0.001 0.000 0.265 246 K C 0.660 177.258 176.600 -0.004 0.000 1.000 246 K CA -0.137 56.148 56.287 -0.002 0.000 0.943 246 K CB 0.451 32.954 32.500 0.004 0.000 0.950 246 K HN 0.449 nan 8.250 nan 0.000 0.485 247 T N -0.475 114.076 114.554 -0.004 0.000 2.856 247 T HA 0.072 4.423 4.350 0.001 0.000 0.306 247 T C -1.852 172.842 174.700 -0.010 0.000 1.062 247 T CA -1.519 60.574 62.100 -0.012 0.000 1.083 247 T CB 0.727 69.589 68.868 -0.011 0.000 0.984 247 T HN 0.263 nan 8.240 nan 0.000 0.542 248 P HA -0.061 nan 4.420 nan 0.000 0.216 248 P C 1.640 178.944 177.300 0.007 0.000 1.150 248 P CA 0.363 63.448 63.100 -0.024 0.000 0.837 248 P CB -0.050 31.607 31.700 -0.072 0.000 0.786 249 L N -0.293 120.942 121.223 0.019 0.000 2.027 249 L HA -0.168 4.173 4.340 0.001 0.000 0.206 249 L C 2.296 179.198 176.870 0.053 0.000 1.074 249 L CA 1.901 56.781 54.840 0.067 0.000 0.745 249 L CB -1.419 40.706 42.059 0.111 0.000 0.898 249 L HN -0.076 nan 8.230 nan 0.000 0.433 250 Q N -0.971 118.852 119.800 0.039 0.000 2.096 250 Q HA -0.279 4.061 4.340 0.001 0.000 0.204 250 Q C 2.226 178.251 176.000 0.043 0.000 0.982 250 Q CA 2.146 57.972 55.803 0.038 0.000 0.850 250 Q CB -0.239 28.514 28.738 0.025 0.000 0.901 250 Q HN 0.653 nan 8.270 nan 0.000 0.422 251 Q N 0.432 120.253 119.800 0.036 0.000 2.124 251 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 251 Q C 1.887 177.921 176.000 0.058 0.000 0.977 251 Q CA 1.163 56.989 55.803 0.039 0.000 0.850 251 Q CB 0.029 28.782 28.738 0.026 0.000 0.901 251 Q HN 0.241 nan 8.270 nan 0.000 0.429 252 K N -0.014 120.425 120.400 0.064 0.000 2.062 252 K HA -0.109 4.212 4.320 0.001 0.000 0.205 252 K C 1.892 178.565 176.600 0.122 0.000 1.051 252 K CA 0.648 56.986 56.287 0.086 0.000 0.941 252 K CB 0.030 32.575 32.500 0.075 0.000 0.719 252 K HN 0.010 nan 8.250 nan 0.000 0.440 253 L N 1.732 123.016 121.223 0.102 0.000 2.042 253 L HA -0.218 4.122 4.340 0.001 0.000 0.210 253 L C 1.582 178.565 176.870 0.187 0.000 1.076 253 L CA 1.828 56.752 54.840 0.140 0.000 0.749 253 L CB -0.603 41.510 42.059 0.089 0.000 0.893 253 L HN 0.184 nan 8.230 nan 0.000 0.432 254 D N -1.018 119.452 120.400 0.118 0.000 2.144 254 D HA -0.201 4.440 4.640 0.001 0.000 0.200 254 D C 2.083 178.437 176.300 0.090 0.000 0.978 254 D CA 1.022 55.075 54.000 0.089 0.000 0.833 254 D CB 0.009 40.842 40.800 0.055 0.000 0.961 254 D HN 0.472 nan 8.370 nan 0.000 0.470 255 E N -0.197 120.066 120.200 0.104 0.000 2.051 255 E HA -0.198 4.152 4.350 0.001 0.000 0.192 255 E C 2.019 178.694 176.600 0.126 0.000 0.991 255 E CA 0.579 57.038 56.400 0.097 0.000 0.799 255 E CB -0.213 29.546 29.700 0.097 0.000 0.748 255 E HN 0.186 nan 8.360 nan 0.000 0.449 256 F N 1.046 121.014 119.950 0.030 0.000 2.095 256 F HA -0.098 4.430 4.527 0.001 0.000 0.298 256 F C 2.016 177.830 175.800 0.024 0.000 1.104 256 F CA 2.162 60.180 58.000 0.031 0.000 1.232 256 F CB -0.815 38.203 39.000 0.030 0.000 0.987 256 F HN 0.075 nan 8.300 nan 0.000 0.475 257 G N 0.001 108.784 108.800 -0.029 0.000 2.418 257 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 257 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 257 G C 1.555 176.371 174.900 -0.140 0.000 1.158 257 G CA 0.873 45.895 45.100 -0.129 0.000 0.771 257 G HN 0.423 nan 8.290 nan 0.000 0.545 258 E N 0.220 120.380 120.200 -0.067 0.000 2.031 258 E HA -0.145 4.206 4.350 0.001 0.000 0.193 258 E C 2.696 179.246 176.600 -0.083 0.000 0.994 258 E CA 0.953 57.322 56.400 -0.053 0.000 0.800 258 E CB -0.229 29.462 29.700 -0.016 0.000 0.752 258 E HN 0.329 nan 8.360 nan 0.000 0.447 259 Q N 0.463 120.203 119.800 -0.099 0.000 2.124 259 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 259 Q C 2.321 178.216 176.000 -0.175 0.000 0.977 259 Q CA 0.641 56.383 55.803 -0.102 0.000 0.850 259 Q CB -0.455 28.252 28.738 -0.051 0.000 0.901 259 Q HN 0.196 nan 8.270 nan 0.000 0.429 260 L N 0.964 121.983 121.223 -0.339 0.000 2.017 260 L HA -0.163 4.178 4.340 0.001 0.000 0.208 260 L C 2.352 179.105 176.870 -0.194 0.000 1.073 260 L CA 2.327 56.944 54.840 -0.372 0.000 0.745 260 L CB -0.982 40.686 42.059 -0.652 0.000 0.894 260 L HN 0.266 nan 8.230 nan 0.000 0.432 261 S N -1.313 114.296 115.700 -0.152 0.000 2.383 261 S HA -0.240 4.231 4.470 0.001 0.000 0.227 261 S C 2.123 176.687 174.600 -0.059 0.000 1.026 261 S CA 1.186 59.335 58.200 -0.084 0.000 0.981 261 S CB -0.484 62.679 63.200 -0.062 0.000 0.818 261 S HN 0.377 nan 8.310 nan 0.000 0.472 262 K N 1.305 121.668 120.400 -0.062 0.000 2.057 262 K HA 0.067 4.387 4.320 0.001 0.000 0.207 262 K C 1.889 178.468 176.600 -0.034 0.000 1.049 262 K CA 1.543 57.807 56.287 -0.039 0.000 0.931 262 K CB -0.810 31.670 32.500 -0.034 0.000 0.714 262 K HN 0.312 nan 8.250 nan 0.000 0.440 263 V N 0.630 120.513 119.914 -0.052 0.000 2.453 263 V HA -0.164 3.957 4.120 0.001 0.000 0.247 263 V C 2.149 178.220 176.094 -0.038 0.000 1.048 263 V CA 1.546 63.819 62.300 -0.045 0.000 1.049 263 V CB -0.329 31.461 31.823 -0.056 0.000 0.672 263 V HN 0.273 nan 8.190 nan 0.000 0.457 264 I N 1.057 121.601 120.570 -0.044 0.000 2.163 264 I HA -0.290 3.881 4.170 0.001 0.000 0.243 264 I C 2.740 178.858 176.117 0.001 0.000 1.085 264 I CA 2.062 63.347 61.300 -0.025 0.000 1.347 264 I CB -0.435 37.545 38.000 -0.033 0.000 1.044 264 I HN 0.500 nan 8.210 nan 0.000 0.408 265 S N 0.788 116.488 115.700 0.001 0.000 2.368 265 S HA -0.131 4.339 4.470 0.001 0.000 0.224 265 S C 2.050 176.672 174.600 0.037 0.000 1.029 265 S CA 0.749 58.962 58.200 0.020 0.000 0.988 265 S CB -0.584 62.621 63.200 0.009 0.000 0.838 265 S HN 0.255 nan 8.310 nan 0.000 0.462 266 L N 1.328 122.565 121.223 0.023 0.000 2.131 266 L HA 0.109 4.450 4.340 0.001 0.000 0.210 266 L C 2.449 179.354 176.870 0.059 0.000 1.092 266 L CA 1.370 56.230 54.840 0.033 0.000 0.759 266 L CB -1.259 40.806 42.059 0.011 0.000 0.903 266 L HN 0.404 nan 8.230 nan 0.000 0.435 267 I N -1.262 119.335 120.570 0.044 0.000 2.252 267 I HA -0.326 3.845 4.170 0.001 0.000 0.245 267 I C 2.667 178.901 176.117 0.196 0.000 1.102 267 I CA 0.817 62.171 61.300 0.091 0.000 1.385 267 I CB -0.327 37.702 38.000 0.048 0.000 1.064 267 I HN 0.262 nan 8.210 nan 0.000 0.414 268 C N 0.025 119.413 119.300 0.146 0.000 2.413 268 C HA -0.131 4.330 4.460 0.001 0.000 0.276 268 C C 2.895 178.067 174.990 0.304 0.000 1.248 268 C CA 0.622 59.757 59.018 0.195 0.000 1.742 268 C CB -0.733 27.090 27.740 0.138 0.000 2.017 268 C HN 0.356 nan 8.230 nan 0.000 0.481 269 V N 1.154 121.197 119.914 0.215 0.000 2.358 269 V HA -0.178 3.942 4.120 0.001 0.000 0.246 269 V C 2.671 178.949 176.094 0.308 0.000 1.047 269 V CA 2.118 64.553 62.300 0.224 0.000 1.035 269 V CB -1.189 30.705 31.823 0.118 0.000 0.658 269 V HN 0.601 nan 8.190 nan 0.000 0.452 270 A N -0.135 122.849 122.820 0.273 0.000 1.877 270 A HA -0.159 4.161 4.320 0.001 0.000 0.216 270 A C 2.376 180.169 177.584 0.349 0.000 1.186 270 A CA 2.016 54.239 52.037 0.310 0.000 0.620 270 A CB -0.731 18.470 19.000 0.333 0.000 0.822 270 A HN 0.325 nan 8.150 nan 0.000 0.443 271 V N -2.280 117.863 119.914 0.381 0.000 2.469 271 V HA -0.262 3.858 4.120 0.001 0.000 0.251 271 V C 2.131 178.422 176.094 0.329 0.000 1.064 271 V CA 1.927 64.407 62.300 0.299 0.000 1.066 271 V CB -0.834 31.156 31.823 0.278 0.000 0.667 271 V HN 0.837 nan 8.190 nan 0.000 0.461 272 W N 0.034 121.453 121.300 0.199 0.000 2.409 272 W HA -0.048 4.612 4.660 0.001 0.000 0.299 272 W C 2.159 178.713 176.519 0.058 0.000 1.203 272 W CA 1.187 58.577 57.345 0.075 0.000 1.298 272 W CB -0.115 29.348 29.460 0.005 0.000 1.127 272 W HN 0.117 nan 8.180 nan 0.000 0.528 273 L N 0.185 121.563 121.223 0.258 0.000 2.141 273 L HA -0.190 4.151 4.340 0.001 0.000 0.209 273 L C 2.166 179.029 176.870 -0.013 0.000 1.094 273 L CA 1.143 56.032 54.840 0.083 0.000 0.763 273 L CB -0.587 41.581 42.059 0.181 0.000 0.908 273 L HN -0.016 nan 8.230 nan 0.000 0.437 274 I N -0.635 119.965 120.570 0.049 0.000 2.830 274 I HA -0.207 3.964 4.170 0.001 0.000 0.263 274 I C 1.172 177.282 176.117 -0.011 0.000 1.230 274 I CA 1.101 62.417 61.300 0.027 0.000 1.480 274 I CB -0.160 37.867 38.000 0.046 0.000 1.095 274 I HN 0.288 nan 8.210 nan 0.000 0.455 275 N N 0.884 119.556 118.700 -0.047 0.000 2.328 275 N HA 0.188 4.929 4.740 0.001 0.000 0.247 275 N C 1.419 176.870 175.510 -0.099 0.000 1.165 275 N CA -0.068 52.983 53.050 0.001 0.000 0.873 275 N CB 0.513 39.050 38.487 0.083 0.000 1.125 275 N HN 0.370 nan 8.380 nan 0.000 0.513 276 I N -3.420 117.018 120.570 -0.219 0.000 3.291 276 I HA 0.178 4.349 4.170 0.001 0.000 0.279 276 I C 1.878 177.952 176.117 -0.072 0.000 1.294 276 I CA 0.402 61.539 61.300 -0.272 0.000 1.428 276 I CB -0.136 37.607 38.000 -0.428 0.000 1.070 276 I HN -0.101 nan 8.210 nan 0.000 0.478 277 G N 0.384 109.143 108.800 -0.068 0.000 2.598 277 G HA2 -0.142 3.818 3.960 0.001 0.000 0.215 277 G HA3 -0.142 3.818 3.960 0.001 0.000 0.215 277 G C 1.400 176.247 174.900 -0.090 0.000 1.131 277 G CA 0.249 45.301 45.100 -0.080 0.000 0.785 277 G HN 0.505 nan 8.290 nan 0.000 0.539 278 H N -0.643 118.407 119.070 -0.033 0.000 2.521 278 H HA 0.031 4.587 4.556 0.001 0.000 0.286 278 H C 1.844 177.124 175.328 -0.081 0.000 1.034 278 H CA 0.543 56.547 56.048 -0.074 0.000 1.278 278 H CB 0.019 29.684 29.762 -0.161 0.000 1.386 278 H HN 0.390 nan 8.280 nan 0.000 0.567 279 F N 1.133 121.038 119.950 -0.075 0.000 2.365 279 F HA -0.093 4.435 4.527 0.001 0.000 0.300 279 F C 1.940 177.717 175.800 -0.038 0.000 1.090 279 F CA 0.668 58.624 58.000 -0.073 0.000 1.408 279 F CB 0.042 38.981 39.000 -0.101 0.000 1.060 279 F HN 0.097 nan 8.300 nan 0.000 0.534 280 N N -0.462 118.303 118.700 0.110 0.000 2.412 280 N HA -0.047 4.694 4.740 0.001 0.000 0.184 280 N C -0.193 175.330 175.510 0.021 0.000 1.101 280 N CA 0.400 53.479 53.050 0.049 0.000 0.881 280 N CB -0.229 38.266 38.487 0.014 0.000 0.969 280 N HN 0.145 nan 8.380 nan 0.000 0.459 281 D N 2.298 122.707 120.400 0.015 0.000 2.382 281 D HA 0.127 4.768 4.640 0.001 0.000 0.245 281 D C -1.891 174.445 176.300 0.059 0.000 1.120 281 D CA -0.948 53.068 54.000 0.027 0.000 0.890 281 D CB 0.807 41.637 40.800 0.049 0.000 1.201 281 D HN 0.123 nan 8.370 nan 0.000 0.433 282 P HA -0.054 nan 4.420 nan 0.000 0.268 282 P C 0.941 178.289 177.300 0.080 0.000 1.205 282 P CA -0.269 62.872 63.100 0.069 0.000 0.771 282 P CB 1.062 32.802 31.700 0.067 0.000 0.858 283 V N 3.442 123.374 119.914 0.030 0.000 2.343 283 V HA -0.171 3.949 4.120 0.001 0.000 0.247 283 V C 0.701 176.641 176.094 -0.256 0.000 1.051 283 V CA 1.539 63.800 62.300 -0.066 0.000 1.036 283 V CB -1.150 30.565 31.823 -0.180 0.000 0.654 283 V HN 0.567 nan 8.190 nan 0.000 0.451 284 H N 0.362 119.395 119.070 -0.062 0.000 2.722 284 H HA 0.534 5.091 4.556 0.001 0.000 0.328 284 H C 0.569 175.861 175.328 -0.061 0.000 1.067 284 H CA 0.903 56.895 56.048 -0.093 0.000 1.447 284 H CB 0.480 30.200 29.762 -0.070 0.000 1.469 284 H HN 0.714 nan 8.280 nan 0.000 0.544 285 G N 1.141 109.957 108.800 0.026 0.000 2.746 285 G HA2 0.335 4.296 3.960 0.001 0.000 0.685 285 G HA3 0.335 4.296 3.960 0.001 0.000 0.685 285 G C 0.086 174.994 174.900 0.013 0.000 1.350 285 G CA -0.396 44.711 45.100 0.011 0.000 0.837 285 G HN 1.354 nan 8.290 nan 0.000 0.564 286 G N -1.264 107.555 108.800 0.032 0.000 2.785 286 G HA2 0.336 4.297 3.960 0.001 0.000 0.685 286 G HA3 0.336 4.297 3.960 0.001 0.000 0.685 286 G C -0.001 174.951 174.900 0.087 0.000 1.480 286 G CA 0.530 45.679 45.100 0.081 0.000 0.915 286 G HN 2.072 nan 8.290 nan 0.000 0.576 287 S N 0.977 116.749 115.700 0.120 0.000 2.474 287 S HA 0.405 4.876 4.470 0.001 0.000 0.320 287 S C 0.768 175.510 174.600 0.237 0.000 1.067 287 S CA -0.300 57.976 58.200 0.125 0.000 1.127 287 S CB 0.695 63.939 63.200 0.073 0.000 0.971 287 S HN 0.546 nan 8.310 nan 0.000 0.472 288 W N 2.436 123.711 121.300 -0.041 0.000 2.379 288 W HA -0.018 4.642 4.660 0.001 0.000 0.307 288 W C 1.938 178.436 176.519 -0.035 0.000 1.200 288 W CA -0.163 57.147 57.345 -0.058 0.000 1.297 288 W CB -0.725 28.695 29.460 -0.067 0.000 1.140 288 W HN 0.653 nan 8.180 nan 0.000 0.507 289 I N 0.779 121.487 120.570 0.229 0.000 2.208 289 I HA -0.279 3.892 4.170 0.001 0.000 0.245 289 I C 2.447 178.636 176.117 0.121 0.000 1.097 289 I CA 1.765 63.151 61.300 0.143 0.000 1.363 289 I CB -0.360 37.699 38.000 0.099 0.000 1.051 289 I HN -0.106 nan 8.210 nan 0.000 0.413 290 R N -0.334 120.229 120.500 0.106 0.000 2.119 290 R HA 0.043 4.384 4.340 0.001 0.000 0.222 290 R C 2.239 178.598 176.300 0.098 0.000 1.088 290 R CA 0.997 57.154 56.100 0.095 0.000 0.984 290 R CB -0.685 29.654 30.300 0.064 0.000 0.884 290 R HN 0.502 nan 8.270 nan 0.000 0.447 291 G N 0.546 109.380 108.800 0.058 0.000 2.448 291 G HA2 -0.163 3.798 3.960 0.001 0.000 0.218 291 G HA3 -0.163 3.798 3.960 0.001 0.000 0.218 291 G C 1.442 176.354 174.900 0.019 0.000 1.135 291 G CA 0.671 45.771 45.100 -0.001 0.000 0.784 291 G HN 0.357 nan 8.290 nan 0.000 0.543 292 A N 0.587 123.417 122.820 0.018 0.000 1.930 292 A HA 0.240 4.561 4.320 0.001 0.000 0.215 292 A C 2.303 179.949 177.584 0.104 0.000 1.176 292 A CA 0.637 52.664 52.037 -0.016 0.000 0.632 292 A CB -0.222 18.789 19.000 0.018 0.000 0.819 292 A HN 0.318 nan 8.150 nan 0.000 0.445 293 I N -1.685 119.000 120.570 0.191 0.000 2.226 293 I HA -0.283 3.887 4.170 0.001 0.000 0.245 293 I C 2.431 178.675 176.117 0.211 0.000 1.100 293 I CA 1.732 63.175 61.300 0.238 0.000 1.374 293 I CB -0.346 37.764 38.000 0.184 0.000 1.057 293 I HN 0.544 nan 8.210 nan 0.000 0.413 294 Y N 0.400 120.742 120.300 0.069 0.000 2.165 294 Y HA -0.372 4.179 4.550 0.001 0.000 0.286 294 Y C 2.512 178.439 175.900 0.046 0.000 1.155 294 Y CA 1.846 59.974 58.100 0.048 0.000 1.164 294 Y CB -0.531 37.944 38.460 0.025 0.000 0.978 294 Y HN 0.223 nan 8.280 nan 0.000 0.513 295 Y N -0.593 119.663 120.300 -0.074 0.000 2.163 295 Y HA -0.235 4.316 4.550 0.001 0.000 0.288 295 Y C 1.934 177.728 175.900 -0.177 0.000 1.136 295 Y CA 1.940 59.919 58.100 -0.202 0.000 1.147 295 Y CB -0.923 37.372 38.460 -0.274 0.000 0.987 295 Y HN 0.142 nan 8.280 nan 0.000 0.509 296 F N 0.307 120.257 119.950 0.001 0.000 2.186 296 F HA -0.145 4.382 4.527 0.001 0.000 0.299 296 F C 2.525 178.245 175.800 -0.132 0.000 1.090 296 F CA 1.278 59.233 58.000 -0.075 0.000 1.307 296 F CB -0.251 38.781 39.000 0.053 0.000 1.019 296 F HN -0.069 nan 8.300 nan 0.000 0.489 297 K N 0.874 121.308 120.400 0.055 0.000 2.063 297 K HA -0.209 4.112 4.320 0.001 0.000 0.208 297 K C 1.871 178.399 176.600 -0.119 0.000 1.048 297 K CA 1.855 58.127 56.287 -0.026 0.000 0.928 297 K CB -0.271 32.207 32.500 -0.036 0.000 0.713 297 K HN 0.386 nan 8.250 nan 0.000 0.442 298 I N -2.447 117.971 120.570 -0.253 0.000 2.876 298 I HA 0.069 4.239 4.170 0.001 0.000 0.264 298 I C 1.917 177.916 176.117 -0.196 0.000 1.204 298 I CA 1.038 62.185 61.300 -0.255 0.000 1.485 298 I CB -0.176 37.604 38.000 -0.367 0.000 1.103 298 I HN -0.080 nan 8.210 nan 0.000 0.446 299 A N 1.179 123.859 122.820 -0.233 0.000 1.930 299 A HA -0.043 4.278 4.320 0.001 0.000 0.217 299 A C 2.349 179.898 177.584 -0.058 0.000 1.175 299 A CA 2.036 53.973 52.037 -0.165 0.000 0.627 299 A CB -1.116 17.786 19.000 -0.163 0.000 0.815 299 A HN 0.333 nan 8.150 nan 0.000 0.443 300 V N -0.182 119.713 119.914 -0.030 0.000 2.307 300 V HA -0.213 3.908 4.120 0.001 0.000 0.245 300 V C 3.062 179.151 176.094 -0.007 0.000 1.045 300 V CA 1.893 64.191 62.300 -0.004 0.000 1.024 300 V CB -1.257 30.573 31.823 0.012 0.000 0.651 300 V HN 0.593 nan 8.190 nan 0.000 0.449 301 A N -0.243 122.564 122.820 -0.022 0.000 1.933 301 A HA -0.161 4.159 4.320 0.001 0.000 0.218 301 A C 2.259 179.838 177.584 -0.008 0.000 1.175 301 A CA 1.683 53.713 52.037 -0.011 0.000 0.628 301 A CB -0.549 18.437 19.000 -0.024 0.000 0.814 301 A HN 0.403 nan 8.150 nan 0.000 0.444 302 L N -0.327 120.882 121.223 -0.023 0.000 2.017 302 L HA -0.177 4.164 4.340 0.001 0.000 0.208 302 L C 2.779 179.646 176.870 -0.004 0.000 1.073 302 L CA 2.431 57.265 54.840 -0.010 0.000 0.745 302 L CB -1.344 40.702 42.059 -0.021 0.000 0.894 302 L HN 0.425 nan 8.230 nan 0.000 0.432 303 A N -0.862 121.954 122.820 -0.007 0.000 1.908 303 A HA -0.163 4.158 4.320 0.001 0.000 0.218 303 A C 2.279 179.869 177.584 0.009 0.000 1.181 303 A CA 1.987 54.024 52.037 -0.001 0.000 0.627 303 A CB -0.777 18.224 19.000 0.003 0.000 0.818 303 A HN 0.346 nan 8.150 nan 0.000 0.445 304 V N -0.465 119.458 119.914 0.015 0.000 2.453 304 V HA -0.136 3.985 4.120 0.001 0.000 0.247 304 V C 2.962 179.071 176.094 0.025 0.000 1.048 304 V CA 1.598 63.913 62.300 0.026 0.000 1.049 304 V CB -1.010 30.834 31.823 0.035 0.000 0.672 304 V HN 0.596 nan 8.190 nan 0.000 0.457 305 A N -0.077 122.754 122.820 0.018 0.000 2.015 305 A HA 0.001 4.322 4.320 0.001 0.000 0.219 305 A C 2.316 179.908 177.584 0.013 0.000 1.163 305 A CA 1.858 53.904 52.037 0.015 0.000 0.646 305 A CB -0.437 18.571 19.000 0.014 0.000 0.806 305 A HN 0.541 nan 8.150 nan 0.000 0.448 306 A N -0.602 122.226 122.820 0.014 0.000 1.943 306 A HA 0.301 4.622 4.320 0.001 0.000 0.213 306 A C 0.809 178.424 177.584 0.050 0.000 1.181 306 A CA 0.296 52.343 52.037 0.016 0.000 0.653 306 A CB -0.118 18.873 19.000 -0.015 0.000 0.833 306 A HN 0.329 nan 8.150 nan 0.000 0.451 307 I N 1.398 121.996 120.570 0.046 0.000 2.416 307 I HA 0.210 4.381 4.170 0.001 0.000 0.288 307 I C -2.527 173.635 176.117 0.075 0.000 1.051 307 I CA -2.983 58.365 61.300 0.079 0.000 1.375 307 I CB 0.265 38.297 38.000 0.053 0.000 1.407 307 I HN 0.043 nan 8.210 nan 0.000 0.516 308 P HA 0.212 nan 4.420 nan 0.000 0.260 308 P C 0.185 177.499 177.300 0.023 0.000 1.651 308 P CA -0.145 62.975 63.100 0.033 0.000 1.139 308 P CB 0.448 32.153 31.700 0.008 0.000 1.756 309 E N 2.018 122.225 120.200 0.013 0.000 2.150 309 E HA -0.083 4.267 4.350 0.001 0.000 0.193 309 E C 2.167 178.759 176.600 -0.013 0.000 0.985 309 E CA 1.531 57.936 56.400 0.009 0.000 0.814 309 E CB -0.477 29.231 29.700 0.014 0.000 0.752 309 E HN 0.499 nan 8.360 nan 0.000 0.466 310 G N -0.128 108.651 108.800 -0.035 0.000 3.042 310 G HA2 -0.050 3.911 3.960 0.001 0.000 0.212 310 G HA3 -0.050 3.911 3.960 0.001 0.000 0.212 310 G C 1.254 176.114 174.900 -0.067 0.000 1.166 310 G CA -0.189 44.875 45.100 -0.061 0.000 0.767 310 G HN 0.118 nan 8.290 nan 0.000 0.546 311 L N 1.580 122.779 121.223 -0.040 0.000 2.017 311 L HA 0.127 4.468 4.340 0.001 0.000 0.208 311 L C -0.127 176.734 176.870 -0.015 0.000 1.073 311 L CA 1.780 56.606 54.840 -0.024 0.000 0.745 311 L CB -0.855 41.201 42.059 -0.005 0.000 0.894 311 L HN 0.003 nan 8.230 nan 0.000 0.432 312 P HA -0.122 nan 4.420 nan 0.000 0.216 312 P C 1.487 178.775 177.300 -0.022 0.000 1.150 312 P CA 1.896 64.996 63.100 0.000 0.000 0.837 312 P CB -0.165 31.536 31.700 0.002 0.000 0.786 313 A N -0.742 122.049 122.820 -0.048 0.000 1.897 313 A HA -0.111 4.210 4.320 0.001 0.000 0.215 313 A C 2.294 179.807 177.584 -0.120 0.000 1.181 313 A CA 1.475 53.471 52.037 -0.069 0.000 0.620 313 A CB -1.589 17.366 19.000 -0.074 0.000 0.821 313 A HN 0.007 nan 8.150 nan 0.000 0.443 314 V N 0.414 120.220 119.914 -0.181 0.000 2.295 314 V HA -0.289 3.831 4.120 0.001 0.000 0.246 314 V C 2.426 178.310 176.094 -0.349 0.000 1.049 314 V CA 2.089 64.172 62.300 -0.361 0.000 1.024 314 V CB -0.759 30.746 31.823 -0.529 0.000 0.648 314 V HN 0.573 nan 8.190 nan 0.000 0.447 315 I N 0.042 120.537 120.570 -0.124 0.000 2.151 315 I HA -0.295 3.876 4.170 0.001 0.000 0.243 315 I C 2.561 178.697 176.117 0.031 0.000 1.080 315 I CA 2.121 63.471 61.300 0.083 0.000 1.339 315 I CB -0.689 37.394 38.000 0.137 0.000 1.039 315 I HN 0.339 nan 8.210 nan 0.000 0.409 316 T N -0.098 114.453 114.554 -0.005 0.000 2.737 316 T HA -0.156 4.195 4.350 0.001 0.000 0.265 316 T C 1.889 176.582 174.700 -0.011 0.000 1.038 316 T CA 2.047 64.150 62.100 0.006 0.000 1.144 316 T CB -0.424 68.452 68.868 0.013 0.000 0.866 316 T HN 0.394 nan 8.240 nan 0.000 0.434 317 T N 1.201 115.720 114.554 -0.058 0.000 2.684 317 T HA -0.177 4.174 4.350 0.001 0.000 0.267 317 T C 2.261 176.921 174.700 -0.067 0.000 1.036 317 T CA 1.313 63.370 62.100 -0.071 0.000 1.148 317 T CB -0.962 67.830 68.868 -0.126 0.000 0.863 317 T HN 0.517 nan 8.240 nan 0.000 0.436 318 C N 1.136 120.373 119.300 -0.105 0.000 2.429 318 C HA -0.009 4.451 4.460 0.001 0.000 0.277 318 C C 2.505 177.516 174.990 0.035 0.000 1.262 318 C CA 0.422 59.409 59.018 -0.052 0.000 1.733 318 C CB -1.500 26.245 27.740 0.009 0.000 2.010 318 C HN 0.356 nan 8.230 nan 0.000 0.483 319 L N 1.606 122.855 121.223 0.044 0.000 2.056 319 L HA 0.038 4.378 4.340 0.001 0.000 0.207 319 L C 2.900 179.794 176.870 0.039 0.000 1.078 319 L CA 2.251 57.122 54.840 0.051 0.000 0.749 319 L CB -1.550 40.540 42.059 0.052 0.000 0.901 319 L HN 0.432 nan 8.230 nan 0.000 0.433 320 A N -0.850 121.989 122.820 0.032 0.000 1.902 320 A HA -0.174 4.146 4.320 0.001 0.000 0.217 320 A C 2.357 179.960 177.584 0.031 0.000 1.181 320 A CA 1.625 53.682 52.037 0.032 0.000 0.623 320 A CB -0.715 18.305 19.000 0.034 0.000 0.818 320 A HN 0.375 nan 8.150 nan 0.000 0.443 321 L N -0.826 120.419 121.223 0.037 0.000 2.027 321 L HA -0.102 4.239 4.340 0.001 0.000 0.206 321 L C 2.862 179.757 176.870 0.042 0.000 1.074 321 L CA 1.194 56.061 54.840 0.045 0.000 0.745 321 L CB -0.764 41.356 42.059 0.102 0.000 0.898 321 L HN 0.480 nan 8.230 nan 0.000 0.433 322 G N -1.307 107.528 108.800 0.057 0.000 2.432 322 G HA2 -0.226 3.735 3.960 0.001 0.000 0.219 322 G HA3 -0.226 3.735 3.960 0.001 0.000 0.219 322 G C 1.579 176.496 174.900 0.029 0.000 1.135 322 G CA 1.230 46.359 45.100 0.048 0.000 0.767 322 G HN 0.268 nan 8.290 nan 0.000 0.550 323 T N 0.554 115.124 114.554 0.027 0.000 2.746 323 T HA -0.083 4.268 4.350 0.001 0.000 0.267 323 T C 2.506 177.213 174.700 0.012 0.000 1.039 323 T CA 1.085 63.196 62.100 0.018 0.000 1.142 323 T CB -0.130 68.749 68.868 0.019 0.000 0.866 323 T HN 0.283 nan 8.240 nan 0.000 0.444 324 R N 0.439 120.946 120.500 0.013 0.000 2.148 324 R HA 0.082 4.422 4.340 0.001 0.000 0.227 324 R C 2.653 178.954 176.300 0.002 0.000 1.103 324 R CA 0.758 56.862 56.100 0.007 0.000 0.983 324 R CB -0.154 30.150 30.300 0.007 0.000 0.874 324 R HN 0.263 nan 8.270 nan 0.000 0.451 325 R N 0.780 121.281 120.500 0.001 0.000 2.075 325 R HA -0.028 4.312 4.340 0.001 0.000 0.232 325 R C 2.136 178.436 176.300 -0.000 0.000 1.126 325 R CA 1.317 57.415 56.100 -0.003 0.000 0.963 325 R CB -0.016 30.284 30.300 -0.001 0.000 0.858 325 R HN 0.155 nan 8.270 nan 0.000 0.435 326 M N -0.254 119.348 119.600 0.003 0.000 2.229 326 M HA -0.075 4.405 4.480 0.001 0.000 0.264 326 M C 2.335 178.633 176.300 -0.004 0.000 1.063 326 M CA 1.463 56.763 55.300 -0.001 0.000 1.114 326 M CB -0.080 32.520 32.600 -0.001 0.000 1.387 326 M HN 0.266 nan 8.290 nan 0.000 0.420 327 A N 0.451 123.270 122.820 -0.001 0.000 1.933 327 A HA -0.143 4.177 4.320 0.001 0.000 0.218 327 A C 2.102 179.685 177.584 -0.002 0.000 1.175 327 A CA 1.389 53.425 52.037 -0.002 0.000 0.628 327 A CB -0.384 18.617 19.000 0.001 0.000 0.814 327 A HN 0.290 nan 8.150 nan 0.000 0.444 328 K N 0.083 120.482 120.400 -0.002 0.000 2.283 328 K HA -0.052 4.268 4.320 0.001 0.000 0.202 328 K C 0.887 177.485 176.600 -0.003 0.000 1.048 328 K CA 1.045 57.331 56.287 -0.002 0.000 0.948 328 K CB -0.137 32.362 32.500 -0.002 0.000 0.742 328 K HN 0.484 nan 8.250 nan 0.000 0.458 329 K N 0.946 121.343 120.400 -0.005 0.000 2.500 329 K HA 0.101 4.422 4.320 0.001 0.000 0.206 329 K C -0.243 176.351 176.600 -0.011 0.000 1.034 329 K CA -0.145 56.138 56.287 -0.008 0.000 1.179 329 K CB 0.231 32.725 32.500 -0.010 0.000 0.884 329 K HN 0.065 nan 8.250 nan 0.000 0.493 330 N N -0.570 118.125 118.700 -0.008 0.000 2.948 330 N HA -0.165 4.575 4.740 0.001 0.000 0.239 330 N C -0.607 174.896 175.510 -0.012 0.000 0.954 330 N CA 1.156 54.201 53.050 -0.008 0.000 0.941 330 N CB -1.082 37.401 38.487 -0.006 0.000 1.101 330 N HN 0.312 nan 8.380 nan 0.000 0.579 331 A N 1.049 123.860 122.820 -0.014 0.000 2.294 331 A HA 0.622 4.943 4.320 0.001 0.000 0.316 331 A C 0.504 178.081 177.584 -0.012 0.000 1.359 331 A CA -0.373 51.654 52.037 -0.018 0.000 0.956 331 A CB 0.074 19.059 19.000 -0.025 0.000 1.155 331 A HN 0.251 nan 8.150 nan 0.000 0.544 332 I N 3.943 124.507 120.570 -0.010 0.000 2.281 332 I HA 0.141 4.312 4.170 0.001 0.000 0.293 332 I C -0.335 175.776 176.117 -0.009 0.000 1.085 332 I CA -0.376 60.919 61.300 -0.007 0.000 1.257 332 I CB 1.024 39.021 38.000 -0.006 0.000 1.430 332 I HN 0.274 nan 8.210 nan 0.000 0.489 333 V N 7.687 127.597 119.914 -0.007 0.000 2.488 333 V HA 0.230 4.350 4.120 0.001 0.000 0.277 333 V C 1.227 177.315 176.094 -0.010 0.000 1.046 333 V CA -0.193 62.102 62.300 -0.008 0.000 0.986 333 V CB 1.111 32.932 31.823 -0.003 0.000 0.989 333 V HN 0.739 nan 8.190 nan 0.000 0.475 334 R N 2.063 122.554 120.500 -0.014 0.000 2.195 334 R HA 0.142 4.482 4.340 0.001 0.000 0.197 334 R C 0.837 177.122 176.300 -0.024 0.000 0.990 334 R CA 0.302 56.389 56.100 -0.021 0.000 1.048 334 R CB 0.364 30.651 30.300 -0.023 0.000 0.997 334 R HN 0.576 nan 8.270 nan 0.000 0.502 335 S N 1.409 117.098 115.700 -0.019 0.000 2.520 335 S HA 0.190 4.660 4.470 0.001 0.000 0.324 335 S C 1.193 175.789 174.600 -0.007 0.000 1.069 335 S CA -0.605 57.584 58.200 -0.018 0.000 1.121 335 S CB 0.615 63.804 63.200 -0.018 0.000 0.971 335 S HN 0.061 nan 8.310 nan 0.000 0.463 336 L N 5.682 126.903 121.223 -0.003 0.000 2.043 336 L HA 0.018 4.359 4.340 0.001 0.000 0.212 336 L C -0.733 176.148 176.870 0.018 0.000 1.075 336 L CA 1.958 56.805 54.840 0.011 0.000 0.752 336 L CB -2.643 39.426 42.059 0.017 0.000 0.891 336 L HN 0.506 nan 8.230 nan 0.000 0.432 337 P HA -0.036 nan 4.420 nan 0.000 0.230 337 P C 1.661 178.967 177.300 0.010 0.000 1.158 337 P CA 0.794 63.905 63.100 0.018 0.000 0.769 337 P CB 0.085 31.792 31.700 0.011 0.000 0.807 338 S N -0.690 115.012 115.700 0.002 0.000 2.489 338 S HA -0.069 4.401 4.470 0.001 0.000 0.228 338 S C 1.877 176.474 174.600 -0.006 0.000 0.995 338 S CA 0.908 59.103 58.200 -0.007 0.000 0.934 338 S CB -1.069 62.124 63.200 -0.011 0.000 0.771 338 S HN 0.145 nan 8.310 nan 0.000 0.522 339 V N 1.057 120.976 119.914 0.008 0.000 2.392 339 V HA -0.199 3.921 4.120 0.001 0.000 0.249 339 V C 2.107 178.208 176.094 0.012 0.000 1.059 339 V CA 2.078 64.387 62.300 0.015 0.000 1.051 339 V CB -0.683 31.160 31.823 0.034 0.000 0.658 339 V HN 0.493 nan 8.190 nan 0.000 0.455 340 E N 0.932 121.139 120.200 0.012 0.000 2.028 340 E HA -0.202 4.148 4.350 0.001 0.000 0.191 340 E C 2.248 178.788 176.600 -0.101 0.000 0.988 340 E CA 2.110 58.490 56.400 -0.034 0.000 0.799 340 E CB -0.357 29.329 29.700 -0.024 0.000 0.755 340 E HN 0.721 nan 8.360 nan 0.000 0.447 341 T N 2.107 116.619 114.554 -0.070 0.000 2.737 341 T HA -0.205 4.146 4.350 0.001 0.000 0.269 341 T C 1.853 176.517 174.700 -0.060 0.000 1.040 341 T CA 1.260 63.319 62.100 -0.069 0.000 1.142 341 T CB -0.334 68.508 68.868 -0.043 0.000 0.861 341 T HN 0.112 nan 8.240 nan 0.000 0.456 342 L N 1.586 122.782 121.223 -0.044 0.000 2.042 342 L HA 0.082 4.422 4.340 0.001 0.000 0.210 342 L C 2.590 179.434 176.870 -0.044 0.000 1.076 342 L CA 1.921 56.738 54.840 -0.038 0.000 0.749 342 L CB -1.146 40.895 42.059 -0.029 0.000 0.893 342 L HN 0.315 nan 8.230 nan 0.000 0.432 343 G N -1.901 106.869 108.800 -0.050 0.000 2.443 343 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 343 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 343 G C 1.362 176.219 174.900 -0.071 0.000 1.131 343 G CA 0.908 45.978 45.100 -0.050 0.000 0.775 343 G HN 0.531 nan 8.290 nan 0.000 0.547 344 C N 1.236 120.479 119.300 -0.095 0.000 2.626 344 C HA 0.223 4.684 4.460 0.001 0.000 0.266 344 C C 1.342 176.303 174.990 -0.049 0.000 1.317 344 C CA -0.728 58.236 59.018 -0.089 0.000 1.716 344 C CB -1.160 26.509 27.740 -0.119 0.000 1.819 344 C HN 0.265 nan 8.230 nan 0.000 0.578 345 T N 2.011 116.542 114.554 -0.038 0.000 2.849 345 T HA 0.041 4.391 4.350 0.001 0.000 0.289 345 T C 1.173 175.869 174.700 -0.008 0.000 1.010 345 T CA 0.901 62.989 62.100 -0.020 0.000 1.161 345 T CB 0.460 69.315 68.868 -0.022 0.000 0.989 345 T HN 0.708 nan 8.240 nan 0.000 0.523 346 S N 1.397 117.101 115.700 0.006 0.000 2.520 346 S HA 0.326 4.796 4.470 0.001 0.000 0.219 346 S C 0.305 174.923 174.600 0.031 0.000 1.028 346 S CA -0.441 57.769 58.200 0.016 0.000 0.921 346 S CB 0.470 63.681 63.200 0.019 0.000 0.844 346 S HN 0.429 nan 8.310 nan 0.000 0.495 347 V N 2.285 122.222 119.914 0.038 0.000 2.623 347 V HA 0.519 4.640 4.120 0.001 0.000 0.304 347 V C -1.126 175.003 176.094 0.059 0.000 1.054 347 V CA -0.762 61.571 62.300 0.054 0.000 0.882 347 V CB 1.730 33.593 31.823 0.067 0.000 1.002 347 V HN 0.368 nan 8.190 nan 0.000 0.424 348 I N 3.715 124.335 120.570 0.082 0.000 2.330 348 I HA 0.401 4.572 4.170 0.001 0.000 0.289 348 I C -0.349 175.844 176.117 0.127 0.000 1.001 348 I CA -0.162 61.204 61.300 0.109 0.000 1.193 348 I CB 1.296 39.392 38.000 0.160 0.000 1.345 348 I HN 0.526 nan 8.210 nan 0.000 0.461 349 C N 4.386 123.745 119.300 0.099 0.000 2.285 349 C HA 0.544 5.005 4.460 0.001 0.000 0.335 349 C C 0.646 175.692 174.990 0.093 0.000 1.267 349 C CA -0.404 58.667 59.018 0.088 0.000 1.762 349 C CB 0.123 27.898 27.740 0.058 0.000 2.365 349 C HN 0.770 nan 8.230 nan 0.000 0.527 350 S N 2.444 118.197 115.700 0.089 0.000 2.561 350 S HA 0.328 4.799 4.470 0.001 0.000 0.303 350 S C -0.683 173.939 174.600 0.036 0.000 1.110 350 S CA -0.534 57.724 58.200 0.096 0.000 1.034 350 S CB 0.485 63.787 63.200 0.170 0.000 1.010 350 S HN 0.764 nan 8.310 nan 0.000 0.482 351 D N 3.170 123.593 120.400 0.038 0.000 2.423 351 D HA 0.044 4.685 4.640 0.001 0.000 0.238 351 D C 0.911 177.211 176.300 0.000 0.000 1.142 351 D CA 0.086 54.097 54.000 0.019 0.000 0.884 351 D CB 0.895 41.708 40.800 0.022 0.000 1.199 351 D HN 0.563 nan 8.370 nan 0.000 0.438 352 K N 0.774 121.165 120.400 -0.014 0.000 2.020 352 K HA -0.043 4.278 4.320 0.001 0.000 0.206 352 K C 0.260 176.850 176.600 -0.017 0.000 1.038 352 K CA 0.593 56.858 56.287 -0.036 0.000 0.947 352 K CB -0.014 32.463 32.500 -0.038 0.000 0.744 352 K HN 0.306 nan 8.250 nan 0.000 0.442 353 T N 0.697 115.249 114.554 -0.003 0.000 2.817 353 T HA 0.206 4.556 4.350 0.001 0.000 0.295 353 T C 0.697 175.406 174.700 0.015 0.000 0.958 353 T CA 0.704 62.807 62.100 0.005 0.000 1.157 353 T CB 0.724 69.598 68.868 0.010 0.000 0.898 353 T HN 0.635 nan 8.240 nan 0.000 0.536 354 G N 3.454 112.264 108.800 0.017 0.000 2.253 354 G HA2 -0.323 3.637 3.960 0.001 0.000 0.251 354 G HA3 -0.323 3.637 3.960 0.001 0.000 0.251 354 G C 1.006 175.927 174.900 0.035 0.000 0.998 354 G CA 0.655 45.771 45.100 0.027 0.000 0.621 354 G HN 0.687 nan 8.290 nan 0.000 0.524 355 T N -0.031 114.546 114.554 0.038 0.000 3.111 355 T HA 0.307 4.658 4.350 0.001 0.000 0.236 355 T C 2.124 176.869 174.700 0.075 0.000 0.984 355 T CA 1.221 63.365 62.100 0.073 0.000 1.195 355 T CB -0.044 68.878 68.868 0.090 0.000 0.929 355 T HN 0.085 nan 8.240 nan 0.000 0.431 356 L N 1.692 122.912 121.223 -0.005 0.000 2.162 356 L HA 0.229 4.570 4.340 0.001 0.000 0.205 356 L C 1.594 178.436 176.870 -0.047 0.000 1.086 356 L CA 1.010 55.799 54.840 -0.084 0.000 0.778 356 L CB -0.731 41.217 42.059 -0.186 0.000 0.928 356 L HN 0.421 nan 8.230 nan 0.000 0.446 357 T N -5.280 109.257 114.554 -0.028 0.000 2.937 357 T HA 0.323 4.673 4.350 0.001 0.000 0.283 357 T C 1.122 175.817 174.700 -0.007 0.000 1.012 357 T CA 0.118 62.204 62.100 -0.023 0.000 0.997 357 T CB 1.289 70.140 68.868 -0.027 0.000 1.136 357 T HN 0.159 nan 8.240 nan 0.000 0.551 358 T N -1.712 112.833 114.554 -0.015 0.000 3.088 358 T HA 0.107 4.458 4.350 0.001 0.000 0.259 358 T C 1.045 175.745 174.700 0.000 0.000 1.122 358 T CA 0.618 62.712 62.100 -0.010 0.000 1.095 358 T CB -0.945 67.904 68.868 -0.032 0.000 0.930 358 T HN 0.936 nan 8.240 nan 0.000 0.508 359 N N 1.225 119.927 118.700 0.004 0.000 2.721 359 N HA -0.175 4.565 4.740 0.001 0.000 0.249 359 N C -0.968 174.567 175.510 0.042 0.000 1.072 359 N CA 0.193 53.263 53.050 0.034 0.000 0.710 359 N CB -0.501 38.019 38.487 0.055 0.000 0.993 359 N HN 0.577 nan 8.380 nan 0.000 0.547 360 Q N 1.090 120.845 119.800 -0.074 0.000 2.644 360 Q HA 0.190 4.531 4.340 0.001 0.000 0.245 360 Q C -0.436 175.354 176.000 -0.350 0.000 1.064 360 Q CA -0.365 55.246 55.803 -0.320 0.000 0.860 360 Q CB 1.163 29.713 28.738 -0.313 0.000 1.145 360 Q HN 0.351 nan 8.270 nan 0.000 0.515 361 M N 1.680 121.152 119.600 -0.214 0.000 2.219 361 M HA 0.134 4.615 4.480 0.001 0.000 0.353 361 M C -0.461 175.766 176.300 -0.121 0.000 1.304 361 M CA 0.466 55.723 55.300 -0.072 0.000 1.115 361 M CB 0.847 33.498 32.600 0.084 0.000 1.664 361 M HN 0.239 nan 8.290 nan 0.000 0.459 362 S N 3.743 119.384 115.700 -0.098 0.000 2.575 362 S HA 0.646 5.117 4.470 0.001 0.000 0.278 362 S C -1.357 173.204 174.600 -0.064 0.000 1.139 362 S CA -0.868 57.278 58.200 -0.091 0.000 0.954 362 S CB 1.045 64.165 63.200 -0.133 0.000 1.054 362 S HN 0.509 nan 8.310 nan 0.000 0.483 363 V N 4.840 124.726 119.914 -0.047 0.000 2.508 363 V HA 0.175 4.296 4.120 0.001 0.000 0.281 363 V C 1.108 177.153 176.094 -0.081 0.000 1.041 363 V CA -0.163 62.103 62.300 -0.055 0.000 1.016 363 V CB 0.304 32.105 31.823 -0.037 0.000 0.984 363 V HN 1.120 nan 8.190 nan 0.000 0.478 364 C N 2.302 121.531 119.300 -0.118 0.000 3.642 364 C HA 0.532 4.993 4.460 0.001 0.000 0.305 364 C C 0.439 175.313 174.990 -0.194 0.000 1.492 364 C CA -0.826 58.110 59.018 -0.136 0.000 1.809 364 C CB -1.102 26.554 27.740 -0.139 0.000 2.639 364 C HN 0.769 nan 8.230 nan 0.000 0.672 365 K N 1.606 121.846 120.400 -0.268 0.000 2.502 365 K HA 0.780 5.100 4.320 0.001 0.000 0.257 365 K C -0.981 175.544 176.600 -0.125 0.000 0.938 365 K CA -0.255 55.797 56.287 -0.392 0.000 0.819 365 K CB 2.317 34.115 32.500 -1.169 0.000 1.333 365 K HN 0.517 nan 8.250 nan 0.000 0.434 366 M N 0.792 120.523 119.600 0.217 0.000 2.603 366 M HA 0.641 5.122 4.480 0.001 0.000 0.275 366 M C -1.744 174.952 176.300 0.659 0.000 1.226 366 M CA -0.963 54.590 55.300 0.422 0.000 0.870 366 M CB 1.939 34.647 32.600 0.179 0.000 1.716 366 M HN 0.575 nan 8.290 nan 0.000 0.482 367 F N 1.073 121.268 119.950 0.409 0.000 2.645 367 F HA 0.920 5.448 4.527 0.001 0.000 0.310 367 F C -1.691 174.232 175.800 0.205 0.000 1.102 367 F CA -1.044 57.114 58.000 0.264 0.000 0.952 367 F CB 1.366 40.434 39.000 0.113 0.000 1.326 367 F HN 0.815 nan 8.300 nan 0.000 0.456 368 I N 0.225 121.079 120.570 0.474 0.000 3.042 368 I HA 0.606 4.777 4.170 0.001 0.000 0.310 368 I C -1.052 175.315 176.117 0.417 0.000 1.117 368 I CA -1.424 60.093 61.300 0.361 0.000 1.003 368 I CB 2.145 40.279 38.000 0.224 0.000 1.228 368 I HN 0.488 nan 8.210 nan 0.000 0.443 369 I N 2.165 122.957 120.570 0.370 0.000 2.471 369 I HA 0.089 4.259 4.170 0.001 0.000 0.286 369 I C 0.454 176.680 176.117 0.182 0.000 1.079 369 I CA 0.498 61.956 61.300 0.263 0.000 1.398 369 I CB 0.668 38.823 38.000 0.258 0.000 1.403 369 I HN 0.842 nan 8.210 nan 0.000 0.530 370 D N 4.331 124.805 120.400 0.124 0.000 2.262 370 D HA -0.001 4.639 4.640 0.001 0.000 0.212 370 D C 0.371 176.731 176.300 0.099 0.000 0.964 370 D CA 1.042 55.108 54.000 0.109 0.000 0.875 370 D CB 0.601 41.439 40.800 0.062 0.000 0.996 370 D HN 0.504 nan 8.370 nan 0.000 0.497 371 K N -0.463 119.987 120.400 0.083 0.000 2.569 371 K HA 0.469 4.790 4.320 0.001 0.000 0.259 371 K C -2.220 174.425 176.600 0.074 0.000 0.932 371 K CA -0.677 55.655 56.287 0.076 0.000 0.833 371 K CB 1.905 34.442 32.500 0.061 0.000 1.340 371 K HN -0.197 nan 8.250 nan 0.000 0.429 372 V N 3.306 123.266 119.914 0.077 0.000 2.525 372 V HA 0.498 4.618 4.120 0.001 0.000 0.299 372 V C -1.445 174.693 176.094 0.074 0.000 1.034 372 V CA -0.575 61.768 62.300 0.071 0.000 0.863 372 V CB 1.795 33.656 31.823 0.064 0.000 0.999 372 V HN 0.832 nan 8.190 nan 0.000 0.423 373 D N 3.502 123.954 120.400 0.087 0.000 2.381 373 D HA 0.522 5.163 4.640 0.001 0.000 0.245 373 D C 0.618 176.950 176.300 0.053 0.000 1.297 373 D CA 0.991 55.046 54.000 0.091 0.000 0.931 373 D CB 1.309 42.192 40.800 0.139 0.000 1.334 373 D HN 0.837 nan 8.370 nan 0.000 0.535 374 G N 3.918 112.713 108.800 -0.008 0.000 2.596 374 G HA2 -0.377 3.583 3.960 0.001 0.000 0.304 374 G HA3 -0.377 3.583 3.960 0.001 0.000 0.304 374 G C 0.814 175.624 174.900 -0.151 0.000 1.189 374 G CA 0.569 45.617 45.100 -0.086 0.000 0.986 374 G HN 0.484 nan 8.290 nan 0.000 0.548 375 D N 0.805 121.009 120.400 -0.328 0.000 2.348 375 D HA 0.158 4.798 4.640 0.001 0.000 0.216 375 D C 0.876 176.976 176.300 -0.334 0.000 0.970 375 D CA 0.759 54.526 54.000 -0.388 0.000 0.889 375 D CB -0.101 40.377 40.800 -0.536 0.000 0.912 375 D HN 0.165 nan 8.370 nan 0.000 0.524 376 F N 0.310 120.248 119.950 -0.020 0.000 2.399 376 F HA 0.369 4.897 4.527 0.001 0.000 0.334 376 F C 0.537 176.322 175.800 -0.025 0.000 1.097 376 F CA -1.464 56.522 58.000 -0.024 0.000 1.076 376 F CB 1.238 40.228 39.000 -0.017 0.000 1.162 376 F HN -0.207 nan 8.300 nan 0.000 0.495 377 C N 2.358 121.762 119.300 0.174 0.000 2.985 377 C HA 0.849 5.310 4.460 0.001 0.000 0.314 377 C C -0.901 174.103 174.990 0.023 0.000 1.215 377 C CA -0.294 58.764 59.018 0.067 0.000 1.414 377 C CB 0.945 28.692 27.740 0.012 0.000 1.842 377 C HN 1.034 nan 8.230 nan 0.000 0.477 378 S N 4.762 120.464 115.700 0.003 0.000 2.556 378 S HA 0.819 5.289 4.470 0.001 0.000 0.271 378 S C -1.574 173.003 174.600 -0.037 0.000 1.135 378 S CA -0.706 57.474 58.200 -0.033 0.000 0.858 378 S CB 1.118 64.305 63.200 -0.023 0.000 1.114 378 S HN 0.867 nan 8.310 nan 0.000 0.468 379 L N 1.700 122.868 121.223 -0.091 0.000 2.342 379 L HA 0.583 4.923 4.340 0.001 0.000 0.271 379 L C -0.621 176.189 176.870 -0.100 0.000 1.008 379 L CA -1.034 53.753 54.840 -0.088 0.000 0.818 379 L CB 1.676 43.570 42.059 -0.274 0.000 1.296 379 L HN 0.652 nan 8.230 nan 0.000 0.427 380 N N 1.657 120.318 118.700 -0.065 0.000 2.462 380 N HA 0.191 4.932 4.740 0.001 0.000 0.242 380 N C -0.924 174.297 175.510 -0.482 0.000 1.010 380 N CA -0.136 52.729 53.050 -0.308 0.000 0.939 380 N CB 0.914 39.270 38.487 -0.219 0.000 1.127 380 N HN 0.499 nan 8.380 nan 0.000 0.509 381 E N 2.717 122.560 120.200 -0.595 0.000 2.158 381 E HA 0.393 4.743 4.350 0.001 0.000 0.271 381 E C -1.064 175.201 176.600 -0.558 0.000 0.911 381 E CA -0.446 55.788 56.400 -0.277 0.000 0.767 381 E CB 0.772 30.452 29.700 -0.032 0.000 1.120 381 E HN 0.291 nan 8.360 nan 0.000 0.405 382 F N 1.061 121.084 119.950 0.122 0.000 2.598 382 F HA 0.459 4.986 4.527 0.001 0.000 0.327 382 F C 0.334 176.140 175.800 0.010 0.000 1.057 382 F CA -0.833 57.181 58.000 0.023 0.000 0.957 382 F CB 1.953 40.930 39.000 -0.039 0.000 1.278 382 F HN 0.365 nan 8.300 nan 0.000 0.484 383 S N 1.649 117.449 115.700 0.168 0.000 2.600 383 S HA 0.884 5.354 4.470 0.001 0.000 0.300 383 S C -1.352 173.265 174.600 0.028 0.000 1.087 383 S CA -0.744 57.478 58.200 0.036 0.000 0.965 383 S CB 1.903 65.098 63.200 -0.009 0.000 1.089 383 S HN 0.440 nan 8.310 nan 0.000 0.496 384 I N 1.819 122.374 120.570 -0.026 0.000 2.533 384 I HA 0.405 4.576 4.170 0.001 0.000 0.290 384 I C 0.140 176.230 176.117 -0.046 0.000 1.056 384 I CA -0.553 60.727 61.300 -0.034 0.000 1.057 384 I CB 1.140 39.112 38.000 -0.047 0.000 1.240 384 I HN 0.912 nan 8.210 nan 0.000 0.423 385 T N 0.829 115.360 114.554 -0.038 0.000 2.909 385 T HA 0.790 5.140 4.350 0.001 0.000 0.286 385 T C 0.351 175.023 174.700 -0.048 0.000 1.002 385 T CA -0.419 61.657 62.100 -0.041 0.000 1.074 385 T CB 1.720 70.570 68.868 -0.029 0.000 0.984 385 T HN 1.478 nan 8.240 nan 0.000 0.495 386 G N 0.759 109.528 108.800 -0.051 0.000 3.226 386 G HA2 0.181 4.142 3.960 0.001 0.000 0.685 386 G HA3 0.181 4.142 3.960 0.001 0.000 0.685 386 G C 0.159 175.015 174.900 -0.074 0.000 1.207 386 G CA -0.152 44.914 45.100 -0.057 0.000 0.877 386 G HN 1.579 nan 8.290 nan 0.000 0.585 387 S N -0.042 115.611 115.700 -0.077 0.000 2.539 387 S HA 0.511 4.982 4.470 0.001 0.000 0.221 387 S C 1.023 175.534 174.600 -0.149 0.000 0.987 387 S CA 1.102 59.239 58.200 -0.104 0.000 0.929 387 S CB 0.811 63.961 63.200 -0.085 0.000 0.832 387 S HN 1.762 nan 8.310 nan 0.000 0.492 388 T N -0.411 114.068 114.554 -0.125 0.000 2.944 388 T HA 0.475 4.825 4.350 0.001 0.000 0.284 388 T C 0.213 174.825 174.700 -0.148 0.000 1.010 388 T CA -0.562 61.451 62.100 -0.145 0.000 1.025 388 T CB 0.543 69.397 68.868 -0.024 0.000 1.079 388 T HN 0.156 nan 8.240 nan 0.000 0.516 389 Y N 1.352 121.648 120.300 -0.006 0.000 2.680 389 Y HA 0.314 4.864 4.550 0.001 0.000 0.303 389 Y C 1.679 177.483 175.900 -0.160 0.000 1.166 389 Y CA 0.126 58.207 58.100 -0.032 0.000 1.344 389 Y CB -1.075 37.409 38.460 0.039 0.000 1.002 389 Y HN 0.680 nan 8.280 nan 0.000 0.537 390 A N 1.888 124.643 122.820 -0.110 0.000 2.425 390 A HA 0.193 4.513 4.320 0.001 0.000 0.249 390 A C -1.276 176.111 177.584 -0.328 0.000 1.084 390 A CA -1.157 50.583 52.037 -0.494 0.000 0.781 390 A CB 0.075 18.927 19.000 -0.247 0.000 1.019 390 A HN 0.088 nan 8.150 nan 0.000 0.490 391 P HA -0.035 nan 4.420 nan 0.000 0.251 391 P C -0.261 176.957 177.300 -0.137 0.000 1.251 391 P CA 0.534 63.511 63.100 -0.205 0.000 0.763 391 P CB -0.114 31.474 31.700 -0.187 0.000 1.067 392 E N 0.883 121.003 120.200 -0.133 0.000 2.129 392 E HA 0.478 4.829 4.350 0.001 0.000 0.283 392 E C 0.774 177.339 176.600 -0.059 0.000 1.080 392 E CA -0.258 56.098 56.400 -0.073 0.000 0.867 392 E CB 0.300 29.973 29.700 -0.045 0.000 1.056 392 E HN 0.172 nan 8.360 nan 0.000 0.404 393 G N 2.808 111.579 108.800 -0.048 0.000 2.350 393 G HA2 0.146 4.107 3.960 0.001 0.000 0.304 393 G HA3 0.146 4.107 3.960 0.001 0.000 0.304 393 G C -1.604 173.272 174.900 -0.039 0.000 1.421 393 G CA -0.973 44.102 45.100 -0.042 0.000 0.934 393 G HN 0.500 nan 8.290 nan 0.000 0.632 394 E N -1.291 118.890 120.200 -0.031 0.000 2.393 394 E HA 0.701 5.052 4.350 0.001 0.000 0.273 394 E C -0.969 175.618 176.600 -0.022 0.000 0.918 394 E CA -1.130 55.255 56.400 -0.026 0.000 0.773 394 E CB 2.412 32.104 29.700 -0.014 0.000 1.275 394 E HN 0.487 nan 8.360 nan 0.000 0.451 395 V N 2.143 122.042 119.914 -0.025 0.000 2.546 395 V HA 0.335 4.456 4.120 0.001 0.000 0.284 395 V C -0.033 176.086 176.094 0.041 0.000 1.050 395 V CA -0.390 61.901 62.300 -0.015 0.000 0.981 395 V CB 0.402 32.171 31.823 -0.089 0.000 0.990 395 V HN 0.490 nan 8.190 nan 0.000 0.474 396 L N 4.157 125.434 121.223 0.091 0.000 2.370 396 L HA 0.681 5.022 4.340 0.001 0.000 0.266 396 L C -0.437 176.557 176.870 0.207 0.000 1.002 396 L CA -0.728 54.184 54.840 0.120 0.000 0.818 396 L CB 2.114 44.213 42.059 0.066 0.000 1.325 396 L HN 0.513 nan 8.230 nan 0.000 0.418 397 K N 1.568 122.083 120.400 0.192 0.000 2.345 397 K HA 0.371 4.691 4.320 0.001 0.000 0.255 397 K C -0.329 176.303 176.600 0.053 0.000 0.934 397 K CA -0.584 55.772 56.287 0.116 0.000 0.801 397 K CB 1.155 33.726 32.500 0.119 0.000 1.137 397 K HN 0.692 nan 8.250 nan 0.000 0.424 398 N N 3.857 122.560 118.700 0.006 0.000 2.708 398 N HA -0.238 4.502 4.740 0.001 0.000 0.251 398 N C -1.000 174.522 175.510 0.019 0.000 1.017 398 N CA 0.994 54.047 53.050 0.006 0.000 0.742 398 N CB -0.699 37.789 38.487 0.002 0.000 0.943 398 N HN 0.847 nan 8.380 nan 0.000 0.539 399 D N -2.724 117.692 120.400 0.026 0.000 2.946 399 D HA -0.207 4.434 4.640 0.001 0.000 0.202 399 D C 0.168 176.488 176.300 0.032 0.000 1.068 399 D CA 1.518 55.532 54.000 0.024 0.000 1.011 399 D CB -0.659 40.149 40.800 0.012 0.000 1.105 399 D HN 0.684 nan 8.370 nan 0.000 0.425 400 K N 0.996 121.424 120.400 0.046 0.000 2.185 400 K HA 0.419 4.740 4.320 0.001 0.000 0.269 400 K C -2.729 173.914 176.600 0.073 0.000 0.987 400 K CA -1.844 54.474 56.287 0.051 0.000 0.865 400 K CB 1.558 34.088 32.500 0.051 0.000 1.090 400 K HN -0.255 nan 8.250 nan 0.000 0.450 401 P HA -0.031 nan 4.420 nan 0.000 0.264 401 P C -0.696 176.656 177.300 0.086 0.000 1.193 401 P CA -0.067 63.070 63.100 0.062 0.000 0.763 401 P CB 0.326 32.048 31.700 0.036 0.000 0.810 402 I N 0.261 120.899 120.570 0.114 0.000 2.892 402 I HA 0.556 4.726 4.170 0.001 0.000 0.306 402 I C -0.374 175.801 176.117 0.096 0.000 1.078 402 I CA -1.679 59.712 61.300 0.151 0.000 1.032 402 I CB 1.965 40.162 38.000 0.329 0.000 1.229 402 I HN 0.221 nan 8.210 nan 0.000 0.435 403 R N 2.377 122.921 120.500 0.073 0.000 2.316 403 R HA 0.241 4.582 4.340 0.001 0.000 0.314 403 R C 0.528 176.855 176.300 0.044 0.000 1.069 403 R CA 0.092 56.202 56.100 0.017 0.000 0.959 403 R CB 0.867 31.151 30.300 -0.026 0.000 0.987 403 R HN 0.868 nan 8.270 nan 0.000 0.446 404 S N 2.874 118.564 115.700 -0.016 0.000 2.382 404 S HA -0.109 4.362 4.470 0.001 0.000 0.228 404 S C 1.724 176.307 174.600 -0.028 0.000 1.027 404 S CA 1.476 59.648 58.200 -0.047 0.000 0.991 404 S CB -0.038 63.067 63.200 -0.158 0.000 0.823 404 S HN 0.896 nan 8.310 nan 0.000 0.469 405 G N 0.391 109.130 108.800 -0.102 0.000 2.535 405 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 405 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 405 G C 1.127 175.956 174.900 -0.118 0.000 1.122 405 G CA 0.422 45.436 45.100 -0.143 0.000 0.769 405 G HN 0.503 nan 8.290 nan 0.000 0.549 406 Q N -0.840 118.862 119.800 -0.163 0.000 2.436 406 Q HA 0.094 4.435 4.340 0.001 0.000 0.209 406 Q C -0.390 175.282 176.000 -0.546 0.000 0.965 406 Q CA 0.209 55.790 55.803 -0.370 0.000 0.910 406 Q CB 0.006 28.433 28.738 -0.519 0.000 0.980 406 Q HN 0.455 nan 8.270 nan 0.000 0.491 407 F N 0.073 119.999 119.950 -0.040 0.000 2.427 407 F HA 0.241 4.769 4.527 0.001 0.000 0.348 407 F C 0.509 176.288 175.800 -0.035 0.000 1.125 407 F CA -1.078 56.920 58.000 -0.003 0.000 0.989 407 F CB 1.379 40.402 39.000 0.038 0.000 1.165 407 F HN -0.131 nan 8.300 nan 0.000 0.442 408 D N 2.524 123.000 120.400 0.126 0.000 2.149 408 D HA -0.137 4.504 4.640 0.001 0.000 0.198 408 D C 2.258 178.600 176.300 0.069 0.000 0.990 408 D CA 1.488 55.529 54.000 0.069 0.000 0.839 408 D CB -0.112 40.727 40.800 0.065 0.000 0.948 408 D HN 0.833 nan 8.370 nan 0.000 0.460 409 G N 0.881 109.752 108.800 0.118 0.000 2.450 409 G HA2 -0.199 3.762 3.960 0.001 0.000 0.220 409 G HA3 -0.199 3.762 3.960 0.001 0.000 0.220 409 G C 1.778 176.693 174.900 0.025 0.000 1.130 409 G CA 0.195 45.347 45.100 0.087 0.000 0.760 409 G HN 0.259 nan 8.290 nan 0.000 0.557 410 L N 0.162 121.394 121.223 0.016 0.000 2.240 410 L HA -0.004 4.337 4.340 0.001 0.000 0.211 410 L C 2.901 179.691 176.870 -0.133 0.000 1.106 410 L CA 0.066 54.851 54.840 -0.092 0.000 0.793 410 L CB -0.226 41.729 42.059 -0.174 0.000 0.927 410 L HN 0.082 nan 8.230 nan 0.000 0.446 411 V N 0.078 119.920 119.914 -0.120 0.000 2.343 411 V HA -0.304 3.816 4.120 0.001 0.000 0.247 411 V C 2.441 178.448 176.094 -0.145 0.000 1.051 411 V CA 2.046 64.229 62.300 -0.196 0.000 1.036 411 V CB -0.359 31.365 31.823 -0.164 0.000 0.654 411 V HN 0.496 nan 8.190 nan 0.000 0.451 412 E N -0.354 119.796 120.200 -0.085 0.000 2.107 412 E HA -0.183 4.168 4.350 0.001 0.000 0.191 412 E C 2.273 178.785 176.600 -0.148 0.000 0.982 412 E CA 0.736 57.081 56.400 -0.091 0.000 0.809 412 E CB -0.081 29.608 29.700 -0.018 0.000 0.756 412 E HN 0.397 nan 8.360 nan 0.000 0.459 413 L N 1.082 122.227 121.223 -0.130 0.000 2.013 413 L HA -0.201 4.139 4.340 0.001 0.000 0.212 413 L C 2.285 179.057 176.870 -0.163 0.000 1.073 413 L CA 2.430 57.182 54.840 -0.146 0.000 0.753 413 L CB -1.362 40.619 42.059 -0.131 0.000 0.890 413 L HN 0.212 nan 8.230 nan 0.000 0.432 414 A N -1.238 121.479 122.820 -0.171 0.000 1.930 414 A HA -0.166 4.155 4.320 0.001 0.000 0.217 414 A C 2.180 179.653 177.584 -0.184 0.000 1.175 414 A CA 1.999 53.935 52.037 -0.168 0.000 0.627 414 A CB -0.896 17.992 19.000 -0.186 0.000 0.815 414 A HN 0.541 nan 8.150 nan 0.000 0.443 415 T N 0.620 115.036 114.554 -0.229 0.000 2.674 415 T HA -0.132 4.219 4.350 0.001 0.000 0.265 415 T C 1.818 176.222 174.700 -0.493 0.000 1.039 415 T CA 1.590 63.489 62.100 -0.335 0.000 1.150 415 T CB -0.464 68.171 68.868 -0.389 0.000 0.864 415 T HN 0.426 nan 8.240 nan 0.000 0.427 416 I N 0.843 121.121 120.570 -0.487 0.000 2.163 416 I HA -0.222 3.949 4.170 0.001 0.000 0.243 416 I C 2.744 178.747 176.117 -0.190 0.000 1.085 416 I CA 0.955 62.036 61.300 -0.365 0.000 1.347 416 I CB -0.572 37.324 38.000 -0.173 0.000 1.044 416 I HN 0.339 nan 8.210 nan 0.000 0.408 417 C N 0.693 119.900 119.300 -0.155 0.000 2.413 417 C HA -0.155 4.306 4.460 0.001 0.000 0.276 417 C C 3.172 178.112 174.990 -0.084 0.000 1.248 417 C CA 1.077 60.037 59.018 -0.097 0.000 1.742 417 C CB -1.226 26.459 27.740 -0.092 0.000 2.017 417 C HN 0.616 nan 8.230 nan 0.000 0.481 418 A N -0.347 122.407 122.820 -0.110 0.000 1.898 418 A HA 0.041 4.362 4.320 0.001 0.000 0.214 418 A C 2.087 179.632 177.584 -0.065 0.000 1.183 418 A CA 1.210 53.200 52.037 -0.078 0.000 0.622 418 A CB -0.385 18.570 19.000 -0.074 0.000 0.824 418 A HN 0.587 nan 8.150 nan 0.000 0.444 419 L N -1.461 119.699 121.223 -0.104 0.000 2.145 419 L HA 0.012 4.353 4.340 0.001 0.000 0.201 419 L C 1.434 178.311 176.870 0.012 0.000 1.075 419 L CA 0.245 55.055 54.840 -0.049 0.000 0.773 419 L CB -0.209 41.801 42.059 -0.081 0.000 0.936 419 L HN 0.407 nan 8.230 nan 0.000 0.451 420 C N 2.860 122.167 119.300 0.012 0.000 2.896 420 C HA 0.247 4.708 4.460 0.001 0.000 0.499 420 C C 0.156 175.171 174.990 0.041 0.000 1.022 420 C CA -0.230 58.823 59.018 0.059 0.000 1.127 420 C CB -2.410 25.381 27.740 0.086 0.000 1.452 420 C HN 0.368 nan 8.230 nan 0.000 0.580 421 N N 2.169 120.892 118.700 0.039 0.000 2.600 421 N HA 0.167 4.907 4.740 0.001 0.000 0.272 421 N C -0.933 174.596 175.510 0.031 0.000 1.095 421 N CA -0.184 52.882 53.050 0.026 0.000 0.993 421 N CB 1.420 39.909 38.487 0.003 0.000 1.603 421 N HN 0.384 nan 8.380 nan 0.000 0.526 422 D N 0.545 120.965 120.400 0.033 0.000 2.388 422 D HA 0.261 4.901 4.640 0.001 0.000 0.221 422 D C -0.396 175.913 176.300 0.014 0.000 1.133 422 D CA 0.454 54.474 54.000 0.033 0.000 0.831 422 D CB 0.526 41.356 40.800 0.050 0.000 0.962 422 D HN 0.249 nan 8.370 nan 0.000 0.502 423 S N -0.746 114.953 115.700 -0.000 0.000 2.600 423 S HA 0.742 5.213 4.470 0.001 0.000 0.300 423 S C -0.096 174.492 174.600 -0.021 0.000 1.087 423 S CA -0.714 57.474 58.200 -0.020 0.000 0.965 423 S CB 2.168 65.343 63.200 -0.041 0.000 1.089 423 S HN 0.164 nan 8.310 nan 0.000 0.496 424 S N 0.703 116.384 115.700 -0.031 0.000 2.732 424 S HA 0.800 5.271 4.470 0.001 0.000 0.293 424 S C -1.388 173.193 174.600 -0.031 0.000 1.159 424 S CA -0.849 57.340 58.200 -0.019 0.000 0.847 424 S CB 0.924 64.123 63.200 -0.001 0.000 1.169 424 S HN 0.601 nan 8.310 nan 0.000 0.501 425 L N 0.755 121.982 121.223 0.007 0.000 2.385 425 L HA 0.693 5.034 4.340 0.001 0.000 0.273 425 L C -1.783 175.154 176.870 0.112 0.000 0.990 425 L CA -0.335 54.531 54.840 0.043 0.000 0.821 425 L CB 1.822 43.915 42.059 0.057 0.000 1.279 425 L HN 0.953 nan 8.230 nan 0.000 0.412 426 D N 2.158 122.643 120.400 0.143 0.000 2.857 426 D HA 0.316 4.956 4.640 0.001 0.000 0.227 426 D C -1.556 174.850 176.300 0.176 0.000 1.192 426 D CA -0.319 53.772 54.000 0.152 0.000 0.857 426 D CB 2.168 43.004 40.800 0.059 0.000 1.645 426 D HN 0.246 nan 8.370 nan 0.000 0.482 427 F N 3.448 123.352 119.950 -0.078 0.000 2.391 427 F HA 0.376 4.903 4.527 0.001 0.000 0.359 427 F C 0.046 175.726 175.800 -0.199 0.000 1.122 427 F CA -0.786 56.998 58.000 -0.361 0.000 1.120 427 F CB 0.583 39.169 39.000 -0.689 0.000 1.142 427 F HN 0.199 nan 8.300 nan 0.000 0.483 428 N N 5.785 124.072 118.700 -0.689 0.000 2.406 428 N HA -0.043 4.697 4.740 0.001 0.000 0.265 428 N C 0.998 176.071 175.510 -0.729 0.000 1.203 428 N CA 0.316 53.052 53.050 -0.523 0.000 0.945 428 N CB 0.561 38.831 38.487 -0.362 0.000 1.165 428 N HN 0.726 nan 8.380 nan 0.000 0.485 429 E N 2.028 122.037 120.200 -0.319 0.000 2.153 429 E HA -0.116 4.235 4.350 0.001 0.000 0.194 429 E C 0.966 177.496 176.600 -0.117 0.000 0.988 429 E CA 1.369 57.704 56.400 -0.108 0.000 0.811 429 E CB 0.162 29.881 29.700 0.032 0.000 0.746 429 E HN 0.635 nan 8.360 nan 0.000 0.466 430 T N 0.808 115.279 114.554 -0.139 0.000 2.851 430 T HA -0.041 4.310 4.350 0.001 0.000 0.262 430 T C 1.868 176.498 174.700 -0.117 0.000 1.043 430 T CA 0.929 62.972 62.100 -0.094 0.000 1.140 430 T CB 0.007 68.832 68.868 -0.072 0.000 0.872 430 T HN -0.046 nan 8.240 nan 0.000 0.446 431 K N 0.563 120.853 120.400 -0.184 0.000 2.217 431 K HA 0.225 4.545 4.320 0.001 0.000 0.202 431 K C 1.626 178.119 176.600 -0.178 0.000 1.051 431 K CA 0.806 56.993 56.287 -0.166 0.000 0.952 431 K CB -0.434 31.962 32.500 -0.173 0.000 0.736 431 K HN 0.422 nan 8.250 nan 0.000 0.453 432 G N 0.004 108.617 108.800 -0.313 0.000 2.159 432 G HA2 -0.235 3.726 3.960 0.001 0.000 0.256 432 G HA3 -0.235 3.726 3.960 0.001 0.000 0.256 432 G C 0.037 174.849 174.900 -0.146 0.000 0.977 432 G CA 0.335 45.337 45.100 -0.164 0.000 0.652 432 G HN 0.323 nan 8.290 nan 0.000 0.531 433 V N -3.590 116.091 119.914 -0.389 0.000 3.040 433 V HA 0.835 4.956 4.120 0.001 0.000 0.312 433 V C 0.058 175.993 176.094 -0.264 0.000 1.115 433 V CA -2.458 59.774 62.300 -0.114 0.000 0.998 433 V CB 1.426 33.263 31.823 0.024 0.000 1.042 433 V HN 0.265 nan 8.190 nan 0.000 0.433 434 Y N 0.787 121.160 120.300 0.122 0.000 2.359 434 Y HA 0.508 5.059 4.550 0.001 0.000 0.330 434 Y C 0.771 176.737 175.900 0.110 0.000 1.143 434 Y CA 0.450 58.649 58.100 0.165 0.000 1.318 434 Y CB 0.755 39.376 38.460 0.268 0.000 1.234 434 Y HN 0.697 nan 8.280 nan 0.000 0.522 435 E N 2.953 123.253 120.200 0.166 0.000 2.222 435 E HA 0.250 4.600 4.350 0.001 0.000 0.267 435 E C -1.019 175.545 176.600 -0.060 0.000 0.884 435 E CA -1.303 55.138 56.400 0.068 0.000 0.764 435 E CB 1.700 31.393 29.700 -0.011 0.000 1.169 435 E HN 0.485 nan 8.360 nan 0.000 0.413 436 K N 0.192 120.431 120.400 -0.268 0.000 2.295 436 K HA 0.274 4.595 4.320 0.001 0.000 0.270 436 K C -0.491 175.990 176.600 -0.198 0.000 1.011 436 K CA -0.408 55.611 56.287 -0.447 0.000 0.953 436 K CB 0.679 32.711 32.500 -0.780 0.000 0.956 436 K HN 0.125 nan 8.250 nan 0.000 0.477 437 V N 2.329 122.148 119.914 -0.158 0.000 2.276 437 V HA 0.497 4.618 4.120 0.001 0.000 0.268 437 V C 0.498 176.548 176.094 -0.074 0.000 1.032 437 V CA 0.169 62.420 62.300 -0.083 0.000 0.810 437 V CB -0.291 31.505 31.823 -0.046 0.000 1.060 437 V HN 1.191 nan 8.190 nan 0.000 0.446 438 G N 3.991 112.750 108.800 -0.068 0.000 2.341 438 G HA2 -0.033 3.928 3.960 0.001 0.000 0.196 438 G HA3 -0.033 3.928 3.960 0.001 0.000 0.196 438 G C -0.559 174.308 174.900 -0.056 0.000 1.231 438 G CA -0.343 44.728 45.100 -0.047 0.000 1.155 438 G HN 0.728 nan 8.290 nan 0.000 0.529 439 E N 1.119 121.293 120.200 -0.044 0.000 2.360 439 E HA 0.633 4.984 4.350 0.001 0.000 0.269 439 E C 1.401 177.977 176.600 -0.040 0.000 1.022 439 E CA 1.134 57.510 56.400 -0.040 0.000 0.887 439 E CB 1.071 30.744 29.700 -0.046 0.000 0.990 439 E HN 1.333 nan 8.360 nan 0.000 0.426 440 A N 3.594 126.412 122.820 -0.004 0.000 1.883 440 A HA -0.204 4.117 4.320 0.001 0.000 0.217 440 A C 2.075 179.712 177.584 0.088 0.000 1.186 440 A CA 2.217 54.297 52.037 0.073 0.000 0.624 440 A CB -1.023 18.061 19.000 0.141 0.000 0.822 440 A HN 0.768 nan 8.150 nan 0.000 0.444 441 T N 0.094 114.668 114.554 0.034 0.000 2.653 441 T HA -0.211 4.139 4.350 0.001 0.000 0.268 441 T C 1.769 176.480 174.700 0.018 0.000 1.035 441 T CA 1.894 64.005 62.100 0.019 0.000 1.154 441 T CB -0.324 68.528 68.868 -0.027 0.000 0.862 441 T HN 0.667 nan 8.240 nan 0.000 0.441 442 E N 0.293 120.491 120.200 -0.004 0.000 2.072 442 E HA -0.065 4.286 4.350 0.001 0.000 0.190 442 E C 2.493 179.088 176.600 -0.009 0.000 0.982 442 E CA 1.273 57.669 56.400 -0.008 0.000 0.803 442 E CB -0.175 29.515 29.700 -0.015 0.000 0.755 442 E HN 0.450 nan 8.360 nan 0.000 0.453 443 T N 1.049 115.584 114.554 -0.032 0.000 2.881 443 T HA -0.099 4.252 4.350 0.001 0.000 0.270 443 T C 1.965 176.689 174.700 0.041 0.000 1.068 443 T CA 0.981 63.038 62.100 -0.071 0.000 1.131 443 T CB -0.100 68.594 68.868 -0.289 0.000 0.871 443 T HN 0.185 nan 8.240 nan 0.000 0.479 444 A N 1.136 124.031 122.820 0.126 0.000 1.969 444 A HA 0.070 4.391 4.320 0.001 0.000 0.218 444 A C 2.095 179.710 177.584 0.053 0.000 1.169 444 A CA 0.919 53.044 52.037 0.146 0.000 0.635 444 A CB -0.534 18.541 19.000 0.124 0.000 0.810 444 A HN 0.323 nan 8.150 nan 0.000 0.445 445 L N -0.216 121.021 121.223 0.024 0.000 2.072 445 L HA -0.074 4.267 4.340 0.001 0.000 0.205 445 L C 2.689 179.549 176.870 -0.016 0.000 1.079 445 L CA 2.350 57.187 54.840 -0.006 0.000 0.752 445 L CB -1.506 40.545 42.059 -0.013 0.000 0.906 445 L HN 0.381 nan 8.230 nan 0.000 0.436 446 T N -1.286 113.262 114.554 -0.010 0.000 2.665 446 T HA -0.222 4.129 4.350 0.001 0.000 0.268 446 T C 1.804 176.495 174.700 -0.016 0.000 1.035 446 T CA 2.066 64.156 62.100 -0.016 0.000 1.151 446 T CB -0.528 68.329 68.868 -0.017 0.000 0.862 446 T HN 0.321 nan 8.240 nan 0.000 0.438 447 T N 2.150 116.707 114.554 0.004 0.000 2.821 447 T HA 0.004 4.355 4.350 0.001 0.000 0.267 447 T C 1.902 176.582 174.700 -0.033 0.000 1.046 447 T CA 0.748 62.843 62.100 -0.008 0.000 1.139 447 T CB -0.468 68.425 68.868 0.042 0.000 0.871 447 T HN 0.138 nan 8.240 nan 0.000 0.454 448 L N 2.394 123.600 121.223 -0.029 0.000 2.012 448 L HA -0.090 4.251 4.340 0.001 0.000 0.210 448 L C 2.572 179.402 176.870 -0.067 0.000 1.073 448 L CA 1.715 56.525 54.840 -0.050 0.000 0.748 448 L CB -0.810 41.221 42.059 -0.047 0.000 0.891 448 L HN 0.284 nan 8.230 nan 0.000 0.431 449 V N -3.523 116.352 119.914 -0.066 0.000 2.667 449 V HA -0.088 4.033 4.120 0.001 0.000 0.252 449 V C 2.275 178.328 176.094 -0.069 0.000 1.065 449 V CA 1.397 63.650 62.300 -0.079 0.000 1.083 449 V CB -0.851 30.927 31.823 -0.075 0.000 0.692 449 V HN 0.445 nan 8.190 nan 0.000 0.468 450 E N 1.315 121.481 120.200 -0.056 0.000 2.106 450 E HA -0.139 4.212 4.350 0.001 0.000 0.192 450 E C 2.181 178.745 176.600 -0.061 0.000 0.984 450 E CA 1.459 57.828 56.400 -0.052 0.000 0.806 450 E CB -0.230 29.437 29.700 -0.055 0.000 0.750 450 E HN 0.698 nan 8.360 nan 0.000 0.458 451 K N 0.032 120.391 120.400 -0.068 0.000 2.103 451 K HA 0.042 4.362 4.320 0.001 0.000 0.204 451 K C 2.291 178.846 176.600 -0.075 0.000 1.052 451 K CA 0.831 57.077 56.287 -0.068 0.000 0.945 451 K CB -0.062 32.398 32.500 -0.067 0.000 0.722 451 K HN 0.078 nan 8.250 nan 0.000 0.443 452 M N 0.503 120.048 119.600 -0.092 0.000 2.077 452 M HA -0.109 4.371 4.480 0.001 0.000 0.261 452 M C 0.383 176.614 176.300 -0.116 0.000 1.070 452 M CA 0.640 55.869 55.300 -0.119 0.000 1.125 452 M CB -0.362 32.148 32.600 -0.150 0.000 1.339 452 M HN 0.107 nan 8.290 nan 0.000 0.409 453 N N 0.758 119.394 118.700 -0.107 0.000 2.614 453 N HA -0.121 4.620 4.740 0.001 0.000 0.276 453 N C 0.286 175.708 175.510 -0.147 0.000 1.119 453 N CA 0.542 53.538 53.050 -0.090 0.000 0.742 453 N CB -0.467 37.990 38.487 -0.051 0.000 0.900 453 N HN 0.331 nan 8.380 nan 0.000 0.549 454 V N -1.793 117.954 119.914 -0.279 0.000 3.041 454 V HA 0.097 4.217 4.120 0.001 0.000 0.260 454 V C 1.310 177.034 176.094 -0.617 0.000 1.105 454 V CA 1.338 63.341 62.300 -0.494 0.000 1.125 454 V CB -0.600 30.805 31.823 -0.697 0.000 0.730 454 V HN 0.286 nan 8.190 nan 0.000 0.479 455 F N 0.800 120.729 119.950 -0.034 0.000 2.683 455 F HA 0.498 5.026 4.527 0.001 0.000 0.306 455 F C 0.931 176.715 175.800 -0.026 0.000 1.102 455 F CA -1.172 56.810 58.000 -0.029 0.000 1.244 455 F CB -0.820 38.163 39.000 -0.029 0.000 1.029 455 F HN 0.159 nan 8.300 nan 0.000 0.545 456 N N 1.458 120.202 118.700 0.073 0.000 2.714 456 N HA -0.152 4.589 4.740 0.001 0.000 0.253 456 N C -0.450 175.090 175.510 0.051 0.000 1.024 456 N CA 0.891 53.965 53.050 0.040 0.000 0.726 456 N CB -1.200 37.303 38.487 0.027 0.000 0.908 456 N HN 0.190 nan 8.380 nan 0.000 0.542 457 T N 0.486 115.075 114.554 0.058 0.000 2.907 457 T HA 0.109 4.460 4.350 0.001 0.000 0.298 457 T C 0.632 175.345 174.700 0.022 0.000 1.017 457 T CA -0.457 61.669 62.100 0.044 0.000 1.118 457 T CB 1.580 70.479 68.868 0.052 0.000 0.948 457 T HN -0.004 nan 8.240 nan 0.000 0.531 458 E N 2.619 122.828 120.200 0.015 0.000 2.159 458 E HA 0.085 4.435 4.350 0.001 0.000 0.272 458 E C 1.153 177.756 176.600 0.005 0.000 1.138 458 E CA -0.021 56.383 56.400 0.007 0.000 0.915 458 E CB 0.621 30.324 29.700 0.005 0.000 1.028 458 E HN 0.590 nan 8.360 nan 0.000 0.423 459 V N 1.915 121.830 119.914 0.001 0.000 3.565 459 V HA -0.003 4.118 4.120 0.001 0.000 0.260 459 V C 1.864 177.955 176.094 -0.005 0.000 1.231 459 V CA 0.332 62.632 62.300 -0.001 0.000 1.100 459 V CB -0.272 31.547 31.823 -0.005 0.000 0.807 459 V HN 0.476 nan 8.190 nan 0.000 0.454 460 R N 1.397 121.894 120.500 -0.006 0.000 2.235 460 R HA 0.009 4.350 4.340 0.001 0.000 0.213 460 R C 1.451 177.746 176.300 -0.008 0.000 1.059 460 R CA 1.802 57.897 56.100 -0.008 0.000 0.997 460 R CB -0.987 29.309 30.300 -0.007 0.000 0.884 460 R HN 0.616 nan 8.270 nan 0.000 0.462 461 N N 0.523 119.220 118.700 -0.005 0.000 2.409 461 N HA 0.062 4.802 4.740 0.001 0.000 0.179 461 N C 0.136 175.642 175.510 -0.007 0.000 1.032 461 N CA 0.258 53.304 53.050 -0.005 0.000 0.898 461 N CB 0.095 38.580 38.487 -0.003 0.000 0.971 461 N HN 0.098 nan 8.380 nan 0.000 0.441 462 L N 0.124 121.343 121.223 -0.007 0.000 2.387 462 L HA 0.333 4.674 4.340 0.001 0.000 0.266 462 L C 0.786 177.645 176.870 -0.017 0.000 1.059 462 L CA -0.882 53.953 54.840 -0.007 0.000 0.801 462 L CB 1.337 43.396 42.059 0.001 0.000 1.223 462 L HN 0.054 nan 8.230 nan 0.000 0.456 463 S N 0.013 115.698 115.700 -0.025 0.000 2.652 463 S HA 0.248 4.719 4.470 0.001 0.000 0.267 463 S C 0.815 175.371 174.600 -0.073 0.000 1.201 463 S CA -0.543 57.624 58.200 -0.055 0.000 0.996 463 S CB 1.026 64.192 63.200 -0.056 0.000 1.054 463 S HN 0.491 nan 8.310 nan 0.000 0.561 464 K N 0.072 120.363 120.400 -0.181 0.000 2.026 464 K HA 0.021 4.342 4.320 0.001 0.000 0.208 464 K C 1.927 178.454 176.600 -0.123 0.000 1.048 464 K CA 1.614 57.719 56.287 -0.303 0.000 0.929 464 K CB -1.083 30.805 32.500 -1.020 0.000 0.713 464 K HN 0.457 nan 8.250 nan 0.000 0.439 465 V N 0.952 120.819 119.914 -0.079 0.000 2.667 465 V HA -0.152 3.969 4.120 0.001 0.000 0.252 465 V C 1.793 177.929 176.094 0.071 0.000 1.065 465 V CA 1.555 63.894 62.300 0.064 0.000 1.083 465 V CB -0.369 31.503 31.823 0.082 0.000 0.692 465 V HN 0.325 nan 8.190 nan 0.000 0.468 466 E N 0.773 120.994 120.200 0.035 0.000 2.086 466 E HA -0.159 4.192 4.350 0.001 0.000 0.190 466 E C 2.295 178.920 176.600 0.042 0.000 0.975 466 E CA 0.998 57.418 56.400 0.033 0.000 0.813 466 E CB -0.076 29.632 29.700 0.014 0.000 0.768 466 E HN 0.657 nan 8.360 nan 0.000 0.457 467 R N 0.797 121.324 120.500 0.046 0.000 2.299 467 R HA 0.191 4.532 4.340 0.001 0.000 0.197 467 R C 1.923 178.260 176.300 0.062 0.000 0.971 467 R CA 0.894 57.019 56.100 0.041 0.000 1.030 467 R CB -0.089 30.224 30.300 0.023 0.000 0.932 467 R HN 0.002 nan 8.270 nan 0.000 0.477 468 A N 1.339 124.234 122.820 0.126 0.000 2.024 468 A HA -0.108 4.212 4.320 0.001 0.000 0.220 468 A C 0.976 178.608 177.584 0.080 0.000 1.164 468 A CA 1.364 53.500 52.037 0.165 0.000 0.643 468 A CB -0.266 18.919 19.000 0.308 0.000 0.806 468 A HN 0.506 nan 8.150 nan 0.000 0.451 469 N N -1.611 117.125 118.700 0.060 0.000 2.451 469 N HA 0.356 5.097 4.740 0.001 0.000 0.271 469 N C 0.905 176.430 175.510 0.025 0.000 1.410 469 N CA 0.670 53.741 53.050 0.036 0.000 0.884 469 N CB 0.840 39.349 38.487 0.038 0.000 1.332 469 N HN 0.359 nan 8.380 nan 0.000 0.498 470 A N -0.012 122.822 122.820 0.022 0.000 1.854 470 A HA -0.063 4.258 4.320 0.001 0.000 0.214 470 A C 2.231 179.828 177.584 0.022 0.000 1.192 470 A CA 1.112 53.161 52.037 0.020 0.000 0.611 470 A CB -0.575 18.435 19.000 0.016 0.000 0.832 470 A HN 0.415 nan 8.150 nan 0.000 0.442 471 C N -0.030 119.280 119.300 0.016 0.000 2.450 471 C HA -0.033 4.428 4.460 0.001 0.000 0.279 471 C C 2.631 177.638 174.990 0.029 0.000 1.335 471 C CA 0.747 59.780 59.018 0.025 0.000 1.749 471 C CB -1.482 26.257 27.740 -0.001 0.000 1.963 471 C HN 0.596 nan 8.230 nan 0.000 0.501 472 N N 1.243 119.950 118.700 0.012 0.000 2.120 472 N HA -0.106 4.635 4.740 0.001 0.000 0.188 472 N C 1.868 177.387 175.510 0.015 0.000 1.024 472 N CA 1.460 54.514 53.050 0.007 0.000 0.852 472 N CB -0.306 38.181 38.487 0.001 0.000 1.003 472 N HN 0.443 nan 8.380 nan 0.000 0.424 473 S N 0.667 116.378 115.700 0.018 0.000 2.382 473 S HA -0.057 4.414 4.470 0.001 0.000 0.228 473 S C 2.284 176.892 174.600 0.014 0.000 1.027 473 S CA 0.608 58.817 58.200 0.015 0.000 0.991 473 S CB -0.197 63.012 63.200 0.015 0.000 0.823 473 S HN 0.102 nan 8.310 nan 0.000 0.469 474 V N 1.996 121.927 119.914 0.029 0.000 2.343 474 V HA -0.178 3.942 4.120 0.001 0.000 0.247 474 V C 2.021 178.128 176.094 0.021 0.000 1.051 474 V CA 1.616 63.932 62.300 0.027 0.000 1.036 474 V CB -0.660 31.216 31.823 0.089 0.000 0.654 474 V HN 0.462 nan 8.190 nan 0.000 0.451 475 I N -0.518 120.090 120.570 0.063 0.000 2.353 475 I HA -0.176 3.994 4.170 0.001 0.000 0.248 475 I C 2.694 178.816 176.117 0.009 0.000 1.119 475 I CA 1.275 62.610 61.300 0.059 0.000 1.417 475 I CB -0.388 37.642 38.000 0.051 0.000 1.078 475 I HN 0.185 nan 8.210 nan 0.000 0.421 476 R N 0.432 120.935 120.500 0.005 0.000 2.120 476 R HA -0.148 4.192 4.340 0.001 0.000 0.234 476 R C 2.066 178.366 176.300 0.001 0.000 1.123 476 R CA 0.915 57.017 56.100 0.004 0.000 0.975 476 R CB -0.201 30.103 30.300 0.007 0.000 0.866 476 R HN 0.375 nan 8.270 nan 0.000 0.446 477 Q N 0.142 119.935 119.800 -0.010 0.000 2.435 477 Q HA -0.045 4.295 4.340 0.001 0.000 0.207 477 Q C 1.760 177.740 176.000 -0.032 0.000 0.956 477 Q CA 0.724 56.514 55.803 -0.021 0.000 0.917 477 Q CB 0.189 28.907 28.738 -0.032 0.000 0.997 477 Q HN 0.250 nan 8.270 nan 0.000 0.497 478 L N -0.924 120.279 121.223 -0.034 0.000 2.202 478 L HA 0.119 4.459 4.340 0.001 0.000 0.205 478 L C 0.429 177.300 176.870 0.001 0.000 1.083 478 L CA 0.978 55.794 54.840 -0.040 0.000 0.790 478 L CB 0.395 42.419 42.059 -0.058 0.000 0.942 478 L HN 0.025 nan 8.230 nan 0.000 0.452 479 M N 0.034 119.650 119.600 0.026 0.000 2.465 479 M HA 0.295 4.776 4.480 0.001 0.000 0.316 479 M C -0.687 175.641 176.300 0.046 0.000 1.121 479 M CA -0.383 54.951 55.300 0.058 0.000 0.934 479 M CB 1.765 34.448 32.600 0.138 0.000 1.692 479 M HN -0.125 nan 8.290 nan 0.000 0.444 480 K N 2.292 122.716 120.400 0.040 0.000 2.248 480 K HA 0.222 4.543 4.320 0.001 0.000 0.281 480 K C -0.301 176.323 176.600 0.041 0.000 1.054 480 K CA -0.302 56.007 56.287 0.037 0.000 0.903 480 K CB 0.968 33.487 32.500 0.033 0.000 1.077 480 K HN 0.557 nan 8.250 nan 0.000 0.474 481 K N 4.951 125.376 120.400 0.042 0.000 2.278 481 K HA 0.001 4.322 4.320 0.001 0.000 0.289 481 K C 0.455 177.075 176.600 0.033 0.000 1.080 481 K CA -0.122 56.185 56.287 0.032 0.000 0.934 481 K CB 0.591 33.115 32.500 0.042 0.000 1.093 481 K HN 0.607 nan 8.250 nan 0.000 0.459 482 E N 3.458 123.663 120.200 0.008 0.000 2.015 482 E HA -0.092 4.259 4.350 0.001 0.000 0.191 482 E C 0.441 177.130 176.600 0.149 0.000 0.991 482 E CA 1.271 57.707 56.400 0.060 0.000 0.802 482 E CB -0.103 29.632 29.700 0.058 0.000 0.759 482 E HN 0.561 nan 8.360 nan 0.000 0.447 483 F N -1.989 117.991 119.950 0.050 0.000 2.779 483 F HA 0.568 5.096 4.527 0.001 0.000 0.316 483 F C -0.659 175.165 175.800 0.040 0.000 1.164 483 F CA -1.273 56.738 58.000 0.019 0.000 0.924 483 F CB 1.732 40.705 39.000 -0.045 0.000 1.348 483 F HN -0.292 nan 8.300 nan 0.000 0.467 484 T N 1.544 116.279 114.554 0.302 0.000 2.848 484 T HA 0.633 4.984 4.350 0.001 0.000 0.285 484 T C -1.437 173.378 174.700 0.191 0.000 0.995 484 T CA -0.638 61.571 62.100 0.182 0.000 0.970 484 T CB 1.013 69.964 68.868 0.139 0.000 0.976 484 T HN 0.773 nan 8.240 nan 0.000 0.441 485 L N 4.654 125.922 121.223 0.075 0.000 2.270 485 L HA 0.423 4.764 4.340 0.001 0.000 0.286 485 L C 0.218 177.187 176.870 0.165 0.000 1.059 485 L CA -1.007 53.765 54.840 -0.114 0.000 0.839 485 L CB 0.585 42.385 42.059 -0.432 0.000 1.221 485 L HN 0.683 nan 8.230 nan 0.000 0.431 486 E N 2.003 122.401 120.200 0.330 0.000 2.436 486 E HA -0.012 4.338 4.350 0.001 0.000 0.262 486 E C -0.330 176.480 176.600 0.350 0.000 1.063 486 E CA -0.224 56.379 56.400 0.339 0.000 0.944 486 E CB 0.331 30.243 29.700 0.353 0.000 0.950 486 E HN 0.274 nan 8.360 nan 0.000 0.444 487 F N 1.722 121.781 119.950 0.182 0.000 2.607 487 F HA 0.071 4.599 4.527 0.001 0.000 0.374 487 F C 0.364 176.258 175.800 0.157 0.000 1.104 487 F CA 0.682 58.775 58.000 0.154 0.000 1.296 487 F CB 0.514 39.582 39.000 0.113 0.000 1.085 487 F HN 0.270 nan 8.300 nan 0.000 0.584 488 S N 5.439 120.754 115.700 -0.641 0.000 2.536 488 S HA 0.424 4.894 4.470 0.001 0.000 0.287 488 S C 0.672 174.866 174.600 -0.677 0.000 1.101 488 S CA -0.882 57.083 58.200 -0.392 0.000 0.950 488 S CB 1.600 64.706 63.200 -0.157 0.000 1.056 488 S HN 0.841 nan 8.310 nan 0.000 0.481 489 R N 1.193 121.574 120.500 -0.197 0.000 2.148 489 R HA -0.065 4.276 4.340 0.001 0.000 0.227 489 R C 1.270 177.530 176.300 -0.067 0.000 1.103 489 R CA 2.010 58.091 56.100 -0.032 0.000 0.983 489 R CB -0.218 30.157 30.300 0.126 0.000 0.874 489 R HN 0.799 nan 8.270 nan 0.000 0.451 490 D N 0.490 120.837 120.400 -0.088 0.000 2.084 490 D HA -0.218 4.422 4.640 0.001 0.000 0.196 490 D C 1.719 177.973 176.300 -0.076 0.000 0.985 490 D CA 1.290 55.255 54.000 -0.059 0.000 0.826 490 D CB -0.472 40.299 40.800 -0.049 0.000 0.978 490 D HN 0.282 nan 8.370 nan 0.000 0.456 491 R N 0.360 120.784 120.500 -0.126 0.000 2.246 491 R HA 0.116 4.456 4.340 0.001 0.000 0.199 491 R C 0.352 176.578 176.300 -0.124 0.000 0.984 491 R CA 0.117 56.158 56.100 -0.097 0.000 1.015 491 R CB -0.401 29.859 30.300 -0.066 0.000 0.930 491 R HN -0.037 nan 8.270 nan 0.000 0.475 492 K N 1.384 121.617 120.400 -0.279 0.000 3.035 492 K HA -0.184 4.137 4.320 0.001 0.000 0.262 492 K C -0.804 175.757 176.600 -0.064 0.000 1.024 492 K CA 0.860 57.008 56.287 -0.231 0.000 0.748 492 K CB -1.504 31.036 32.500 0.068 0.000 1.247 492 K HN 0.682 nan 8.250 nan 0.000 0.482 493 S N -0.899 114.669 115.700 -0.219 0.000 2.638 493 S HA 0.824 5.294 4.470 0.001 0.000 0.274 493 S C -0.551 174.111 174.600 0.105 0.000 1.157 493 S CA -1.096 57.146 58.200 0.071 0.000 0.826 493 S CB 2.438 65.686 63.200 0.080 0.000 1.139 493 S HN 0.366 nan 8.310 nan 0.000 0.474 494 M N 0.083 119.815 119.600 0.221 0.000 2.618 494 M HA 0.884 5.365 4.480 0.001 0.000 0.281 494 M C -1.110 175.281 176.300 0.151 0.000 1.267 494 M CA -0.577 54.846 55.300 0.206 0.000 0.845 494 M CB 2.235 35.006 32.600 0.284 0.000 1.732 494 M HN 0.985 nan 8.290 nan 0.000 0.461 495 S N 0.469 116.241 115.700 0.120 0.000 2.579 495 S HA 0.894 5.365 4.470 0.001 0.000 0.272 495 S C -0.844 173.792 174.600 0.060 0.000 1.141 495 S CA -0.516 57.736 58.200 0.087 0.000 0.843 495 S CB 1.727 64.965 63.200 0.063 0.000 1.122 495 S HN 1.481 nan 8.310 nan 0.000 0.468 496 V N -0.580 119.358 119.914 0.040 0.000 2.680 496 V HA 0.726 4.847 4.120 0.001 0.000 0.309 496 V C -1.300 174.699 176.094 -0.159 0.000 1.052 496 V CA -0.948 61.339 62.300 -0.022 0.000 0.908 496 V CB 1.206 33.064 31.823 0.058 0.000 1.001 496 V HN 0.976 nan 8.190 nan 0.000 0.431 497 Y N 3.009 122.980 120.300 -0.548 0.000 2.335 497 Y HA 0.715 5.266 4.550 0.001 0.000 0.339 497 Y C -0.110 175.507 175.900 -0.471 0.000 0.987 497 Y CA -0.491 57.193 58.100 -0.693 0.000 1.140 497 Y CB 1.029 38.611 38.460 -1.463 0.000 1.173 497 Y HN 0.974 nan 8.280 nan 0.000 0.486 498 C N 4.042 123.084 119.300 -0.428 0.000 2.563 498 C HA 0.749 5.209 4.460 0.001 0.000 0.314 498 C C -0.555 174.313 174.990 -0.203 0.000 1.199 498 C CA -0.912 57.997 59.018 -0.181 0.000 1.564 498 C CB 0.932 28.669 27.740 -0.005 0.000 2.173 498 C HN 0.891 nan 8.230 nan 0.000 0.485 499 S N 2.223 117.897 115.700 -0.043 0.000 2.532 499 S HA 0.734 5.205 4.470 0.001 0.000 0.301 499 S C -3.070 171.529 174.600 -0.002 0.000 1.083 499 S CA -1.279 56.907 58.200 -0.023 0.000 1.025 499 S CB 1.459 64.684 63.200 0.042 0.000 1.056 499 S HN 0.599 nan 8.310 nan 0.000 0.494 500 P HA 0.163 nan 4.420 nan 0.000 0.265 500 P C 0.464 177.768 177.300 0.006 0.000 1.193 500 P CA -0.111 62.991 63.100 0.003 0.000 0.765 500 P CB 0.664 32.361 31.700 -0.005 0.000 0.823 501 A N 3.623 126.446 122.820 0.005 0.000 2.016 501 A HA -0.130 4.191 4.320 0.001 0.000 0.217 501 A C 2.098 179.679 177.584 -0.005 0.000 1.162 501 A CA 1.402 53.440 52.037 0.001 0.000 0.662 501 A CB -0.676 18.322 19.000 -0.003 0.000 0.812 501 A HN 0.462 nan 8.150 nan 0.000 0.450 502 K N 0.836 121.230 120.400 -0.011 0.000 2.097 502 K HA 0.024 4.345 4.320 0.001 0.000 0.205 502 K C 0.641 177.236 176.600 -0.009 0.000 1.050 502 K CA 1.340 57.619 56.287 -0.014 0.000 0.938 502 K CB -0.317 32.171 32.500 -0.020 0.000 0.718 502 K HN 0.362 nan 8.250 nan 0.000 0.442 503 S N -0.104 115.593 115.700 -0.005 0.000 2.652 503 S HA 0.233 4.704 4.470 0.001 0.000 0.270 503 S C 0.519 175.120 174.600 0.002 0.000 1.243 503 S CA -0.426 57.772 58.200 -0.002 0.000 0.999 503 S CB 1.551 64.749 63.200 -0.002 0.000 0.973 503 S HN 0.527 nan 8.310 nan 0.000 0.544 504 S N 1.389 117.090 115.700 0.003 0.000 3.464 504 S HA 0.296 4.767 4.470 0.001 0.000 0.176 504 S C 0.081 174.686 174.600 0.009 0.000 0.824 504 S CA -0.649 57.554 58.200 0.005 0.000 1.290 504 S CB -0.205 62.998 63.200 0.004 0.000 0.644 504 S HN 0.484 nan 8.310 nan 0.000 0.659 505 R N 2.591 123.095 120.500 0.008 0.000 4.138 505 R HA 0.617 4.958 4.340 0.001 0.000 0.206 505 R C 0.024 176.329 176.300 0.008 0.000 1.667 505 R CA -0.005 56.100 56.100 0.009 0.000 1.481 505 R CB -1.197 29.108 30.300 0.008 0.000 1.388 505 R HN 0.596 nan 8.270 nan 0.000 0.776 506 A N 0.211 123.036 122.820 0.009 0.000 2.264 506 A HA 0.666 4.986 4.320 0.001 0.000 0.304 506 A C 0.975 178.565 177.584 0.010 0.000 1.100 506 A CA 0.017 52.058 52.037 0.007 0.000 0.839 506 A CB 0.898 19.900 19.000 0.003 0.000 1.121 506 A HN 0.480 nan 8.150 nan 0.000 0.496 507 A N 0.147 122.971 122.820 0.007 0.000 1.956 507 A HA 0.474 4.794 4.320 0.001 0.000 0.212 507 A C 0.657 178.245 177.584 0.008 0.000 1.188 507 A CA 1.179 53.221 52.037 0.010 0.000 0.675 507 A CB -0.262 18.743 19.000 0.007 0.000 0.845 507 A HN 0.857 nan 8.150 nan 0.000 0.455 508 V N -2.977 116.936 119.914 -0.002 0.000 3.113 508 V HA 0.765 4.886 4.120 0.001 0.000 0.316 508 V C 1.089 177.169 176.094 -0.024 0.000 1.125 508 V CA 0.030 62.321 62.300 -0.014 0.000 1.026 508 V CB 1.122 32.935 31.823 -0.018 0.000 1.080 508 V HN 0.944 nan 8.190 nan 0.000 0.444 509 G N 1.245 110.017 108.800 -0.046 0.000 2.480 509 G HA2 -0.166 3.795 3.960 0.001 0.000 0.193 509 G HA3 -0.166 3.795 3.960 0.001 0.000 0.193 509 G C 0.040 174.877 174.900 -0.105 0.000 1.004 509 G CA -0.112 44.954 45.100 -0.057 0.000 0.696 509 G HN 0.668 nan 8.290 nan 0.000 0.478 510 N N 1.456 120.073 118.700 -0.137 0.000 2.479 510 N HA 0.469 5.209 4.740 0.001 0.000 0.257 510 N C -0.462 174.795 175.510 -0.421 0.000 1.232 510 N CA 0.282 53.166 53.050 -0.276 0.000 0.920 510 N CB 0.502 38.826 38.487 -0.272 0.000 1.105 510 N HN 0.043 nan 8.380 nan 0.000 0.444 511 K N 1.841 121.866 120.400 -0.624 0.000 2.426 511 K HA 0.414 4.735 4.320 0.001 0.000 0.251 511 K C -0.871 175.133 176.600 -0.992 0.000 0.941 511 K CA -0.469 55.355 56.287 -0.773 0.000 0.808 511 K CB 2.225 34.166 32.500 -0.932 0.000 1.265 511 K HN 0.474 nan 8.250 nan 0.000 0.432 512 M N 2.243 121.375 119.600 -0.780 0.000 2.205 512 M HA 0.395 4.875 4.480 0.001 0.000 0.344 512 M C -0.974 175.009 176.300 -0.528 0.000 1.085 512 M CA -0.652 54.297 55.300 -0.586 0.000 1.001 512 M CB 0.601 33.030 32.600 -0.285 0.000 1.626 512 M HN 0.301 nan 8.290 nan 0.000 0.442 513 F N 2.803 122.688 119.950 -0.108 0.000 2.415 513 F HA 0.592 5.119 4.527 0.001 0.000 0.348 513 F C -0.135 175.646 175.800 -0.033 0.000 1.119 513 F CA -0.909 57.051 58.000 -0.067 0.000 1.069 513 F CB 1.034 39.994 39.000 -0.067 0.000 1.124 513 F HN 0.145 nan 8.300 nan 0.000 0.472 514 V N 3.462 123.473 119.914 0.162 0.000 2.735 514 V HA 0.590 4.711 4.120 0.001 0.000 0.310 514 V C -0.551 175.600 176.094 0.094 0.000 1.061 514 V CA -1.179 61.187 62.300 0.109 0.000 0.913 514 V CB 2.132 34.006 31.823 0.085 0.000 1.005 514 V HN 0.704 nan 8.190 nan 0.000 0.428 515 K N 2.061 122.525 120.400 0.107 0.000 2.498 515 K HA 0.815 5.136 4.320 0.001 0.000 0.254 515 K C -0.475 176.217 176.600 0.152 0.000 0.933 515 K CA 0.000 56.347 56.287 0.101 0.000 0.806 515 K CB 2.441 34.993 32.500 0.088 0.000 1.301 515 K HN 1.079 nan 8.250 nan 0.000 0.432 516 G N 1.005 109.895 108.800 0.149 0.000 2.321 516 G HA2 0.454 4.415 3.960 0.001 0.000 0.296 516 G HA3 0.454 4.415 3.960 0.001 0.000 0.296 516 G C -1.526 173.480 174.900 0.178 0.000 1.287 516 G CA -0.421 44.806 45.100 0.213 0.000 0.846 516 G HN 0.695 nan 8.290 nan 0.000 0.508 517 A N 0.353 123.297 122.820 0.207 0.000 2.540 517 A HA 0.545 4.865 4.320 0.001 0.000 0.239 517 A C -0.789 176.875 177.584 0.133 0.000 1.061 517 A CA 0.247 52.381 52.037 0.162 0.000 0.758 517 A CB 0.077 19.177 19.000 0.167 0.000 0.991 517 A HN 0.352 nan 8.150 nan 0.000 0.502 518 P HA -0.157 nan 4.420 nan 0.000 0.215 518 P C 1.370 178.735 177.300 0.108 0.000 1.153 518 P CA 1.415 64.592 63.100 0.129 0.000 0.853 518 P CB 0.252 32.028 31.700 0.126 0.000 0.788 519 E N 0.088 120.339 120.200 0.086 0.000 2.019 519 E HA -0.189 4.161 4.350 0.001 0.000 0.208 519 E C 2.255 178.890 176.600 0.059 0.000 1.030 519 E CA 2.279 58.717 56.400 0.062 0.000 0.856 519 E CB -1.450 28.282 29.700 0.055 0.000 0.781 519 E HN 0.117 nan 8.360 nan 0.000 0.471 520 G N -0.194 108.643 108.800 0.061 0.000 2.442 520 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 520 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 520 G C 1.756 176.694 174.900 0.064 0.000 1.141 520 G CA 1.134 46.265 45.100 0.051 0.000 0.763 520 G HN 0.266 nan 8.290 nan 0.000 0.554 521 V N 1.011 120.978 119.914 0.088 0.000 2.295 521 V HA -0.145 3.976 4.120 0.001 0.000 0.246 521 V C 2.769 178.938 176.094 0.124 0.000 1.049 521 V CA 1.593 63.957 62.300 0.108 0.000 1.024 521 V CB -0.370 31.529 31.823 0.127 0.000 0.648 521 V HN 0.389 nan 8.190 nan 0.000 0.447 522 I N 0.060 120.707 120.570 0.129 0.000 2.252 522 I HA -0.215 3.955 4.170 0.001 0.000 0.245 522 I C 2.218 178.368 176.117 0.056 0.000 1.102 522 I CA 1.465 62.834 61.300 0.116 0.000 1.385 522 I CB -0.450 37.590 38.000 0.067 0.000 1.064 522 I HN 0.307 nan 8.210 nan 0.000 0.414 523 D N 0.792 121.216 120.400 0.039 0.000 2.218 523 D HA -0.153 4.488 4.640 0.001 0.000 0.204 523 D C 2.027 178.337 176.300 0.017 0.000 0.976 523 D CA 1.124 55.134 54.000 0.016 0.000 0.853 523 D CB -0.154 40.654 40.800 0.013 0.000 0.939 523 D HN 0.255 nan 8.370 nan 0.000 0.481 524 R N -0.740 119.783 120.500 0.037 0.000 2.334 524 R HA 0.179 4.520 4.340 0.001 0.000 0.220 524 R C -0.003 176.324 176.300 0.046 0.000 0.917 524 R CA -0.154 55.968 56.100 0.037 0.000 1.073 524 R CB 0.259 30.588 30.300 0.048 0.000 1.056 524 R HN 0.029 nan 8.270 nan 0.000 0.506 525 C N 1.260 120.594 119.300 0.056 0.000 2.415 525 C HA 0.237 4.698 4.460 0.001 0.000 0.369 525 C C 1.078 176.053 174.990 -0.025 0.000 1.279 525 C CA -0.757 58.303 59.018 0.070 0.000 1.886 525 C CB 0.541 28.373 27.740 0.153 0.000 2.468 525 C HN 0.495 nan 8.230 nan 0.000 0.553 526 N N 0.717 119.344 118.700 -0.121 0.000 2.282 526 N HA 0.136 4.876 4.740 0.001 0.000 0.185 526 N C -0.649 174.528 175.510 -0.556 0.000 1.099 526 N CA 0.564 53.375 53.050 -0.397 0.000 0.878 526 N CB 0.308 38.428 38.487 -0.613 0.000 0.993 526 N HN 0.685 nan 8.380 nan 0.000 0.481 527 Y N -0.905 119.437 120.300 0.071 0.000 2.570 527 Y HA 0.580 5.130 4.550 0.001 0.000 0.345 527 Y C -0.149 175.826 175.900 0.125 0.000 1.014 527 Y CA -1.017 57.130 58.100 0.078 0.000 1.063 527 Y CB 1.672 40.172 38.460 0.066 0.000 1.272 527 Y HN -0.432 nan 8.280 nan 0.000 0.477 528 V N 2.121 122.219 119.914 0.305 0.000 2.531 528 V HA 0.468 4.589 4.120 0.001 0.000 0.301 528 V C -0.580 175.653 176.094 0.232 0.000 1.034 528 V CA -1.053 61.415 62.300 0.280 0.000 0.865 528 V CB 1.818 33.764 31.823 0.205 0.000 0.995 528 V HN 0.649 nan 8.190 nan 0.000 0.424 529 R N 3.461 124.096 120.500 0.225 0.000 2.340 529 R HA 0.596 4.937 4.340 0.001 0.000 0.300 529 R C -1.130 175.266 176.300 0.160 0.000 1.069 529 R CA -0.094 56.097 56.100 0.153 0.000 0.984 529 R CB 1.135 31.500 30.300 0.109 0.000 1.003 529 R HN 0.514 nan 8.270 nan 0.000 0.459 530 V N 6.120 126.111 119.914 0.129 0.000 2.327 530 V HA 0.430 4.551 4.120 0.001 0.000 0.272 530 V C 0.949 177.110 176.094 0.111 0.000 1.019 530 V CA 0.217 62.593 62.300 0.128 0.000 0.814 530 V CB 0.355 32.247 31.823 0.115 0.000 1.040 530 V HN 1.151 nan 8.190 nan 0.000 0.440 531 G N 4.992 113.866 108.800 0.123 0.000 2.557 531 G HA2 -0.363 3.598 3.960 0.001 0.000 0.292 531 G HA3 -0.363 3.598 3.960 0.001 0.000 0.292 531 G C 1.058 176.008 174.900 0.084 0.000 1.162 531 G CA 1.120 46.286 45.100 0.111 0.000 0.964 531 G HN 1.220 nan 8.290 nan 0.000 0.541 532 T N -0.853 113.741 114.554 0.067 0.000 3.044 532 T HA 0.419 4.769 4.350 0.001 0.000 0.250 532 T C 1.450 176.175 174.700 0.042 0.000 1.081 532 T CA 1.742 63.872 62.100 0.051 0.000 1.040 532 T CB -0.295 68.598 68.868 0.042 0.000 0.962 532 T HN 1.731 nan 8.240 nan 0.000 0.506 533 T N 0.053 114.636 114.554 0.048 0.000 2.810 533 T HA 0.523 4.873 4.350 0.001 0.000 0.277 533 T C -0.222 174.504 174.700 0.044 0.000 0.973 533 T CA -1.004 61.120 62.100 0.039 0.000 0.949 533 T CB 1.452 70.347 68.868 0.045 0.000 1.075 533 T HN 0.381 nan 8.240 nan 0.000 0.537 534 R N 0.289 120.808 120.500 0.032 0.000 2.533 534 R HA 0.570 4.911 4.340 0.001 0.000 0.288 534 R C -1.484 174.859 176.300 0.072 0.000 1.039 534 R CA -0.744 55.380 56.100 0.039 0.000 0.909 534 R CB 1.970 32.237 30.300 -0.055 0.000 1.195 534 R HN 0.792 nan 8.270 nan 0.000 0.438 535 V N 0.951 120.946 119.914 0.135 0.000 2.960 535 V HA 0.737 4.858 4.120 0.001 0.000 0.315 535 V C -2.574 173.665 176.094 0.241 0.000 1.087 535 V CA -2.551 59.840 62.300 0.152 0.000 0.982 535 V CB 1.759 33.648 31.823 0.109 0.000 1.039 535 V HN 0.658 nan 8.190 nan 0.000 0.437 536 P HA 0.224 nan 4.420 nan 0.000 0.271 536 P C -0.489 176.844 177.300 0.056 0.000 1.216 536 P CA -0.315 62.872 63.100 0.146 0.000 0.776 536 P CB 0.722 32.466 31.700 0.074 0.000 0.881 537 M N 3.135 122.728 119.600 -0.013 0.000 2.246 537 M HA 0.167 4.647 4.480 0.001 0.000 0.350 537 M C -0.683 175.590 176.300 -0.045 0.000 1.406 537 M CA 1.448 56.731 55.300 -0.028 0.000 1.089 537 M CB -0.501 32.067 32.600 -0.053 0.000 1.782 537 M HN 0.293 nan 8.290 nan 0.000 0.457 538 T N 3.634 118.164 114.554 -0.041 0.000 2.901 538 T HA 0.565 4.916 4.350 0.001 0.000 0.293 538 T C 1.098 175.763 174.700 -0.058 0.000 1.084 538 T CA -0.431 61.642 62.100 -0.046 0.000 1.008 538 T CB 1.515 70.362 68.868 -0.035 0.000 1.170 538 T HN 0.764 nan 8.240 nan 0.000 0.509 539 G N 1.677 110.443 108.800 -0.057 0.000 2.599 539 G HA2 -0.178 3.783 3.960 0.001 0.000 0.219 539 G HA3 -0.178 3.783 3.960 0.001 0.000 0.219 539 G C -0.998 173.862 174.900 -0.068 0.000 1.193 539 G CA 1.213 46.276 45.100 -0.061 0.000 0.778 539 G HN 0.571 nan 8.290 nan 0.000 0.589 540 P HA -0.040 nan 4.420 nan 0.000 0.216 540 P C 2.106 179.362 177.300 -0.073 0.000 1.150 540 P CA 1.025 64.084 63.100 -0.069 0.000 0.837 540 P CB -0.142 31.515 31.700 -0.071 0.000 0.786 541 V N 0.174 120.045 119.914 -0.073 0.000 2.307 541 V HA -0.234 3.886 4.120 0.001 0.000 0.245 541 V C 2.474 178.484 176.094 -0.139 0.000 1.045 541 V CA 1.738 63.984 62.300 -0.090 0.000 1.024 541 V CB -1.043 30.739 31.823 -0.068 0.000 0.651 541 V HN 0.116 nan 8.190 nan 0.000 0.449 542 K N -0.262 120.060 120.400 -0.130 0.000 2.026 542 K HA -0.201 4.120 4.320 0.001 0.000 0.208 542 K C 2.303 178.825 176.600 -0.130 0.000 1.048 542 K CA 1.510 57.710 56.287 -0.145 0.000 0.929 542 K CB -0.098 32.339 32.500 -0.105 0.000 0.713 542 K HN 0.425 nan 8.250 nan 0.000 0.439 543 E N 0.965 121.102 120.200 -0.105 0.000 2.049 543 E HA -0.231 4.119 4.350 0.001 0.000 0.198 543 E C 1.963 178.490 176.600 -0.122 0.000 1.007 543 E CA 1.062 57.405 56.400 -0.096 0.000 0.809 543 E CB -0.177 29.475 29.700 -0.079 0.000 0.749 543 E HN 0.154 nan 8.360 nan 0.000 0.450 544 K N 0.847 121.164 120.400 -0.139 0.000 2.044 544 K HA -0.121 4.200 4.320 0.001 0.000 0.210 544 K C 2.325 178.771 176.600 -0.257 0.000 1.049 544 K CA 0.894 57.070 56.287 -0.185 0.000 0.927 544 K CB -0.574 31.824 32.500 -0.171 0.000 0.713 544 K HN 0.168 nan 8.250 nan 0.000 0.443 545 I N 0.865 121.296 120.570 -0.232 0.000 2.127 545 I HA -0.324 3.847 4.170 0.001 0.000 0.241 545 I C 2.353 178.402 176.117 -0.113 0.000 1.075 545 I CA 1.147 62.339 61.300 -0.180 0.000 1.334 545 I CB -0.286 37.555 38.000 -0.266 0.000 1.040 545 I HN 0.084 nan 8.210 nan 0.000 0.405 546 L N -0.299 120.857 121.223 -0.111 0.000 2.083 546 L HA -0.204 4.136 4.340 0.001 0.000 0.209 546 L C 2.749 179.564 176.870 -0.092 0.000 1.083 546 L CA 1.162 55.960 54.840 -0.070 0.000 0.752 546 L CB -0.592 41.431 42.059 -0.060 0.000 0.899 546 L HN 0.252 nan 8.230 nan 0.000 0.433 547 S N -0.223 115.399 115.700 -0.130 0.000 2.359 547 S HA -0.170 4.301 4.470 0.001 0.000 0.224 547 S C 1.944 176.433 174.600 -0.186 0.000 1.035 547 S CA 1.607 59.725 58.200 -0.137 0.000 1.018 547 S CB -0.127 62.986 63.200 -0.145 0.000 0.876 547 S HN 0.198 nan 8.310 nan 0.000 0.448 548 V N 1.775 121.501 119.914 -0.313 0.000 2.379 548 V HA -0.097 4.024 4.120 0.001 0.000 0.245 548 V C 2.250 178.065 176.094 -0.465 0.000 1.044 548 V CA 1.760 63.748 62.300 -0.519 0.000 1.036 548 V CB -0.651 30.628 31.823 -0.906 0.000 0.664 548 V HN 0.487 nan 8.190 nan 0.000 0.453 549 I N 0.143 120.578 120.570 -0.225 0.000 2.151 549 I HA -0.322 3.848 4.170 0.001 0.000 0.243 549 I C 2.603 178.741 176.117 0.036 0.000 1.080 549 I CA 2.047 63.331 61.300 -0.027 0.000 1.339 549 I CB -0.459 37.574 38.000 0.056 0.000 1.039 549 I HN 0.271 nan 8.210 nan 0.000 0.409 550 K N 0.690 121.087 120.400 -0.005 0.000 2.103 550 K HA -0.276 4.044 4.320 0.001 0.000 0.207 550 K C 2.075 178.706 176.600 0.051 0.000 1.048 550 K CA 1.836 58.136 56.287 0.021 0.000 0.930 550 K CB 0.016 32.511 32.500 -0.008 0.000 0.716 550 K HN 0.126 nan 8.250 nan 0.000 0.444 551 E N -0.018 120.203 120.200 0.036 0.000 2.046 551 E HA -0.145 4.205 4.350 0.001 0.000 0.190 551 E C 1.584 178.343 176.600 0.265 0.000 0.982 551 E CA 1.376 57.839 56.400 0.105 0.000 0.800 551 E CB -0.274 29.465 29.700 0.066 0.000 0.756 551 E HN 0.343 nan 8.360 nan 0.000 0.449 552 W N 0.152 121.479 121.300 0.045 0.000 2.358 552 W HA 0.137 4.798 4.660 0.001 0.000 0.303 552 W C 2.266 178.811 176.519 0.043 0.000 1.208 552 W CA 1.410 58.787 57.345 0.053 0.000 1.274 552 W CB -1.109 28.405 29.460 0.091 0.000 1.138 552 W HN 0.278 nan 8.180 nan 0.000 0.515 553 G N -2.167 106.797 108.800 0.275 0.000 2.683 553 G HA2 -0.024 3.937 3.960 0.001 0.000 0.213 553 G HA3 -0.024 3.937 3.960 0.001 0.000 0.213 553 G C 1.204 176.169 174.900 0.109 0.000 1.142 553 G CA 1.281 46.483 45.100 0.168 0.000 0.793 553 G HN 0.211 nan 8.290 nan 0.000 0.534 554 T N -0.490 114.125 114.554 0.101 0.000 2.975 554 T HA 0.325 4.675 4.350 0.001 0.000 0.261 554 T C 1.369 176.103 174.700 0.057 0.000 0.984 554 T CA 0.275 62.413 62.100 0.063 0.000 0.911 554 T CB 0.950 69.844 68.868 0.044 0.000 1.127 554 T HN 0.311 nan 8.240 nan 0.000 0.514 555 G N 0.893 109.740 108.800 0.078 0.000 2.510 555 G HA2 0.302 4.263 3.960 0.001 0.000 0.280 555 G HA3 0.302 4.263 3.960 0.001 0.000 0.280 555 G C 0.672 175.603 174.900 0.052 0.000 1.386 555 G CA -0.629 44.510 45.100 0.065 0.000 1.047 555 G HN 0.208 nan 8.290 nan 0.000 0.527 556 R N -0.551 119.973 120.500 0.039 0.000 2.193 556 R HA -0.041 4.299 4.340 0.001 0.000 0.229 556 R C 1.579 177.883 176.300 0.008 0.000 1.110 556 R CA 1.067 57.179 56.100 0.020 0.000 0.988 556 R CB -0.064 30.243 30.300 0.012 0.000 0.871 556 R HN 0.390 nan 8.270 nan 0.000 0.458 557 D N 0.632 121.039 120.400 0.012 0.000 2.182 557 D HA -0.125 4.516 4.640 0.001 0.000 0.201 557 D C 0.767 177.057 176.300 -0.016 0.000 0.986 557 D CA 1.889 55.873 54.000 -0.026 0.000 0.847 557 D CB -0.413 40.353 40.800 -0.057 0.000 0.942 557 D HN 0.335 nan 8.370 nan 0.000 0.467 558 T N -1.576 112.991 114.554 0.021 0.000 3.639 558 T HA -0.258 4.093 4.350 0.001 0.000 0.386 558 T C 0.065 174.777 174.700 0.020 0.000 0.764 558 T CA 0.191 62.306 62.100 0.025 0.000 1.954 558 T CB -2.492 66.381 68.868 0.008 0.000 1.755 558 T HN 0.189 nan 8.240 nan 0.000 0.715 559 L N 0.017 121.266 121.223 0.044 0.000 2.325 559 L HA 0.573 4.914 4.340 0.001 0.000 0.279 559 L C 1.025 177.945 176.870 0.083 0.000 1.054 559 L CA -1.268 53.595 54.840 0.038 0.000 0.804 559 L CB 1.361 43.425 42.059 0.009 0.000 1.200 559 L HN 0.310 nan 8.230 nan 0.000 0.436 560 R N 1.660 122.198 120.500 0.063 0.000 2.267 560 R HA 0.338 4.678 4.340 0.001 0.000 0.319 560 R C -1.201 175.165 176.300 0.110 0.000 1.067 560 R CA -0.405 55.742 56.100 0.078 0.000 0.936 560 R CB 0.504 30.833 30.300 0.049 0.000 1.006 560 R HN 0.657 nan 8.270 nan 0.000 0.452 561 C N 5.278 124.664 119.300 0.143 0.000 2.365 561 C HA 0.525 4.986 4.460 0.001 0.000 0.351 561 C C -0.716 174.350 174.990 0.127 0.000 1.240 561 C CA -0.813 58.310 59.018 0.175 0.000 2.062 561 C CB 0.731 28.608 27.740 0.228 0.000 2.387 561 C HN 0.633 nan 8.230 nan 0.000 0.537 562 L N 2.816 124.104 121.223 0.107 0.000 2.385 562 L HA 0.704 5.044 4.340 0.001 0.000 0.273 562 L C 0.161 177.063 176.870 0.053 0.000 0.990 562 L CA -0.217 54.672 54.840 0.082 0.000 0.821 562 L CB 1.439 43.533 42.059 0.059 0.000 1.279 562 L HN 0.846 nan 8.230 nan 0.000 0.412 563 A N 5.341 128.202 122.820 0.069 0.000 2.309 563 A HA 0.788 5.108 4.320 0.001 0.000 0.298 563 A C -0.944 176.623 177.584 -0.028 0.000 1.165 563 A CA -0.396 51.664 52.037 0.039 0.000 0.821 563 A CB 0.285 19.384 19.000 0.164 0.000 1.102 563 A HN 0.647 nan 8.150 nan 0.000 0.500 564 L N 1.812 122.931 121.223 -0.174 0.000 2.322 564 L HA 0.794 5.134 4.340 0.001 0.000 0.281 564 L C 0.314 177.050 176.870 -0.224 0.000 1.014 564 L CA -0.274 54.471 54.840 -0.159 0.000 0.815 564 L CB 1.800 43.753 42.059 -0.176 0.000 1.247 564 L HN 0.825 nan 8.230 nan 0.000 0.421 565 A N 1.701 124.482 122.820 -0.066 0.000 2.594 565 A HA 0.930 5.250 4.320 0.001 0.000 0.291 565 A C -0.900 176.725 177.584 0.068 0.000 1.105 565 A CA -0.525 51.503 52.037 -0.015 0.000 0.694 565 A CB 2.114 21.146 19.000 0.053 0.000 1.291 565 A HN 0.534 nan 8.150 nan 0.000 0.410 566 T N 1.018 115.616 114.554 0.073 0.000 2.886 566 T HA 0.467 4.817 4.350 0.001 0.000 0.292 566 T C -0.431 174.270 174.700 0.002 0.000 1.012 566 T CA -0.564 61.566 62.100 0.049 0.000 0.982 566 T CB 1.396 70.319 68.868 0.091 0.000 1.018 566 T HN 0.551 nan 8.240 nan 0.000 0.451 567 R N 2.290 122.744 120.500 -0.077 0.000 2.235 567 R HA 0.136 4.477 4.340 0.001 0.000 0.338 567 R C 0.019 176.241 176.300 -0.130 0.000 1.087 567 R CA -0.325 55.740 56.100 -0.058 0.000 0.948 567 R CB 0.342 30.614 30.300 -0.047 0.000 1.099 567 R HN 0.649 nan 8.270 nan 0.000 0.483 568 D N 1.294 121.649 120.400 -0.074 0.000 2.117 568 D HA -0.088 4.553 4.640 0.001 0.000 0.197 568 D C -0.011 176.218 176.300 -0.117 0.000 0.987 568 D CA 1.639 55.574 54.000 -0.108 0.000 0.829 568 D CB 0.412 41.148 40.800 -0.106 0.000 0.961 568 D HN 0.390 nan 8.370 nan 0.000 0.460 569 T N 3.273 117.783 114.554 -0.073 0.000 3.155 569 T HA 0.298 4.649 4.350 0.001 0.000 0.384 569 T C -2.459 172.221 174.700 -0.033 0.000 1.351 569 T CA -1.331 60.737 62.100 -0.054 0.000 1.198 569 T CB 2.205 71.061 68.868 -0.019 0.000 1.106 569 T HN -0.003 nan 8.240 nan 0.000 0.564 570 P HA 0.367 nan 4.420 nan 0.000 0.276 570 P C -2.592 174.749 177.300 0.068 0.000 1.244 570 P CA -1.784 61.296 63.100 -0.034 0.000 0.801 570 P CB -0.135 31.436 31.700 -0.215 0.000 1.006 571 P HA 0.069 nan 4.420 nan 0.000 0.267 571 P C -0.147 177.234 177.300 0.136 0.000 1.200 571 P CA 0.114 63.280 63.100 0.111 0.000 0.772 571 P CB 0.413 32.165 31.700 0.087 0.000 0.855 572 K N 1.441 121.890 120.400 0.081 0.000 2.550 572 K HA -0.126 4.194 4.320 0.001 0.000 0.280 572 K C 1.653 178.261 176.600 0.013 0.000 0.987 572 K CA 0.146 56.473 56.287 0.067 0.000 1.048 572 K CB 0.212 32.732 32.500 0.032 0.000 0.879 572 K HN 0.316 nan 8.250 nan 0.000 0.491 573 R N 3.069 123.567 120.500 -0.003 0.000 2.103 573 R HA -0.217 4.124 4.340 0.001 0.000 0.242 573 R C 0.948 177.146 176.300 -0.171 0.000 1.142 573 R CA 2.286 58.279 56.100 -0.177 0.000 0.960 573 R CB -0.103 30.121 30.300 -0.126 0.000 0.858 573 R HN 0.696 nan 8.270 nan 0.000 0.439 574 E N 0.446 120.589 120.200 -0.096 0.000 2.347 574 E HA -0.075 4.276 4.350 0.001 0.000 0.196 574 E C 0.998 177.546 176.600 -0.087 0.000 1.008 574 E CA 0.876 57.223 56.400 -0.088 0.000 0.852 574 E CB -0.029 29.642 29.700 -0.048 0.000 0.783 574 E HN 0.389 nan 8.360 nan 0.000 0.505 575 E N 0.055 120.205 120.200 -0.082 0.000 2.465 575 E HA 0.138 4.489 4.350 0.001 0.000 0.191 575 E C 0.020 176.563 176.600 -0.095 0.000 1.053 575 E CA 0.179 56.548 56.400 -0.052 0.000 0.869 575 E CB 0.026 29.721 29.700 -0.009 0.000 0.977 575 E HN 0.390 nan 8.360 nan 0.000 0.483 576 M N 0.882 120.350 119.600 -0.221 0.000 2.268 576 M HA 0.257 4.737 4.480 0.001 0.000 0.344 576 M C -0.400 175.767 176.300 -0.223 0.000 1.106 576 M CA -0.701 54.352 55.300 -0.412 0.000 1.010 576 M CB 2.530 34.714 32.600 -0.694 0.000 1.649 576 M HN -0.345 nan 8.290 nan 0.000 0.443 577 V N 5.443 125.374 119.914 0.028 0.000 2.334 577 V HA 0.157 4.278 4.120 0.001 0.000 0.267 577 V C 0.911 177.113 176.094 0.181 0.000 1.040 577 V CA -0.139 62.218 62.300 0.095 0.000 0.866 577 V CB 0.658 32.569 31.823 0.147 0.000 1.019 577 V HN 0.857 nan 8.190 nan 0.000 0.468 578 L N 2.983 124.214 121.223 0.014 0.000 2.554 578 L HA 0.053 4.394 4.340 0.001 0.000 0.226 578 L C 1.683 178.682 176.870 0.215 0.000 1.137 578 L CA 0.460 55.338 54.840 0.063 0.000 0.863 578 L CB -0.147 41.772 42.059 -0.233 0.000 0.985 578 L HN 0.709 nan 8.230 nan 0.000 0.451 579 D N -1.721 118.738 120.400 0.099 0.000 2.367 579 D HA -0.052 4.588 4.640 0.001 0.000 0.207 579 D C 0.304 176.492 176.300 -0.186 0.000 1.034 579 D CA 0.153 54.180 54.000 0.045 0.000 0.861 579 D CB 0.138 40.977 40.800 0.066 0.000 0.943 579 D HN 0.090 nan 8.370 nan 0.000 0.515 580 D N 0.982 121.277 120.400 -0.175 0.000 2.479 580 D HA 0.087 4.728 4.640 0.001 0.000 0.247 580 D C 1.178 177.088 176.300 -0.650 0.000 1.119 580 D CA -0.330 53.491 54.000 -0.298 0.000 0.922 580 D CB 1.095 41.824 40.800 -0.119 0.000 1.014 580 D HN -0.086 nan 8.370 nan 0.000 0.510 581 S N 0.808 115.840 115.700 -1.114 0.000 2.469 581 S HA -0.192 4.278 4.470 0.001 0.000 0.238 581 S C 1.807 175.863 174.600 -0.906 0.000 0.998 581 S CA 0.951 58.073 58.200 -1.795 0.000 0.957 581 S CB -0.315 62.181 63.200 -1.173 0.000 0.764 581 S HN 0.351 nan 8.310 nan 0.000 0.514 582 S N 1.773 117.170 115.700 -0.505 0.000 2.481 582 S HA 0.078 4.549 4.470 0.001 0.000 0.231 582 S C 1.669 176.122 174.600 -0.244 0.000 0.996 582 S CA -0.007 58.023 58.200 -0.283 0.000 0.942 582 S CB -0.389 62.695 63.200 -0.194 0.000 0.768 582 S HN 0.586 nan 8.310 nan 0.000 0.520 583 R N -0.599 119.731 120.500 -0.284 0.000 2.300 583 R HA 0.264 4.605 4.340 0.001 0.000 0.199 583 R C 0.845 176.864 176.300 -0.467 0.000 0.920 583 R CA 0.016 55.887 56.100 -0.381 0.000 1.046 583 R CB -0.201 29.864 30.300 -0.393 0.000 0.984 583 R HN 0.368 nan 8.270 nan 0.000 0.493 584 F N 1.159 120.917 119.950 -0.320 0.000 2.234 584 F HA -0.088 4.440 4.527 0.001 0.000 0.299 584 F C 2.281 178.035 175.800 -0.077 0.000 1.087 584 F CA 0.729 58.674 58.000 -0.093 0.000 1.340 584 F CB -0.580 38.435 39.000 0.025 0.000 1.031 584 F HN -0.018 nan 8.300 nan 0.000 0.500 585 M N 0.009 119.649 119.600 0.067 0.000 2.086 585 M HA -0.215 4.265 4.480 0.001 0.000 0.261 585 M C 2.345 178.645 176.300 0.001 0.000 1.067 585 M CA 1.743 57.060 55.300 0.028 0.000 1.116 585 M CB -0.337 32.257 32.600 -0.009 0.000 1.348 585 M HN 0.161 nan 8.290 nan 0.000 0.407 586 E N -0.416 119.726 120.200 -0.096 0.000 2.097 586 E HA -0.248 4.103 4.350 0.001 0.000 0.196 586 E C 1.603 178.225 176.600 0.037 0.000 1.000 586 E CA 1.700 58.046 56.400 -0.089 0.000 0.804 586 E CB -0.183 29.394 29.700 -0.205 0.000 0.740 586 E HN 0.621 nan 8.360 nan 0.000 0.454 587 Y N 0.694 121.057 120.300 0.105 0.000 2.352 587 Y HA 0.007 4.558 4.550 0.001 0.000 0.292 587 Y C 0.981 176.928 175.900 0.079 0.000 1.136 587 Y CA 0.770 58.929 58.100 0.099 0.000 1.227 587 Y CB -0.074 38.451 38.460 0.109 0.000 0.991 587 Y HN 0.061 nan 8.280 nan 0.000 0.545 588 E N 0.766 121.088 120.200 0.203 0.000 2.364 588 E HA 0.160 4.511 4.350 0.001 0.000 0.270 588 E C 0.001 176.660 176.600 0.099 0.000 1.398 588 E CA -0.173 56.306 56.400 0.132 0.000 1.721 588 E CB -0.097 29.672 29.700 0.115 0.000 1.525 588 E HN 0.241 nan 8.360 nan 0.000 0.446 589 T N -2.971 111.644 114.554 0.101 0.000 2.910 589 T HA 0.298 4.649 4.350 0.001 0.000 0.287 589 T C 0.208 174.958 174.700 0.083 0.000 1.050 589 T CA -0.897 61.249 62.100 0.077 0.000 1.011 589 T CB 1.373 70.278 68.868 0.061 0.000 1.195 589 T HN 0.033 nan 8.240 nan 0.000 0.540 590 D N -0.267 120.172 120.400 0.065 0.000 2.723 590 D HA -0.136 4.505 4.640 0.001 0.000 0.236 590 D C -0.422 175.967 176.300 0.149 0.000 1.138 590 D CA 0.421 54.471 54.000 0.083 0.000 0.676 590 D CB -1.572 39.296 40.800 0.113 0.000 1.069 590 D HN 0.625 nan 8.370 nan 0.000 0.430 591 L N -0.574 120.721 121.223 0.121 0.000 2.456 591 L HA 0.445 4.786 4.340 0.001 0.000 0.257 591 L C 1.107 178.109 176.870 0.219 0.000 1.162 591 L CA -0.357 54.570 54.840 0.146 0.000 0.808 591 L CB 1.082 43.210 42.059 0.114 0.000 1.136 591 L HN -0.051 nan 8.230 nan 0.000 0.466 592 T N 1.133 115.814 114.554 0.211 0.000 2.770 592 T HA 0.284 4.635 4.350 0.001 0.000 0.283 592 T C -0.449 174.377 174.700 0.209 0.000 0.988 592 T CA -0.313 61.937 62.100 0.251 0.000 0.957 592 T CB 0.578 69.559 68.868 0.189 0.000 0.930 592 T HN 0.234 nan 8.240 nan 0.000 0.443 593 F N 4.255 124.270 119.950 0.109 0.000 2.578 593 F HA 0.230 4.758 4.527 0.001 0.000 0.376 593 F C 0.826 176.673 175.800 0.078 0.000 1.085 593 F CA 0.219 58.267 58.000 0.080 0.000 1.260 593 F CB 0.504 39.549 39.000 0.075 0.000 1.095 593 F HN 0.351 nan 8.300 nan 0.000 0.573 594 V N 4.559 124.094 119.914 -0.632 0.000 2.743 594 V HA 0.494 4.615 4.120 0.001 0.000 0.237 594 V C 1.024 176.718 176.094 -0.667 0.000 1.113 594 V CA 0.714 62.762 62.300 -0.419 0.000 1.141 594 V CB -0.053 31.634 31.823 -0.226 0.000 0.873 594 V HN 1.024 nan 8.190 nan 0.000 0.486 595 G N -0.845 107.288 108.800 -1.111 0.000 2.430 595 G HA2 0.519 4.480 3.960 0.001 0.000 0.300 595 G HA3 0.519 4.480 3.960 0.001 0.000 0.300 595 G C -2.227 172.254 174.900 -0.698 0.000 1.330 595 G CA -0.218 44.389 45.100 -0.822 0.000 0.813 595 G HN -0.016 nan 8.290 nan 0.000 0.487 596 V N 0.052 119.582 119.914 -0.641 0.000 2.735 596 V HA 0.739 4.860 4.120 0.001 0.000 0.310 596 V C 0.019 176.020 176.094 -0.156 0.000 1.061 596 V CA -0.673 61.385 62.300 -0.403 0.000 0.913 596 V CB 1.641 33.124 31.823 -0.567 0.000 1.005 596 V HN 1.304 nan 8.190 nan 0.000 0.428 597 V N 1.018 120.938 119.914 0.009 0.000 2.628 597 V HA 1.039 5.159 4.120 0.001 0.000 0.306 597 V C 0.198 176.394 176.094 0.170 0.000 1.045 597 V CA -0.463 61.895 62.300 0.096 0.000 0.905 597 V CB 1.590 33.424 31.823 0.018 0.000 0.997 597 V HN 0.994 nan 8.190 nan 0.000 0.436 598 G N 5.245 114.131 108.800 0.144 0.000 2.544 598 G HA2 0.694 4.654 3.960 0.001 0.000 0.313 598 G HA3 0.694 4.654 3.960 0.001 0.000 0.313 598 G C -0.695 174.187 174.900 -0.031 0.000 1.316 598 G CA -0.898 44.260 45.100 0.097 0.000 0.944 598 G HN 1.168 nan 8.290 nan 0.000 0.489 599 M N 1.837 121.436 119.600 -0.003 0.000 2.465 599 M HA 0.779 5.259 4.480 0.001 0.000 0.316 599 M C -1.693 174.588 176.300 -0.032 0.000 1.121 599 M CA -1.169 54.115 55.300 -0.028 0.000 0.934 599 M CB 2.571 35.169 32.600 -0.004 0.000 1.692 599 M HN 0.326 nan 8.290 nan 0.000 0.444 600 L N 2.330 123.521 121.223 -0.055 0.000 2.307 600 L HA 0.544 4.885 4.340 0.001 0.000 0.284 600 L C -1.214 175.623 176.870 -0.054 0.000 1.023 600 L CA 0.266 55.074 54.840 -0.054 0.000 0.810 600 L CB 1.500 43.516 42.059 -0.071 0.000 1.231 600 L HN 0.804 nan 8.230 nan 0.000 0.423 601 D N 6.979 127.355 120.400 -0.040 0.000 2.467 601 D HA 0.357 4.998 4.640 0.001 0.000 0.220 601 D C -2.519 173.754 176.300 -0.046 0.000 1.103 601 D CA -1.978 51.996 54.000 -0.044 0.000 0.886 601 D CB 0.998 41.785 40.800 -0.022 0.000 1.025 601 D HN 0.300 nan 8.370 nan 0.000 0.514 602 P HA 0.243 nan 4.420 nan 0.000 0.275 602 P C -2.620 174.654 177.300 -0.042 0.000 1.227 602 P CA -1.472 61.597 63.100 -0.051 0.000 0.781 602 P CB 0.182 31.848 31.700 -0.057 0.000 0.906 603 P HA 0.048 nan 4.420 nan 0.000 0.263 603 P C 0.287 177.573 177.300 -0.024 0.000 1.175 603 P CA 0.377 63.455 63.100 -0.037 0.000 0.761 603 P CB 0.235 31.911 31.700 -0.041 0.000 0.794 604 R N 2.781 123.275 120.500 -0.011 0.000 2.583 604 R HA -0.109 4.232 4.340 0.001 0.000 0.274 604 R C 1.797 178.101 176.300 0.008 0.000 0.998 604 R CA 0.642 56.746 56.100 0.006 0.000 1.081 604 R CB 0.023 30.342 30.300 0.032 0.000 0.940 604 R HN 0.488 nan 8.270 nan 0.000 0.413 605 K N 1.635 122.039 120.400 0.007 0.000 2.360 605 K HA -0.187 4.133 4.320 0.001 0.000 0.201 605 K C 0.226 176.836 176.600 0.017 0.000 1.046 605 K CA 1.801 58.092 56.287 0.007 0.000 0.940 605 K CB 0.127 32.629 32.500 0.004 0.000 0.748 605 K HN 0.511 nan 8.250 nan 0.000 0.465 606 E N 0.794 121.012 120.200 0.031 0.000 2.431 606 E HA -0.039 4.312 4.350 0.001 0.000 0.200 606 E C 1.916 178.559 176.600 0.072 0.000 0.995 606 E CA 0.570 56.996 56.400 0.044 0.000 0.915 606 E CB 0.367 30.093 29.700 0.044 0.000 0.930 606 E HN 0.263 nan 8.360 nan 0.000 0.496 607 V N -0.790 119.172 119.914 0.081 0.000 2.343 607 V HA -0.304 3.816 4.120 0.001 0.000 0.247 607 V C 2.057 178.192 176.094 0.068 0.000 1.051 607 V CA 1.668 64.039 62.300 0.117 0.000 1.036 607 V CB -0.681 31.163 31.823 0.035 0.000 0.654 607 V HN 0.176 nan 8.190 nan 0.000 0.451 608 M N 1.277 120.890 119.600 0.022 0.000 2.108 608 M HA -0.036 4.445 4.480 0.001 0.000 0.261 608 M C 2.412 178.729 176.300 0.029 0.000 1.066 608 M CA 2.278 57.583 55.300 0.007 0.000 1.107 608 M CB -1.070 31.528 32.600 -0.004 0.000 1.356 608 M HN 0.562 nan 8.290 nan 0.000 0.406 609 G N -0.571 108.252 108.800 0.038 0.000 2.418 609 G HA2 -0.169 3.791 3.960 0.001 0.000 0.217 609 G HA3 -0.169 3.791 3.960 0.001 0.000 0.217 609 G C 1.592 176.529 174.900 0.062 0.000 1.158 609 G CA 1.092 46.217 45.100 0.041 0.000 0.771 609 G HN 0.440 nan 8.290 nan 0.000 0.545 610 S N 0.540 116.301 115.700 0.102 0.000 2.383 610 S HA -0.008 4.463 4.470 0.001 0.000 0.227 610 S C 2.253 176.976 174.600 0.206 0.000 1.026 610 S CA 0.544 58.831 58.200 0.145 0.000 0.981 610 S CB -0.100 63.223 63.200 0.205 0.000 0.818 610 S HN 0.271 nan 8.310 nan 0.000 0.472 611 I N 1.652 122.341 120.570 0.200 0.000 2.286 611 I HA -0.122 4.049 4.170 0.001 0.000 0.248 611 I C 2.593 178.754 176.117 0.074 0.000 1.115 611 I CA 1.168 62.547 61.300 0.132 0.000 1.392 611 I CB -1.087 36.915 38.000 0.005 0.000 1.065 611 I HN 0.301 nan 8.210 nan 0.000 0.418 612 Q N 0.815 120.648 119.800 0.054 0.000 2.084 612 Q HA -0.117 4.224 4.340 0.001 0.000 0.202 612 Q C 2.458 178.480 176.000 0.037 0.000 0.978 612 Q CA 1.325 57.149 55.803 0.035 0.000 0.844 612 Q CB -0.384 28.369 28.738 0.026 0.000 0.898 612 Q HN 0.515 nan 8.270 nan 0.000 0.426 613 L N -0.513 120.736 121.223 0.042 0.000 2.079 613 L HA -0.270 4.070 4.340 0.001 0.000 0.210 613 L C 2.653 179.542 176.870 0.031 0.000 1.081 613 L CA 1.000 55.858 54.840 0.031 0.000 0.752 613 L CB -0.526 41.547 42.059 0.023 0.000 0.896 613 L HN 0.264 nan 8.230 nan 0.000 0.433 614 C N -0.268 119.063 119.300 0.052 0.000 2.432 614 C HA -0.141 4.320 4.460 0.001 0.000 0.277 614 C C 2.889 177.902 174.990 0.038 0.000 1.249 614 C CA 0.597 59.647 59.018 0.053 0.000 1.725 614 C CB -0.963 26.840 27.740 0.104 0.000 2.028 614 C HN 0.457 nan 8.230 nan 0.000 0.477 615 R N 0.966 121.487 120.500 0.036 0.000 2.103 615 R HA -0.151 4.190 4.340 0.001 0.000 0.242 615 R C 1.546 177.858 176.300 0.020 0.000 1.142 615 R CA 1.812 57.926 56.100 0.024 0.000 0.960 615 R CB -0.506 29.806 30.300 0.021 0.000 0.858 615 R HN 0.551 nan 8.270 nan 0.000 0.439 616 D N 0.285 120.697 120.400 0.019 0.000 2.224 616 D HA -0.053 4.588 4.640 0.001 0.000 0.205 616 D C 1.345 177.652 176.300 0.013 0.000 0.965 616 D CA 1.192 55.201 54.000 0.015 0.000 0.852 616 D CB 0.013 40.821 40.800 0.014 0.000 0.947 616 D HN 0.282 nan 8.370 nan 0.000 0.494 617 A N -0.363 122.466 122.820 0.014 0.000 2.275 617 A HA 0.464 4.785 4.320 0.001 0.000 0.212 617 A C 1.658 179.249 177.584 0.011 0.000 1.201 617 A CA 0.701 52.744 52.037 0.011 0.000 0.843 617 A CB -0.183 18.822 19.000 0.007 0.000 0.873 617 A HN 0.175 nan 8.150 nan 0.000 0.492 618 G N -0.286 108.522 108.800 0.014 0.000 2.198 618 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 618 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 618 G C -0.008 174.901 174.900 0.016 0.000 1.025 618 G CA 0.526 45.634 45.100 0.014 0.000 0.769 618 G HN 0.517 nan 8.290 nan 0.000 0.507 619 I N 0.419 121.001 120.570 0.021 0.000 2.321 619 I HA 0.335 4.506 4.170 0.001 0.000 0.291 619 I C 1.062 177.202 176.117 0.038 0.000 0.998 619 I CA -0.838 60.479 61.300 0.028 0.000 1.227 619 I CB 1.160 39.176 38.000 0.027 0.000 1.368 619 I HN 0.041 nan 8.210 nan 0.000 0.466 620 R N 5.093 125.615 120.500 0.037 0.000 2.490 620 R HA 0.471 4.811 4.340 0.001 0.000 0.280 620 R C -1.140 175.191 176.300 0.052 0.000 1.077 620 R CA -0.280 55.841 56.100 0.036 0.000 1.065 620 R CB 1.098 31.419 30.300 0.034 0.000 1.003 620 R HN 0.409 nan 8.270 nan 0.000 0.470 621 V N 6.393 126.324 119.914 0.030 0.000 2.448 621 V HA 0.411 4.531 4.120 0.001 0.000 0.295 621 V C 0.068 176.143 176.094 -0.033 0.000 1.025 621 V CA -0.660 61.660 62.300 0.034 0.000 0.859 621 V CB 1.784 33.623 31.823 0.026 0.000 0.988 621 V HN 0.631 nan 8.190 nan 0.000 0.431 622 I N 5.042 125.619 120.570 0.012 0.000 2.362 622 I HA 0.443 4.614 4.170 0.001 0.000 0.289 622 I C -0.013 176.101 176.117 -0.005 0.000 0.994 622 I CA -0.324 60.986 61.300 0.017 0.000 1.158 622 I CB 1.684 39.770 38.000 0.144 0.000 1.315 622 I HN 0.562 nan 8.210 nan 0.000 0.451 623 M N 7.316 126.872 119.600 -0.073 0.000 2.180 623 M HA 0.499 4.979 4.480 0.001 0.000 0.358 623 M C -1.180 175.141 176.300 0.036 0.000 1.233 623 M CA -0.065 55.194 55.300 -0.067 0.000 1.114 623 M CB 0.835 33.350 32.600 -0.142 0.000 1.594 623 M HN 0.493 nan 8.290 nan 0.000 0.467 624 I N 3.787 124.381 120.570 0.041 0.000 2.406 624 I HA 0.433 4.604 4.170 0.001 0.000 0.290 624 I C -0.271 175.866 176.117 0.033 0.000 0.999 624 I CA -0.334 61.008 61.300 0.071 0.000 1.124 624 I CB 2.191 40.224 38.000 0.055 0.000 1.289 624 I HN 0.648 nan 8.210 nan 0.000 0.441 625 T N 2.590 117.169 114.554 0.041 0.000 2.843 625 T HA 0.479 4.830 4.350 0.001 0.000 0.302 625 T C 0.562 175.282 174.700 0.033 0.000 1.232 625 T CA -0.253 61.862 62.100 0.024 0.000 1.009 625 T CB 1.715 70.589 68.868 0.010 0.000 1.254 625 T HN 0.694 nan 8.240 nan 0.000 0.504 626 G N 1.005 109.822 108.800 0.027 0.000 3.088 626 G HA2 0.184 4.145 3.960 0.001 0.000 0.217 626 G HA3 0.184 4.145 3.960 0.001 0.000 0.217 626 G C 0.210 175.132 174.900 0.038 0.000 1.159 626 G CA -0.158 44.962 45.100 0.034 0.000 0.760 626 G HN 0.723 nan 8.290 nan 0.000 0.550 627 D N 1.136 121.556 120.400 0.033 0.000 2.400 627 D HA 0.010 4.651 4.640 0.001 0.000 0.238 627 D C 0.682 177.011 176.300 0.049 0.000 1.157 627 D CA 0.123 54.146 54.000 0.038 0.000 0.889 627 D CB 0.779 41.598 40.800 0.030 0.000 1.199 627 D HN 0.472 nan 8.370 nan 0.000 0.436 628 N N -0.143 118.591 118.700 0.056 0.000 2.381 628 N HA -0.073 4.668 4.740 0.001 0.000 0.241 628 N C 0.860 176.397 175.510 0.046 0.000 1.279 628 N CA -0.480 52.604 53.050 0.058 0.000 0.896 628 N CB 1.258 39.783 38.487 0.064 0.000 1.118 628 N HN 0.292 nan 8.380 nan 0.000 0.438 629 K N 0.855 121.279 120.400 0.040 0.000 2.032 629 K HA -0.165 4.156 4.320 0.001 0.000 0.209 629 K C 1.916 178.527 176.600 0.018 0.000 1.048 629 K CA 1.729 58.031 56.287 0.024 0.000 0.927 629 K CB -0.859 31.647 32.500 0.010 0.000 0.712 629 K HN 0.806 nan 8.250 nan 0.000 0.441 630 G N -0.121 108.692 108.800 0.021 0.000 2.440 630 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 630 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 630 G C 1.418 176.338 174.900 0.033 0.000 1.154 630 G CA 1.426 46.538 45.100 0.020 0.000 0.767 630 G HN 0.346 nan 8.290 nan 0.000 0.552 631 T N 1.443 116.022 114.554 0.041 0.000 2.812 631 T HA 0.151 4.502 4.350 0.001 0.000 0.264 631 T C 2.843 177.564 174.700 0.035 0.000 1.042 631 T CA 1.235 63.361 62.100 0.044 0.000 1.140 631 T CB -0.350 68.548 68.868 0.051 0.000 0.870 631 T HN 0.368 nan 8.240 nan 0.000 0.445 632 A N 1.551 124.390 122.820 0.033 0.000 1.873 632 A HA -0.127 4.193 4.320 0.001 0.000 0.218 632 A C 2.264 179.874 177.584 0.043 0.000 1.193 632 A CA 1.610 53.663 52.037 0.026 0.000 0.629 632 A CB -0.958 18.058 19.000 0.027 0.000 0.826 632 A HN 0.513 nan 8.150 nan 0.000 0.447 633 I N -0.394 120.219 120.570 0.071 0.000 2.179 633 I HA -0.292 3.879 4.170 0.001 0.000 0.242 633 I C 2.999 179.191 176.117 0.125 0.000 1.088 633 I CA 1.058 62.444 61.300 0.144 0.000 1.357 633 I CB -0.381 37.663 38.000 0.073 0.000 1.051 633 I HN 0.378 nan 8.210 nan 0.000 0.409 634 A N 0.978 123.838 122.820 0.066 0.000 1.917 634 A HA -0.225 4.096 4.320 0.001 0.000 0.219 634 A C 2.282 179.889 177.584 0.038 0.000 1.182 634 A CA 1.813 53.880 52.037 0.051 0.000 0.633 634 A CB -0.930 18.095 19.000 0.042 0.000 0.819 634 A HN 0.432 nan 8.150 nan 0.000 0.448 635 I N -0.924 119.659 120.570 0.021 0.000 2.315 635 I HA -0.278 3.893 4.170 0.001 0.000 0.248 635 I C 2.459 178.554 176.117 -0.037 0.000 1.117 635 I CA 0.902 62.195 61.300 -0.012 0.000 1.404 635 I CB -0.415 37.570 38.000 -0.025 0.000 1.071 635 I HN 0.383 nan 8.210 nan 0.000 0.419 636 C N 0.644 119.922 119.300 -0.037 0.000 2.429 636 C HA -0.130 4.330 4.460 0.001 0.000 0.277 636 C C 2.914 177.875 174.990 -0.049 0.000 1.262 636 C CA 0.784 59.724 59.018 -0.131 0.000 1.733 636 C CB -1.195 26.375 27.740 -0.283 0.000 2.010 636 C HN 0.420 nan 8.230 nan 0.000 0.483 637 R N 0.394 120.944 120.500 0.084 0.000 2.073 637 R HA -0.152 4.189 4.340 0.001 0.000 0.234 637 R C 2.467 178.783 176.300 0.026 0.000 1.134 637 R CA 1.463 57.620 56.100 0.093 0.000 0.952 637 R CB -0.449 29.909 30.300 0.096 0.000 0.850 637 R HN 0.546 nan 8.270 nan 0.000 0.433 638 R N 1.562 122.066 120.500 0.007 0.000 2.091 638 R HA -0.134 4.206 4.340 0.001 0.000 0.238 638 R C 2.194 178.478 176.300 -0.028 0.000 1.136 638 R CA 1.890 57.984 56.100 -0.010 0.000 0.959 638 R CB -0.247 30.044 30.300 -0.015 0.000 0.856 638 R HN 0.399 nan 8.270 nan 0.000 0.437 639 I N -3.912 116.626 120.570 -0.053 0.000 3.793 639 I HA 0.371 4.541 4.170 0.001 0.000 0.315 639 I C 0.911 176.984 176.117 -0.073 0.000 1.275 639 I CA 0.734 61.991 61.300 -0.072 0.000 1.214 639 I CB 0.827 38.759 38.000 -0.114 0.000 1.018 639 I HN 0.350 nan 8.210 nan 0.000 0.439 640 G N 1.749 110.513 108.800 -0.060 0.000 2.201 640 G HA2 -0.245 3.716 3.960 0.001 0.000 0.212 640 G HA3 -0.245 3.716 3.960 0.001 0.000 0.212 640 G C 0.717 175.571 174.900 -0.077 0.000 0.994 640 G CA 0.275 45.348 45.100 -0.045 0.000 0.644 640 G HN 0.421 nan 8.290 nan 0.000 0.508 641 I N -0.125 120.344 120.570 -0.169 0.000 2.179 641 I HA 0.057 4.227 4.170 0.001 0.000 0.242 641 I C 1.092 177.033 176.117 -0.294 0.000 1.088 641 I CA 1.236 62.352 61.300 -0.307 0.000 1.357 641 I CB -0.198 37.497 38.000 -0.507 0.000 1.051 641 I HN 0.111 nan 8.210 nan 0.000 0.409 642 F N 0.332 120.253 119.950 -0.048 0.000 2.470 642 F HA 0.512 5.039 4.527 0.001 0.000 0.329 642 F C 0.971 176.750 175.800 -0.035 0.000 1.072 642 F CA -1.552 56.422 58.000 -0.044 0.000 0.989 642 F CB 0.558 39.526 39.000 -0.053 0.000 1.193 642 F HN -0.204 nan 8.300 nan 0.000 0.481 643 G N 0.526 109.441 108.800 0.191 0.000 2.544 643 G HA2 0.087 4.048 3.960 0.001 0.000 0.242 643 G HA3 0.087 4.048 3.960 0.001 0.000 0.242 643 G C 0.778 175.717 174.900 0.066 0.000 1.247 643 G CA -0.286 44.866 45.100 0.087 0.000 0.840 643 G HN 0.854 nan 8.290 nan 0.000 0.578 644 E N 0.581 120.804 120.200 0.038 0.000 2.130 644 E HA -0.163 4.188 4.350 0.001 0.000 0.196 644 E C 1.154 177.757 176.600 0.004 0.000 0.998 644 E CA 1.383 57.797 56.400 0.023 0.000 0.806 644 E CB 0.121 29.829 29.700 0.014 0.000 0.738 644 E HN 0.538 nan 8.360 nan 0.000 0.459 645 N N 0.424 119.121 118.700 -0.006 0.000 2.159 645 N HA 0.011 4.752 4.740 0.001 0.000 0.217 645 N C -0.662 174.823 175.510 -0.043 0.000 1.223 645 N CA 0.084 53.120 53.050 -0.023 0.000 0.896 645 N CB 0.616 39.093 38.487 -0.017 0.000 1.064 645 N HN 0.322 nan 8.380 nan 0.000 0.518 646 E N 0.709 120.880 120.200 -0.049 0.000 2.373 646 E HA 0.156 4.507 4.350 0.001 0.000 0.263 646 E C -0.201 176.312 176.600 -0.145 0.000 1.073 646 E CA -0.345 56.008 56.400 -0.077 0.000 0.894 646 E CB 1.159 30.826 29.700 -0.054 0.000 1.008 646 E HN -0.159 nan 8.360 nan 0.000 0.420 647 E N 1.381 121.493 120.200 -0.146 0.000 2.338 647 E HA 0.087 4.438 4.350 0.001 0.000 0.272 647 E C 0.062 176.490 176.600 -0.287 0.000 1.029 647 E CA -0.095 56.196 56.400 -0.182 0.000 0.872 647 E CB 1.718 31.343 29.700 -0.126 0.000 1.015 647 E HN 0.546 nan 8.360 nan 0.000 0.417 648 V N 0.439 120.134 119.914 -0.364 0.000 3.372 648 V HA 0.311 4.432 4.120 0.001 0.000 0.304 648 V C 1.391 177.242 176.094 -0.405 0.000 1.530 648 V CA 0.393 62.363 62.300 -0.551 0.000 1.080 648 V CB 0.136 31.325 31.823 -1.056 0.000 0.929 648 V HN 0.533 nan 8.190 nan 0.000 0.455 649 A N 2.499 125.148 122.820 -0.284 0.000 1.927 649 A HA -0.252 4.068 4.320 0.001 0.000 0.220 649 A C 1.698 179.096 177.584 -0.311 0.000 1.185 649 A CA 2.512 54.397 52.037 -0.253 0.000 0.639 649 A CB -0.626 18.277 19.000 -0.162 0.000 0.820 649 A HN 0.856 nan 8.150 nan 0.000 0.451 650 D N -2.122 118.147 120.400 -0.219 0.000 2.427 650 D HA 0.142 4.782 4.640 0.001 0.000 0.224 650 D C 0.958 177.214 176.300 -0.072 0.000 1.157 650 D CA -0.076 53.852 54.000 -0.120 0.000 0.828 650 D CB -0.154 40.662 40.800 0.026 0.000 0.974 650 D HN 0.485 nan 8.370 nan 0.000 0.498 651 R N -0.652 119.710 120.500 -0.231 0.000 2.541 651 R HA 0.487 4.828 4.340 0.001 0.000 0.332 651 R C -0.262 175.986 176.300 -0.087 0.000 0.951 651 R CA -0.073 55.988 56.100 -0.065 0.000 1.136 651 R CB 1.556 31.840 30.300 -0.027 0.000 1.449 651 R HN 0.135 nan 8.270 nan 0.000 0.531 652 A N 0.533 123.113 122.820 -0.400 0.000 2.422 652 A HA 0.726 5.047 4.320 0.001 0.000 0.302 652 A C -1.637 175.553 177.584 -0.657 0.000 1.041 652 A CA -0.459 51.366 52.037 -0.353 0.000 0.708 652 A CB 0.998 19.908 19.000 -0.151 0.000 1.257 652 A HN 0.157 nan 8.150 nan 0.000 0.414 653 Y N 0.273 120.450 120.300 -0.205 0.000 2.504 653 Y HA 0.525 5.076 4.550 0.001 0.000 0.344 653 Y C 0.881 176.812 175.900 0.052 0.000 1.023 653 Y CA -0.359 57.725 58.100 -0.025 0.000 1.020 653 Y CB 2.432 40.963 38.460 0.117 0.000 1.282 653 Y HN 0.825 nan 8.280 nan 0.000 0.454 654 T N -1.979 112.714 114.554 0.232 0.000 2.849 654 T HA 0.340 4.691 4.350 0.001 0.000 0.284 654 T C 1.368 176.176 174.700 0.181 0.000 1.004 654 T CA -0.100 62.102 62.100 0.170 0.000 1.021 654 T CB 1.341 70.283 68.868 0.123 0.000 1.013 654 T HN 0.854 nan 8.240 nan 0.000 0.527 655 G N 0.746 109.566 108.800 0.033 0.000 2.476 655 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 655 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 655 G C 1.730 176.723 174.900 0.155 0.000 1.164 655 G CA 0.251 45.281 45.100 -0.118 0.000 0.768 655 G HN 0.682 nan 8.290 nan 0.000 0.560 656 R N 0.624 121.220 120.500 0.159 0.000 2.097 656 R HA -0.093 4.247 4.340 0.001 0.000 0.236 656 R C 2.451 178.862 176.300 0.185 0.000 1.135 656 R CA 1.642 57.841 56.100 0.165 0.000 0.934 656 R CB -0.920 29.454 30.300 0.123 0.000 0.846 656 R HN 0.524 nan 8.270 nan 0.000 0.431 657 E N -0.094 120.232 120.200 0.209 0.000 2.085 657 E HA -0.201 4.149 4.350 0.001 0.000 0.194 657 E C 1.793 178.546 176.600 0.255 0.000 0.994 657 E CA 1.288 57.833 56.400 0.242 0.000 0.801 657 E CB -0.286 29.606 29.700 0.320 0.000 0.743 657 E HN 0.197 nan 8.360 nan 0.000 0.453 658 F N 1.919 121.954 119.950 0.142 0.000 2.171 658 F HA -0.189 4.339 4.527 0.001 0.000 0.300 658 F C 1.621 177.480 175.800 0.098 0.000 1.090 658 F CA 1.442 59.481 58.000 0.065 0.000 1.293 658 F CB 0.103 39.164 39.000 0.101 0.000 1.013 658 F HN -0.086 nan 8.300 nan 0.000 0.486 659 D N -0.064 120.484 120.400 0.247 0.000 2.224 659 D HA -0.131 4.510 4.640 0.001 0.000 0.205 659 D C 1.585 177.904 176.300 0.030 0.000 0.965 659 D CA 1.093 55.185 54.000 0.153 0.000 0.852 659 D CB -0.404 40.536 40.800 0.233 0.000 0.947 659 D HN 0.346 nan 8.370 nan 0.000 0.494 660 D N 0.049 120.472 120.400 0.038 0.000 2.347 660 D HA 0.022 4.663 4.640 0.001 0.000 0.215 660 D C 0.644 176.923 176.300 -0.036 0.000 0.976 660 D CA 0.124 54.133 54.000 0.015 0.000 0.884 660 D CB 0.321 41.148 40.800 0.045 0.000 0.915 660 D HN 0.229 nan 8.370 nan 0.000 0.526 661 L N 2.659 123.817 121.223 -0.109 0.000 2.349 661 L HA 0.231 4.571 4.340 0.001 0.000 0.275 661 L C -1.894 174.870 176.870 -0.177 0.000 1.115 661 L CA -1.726 53.013 54.840 -0.169 0.000 0.820 661 L CB 0.619 42.496 42.059 -0.302 0.000 1.135 661 L HN -0.196 nan 8.230 nan 0.000 0.445 662 P HA 0.017 nan 4.420 nan 0.000 0.271 662 P C 0.709 177.928 177.300 -0.136 0.000 1.233 662 P CA -0.537 62.503 63.100 -0.100 0.000 0.789 662 P CB 0.876 32.538 31.700 -0.065 0.000 0.951 663 L N 1.683 122.858 121.223 -0.080 0.000 2.051 663 L HA -0.261 4.080 4.340 0.001 0.000 0.214 663 L C 2.690 179.489 176.870 -0.118 0.000 1.076 663 L CA 2.817 57.630 54.840 -0.046 0.000 0.758 663 L CB -2.022 40.060 42.059 0.038 0.000 0.890 663 L HN 0.480 nan 8.230 nan 0.000 0.433 664 A N -1.196 121.568 122.820 -0.094 0.000 1.930 664 A HA -0.198 4.123 4.320 0.001 0.000 0.217 664 A C 2.232 179.732 177.584 -0.140 0.000 1.175 664 A CA 1.620 53.599 52.037 -0.095 0.000 0.627 664 A CB -0.443 18.527 19.000 -0.050 0.000 0.815 664 A HN 0.533 nan 8.150 nan 0.000 0.443 665 E N -0.469 119.636 120.200 -0.157 0.000 2.152 665 E HA -0.169 4.181 4.350 0.001 0.000 0.192 665 E C 2.219 178.645 176.600 -0.289 0.000 0.983 665 E CA 0.927 57.225 56.400 -0.170 0.000 0.818 665 E CB -0.156 29.460 29.700 -0.140 0.000 0.758 665 E HN 0.707 nan 8.360 nan 0.000 0.467 666 Q N 0.469 120.002 119.800 -0.446 0.000 2.084 666 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 666 Q C 2.271 177.870 176.000 -0.667 0.000 0.978 666 Q CA 1.021 56.402 55.803 -0.703 0.000 0.844 666 Q CB -0.121 28.125 28.738 -0.819 0.000 0.898 666 Q HN 0.142 nan 8.270 nan 0.000 0.426 667 R N 0.910 120.893 120.500 -0.861 0.000 2.073 667 R HA -0.201 4.139 4.340 0.001 0.000 0.234 667 R C 2.034 178.305 176.300 -0.048 0.000 1.134 667 R CA 1.712 57.398 56.100 -0.691 0.000 0.952 667 R CB -0.029 30.039 30.300 -0.387 0.000 0.850 667 R HN 0.119 nan 8.270 nan 0.000 0.433 668 E N 0.189 120.374 120.200 -0.025 0.000 2.085 668 E HA -0.167 4.184 4.350 0.001 0.000 0.194 668 E C 1.738 178.360 176.600 0.037 0.000 0.994 668 E CA 1.648 58.082 56.400 0.057 0.000 0.801 668 E CB -0.189 29.523 29.700 0.020 0.000 0.743 668 E HN 0.470 nan 8.360 nan 0.000 0.453 669 A N -0.045 122.773 122.820 -0.005 0.000 1.908 669 A HA -0.251 4.069 4.320 0.001 0.000 0.218 669 A C 2.501 180.203 177.584 0.197 0.000 1.181 669 A CA 1.647 53.711 52.037 0.046 0.000 0.627 669 A CB -1.094 17.773 19.000 -0.221 0.000 0.818 669 A HN 0.530 nan 8.150 nan 0.000 0.445 670 C N -0.343 119.109 119.300 0.255 0.000 2.419 670 C HA -0.060 4.400 4.460 0.001 0.000 0.283 670 C C 2.847 177.958 174.990 0.201 0.000 1.373 670 C CA 1.065 60.283 59.018 0.334 0.000 1.781 670 C CB -1.382 26.587 27.740 0.382 0.000 1.886 670 C HN 0.777 nan 8.230 nan 0.000 0.520 671 R N 1.770 122.305 120.500 0.058 0.000 2.153 671 R HA -0.047 4.293 4.340 0.001 0.000 0.218 671 R C 1.996 178.260 176.300 -0.061 0.000 1.072 671 R CA 1.423 57.427 56.100 -0.161 0.000 0.990 671 R CB -0.374 29.546 30.300 -0.634 0.000 0.889 671 R HN 0.650 nan 8.270 nan 0.000 0.452 672 R N 0.194 120.707 120.500 0.022 0.000 2.279 672 R HA 0.384 4.725 4.340 0.001 0.000 0.195 672 R C 0.496 176.858 176.300 0.104 0.000 0.905 672 R CA 0.275 56.406 56.100 0.052 0.000 1.044 672 R CB 0.195 30.525 30.300 0.050 0.000 1.056 672 R HN 0.079 nan 8.270 nan 0.000 0.535 673 A N 0.714 123.616 122.820 0.138 0.000 2.483 673 A HA 0.246 4.566 4.320 0.001 0.000 0.238 673 A C 0.454 178.060 177.584 0.037 0.000 1.070 673 A CA -0.205 51.878 52.037 0.076 0.000 0.770 673 A CB 0.352 19.330 19.000 -0.036 0.000 1.008 673 A HN 0.538 nan 8.150 nan 0.000 0.497 674 C N 0.262 119.552 119.300 -0.016 0.000 3.785 674 C HA 0.376 4.836 4.460 0.001 0.000 0.312 674 C C 0.298 175.155 174.990 -0.221 0.000 1.566 674 C CA -0.263 58.686 59.018 -0.115 0.000 1.837 674 C CB -1.084 26.513 27.740 -0.239 0.000 2.826 674 C HN 0.881 nan 8.230 nan 0.000 0.667 675 C N 1.460 120.621 119.300 -0.232 0.000 2.607 675 C HA 0.730 5.191 4.460 0.001 0.000 0.350 675 C C -1.746 173.017 174.990 -0.378 0.000 1.101 675 C CA -0.433 58.468 59.018 -0.194 0.000 1.282 675 C CB -0.405 27.316 27.740 -0.031 0.000 1.825 675 C HN 0.420 nan 8.230 nan 0.000 0.460 676 F N 4.639 124.592 119.950 0.006 0.000 2.460 676 F HA 0.665 5.193 4.527 0.001 0.000 0.341 676 F C 0.526 176.310 175.800 -0.026 0.000 1.130 676 F CA -0.195 57.794 58.000 -0.017 0.000 0.962 676 F CB 1.667 40.612 39.000 -0.091 0.000 1.171 676 F HN 0.798 nan 8.300 nan 0.000 0.436 677 A N 3.438 126.342 122.820 0.139 0.000 2.318 677 A HA 0.777 5.098 4.320 0.001 0.000 0.324 677 A C 0.177 177.807 177.584 0.076 0.000 1.170 677 A CA -0.920 51.168 52.037 0.085 0.000 0.810 677 A CB 0.540 19.575 19.000 0.058 0.000 1.198 677 A HN 0.887 nan 8.150 nan 0.000 0.484 678 R N -0.485 120.051 120.500 0.060 0.000 3.079 678 R HA -0.139 4.202 4.340 0.001 0.000 0.254 678 R C -0.032 176.284 176.300 0.027 0.000 0.900 678 R CA 0.802 56.936 56.100 0.056 0.000 0.641 678 R CB -2.145 28.198 30.300 0.071 0.000 1.307 678 R HN 1.237 nan 8.270 nan 0.000 0.477 679 V N -2.404 117.510 119.914 0.001 0.000 3.093 679 V HA 0.682 4.803 4.120 0.001 0.000 0.320 679 V C 0.577 176.754 176.094 0.138 0.000 1.093 679 V CA -0.874 61.396 62.300 -0.050 0.000 1.016 679 V CB 2.237 33.932 31.823 -0.213 0.000 1.096 679 V HN 0.129 nan 8.190 nan 0.000 0.452 680 E N 1.262 121.698 120.200 0.394 0.000 2.232 680 E HA 0.444 4.794 4.350 0.001 0.000 0.264 680 E C -2.075 174.577 176.600 0.086 0.000 0.973 680 E CA -2.278 54.231 56.400 0.182 0.000 0.849 680 E CB 1.198 30.971 29.700 0.121 0.000 1.198 680 E HN 0.465 nan 8.360 nan 0.000 0.407 681 P HA -0.229 nan 4.420 nan 0.000 0.216 681 P C 1.409 178.673 177.300 -0.061 0.000 1.154 681 P CA 2.246 65.324 63.100 -0.037 0.000 0.865 681 P CB 0.056 31.718 31.700 -0.064 0.000 0.789 682 S N -1.593 114.046 115.700 -0.101 0.000 2.402 682 S HA -0.291 4.179 4.470 0.001 0.000 0.233 682 S C 1.764 176.255 174.600 -0.181 0.000 1.030 682 S CA 1.635 59.741 58.200 -0.157 0.000 1.003 682 S CB -1.777 61.298 63.200 -0.207 0.000 0.813 682 S HN 0.299 nan 8.310 nan 0.000 0.477 683 H N 1.309 120.324 119.070 -0.091 0.000 2.389 683 H HA 0.122 4.679 4.556 0.001 0.000 0.299 683 H C 2.347 177.530 175.328 -0.241 0.000 1.081 683 H CA 1.656 57.600 56.048 -0.173 0.000 1.345 683 H CB -0.082 29.531 29.762 -0.247 0.000 1.393 683 H HN 0.397 nan 8.280 nan 0.000 0.520 684 K N 0.046 120.400 120.400 -0.076 0.000 2.044 684 K HA -0.168 4.153 4.320 0.001 0.000 0.210 684 K C 2.477 179.017 176.600 -0.100 0.000 1.049 684 K CA 1.647 57.869 56.287 -0.107 0.000 0.927 684 K CB -0.113 32.345 32.500 -0.070 0.000 0.713 684 K HN 0.103 nan 8.250 nan 0.000 0.443 685 S N 0.678 116.323 115.700 -0.092 0.000 2.356 685 S HA -0.136 4.335 4.470 0.001 0.000 0.223 685 S C 1.732 176.258 174.600 -0.123 0.000 1.032 685 S CA 1.362 59.505 58.200 -0.095 0.000 1.005 685 S CB -0.058 63.087 63.200 -0.093 0.000 0.867 685 S HN 0.251 nan 8.310 nan 0.000 0.449 686 K N 0.496 120.818 120.400 -0.130 0.000 2.097 686 K HA 0.013 4.334 4.320 0.001 0.000 0.206 686 K C 1.925 178.440 176.600 -0.141 0.000 1.049 686 K CA 1.118 57.298 56.287 -0.179 0.000 0.933 686 K CB -0.266 32.221 32.500 -0.021 0.000 0.717 686 K HN 0.330 nan 8.250 nan 0.000 0.442 687 I N 0.378 120.897 120.570 -0.086 0.000 2.226 687 I HA -0.282 3.889 4.170 0.001 0.000 0.245 687 I C 2.120 178.251 176.117 0.025 0.000 1.100 687 I CA 0.995 62.270 61.300 -0.042 0.000 1.374 687 I CB -0.208 37.625 38.000 -0.279 0.000 1.057 687 I HN -0.067 nan 8.210 nan 0.000 0.413 688 V N 0.699 120.594 119.914 -0.033 0.000 2.295 688 V HA -0.290 3.830 4.120 0.001 0.000 0.246 688 V C 2.354 178.441 176.094 -0.011 0.000 1.049 688 V CA 1.986 64.280 62.300 -0.011 0.000 1.024 688 V CB -0.708 31.095 31.823 -0.032 0.000 0.648 688 V HN 0.440 nan 8.190 nan 0.000 0.447 689 E N -0.743 119.404 120.200 -0.089 0.000 2.049 689 E HA -0.260 4.090 4.350 0.001 0.000 0.198 689 E C 2.222 178.791 176.600 -0.051 0.000 1.007 689 E CA 2.017 58.337 56.400 -0.134 0.000 0.809 689 E CB -0.320 29.207 29.700 -0.289 0.000 0.749 689 E HN 0.656 nan 8.360 nan 0.000 0.450 690 Y N 0.262 120.597 120.300 0.059 0.000 2.224 690 Y HA -0.181 4.369 4.550 0.001 0.000 0.289 690 Y C 2.136 178.133 175.900 0.162 0.000 1.146 690 Y CA 0.642 58.801 58.100 0.098 0.000 1.182 690 Y CB -0.450 38.118 38.460 0.180 0.000 0.983 690 Y HN 0.063 nan 8.280 nan 0.000 0.524 691 L N -0.099 121.308 121.223 0.305 0.000 2.093 691 L HA -0.203 4.138 4.340 0.001 0.000 0.208 691 L C 2.190 179.179 176.870 0.198 0.000 1.085 691 L CA 1.645 56.644 54.840 0.266 0.000 0.755 691 L CB -1.257 40.905 42.059 0.172 0.000 0.904 691 L HN 0.277 nan 8.230 nan 0.000 0.435 692 Q N -1.251 118.617 119.800 0.113 0.000 2.291 692 Q HA -0.117 4.223 4.340 0.001 0.000 0.205 692 Q C 2.097 178.120 176.000 0.038 0.000 0.970 692 Q CA 1.370 57.210 55.803 0.061 0.000 0.876 692 Q CB -0.064 28.686 28.738 0.020 0.000 0.935 692 Q HN 0.624 nan 8.270 nan 0.000 0.455 693 S N -1.014 114.694 115.700 0.014 0.000 2.562 693 S HA -0.050 4.421 4.470 0.001 0.000 0.221 693 S C 0.885 175.355 174.600 -0.216 0.000 0.975 693 S CA 0.241 58.380 58.200 -0.101 0.000 0.918 693 S CB -0.010 63.109 63.200 -0.134 0.000 0.772 693 S HN 0.341 nan 8.310 nan 0.000 0.531 694 Y N 1.770 122.113 120.300 0.072 0.000 2.524 694 Y HA 0.298 4.848 4.550 0.001 0.000 0.266 694 Y C 0.238 176.163 175.900 0.042 0.000 1.180 694 Y CA -0.930 57.204 58.100 0.056 0.000 1.244 694 Y CB -0.088 38.410 38.460 0.064 0.000 1.125 694 Y HN 0.151 nan 8.280 nan 0.000 0.524 695 D N 0.091 120.572 120.400 0.135 0.000 2.945 695 D HA -0.183 4.458 4.640 0.001 0.000 0.225 695 D C -0.434 175.917 176.300 0.086 0.000 1.158 695 D CA 0.745 54.797 54.000 0.086 0.000 0.805 695 D CB -0.695 40.145 40.800 0.067 0.000 1.098 695 D HN 0.404 nan 8.370 nan 0.000 0.426 696 E N -0.143 120.125 120.200 0.113 0.000 2.398 696 E HA 0.247 4.598 4.350 0.001 0.000 0.263 696 E C 0.745 177.377 176.600 0.053 0.000 1.046 696 E CA -0.141 56.310 56.400 0.085 0.000 0.908 696 E CB 0.775 30.538 29.700 0.106 0.000 0.963 696 E HN 0.192 nan 8.360 nan 0.000 0.431 697 I N 2.078 122.667 120.570 0.032 0.000 2.307 697 I HA 0.067 4.237 4.170 0.001 0.000 0.289 697 I C 0.148 176.277 176.117 0.019 0.000 1.021 697 I CA 0.095 61.404 61.300 0.014 0.000 1.224 697 I CB 1.024 39.020 38.000 -0.008 0.000 1.376 697 I HN 0.147 nan 8.210 nan 0.000 0.470 698 T N 5.795 120.362 114.554 0.021 0.000 2.767 698 T HA 0.718 5.069 4.350 0.001 0.000 0.284 698 T C 0.039 174.747 174.700 0.015 0.000 0.973 698 T CA -0.642 61.475 62.100 0.027 0.000 0.996 698 T CB 1.309 70.198 68.868 0.035 0.000 0.927 698 T HN 0.591 nan 8.240 nan 0.000 0.456 699 A N 3.769 126.600 122.820 0.019 0.000 2.292 699 A HA 0.808 5.129 4.320 0.001 0.000 0.319 699 A C -0.383 177.217 177.584 0.026 0.000 1.206 699 A CA -0.742 51.303 52.037 0.013 0.000 0.835 699 A CB 0.628 19.630 19.000 0.003 0.000 1.164 699 A HN 0.770 nan 8.150 nan 0.000 0.505 700 M N 2.842 122.452 119.600 0.017 0.000 2.327 700 M HA 0.482 4.963 4.480 0.001 0.000 0.298 700 M C 0.116 176.426 176.300 0.018 0.000 1.065 700 M CA -0.100 55.211 55.300 0.019 0.000 0.916 700 M CB 1.953 34.555 32.600 0.003 0.000 1.630 700 M HN 0.801 nan 8.290 nan 0.000 0.442 701 T N 1.372 115.944 114.554 0.030 0.000 2.874 701 T HA 0.959 5.310 4.350 0.001 0.000 0.281 701 T C 0.199 174.907 174.700 0.013 0.000 0.994 701 T CA -0.052 62.065 62.100 0.029 0.000 1.015 701 T CB 1.252 70.151 68.868 0.051 0.000 1.028 701 T HN 1.138 nan 8.240 nan 0.000 0.523 702 G N 0.123 108.929 108.800 0.010 0.000 2.489 702 G HA2 0.493 4.454 3.960 0.001 0.000 0.291 702 G HA3 0.493 4.454 3.960 0.001 0.000 0.291 702 G C -0.712 174.190 174.900 0.004 0.000 1.487 702 G CA -0.164 44.937 45.100 0.001 0.000 0.795 702 G HN 0.763 nan 8.290 nan 0.000 0.513 703 D N -1.168 119.231 120.400 -0.001 0.000 2.266 703 D HA 0.213 4.853 4.640 0.001 0.000 0.304 703 D C 0.954 177.254 176.300 -0.001 0.000 1.080 703 D CA 0.824 54.826 54.000 0.004 0.000 0.850 703 D CB 0.467 41.272 40.800 0.008 0.000 1.515 703 D HN 0.895 nan 8.370 nan 0.000 0.531 704 G N 0.485 109.276 108.800 -0.016 0.000 2.667 704 G HA2 0.447 4.407 3.960 0.001 0.000 0.310 704 G HA3 0.447 4.407 3.960 0.001 0.000 0.310 704 G C 0.938 175.810 174.900 -0.047 0.000 1.259 704 G CA -0.289 44.791 45.100 -0.034 0.000 1.019 704 G HN -0.090 nan 8.290 nan 0.000 0.496 705 V N 1.394 121.256 119.914 -0.086 0.000 2.469 705 V HA -0.200 3.921 4.120 0.001 0.000 0.251 705 V C 2.709 178.750 176.094 -0.088 0.000 1.064 705 V CA 2.020 64.262 62.300 -0.096 0.000 1.066 705 V CB -0.618 31.088 31.823 -0.194 0.000 0.667 705 V HN 0.853 nan 8.190 nan 0.000 0.461 706 N N -0.197 118.442 118.700 -0.101 0.000 2.453 706 N HA -0.179 4.561 4.740 0.001 0.000 0.183 706 N C 1.073 176.543 175.510 -0.068 0.000 1.041 706 N CA 1.393 54.386 53.050 -0.095 0.000 0.900 706 N CB -0.326 38.097 38.487 -0.107 0.000 0.961 706 N HN 0.458 nan 8.380 nan 0.000 0.443 707 D N 0.868 121.237 120.400 -0.052 0.000 2.333 707 D HA 0.148 4.788 4.640 0.001 0.000 0.208 707 D C 1.821 178.100 176.300 -0.034 0.000 0.984 707 D CA 0.327 54.303 54.000 -0.039 0.000 0.873 707 D CB 0.164 40.948 40.800 -0.026 0.000 0.935 707 D HN 0.344 nan 8.370 nan 0.000 0.521 708 A N 2.076 124.876 122.820 -0.034 0.000 1.908 708 A HA -0.136 4.184 4.320 0.001 0.000 0.218 708 A C -0.239 177.328 177.584 -0.028 0.000 1.181 708 A CA 1.283 53.305 52.037 -0.025 0.000 0.627 708 A CB -1.401 17.588 19.000 -0.019 0.000 0.818 708 A HN 0.171 nan 8.150 nan 0.000 0.445 709 P HA -0.132 nan 4.420 nan 0.000 0.215 709 P C 1.734 179.010 177.300 -0.040 0.000 1.153 709 P CA 2.040 65.117 63.100 -0.039 0.000 0.853 709 P CB -0.120 31.551 31.700 -0.048 0.000 0.788 710 A N -0.911 121.884 122.820 -0.042 0.000 1.929 710 A HA -0.109 4.211 4.320 0.001 0.000 0.216 710 A C 2.218 179.784 177.584 -0.030 0.000 1.176 710 A CA 1.183 53.196 52.037 -0.041 0.000 0.628 710 A CB -1.589 17.384 19.000 -0.045 0.000 0.816 710 A HN 0.094 nan 8.150 nan 0.000 0.444 711 L N -0.737 120.471 121.223 -0.025 0.000 2.083 711 L HA -0.180 4.161 4.340 0.001 0.000 0.209 711 L C 2.620 179.479 176.870 -0.018 0.000 1.083 711 L CA 1.864 56.693 54.840 -0.018 0.000 0.752 711 L CB -0.334 41.717 42.059 -0.014 0.000 0.899 711 L HN 0.416 nan 8.230 nan 0.000 0.433 712 K N 0.313 120.700 120.400 -0.021 0.000 2.097 712 K HA -0.205 4.116 4.320 0.001 0.000 0.205 712 K C 2.231 178.817 176.600 -0.022 0.000 1.050 712 K CA 1.199 57.474 56.287 -0.020 0.000 0.938 712 K CB 0.115 32.602 32.500 -0.021 0.000 0.718 712 K HN 0.090 nan 8.250 nan 0.000 0.442 713 K N 0.272 120.656 120.400 -0.026 0.000 2.116 713 K HA 0.050 4.371 4.320 0.001 0.000 0.203 713 K C 0.196 176.783 176.600 -0.022 0.000 1.052 713 K CA 0.468 56.738 56.287 -0.028 0.000 0.952 713 K CB 0.036 32.513 32.500 -0.038 0.000 0.729 713 K HN 0.149 nan 8.250 nan 0.000 0.446 714 A N 1.468 124.277 122.820 -0.019 0.000 2.483 714 A HA 0.009 4.329 4.320 0.001 0.000 0.238 714 A C 0.533 178.110 177.584 -0.010 0.000 1.070 714 A CA -0.129 51.901 52.037 -0.011 0.000 0.770 714 A CB 0.362 19.358 19.000 -0.008 0.000 1.008 714 A HN 0.332 nan 8.150 nan 0.000 0.497 715 E N 0.486 120.682 120.200 -0.007 0.000 2.085 715 E HA -0.118 4.233 4.350 0.001 0.000 0.194 715 E C -0.247 176.345 176.600 -0.013 0.000 0.994 715 E CA 1.533 57.926 56.400 -0.011 0.000 0.801 715 E CB -0.218 29.476 29.700 -0.010 0.000 0.743 715 E HN 0.618 nan 8.360 nan 0.000 0.453 716 I N 0.219 120.782 120.570 -0.011 0.000 2.464 716 I HA 0.298 4.468 4.170 0.001 0.000 0.277 716 I C 0.272 176.383 176.117 -0.010 0.000 1.040 716 I CA -0.519 60.773 61.300 -0.013 0.000 1.153 716 I CB 1.733 39.722 38.000 -0.017 0.000 1.274 716 I HN -0.128 nan 8.210 nan 0.000 0.469 717 G N 6.813 115.607 108.800 -0.011 0.000 2.378 717 G HA2 0.592 4.552 3.960 0.001 0.000 0.255 717 G HA3 0.592 4.552 3.960 0.001 0.000 0.255 717 G C -0.283 174.612 174.900 -0.008 0.000 1.270 717 G CA -0.185 44.909 45.100 -0.009 0.000 0.876 717 G HN 0.527 nan 8.290 nan 0.000 0.521 718 I N 2.053 122.621 120.570 -0.003 0.000 2.410 718 I HA 0.458 4.629 4.170 0.001 0.000 0.286 718 I C 0.455 176.574 176.117 0.003 0.000 1.009 718 I CA -0.697 60.602 61.300 -0.002 0.000 1.111 718 I CB 1.868 39.867 38.000 -0.003 0.000 1.262 718 I HN 0.548 nan 8.210 nan 0.000 0.443 719 A N 7.526 130.347 122.820 0.002 0.000 2.306 719 A HA 0.832 5.152 4.320 0.001 0.000 0.330 719 A C -0.145 177.444 177.584 0.008 0.000 1.146 719 A CA -0.696 51.344 52.037 0.005 0.000 0.827 719 A CB 0.998 20.001 19.000 0.004 0.000 1.178 719 A HN 0.599 nan 8.150 nan 0.000 0.490 720 M N 1.812 121.419 119.600 0.012 0.000 2.235 720 M HA 0.196 4.677 4.480 0.001 0.000 0.351 720 M C 1.588 177.895 176.300 0.012 0.000 1.178 720 M CA -0.036 55.273 55.300 0.015 0.000 1.143 720 M CB 0.484 33.096 32.600 0.019 0.000 1.530 720 M HN 0.924 nan 8.290 nan 0.000 0.461 721 G N 1.458 110.265 108.800 0.011 0.000 2.450 721 G HA2 -0.194 3.767 3.960 0.001 0.000 0.220 721 G HA3 -0.194 3.767 3.960 0.001 0.000 0.220 721 G C 1.277 176.183 174.900 0.011 0.000 1.130 721 G CA 1.282 46.387 45.100 0.009 0.000 0.760 721 G HN 0.760 nan 8.290 nan 0.000 0.557 722 S N -0.029 115.679 115.700 0.014 0.000 2.593 722 S HA 0.415 4.886 4.470 0.001 0.000 0.217 722 S C 1.312 175.923 174.600 0.019 0.000 0.966 722 S CA 0.254 58.463 58.200 0.016 0.000 0.914 722 S CB 0.284 63.494 63.200 0.017 0.000 0.776 722 S HN 0.487 nan 8.310 nan 0.000 0.523 723 G N 1.738 110.549 108.800 0.019 0.000 2.525 723 G HA2 0.463 4.424 3.960 0.001 0.000 0.287 723 G HA3 0.463 4.424 3.960 0.001 0.000 0.287 723 G C 0.070 174.988 174.900 0.031 0.000 1.350 723 G CA -0.147 44.966 45.100 0.022 0.000 1.039 723 G HN 0.454 nan 8.290 nan 0.000 0.513 724 T N -2.902 111.676 114.554 0.040 0.000 2.860 724 T HA 0.424 4.775 4.350 0.001 0.000 0.299 724 T C 1.612 176.348 174.700 0.060 0.000 1.045 724 T CA 0.421 62.564 62.100 0.071 0.000 1.071 724 T CB 1.380 70.306 68.868 0.098 0.000 0.985 724 T HN 0.871 nan 8.240 nan 0.000 0.537 725 A N 1.783 124.644 122.820 0.069 0.000 1.930 725 A HA 0.045 4.366 4.320 0.001 0.000 0.217 725 A C 2.402 180.014 177.584 0.048 0.000 1.175 725 A CA 1.391 53.452 52.037 0.040 0.000 0.627 725 A CB -1.134 17.875 19.000 0.016 0.000 0.815 725 A HN 0.751 nan 8.150 nan 0.000 0.443 726 V N -0.030 119.939 119.914 0.092 0.000 2.255 726 V HA -0.305 3.816 4.120 0.001 0.000 0.247 726 V C 3.089 179.208 176.094 0.042 0.000 1.051 726 V CA 2.098 64.449 62.300 0.085 0.000 1.018 726 V CB -1.271 30.640 31.823 0.147 0.000 0.641 726 V HN 0.624 nan 8.190 nan 0.000 0.445 727 A N -0.422 122.419 122.820 0.035 0.000 1.908 727 A HA -0.283 4.038 4.320 0.001 0.000 0.218 727 A C 2.275 179.865 177.584 0.010 0.000 1.181 727 A CA 2.210 54.256 52.037 0.015 0.000 0.627 727 A CB -0.476 18.531 19.000 0.011 0.000 0.818 727 A HN 0.586 nan 8.150 nan 0.000 0.445 728 K N -0.720 119.688 120.400 0.013 0.000 2.057 728 K HA -0.115 4.206 4.320 0.001 0.000 0.207 728 K C 2.161 178.760 176.600 -0.001 0.000 1.049 728 K CA 1.791 58.080 56.287 0.005 0.000 0.931 728 K CB -0.439 32.064 32.500 0.005 0.000 0.714 728 K HN 0.735 nan 8.250 nan 0.000 0.440 729 T N -1.284 113.270 114.554 0.001 0.000 3.035 729 T HA 0.053 4.404 4.350 0.001 0.000 0.268 729 T C 1.833 176.528 174.700 -0.008 0.000 1.109 729 T CA 0.807 62.904 62.100 -0.006 0.000 1.119 729 T CB 0.021 68.886 68.868 -0.005 0.000 0.900 729 T HN 0.133 nan 8.240 nan 0.000 0.503 730 A N 0.676 123.494 122.820 -0.004 0.000 2.251 730 A HA 0.513 4.833 4.320 0.001 0.000 0.209 730 A C 1.236 178.813 177.584 -0.011 0.000 1.187 730 A CA -0.347 51.686 52.037 -0.008 0.000 0.823 730 A CB -0.017 18.980 19.000 -0.006 0.000 0.846 730 A HN 0.444 nan 8.150 nan 0.000 0.486 731 S N -0.748 114.945 115.700 -0.010 0.000 2.638 731 S HA 0.406 4.877 4.470 0.001 0.000 0.298 731 S C 0.366 174.957 174.600 -0.014 0.000 1.111 731 S CA -0.474 57.719 58.200 -0.011 0.000 1.027 731 S CB 1.550 64.745 63.200 -0.008 0.000 1.064 731 S HN 0.323 nan 8.310 nan 0.000 0.525 732 E N 0.693 120.885 120.200 -0.014 0.000 2.230 732 E HA 0.195 4.546 4.350 0.001 0.000 0.192 732 E C 0.301 176.892 176.600 -0.015 0.000 0.987 732 E CA 0.590 56.981 56.400 -0.016 0.000 0.841 732 E CB 0.231 29.922 29.700 -0.016 0.000 0.783 732 E HN 0.531 nan 8.360 nan 0.000 0.481 733 M N -0.060 119.532 119.600 -0.014 0.000 2.484 733 M HA 0.428 4.909 4.480 0.001 0.000 0.289 733 M C -1.826 174.467 176.300 -0.011 0.000 1.206 733 M CA -0.782 54.510 55.300 -0.014 0.000 0.892 733 M CB 2.018 34.606 32.600 -0.019 0.000 1.712 733 M HN -0.285 nan 8.290 nan 0.000 0.462 734 V N 5.029 124.937 119.914 -0.010 0.000 2.487 734 V HA 0.445 4.566 4.120 0.001 0.000 0.298 734 V C -0.577 175.513 176.094 -0.007 0.000 1.028 734 V CA -0.706 61.590 62.300 -0.006 0.000 0.860 734 V CB 1.852 33.672 31.823 -0.004 0.000 0.991 734 V HN 0.798 nan 8.190 nan 0.000 0.427 735 L N 4.185 125.406 121.223 -0.003 0.000 2.295 735 L HA 0.387 4.728 4.340 0.001 0.000 0.288 735 L C 1.566 178.437 176.870 0.002 0.000 1.079 735 L CA -0.200 54.638 54.840 -0.003 0.000 0.830 735 L CB 1.070 43.130 42.059 0.002 0.000 1.200 735 L HN 0.850 nan 8.230 nan 0.000 0.438 736 A N 2.915 125.735 122.820 -0.000 0.000 1.902 736 A HA -0.193 4.128 4.320 0.001 0.000 0.217 736 A C 1.625 179.212 177.584 0.006 0.000 1.181 736 A CA 1.854 53.892 52.037 0.002 0.000 0.623 736 A CB -0.259 18.741 19.000 -0.000 0.000 0.818 736 A HN 0.869 nan 8.150 nan 0.000 0.443 737 D N -2.513 117.891 120.400 0.007 0.000 2.349 737 D HA 0.114 4.754 4.640 0.001 0.000 0.214 737 D C -0.269 176.042 176.300 0.019 0.000 1.063 737 D CA 0.650 54.656 54.000 0.011 0.000 0.847 737 D CB -0.193 40.613 40.800 0.010 0.000 0.933 737 D HN 0.302 nan 8.370 nan 0.000 0.513 738 D N -0.408 120.004 120.400 0.020 0.000 2.978 738 D HA -0.230 4.411 4.640 0.001 0.000 0.205 738 D C -0.328 176.000 176.300 0.047 0.000 1.093 738 D CA 0.819 54.837 54.000 0.030 0.000 1.006 738 D CB -2.135 38.683 40.800 0.031 0.000 1.116 738 D HN 0.552 nan 8.370 nan 0.000 0.419 739 N N -0.536 118.190 118.700 0.043 0.000 2.458 739 N HA 0.211 4.952 4.740 0.001 0.000 0.270 739 N C 1.130 176.692 175.510 0.087 0.000 1.102 739 N CA -0.422 52.670 53.050 0.069 0.000 0.967 739 N CB 0.286 38.801 38.487 0.047 0.000 1.078 739 N HN -0.039 nan 8.380 nan 0.000 0.471 740 F N 3.153 123.099 119.950 -0.007 0.000 2.147 740 F HA -0.243 4.285 4.527 0.001 0.000 0.301 740 F C 2.087 177.883 175.800 -0.007 0.000 1.084 740 F CA 1.559 59.554 58.000 -0.008 0.000 1.268 740 F CB -0.101 38.892 39.000 -0.012 0.000 1.009 740 F HN 0.468 nan 8.300 nan 0.000 0.486 741 S N -0.597 115.110 115.700 0.013 0.000 2.419 741 S HA -0.176 4.295 4.470 0.001 0.000 0.233 741 S C 1.879 176.397 174.600 -0.138 0.000 1.016 741 S CA 1.528 59.684 58.200 -0.074 0.000 0.974 741 S CB -0.577 62.642 63.200 0.032 0.000 0.786 741 S HN 0.511 nan 8.310 nan 0.000 0.492 742 T N 2.629 117.119 114.554 -0.106 0.000 2.821 742 T HA 0.042 4.393 4.350 0.001 0.000 0.267 742 T C 1.707 176.321 174.700 -0.144 0.000 1.046 742 T CA 0.950 62.994 62.100 -0.092 0.000 1.139 742 T CB -0.369 68.469 68.868 -0.050 0.000 0.871 742 T HN 0.360 nan 8.240 nan 0.000 0.454 743 I N 0.936 121.367 120.570 -0.232 0.000 2.127 743 I HA -0.179 3.992 4.170 0.001 0.000 0.241 743 I C 2.491 178.447 176.117 -0.267 0.000 1.075 743 I CA 1.090 62.230 61.300 -0.265 0.000 1.334 743 I CB -0.655 37.115 38.000 -0.383 0.000 1.040 743 I HN 0.081 nan 8.210 nan 0.000 0.405 744 V N 1.116 120.806 119.914 -0.372 0.000 2.343 744 V HA -0.287 3.834 4.120 0.001 0.000 0.247 744 V C 2.704 178.717 176.094 -0.135 0.000 1.051 744 V CA 2.021 64.168 62.300 -0.254 0.000 1.036 744 V CB -1.063 30.607 31.823 -0.254 0.000 0.654 744 V HN 0.519 nan 8.190 nan 0.000 0.451 745 A N -0.227 122.523 122.820 -0.117 0.000 2.015 745 A HA -0.013 4.307 4.320 0.001 0.000 0.219 745 A C 2.342 179.894 177.584 -0.055 0.000 1.163 745 A CA 1.818 53.815 52.037 -0.066 0.000 0.646 745 A CB -0.534 18.435 19.000 -0.052 0.000 0.806 745 A HN 0.564 nan 8.150 nan 0.000 0.448 746 A N -0.689 122.089 122.820 -0.071 0.000 1.970 746 A HA 0.142 4.462 4.320 0.001 0.000 0.216 746 A C 2.146 179.703 177.584 -0.045 0.000 1.170 746 A CA 1.371 53.377 52.037 -0.051 0.000 0.645 746 A CB -0.615 18.351 19.000 -0.057 0.000 0.816 746 A HN 0.307 nan 8.150 nan 0.000 0.447 747 V N 0.153 120.029 119.914 -0.062 0.000 2.307 747 V HA -0.271 3.850 4.120 0.001 0.000 0.245 747 V C 2.513 178.591 176.094 -0.027 0.000 1.045 747 V CA 2.305 64.576 62.300 -0.048 0.000 1.024 747 V CB -0.692 31.095 31.823 -0.061 0.000 0.651 747 V HN 0.785 nan 8.190 nan 0.000 0.449 748 E N 0.228 120.411 120.200 -0.027 0.000 2.038 748 E HA -0.324 4.026 4.350 0.001 0.000 0.195 748 E C 2.206 178.808 176.600 0.003 0.000 1.000 748 E CA 1.817 58.211 56.400 -0.010 0.000 0.803 748 E CB -0.126 29.567 29.700 -0.012 0.000 0.750 748 E HN 0.574 nan 8.360 nan 0.000 0.448 749 E N -0.182 120.017 120.200 -0.000 0.000 2.085 749 E HA -0.144 4.207 4.350 0.001 0.000 0.194 749 E C 1.843 178.458 176.600 0.024 0.000 0.994 749 E CA 1.656 58.063 56.400 0.012 0.000 0.801 749 E CB -0.736 28.966 29.700 0.005 0.000 0.743 749 E HN 0.393 nan 8.360 nan 0.000 0.453 750 G N 0.032 108.842 108.800 0.016 0.000 2.422 750 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 750 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 750 G C 1.636 176.567 174.900 0.053 0.000 1.146 750 G CA 0.746 45.863 45.100 0.028 0.000 0.769 750 G HN 0.195 nan 8.290 nan 0.000 0.547 751 R N 0.392 120.915 120.500 0.038 0.000 2.081 751 R HA 0.016 4.357 4.340 0.001 0.000 0.235 751 R C 3.010 179.359 176.300 0.082 0.000 1.131 751 R CA 1.190 57.325 56.100 0.059 0.000 0.960 751 R CB -0.325 29.994 30.300 0.032 0.000 0.856 751 R HN 0.357 nan 8.270 nan 0.000 0.436 752 A N 1.008 123.861 122.820 0.055 0.000 1.930 752 A HA -0.103 4.218 4.320 0.001 0.000 0.217 752 A C 2.124 179.736 177.584 0.047 0.000 1.175 752 A CA 1.046 53.111 52.037 0.047 0.000 0.627 752 A CB -0.373 18.651 19.000 0.039 0.000 0.815 752 A HN 0.162 nan 8.150 nan 0.000 0.443 753 I N -2.063 118.544 120.570 0.061 0.000 2.179 753 I HA -0.261 3.910 4.170 0.001 0.000 0.242 753 I C 2.444 178.581 176.117 0.033 0.000 1.088 753 I CA 1.695 63.031 61.300 0.060 0.000 1.357 753 I CB -0.410 37.635 38.000 0.074 0.000 1.051 753 I HN 0.503 nan 8.210 nan 0.000 0.409 754 Y N 2.251 122.525 120.300 -0.044 0.000 2.165 754 Y HA -0.315 4.236 4.550 0.001 0.000 0.286 754 Y C 2.431 178.264 175.900 -0.112 0.000 1.155 754 Y CA 1.744 59.796 58.100 -0.081 0.000 1.164 754 Y CB -0.417 38.008 38.460 -0.057 0.000 0.978 754 Y HN 0.204 nan 8.280 nan 0.000 0.513 755 N N 0.576 119.223 118.700 -0.088 0.000 2.069 755 N HA -0.202 4.539 4.740 0.001 0.000 0.191 755 N C 1.353 176.719 175.510 -0.241 0.000 1.031 755 N CA 1.647 54.605 53.050 -0.154 0.000 0.852 755 N CB -0.639 37.832 38.487 -0.027 0.000 1.018 755 N HN 0.439 nan 8.380 nan 0.000 0.423 756 N N 0.677 119.268 118.700 -0.182 0.000 2.188 756 N HA -0.010 4.730 4.740 0.001 0.000 0.184 756 N C 1.778 177.023 175.510 -0.440 0.000 1.018 756 N CA 0.639 53.583 53.050 -0.177 0.000 0.858 756 N CB -0.251 38.212 38.487 -0.040 0.000 0.989 756 N HN 0.336 nan 8.380 nan 0.000 0.426 757 M N 0.614 119.828 119.600 -0.644 0.000 2.117 757 M HA -0.133 4.348 4.480 0.001 0.000 0.262 757 M C 2.055 177.590 176.300 -1.275 0.000 1.065 757 M CA 1.295 55.783 55.300 -1.354 0.000 1.114 757 M CB -0.247 31.902 32.600 -0.752 0.000 1.361 757 M HN 0.096 nan 8.290 nan 0.000 0.408 758 K N -0.055 119.813 120.400 -0.886 0.000 2.057 758 K HA -0.188 4.133 4.320 0.001 0.000 0.207 758 K C 2.107 178.464 176.600 -0.404 0.000 1.049 758 K CA 1.228 57.133 56.287 -0.636 0.000 0.931 758 K CB 0.084 32.253 32.500 -0.551 0.000 0.714 758 K HN 0.277 nan 8.250 nan 0.000 0.440 759 Q N -0.138 119.458 119.800 -0.340 0.000 2.084 759 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 759 Q C 2.013 177.975 176.000 -0.063 0.000 0.978 759 Q CA 1.543 57.258 55.803 -0.147 0.000 0.844 759 Q CB -0.362 28.321 28.738 -0.092 0.000 0.898 759 Q HN 0.483 nan 8.270 nan 0.000 0.426 760 F N -1.261 118.642 119.950 -0.078 0.000 2.456 760 F HA 0.130 4.658 4.527 0.001 0.000 0.298 760 F C 1.879 177.664 175.800 -0.026 0.000 1.104 760 F CA 0.090 58.076 58.000 -0.022 0.000 1.435 760 F CB -0.873 38.081 39.000 -0.077 0.000 1.078 760 F HN -0.097 nan 8.300 nan 0.000 0.546 761 I N 0.905 121.410 120.570 -0.108 0.000 2.252 761 I HA -0.187 3.984 4.170 0.001 0.000 0.245 761 I C 2.604 178.641 176.117 -0.134 0.000 1.102 761 I CA 1.167 62.409 61.300 -0.096 0.000 1.385 761 I CB -0.419 37.425 38.000 -0.261 0.000 1.064 761 I HN 0.045 nan 8.210 nan 0.000 0.414 762 R N -0.371 120.049 120.500 -0.134 0.000 2.092 762 R HA -0.203 4.138 4.340 0.001 0.000 0.231 762 R C 2.362 178.499 176.300 -0.271 0.000 1.119 762 R CA 1.519 57.516 56.100 -0.172 0.000 0.970 762 R CB -0.602 29.705 30.300 0.012 0.000 0.864 762 R HN 0.369 nan 8.270 nan 0.000 0.440 763 Y N 1.679 121.861 120.300 -0.197 0.000 2.163 763 Y HA -0.140 4.410 4.550 0.001 0.000 0.288 763 Y C 1.930 177.730 175.900 -0.166 0.000 1.136 763 Y CA 1.337 59.336 58.100 -0.168 0.000 1.147 763 Y CB -0.332 38.096 38.460 -0.053 0.000 0.987 763 Y HN -0.092 nan 8.280 nan 0.000 0.509 764 L N -0.487 120.569 121.223 -0.279 0.000 2.056 764 L HA -0.185 4.156 4.340 0.001 0.000 0.207 764 L C 2.458 179.145 176.870 -0.305 0.000 1.078 764 L CA 1.291 55.920 54.840 -0.352 0.000 0.749 764 L CB -0.438 41.545 42.059 -0.126 0.000 0.901 764 L HN 0.271 nan 8.230 nan 0.000 0.433 765 I N -0.472 119.933 120.570 -0.275 0.000 2.286 765 I HA -0.255 3.915 4.170 0.001 0.000 0.245 765 I C 2.744 178.705 176.117 -0.260 0.000 1.104 765 I CA 1.366 62.521 61.300 -0.241 0.000 1.397 765 I CB -0.184 37.632 38.000 -0.307 0.000 1.072 765 I HN 0.325 nan 8.210 nan 0.000 0.417 766 S N 0.471 115.915 115.700 -0.427 0.000 2.383 766 S HA -0.225 4.246 4.470 0.001 0.000 0.229 766 S C 2.159 176.584 174.600 -0.292 0.000 1.030 766 S CA 1.446 59.367 58.200 -0.465 0.000 1.002 766 S CB -0.913 61.774 63.200 -0.855 0.000 0.829 766 S HN 0.577 nan 8.310 nan 0.000 0.467 767 S N 2.980 118.485 115.700 -0.325 0.000 2.382 767 S HA -0.175 4.296 4.470 0.001 0.000 0.228 767 S C 1.631 176.141 174.600 -0.151 0.000 1.027 767 S CA 1.370 59.422 58.200 -0.247 0.000 0.991 767 S CB -1.076 61.917 63.200 -0.344 0.000 0.823 767 S HN 0.658 nan 8.310 nan 0.000 0.469 768 N N 1.271 119.890 118.700 -0.134 0.000 2.166 768 N HA -0.019 4.721 4.740 0.001 0.000 0.186 768 N C 1.646 177.131 175.510 -0.042 0.000 1.019 768 N CA 1.307 54.322 53.050 -0.058 0.000 0.856 768 N CB -0.485 37.999 38.487 -0.005 0.000 0.993 768 N HN 0.265 nan 8.380 nan 0.000 0.426 769 V N 0.480 120.356 119.914 -0.064 0.000 2.332 769 V HA -0.210 3.910 4.120 0.001 0.000 0.248 769 V C 2.341 178.403 176.094 -0.054 0.000 1.055 769 V CA 2.153 64.415 62.300 -0.063 0.000 1.038 769 V CB -1.241 30.523 31.823 -0.099 0.000 0.651 769 V HN 0.469 nan 8.190 nan 0.000 0.450 770 G N -0.812 107.953 108.800 -0.059 0.000 2.408 770 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 770 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 770 G C 1.467 176.357 174.900 -0.017 0.000 1.150 770 G CA 0.681 45.761 45.100 -0.034 0.000 0.776 770 G HN 0.571 nan 8.290 nan 0.000 0.542 771 E N -0.076 120.110 120.200 -0.022 0.000 2.106 771 E HA -0.057 4.294 4.350 0.001 0.000 0.192 771 E C 2.685 179.294 176.600 0.014 0.000 0.984 771 E CA 0.687 57.084 56.400 -0.005 0.000 0.806 771 E CB -0.054 29.641 29.700 -0.009 0.000 0.750 771 E HN 0.283 nan 8.360 nan 0.000 0.458 772 V N 0.852 120.772 119.914 0.011 0.000 2.358 772 V HA -0.223 3.898 4.120 0.001 0.000 0.246 772 V C 2.309 178.447 176.094 0.073 0.000 1.047 772 V CA 1.227 63.545 62.300 0.030 0.000 1.035 772 V CB -0.235 31.591 31.823 0.005 0.000 0.658 772 V HN 0.136 nan 8.190 nan 0.000 0.452 773 V N -0.660 119.286 119.914 0.053 0.000 2.287 773 V HA -0.343 3.777 4.120 0.001 0.000 0.248 773 V C 2.596 178.767 176.094 0.127 0.000 1.053 773 V CA 2.280 64.640 62.300 0.100 0.000 1.027 773 V CB -0.850 31.001 31.823 0.046 0.000 0.646 773 V HN 0.808 nan 8.190 nan 0.000 0.447 774 C N 0.387 119.727 119.300 0.066 0.000 2.393 774 C HA -0.188 4.273 4.460 0.001 0.000 0.276 774 C C 2.596 177.621 174.990 0.059 0.000 1.215 774 C CA 1.221 60.269 59.018 0.049 0.000 1.743 774 C CB -1.043 26.711 27.740 0.023 0.000 2.044 774 C HN 0.522 nan 8.230 nan 0.000 0.464 775 I N 0.400 121.008 120.570 0.063 0.000 2.179 775 I HA -0.086 4.084 4.170 0.001 0.000 0.242 775 I C 2.368 178.529 176.117 0.074 0.000 1.088 775 I CA 1.695 63.023 61.300 0.047 0.000 1.357 775 I CB -1.924 36.095 38.000 0.032 0.000 1.051 775 I HN 0.404 nan 8.210 nan 0.000 0.409 776 F N 1.720 121.667 119.950 -0.004 0.000 2.134 776 F HA -0.189 4.339 4.527 0.001 0.000 0.299 776 F C 2.416 178.234 175.800 0.031 0.000 1.097 776 F CA 1.526 59.533 58.000 0.013 0.000 1.264 776 F CB -0.342 38.667 39.000 0.015 0.000 1.001 776 F HN -0.099 nan 8.300 nan 0.000 0.479 777 L N -0.595 120.642 121.223 0.024 0.000 2.017 777 L HA -0.255 4.086 4.340 0.001 0.000 0.208 777 L C 2.640 179.457 176.870 -0.088 0.000 1.073 777 L CA 2.079 56.885 54.840 -0.056 0.000 0.745 777 L CB -1.036 41.051 42.059 0.047 0.000 0.894 777 L HN 0.265 nan 8.230 nan 0.000 0.432 778 T N -0.963 113.573 114.554 -0.030 0.000 2.867 778 T HA -0.099 4.251 4.350 0.001 0.000 0.268 778 T C 1.718 176.436 174.700 0.031 0.000 1.057 778 T CA 1.240 63.348 62.100 0.014 0.000 1.136 778 T CB 0.061 68.954 68.868 0.042 0.000 0.874 778 T HN 0.412 nan 8.240 nan 0.000 0.466 779 A N 0.324 123.110 122.820 -0.056 0.000 2.016 779 A HA 0.492 4.813 4.320 0.001 0.000 0.217 779 A C 2.584 180.121 177.584 -0.080 0.000 1.162 779 A CA 1.444 53.461 52.037 -0.033 0.000 0.662 779 A CB -0.863 18.073 19.000 -0.107 0.000 0.812 779 A HN 0.618 nan 8.150 nan 0.000 0.450 780 A N -0.458 122.185 122.820 -0.294 0.000 1.930 780 A HA 0.221 4.542 4.320 0.001 0.000 0.215 780 A C 1.763 179.278 177.584 -0.115 0.000 1.176 780 A CA 0.961 52.807 52.037 -0.318 0.000 0.632 780 A CB -0.312 18.308 19.000 -0.632 0.000 0.819 780 A HN 0.410 nan 8.150 nan 0.000 0.445 781 L N -0.770 120.410 121.223 -0.070 0.000 2.628 781 L HA 0.235 4.575 4.340 0.001 0.000 0.229 781 L C 1.494 178.378 176.870 0.023 0.000 1.137 781 L CA 0.365 55.199 54.840 -0.011 0.000 0.909 781 L CB -0.243 41.813 42.059 -0.006 0.000 1.137 781 L HN 0.530 nan 8.230 nan 0.000 0.470 782 G N 1.131 109.965 108.800 0.057 0.000 2.233 782 G HA2 -0.303 3.658 3.960 0.001 0.000 0.270 782 G HA3 -0.303 3.658 3.960 0.001 0.000 0.270 782 G C 0.256 175.181 174.900 0.041 0.000 1.011 782 G CA 0.215 45.353 45.100 0.063 0.000 0.762 782 G HN 0.287 nan 8.290 nan 0.000 0.511 783 L N 0.185 121.456 121.223 0.079 0.000 2.466 783 L HA 0.423 4.764 4.340 0.001 0.000 0.257 783 L C -1.475 175.468 176.870 0.122 0.000 1.189 783 L CA -2.106 52.758 54.840 0.040 0.000 0.813 783 L CB 0.491 42.568 42.059 0.029 0.000 1.118 783 L HN -0.084 nan 8.230 nan 0.000 0.471 784 P HA 0.044 nan 4.420 nan 0.000 0.272 784 P C -1.059 176.336 177.300 0.159 0.000 1.223 784 P CA -0.412 62.770 63.100 0.138 0.000 0.784 784 P CB 0.351 32.077 31.700 0.043 0.000 0.923 785 E N 1.109 121.406 120.200 0.162 0.000 2.491 785 E HA 0.010 4.360 4.350 0.001 0.000 0.250 785 E C 0.871 177.526 176.600 0.092 0.000 1.061 785 E CA 0.025 56.483 56.400 0.096 0.000 0.942 785 E CB 0.352 30.088 29.700 0.060 0.000 0.957 785 E HN 0.424 nan 8.360 nan 0.000 0.480 786 A N 4.910 127.776 122.820 0.077 0.000 2.016 786 A HA 0.034 4.354 4.320 0.001 0.000 0.217 786 A C 0.758 178.358 177.584 0.026 0.000 1.162 786 A CA 0.693 52.767 52.037 0.061 0.000 0.662 786 A CB 0.302 19.338 19.000 0.060 0.000 0.812 786 A HN 0.511 nan 8.150 nan 0.000 0.450 787 L N 0.418 121.658 121.223 0.028 0.000 2.436 787 L HA 0.524 4.865 4.340 0.001 0.000 0.268 787 L C -0.774 176.115 176.870 0.031 0.000 0.974 787 L CA -0.809 54.047 54.840 0.027 0.000 0.826 787 L CB 2.170 44.246 42.059 0.028 0.000 1.291 787 L HN 0.421 nan 8.230 nan 0.000 0.406 788 I N -0.384 120.210 120.570 0.041 0.000 2.607 788 I HA 0.535 4.705 4.170 0.001 0.000 0.305 788 I C -2.031 174.123 176.117 0.062 0.000 0.995 788 I CA -2.198 59.127 61.300 0.041 0.000 1.148 788 I CB 1.550 39.570 38.000 0.033 0.000 1.323 788 I HN 0.293 nan 8.210 nan 0.000 0.461 789 P HA -0.185 nan 4.420 nan 0.000 0.216 789 P C 1.803 179.165 177.300 0.102 0.000 1.154 789 P CA 1.219 64.357 63.100 0.064 0.000 0.865 789 P CB 0.042 31.770 31.700 0.046 0.000 0.789 790 V N -0.605 119.367 119.914 0.096 0.000 2.343 790 V HA -0.294 3.827 4.120 0.001 0.000 0.247 790 V C 2.502 178.789 176.094 0.320 0.000 1.051 790 V CA 1.922 64.299 62.300 0.129 0.000 1.036 790 V CB -1.255 30.549 31.823 -0.030 0.000 0.654 790 V HN 0.192 nan 8.190 nan 0.000 0.451 791 Q N -0.489 119.488 119.800 0.296 0.000 2.046 791 Q HA -0.140 4.200 4.340 0.001 0.000 0.200 791 Q C 2.314 178.477 176.000 0.273 0.000 0.975 791 Q CA 1.561 57.558 55.803 0.323 0.000 0.836 791 Q CB -0.277 28.573 28.738 0.187 0.000 0.896 791 Q HN 0.527 nan 8.270 nan 0.000 0.428 792 L N 0.312 121.643 121.223 0.179 0.000 2.079 792 L HA -0.231 4.109 4.340 0.001 0.000 0.210 792 L C 2.286 179.241 176.870 0.141 0.000 1.081 792 L CA 0.974 55.891 54.840 0.128 0.000 0.752 792 L CB -0.395 41.713 42.059 0.081 0.000 0.896 792 L HN 0.263 nan 8.230 nan 0.000 0.433 793 L N -1.416 119.916 121.223 0.181 0.000 2.056 793 L HA -0.256 4.085 4.340 0.001 0.000 0.207 793 L C 2.477 179.480 176.870 0.221 0.000 1.078 793 L CA 1.356 56.300 54.840 0.174 0.000 0.749 793 L CB -0.600 41.567 42.059 0.181 0.000 0.901 793 L HN 0.513 nan 8.230 nan 0.000 0.433 794 W N 0.344 121.736 121.300 0.152 0.000 2.358 794 W HA -0.195 4.466 4.660 0.001 0.000 0.303 794 W C 2.089 178.639 176.519 0.052 0.000 1.208 794 W CA 1.710 59.131 57.345 0.126 0.000 1.274 794 W CB -0.068 29.458 29.460 0.110 0.000 1.138 794 W HN -0.045 nan 8.180 nan 0.000 0.515 795 V N 1.868 121.872 119.914 0.150 0.000 2.307 795 V HA -0.346 3.774 4.120 0.001 0.000 0.245 795 V C 2.097 178.149 176.094 -0.070 0.000 1.045 795 V CA 2.306 64.621 62.300 0.025 0.000 1.024 795 V CB -1.001 30.867 31.823 0.075 0.000 0.651 795 V HN 0.133 nan 8.190 nan 0.000 0.449 796 N N -0.232 118.444 118.700 -0.040 0.000 2.270 796 N HA -0.042 4.699 4.740 0.001 0.000 0.181 796 N C 1.488 176.941 175.510 -0.095 0.000 1.016 796 N CA 0.866 53.877 53.050 -0.066 0.000 0.870 796 N CB -0.227 38.241 38.487 -0.031 0.000 0.979 796 N HN 0.261 nan 8.380 nan 0.000 0.431 797 L N -0.253 120.902 121.223 -0.113 0.000 2.084 797 L HA 0.084 4.425 4.340 0.001 0.000 0.202 797 L C 1.963 178.686 176.870 -0.245 0.000 1.074 797 L CA 0.957 55.709 54.840 -0.147 0.000 0.757 797 L CB -0.560 41.435 42.059 -0.107 0.000 0.918 797 L HN -0.083 nan 8.230 nan 0.000 0.444 798 V N -2.249 117.411 119.914 -0.425 0.000 2.784 798 V HA -0.049 4.071 4.120 0.001 0.000 0.231 798 V C 2.218 178.076 176.094 -0.393 0.000 1.128 798 V CA 1.312 63.280 62.300 -0.554 0.000 1.178 798 V CB -0.460 30.653 31.823 -1.183 0.000 0.943 798 V HN 0.295 nan 8.190 nan 0.000 0.500 799 T N 0.544 114.841 114.554 -0.428 0.000 2.665 799 T HA -0.215 4.135 4.350 0.001 0.000 0.268 799 T C 1.428 176.097 174.700 -0.052 0.000 1.035 799 T CA 2.098 64.103 62.100 -0.159 0.000 1.151 799 T CB -0.303 68.539 68.868 -0.042 0.000 0.862 799 T HN 0.406 nan 8.240 nan 0.000 0.438 800 D N 0.183 120.551 120.400 -0.053 0.000 2.327 800 D HA 0.155 4.795 4.640 0.001 0.000 0.205 800 D C 2.295 178.626 176.300 0.050 0.000 0.989 800 D CA 0.512 54.545 54.000 0.054 0.000 0.873 800 D CB -0.643 40.132 40.800 -0.042 0.000 0.955 800 D HN 0.447 nan 8.370 nan 0.000 0.515 801 G N 1.150 109.908 108.800 -0.070 0.000 2.442 801 G HA2 -0.192 3.769 3.960 0.001 0.000 0.219 801 G HA3 -0.192 3.769 3.960 0.001 0.000 0.219 801 G C 1.498 176.327 174.900 -0.119 0.000 1.141 801 G CA 0.338 45.370 45.100 -0.113 0.000 0.763 801 G HN 0.160 nan 8.290 nan 0.000 0.554 802 L N 1.131 122.301 121.223 -0.088 0.000 2.023 802 L HA 0.037 4.377 4.340 0.001 0.000 0.205 802 L C 0.181 177.008 176.870 -0.072 0.000 1.073 802 L CA 1.594 56.391 54.840 -0.071 0.000 0.745 802 L CB -2.007 40.034 42.059 -0.030 0.000 0.900 802 L HN 0.138 nan 8.230 nan 0.000 0.435 803 P HA -0.065 nan 4.420 nan 0.000 0.218 803 P C 1.641 178.822 177.300 -0.197 0.000 1.149 803 P CA 1.538 64.569 63.100 -0.115 0.000 0.817 803 P CB 0.059 31.685 31.700 -0.124 0.000 0.785 804 A N -0.558 122.212 122.820 -0.084 0.000 1.865 804 A HA -0.201 4.119 4.320 0.001 0.000 0.217 804 A C 2.250 179.615 177.584 -0.364 0.000 1.191 804 A CA 2.584 54.564 52.037 -0.096 0.000 0.623 804 A CB -1.941 17.033 19.000 -0.043 0.000 0.826 804 A HN 0.150 nan 8.150 nan 0.000 0.444 805 T N 0.297 114.600 114.554 -0.417 0.000 2.788 805 T HA -0.011 4.340 4.350 0.001 0.000 0.268 805 T C 2.162 176.478 174.700 -0.641 0.000 1.044 805 T CA 1.521 63.288 62.100 -0.556 0.000 1.139 805 T CB -0.434 68.195 68.868 -0.400 0.000 0.867 805 T HN 0.607 nan 8.240 nan 0.000 0.454 806 A N 1.245 123.845 122.820 -0.367 0.000 1.902 806 A HA 0.039 4.360 4.320 0.001 0.000 0.217 806 A C 2.255 179.704 177.584 -0.224 0.000 1.181 806 A CA 1.092 52.990 52.037 -0.230 0.000 0.623 806 A CB -0.846 18.163 19.000 0.015 0.000 0.818 806 A HN 0.479 nan 8.150 nan 0.000 0.443 807 L N -0.451 120.663 121.223 -0.182 0.000 2.187 807 L HA -0.150 4.191 4.340 0.001 0.000 0.213 807 L C 2.657 179.503 176.870 -0.039 0.000 1.100 807 L CA 0.801 55.595 54.840 -0.076 0.000 0.765 807 L CB -0.578 41.460 42.059 -0.036 0.000 0.904 807 L HN 0.504 nan 8.230 nan 0.000 0.437 808 G N -0.409 108.295 108.800 -0.159 0.000 2.479 808 G HA2 -0.245 3.715 3.960 0.001 0.000 0.220 808 G HA3 -0.245 3.715 3.960 0.001 0.000 0.220 808 G C 0.938 175.728 174.900 -0.184 0.000 1.115 808 G CA 0.304 45.305 45.100 -0.165 0.000 0.757 808 G HN 0.316 nan 8.290 nan 0.000 0.560 809 F N 0.752 120.671 119.950 -0.053 0.000 2.641 809 F HA 0.335 4.863 4.527 0.001 0.000 0.302 809 F C 0.548 176.354 175.800 0.010 0.000 1.098 809 F CA -1.877 56.073 58.000 -0.083 0.000 1.318 809 F CB -0.835 38.011 39.000 -0.256 0.000 1.035 809 F HN -0.135 nan 8.300 nan 0.000 0.551 810 N N 2.860 121.642 118.700 0.137 0.000 2.357 810 N HA -0.004 4.737 4.740 0.001 0.000 0.257 810 N C -2.398 173.170 175.510 0.097 0.000 1.250 810 N CA -0.840 52.268 53.050 0.097 0.000 0.862 810 N CB 0.004 38.513 38.487 0.036 0.000 1.066 810 N HN -0.021 nan 8.380 nan 0.000 0.468 811 P HA 0.110 nan 4.420 nan 0.000 0.267 811 P C -2.295 175.034 177.300 0.048 0.000 1.200 811 P CA -0.590 62.554 63.100 0.072 0.000 0.772 811 P CB 0.031 31.770 31.700 0.064 0.000 0.855 812 P HA 0.246 nan 4.420 nan 0.000 0.284 812 P C -0.785 176.529 177.300 0.025 0.000 1.258 812 P CA -0.394 62.725 63.100 0.032 0.000 0.824 812 P CB 0.611 32.331 31.700 0.034 0.000 1.038 813 D N 1.021 121.432 120.400 0.019 0.000 2.443 813 D HA 0.022 4.662 4.640 0.001 0.000 0.239 813 D C 1.448 177.757 176.300 0.016 0.000 1.136 813 D CA 0.021 54.030 54.000 0.015 0.000 0.879 813 D CB 0.632 41.439 40.800 0.012 0.000 1.195 813 D HN 0.285 nan 8.370 nan 0.000 0.443 814 L N 1.207 122.439 121.223 0.014 0.000 2.291 814 L HA -0.115 4.226 4.340 0.001 0.000 0.214 814 L C 1.602 178.479 176.870 0.011 0.000 1.120 814 L CA 0.813 55.661 54.840 0.013 0.000 0.799 814 L CB -0.217 41.849 42.059 0.012 0.000 0.925 814 L HN 0.394 nan 8.230 nan 0.000 0.446 815 D N -0.746 119.660 120.400 0.010 0.000 2.342 815 D HA -0.060 4.580 4.640 0.001 0.000 0.221 815 D C 1.886 178.193 176.300 0.011 0.000 1.101 815 D CA -0.056 53.949 54.000 0.009 0.000 0.837 815 D CB 0.054 40.858 40.800 0.007 0.000 0.938 815 D HN 0.114 nan 8.370 nan 0.000 0.508 816 I N 0.612 121.190 120.570 0.014 0.000 2.143 816 I HA -0.248 3.923 4.170 0.001 0.000 0.245 816 I C 1.594 177.719 176.117 0.013 0.000 1.068 816 I CA 1.226 62.536 61.300 0.016 0.000 1.326 816 I CB -0.246 37.765 38.000 0.018 0.000 1.028 816 I HN 0.145 nan 8.210 nan 0.000 0.412 817 M N -0.222 119.384 119.600 0.010 0.000 2.571 817 M HA 0.063 4.543 4.480 0.001 0.000 0.235 817 M C 0.258 176.564 176.300 0.009 0.000 1.216 817 M CA 0.527 55.831 55.300 0.008 0.000 0.979 817 M CB -0.718 31.885 32.600 0.006 0.000 1.616 817 M HN 0.081 nan 8.290 nan 0.000 0.469 818 D N 0.776 121.182 120.400 0.009 0.000 2.469 818 D HA 0.148 4.788 4.640 0.001 0.000 0.215 818 D C 0.449 176.754 176.300 0.008 0.000 1.154 818 D CA 0.146 54.151 54.000 0.009 0.000 0.832 818 D CB 1.161 41.965 40.800 0.007 0.000 1.008 818 D HN 0.342 nan 8.370 nan 0.000 0.506 819 R N 1.172 121.678 120.500 0.009 0.000 2.778 819 R HA 0.545 4.886 4.340 0.001 0.000 0.277 819 R C -2.860 173.445 176.300 0.009 0.000 0.977 819 R CA -1.785 54.321 56.100 0.009 0.000 0.950 819 R CB 0.394 30.701 30.300 0.012 0.000 1.165 819 R HN -0.234 nan 8.270 nan 0.000 0.474 820 P HA 0.141 nan 4.420 nan 0.000 0.271 820 P C -2.414 174.888 177.300 0.004 0.000 1.233 820 P CA -1.188 61.916 63.100 0.007 0.000 0.789 820 P CB -0.633 31.072 31.700 0.007 0.000 0.951 821 P HA 0.110 nan 4.420 nan 0.000 0.266 821 P C 0.292 177.585 177.300 -0.013 0.000 1.195 821 P CA 0.170 63.264 63.100 -0.009 0.000 0.768 821 P CB 0.262 31.957 31.700 -0.008 0.000 0.838 822 R N 2.418 122.901 120.500 -0.028 0.000 2.585 822 R HA 0.086 4.427 4.340 0.001 0.000 0.275 822 R C 0.253 176.528 176.300 -0.042 0.000 1.018 822 R CA 0.177 56.256 56.100 -0.034 0.000 1.072 822 R CB 0.162 30.419 30.300 -0.073 0.000 0.953 822 R HN 0.441 nan 8.270 nan 0.000 0.419 823 S N 4.836 120.523 115.700 -0.021 0.000 2.516 823 S HA 0.126 4.597 4.470 0.001 0.000 0.282 823 S C -1.561 173.019 174.600 -0.033 0.000 1.286 823 S CA -1.484 56.707 58.200 -0.015 0.000 1.066 823 S CB 1.064 64.266 63.200 0.004 0.000 0.884 823 S HN 0.516 nan 8.310 nan 0.000 0.491 824 P HA -0.076 nan 4.420 nan 0.000 0.217 824 P C 0.806 178.094 177.300 -0.021 0.000 1.148 824 P CA 1.126 64.198 63.100 -0.046 0.000 0.828 824 P CB 0.163 31.846 31.700 -0.028 0.000 0.783 825 K N -0.219 120.180 120.400 -0.002 0.000 2.444 825 K HA 0.024 4.345 4.320 0.001 0.000 0.193 825 K C 0.561 177.176 176.600 0.024 0.000 1.024 825 K CA 0.025 56.319 56.287 0.013 0.000 1.077 825 K CB -0.188 32.321 32.500 0.016 0.000 0.833 825 K HN 0.360 nan 8.250 nan 0.000 0.517 826 E N 2.954 123.169 120.200 0.024 0.000 2.328 826 E HA 0.037 4.388 4.350 0.001 0.000 0.265 826 E C -2.341 174.299 176.600 0.066 0.000 1.057 826 E CA -1.810 54.616 56.400 0.045 0.000 0.916 826 E CB 0.569 30.298 29.700 0.048 0.000 0.993 826 E HN -0.082 nan 8.360 nan 0.000 0.446 827 P HA 0.015 nan 4.420 nan 0.000 0.275 827 P C 0.194 177.553 177.300 0.097 0.000 1.227 827 P CA -0.238 62.911 63.100 0.082 0.000 0.781 827 P CB 0.774 32.520 31.700 0.077 0.000 0.906 828 L N 2.303 123.583 121.223 0.095 0.000 2.093 828 L HA 0.025 4.366 4.340 0.001 0.000 0.208 828 L C 0.961 177.892 176.870 0.101 0.000 1.085 828 L CA 1.680 56.566 54.840 0.076 0.000 0.755 828 L CB -0.425 41.647 42.059 0.022 0.000 0.904 828 L HN 0.374 nan 8.230 nan 0.000 0.435 829 I N -0.910 119.744 120.570 0.140 0.000 2.512 829 I HA 0.396 4.567 4.170 0.001 0.000 0.287 829 I C -0.560 175.700 176.117 0.238 0.000 1.069 829 I CA -0.217 61.208 61.300 0.209 0.000 1.056 829 I CB 1.766 39.928 38.000 0.269 0.000 1.229 829 I HN 0.000 nan 8.210 nan 0.000 0.429 830 S N 3.390 119.219 115.700 0.214 0.000 2.611 830 S HA 0.893 5.364 4.470 0.001 0.000 0.268 830 S C 0.024 174.732 174.600 0.179 0.000 1.156 830 S CA -0.193 58.107 58.200 0.167 0.000 0.817 830 S CB 1.463 64.713 63.200 0.084 0.000 1.122 830 S HN 1.380 nan 8.310 nan 0.000 0.466 831 G N 1.739 110.616 108.800 0.128 0.000 2.591 831 G HA2 -0.375 3.585 3.960 0.001 0.000 0.298 831 G HA3 -0.375 3.585 3.960 0.001 0.000 0.298 831 G C 0.856 175.929 174.900 0.288 0.000 1.195 831 G CA 0.605 45.808 45.100 0.171 0.000 0.989 831 G HN 1.356 nan 8.290 nan 0.000 0.551 832 W N 0.304 121.668 121.300 0.107 0.000 2.363 832 W HA 0.014 4.675 4.660 0.001 0.000 0.296 832 W C 2.376 178.981 176.519 0.145 0.000 1.212 832 W CA 1.986 59.411 57.345 0.133 0.000 1.260 832 W CB -0.244 29.259 29.460 0.072 0.000 1.131 832 W HN 0.451 nan 8.180 nan 0.000 0.530 833 L N 0.666 121.949 121.223 0.100 0.000 2.093 833 L HA -0.157 4.184 4.340 0.001 0.000 0.208 833 L C 2.417 179.185 176.870 -0.169 0.000 1.085 833 L CA 1.921 56.674 54.840 -0.145 0.000 0.755 833 L CB -1.542 40.495 42.059 -0.037 0.000 0.904 833 L HN -0.018 nan 8.230 nan 0.000 0.435 834 F N -0.846 119.070 119.950 -0.057 0.000 2.095 834 F HA -0.324 4.204 4.527 0.001 0.000 0.298 834 F C 2.272 178.049 175.800 -0.039 0.000 1.104 834 F CA 2.016 60.023 58.000 0.013 0.000 1.232 834 F CB -0.494 38.547 39.000 0.068 0.000 0.987 834 F HN 0.206 nan 8.300 nan 0.000 0.475 835 F N 1.102 121.016 119.950 -0.059 0.000 2.134 835 F HA -0.122 4.406 4.527 0.001 0.000 0.299 835 F C 2.489 178.014 175.800 -0.459 0.000 1.097 835 F CA 1.654 59.495 58.000 -0.264 0.000 1.264 835 F CB -0.576 38.205 39.000 -0.366 0.000 1.001 835 F HN -0.184 nan 8.300 nan 0.000 0.479 836 R N -1.155 118.959 120.500 -0.644 0.000 2.083 836 R HA -0.215 4.125 4.340 0.001 0.000 0.237 836 R C 2.028 178.050 176.300 -0.463 0.000 1.137 836 R CA 1.970 57.668 56.100 -0.670 0.000 0.951 836 R CB -0.669 29.221 30.300 -0.684 0.000 0.851 836 R HN 0.326 nan 8.270 nan 0.000 0.434 837 Y N -0.274 119.834 120.300 -0.319 0.000 2.519 837 Y HA 0.053 4.604 4.550 0.001 0.000 0.287 837 Y C 2.088 177.791 175.900 -0.329 0.000 1.128 837 Y CA 0.405 58.343 58.100 -0.270 0.000 1.282 837 Y CB -0.215 38.116 38.460 -0.215 0.000 1.027 837 Y HN 0.031 nan 8.280 nan 0.000 0.551 838 M N -0.969 118.442 119.600 -0.315 0.000 2.099 838 M HA -0.160 4.321 4.480 0.001 0.000 0.262 838 M C 2.471 178.589 176.300 -0.304 0.000 1.067 838 M CA 1.691 56.787 55.300 -0.339 0.000 1.124 838 M CB -0.388 31.976 32.600 -0.393 0.000 1.353 838 M HN 0.267 nan 8.290 nan 0.000 0.410 839 A N 0.763 123.309 122.820 -0.457 0.000 1.877 839 A HA -0.135 4.186 4.320 0.001 0.000 0.216 839 A C 1.950 179.445 177.584 -0.149 0.000 1.186 839 A CA 1.248 53.060 52.037 -0.375 0.000 0.620 839 A CB -0.672 17.989 19.000 -0.564 0.000 0.822 839 A HN 0.377 nan 8.150 nan 0.000 0.443 840 I N 0.113 120.616 120.570 -0.111 0.000 2.226 840 I HA -0.183 3.987 4.170 0.001 0.000 0.245 840 I C 2.706 178.850 176.117 0.045 0.000 1.100 840 I CA 1.543 62.849 61.300 0.008 0.000 1.374 840 I CB -2.078 35.961 38.000 0.065 0.000 1.057 840 I HN 0.348 nan 8.210 nan 0.000 0.413 841 G N 0.879 109.668 108.800 -0.017 0.000 2.440 841 G HA2 -0.203 3.758 3.960 0.001 0.000 0.218 841 G HA3 -0.203 3.758 3.960 0.001 0.000 0.218 841 G C 1.752 176.647 174.900 -0.009 0.000 1.154 841 G CA 0.922 46.004 45.100 -0.030 0.000 0.767 841 G HN 0.483 nan 8.290 nan 0.000 0.552 842 G N -0.551 108.236 108.800 -0.020 0.000 2.422 842 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 842 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 842 G C 1.609 176.533 174.900 0.040 0.000 1.140 842 G CA 1.039 46.140 45.100 0.002 0.000 0.775 842 G HN 0.442 nan 8.290 nan 0.000 0.545 843 Y N 1.041 121.311 120.300 -0.049 0.000 2.133 843 Y HA -0.080 4.471 4.550 0.001 0.000 0.287 843 Y C 2.878 178.766 175.900 -0.020 0.000 1.134 843 Y CA 1.508 59.589 58.100 -0.031 0.000 1.133 843 Y CB -0.276 38.163 38.460 -0.035 0.000 0.987 843 Y HN 0.028 nan 8.280 nan 0.000 0.502 844 V N 0.126 120.093 119.914 0.088 0.000 2.287 844 V HA -0.317 3.803 4.120 0.001 0.000 0.248 844 V C 2.599 178.660 176.094 -0.056 0.000 1.053 844 V CA 2.011 64.318 62.300 0.012 0.000 1.027 844 V CB -1.645 30.202 31.823 0.040 0.000 0.646 844 V HN 0.643 nan 8.190 nan 0.000 0.447 845 G N -0.431 108.350 108.800 -0.031 0.000 2.446 845 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 845 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 845 G C 1.748 176.622 174.900 -0.044 0.000 1.168 845 G CA 1.166 46.256 45.100 -0.016 0.000 0.771 845 G HN 0.635 nan 8.290 nan 0.000 0.551 846 A N 0.923 123.690 122.820 -0.089 0.000 1.929 846 A HA 0.383 4.704 4.320 0.001 0.000 0.216 846 A C 2.783 180.261 177.584 -0.176 0.000 1.176 846 A CA 2.014 53.983 52.037 -0.114 0.000 0.628 846 A CB -0.653 18.271 19.000 -0.126 0.000 0.816 846 A HN 0.776 nan 8.150 nan 0.000 0.444 847 A N -0.140 122.500 122.820 -0.300 0.000 1.930 847 A HA -0.076 4.245 4.320 0.001 0.000 0.217 847 A C 2.414 179.910 177.584 -0.146 0.000 1.175 847 A CA 2.426 54.282 52.037 -0.302 0.000 0.627 847 A CB -1.182 17.565 19.000 -0.422 0.000 0.815 847 A HN 0.680 nan 8.150 nan 0.000 0.443 848 T N -3.018 111.478 114.554 -0.097 0.000 2.809 848 T HA -0.047 4.304 4.350 0.001 0.000 0.260 848 T C 1.719 176.412 174.700 -0.012 0.000 1.039 848 T CA 1.248 63.319 62.100 -0.048 0.000 1.141 848 T CB -0.792 68.058 68.868 -0.030 0.000 0.869 848 T HN 0.026 nan 8.240 nan 0.000 0.437 849 V N 2.173 122.085 119.914 -0.003 0.000 2.343 849 V HA -0.031 4.089 4.120 0.001 0.000 0.247 849 V C 3.060 179.190 176.094 0.059 0.000 1.051 849 V CA 1.998 64.319 62.300 0.034 0.000 1.036 849 V CB -1.426 30.413 31.823 0.026 0.000 0.654 849 V HN 0.712 nan 8.190 nan 0.000 0.451 850 G N -0.718 108.097 108.800 0.026 0.000 2.422 850 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 850 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 850 G C 1.744 176.716 174.900 0.120 0.000 1.146 850 G CA 0.964 46.098 45.100 0.056 0.000 0.769 850 G HN 0.608 nan 8.290 nan 0.000 0.547 851 A N 1.068 123.923 122.820 0.058 0.000 1.930 851 A HA 0.343 4.664 4.320 0.001 0.000 0.217 851 A C 2.785 180.494 177.584 0.209 0.000 1.175 851 A CA 2.089 54.176 52.037 0.082 0.000 0.627 851 A CB -0.674 18.305 19.000 -0.035 0.000 0.815 851 A HN 0.679 nan 8.150 nan 0.000 0.443 852 A N -0.063 122.845 122.820 0.148 0.000 1.873 852 A HA 0.211 4.532 4.320 0.001 0.000 0.215 852 A C 2.517 180.294 177.584 0.322 0.000 1.186 852 A CA 1.970 54.100 52.037 0.154 0.000 0.616 852 A CB -1.085 18.002 19.000 0.146 0.000 0.823 852 A HN 1.044 nan 8.150 nan 0.000 0.442 853 A N -1.539 121.491 122.820 0.349 0.000 1.933 853 A HA -0.178 4.143 4.320 0.001 0.000 0.218 853 A C 1.979 179.766 177.584 0.339 0.000 1.175 853 A CA 1.590 53.847 52.037 0.368 0.000 0.628 853 A CB -0.940 18.184 19.000 0.208 0.000 0.814 853 A HN 0.890 nan 8.150 nan 0.000 0.444 854 W N -0.748 120.651 121.300 0.165 0.000 2.338 854 W HA -0.204 4.457 4.660 0.001 0.000 0.304 854 W C 2.000 178.591 176.519 0.120 0.000 1.212 854 W CA 1.863 59.311 57.345 0.172 0.000 1.264 854 W CB -0.521 29.009 29.460 0.117 0.000 1.142 854 W HN 0.487 nan 8.180 nan 0.000 0.512 855 W N 0.220 121.500 121.300 -0.033 0.000 2.355 855 W HA -0.221 4.440 4.660 0.001 0.000 0.309 855 W C 2.045 178.295 176.519 -0.450 0.000 1.206 855 W CA 2.487 59.596 57.345 -0.392 0.000 1.284 855 W CB -1.058 28.217 29.460 -0.308 0.000 1.145 855 W HN -0.103 nan 8.180 nan 0.000 0.502 856 F N -0.102 119.813 119.950 -0.057 0.000 2.202 856 F HA -0.234 4.293 4.527 0.001 0.000 0.301 856 F C 2.224 177.723 175.800 -0.502 0.000 1.082 856 F CA 1.986 59.808 58.000 -0.296 0.000 1.313 856 F CB -0.668 38.224 39.000 -0.181 0.000 1.024 856 F HN -0.069 nan 8.300 nan 0.000 0.495 857 M N -2.787 116.621 119.600 -0.320 0.000 3.093 857 M HA 0.054 4.534 4.480 0.001 0.000 0.193 857 M C 1.396 177.308 176.300 -0.646 0.000 1.571 857 M CA 0.631 55.619 55.300 -0.520 0.000 1.464 857 M CB -0.721 31.485 32.600 -0.656 0.000 0.940 857 M HN -0.184 nan 8.290 nan 0.000 0.561 858 Y N 0.973 120.981 120.300 -0.485 0.000 2.578 858 Y HA 0.368 4.919 4.550 0.001 0.000 0.297 858 Y C 1.064 176.517 175.900 -0.745 0.000 1.176 858 Y CA -0.429 57.383 58.100 -0.480 0.000 1.315 858 Y CB -0.673 37.636 38.460 -0.252 0.000 1.031 858 Y HN 0.163 nan 8.280 nan 0.000 0.524 859 A N 0.248 122.473 122.820 -0.991 0.000 2.279 859 A HA 0.263 4.584 4.320 0.001 0.000 0.303 859 A C 1.144 178.367 177.584 -0.601 0.000 1.108 859 A CA -0.568 50.814 52.037 -1.092 0.000 0.830 859 A CB 0.732 18.823 19.000 -1.515 0.000 1.106 859 A HN 0.235 nan 8.150 nan 0.000 0.493 860 E N 0.689 120.667 120.200 -0.370 0.000 2.028 860 E HA -0.144 4.207 4.350 0.001 0.000 0.191 860 E C 0.697 177.146 176.600 -0.253 0.000 0.988 860 E CA 1.445 57.715 56.400 -0.217 0.000 0.799 860 E CB -0.136 29.518 29.700 -0.076 0.000 0.755 860 E HN 0.712 nan 8.360 nan 0.000 0.447 861 D N 0.563 120.813 120.400 -0.250 0.000 2.269 861 D HA -0.019 4.622 4.640 0.001 0.000 0.208 861 D C 1.019 177.050 176.300 -0.448 0.000 0.963 861 D CA 0.563 54.449 54.000 -0.191 0.000 0.864 861 D CB -0.249 40.580 40.800 0.048 0.000 0.936 861 D HN 0.045 nan 8.370 nan 0.000 0.505 862 G N 0.971 109.199 108.800 -0.953 0.000 2.507 862 G HA2 0.331 4.292 3.960 0.001 0.000 0.271 862 G HA3 0.331 4.292 3.960 0.001 0.000 0.271 862 G C -2.439 171.978 174.900 -0.805 0.000 1.189 862 G CA -1.008 43.184 45.100 -1.513 0.000 0.859 862 G HN -0.098 nan 8.290 nan 0.000 0.542 863 P HA 0.161 nan 4.420 nan 0.000 0.249 863 P C 0.773 177.867 177.300 -0.343 0.000 1.737 863 P CA -0.228 62.658 63.100 -0.358 0.000 1.128 863 P CB 0.248 31.809 31.700 -0.233 0.000 1.942 864 G N 2.524 111.115 108.800 -0.349 0.000 2.388 864 G HA2 0.068 4.029 3.960 0.001 0.000 0.289 864 G HA3 0.068 4.029 3.960 0.001 0.000 0.289 864 G C 0.505 175.234 174.900 -0.285 0.000 0.791 864 G CA -0.198 44.704 45.100 -0.330 0.000 1.619 864 G HN 0.419 nan 8.290 nan 0.000 0.375 865 V N 1.592 121.322 119.914 -0.307 0.000 2.370 865 V HA 0.370 4.491 4.120 0.001 0.000 0.279 865 V C 0.771 176.769 176.094 -0.160 0.000 1.280 865 V CA -0.445 61.693 62.300 -0.270 0.000 1.392 865 V CB -0.549 31.129 31.823 -0.243 0.000 1.464 865 V HN 0.617 nan 8.190 nan 0.000 0.525 866 T N -1.186 113.253 114.554 -0.191 0.000 2.853 866 T HA 0.310 4.661 4.350 0.001 0.000 0.298 866 T C 0.416 175.134 174.700 0.031 0.000 0.978 866 T CA 0.349 62.240 62.100 -0.348 0.000 1.152 866 T CB -0.039 68.649 68.868 -0.300 0.000 0.914 866 T HN 0.753 nan 8.240 nan 0.000 0.539 867 Y N -0.192 120.027 120.300 -0.135 0.000 4.885 867 Y HA -0.271 4.280 4.550 0.001 0.000 0.251 867 Y C 0.954 176.773 175.900 -0.136 0.000 0.969 867 Y CA 1.571 59.631 58.100 -0.066 0.000 1.930 867 Y CB -2.668 35.775 38.460 -0.029 0.000 1.403 867 Y HN 0.873 nan 8.280 nan 0.000 0.507 868 H N 1.061 120.112 119.070 -0.033 0.000 2.790 868 H HA 0.362 4.918 4.556 0.001 0.000 0.358 868 H C 0.360 175.563 175.328 -0.208 0.000 1.103 868 H CA 0.377 56.373 56.048 -0.085 0.000 1.426 868 H CB 0.458 30.209 29.762 -0.019 0.000 1.424 868 H HN 0.045 nan 8.280 nan 0.000 0.599 869 Q N 2.546 122.179 119.800 -0.278 0.000 2.312 869 Q HA 0.161 4.502 4.340 0.001 0.000 0.263 869 Q C 0.396 176.346 176.000 -0.084 0.000 0.995 869 Q CA -0.583 55.035 55.803 -0.309 0.000 0.853 869 Q CB 2.239 30.614 28.738 -0.605 0.000 1.300 869 Q HN 0.602 nan 8.270 nan 0.000 0.448 870 L N 0.460 121.617 121.223 -0.109 0.000 2.313 870 L HA -0.037 4.304 4.340 0.001 0.000 0.214 870 L C 1.953 178.836 176.870 0.023 0.000 1.119 870 L CA 1.040 55.854 54.840 -0.044 0.000 0.809 870 L CB -0.515 41.338 42.059 -0.343 0.000 0.933 870 L HN 0.575 nan 8.230 nan 0.000 0.449 871 T N -1.505 113.055 114.554 0.009 0.000 2.684 871 T HA -0.232 4.118 4.350 0.001 0.000 0.267 871 T C 1.740 176.549 174.700 0.183 0.000 1.036 871 T CA 1.734 63.875 62.100 0.068 0.000 1.148 871 T CB -0.467 68.441 68.868 0.067 0.000 0.863 871 T HN 0.466 nan 8.240 nan 0.000 0.436 872 H N 0.198 119.336 119.070 0.113 0.000 2.252 872 H HA -0.048 4.508 4.556 0.001 0.000 0.292 872 H C 0.553 176.041 175.328 0.268 0.000 1.082 872 H CA 1.443 57.605 56.048 0.190 0.000 1.229 872 H CB -0.067 29.868 29.762 0.288 0.000 1.353 872 H HN 0.477 nan 8.280 nan 0.000 0.488 873 F N -2.087 117.958 119.950 0.157 0.000 2.641 873 F HA 0.435 4.963 4.527 0.001 0.000 0.308 873 F C -1.059 174.677 175.800 -0.107 0.000 1.105 873 F CA -1.262 56.746 58.000 0.014 0.000 0.964 873 F CB 1.286 40.289 39.000 0.005 0.000 1.294 873 F HN -0.220 nan 8.300 nan 0.000 0.442 874 M N 2.939 122.365 119.600 -0.291 0.000 3.189 874 M HA 0.252 4.733 4.480 0.001 0.000 0.365 874 M C -0.099 176.048 176.300 -0.255 0.000 1.447 874 M CA 0.201 55.179 55.300 -0.537 0.000 0.739 874 M CB 1.006 33.407 32.600 -0.332 0.000 1.411 874 M HN 0.902 nan 8.290 nan 0.000 0.494 875 Q N -0.696 119.122 119.800 0.029 0.000 2.387 875 Q HA 0.118 4.459 4.340 0.001 0.000 0.208 875 Q C 1.157 177.219 176.000 0.104 0.000 0.935 875 Q CA 0.339 56.218 55.803 0.127 0.000 0.891 875 Q CB 0.665 29.522 28.738 0.198 0.000 1.007 875 Q HN 0.646 nan 8.270 nan 0.000 0.548 876 c N 1.626 120.398 118.600 0.286 0.000 4.432 876 c HA -0.140 4.431 4.570 0.001 0.000 0.294 876 c C 0.486 174.590 174.090 0.024 0.000 1.398 876 c CA 1.012 57.443 56.329 0.169 0.000 1.988 876 c CB -2.083 40.439 42.510 0.020 0.000 1.251 876 c HN 0.636 nan 8.230 nan 0.000 0.791 877 T N -1.490 113.044 114.554 -0.033 0.000 3.393 877 T HA 0.232 4.583 4.350 0.001 0.000 0.298 877 T C 0.793 175.384 174.700 -0.182 0.000 1.004 877 T CA 0.335 62.384 62.100 -0.086 0.000 0.956 877 T CB 0.300 69.140 68.868 -0.048 0.000 1.182 877 T HN 0.744 nan 8.240 nan 0.000 0.497 878 E N 0.889 120.893 120.200 -0.327 0.000 2.684 878 E HA 0.093 4.444 4.350 0.001 0.000 0.204 878 E C -0.770 175.392 176.600 -0.731 0.000 0.900 878 E CA -0.116 55.938 56.400 -0.577 0.000 1.481 878 E CB 0.536 29.817 29.700 -0.699 0.000 1.468 878 E HN 0.171 nan 8.360 nan 0.000 0.778 879 D N 1.166 121.211 120.400 -0.592 0.000 2.737 879 D HA -0.172 4.468 4.640 0.001 0.000 0.238 879 D C 0.366 176.471 176.300 -0.324 0.000 1.157 879 D CA 0.607 54.404 54.000 -0.338 0.000 0.694 879 D CB -0.992 39.692 40.800 -0.193 0.000 1.021 879 D HN 0.377 nan 8.370 nan 0.000 0.420 880 H N -1.552 117.418 119.070 -0.166 0.000 2.344 880 H HA 0.055 4.612 4.556 0.001 0.000 0.307 880 H C -0.269 175.177 175.328 0.196 0.000 1.057 880 H CA 1.065 57.114 56.048 0.001 0.000 1.373 880 H CB -1.045 28.679 29.762 -0.064 0.000 1.421 880 H HN 0.345 nan 8.280 nan 0.000 0.532 881 P HA -0.057 nan 4.420 nan 0.000 0.217 881 P C 0.338 177.870 177.300 0.386 0.000 1.154 881 P CA 1.046 64.412 63.100 0.444 0.000 0.841 881 P CB 0.042 32.076 31.700 0.558 0.000 0.788 882 H N -1.241 117.962 119.070 0.221 0.000 2.705 882 H HA 0.236 4.792 4.556 0.001 0.000 0.291 882 H C 0.227 175.652 175.328 0.161 0.000 1.085 882 H CA -0.483 55.664 56.048 0.164 0.000 1.357 882 H CB -0.307 29.536 29.762 0.136 0.000 1.419 882 H HN -0.113 nan 8.280 nan 0.000 0.462 883 F N 2.132 122.009 119.950 -0.121 0.000 2.746 883 F HA 0.235 4.763 4.527 0.001 0.000 0.297 883 F C 0.380 176.104 175.800 -0.126 0.000 1.113 883 F CA 0.249 58.199 58.000 -0.083 0.000 1.367 883 F CB 0.745 39.719 39.000 -0.043 0.000 1.111 883 F HN 0.504 nan 8.300 nan 0.000 0.590 884 E N -0.404 119.713 120.200 -0.139 0.000 2.311 884 E HA 0.476 4.826 4.350 0.001 0.000 0.281 884 E C -0.603 175.891 176.600 -0.177 0.000 0.905 884 E CA -0.129 56.193 56.400 -0.131 0.000 0.778 884 E CB 1.443 31.117 29.700 -0.043 0.000 1.240 884 E HN 0.192 nan 8.360 nan 0.000 0.410 885 G N 2.369 111.130 108.800 -0.065 0.000 2.719 885 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 885 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 885 G C -1.249 173.729 174.900 0.131 0.000 1.201 885 G CA -0.734 44.380 45.100 0.024 0.000 0.768 885 G HN 0.453 nan 8.290 nan 0.000 0.629 886 L N 1.777 123.067 121.223 0.112 0.000 2.280 886 L HA 0.683 5.024 4.340 0.001 0.000 0.287 886 L C -0.343 176.591 176.870 0.107 0.000 1.023 886 L CA -0.536 54.371 54.840 0.112 0.000 0.819 886 L CB 1.859 43.948 42.059 0.050 0.000 1.212 886 L HN 0.693 nan 8.230 nan 0.000 0.420 887 D N 1.782 122.239 120.400 0.096 0.000 2.738 887 D HA 0.328 4.969 4.640 0.001 0.000 0.218 887 D C -0.541 175.764 176.300 0.009 0.000 1.345 887 D CA -0.339 53.684 54.000 0.040 0.000 0.943 887 D CB 1.530 42.346 40.800 0.027 0.000 1.514 887 D HN 0.438 nan 8.370 nan 0.000 0.585 888 c N 2.522 121.141 118.600 0.031 0.000 4.111 888 c HA 0.077 4.647 4.570 0.001 0.000 0.443 888 c C 1.812 175.955 174.090 0.089 0.000 1.586 888 c CA 0.161 56.497 56.329 0.012 0.000 2.085 888 c CB -0.108 42.355 42.510 -0.078 0.000 3.126 888 c HN 0.778 nan 8.230 nan 0.000 0.684 889 E N 2.393 122.646 120.200 0.089 0.000 2.516 889 E HA -0.112 4.239 4.350 0.001 0.000 0.199 889 E C 1.414 178.116 176.600 0.169 0.000 1.069 889 E CA 1.074 57.539 56.400 0.108 0.000 0.876 889 E CB -0.348 29.393 29.700 0.068 0.000 0.843 889 E HN 0.748 nan 8.360 nan 0.000 0.530 890 I N -2.535 118.168 120.570 0.222 0.000 2.830 890 I HA -0.034 4.137 4.170 0.001 0.000 0.263 890 I C 1.525 177.890 176.117 0.414 0.000 1.230 890 I CA 0.723 62.191 61.300 0.281 0.000 1.480 890 I CB -0.507 37.641 38.000 0.247 0.000 1.095 890 I HN -0.136 nan 8.210 nan 0.000 0.455 891 F N 1.756 121.799 119.950 0.156 0.000 2.494 891 F HA -0.015 4.513 4.527 0.001 0.000 0.298 891 F C 1.513 177.414 175.800 0.168 0.000 1.106 891 F CA 1.142 59.201 58.000 0.099 0.000 1.452 891 F CB -0.367 38.561 39.000 -0.119 0.000 1.085 891 F HN 0.241 nan 8.300 nan 0.000 0.569 892 E N -0.493 119.879 120.200 0.286 0.000 2.989 892 E HA 0.358 4.708 4.350 0.001 0.000 0.207 892 E C 0.071 176.720 176.600 0.082 0.000 0.989 892 E CA -0.350 56.150 56.400 0.167 0.000 1.186 892 E CB 0.407 30.179 29.700 0.120 0.000 1.141 892 E HN 0.117 nan 8.360 nan 0.000 0.454 893 A N 1.972 124.828 122.820 0.061 0.000 2.371 893 A HA 0.286 4.606 4.320 0.001 0.000 0.257 893 A C -1.442 175.982 177.584 -0.266 0.000 1.089 893 A CA -1.079 50.890 52.037 -0.114 0.000 0.794 893 A CB 0.213 19.103 19.000 -0.185 0.000 1.029 893 A HN 0.032 nan 8.150 nan 0.000 0.488 894 P HA -0.044 nan 4.420 nan 0.000 0.227 894 P C 0.547 177.574 177.300 -0.455 0.000 1.161 894 P CA 0.912 63.840 63.100 -0.287 0.000 0.788 894 P CB 0.334 31.910 31.700 -0.207 0.000 0.822 895 E N 1.010 120.777 120.200 -0.723 0.000 2.047 895 E HA -0.097 4.254 4.350 0.001 0.000 0.191 895 E C -0.522 175.436 176.600 -1.069 0.000 0.987 895 E CA 1.756 57.573 56.400 -0.971 0.000 0.799 895 E CB -1.859 27.058 29.700 -1.305 0.000 0.752 895 E HN 0.421 nan 8.360 nan 0.000 0.449 896 P HA -0.112 nan 4.420 nan 0.000 0.219 896 P C 1.184 178.263 177.300 -0.369 0.000 1.150 896 P CA 1.317 63.957 63.100 -0.766 0.000 0.814 896 P CB 0.053 31.206 31.700 -0.911 0.000 0.787 897 M N -0.884 118.519 119.600 -0.327 0.000 2.229 897 M HA -0.070 4.410 4.480 0.001 0.000 0.264 897 M C 1.917 178.105 176.300 -0.188 0.000 1.063 897 M CA 1.793 56.986 55.300 -0.178 0.000 1.114 897 M CB -1.083 31.439 32.600 -0.130 0.000 1.387 897 M HN -0.059 nan 8.290 nan 0.000 0.420 898 T N 0.372 114.759 114.554 -0.278 0.000 2.821 898 T HA -0.060 4.290 4.350 0.001 0.000 0.267 898 T C 1.862 176.394 174.700 -0.279 0.000 1.046 898 T CA 0.949 62.884 62.100 -0.276 0.000 1.139 898 T CB -0.027 68.632 68.868 -0.348 0.000 0.871 898 T HN 0.243 nan 8.240 nan 0.000 0.454 899 M N 1.347 120.774 119.600 -0.289 0.000 2.086 899 M HA -0.002 4.478 4.480 0.001 0.000 0.261 899 M C 2.823 179.025 176.300 -0.163 0.000 1.067 899 M CA 1.537 56.703 55.300 -0.223 0.000 1.116 899 M CB -1.404 31.134 32.600 -0.103 0.000 1.348 899 M HN 0.332 nan 8.290 nan 0.000 0.407 900 A N -0.098 122.651 122.820 -0.119 0.000 1.877 900 A HA -0.157 4.164 4.320 0.001 0.000 0.216 900 A C 2.232 179.776 177.584 -0.067 0.000 1.186 900 A CA 1.394 53.389 52.037 -0.071 0.000 0.620 900 A CB -0.926 18.051 19.000 -0.038 0.000 0.822 900 A HN 0.420 nan 8.150 nan 0.000 0.443 901 L N -0.009 121.176 121.223 -0.063 0.000 2.017 901 L HA -0.099 4.242 4.340 0.001 0.000 0.208 901 L C 2.521 179.357 176.870 -0.056 0.000 1.073 901 L CA 2.524 57.354 54.840 -0.017 0.000 0.745 901 L CB -0.473 41.607 42.059 0.034 0.000 0.894 901 L HN 0.288 nan 8.230 nan 0.000 0.432 902 S N -1.382 114.254 115.700 -0.107 0.000 2.419 902 S HA -0.129 4.342 4.470 0.001 0.000 0.233 902 S C 1.938 176.446 174.600 -0.154 0.000 1.016 902 S CA 1.195 59.268 58.200 -0.212 0.000 0.974 902 S CB -0.321 62.608 63.200 -0.452 0.000 0.786 902 S HN 0.326 nan 8.310 nan 0.000 0.492 903 V N 1.606 121.446 119.914 -0.124 0.000 2.323 903 V HA -0.096 4.025 4.120 0.001 0.000 0.244 903 V C 2.207 178.281 176.094 -0.032 0.000 1.041 903 V CA 1.376 63.635 62.300 -0.068 0.000 1.025 903 V CB -0.579 31.195 31.823 -0.081 0.000 0.656 903 V HN 0.362 nan 8.190 nan 0.000 0.451 904 L N 0.094 121.293 121.223 -0.040 0.000 1.971 904 L HA -0.166 4.174 4.340 0.001 0.000 0.215 904 L C 2.407 179.266 176.870 -0.018 0.000 1.072 904 L CA 2.056 56.884 54.840 -0.020 0.000 0.758 904 L CB -0.697 41.352 42.059 -0.016 0.000 0.889 904 L HN 0.127 nan 8.230 nan 0.000 0.433 905 V N -0.494 119.385 119.914 -0.059 0.000 2.282 905 V HA -0.372 3.748 4.120 0.001 0.000 0.249 905 V C 2.462 178.549 176.094 -0.011 0.000 1.057 905 V CA 2.397 64.650 62.300 -0.079 0.000 1.032 905 V CB -1.126 30.513 31.823 -0.306 0.000 0.645 905 V HN 0.629 nan 8.190 nan 0.000 0.447 906 T N -0.112 114.450 114.554 0.013 0.000 2.737 906 T HA -0.060 4.290 4.350 0.001 0.000 0.265 906 T C 1.855 176.605 174.700 0.082 0.000 1.038 906 T CA 1.605 63.754 62.100 0.082 0.000 1.144 906 T CB -0.269 68.682 68.868 0.139 0.000 0.866 906 T HN 0.322 nan 8.240 nan 0.000 0.434 907 I N 1.197 121.812 120.570 0.075 0.000 2.194 907 I HA -0.189 3.981 4.170 0.001 0.000 0.246 907 I C 2.680 178.858 176.117 0.102 0.000 1.093 907 I CA 1.219 62.575 61.300 0.094 0.000 1.355 907 I CB -0.306 37.755 38.000 0.103 0.000 1.046 907 I HN 0.158 nan 8.210 nan 0.000 0.413 908 E N 0.087 120.343 120.200 0.094 0.000 2.204 908 E HA -0.154 4.196 4.350 0.001 0.000 0.194 908 E C 2.177 178.911 176.600 0.224 0.000 0.989 908 E CA 0.984 57.478 56.400 0.156 0.000 0.824 908 E CB -0.165 29.586 29.700 0.086 0.000 0.756 908 E HN 0.420 nan 8.360 nan 0.000 0.477 909 M N -0.264 119.416 119.600 0.132 0.000 2.175 909 M HA -0.103 4.378 4.480 0.001 0.000 0.264 909 M C 2.417 178.759 176.300 0.070 0.000 1.063 909 M CA 0.787 56.143 55.300 0.093 0.000 1.119 909 M CB -1.207 31.439 32.600 0.078 0.000 1.377 909 M HN 0.154 nan 8.290 nan 0.000 0.415 910 C N 0.299 119.648 119.300 0.082 0.000 2.440 910 C HA -0.094 4.367 4.460 0.001 0.000 0.278 910 C C 2.508 177.539 174.990 0.069 0.000 1.295 910 C CA 0.922 59.978 59.018 0.063 0.000 1.738 910 C CB -1.406 26.372 27.740 0.063 0.000 1.987 910 C HN 0.590 nan 8.230 nan 0.000 0.492 911 N N 0.718 119.494 118.700 0.127 0.000 2.409 911 N HA 0.019 4.759 4.740 0.001 0.000 0.179 911 N C 1.639 177.243 175.510 0.156 0.000 1.032 911 N CA 1.054 54.208 53.050 0.174 0.000 0.898 911 N CB -0.124 38.496 38.487 0.221 0.000 0.971 911 N HN 0.454 nan 8.380 nan 0.000 0.441 912 A N 0.299 123.125 122.820 0.009 0.000 1.898 912 A HA -0.050 4.271 4.320 0.001 0.000 0.216 912 A C 2.088 179.559 177.584 -0.188 0.000 1.181 912 A CA 0.881 52.673 52.037 -0.409 0.000 0.620 912 A CB -0.656 18.041 19.000 -0.504 0.000 0.819 912 A HN 0.305 nan 8.150 nan 0.000 0.442 913 L N -0.185 120.991 121.223 -0.079 0.000 2.046 913 L HA -0.191 4.149 4.340 0.001 0.000 0.208 913 L C 2.070 178.921 176.870 -0.031 0.000 1.077 913 L CA 1.135 55.945 54.840 -0.050 0.000 0.747 913 L CB -0.737 41.307 42.059 -0.025 0.000 0.896 913 L HN 0.352 nan 8.230 nan 0.000 0.432 914 N N -0.307 118.396 118.700 0.004 0.000 2.348 914 N HA -0.129 4.612 4.740 0.001 0.000 0.185 914 N C 1.758 177.296 175.510 0.046 0.000 1.019 914 N CA 1.216 54.287 53.050 0.034 0.000 0.880 914 N CB -0.096 38.435 38.487 0.074 0.000 0.965 914 N HN 0.221 nan 8.380 nan 0.000 0.437 915 S N 0.357 116.069 115.700 0.020 0.000 2.575 915 S HA 0.228 4.699 4.470 0.001 0.000 0.215 915 S C 1.910 176.500 174.600 -0.016 0.000 0.966 915 S CA -0.270 57.945 58.200 0.025 0.000 0.911 915 S CB 0.341 63.536 63.200 -0.007 0.000 0.780 915 S HN 0.228 nan 8.310 nan 0.000 0.514 916 L N 0.842 122.044 121.223 -0.035 0.000 2.079 916 L HA -0.015 4.325 4.340 0.001 0.000 0.210 916 L C 1.202 178.059 176.870 -0.022 0.000 1.081 916 L CA 0.813 55.631 54.840 -0.036 0.000 0.752 916 L CB -0.013 42.016 42.059 -0.049 0.000 0.896 916 L HN 0.230 nan 8.230 nan 0.000 0.433 917 S N -1.912 113.781 115.700 -0.012 0.000 2.541 917 S HA 0.145 4.616 4.470 0.001 0.000 0.280 917 S C 0.538 175.148 174.600 0.017 0.000 1.112 917 S CA -0.786 57.412 58.200 -0.003 0.000 0.925 917 S CB 1.882 65.075 63.200 -0.012 0.000 1.067 917 S HN 0.228 nan 8.310 nan 0.000 0.479 918 E N 2.924 123.136 120.200 0.021 0.000 2.047 918 E HA -0.116 4.234 4.350 0.001 0.000 0.191 918 E C 0.925 177.550 176.600 0.041 0.000 0.987 918 E CA 1.618 58.040 56.400 0.037 0.000 0.799 918 E CB -0.049 29.671 29.700 0.034 0.000 0.752 918 E HN 0.818 nan 8.360 nan 0.000 0.449 919 N N -1.080 117.638 118.700 0.031 0.000 2.257 919 N HA 0.025 4.766 4.740 0.001 0.000 0.200 919 N C -0.451 175.072 175.510 0.022 0.000 1.163 919 N CA -0.338 52.732 53.050 0.034 0.000 0.891 919 N CB 0.711 39.209 38.487 0.018 0.000 1.067 919 N HN -0.038 nan 8.380 nan 0.000 0.497 920 Q N 1.190 120.996 119.800 0.009 0.000 2.314 920 Q HA 0.153 4.493 4.340 0.001 0.000 0.258 920 Q C -0.095 175.908 176.000 0.004 0.000 0.954 920 Q CA 0.102 55.905 55.803 -0.000 0.000 0.890 920 Q CB 1.544 30.273 28.738 -0.015 0.000 1.210 920 Q HN 0.046 nan 8.270 nan 0.000 0.410 921 S N 1.294 117.001 115.700 0.012 0.000 2.572 921 S HA 0.045 4.516 4.470 0.001 0.000 0.279 921 S C 1.189 175.770 174.600 -0.032 0.000 1.341 921 S CA -0.529 57.678 58.200 0.012 0.000 1.043 921 S CB 0.381 63.603 63.200 0.038 0.000 0.887 921 S HN 0.510 nan 8.310 nan 0.000 0.516 922 L N 4.018 125.214 121.223 -0.045 0.000 2.450 922 L HA -0.039 4.301 4.340 0.001 0.000 0.224 922 L C 2.155 178.952 176.870 -0.122 0.000 1.149 922 L CA 1.180 55.961 54.840 -0.100 0.000 0.816 922 L CB -0.451 41.556 42.059 -0.086 0.000 0.932 922 L HN 0.677 nan 8.230 nan 0.000 0.449 923 M N -1.773 117.789 119.600 -0.063 0.000 2.349 923 M HA -0.012 4.468 4.480 0.001 0.000 0.266 923 M C 1.960 178.231 176.300 -0.049 0.000 1.076 923 M CA 1.215 56.488 55.300 -0.045 0.000 1.126 923 M CB -0.655 31.942 32.600 -0.005 0.000 1.392 923 M HN 0.169 nan 8.290 nan 0.000 0.440 924 R N -0.650 119.820 120.500 -0.050 0.000 2.167 924 R HA 0.302 4.643 4.340 0.001 0.000 0.201 924 R C 0.660 176.914 176.300 -0.076 0.000 1.024 924 R CA 0.326 56.401 56.100 -0.043 0.000 1.053 924 R CB 0.424 30.712 30.300 -0.020 0.000 0.987 924 R HN 0.304 nan 8.270 nan 0.000 0.493 925 M N 3.318 122.855 119.600 -0.105 0.000 2.006 925 M HA 0.327 4.807 4.480 0.001 0.000 0.314 925 M C -2.513 173.637 176.300 -0.251 0.000 0.926 925 M CA -2.061 53.152 55.300 -0.146 0.000 0.906 925 M CB 1.850 34.395 32.600 -0.092 0.000 1.422 925 M HN -0.233 nan 8.290 nan 0.000 0.397 926 P HA 0.260 nan 4.420 nan 0.000 0.272 926 P C -2.602 174.309 177.300 -0.648 0.000 1.230 926 P CA -0.935 61.697 63.100 -0.781 0.000 0.788 926 P CB 0.002 30.712 31.700 -1.650 0.000 0.949 927 P HA -0.103 nan 4.420 nan 0.000 0.218 927 P C 0.952 178.199 177.300 -0.088 0.000 1.148 927 P CA 1.407 64.383 63.100 -0.207 0.000 0.822 927 P CB -0.488 31.169 31.700 -0.071 0.000 0.784 928 W N -1.886 119.421 121.300 0.011 0.000 3.077 928 W HA 0.163 4.824 4.660 0.001 0.000 0.245 928 W C 0.942 177.471 176.519 0.017 0.000 1.316 928 W CA -0.083 57.266 57.345 0.008 0.000 1.537 928 W CB -1.829 27.628 29.460 -0.004 0.000 1.131 928 W HN -0.312 nan 8.180 nan 0.000 0.695 929 V N 1.667 121.566 119.914 -0.025 0.000 2.626 929 V HA -0.207 3.914 4.120 0.001 0.000 0.252 929 V C 0.872 177.025 176.094 0.099 0.000 1.067 929 V CA 1.729 64.050 62.300 0.035 0.000 1.081 929 V CB -0.834 30.954 31.823 -0.057 0.000 0.686 929 V HN 0.299 nan 8.190 nan 0.000 0.468 930 N N 0.578 119.341 118.700 0.105 0.000 2.706 930 N HA 0.212 4.953 4.740 0.001 0.000 0.240 930 N C 0.668 176.282 175.510 0.174 0.000 1.039 930 N CA -0.288 52.864 53.050 0.170 0.000 0.888 930 N CB 0.991 39.571 38.487 0.154 0.000 1.128 930 N HN -0.007 nan 8.380 nan 0.000 0.512 931 I N 1.298 121.951 120.570 0.139 0.000 2.286 931 I HA -0.196 3.974 4.170 0.001 0.000 0.248 931 I C 1.469 177.589 176.117 0.004 0.000 1.115 931 I CA 0.985 62.296 61.300 0.020 0.000 1.392 931 I CB -0.764 37.164 38.000 -0.121 0.000 1.065 931 I HN 0.531 nan 8.210 nan 0.000 0.418 932 W N 0.789 122.146 121.300 0.095 0.000 2.338 932 W HA -0.230 4.430 4.660 0.001 0.000 0.304 932 W C 2.521 179.096 176.519 0.093 0.000 1.212 932 W CA 0.598 58.020 57.345 0.128 0.000 1.264 932 W CB -0.843 28.789 29.460 0.286 0.000 1.142 932 W HN 0.084 nan 8.180 nan 0.000 0.512 933 L N 0.165 121.565 121.223 0.294 0.000 2.046 933 L HA -0.137 4.204 4.340 0.001 0.000 0.208 933 L C 2.106 179.032 176.870 0.092 0.000 1.077 933 L CA 1.816 56.740 54.840 0.141 0.000 0.747 933 L CB -1.042 41.062 42.059 0.076 0.000 0.896 933 L HN 0.017 nan 8.230 nan 0.000 0.432 934 L N -0.842 120.435 121.223 0.090 0.000 2.083 934 L HA -0.140 4.201 4.340 0.001 0.000 0.209 934 L C 2.494 179.393 176.870 0.048 0.000 1.083 934 L CA 1.268 56.146 54.840 0.064 0.000 0.752 934 L CB -1.406 40.696 42.059 0.071 0.000 0.899 934 L HN 0.474 nan 8.230 nan 0.000 0.433 935 G N -0.197 108.632 108.800 0.049 0.000 2.418 935 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 935 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 935 G C 1.820 176.761 174.900 0.068 0.000 1.158 935 G CA 1.003 46.125 45.100 0.036 0.000 0.771 935 G HN 0.500 nan 8.290 nan 0.000 0.545 936 S N 0.650 116.412 115.700 0.103 0.000 2.382 936 S HA -0.046 4.424 4.470 0.001 0.000 0.228 936 S C 2.359 176.994 174.600 0.058 0.000 1.027 936 S CA 1.138 59.391 58.200 0.087 0.000 0.991 936 S CB -0.400 62.850 63.200 0.083 0.000 0.823 936 S HN 0.330 nan 8.310 nan 0.000 0.469 937 I N 1.313 121.913 120.570 0.050 0.000 2.226 937 I HA -0.199 3.971 4.170 0.001 0.000 0.245 937 I C 2.644 178.794 176.117 0.055 0.000 1.100 937 I CA 1.073 62.402 61.300 0.048 0.000 1.374 937 I CB -0.639 37.384 38.000 0.039 0.000 1.057 937 I HN 0.426 nan 8.210 nan 0.000 0.413 938 C N 0.125 119.449 119.300 0.041 0.000 2.432 938 C HA -0.163 4.298 4.460 0.001 0.000 0.277 938 C C 2.730 177.746 174.990 0.044 0.000 1.249 938 C CA 0.440 59.474 59.018 0.027 0.000 1.725 938 C CB -0.956 26.787 27.740 0.004 0.000 2.028 938 C HN 0.485 nan 8.230 nan 0.000 0.477 939 L N 1.048 122.303 121.223 0.053 0.000 2.083 939 L HA -0.089 4.251 4.340 0.001 0.000 0.209 939 L C 2.548 179.477 176.870 0.099 0.000 1.083 939 L CA 1.889 56.770 54.840 0.067 0.000 0.752 939 L CB -0.686 41.411 42.059 0.064 0.000 0.899 939 L HN 0.224 nan 8.230 nan 0.000 0.433 940 S N -1.040 114.717 115.700 0.095 0.000 2.382 940 S HA -0.144 4.326 4.470 0.001 0.000 0.228 940 S C 1.894 176.620 174.600 0.211 0.000 1.027 940 S CA 1.462 59.736 58.200 0.123 0.000 0.991 940 S CB -0.211 63.040 63.200 0.084 0.000 0.823 940 S HN 0.347 nan 8.310 nan 0.000 0.469 941 M N 1.678 121.397 119.600 0.200 0.000 2.132 941 M HA -0.016 4.465 4.480 0.001 0.000 0.263 941 M C 2.484 179.028 176.300 0.407 0.000 1.065 941 M CA 1.418 56.902 55.300 0.306 0.000 1.122 941 M CB -1.878 30.842 32.600 0.200 0.000 1.365 941 M HN 0.460 nan 8.290 nan 0.000 0.411 942 S N 0.143 115.974 115.700 0.218 0.000 2.399 942 S HA -0.076 4.395 4.470 0.001 0.000 0.231 942 S C 2.018 176.783 174.600 0.276 0.000 1.022 942 S CA 0.914 59.221 58.200 0.177 0.000 0.983 942 S CB -0.851 62.387 63.200 0.063 0.000 0.803 942 S HN 0.476 nan 8.310 nan 0.000 0.480 943 L N 0.342 121.742 121.223 0.296 0.000 2.217 943 L HA 0.028 4.368 4.340 0.001 0.000 0.211 943 L C 2.787 179.907 176.870 0.417 0.000 1.107 943 L CA 1.397 56.453 54.840 0.359 0.000 0.783 943 L CB -0.513 41.768 42.059 0.370 0.000 0.919 943 L HN 0.399 nan 8.230 nan 0.000 0.442 944 H N -0.401 118.873 119.070 0.341 0.000 2.363 944 H HA -0.144 4.412 4.556 0.001 0.000 0.301 944 H C 1.946 177.379 175.328 0.175 0.000 1.074 944 H CA 1.693 57.891 56.048 0.249 0.000 1.354 944 H CB -0.060 29.868 29.762 0.277 0.000 1.397 944 H HN 0.137 nan 8.280 nan 0.000 0.516 945 F N -0.341 119.703 119.950 0.156 0.000 2.216 945 F HA -0.100 4.428 4.527 0.001 0.000 0.300 945 F C 2.365 178.263 175.800 0.163 0.000 1.085 945 F CA 0.910 59.020 58.000 0.183 0.000 1.326 945 F CB -0.500 38.636 39.000 0.226 0.000 1.027 945 F HN 0.228 nan 8.300 nan 0.000 0.497 946 L N 0.962 122.347 121.223 0.268 0.000 2.012 946 L HA -0.168 4.173 4.340 0.001 0.000 0.210 946 L C 2.093 178.964 176.870 0.002 0.000 1.073 946 L CA 1.791 56.723 54.840 0.153 0.000 0.748 946 L CB -0.701 41.448 42.059 0.149 0.000 0.891 946 L HN 0.295 nan 8.230 nan 0.000 0.431 947 I N -3.675 116.781 120.570 -0.191 0.000 3.564 947 I HA -0.049 4.121 4.170 0.001 0.000 0.294 947 I C 1.498 177.407 176.117 -0.347 0.000 1.289 947 I CA 0.670 61.727 61.300 -0.404 0.000 1.325 947 I CB -0.238 37.163 38.000 -0.999 0.000 1.039 947 I HN 0.206 nan 8.210 nan 0.000 0.474 948 L N -0.917 120.128 121.223 -0.296 0.000 2.470 948 L HA 0.145 4.486 4.340 0.001 0.000 0.219 948 L C 1.643 178.249 176.870 -0.441 0.000 1.071 948 L CA 0.655 55.239 54.840 -0.427 0.000 0.850 948 L CB 0.005 41.709 42.059 -0.591 0.000 1.040 948 L HN 0.236 nan 8.230 nan 0.000 0.475 949 Y N -1.392 118.880 120.300 -0.047 0.000 2.664 949 Y HA 0.158 4.709 4.550 0.001 0.000 0.278 949 Y C 1.076 176.978 175.900 0.002 0.000 1.130 949 Y CA -0.327 57.774 58.100 0.002 0.000 1.260 949 Y CB 0.575 39.069 38.460 0.056 0.000 1.369 949 Y HN -0.341 nan 8.280 nan 0.000 0.499 950 V N 3.431 123.434 119.914 0.148 0.000 2.377 950 V HA -0.093 4.028 4.120 0.001 0.000 0.254 950 V C 0.565 176.690 176.094 0.052 0.000 1.060 950 V CA -0.142 62.214 62.300 0.093 0.000 1.068 950 V CB -0.385 31.486 31.823 0.079 0.000 1.113 950 V HN 0.432 nan 8.190 nan 0.000 0.484 951 D N 5.832 126.262 120.400 0.050 0.000 3.523 951 D HA -0.266 4.374 4.640 0.001 0.000 0.258 951 D C -0.319 175.990 176.300 0.014 0.000 1.189 951 D CA 2.473 56.490 54.000 0.028 0.000 0.935 951 D CB -1.429 39.388 40.800 0.028 0.000 1.003 951 D HN 0.497 nan 8.370 nan 0.000 0.545 952 P HA -0.069 nan 4.420 nan 0.000 0.216 952 P C 2.009 179.317 177.300 0.013 0.000 1.153 952 P CA 0.810 63.915 63.100 0.010 0.000 0.848 952 P CB -0.143 31.567 31.700 0.016 0.000 0.787 953 L N -0.801 120.444 121.223 0.037 0.000 2.017 953 L HA -0.082 4.258 4.340 0.001 0.000 0.208 953 L C -0.316 176.624 176.870 0.117 0.000 1.073 953 L CA 1.832 56.735 54.840 0.105 0.000 0.745 953 L CB -2.432 39.663 42.059 0.060 0.000 0.894 953 L HN 0.005 nan 8.230 nan 0.000 0.432 954 P HA -0.255 nan 4.420 nan 0.000 0.217 954 P C 1.857 179.143 177.300 -0.024 0.000 1.151 954 P CA 1.777 64.849 63.100 -0.048 0.000 0.849 954 P CB -0.057 31.586 31.700 -0.094 0.000 0.787 955 M N -1.508 118.078 119.600 -0.024 0.000 2.156 955 M HA -0.103 4.378 4.480 0.001 0.000 0.264 955 M C 1.934 178.200 176.300 -0.057 0.000 1.067 955 M CA 1.788 57.065 55.300 -0.039 0.000 1.131 955 M CB -0.506 32.073 32.600 -0.036 0.000 1.368 955 M HN -0.170 nan 8.290 nan 0.000 0.416 956 I N -0.080 120.439 120.570 -0.085 0.000 2.163 956 I HA -0.300 3.871 4.170 0.001 0.000 0.243 956 I C 1.482 177.412 176.117 -0.312 0.000 1.085 956 I CA 1.514 62.679 61.300 -0.226 0.000 1.347 956 I CB -0.401 37.393 38.000 -0.343 0.000 1.044 956 I HN 0.196 nan 8.210 nan 0.000 0.408 957 F N 0.815 120.693 119.950 -0.120 0.000 2.797 957 F HA 0.092 4.620 4.527 0.001 0.000 0.302 957 F C 0.719 176.448 175.800 -0.118 0.000 1.130 957 F CA -0.032 57.891 58.000 -0.129 0.000 1.387 957 F CB -0.343 38.530 39.000 -0.212 0.000 1.107 957 F HN -0.151 nan 8.300 nan 0.000 0.577 958 K N 0.960 121.366 120.400 0.010 0.000 3.257 958 K HA -0.175 4.146 4.320 0.001 0.000 0.270 958 K C -1.104 175.452 176.600 -0.074 0.000 0.984 958 K CA 0.409 56.674 56.287 -0.037 0.000 0.739 958 K CB -1.762 30.716 32.500 -0.037 0.000 1.351 958 K HN 0.295 nan 8.250 nan 0.000 0.463 959 L N -0.683 120.484 121.223 -0.092 0.000 2.333 959 L HA 0.639 4.979 4.340 0.001 0.000 0.263 959 L C -0.080 176.668 176.870 -0.203 0.000 1.014 959 L CA -1.188 53.549 54.840 -0.172 0.000 0.820 959 L CB 2.110 44.049 42.059 -0.201 0.000 1.352 959 L HN -0.088 nan 8.230 nan 0.000 0.421 960 K N 1.153 121.397 120.400 -0.260 0.000 2.525 960 K HA 0.602 4.922 4.320 0.001 0.000 0.254 960 K C -1.090 175.321 176.600 -0.315 0.000 0.934 960 K CA -0.565 55.567 56.287 -0.260 0.000 0.802 960 K CB 2.345 34.724 32.500 -0.202 0.000 1.295 960 K HN 0.709 nan 8.250 nan 0.000 0.433 961 A N 4.649 127.244 122.820 -0.375 0.000 2.584 961 A HA 0.092 4.412 4.320 0.001 0.000 0.239 961 A C 0.298 177.753 177.584 -0.216 0.000 1.043 961 A CA 0.327 52.111 52.037 -0.423 0.000 0.756 961 A CB -0.287 18.335 19.000 -0.630 0.000 0.963 961 A HN 0.629 nan 8.150 nan 0.000 0.511 962 L N 1.896 122.999 121.223 -0.199 0.000 2.436 962 L HA 0.187 4.528 4.340 0.001 0.000 0.265 962 L C 0.745 177.670 176.870 0.091 0.000 1.168 962 L CA -0.609 54.131 54.840 -0.165 0.000 0.815 962 L CB 0.549 42.274 42.059 -0.557 0.000 1.109 962 L HN 0.797 nan 8.230 nan 0.000 0.462 963 D N 0.562 121.027 120.400 0.109 0.000 2.360 963 D HA 0.021 4.661 4.640 0.001 0.000 0.242 963 D C 0.692 177.168 176.300 0.294 0.000 1.184 963 D CA -0.279 53.836 54.000 0.192 0.000 0.930 963 D CB 1.036 41.931 40.800 0.158 0.000 1.161 963 D HN 0.322 nan 8.370 nan 0.000 0.447 964 L N 1.783 123.169 121.223 0.273 0.000 2.042 964 L HA -0.146 4.195 4.340 0.001 0.000 0.210 964 L C 2.047 179.069 176.870 0.254 0.000 1.076 964 L CA 1.980 56.986 54.840 0.276 0.000 0.749 964 L CB -0.857 41.313 42.059 0.185 0.000 0.893 964 L HN 0.543 nan 8.230 nan 0.000 0.432 965 T N -0.986 113.691 114.554 0.206 0.000 2.746 965 T HA -0.210 4.140 4.350 0.001 0.000 0.267 965 T C 1.807 176.631 174.700 0.207 0.000 1.039 965 T CA 1.723 63.939 62.100 0.193 0.000 1.142 965 T CB -0.218 68.763 68.868 0.187 0.000 0.866 965 T HN 0.481 nan 8.240 nan 0.000 0.444 966 Q N -0.596 119.332 119.800 0.214 0.000 2.167 966 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 966 Q C 2.011 178.021 176.000 0.016 0.000 0.970 966 Q CA 1.080 56.976 55.803 0.154 0.000 0.855 966 Q CB -0.190 28.629 28.738 0.135 0.000 0.911 966 Q HN 0.629 nan 8.270 nan 0.000 0.438 967 W N 0.092 121.430 121.300 0.064 0.000 2.402 967 W HA -0.128 4.533 4.660 0.001 0.000 0.286 967 W C 1.569 178.102 176.519 0.023 0.000 1.221 967 W CA 0.131 57.504 57.345 0.047 0.000 1.257 967 W CB 0.143 29.657 29.460 0.090 0.000 1.120 967 W HN 0.150 nan 8.180 nan 0.000 0.551 968 L N -0.762 120.616 121.223 0.258 0.000 2.156 968 L HA -0.176 4.165 4.340 0.001 0.000 0.208 968 L C 2.337 179.224 176.870 0.027 0.000 1.095 968 L CA 1.527 56.451 54.840 0.141 0.000 0.770 968 L CB -1.151 40.977 42.059 0.115 0.000 0.914 968 L HN -0.001 nan 8.230 nan 0.000 0.439 969 M N -1.339 118.214 119.600 -0.078 0.000 2.175 969 M HA -0.113 4.368 4.480 0.001 0.000 0.264 969 M C 2.143 178.302 176.300 -0.235 0.000 1.063 969 M CA 1.547 56.666 55.300 -0.302 0.000 1.119 969 M CB -0.395 31.756 32.600 -0.747 0.000 1.377 969 M HN 0.008 nan 8.290 nan 0.000 0.415 970 V N 0.367 120.199 119.914 -0.138 0.000 2.282 970 V HA -0.318 3.802 4.120 0.001 0.000 0.249 970 V C 2.410 178.520 176.094 0.028 0.000 1.057 970 V CA 2.101 64.358 62.300 -0.073 0.000 1.032 970 V CB -0.869 30.912 31.823 -0.069 0.000 0.645 970 V HN 0.538 nan 8.190 nan 0.000 0.447 971 L N -0.813 120.473 121.223 0.104 0.000 2.141 971 L HA -0.180 4.161 4.340 0.001 0.000 0.209 971 L C 2.567 179.465 176.870 0.046 0.000 1.094 971 L CA 1.545 56.447 54.840 0.103 0.000 0.763 971 L CB -0.650 41.484 42.059 0.125 0.000 0.908 971 L HN 0.298 nan 8.230 nan 0.000 0.437 972 K N 0.130 120.530 120.400 -0.000 0.000 2.057 972 K HA -0.158 4.163 4.320 0.001 0.000 0.207 972 K C 2.041 178.634 176.600 -0.011 0.000 1.049 972 K CA 1.390 57.664 56.287 -0.021 0.000 0.931 972 K CB -0.047 32.408 32.500 -0.074 0.000 0.714 972 K HN 0.222 nan 8.250 nan 0.000 0.440 973 I N 0.091 120.637 120.570 -0.040 0.000 3.226 973 I HA -0.125 4.046 4.170 0.001 0.000 0.277 973 I C 1.520 177.693 176.117 0.093 0.000 1.243 973 I CA 0.583 61.874 61.300 -0.016 0.000 1.459 973 I CB 0.377 38.301 38.000 -0.125 0.000 1.093 973 I HN -0.010 nan 8.210 nan 0.000 0.453 974 S N 0.316 116.067 115.700 0.085 0.000 2.398 974 S HA 0.063 4.534 4.470 0.001 0.000 0.220 974 S C 1.786 176.465 174.600 0.133 0.000 1.046 974 S CA 0.343 58.622 58.200 0.131 0.000 0.953 974 S CB -0.158 63.098 63.200 0.094 0.000 0.856 974 S HN 0.234 nan 8.310 nan 0.000 0.506 975 L N 2.393 123.670 121.223 0.089 0.000 2.081 975 L HA -0.071 4.270 4.340 0.001 0.000 0.212 975 L C -0.981 175.905 176.870 0.028 0.000 1.080 975 L CA 1.787 56.663 54.840 0.058 0.000 0.754 975 L CB -2.476 39.613 42.059 0.050 0.000 0.893 975 L HN 0.256 nan 8.230 nan 0.000 0.433 976 P HA -0.081 nan 4.420 nan 0.000 0.236 976 P C 1.896 179.071 177.300 -0.208 0.000 1.172 976 P CA 0.585 63.660 63.100 -0.043 0.000 0.759 976 P CB -0.034 31.676 31.700 0.017 0.000 0.843 977 V N -0.112 119.685 119.914 -0.194 0.000 2.515 977 V HA -0.196 3.925 4.120 0.001 0.000 0.250 977 V C 2.268 178.273 176.094 -0.147 0.000 1.058 977 V CA 1.234 63.360 62.300 -0.291 0.000 1.064 977 V CB -0.774 30.994 31.823 -0.091 0.000 0.675 977 V HN -0.039 nan 8.190 nan 0.000 0.461 978 I N 0.445 120.974 120.570 -0.069 0.000 2.127 978 I HA -0.173 3.998 4.170 0.001 0.000 0.241 978 I C 2.614 178.703 176.117 -0.047 0.000 1.075 978 I CA 1.763 63.042 61.300 -0.035 0.000 1.334 978 I CB -1.058 36.935 38.000 -0.011 0.000 1.040 978 I HN 0.420 nan 8.210 nan 0.000 0.405 979 G N 1.000 109.762 108.800 -0.062 0.000 2.440 979 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 979 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 979 G C 1.645 176.505 174.900 -0.066 0.000 1.154 979 G CA 0.889 45.955 45.100 -0.057 0.000 0.767 979 G HN 0.267 nan 8.290 nan 0.000 0.552 980 L N 0.830 121.974 121.223 -0.131 0.000 2.017 980 L HA -0.007 4.334 4.340 0.001 0.000 0.208 980 L C 2.183 179.019 176.870 -0.057 0.000 1.073 980 L CA 2.656 57.416 54.840 -0.133 0.000 0.745 980 L CB -0.728 41.156 42.059 -0.291 0.000 0.894 980 L HN 0.210 nan 8.230 nan 0.000 0.432 981 D N -1.087 119.281 120.400 -0.054 0.000 2.144 981 D HA -0.191 4.450 4.640 0.001 0.000 0.200 981 D C 2.076 178.408 176.300 0.053 0.000 0.978 981 D CA 0.829 54.829 54.000 -0.000 0.000 0.833 981 D CB 0.141 40.945 40.800 0.008 0.000 0.961 981 D HN 0.370 nan 8.370 nan 0.000 0.470 982 E N -0.114 120.109 120.200 0.038 0.000 2.085 982 E HA -0.139 4.212 4.350 0.001 0.000 0.194 982 E C 2.097 178.772 176.600 0.124 0.000 0.994 982 E CA 0.887 57.326 56.400 0.065 0.000 0.801 982 E CB -0.182 29.534 29.700 0.026 0.000 0.743 982 E HN 0.399 nan 8.360 nan 0.000 0.453 983 I N -0.113 120.519 120.570 0.104 0.000 2.179 983 I HA -0.280 3.891 4.170 0.001 0.000 0.242 983 I C 2.133 178.429 176.117 0.298 0.000 1.088 983 I CA 0.926 62.324 61.300 0.163 0.000 1.357 983 I CB -0.246 37.815 38.000 0.102 0.000 1.051 983 I HN 0.122 nan 8.210 nan 0.000 0.409 984 L N 0.301 121.688 121.223 0.273 0.000 2.131 984 L HA -0.200 4.141 4.340 0.001 0.000 0.210 984 L C 2.474 179.630 176.870 0.476 0.000 1.092 984 L CA 1.339 56.441 54.840 0.437 0.000 0.759 984 L CB -0.554 41.644 42.059 0.232 0.000 0.903 984 L HN 0.180 nan 8.230 nan 0.000 0.435 985 K N -0.575 120.000 120.400 0.292 0.000 2.097 985 K HA -0.162 4.159 4.320 0.001 0.000 0.205 985 K C 2.069 178.784 176.600 0.191 0.000 1.050 985 K CA 1.234 57.652 56.287 0.219 0.000 0.938 985 K CB -0.164 32.421 32.500 0.142 0.000 0.718 985 K HN 0.101 nan 8.250 nan 0.000 0.442 986 F N 1.745 121.751 119.950 0.093 0.000 2.134 986 F HA -0.151 4.376 4.527 0.001 0.000 0.299 986 F C 1.787 177.613 175.800 0.043 0.000 1.097 986 F CA 1.273 59.304 58.000 0.052 0.000 1.264 986 F CB -0.030 39.014 39.000 0.072 0.000 1.001 986 F HN -0.106 nan 8.300 nan 0.000 0.479 987 I N -0.050 120.650 120.570 0.217 0.000 2.315 987 I HA -0.252 3.919 4.170 0.001 0.000 0.248 987 I C 2.633 178.596 176.117 -0.257 0.000 1.117 987 I CA 1.074 62.435 61.300 0.102 0.000 1.404 987 I CB -0.825 37.254 38.000 0.131 0.000 1.071 987 I HN 0.208 nan 8.210 nan 0.000 0.419 988 A N 0.782 123.437 122.820 -0.275 0.000 1.930 988 A HA -0.168 4.152 4.320 0.001 0.000 0.217 988 A C 2.391 179.819 177.584 -0.260 0.000 1.175 988 A CA 1.363 53.183 52.037 -0.361 0.000 0.627 988 A CB -0.445 18.508 19.000 -0.078 0.000 0.815 988 A HN 0.304 nan 8.150 nan 0.000 0.443 989 R N -0.796 119.553 120.500 -0.250 0.000 2.073 989 R HA -0.044 4.297 4.340 0.001 0.000 0.229 989 R C 1.712 177.777 176.300 -0.391 0.000 1.120 989 R CA 1.671 57.607 56.100 -0.272 0.000 0.967 989 R CB -0.240 29.910 30.300 -0.249 0.000 0.862 989 R HN 0.584 nan 8.270 nan 0.000 0.436 990 N N -1.064 117.261 118.700 -0.624 0.000 2.387 990 N HA -0.035 4.706 4.740 0.001 0.000 0.176 990 N C 0.323 175.361 175.510 -0.787 0.000 1.022 990 N CA 0.773 53.315 53.050 -0.847 0.000 0.883 990 N CB 0.296 37.954 38.487 -1.382 0.000 1.019 990 N HN 0.165 nan 8.380 nan 0.000 0.435 991 Y N -0.166 119.953 120.300 -0.301 0.000 2.607 991 Y HA 0.463 5.013 4.550 0.001 0.000 0.266 991 Y C -0.197 175.545 175.900 -0.263 0.000 1.178 991 Y CA -0.121 57.828 58.100 -0.253 0.000 1.226 991 Y CB 0.384 38.696 38.460 -0.246 0.000 1.144 991 Y HN -0.115 nan 8.280 nan 0.000 0.528 992 L N 1.206 122.319 121.223 -0.183 0.000 2.551 992 L HA 0.288 4.628 4.340 0.001 0.000 0.248 992 L C -0.524 176.267 176.870 -0.132 0.000 1.509 992 L CA -0.355 54.386 54.840 -0.165 0.000 0.842 992 L CB 0.550 42.471 42.059 -0.231 0.000 1.087 992 L HN 0.015 nan 8.230 nan 0.000 0.512 993 E N 0.947 121.079 120.200 -0.112 0.000 2.383 993 E HA 0.260 4.611 4.350 0.001 0.000 0.264 993 E C 0.546 177.108 176.600 -0.063 0.000 1.050 993 E CA -0.009 56.335 56.400 -0.092 0.000 0.896 993 E CB 1.582 31.231 29.700 -0.086 0.000 0.982 993 E HN 0.428 nan 8.360 nan 0.000 0.424 994 G N 0.000 108.769 108.800 -0.052 0.000 5.446 994 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 994 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925